G4VEL6_SCHMA Loading...

Farnesyl pyrophosphate synthase

AlphaFold DB , UniProt , Accession G4VEL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 386 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
1M54Low75Confident75 Ų7564.3 Ų64.337%0.36933%0.327SS..  0111.70-118.9-176.8174.800102.9T3 D5 F368 D372M1-T3 PolarHBondContact O-N 3.23Å; M1-D5 HydrophobicContact CB-CB 3.89Å; M1-D5 HydrophobicContact CE-CB 4.31Å; M1-D5 HydrophobicContact CG-CB 3.62Å; M1-D5 HydrophobicContact SD-CB 3.79Å; M1-F368 HydrophobicContact CB-CD1 3.76Å; M1-F368 HydrophobicContact CB-CE1 4.35Å; M1-F368 HydrophobicContact CB-CG 4.48Å; M1-F368 HydrophobicContact CE-CD1 4.32Å; M1-F368 HydrophobicContact CE-CE1 3.46Å; M1-F368 VanDerWaalsContact CE-CE1 3.46Å; M1-F368 HydrophobicContact CE-CZ 3.81Å; M1-F368 HydrophobicContact CG-CD1 3.45Å; M1-F368 VanDerWaalsContact CG-CD1 3.45Å; M1-F368 HydrophobicContact CG-CE1 3.53Å; M1-F368 HydrophobicContact CG-CG 4.48Å; M1-F368 HydrophobicContact SD-CD1 3.53Å; M1-F368 VanDerWaalsContact SD-CD1 3.53Å; M1-F368 HydrophobicContact SD-CE1 3.25Å; M1-F368 WeakPolarHBondContact SD-CE1 3.39Å; M1-F368 HydrophobicContact SD-CE2 4.5Å; M1-F368 HydrophobicContact SD-CG 4.28Å; M1-F368 HydrophobicContact SD-CZ 3.78Å; M1-D372 VanDerWaalsContact C-OD2 3.3Å; M1-D372 PolarHBondContact N-OD2 3.2Å
2P57.5Low76.5Confident86 Ų8666 Ų6656%0.55833%0.333SS*.  trans-41.8141.3179.6-25.931.7000110.6S4 D5P2-S4 CarbonylContact O-C 3.6Å; P2-S4 PolarHBondContact O-N 3.15Å; P2-D5 WeakPolarHBondContact CD-OD2 3.43Å; P2-D5 WeakPolarHBondContact O-CB 3.48Å; P2-D5 PolarHBondContact O-N 2.92Å
3T57.2Low77.8Confident31 Ų3160.9 Ų60.919%0.1931%0.308CS..Hα-helixtrans-49.4-26.4-173.5-41.60000113.3M1 D5 I6 H7 T375 F376 E379M1-T3 PolarHBondContact O-N 3.23Å; T3-D5 VanDerWaalsContact C-N 3.27Å; T3-D5 PolarHBondContact O-N 3.28Å; T3-I6 HydrophobicContact CG2-CG2 4.09Å; T3-I6 VanDerWaalsContact O-CG2 3.31Å; T3-I6 WeakPolarHBondContact O-CG2 3.36Å; T3-I6 PolarHBondContact O-N 2.84Å; T3-H7 PolarHBondContact O-CD2 3.35Å; T3-H7 PolarHBondContact O-N 3.29Å; T3-T375 HydrophobicContact CG2-CG2 4.23Å; T3-F376 HydrophobicContact CG2-CB 4.46Å; T3-E379 WeakPolarHBondContact CG2-OE2 3.32Å
4S59.5Low79.1Confident73 Ų7360.6 Ų60.651%0.5130%0.303SS..Hα-helixtrans-53.9-39169.854.80000114.5P2 H7 I8P2-S4 CarbonylContact O-C 3.6Å; P2-S4 PolarHBondContact O-N 3.15Å; S4-H7 PolarHBondContact O-N 3.27Å; S4-I8 PolarHBondContact O-N 3.18Å
5D78Confident80.2Confident60 Ų6064.8 Ų64.832%0.32132%0.321SS..Hα-helixtrans-74.7-34.8-176.6-64.2-6.5000111M1 P2 T3 H7 I8 K9M1-D5 HydrophobicContact CB-CB 3.89Å; M1-D5 HydrophobicContact CE-CB 4.31Å; M1-D5 HydrophobicContact CG-CB 3.62Å; M1-D5 HydrophobicContact SD-CB 3.79Å; P2-D5 WeakPolarHBondContact CD-OD2 3.43Å; P2-D5 WeakPolarHBondContact O-CB 3.48Å; P2-D5 PolarHBondContact O-N 2.92Å; T3-D5 VanDerWaalsContact C-N 3.27Å; T3-D5 PolarHBondContact O-N 3.28Å; D5-H7 VanDerWaalsContact C-N 3.31Å; D5-H7 PolarHBondContact O-N 2.97Å; D5-I8 PolarHBondContact O-N 2.95Å; D5-K9 WeakPolarHBondContact O-CB 3.41Å; D5-K9 PolarHBondContact O-N 3.35Å
6I82.9Confident81.1Confident9 Ų964.3 Ų64.35%0.04632%0.32CS..Hα-helixtrans-69.9-29.9177.4-150.8179.6000111.6T3 K9 Y10 L373 F376T3-I6 HydrophobicContact CG2-CG2 4.09Å; T3-I6 VanDerWaalsContact O-CG2 3.31Å; T3-I6 WeakPolarHBondContact O-CG2 3.36Å; T3-I6 PolarHBondContact O-N 2.84Å; I6-K9 PolarHBondContact O-N 2.77Å; I6-Y10 VanDerWaalsContact O-CB 3.29Å; I6-Y10 WeakPolarHBondContact O-CB 3.43Å; I6-Y10 PolarHBondContact O-N 2.85Å; I6-L373 HydrophobicContact CD1-CB 4.08Å; I6-L373 HydrophobicContact CD1-CD1 3.87Å; I6-F376 HydrophobicContact CD1-CB 4.17Å; I6-F376 HydrophobicContact CD1-CD1 4.46Å; I6-F376 HydrophobicContact CD1-CG 4.4Å; I6-F376 HydrophobicContact CG2-CB 3.5Å; I6-F376 HydrophobicContact CG2-CD2 3.77Å; I6-F376 HydrophobicContact CG2-CG 3.71Å
7H83.7Confident82Confident49 Ų4960.5 Ų60.523%0.22730%0.302CS..Hα-helixtrans-64.6-43.3171.4-81.4-72.1000112.5T3 S4 D5 K9 Y10 R11 F376 E379T3-H7 PolarHBondContact O-CD2 3.35Å; T3-H7 PolarHBondContact O-N 3.29Å; S4-H7 PolarHBondContact O-N 3.27Å; D5-H7 VanDerWaalsContact C-N 3.31Å; D5-H7 PolarHBondContact O-N 2.97Å; H7-K9 VanDerWaalsContact C-N 3.34Å; H7-Y10 PolarHBondContact O-N 2.77Å; H7-R11 PolarHBondContact O-N 3.02Å; H7-F376 AromaticContact CE1-CD2 3.58Å; H7-F376 AromaticContact CE1-CE2 3.69Å; H7-F376 AromaticContact ND1-CD2 3.79Å; H7-F376 AromaticContact ND1-CE2 3.55Å; H7-F376 AromaticContact NE2-CD2 3.93Å; H7-E379 IonicContact CD2-OE2 2.93Å; H7-E379 IonicContact CE1-OE2 2.96Å; H7-E379 IonicContact NE2-OE2 3.81Å; H7-E379 PolarHBondContact NE2-OE2 2.94Å
8I82.7Confident82.7Confident96 Ų9660.7 Ų60.749%0.49230%0.301SS..Hα-helixtrans-63.6-46.2174.7-64.4170.9000109.3S4 D5 Y10 R11 E12S4-I8 PolarHBondContact O-N 3.18Å; D5-I8 PolarHBondContact O-N 2.95Å; I8-Y10 VanDerWaalsContact C-N 3.33Å; I8-Y10 PolarHBondContact O-N 3.43Å; I8-R11 PolarHBondContact O-N 3.22Å; I8-E12 PolarHBondContact O-N 3.07Å
9K86.7Confident83.3Confident37 Ų3763.1 Ų63.116%0.16132%0.315CS..Hα-helixtrans-62.1-39.2178.6-164.372.3-144.11730112.4D5 I6 H7 R11 E12 V13 L64 M67D5-K9 WeakPolarHBondContact O-CB 3.41Å; D5-K9 PolarHBondContact O-N 3.35Å; I6-K9 PolarHBondContact O-N 2.77Å; H7-K9 VanDerWaalsContact C-N 3.34Å; K9-R11 VanDerWaalsContact C-N 3.34Å; K9-R11 PolarHBondContact O-N 3.44Å; K9-E12 WeakPolarHBondContact CE-OE2 3.34Å; K9-E12 IonicContact NZ-OE1 3.31Å; K9-E12 PolarHBondContact NZ-OE1 3.19Å; K9-E12 IonicContact NZ-OE2 3.76Å; K9-E12 PolarHBondContact NZ-OE2 2.8Å; K9-E12 PolarHBondContact O-N 3.46Å; K9-V13 HydrophobicContact CG-CG2 4.08Å; K9-V13 VanDerWaalsContact O-CB 3.3Å; K9-V13 WeakPolarHBondContact O-CB 3.42Å; K9-V13 VanDerWaalsContact O-CG2 3.23Å; K9-V13 WeakPolarHBondContact O-CG2 3.46Å; K9-V13 PolarHBondContact O-N 2.87Å; K9-L64 HydrophobicContact CG-CD2 4.23Å; K9-M67 HydrophobicContact CD-CE 4.07Å; K9-M67 HydrophobicContact CD-SD 4.46Å; K9-M67 HydrophobicContact CG-SD 4.43Å
10Y91.2Very high83.8Confident31 Ų3162.8 Ų62.812%0.12231%0.311CS..Hα-helixtrans-58.6-44.5176.7168.4-105.7000111.6I6 H7 I8 V13 K14 V60 L64 F376I6-Y10 VanDerWaalsContact O-CB 3.29Å; I6-Y10 WeakPolarHBondContact O-CB 3.43Å; I6-Y10 PolarHBondContact O-N 2.85Å; H7-Y10 PolarHBondContact O-N 2.77Å; I8-Y10 VanDerWaalsContact C-N 3.33Å; I8-Y10 PolarHBondContact O-N 3.43Å; Y10-V13 PolarHBondContact O-N 3.23Å; Y10-K14 HydrophobicContact CE1-CD 4.45Å; Y10-K14 WeakPolarHBondContact O-CB 3.46Å; Y10-K14 PolarHBondContact O-N 3.28Å; Y10-V60 HydrophobicContact CD2-CG1 3.47Å; Y10-V60 VanDerWaalsContact CD2-CG1 3.47Å; Y10-V60 HydrophobicContact CE2-CB 4.27Å; Y10-V60 HydrophobicContact CE2-CG1 3.54Å; Y10-L64 HydrophobicContact CD2-CD1 3.98Å; Y10-F376 HydrophobicContact CD1-CE2 4.41Å; Y10-F376 AromaticContact CD1-CZ 3.96Å; Y10-F376 HydrophobicContact CD1-CZ 3.96Å; Y10-F376 AromaticContact CD2-CE1 3.98Å; Y10-F376 HydrophobicContact CD2-CE1 3.98Å; Y10-F376 AromaticContact CD2-CZ 3.5Å; Y10-F376 HydrophobicContact CD2-CZ 3.5Å; Y10-F376 VanDerWaalsContact CD2-CZ 3.5Å; Y10-F376 HydrophobicContact CE2-CZ 4.1Å; Y10-F376 HydrophobicContact CG-CE1 4.27Å; Y10-F376 HydrophobicContact CG-CE2 4.12Å; Y10-F376 AromaticContact CG-CZ 3.41Å; Y10-F376 HydrophobicContact CG-CZ 3.41Å; Y10-F376 VanDerWaalsContact CG-CZ 3.41Å
11R91.4Very high84.2Confident160 Ų16061.8 Ų61.860%0.60430%0.304SS*.Hα-helixtrans-62.7-47.2177.5-70.2-170.9-69.8-118.80.2112H7 I8 K9 K14 E15H7-R11 PolarHBondContact O-N 3.02Å; I8-R11 PolarHBondContact O-N 3.22Å; K9-R11 VanDerWaalsContact C-N 3.34Å; K9-R11 PolarHBondContact O-N 3.44Å; R11-K14 PolarHBondContact O-N 3.04Å; R11-E15 PolarHBondContact O-N 2.91Å
12E92.6Very high86Confident85 Ų8563.6 Ų63.640%0.39732%0.316SS..Hα-helixtrans-61.8-45.2177.1-174-159.8144.800111.8I8 K9 K14 N16I8-E12 PolarHBondContact O-N 3.07Å; K9-E12 WeakPolarHBondContact CE-OE2 3.34Å; K9-E12 IonicContact NZ-OE1 3.31Å; K9-E12 PolarHBondContact NZ-OE1 3.19Å; K9-E12 IonicContact NZ-OE2 3.76Å; K9-E12 PolarHBondContact NZ-OE2 2.8Å; K9-E12 PolarHBondContact O-N 3.46Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-N16 WeakPolarHBondContact O-CB 3.49Å; E12-N16 PolarHBondContact O-N 3.12Å; E12-N16 VanDerWaalsContact O-N 3.09Å; E12-N16 PolarHBondContact O-ND2 3.16Å
13V94.1Very high87.5Confident0 Ų062.7 Ų62.70%031%0.309CS..Hα-helixtrans-65.8-40.1179169.50000110.7K9 Y10 N16 F17 V60 V63 L64 M67 Y84K9-V13 HydrophobicContact CG-CG2 4.08Å; K9-V13 VanDerWaalsContact O-CB 3.3Å; K9-V13 WeakPolarHBondContact O-CB 3.42Å; K9-V13 VanDerWaalsContact O-CG2 3.23Å; K9-V13 WeakPolarHBondContact O-CG2 3.46Å; K9-V13 PolarHBondContact O-N 2.87Å; Y10-V13 PolarHBondContact O-N 3.23Å; V13-N16 PolarHBondContact O-N 2.95Å; V13-F17 WeakPolarHBondContact O-CB 3.47Å; V13-F17 PolarHBondContact O-N 3.36Å; V13-V60 HydrophobicContact CG1-CG1 3.9Å; V13-V63 HydrophobicContact CG1-CB 3.57Å; V13-V63 HydrophobicContact CG1-CG1 3.56Å; V13-V63 HydrophobicContact CG1-CG2 4.23Å; V13-V63 HydrophobicContact CG2-CG1 4.36Å; V13-L64 HydrophobicContact CB-CD2 4.3Å; V13-L64 HydrophobicContact CG1-CD2 4.46Å; V13-L64 HydrophobicContact CG1-CG 4.48Å; V13-L64 HydrophobicContact CG2-CD2 4.03Å; V13-M67 HydrophobicContact CG2-SD 3.87Å; V13-Y84 HydrophobicContact CG1-CE1 4.42Å
14K95.5Very high89.1Confident56 Ų5661.3 Ų61.324%0.24330%0.3CS..Hα-helixtrans-63.2-47.9178.2-176.5176.6-179.9-171.60111.6Y10 R11 E12 N16 F17 E18 V60Y10-K14 HydrophobicContact CE1-CD 4.45Å; Y10-K14 WeakPolarHBondContact O-CB 3.46Å; Y10-K14 PolarHBondContact O-N 3.28Å; R11-K14 PolarHBondContact O-N 3.04Å; E12-K14 VanDerWaalsContact C-N 3.34Å; K14-N16 PolarHBondContact O-N 3.1Å; K14-F17 PolarHBondContact O-N 3.39Å; K14-E18 WeakPolarHBondContact CE-OE1 3.39Å; K14-E18 WeakPolarHBondContact O-CB 3.46Å; K14-E18 VanDerWaalsContact O-CG 3.31Å; K14-E18 WeakPolarHBondContact O-CG 3.43Å; K14-E18 PolarHBondContact O-N 3.44Å; K14-V60 HydrophobicContact CB-CG2 4.01Å; K14-V60 HydrophobicContact CG-CG2 4.07Å
15E95.6Very high90.5Very high124 Ų12458.6 Ų58.658%0.57928%0.281SS*.Hα-helixtrans-58.7-47.8176.9-176.6178.9-176.800111.3R11 F17 E18 N19R11-E15 PolarHBondContact O-N 2.91Å; E15-F17 PolarHBondContact O-N 3.08Å; E15-E18 PolarHBondContact O-N 3.3Å; E15-N19 VanDerWaalsContact O-CG 3.31Å; E15-N19 PolarHBondContact O-N 2.93Å; E15-N19 PolarHBondContact O-ND2 3.45Å
16N95Very high90.8Very high57 Ų5759.9 Ų59.931%0.30529%0.287SS..Hα-helixtrans-64.3-40.3177-73.7-44.5000112.8E12 V13 K14 E18 N19 Y20 Y84E12-N16 WeakPolarHBondContact O-CB 3.49Å; E12-N16 PolarHBondContact O-N 3.12Å; E12-N16 VanDerWaalsContact O-N 3.09Å; E12-N16 PolarHBondContact O-ND2 3.16Å; V13-N16 PolarHBondContact O-N 2.95Å; K14-N16 PolarHBondContact O-N 3.1Å; N16-E18 VanDerWaalsContact C-N 3.32Å; N16-E18 PolarHBondContact O-N 3.34Å; N16-N19 WeakPolarHBondContact O-CB 3.4Å; N16-N19 PolarHBondContact O-N 3.49Å; N16-Y20 WeakPolarHBondContact O-CD2 3.42Å; N16-Y20 PolarHBondContact O-N 2.96Å; N16-Y84 HydrophobicContact CB-CE1 4.03Å; N16-Y84 HydrophobicContact CB-CE2 4.33Å; N16-Y84 VanDerWaalsContact CB-OH 3.26Å; N16-Y84 WeakPolarHBondContact CB-OH 3.47Å
17F96Very high90.9Very high0 Ų061.3 Ų61.30%030%0.295CS..Hα-helixtrans-59.7-44175.8175.6-98.4000111.1V13 K14 E15 N19 Y20 R56 V60 V63 Y84 G87 W88 E91V13-F17 WeakPolarHBondContact O-CB 3.47Å; V13-F17 PolarHBondContact O-N 3.36Å; K14-F17 PolarHBondContact O-N 3.39Å; E15-F17 PolarHBondContact O-N 3.08Å; F17-N19 VanDerWaalsContact C-N 3.33Å; F17-N19 PolarHBondContact O-N 2.74Å; F17-Y20 PolarHBondContact O-N 3.49Å; F17-Y20 VanDerWaalsContact O-N 3.14Å; F17-R56 HydrophobicContact CE1-CB 4.04Å; F17-V60 HydrophobicContact CB-CG2 4.14Å; F17-V60 HydrophobicContact CD1-CG2 3.92Å; F17-V60 HydrophobicContact CG-CG2 4.06Å; F17-V63 HydrophobicContact CD2-CG2 4.35Å; F17-Y84 HydrophobicContact CB-CD1 3.95Å; F17-Y84 HydrophobicContact CB-CE1 4.11Å; F17-Y84 HydrophobicContact CD2-CD1 4.04Å; F17-Y84 WeakPolarHBondContact CE2-O 3.42Å; F17-G87 VanDerWaalsContact CE2-C 3.47Å; F17-W88 HydrophobicContact CD1-CZ2 4.07Å; F17-W88 AromaticContact CE1-CD2 3.96Å; F17-W88 HydrophobicContact CE1-CD2 3.96Å; F17-W88 AromaticContact CE1-CE2 3.6Å; F17-W88 HydrophobicContact CE1-CE3 4.29Å; F17-W88 AromaticContact CE1-CH2 4Å; F17-W88 HydrophobicContact CE1-CH2 4Å; F17-W88 AromaticContact CE1-CZ2 3.62Å; F17-W88 HydrophobicContact CE1-CZ2 3.62Å; F17-W88 HydrophobicContact CE1-CZ3 4.31Å; F17-W88 AromaticContact CE1-NE1 4Å; F17-W88 HydrophobicContact CE2-CB 4.49Å; F17-W88 AromaticContact CE2-CD1 3.62Å; F17-W88 HydrophobicContact CE2-CD2 4.12Å; F17-W88 AromaticContact CE2-CG 3.85Å; F17-W88 HydrophobicContact CE2-CG 3.85Å; F17-W88 AromaticContact CE2-NE1 3.74Å; F17-W88 HydrophobicContact CZ-CB 4.43Å; F17-W88 AromaticContact CZ-CD1 3.83Å; F17-W88 AromaticContact CZ-CD2 3.5Å; F17-W88 HydrophobicContact CZ-CD2 3.5Å; F17-W88 AromaticContact CZ-CE2 3.54Å; F17-W88 AromaticContact CZ-CE3 4Å; F17-W88 HydrophobicContact CZ-CE3 4Å; F17-W88 AromaticContact CZ-CG 3.7Å; F17-W88 HydrophobicContact CZ-CG 3.7Å; F17-W88 HydrophobicContact CZ-CH2 4.5Å; F17-W88 HydrophobicContact CZ-CZ2 4.06Å; F17-W88 HydrophobicContact CZ-CZ3 4.46Å; F17-W88 AromaticContact CZ-NE1 3.72Å; F17-W88 PolarHBondContact O-NE1 3Å; F17-E91 HydrophobicContact CE1-CG 4.29Å; F17-E91 HydrophobicContact CZ-CG 3.96Å
18E94.8Very high91Very high63 Ų6359.8 Ų59.829%0.29429%0.288SS..Hα-helixtrans-64.1-36.6177.2-71.2178.8165.200112.3K14 E15 N16 Y20 F21 R56K14-E18 WeakPolarHBondContact CE-OE1 3.39Å; K14-E18 WeakPolarHBondContact O-CB 3.46Å; K14-E18 VanDerWaalsContact O-CG 3.31Å; K14-E18 WeakPolarHBondContact O-CG 3.43Å; K14-E18 PolarHBondContact O-N 3.44Å; E15-E18 PolarHBondContact O-N 3.3Å; N16-E18 VanDerWaalsContact C-N 3.32Å; N16-E18 PolarHBondContact O-N 3.34Å; E18-Y20 PolarHBondContact O-N 3.21Å; E18-F21 WeakPolarHBondContact O-CB 3.39Å; E18-F21 PolarHBondContact O-N 3.28Å; E18-R56 IonicContact OE1-CZ 3.93Å; E18-R56 IonicContact OE1-NH1 2.76Å; E18-R56 PolarHBondContact OE1-NH1 2.88Å; E18-R56 IonicContact OE2-NH1 3.85Å
19N95Very high90.8Very high106 Ų10660.9 Ų60.957%0.56729%0.286SS*.Hα-helixtrans-63.3-24.3174.7-69.9-28.3000113.6E15 N16 F17 F21E15-N19 VanDerWaalsContact O-CG 3.31Å; E15-N19 PolarHBondContact O-N 2.93Å; E15-N19 PolarHBondContact O-ND2 3.45Å; N16-N19 WeakPolarHBondContact O-CB 3.4Å; N16-N19 PolarHBondContact O-N 3.49Å; F17-N19 VanDerWaalsContact C-N 3.33Å; F17-N19 PolarHBondContact O-N 2.74Å; N19-F21 VanDerWaalsContact C-N 3.27Å; N19-F21 PolarHBondContact O-N 3.14Å
20Y93.4Very high90Very high58 Ų5861.5 Ų61.523%0.22729%0.29CS..THydrogen-bonded Turntrans-79.5-4.1175.3-90.3-102.7000114N16 F17 E18 N22 T23 F24 S81 Y84 L85N16-Y20 WeakPolarHBondContact O-CD2 3.42Å; N16-Y20 PolarHBondContact O-N 2.96Å; F17-Y20 PolarHBondContact O-N 3.49Å; F17-Y20 VanDerWaalsContact O-N 3.14Å; E18-Y20 PolarHBondContact O-N 3.21Å; Y20-N22 PolarHBondContact O-N 2.93Å; Y20-T23 HydrophobicContact CD1-CG2 4.47Å; Y20-T23 WeakPolarHBondContact O-CB 3.46Å; Y20-T23 PolarHBondContact O-N 3.09Å; Y20-F24 WeakPolarHBondContact O-CB 3.39Å; Y20-F24 PolarHBondContact O-N 3.38Å; Y20-S81 WeakPolarHBondContact OH-CB 3.46Å; Y20-S81 PolarHBondContact OH-OG 3.24Å; Y20-Y84 AromaticContact CD2-CD2 3.65Å; Y20-Y84 HydrophobicContact CD2-CD2 3.65Å; Y20-Y84 HydrophobicContact CD2-CE2 4.3Å; Y20-Y84 AromaticContact CD2-CG 3.92Å; Y20-Y84 HydrophobicContact CD2-CG 3.92Å; Y20-Y84 HydrophobicContact CE1-CD2 4.35Å; Y20-Y84 AromaticContact CE2-CD2 3.45Å; Y20-Y84 HydrophobicContact CE2-CD2 3.45Å; Y20-Y84 VanDerWaalsContact CE2-CD2 3.45Å; Y20-Y84 AromaticContact CE2-CE2 3.94Å; Y20-Y84 HydrophobicContact CE2-CE2 3.94Å; Y20-Y84 HydrophobicContact CE2-CG 4.19Å; Y20-Y84 HydrophobicContact CG-CD2 4.18Å; Y20-Y84 HydrophobicContact CG-CG 4.12Å; Y20-Y84 AromaticContact CZ-CD2 3.84Å; Y20-L85 HydrophobicContact CD1-CD2 4.1Å; Y20-L85 HydrophobicContact CD1-CG 4.22Å
21F92.4Very high88.7Confident41 Ų4167.4 Ų67.418%0.1833%0.328CS..Hα-helixtrans-57.2-48-178.6-178.6-116.1000112.7E18 N19 T23 F24 V25 L51 W88E18-F21 WeakPolarHBondContact O-CB 3.39Å; E18-F21 PolarHBondContact O-N 3.28Å; N19-F21 VanDerWaalsContact C-N 3.27Å; N19-F21 PolarHBondContact O-N 3.14Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 3.35Å; F21-F24 WeakPolarHBondContact O-CB 3.25Å; F21-F24 PolarHBondContact O-N 3.46Å; F21-V25 HydrophobicContact CD1-CG2 4.26Å; F21-V25 HydrophobicContact CD2-CG2 4.07Å; F21-V25 HydrophobicContact CE1-CG2 3.86Å; F21-V25 HydrophobicContact CE2-CG2 3.65Å; F21-V25 HydrophobicContact CG-CG2 4.37Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.4Å; F21-V25 PolarHBondContact O-N 2.95Å; F21-L51 HydrophobicContact CE2-CB 4.01Å; F21-L51 HydrophobicContact CE2-CD2 4.44Å; F21-W88 HydrophobicContact CB-CH2 4.04Å; F21-W88 HydrophobicContact CB-CZ2 3.55Å; F21-W88 HydrophobicContact CD2-CD2 4.32Å; F21-W88 HydrophobicContact CD2-CE3 4.04Å; F21-W88 AromaticContact CD2-CH2 3.36Å; F21-W88 HydrophobicContact CD2-CH2 3.36Å; F21-W88 AromaticContact CD2-CZ2 3.68Å; F21-W88 HydrophobicContact CD2-CZ2 3.68Å; F21-W88 AromaticContact CD2-CZ3 3.56Å; F21-W88 HydrophobicContact CD2-CZ3 3.56Å; F21-W88 HydrophobicContact CE2-CH2 4.15Å; F21-W88 HydrophobicContact CE2-CZ3 4.02Å; F21-W88 HydrophobicContact CG-CH2 4.02Å; F21-W88 HydrophobicContact CG-CZ2 4.03Å
22N89.9Confident87.7Confident113 Ų11363.7 Ų63.760%0.60432%0.318SS*.Hα-helixtrans-65.4-37.9-179.5-70.9-31000111.9Y20 F24 V25 N26Y20-N22 PolarHBondContact O-N 2.93Å; N22-F24 VanDerWaalsContact C-N 3.34Å; N22-V25 PolarHBondContact O-N 2.99Å; N22-N26 WeakPolarHBondContact O-CB 3.43Å; N22-N26 VanDerWaalsContact O-CG 3.24Å; N22-N26 PolarHBondContact O-N 2.83Å; N22-N26 PolarHBondContact O-ND2 3.36Å; N22-N26 VanDerWaalsContact O-ND2 3.15Å
23T90.1Very high87.3Confident68 Ų6863.5 Ų63.542%0.41732%0.324SS..Hα-helixtrans-60.6-46.5173.3-53.40000110.4Y20 F21 N26 L27 L85Y20-T23 HydrophobicContact CD1-CG2 4.47Å; Y20-T23 WeakPolarHBondContact O-CB 3.46Å; Y20-T23 PolarHBondContact O-N 3.09Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 3.35Å; T23-N26 PolarHBondContact O-N 2.83Å; T23-L27 WeakPolarHBondContact O-CG 3.5Å; T23-L27 PolarHBondContact O-N 3.03Å; T23-L27 VanDerWaalsContact O-N 3.12Å; T23-L85 HydrophobicContact CG2-CD2 4.19Å
24F90.5Very high86.8Confident1 Ų172.2 Ų72.20%0.00436%0.362CS..Hα-helixtrans-62.4-47177.2176.9-102.7000112.9Y20 F21 N22 N26 L27 L28 L51 L85 W88 L92 L143Y20-F24 WeakPolarHBondContact O-CB 3.39Å; Y20-F24 PolarHBondContact O-N 3.38Å; F21-F24 WeakPolarHBondContact O-CB 3.25Å; F21-F24 PolarHBondContact O-N 3.46Å; N22-F24 VanDerWaalsContact C-N 3.34Å; F24-N26 VanDerWaalsContact C-N 3.27Å; F24-N26 PolarHBondContact O-N 3.03Å; F24-L27 WeakPolarHBondContact O-CB 3.42Å; F24-L27 PolarHBondContact O-N 3.47Å; F24-L28 HydrophobicContact CD1-CD1 4.24Å; F24-L28 HydrophobicContact CE1-CD1 3.78Å; F24-L28 HydrophobicContact CE1-CG 4.49Å; F24-L28 HydrophobicContact CZ-CD1 4.32Å; F24-L28 PolarHBondContact O-N 3.39Å; F24-L51 HydrophobicContact CE1-CD2 4.05Å; F24-L85 HydrophobicContact CB-CD2 3.94Å; F24-L85 HydrophobicContact CD2-CD2 4.35Å; F24-W88 HydrophobicContact CB-CB 4.02Å; F24-W88 HydrophobicContact CB-CG 3.93Å; F24-W88 HydrophobicContact CD1-CB 3.8Å; F24-W88 HydrophobicContact CD1-CD2 4.32Å; F24-W88 HydrophobicContact CD1-CE3 4.37Å; F24-W88 HydrophobicContact CD1-CG 4.11Å; F24-W88 HydrophobicContact CD2-CB 3.25Å; F24-W88 HydrophobicContact CD2-CG 4.09Å; F24-W88 HydrophobicContact CE1-CB 3.99Å; F24-W88 HydrophobicContact CE2-CB 3.44Å; F24-W88 VanDerWaalsContact CE2-CB 3.44Å; F24-W88 HydrophobicContact CG-CB 3.41Å; F24-W88 VanDerWaalsContact CG-CB 3.41Å; F24-W88 HydrophobicContact CG-CD2 4.42Å; F24-W88 AromaticContact CG-CG 3.79Å; F24-W88 HydrophobicContact CG-CG 3.79Å; F24-W88 HydrophobicContact CZ-CB 3.82Å; F24-W88 WeakPolarHBondContact CZ-O 3.36Å; F24-L92 HydrophobicContact CE1-CB 4.34Å; F24-L92 HydrophobicContact CE1-CD1 4.39Å; F24-L92 HydrophobicContact CE1-CD2 4.36Å; F24-L92 HydrophobicContact CZ-CB 3.86Å; F24-L92 HydrophobicContact CZ-CD1 4.5Å; F24-L92 HydrophobicContact CZ-CD2 3.77Å; F24-L92 HydrophobicContact CZ-CG 4.26Å; F24-L143 HydrophobicContact CD2-CD1 4.07Å; F24-L143 HydrophobicContact CE2-CD1 3.27Å; F24-L143 HydrophobicContact CZ-CD1 3.59Å
25V88Confident86.6Confident17 Ų1774.6 Ų74.610%0.10339%0.386CS..Hα-helixtrans-61.6-36.8177.1170.60000111.3F21 N22 L27 L28 R29F21-V25 HydrophobicContact CD1-CG2 4.26Å; F21-V25 HydrophobicContact CD2-CG2 4.07Å; F21-V25 HydrophobicContact CE1-CG2 3.86Å; F21-V25 HydrophobicContact CE2-CG2 3.65Å; F21-V25 HydrophobicContact CG-CG2 4.37Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.4Å; F21-V25 PolarHBondContact O-N 2.95Å; N22-V25 PolarHBondContact O-N 2.99Å; V25-L27 VanDerWaalsContact C-N 3.32Å; V25-L27 PolarHBondContact O-N 3.48Å; V25-L28 WeakPolarHBondContact O-CB 3.46Å; V25-L28 PolarHBondContact O-N 2.95Å; V25-R29 PolarHBondContact O-N 3.46Å
26N85.6Confident86.4Confident86 Ų8672.2 Ų72.246%0.4638%0.377SS..Hα-helixtrans-67.8-30.3174.9-73.9-30.9000112.8N22 T23 F24 L28 R29N22-N26 WeakPolarHBondContact O-CB 3.43Å; N22-N26 VanDerWaalsContact O-CG 3.24Å; N22-N26 PolarHBondContact O-N 2.83Å; N22-N26 PolarHBondContact O-ND2 3.36Å; N22-N26 VanDerWaalsContact O-ND2 3.15Å; T23-N26 PolarHBondContact O-N 2.83Å; F24-N26 VanDerWaalsContact C-N 3.27Å; F24-N26 PolarHBondContact O-N 3.03Å; N26-L28 VanDerWaalsContact C-N 3.28Å; N26-L28 PolarHBondContact O-N 3.25Å; N26-R29 WeakPolarHBondContact O-CB 3.31Å; N26-R29 PolarHBondContact O-N 3.2Å; N26-R29 VanDerWaalsContact O-N 3.16Å; N26-R29 PolarHBondContact OD1-NH1 3.47Å
27L85.5Confident86.2Confident39 Ų3974 Ų7420%0.20438%0.383CS..Hα-helixtrans-69.2-27173.2-68.1170.4000112.9T23 F24 V25 R29 H30 L85 L143 L147T23-L27 WeakPolarHBondContact O-CG 3.5Å; T23-L27 PolarHBondContact O-N 3.03Å; T23-L27 VanDerWaalsContact O-N 3.12Å; F24-L27 WeakPolarHBondContact O-CB 3.42Å; F24-L27 PolarHBondContact O-N 3.47Å; V25-L27 VanDerWaalsContact C-N 3.32Å; V25-L27 PolarHBondContact O-N 3.48Å; L27-R29 PolarHBondContact O-N 2.94Å; L27-H30 PolarHBondContact O-CE1 3.36Å; L27-L85 HydrophobicContact CD1-CD1 3.75Å; L27-L85 HydrophobicContact CD1-CD2 3.82Å; L27-L85 HydrophobicContact CD1-CG 4.31Å; L27-L143 HydrophobicContact CB-CD2 3.78Å; L27-L147 HydrophobicContact CD1-CD2 4.02Å
28L84.4Confident86.1Confident17 Ų1780.8 Ų80.89%0.08942%0.419CS..Hα-helixtrans-72-17.9172.5-68169.5000112.6F24 V25 N26 H30 F43 T47 L92 L143F24-L28 HydrophobicContact CD1-CD1 4.24Å; F24-L28 HydrophobicContact CE1-CD1 3.78Å; F24-L28 HydrophobicContact CE1-CG 4.49Å; F24-L28 HydrophobicContact CZ-CD1 4.32Å; F24-L28 PolarHBondContact O-N 3.39Å; V25-L28 WeakPolarHBondContact O-CB 3.46Å; V25-L28 PolarHBondContact O-N 2.95Å; N26-L28 VanDerWaalsContact C-N 3.28Å; N26-L28 PolarHBondContact O-N 3.25Å; L28-H30 PolarHBondContact O-N 3.15Å; L28-F43 HydrophobicContact CD2-CE1 4.16Å; L28-T47 HydrophobicContact CD1-CG2 3.92Å; L28-L92 HydrophobicContact CD2-CD2 4Å; L28-L143 HydrophobicContact CD2-CD1 3.43Å; L28-L143 VanDerWaalsContact CD2-CD1 3.43Å; L28-L143 HydrophobicContact CD2-CD2 4.16Å; L28-L143 HydrophobicContact CD2-CG 3.91Å; L28-L143 HydrophobicContact CG-CD1 3.99Å
29R79.7Confident86Confident119 Ų11980.5 Ų80.545%0.44943%0.427SS..  trans-83.290.9175.8-64.4177.2170.1168.7-9.8109.2V25 N26 L27 Q44V25-R29 PolarHBondContact O-N 3.46Å; N26-R29 WeakPolarHBondContact O-CB 3.31Å; N26-R29 PolarHBondContact O-N 3.2Å; N26-R29 VanDerWaalsContact O-N 3.16Å; N26-R29 PolarHBondContact OD1-NH1 3.47Å; L27-R29 PolarHBondContact O-N 2.94Å; R29-Q44 VanDerWaalsContact NE-NE2 3.14Å
30H69.4Low85.8Confident51 Ų5178 Ų7824%0.23641%0.412CS..  trans-79.7147.1166.1-61-63.8000110.1L27 L28 H32 Y142L27-H30 PolarHBondContact O-CE1 3.36Å; L28-H30 PolarHBondContact O-N 3.15Å; H30-H32 PolarHBondContact O-CD2 2.9Å; H30-H32 PolarHBondContact O-N 2.95Å; H30-Y142 AromaticContact CE1-CE1 3.47Å; H30-Y142 VanDerWaalsContact CE1-CE1 3.47Å; H30-Y142 WeakPolarHBondContact CE1-CE1 3.48Å; H30-Y142 AromaticContact NE2-CD1 3.59Å; H30-Y142 AromaticContact NE2-CE1 3.24Å; H30-Y142 WeakPolarHBondContact NE2-CE1 3.34Å
31V64.5Low85.8Confident154 Ų15479.4 Ų79.493%0.93342%0.42SS*.  trans-6890.4167.8-177.60000107.6
32H70.4Confident85.9Confident82 Ų8278.4 Ų78.438%0.3842%0.416SS..  trans-85.7153.3174.9-69.8-62.2000110.8H30 L36H30-H32 PolarHBondContact O-CD2 2.9Å; H30-H32 PolarHBondContact O-N 2.95Å; H32-L36 HydrophobicContact CB-CB 3.9Å; H32-L36 HydrophobicContact CB-CD1 4.05Å
33P82.5Confident86.2Confident82 Ų8273.7 Ų73.753%0.53239%0.391SS..  trans-53.4146.3167.2-2332.9000110.3S35 L36P33-S35 PolarHBondContact O-N 3.4Å; P33-L36 PolarHBondContact O-N 3.32Å
34K85.1Confident86.3Confident182 Ų18272.8 Ų72.879%0.79138%0.382SS*.G310 helixtrans-49.7-26.3178.4-171176.9-178.8178.40113.6L36 E37K34-L36 PolarHBondContact O-N 2.92Å; K34-E37 WeakPolarHBondContact O-CB 3.34Å; K34-E37 PolarHBondContact O-N 3.21Å
35S90.2Very high86.5Confident106 Ų10677.3 Ų77.374%0.74141%0.406SS*.G310 helixtrans-62.8-14.2174.956.70000115.1P33P33-S35 PolarHBondContact O-N 3.4Å
36L92Very high86.9Confident75 Ų7576.5 Ų76.539%0.39340%0.401SS..G310 helixtrans-108.34-179.6-65.2-179.6000113.8H32 P33 K34 L38 A39 E40H32-L36 HydrophobicContact CB-CB 3.9Å; H32-L36 HydrophobicContact CB-CD1 4.05Å; P33-L36 PolarHBondContact O-N 3.32Å; K34-L36 PolarHBondContact O-N 2.92Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 3.21Å; L36-A39 WeakPolarHBondContact O-CA 3.26Å; L36-A39 WeakPolarHBondContact O-CB 3.37Å; L36-A39 PolarHBondContact O-N 2.86Å; L36-E40 PolarHBondContact O-N 2.62Å
37E91.4Very high87.3Confident95 Ų9572.5 Ų72.544%0.44438%0.38SS..Hα-helixtrans-53.2-42.5-175.7-175.5178.7175.700113K34 A39 E40 Q41K34-E37 WeakPolarHBondContact O-CB 3.34Å; K34-E37 PolarHBondContact O-N 3.21Å; E37-A39 VanDerWaalsContact C-N 3.35Å; E37-A39 PolarHBondContact O-N 3Å; E37-E40 PolarHBondContact O-N 3.1Å; E37-Q41 WeakPolarHBondContact O-CG 3.42Å; E37-Q41 PolarHBondContact O-N 3.26Å
38L92.6Very high87.7Confident142 Ų14273.1 Ų73.174%0.74339%0.387SS*.Hα-helixtrans-64.7-37.2177.2-68.9177.1000112.9L36 H42L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 3.21Å; L38-H42 WeakPolarHBondContact O-CB 3.33Å; L38-H42 PolarHBondContact O-N 3.21Å
39A92.9Very high88.2Confident57 Ų5774.9 Ų74.947%0.47139%0.393SS..Hα-helixtrans-71.1-38.4178.400000111L36 E37 H42 F43L36-A39 WeakPolarHBondContact O-CA 3.26Å; L36-A39 WeakPolarHBondContact O-CB 3.37Å; L36-A39 PolarHBondContact O-N 2.86Å; E37-A39 VanDerWaalsContact C-N 3.35Å; E37-A39 PolarHBondContact O-N 3Å; A39-H42 PolarHBondContact O-N 3.42Å; A39-F43 WeakPolarHBondContact O-CB 3.09Å; A39-F43 PolarHBondContact O-N 2.91Å
40E91.5Very high88.9Confident52 Ų5270 Ų7024%0.24338%0.376CS..Hα-helixtrans-62.8-47.9174.5-169.4-171.4158.500111.1L36 E37 H42 F43 Q44L36-E40 PolarHBondContact O-N 2.62Å; E37-E40 PolarHBondContact O-N 3.1Å; E40-H42 VanDerWaalsContact C-N 3.32Å; E40-H42 PolarHBondContact O-N 2.8Å; E40-F43 PolarHBondContact O-N 3.49Å; E40-Q44 WeakPolarHBondContact O-CG 3.5Å; E40-Q44 PolarHBondContact O-N 3.48Å; E40-Q44 PolarHBondContact OE1-NE2 3.26Å; E40-Q44 VanDerWaalsContact OE1-NE2 3.14Å
41Q92.7Very high90Very high88 Ų8867.8 Ų67.841%0.41137%0.366SS..Hα-helixtrans-59.7-42.5176.1-72.2174.34.100111.9E37 Q44 N45E37-Q41 WeakPolarHBondContact O-CG 3.42Å; E37-Q41 PolarHBondContact O-N 3.26Å; Q41-Q44 PolarHBondContact O-N 3.24Å; Q41-N45 PolarHBondContact O-N 2.84Å; Q41-N45 VanDerWaalsContact O-N 3.14Å; Q41-N45 PolarHBondContact O-ND2 3.47Å
42H95.3Very high91Very high20 Ų2063.3 Ų63.39%0.09334%0.341CS..Hα-helixtrans-60.3-48.1175.2-178.878.2000111.4L38 A39 E40 Q44 N45 V46 W116 Q120 R125 D132L38-H42 WeakPolarHBondContact O-CB 3.33Å; L38-H42 PolarHBondContact O-N 3.21Å; A39-H42 PolarHBondContact O-N 3.42Å; E40-H42 VanDerWaalsContact C-N 3.32Å; E40-H42 PolarHBondContact O-N 2.8Å; H42-Q44 VanDerWaalsContact C-N 3.34Å; H42-Q44 PolarHBondContact O-N 2.96Å; H42-N45 WeakPolarHBondContact O-CA 3.34Å; H42-N45 WeakPolarHBondContact O-CB 3.41Å; H42-N45 PolarHBondContact O-N 3.29Å; H42-V46 WeakPolarHBondContact O-CG2 3.39Å; H42-V46 PolarHBondContact O-N 3.23Å; H42-W116 AromaticContact CE1-CZ2 3.92Å; H42-Q120 PolarHBondContact CE1-OE1 2.94Å; H42-R125 PolarHBondContact ND1-NH1 3.04Å; H42-D132 IonicContact CD2-OD1 3.92Å; H42-D132 PolarHBondContact CD2-OD1 3.22Å; H42-D132 IonicContact CE1-OD2 3.95Å; H42-D132 VanDerWaalsContact NE2-CG 3.25Å; H42-D132 IonicContact NE2-OD1 3.87Å; H42-D132 PolarHBondContact NE2-OD1 2.84Å; H42-D132 IonicContact NE2-OD2 2.76Å; H42-D132 PolarHBondContact NE2-OD2 3.35Å
43F94.9Very high91.6Very high15 Ų1560.8 Ų60.87%0.06633%0.333CS..Hα-helixtrans-67.8-32.1-179.2-170.4-120.1000113.1L28 A39 E40 N45 V46 T47 H135 L136 S139L28-F43 HydrophobicContact CD2-CE1 4.16Å; A39-F43 WeakPolarHBondContact O-CB 3.09Å; A39-F43 PolarHBondContact O-N 2.91Å; E40-F43 PolarHBondContact O-N 3.49Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 3.09Å; F43-V46 HydrophobicContact CD2-CB 4.27Å; F43-V46 PolarHBondContact O-N 3.18Å; F43-T47 HydrophobicContact CD1-CG2 4.24Å; F43-T47 HydrophobicContact CD2-CG2 4.37Å; F43-T47 HydrophobicContact CE1-CG2 3.9Å; F43-T47 HydrophobicContact CE2-CG2 4.04Å; F43-T47 HydrophobicContact CG-CG2 4.47Å; F43-T47 HydrophobicContact CZ-CG2 3.79Å; F43-T47 WeakPolarHBondContact O-CB 3.42Å; F43-T47 VanDerWaalsContact O-CG2 3.3Å; F43-T47 WeakPolarHBondContact O-CG2 3.5Å; F43-T47 PolarHBondContact O-N 3.32Å; F43-T47 PolarHBondContact O-OG1 2.84Å; F43-H135 AromaticContact CD1-CE1 3.96Å; F43-H135 HydrophobicContact CD2-CB 4.21Å; F43-H135 AromaticContact CD2-CE1 3.72Å; F43-H135 AromaticContact CD2-CG 3.68Å; F43-H135 AromaticContact CD2-ND1 3.33Å; F43-H135 VanDerWaalsContact CD2-ND1 3.33Å; F43-H135 WeakPolarHBondContact CD2-ND1 3.2Å; F43-H135 HydrophobicContact CE2-CB 3.82Å; F43-H135 AromaticContact CE2-CD2 3.81Å; F43-H135 AromaticContact CE2-CG 3.46Å; F43-H135 VanDerWaalsContact CE2-CG 3.46Å; F43-H135 AromaticContact CE2-ND1 3.64Å; F43-H135 AromaticContact CG-CE1 3.67Å; F43-H135 AromaticContact CG-ND1 3.75Å; F43-H135 AromaticContact CZ-CD2 3.85Å; F43-H135 AromaticContact CZ-CG 4Å; F43-L136 HydrophobicContact CE2-CD2 3.84Å; F43-L136 HydrophobicContact CE2-CG 4.22Å; F43-L136 HydrophobicContact CZ-CD2 4.16Å; F43-S139 VanDerWaalsContact CZ-OG 3.27Å; F43-S139 WeakPolarHBondContact CZ-OG 3.37Å
44Q93.3Very high91.7Very high48 Ų4858.6 Ų58.622%0.22433%0.325CS..Hα-helixtrans-61.3-36.9169.4-72.6179.715.500111.9R29 E40 Q41 H42 T47 S48R29-Q44 VanDerWaalsContact NE-NE2 3.14Å; E40-Q44 WeakPolarHBondContact O-CG 3.5Å; E40-Q44 PolarHBondContact O-N 3.48Å; E40-Q44 PolarHBondContact OE1-NE2 3.26Å; E40-Q44 VanDerWaalsContact OE1-NE2 3.14Å; Q41-Q44 PolarHBondContact O-N 3.24Å; H42-Q44 VanDerWaalsContact C-N 3.34Å; H42-Q44 PolarHBondContact O-N 2.96Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.42Å; Q44-T47 PolarHBondContact O-OG1 3.37Å; Q44-S48 VanDerWaalsContact O-CB 3.24Å; Q44-S48 WeakPolarHBondContact O-CB 3.35Å; Q44-S48 PolarHBondContact O-N 3.14Å; Q44-S48 PolarHBondContact O-OG 3.27Å
45N94.8Very high91.8Very high96 Ų9655.7 Ų55.751%0.51331%0.313SS..Hα-helixtrans-70.1-43.9174-65-28.5000111.7Q41 H42 F43 T47 S48 Y49 W116Q41-N45 PolarHBondContact O-N 2.84Å; Q41-N45 VanDerWaalsContact O-N 3.14Å; Q41-N45 PolarHBondContact O-ND2 3.47Å; H42-N45 WeakPolarHBondContact O-CA 3.34Å; H42-N45 WeakPolarHBondContact O-CB 3.41Å; H42-N45 PolarHBondContact O-N 3.29Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 3.09Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.44Å; N45-S48 PolarHBondContact O-N 3.42Å; N45-Y49 WeakPolarHBondContact O-CB 3.31Å; N45-Y49 PolarHBondContact O-N 3.19Å; N45-W116 HydrophobicContact CB-CH2 4.21Å
46V96.1Very high92Very high0 Ų052.9 Ų52.90%029%0.286CS..Hα-helixtrans-55-50.6175.8178.10000110.2H42 F43 N50 W116 D132 L136H42-V46 WeakPolarHBondContact O-CG2 3.39Å; H42-V46 PolarHBondContact O-N 3.23Å; F43-V46 HydrophobicContact CD2-CB 4.27Å; F43-V46 PolarHBondContact O-N 3.18Å; V46-N50 WeakPolarHBondContact O-CB 3.18Å; V46-N50 PolarHBondContact O-N 2.78Å; V46-N50 PolarHBondContact O-ND2 3.29Å; V46-W116 HydrophobicContact CB-CZ2 4.07Å; V46-W116 HydrophobicContact CG2-CH2 4.1Å; V46-W116 HydrophobicContact CG2-CZ2 3.31Å; V46-D132 HydrophobicContact CG1-CB 3.92Å; V46-D132 HydrophobicContact CG2-CB 3.9Å; V46-L136 HydrophobicContact CG1-CD1 3.79Å; V46-L136 HydrophobicContact CG1-CD2 3.93Å; V46-L136 HydrophobicContact CG1-CG 3.9Å
47T94.7Very high92.1Very high3 Ų351.3 Ų51.32%0.01828%0.277CS..Hα-helixtrans-67-47.6-177.2510000111.4L28 F43 Q44 N45 Y49 N50 L51 L92 L136L28-T47 HydrophobicContact CD1-CG2 3.92Å; F43-T47 HydrophobicContact CD1-CG2 4.24Å; F43-T47 HydrophobicContact CD2-CG2 4.37Å; F43-T47 HydrophobicContact CE1-CG2 3.9Å; F43-T47 HydrophobicContact CE2-CG2 4.04Å; F43-T47 HydrophobicContact CG-CG2 4.47Å; F43-T47 HydrophobicContact CZ-CG2 3.79Å; F43-T47 WeakPolarHBondContact O-CB 3.42Å; F43-T47 VanDerWaalsContact O-CG2 3.3Å; F43-T47 WeakPolarHBondContact O-CG2 3.5Å; F43-T47 PolarHBondContact O-N 3.32Å; F43-T47 PolarHBondContact O-OG1 2.84Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.42Å; Q44-T47 PolarHBondContact O-OG1 3.37Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.44Å; T47-Y49 VanDerWaalsContact C-N 3.34Å; T47-Y49 PolarHBondContact O-N 2.62Å; T47-N50 PolarHBondContact O-N 3.14Å; T47-L51 VanDerWaalsContact O-CB 3.28Å; T47-L51 WeakPolarHBondContact O-CB 3.33Å; T47-L51 WeakPolarHBondContact O-CD1 3.25Å; T47-L51 PolarHBondContact O-N 2.98Å; T47-L92 HydrophobicContact CG2-CD1 4.16Å; T47-L136 HydrophobicContact CG2-CD2 3.7Å
48S92.4Very high92.4Very high51 Ų5148.2 Ų48.236%0.35726%0.261SS..Hα-helixtrans-60.4-43.2177.5-59.10000111.9Q44 N45 S52Q44-S48 VanDerWaalsContact O-CB 3.24Å; Q44-S48 WeakPolarHBondContact O-CB 3.35Å; Q44-S48 PolarHBondContact O-N 3.14Å; Q44-S48 PolarHBondContact O-OG 3.27Å; N45-S48 PolarHBondContact O-N 3.42Å; S48-S52 WeakPolarHBondContact O-CB 3.15Å; S48-S52 PolarHBondContact O-N 2.99Å; S48-S52 VanDerWaalsContact O-N 3.1Å; S48-S52 PolarHBondContact O-OG 3.16Å
49Y95.3Very high92.6Very high54 Ų5441.4 Ų41.421%0.21223%0.226CC..Hα-helixtrans-64.6-50.1-179.9-167.9-90.1000111.8N45 T47 S52 P114 W116N45-Y49 WeakPolarHBondContact O-CB 3.31Å; N45-Y49 PolarHBondContact O-N 3.19Å; T47-Y49 VanDerWaalsContact C-N 3.34Å; T47-Y49 PolarHBondContact O-N 2.62Å; Y49-S52 PolarHBondContact O-OG 3.16Å; Y49-P114 WeakPolarHBondContact CE1-O 3.49Å; Y49-P114 PolarHBondContact OH-O 3Å; Y49-W116 HydrophobicContact CD1-CB 4.42Å; Y49-W116 HydrophobicContact CD1-CD2 4.43Å; Y49-W116 AromaticContact CD1-CE3 3.51Å; Y49-W116 HydrophobicContact CD1-CE3 3.51Å; Y49-W116 HydrophobicContact CD1-CZ3 4.2Å; Y49-W116 HydrophobicContact CD2-CE3 4.21Å; Y49-W116 HydrophobicContact CD2-CZ3 4.15Å; Y49-W116 HydrophobicContact CE1-CB 4.46Å; Y49-W116 HydrophobicContact CE1-CE3 4.08Å; Y49-W116 AromaticContact CG-CE3 3.57Å; Y49-W116 HydrophobicContact CG-CE3 3.57Å; Y49-W116 AromaticContact CG-CZ3 3.76Å; Y49-W116 HydrophobicContact CG-CZ3 3.76Å
50N95.2Very high92.8Very high16 Ų1638.7 Ų38.79%0.08620%0.203CC..Hα-helixtrans-83.7-18.2-170.9-66.6-74.6000114.2V46 T47 A95 V99 R111V46-N50 WeakPolarHBondContact O-CB 3.18Å; V46-N50 PolarHBondContact O-N 2.78Å; V46-N50 PolarHBondContact O-ND2 3.29Å; T47-N50 PolarHBondContact O-N 3.14Å; N50-A95 HydrophobicContact CB-CB 4.1Å; N50-V99 HydrophobicContact CB-CG2 4.47Å; N50-V99 WeakPolarHBondContact OD1-CG2 3.21Å; N50-R111 PolarHBondContact O-NH1 3.41Å
51L93Very high93.1Very high6 Ų636.5 Ų36.53%0.03119%0.193CC..Hα-helixtrans-106.1-14.7179.9-72.379.4000113.9F21 F24 T47 S53 W88 L92 A95 L136F21-L51 HydrophobicContact CE2-CB 4.01Å; F21-L51 HydrophobicContact CE2-CD2 4.44Å; F24-L51 HydrophobicContact CE1-CD2 4.05Å; T47-L51 VanDerWaalsContact O-CB 3.28Å; T47-L51 WeakPolarHBondContact O-CB 3.33Å; T47-L51 WeakPolarHBondContact O-CD1 3.25Å; T47-L51 PolarHBondContact O-N 2.98Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 2.61Å; L51-W88 HydrophobicContact CB-CZ3 4.49Å; L51-W88 HydrophobicContact CD2-CE3 4.05Å; L51-W88 HydrophobicContact CD2-CZ3 4.12Å; L51-L92 HydrophobicContact CD1-CD1 3.78Å; L51-L92 HydrophobicContact CD2-CB 4.38Å; L51-L92 HydrophobicContact CD2-CD1 3.9Å; L51-L92 HydrophobicContact CG-CD1 4.5Å; L51-A95 HydrophobicContact CD1-CB 3.72Å; L51-A95 HydrophobicContact CG-CB 4.28Å; L51-L136 HydrophobicContact CD1-CD2 4.41Å
52S85.2Confident93.4Very high60 Ų6032.3 Ų32.342%0.4217%0.174SC..Hα-helixtrans-68.7-27.5-179.356.60000113.7S48 Y49 R56S48-S52 WeakPolarHBondContact O-CB 3.15Å; S48-S52 PolarHBondContact O-N 2.99Å; S48-S52 VanDerWaalsContact O-N 3.1Å; S48-S52 PolarHBondContact O-OG 3.16Å; Y49-S52 PolarHBondContact O-OG 3.16Å; S52-R56 PolarHBondContact O-NH2 3.13Å
53S82.8Confident93.5Very high28 Ų2831.3 Ų31.320%0.19617%0.169CC..SBendtrans-105.4169.7179.566.20000112.5L51 R111L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 2.61Å; S53-R111 PolarHBondContact O-NH1 3.11Å; S53-R111 WeakPolarHBondContact OG-CD 3.32Å
54G83.8Confident93.5Very high36 Ų3630.8 Ų30.837%0.37117%0.167SC..SBendtrans98.1171.3174.600000115.1
55K88.2Confident93.7Very high122 Ų12228.5 Ų28.553%0.5316%0.156SC..  trans-82.2-15.8-172.3-62.2-178.3178.5177.10114.1I57K55-I57 HydrophobicContact CB-CD1 3.69Å; K55-I57 HydrophobicContact CB-CG1 3.73Å; K55-I57 HydrophobicContact CD-CD1 3.96Å; K55-I57 HydrophobicContact CG-CD1 4.45Å; K55-I57 PolarHBondContact O-N 3.23Å
56R93.2Very high93.7Very high47 Ų4724.4 Ų24.418%0.17713%0.134CC..  trans54.830.3178.7-56.7166-174.3144.9-3.7114.8F17 E18 S52 R58 V60 E91F17-R56 HydrophobicContact CE1-CB 4.04Å; E18-R56 IonicContact OE1-CZ 3.93Å; E18-R56 IonicContact OE1-NH1 2.76Å; E18-R56 PolarHBondContact OE1-NH1 2.88Å; E18-R56 IonicContact OE2-NH1 3.85Å; S52-R56 PolarHBondContact O-NH2 3.13Å; R56-R58 VanDerWaalsContact C-N 3.33Å; R56-R58 PolarHBondContact O-N 3.43Å; R56-V60 WeakPolarHBondContact O-CG2 3.48Å; R56-V60 PolarHBondContact O-N 3.3Å; R56-E91 VanDerWaalsContact CA-OE1 3.3Å; R56-E91 WeakPolarHBondContact CA-OE1 3.02Å
57I94.5Very high93.6Very high41 Ų4125.5 Ų25.521%0.2114%0.139CC..Hα-helixtrans-67.9-34.1-171.8-66.7168.3000111.1K55 V60 L61 L380K55-I57 HydrophobicContact CB-CD1 3.69Å; K55-I57 HydrophobicContact CB-CG1 3.73Å; K55-I57 HydrophobicContact CD-CD1 3.96Å; K55-I57 HydrophobicContact CG-CD1 4.45Å; K55-I57 PolarHBondContact O-N 3.23Å; I57-V60 PolarHBondContact O-N 3.46Å; I57-L61 VanDerWaalsContact O-CB 3.24Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 PolarHBondContact O-N 3.01Å; I57-L380 HydrophobicContact CG2-CD1 4.46Å
58R97.4Very high93.5Very high30 Ų3025.6 Ų25.611%0.11314%0.14CC..Hα-helixtrans-68.8-43.1-175-61.7174.9176.272.5-0.5110.2R56 L61 V62 V90 E91 H94 T233 P237R56-R58 VanDerWaalsContact C-N 3.33Å; R56-R58 PolarHBondContact O-N 3.43Å; R58-L61 WeakPolarHBondContact O-CB 3.33Å; R58-L61 PolarHBondContact O-N 3.21Å; R58-V62 PolarHBondContact O-N 3.36Å; R58-V90 HydrophobicContact CB-CG1 3.72Å; R58-E91 WeakPolarHBondContact CA-OE1 3.4Å; R58-E91 WeakPolarHBondContact CB-OE1 3.46Å; R58-E91 PolarHBondContact N-OE1 2.85Å; R58-H94 PolarHBondContact NH1-CD2 3.1Å; R58-H94 PolarHBondContact NH1-CE1 3.26Å; R58-H94 PolarHBondContact NH1-NE2 3.46Å; R58-H94 VanDerWaalsContact NH1-NE2 3.13Å; R58-T233 PolarHBondContact NE-OG1 3.41Å; R58-T233 PolarHBondContact NH2-OG1 2.82Å; R58-P237 HydrophobicContact CB-CG 4.44Å; R58-P237 WeakPolarHBondContact O-CB 3.49Å
59G97.8Very high93.6Very high0 Ų023.3 Ų23.30%012%0.123CC..Hα-helixtrans-64.3-43.8175.900000112.8L61 V62 G87 E91G59-L61 VanDerWaalsContact C-N 3.27Å; G59-L61 PolarHBondContact O-N 3.25Å; G59-V62 WeakPolarHBondContact O-CB 3.48Å; G59-V62 PolarHBondContact O-N 3.21Å; G59-G87 VanDerWaalsContact CA-O 3.24Å; G59-G87 WeakPolarHBondContact CA-O 3.48Å; G59-E91 PolarHBondContact N-OE1 2.89Å
60V97.3Very high93.5Very high0 Ų020.8 Ų20.80%011%0.113CC..Hα-helixtrans-62-36.8174.1171.90000111.7Y10 V13 K14 F17 R56 I57 V62 V63 L64Y10-V60 HydrophobicContact CD2-CG1 3.47Å; Y10-V60 VanDerWaalsContact CD2-CG1 3.47Å; Y10-V60 HydrophobicContact CE2-CB 4.27Å; Y10-V60 HydrophobicContact CE2-CG1 3.54Å; V13-V60 HydrophobicContact CG1-CG1 3.9Å; K14-V60 HydrophobicContact CB-CG2 4.01Å; K14-V60 HydrophobicContact CG-CG2 4.07Å; F17-V60 HydrophobicContact CB-CG2 4.14Å; F17-V60 HydrophobicContact CD1-CG2 3.92Å; F17-V60 HydrophobicContact CG-CG2 4.06Å; R56-V60 WeakPolarHBondContact O-CG2 3.48Å; R56-V60 PolarHBondContact O-N 3.3Å; I57-V60 PolarHBondContact O-N 3.46Å; V60-V62 VanDerWaalsContact C-N 3.31Å; V60-V62 PolarHBondContact O-N 2.66Å; V60-V63 PolarHBondContact O-N 3.2Å; V60-V63 VanDerWaalsContact O-N 3.13Å; V60-L64 HydrophobicContact CG1-CD1 4.08Å; V60-L64 HydrophobicContact CG1-CG 4.2Å; V60-L64 PolarHBondContact O-N 2.97Å
61L97.7Very high93.2Very high5 Ų522 Ų223%0.02612%0.12CC..Hα-helixtrans-66.1-30.2178.7-17655.2000112.9I57 R58 G59 V63 S65 P237 V238 L373 L377I57-L61 VanDerWaalsContact O-CB 3.24Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 PolarHBondContact O-N 3.01Å; R58-L61 WeakPolarHBondContact O-CB 3.33Å; R58-L61 PolarHBondContact O-N 3.21Å; G59-L61 VanDerWaalsContact C-N 3.27Å; G59-L61 PolarHBondContact O-N 3.25Å; L61-V63 VanDerWaalsContact C-N 3.33Å; L61-S65 WeakPolarHBondContact O-CB 3.5Å; L61-S65 PolarHBondContact O-N 3.24Å; L61-P237 HydrophobicContact CB-CB 4.07Å; L61-P237 HydrophobicContact CB-CG 4.47Å; L61-P237 HydrophobicContact CD2-CB 4.24Å; L61-P237 HydrophobicContact CD2-CG 3.82Å; L61-P237 HydrophobicContact CG-CB 4.12Å; L61-P237 HydrophobicContact CG-CG 4.25Å; L61-V238 HydrophobicContact CD1-CG2 3.93Å; L61-V238 HydrophobicContact CD2-CG2 3.77Å; L61-V238 HydrophobicContact CG-CG2 3.73Å; L61-L373 HydrophobicContact CD1-CD1 3.83Å; L61-L373 HydrophobicContact CD1-CD2 4.45Å; L61-L373 HydrophobicContact CD1-CG 4.4Å; L61-L377 HydrophobicContact CD1-CD1 4.12Å; L61-L377 HydrophobicContact CD1-CD2 3.92Å; L61-L377 HydrophobicContact CD1-CG 4.35Å; L61-L377 HydrophobicContact CD2-CD1 4.07Å; L61-L377 HydrophobicContact CD2-CD2 3.9Å
62V98.5Very high92.8Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-57.9-48.5169.7176.50000110.6R58 G59 V60 S65 Y66 V83 I86 V90 P237 C240 L244R58-V62 PolarHBondContact O-N 3.36Å; G59-V62 WeakPolarHBondContact O-CB 3.48Å; G59-V62 PolarHBondContact O-N 3.21Å; V60-V62 VanDerWaalsContact C-N 3.31Å; V60-V62 PolarHBondContact O-N 2.66Å; V62-S65 PolarHBondContact O-N 2.89Å; V62-Y66 WeakPolarHBondContact O-CB 3.44Å; V62-Y66 PolarHBondContact O-N 3.42Å; V62-V83 HydrophobicContact CG1-CG1 4.21Å; V62-I86 HydrophobicContact CG1-CG2 4.17Å; V62-V90 HydrophobicContact CG2-CB 4.33Å; V62-V90 HydrophobicContact CG2-CG2 3.78Å; V62-P237 WeakPolarHBondContact CA-O 3.46Å; V62-P237 HydrophobicContact CG2-CB 3.75Å; V62-C240 HydrophobicContact CG1-CB 3.96Å; V62-C240 HydrophobicContact CG2-CB 4.08Å; V62-L244 HydrophobicContact CG1-CD1 4Å
63V97.1Very high92.5Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-68.6-46.2-177.1-172.40000110.8V13 F17 V60 L61 S65 Y66 M67 L80 V83 Y84V13-V63 HydrophobicContact CG1-CB 3.57Å; V13-V63 HydrophobicContact CG1-CG1 3.56Å; V13-V63 HydrophobicContact CG1-CG2 4.23Å; V13-V63 HydrophobicContact CG2-CG1 4.36Å; F17-V63 HydrophobicContact CD2-CG2 4.35Å; V60-V63 PolarHBondContact O-N 3.2Å; V60-V63 VanDerWaalsContact O-N 3.13Å; L61-V63 VanDerWaalsContact C-N 3.33Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 2.72Å; V63-Y66 PolarHBondContact O-N 3.17Å; V63-M67 HydrophobicContact CG1-SD 4.48Å; V63-M67 VanDerWaalsContact O-CG 3.3Å; V63-M67 WeakPolarHBondContact O-CG 3.36Å; V63-M67 PolarHBondContact O-N 3.16Å; V63-L80 HydrophobicContact CG1-CD1 3.92Å; V63-V83 HydrophobicContact CB-CG1 4.26Å; V63-V83 HydrophobicContact CG1-CG1 4.35Å; V63-V83 HydrophobicContact CG2-CG1 4.1Å; V63-Y84 HydrophobicContact CB-CE1 4.33Å; V63-Y84 HydrophobicContact CG1-CD1 4.27Å; V63-Y84 HydrophobicContact CG1-CE1 3.76Å; V63-Y84 HydrophobicContact CG2-CD1 3.5Å; V63-Y84 VanDerWaalsContact CG2-CD1 3.5Å; V63-Y84 HydrophobicContact CG2-CE1 3.75Å; V63-Y84 HydrophobicContact CG2-CG 4.42Å
64L95.9Very high92.2Very high4 Ų433.2 Ų33.22%0.02117%0.166CC..Hα-helixtrans-60-43.5176.5-71.4179.5000111.8K9 Y10 V13 V60 M67 V68 L373 F376K9-L64 HydrophobicContact CG-CD2 4.23Å; Y10-L64 HydrophobicContact CD2-CD1 3.98Å; V13-L64 HydrophobicContact CB-CD2 4.3Å; V13-L64 HydrophobicContact CG1-CD2 4.46Å; V13-L64 HydrophobicContact CG1-CG 4.48Å; V13-L64 HydrophobicContact CG2-CD2 4.03Å; V60-L64 HydrophobicContact CG1-CD1 4.08Å; V60-L64 HydrophobicContact CG1-CG 4.2Å; V60-L64 PolarHBondContact O-N 2.97Å; L64-M67 PolarHBondContact O-N 3.4Å; L64-V68 WeakPolarHBondContact O-CB 3.49Å; L64-V68 VanDerWaalsContact O-CG2 3.24Å; L64-V68 WeakPolarHBondContact O-CG2 3.36Å; L64-V68 PolarHBondContact O-N 2.87Å; L64-L373 HydrophobicContact CB-CD1 3.91Å; L64-L373 HydrophobicContact CD1-CD1 4.4Å; L64-F376 HydrophobicContact CD1-CD1 4.33Å; L64-F376 HydrophobicContact CD1-CE1 3.77Å
65S96.7Very high91.8Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-61.6-46.6176.21780000111.4L61 V62 V63 M67 V68 F69 V238L61-S65 WeakPolarHBondContact O-CB 3.5Å; L61-S65 PolarHBondContact O-N 3.24Å; V62-S65 PolarHBondContact O-N 2.89Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 2.72Å; S65-M67 VanDerWaalsContact C-N 3.32Å; S65-M67 PolarHBondContact O-N 2.71Å; S65-V68 PolarHBondContact O-N 2.82Å; S65-F69 VanDerWaalsContact O-CD2 3.31Å; S65-F69 WeakPolarHBondContact O-CD2 3.38Å; S65-F69 PolarHBondContact O-N 3.35Å; S65-F69 WeakPolarHBondContact OG-CD2 2.76Å; S65-V238 WeakPolarHBondContact OG-CG1 3.04Å; S65-V238 PolarHBondContact OG-O 3.45Å
66Y95.8Very high90.9Very high9 Ų931.3 Ų31.34%0.03516%0.155CC..Hα-helixtrans-56.2-45.7175170.7-106.2000112.3V62 V63 V68 S70 S76 L80 V83 G241 L244 A245V62-Y66 WeakPolarHBondContact O-CB 3.44Å; V62-Y66 PolarHBondContact O-N 3.42Å; V63-Y66 PolarHBondContact O-N 3.17Å; Y66-V68 VanDerWaalsContact C-N 3.35Å; Y66-V68 PolarHBondContact O-N 3.44Å; Y66-S70 WeakPolarHBondContact CE2-OG 3.35Å; Y66-S70 WeakPolarHBondContact O-CB 3.47Å; Y66-S70 PolarHBondContact O-N 3.03Å; Y66-S70 PolarHBondContact O-OG 2.7Å; Y66-S76 WeakPolarHBondContact CE1-O 3.48Å; Y66-S76 PolarHBondContact OH-O 2.96Å; Y66-S76 VanDerWaalsContact OH-O 3.04Å; Y66-L80 HydrophobicContact CD1-CD1 4.15Å; Y66-L80 HydrophobicContact CE1-CD1 4.18Å; Y66-V83 HydrophobicContact CD1-CB 4.25Å; Y66-V83 HydrophobicContact CD1-CG1 3.91Å; Y66-V83 HydrophobicContact CD1-CG2 3.63Å; Y66-V83 HydrophobicContact CD2-CG2 3.94Å; Y66-V83 HydrophobicContact CE1-CG2 3.8Å; Y66-V83 HydrophobicContact CE2-CG2 4.13Å; Y66-V83 HydrophobicContact CG-CB 4.42Å; Y66-V83 HydrophobicContact CG-CG1 3.86Å; Y66-V83 HydrophobicContact CG-CG2 3.69Å; Y66-G241 WeakPolarHBondContact CA-O 3.38Å; Y66-L244 HydrophobicContact CD2-CB 3.71Å; Y66-L244 HydrophobicContact CE2-CB 4.29Å; Y66-L244 VanDerWaalsContact CE2-O 3.3Å; Y66-L244 WeakPolarHBondContact CE2-O 3.03Å; Y66-A245 HydrophobicContact CD2-CB 3.96Å; Y66-A245 HydrophobicContact CE2-CB 4.33Å
67M93.2Very high90Very high24 Ų2438.4 Ų38.412%0.11818%0.182CC..Hα-helixtrans-64.2-39.2179-68.3-17072.200112.7K9 V13 V63 L64 S65 S367 F368K9-M67 HydrophobicContact CD-CE 4.07Å; K9-M67 HydrophobicContact CD-SD 4.46Å; K9-M67 HydrophobicContact CG-SD 4.43Å; V13-M67 HydrophobicContact CG2-SD 3.87Å; V63-M67 HydrophobicContact CG1-SD 4.48Å; V63-M67 VanDerWaalsContact O-CG 3.3Å; V63-M67 WeakPolarHBondContact O-CG 3.36Å; V63-M67 PolarHBondContact O-N 3.16Å; L64-M67 PolarHBondContact O-N 3.4Å; S65-M67 VanDerWaalsContact C-N 3.32Å; S65-M67 PolarHBondContact O-N 2.71Å; M67-S367 WeakPolarHBondContact O-CB 3.4Å; M67-F368 HydrophobicContact CB-CE2 4.49Å; M67-F368 WeakPolarHBondContact O-CD2 3.46Å
68V93.2Very high89.3Confident5 Ų542 Ų423%0.0320%0.196CC..Hα-helixtrans-66.9-51.5178.7165.30000111L64 S65 Y66 F366 S367 F368 P370 L373L64-V68 WeakPolarHBondContact O-CB 3.49Å; L64-V68 VanDerWaalsContact O-CG2 3.24Å; L64-V68 WeakPolarHBondContact O-CG2 3.36Å; L64-V68 PolarHBondContact O-N 2.87Å; S65-V68 PolarHBondContact O-N 2.82Å; Y66-V68 VanDerWaalsContact C-N 3.35Å; Y66-V68 PolarHBondContact O-N 3.44Å; V68-F366 WeakPolarHBondContact O-CB 3.41Å; V68-S367 PolarHBondContact O-N 3.3Å; V68-F368 HydrophobicContact CG2-CB 4.17Å; V68-F368 HydrophobicContact CG2-CD2 4.47Å; V68-F368 PolarHBondContact O-N 2.87Å; V68-P370 HydrophobicContact CG1-CB 3.94Å; V68-P370 HydrophobicContact CG1-CG 3.9Å; V68-L373 HydrophobicContact CB-CD2 4.48Å; V68-L373 HydrophobicContact CG2-CB 4.18Å; V68-L373 HydrophobicContact CG2-CD2 4.35Å
69F94.6Very high88.8Confident2 Ų240.9 Ų40.91%0.00919%0.192CC..Hα-helixtrans-84.6-9.4-172.4-74.3-77.5000114.5S65 V238 M242 A245 V247 I252 V256 F366 P370 L373 F374S65-F69 VanDerWaalsContact O-CD2 3.31Å; S65-F69 WeakPolarHBondContact O-CD2 3.38Å; S65-F69 PolarHBondContact O-N 3.35Å; S65-F69 WeakPolarHBondContact OG-CD2 2.76Å; F69-V238 HydrophobicContact CE2-CG1 4.1Å; F69-M242 HydrophobicContact CB-CG 4.33Å; F69-M242 HydrophobicContact CD1-CG 4.09Å; F69-M242 HydrophobicContact CD2-CG 3.46Å; F69-M242 VanDerWaalsContact CD2-CG 3.46Å; F69-M242 HydrophobicContact CD2-SD 4.48Å; F69-M242 HydrophobicContact CE1-CE 4.29Å; F69-M242 HydrophobicContact CE1-CG 4.26Å; F69-M242 HydrophobicContact CE1-SD 4.42Å; F69-M242 HydrophobicContact CE2-CG 3.66Å; F69-M242 HydrophobicContact CE2-SD 4.09Å; F69-M242 HydrophobicContact CG-CG 3.7Å; F69-M242 HydrophobicContact CZ-CE 4.46Å; F69-M242 HydrophobicContact CZ-CG 4.05Å; F69-M242 HydrophobicContact CZ-SD 4.06Å; F69-A245 HydrophobicContact CB-CB 3.95Å; F69-V247 HydrophobicContact CB-CG2 3.82Å; F69-V247 HydrophobicContact CD1-CG2 4.14Å; F69-V247 HydrophobicContact CG-CG2 4.28Å; F69-I252 HydrophobicContact CE1-CG2 4.12Å; F69-V256 HydrophobicContact CZ-CG2 3.96Å; F69-F366 HydrophobicContact CD1-CD1 4.25Å; F69-F366 AromaticContact CD1-CD2 3.94Å; F69-F366 HydrophobicContact CD1-CD2 3.94Å; F69-F366 AromaticContact CD1-CE1 3.97Å; F69-F366 HydrophobicContact CD1-CE1 3.97Å; F69-F366 AromaticContact CD1-CE2 3.63Å; F69-F366 HydrophobicContact CD1-CE2 3.63Å; F69-F366 HydrophobicContact CD1-CG 4.25Å; F69-F366 AromaticContact CD1-CZ 3.65Å; F69-F366 HydrophobicContact CD1-CZ 3.65Å; F69-F366 HydrophobicContact CE1-CD2 4.23Å; F69-F366 AromaticContact CE1-CE2 3.79Å; F69-F366 HydrophobicContact CE1-CE2 3.79Å; F69-F366 HydrophobicContact CE1-CZ 4.15Å; F69-F366 WeakPolarHBondContact O-CD1 3.31Å; F69-P370 HydrophobicContact CD1-CG 4.31Å; F69-P370 HydrophobicContact CE1-CB 3.99Å; F69-P370 HydrophobicContact CE1-CG 3.74Å; F69-P370 HydrophobicContact CE2-CB 4.4Å; F69-P370 HydrophobicContact CZ-CB 3.72Å; F69-P370 HydrophobicContact CZ-CG 4Å; F69-L373 HydrophobicContact CE2-CD2 4.45Å; F69-F374 HydrophobicContact CZ-CZ 4.24Å
70S92.9Very high88.5Confident1 Ų142.5 Ų42.51%0.00720%0.201CC..SBendtrans-61.1147.2171.7-70.60000111.2Y66 S367Y66-S70 WeakPolarHBondContact CE2-OG 3.35Å; Y66-S70 WeakPolarHBondContact O-CB 3.47Å; Y66-S70 PolarHBondContact O-N 3.03Å; Y66-S70 PolarHBondContact O-OG 2.7Å; S70-S367 WeakPolarHBondContact O-CB 3.46Å; S70-S367 PolarHBondContact O-N 2.92Å; S70-S367 PolarHBondContact O-OG 2.99Å
71N88Confident88.2Confident42 Ų4244.5 Ų44.523%0.22522%0.215CC..BIsolated β-bridgetrans-69.5140178.9-164.7-49.8000111.7N73 E74 H365 S367N71-N73 PolarHBondContact O-N 3.36Å; N71-N73 PolarHBondContact OD1-N 3.39Å; N71-N73 VanDerWaalsContact OD1-N 3.11Å; N71-E74 HydrophobicContact CB-CB 4.27Å; N71-E74 HydrophobicContact CB-CG 3.99Å; N71-E74 PolarHBondContact O-N 3.46Å; N71-H365 WeakPolarHBondContact CA-O 3.35Å; N71-H365 PolarHBondContact OD1-O 2.99Å; N71-S367 PolarHBondContact O-OG 3.37Å
72K84Confident88Confident104 Ų10444.3 Ų44.345%0.45221%0.214SC..THydrogen-bonded Turntrans-51.9-30.5176.4-68.4174.1-170.9172.10113.4D364 H365 F366K72-D364 PolarHBondContact NZ-O 2.83Å; K72-D364 IonicContact NZ-OD1 3.58Å; K72-D364 PolarHBondContact NZ-OD1 3.07Å; K72-D364 IonicContact NZ-OD2 3.74Å; K72-D364 PolarHBondContact NZ-OD2 3.35Å; K72-H365 PolarHBondContact N-O 3.48Å; K72-F366 WeakPolarHBondContact CE-O 3.42Å; K72-F366 WeakPolarHBondContact CG-O 2.78Å
73N79.9Confident87.9Confident156 Ų15644.3 Ų44.383%0.83421%0.214SC*.THydrogen-bonded Turntrans-90.4-3.4-176.6-63.1-32.5000113.8N71N71-N73 PolarHBondContact O-N 3.36Å; N71-N73 PolarHBondContact OD1-N 3.39Å; N71-N73 VanDerWaalsContact OD1-N 3.11Å
74E77.4Confident87.8Confident69 Ų6944.8 Ų44.832%0.32222%0.216SC..SBendtrans-102.9142.2-177.7-71.5175.5-178.900111.2N71 S76 K161N71-E74 HydrophobicContact CB-CB 4.27Å; N71-E74 HydrophobicContact CB-CG 3.99Å; N71-E74 PolarHBondContact O-N 3.46Å; E74-S76 VanDerWaalsContact C-N 3.34Å; E74-S76 PolarHBondContact O-N 2.89Å; E74-K161 VanDerWaalsContact OE1-CE 3.25Å; E74-K161 WeakPolarHBondContact OE1-CE 3.37Å; E74-K161 IonicContact OE1-NZ 2.66Å; E74-K161 PolarHBondContact OE1-NZ 3.37Å
75N73.7Confident87.8Confident93 Ų9345 Ų4550%0.49722%0.217SC..  trans-77.787.9173.8-175.34.4000109.9R77 K78N75-R77 PolarHBondContact O-N 3.34Å; N75-R77 WeakPolarHBondContact OD1-CB 3.46Å; N75-R77 PolarHBondContact OD1-N 2.85Å; N75-R77 VanDerWaalsContact OD1-N 3.17Å; N75-K78 HydrophobicContact CB-CG 4.28Å; N75-K78 PolarHBondContact O-N 3.18Å; N75-K78 VanDerWaalsContact O-N 3.12Å
76S70Confident87.8Confident26 Ų2645 Ų4518%0.18222%0.217CC..G310 helixtrans-55.5-16.6177.659.60000113.9Y66 E74 K78Y66-S76 WeakPolarHBondContact CE1-O 3.48Å; Y66-S76 PolarHBondContact OH-O 2.96Å; Y66-S76 VanDerWaalsContact OH-O 3.04Å; E74-S76 VanDerWaalsContact C-N 3.34Å; E74-S76 PolarHBondContact O-N 2.89Å; S76-K78 VanDerWaalsContact C-N 3.29Å; S76-K78 PolarHBondContact O-N 3.18Å
77R73.8Confident87.9Confident196 Ų19644.6 Ų44.674%0.7422%0.215SC*.G310 helixtrans-71.9-19.9178.1-60.5-175.1179.6-170.4-1113.8N75 N79 L80N75-R77 PolarHBondContact O-N 3.34Å; N75-R77 WeakPolarHBondContact OD1-CB 3.46Å; N75-R77 PolarHBondContact OD1-N 2.85Å; N75-R77 VanDerWaalsContact OD1-N 3.17Å; R77-N79 PolarHBondContact O-N 3.04Å; R77-L80 PolarHBondContact O-N 3.48Å
78K79.4Confident88.1Confident115 Ų11543.5 Ų43.550%0.521%0.21SC..G310 helixtrans-65.2-35.6-172.6-74-172.9175.7-1750114N75 S76 S159N75-K78 HydrophobicContact CB-CG 4.28Å; N75-K78 PolarHBondContact O-N 3.18Å; N75-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 VanDerWaalsContact C-N 3.29Å; S76-K78 PolarHBondContact O-N 3.18Å; K78-S159 VanDerWaalsContact CD-OG 3.28Å; K78-S159 WeakPolarHBondContact CD-OG 3.42Å
79N88.9Confident88.3Confident7 Ų743.3 Ų43.34%0.03721%0.209CC..G310 helixtrans-103.63-176.1-60.6-20.1000112.6R77 S81 C82 V83 Y158 S159 W160R77-N79 PolarHBondContact O-N 3.04Å; N79-S81 VanDerWaalsContact C-N 3.29Å; N79-S81 PolarHBondContact O-N 3.39Å; N79-C82 PolarHBondContact O-N 3.42Å; N79-V83 WeakPolarHBondContact O-CG2 3.26Å; N79-V83 PolarHBondContact O-N 3.3Å; N79-V83 VanDerWaalsContact O-N 3.1Å; N79-Y158 VanDerWaalsContact OD1-CA 3.31Å; N79-Y158 WeakPolarHBondContact OD1-CA 3.39Å; N79-Y158 WeakPolarHBondContact OD1-CB 3.38Å; N79-S159 PolarHBondContact OD1-N 2.91Å; N79-W160 HydrophobicContact CB-CH2 4.17Å; N79-W160 HydrophobicContact CB-CZ2 3.63Å; N79-W160 VanDerWaalsContact ND2-CE2 3.25Å; N79-W160 PolarHBondContact ND2-NE1 2.88Å; N79-W160 VanDerWaalsContact ND2-NE1 3.18Å
80L90.9Very high88.5Confident34 Ų3443.3 Ų43.318%0.17821%0.209CC..Hα-helixtrans-61.5-35.2-166.4-164.267.7000112.9V63 Y66 R77 C82 V83 Y84V63-L80 HydrophobicContact CG1-CD1 3.92Å; Y66-L80 HydrophobicContact CD1-CD1 4.15Å; Y66-L80 HydrophobicContact CE1-CD1 4.18Å; R77-L80 PolarHBondContact O-N 3.48Å; L80-C82 PolarHBondContact O-N 3.21Å; L80-V83 WeakPolarHBondContact O-CB 3.24Å; L80-V83 PolarHBondContact O-N 3.44Å; L80-Y84 HydrophobicContact CB-CE2 4.49Å; L80-Y84 HydrophobicContact CD1-CE2 4.37Å; L80-Y84 HydrophobicContact CD2-CE2 3.71Å; L80-Y84 HydrophobicContact CG-CD2 4.1Å; L80-Y84 HydrophobicContact CG-CE2 3.49Å; L80-Y84 VanDerWaalsContact CG-CE2 3.49Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.48Å
81S91.7Very high88.8Confident43 Ų4343.8 Ų43.830%0.30121%0.211SC..Hα-helixtrans-58-45.4174.8-49.20000112.3Y20 N79 Y84 L85Y20-S81 WeakPolarHBondContact OH-CB 3.46Å; Y20-S81 PolarHBondContact OH-OG 3.24Å; N79-S81 VanDerWaalsContact C-N 3.29Å; N79-S81 PolarHBondContact O-N 3.39Å; S81-Y84 PolarHBondContact O-N 3.2Å; S81-L85 WeakPolarHBondContact O-CG 3.39Å; S81-L85 PolarHBondContact O-N 3.04Å
82C92.6Very high89.2Confident0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-67.1-39.8175.5-172.10000111.4N79 L80 Y84 L85 I86 Y158 W160N79-C82 PolarHBondContact O-N 3.42Å; L80-C82 PolarHBondContact O-N 3.21Å; C82-Y84 VanDerWaalsContact C-N 3.3Å; C82-Y84 PolarHBondContact O-N 3.13Å; C82-L85 CarbonylContact O-C 3.6Å; C82-L85 PolarHBondContact O-N 3.33Å; C82-I86 WeakPolarHBondContact O-CG1 3.14Å; C82-I86 PolarHBondContact O-N 2.77Å; C82-Y158 HydrophobicContact CB-CD1 4.48Å; C82-Y158 HydrophobicContact CB-CD2 4.21Å; C82-Y158 HydrophobicContact CB-CE1 3.97Å; C82-Y158 HydrophobicContact CB-CE2 3.56Å; C82-Y158 VanDerWaalsContact CB-CZ 3.49Å; C82-W160 HydrophobicContact CB-CH2 3.77Å; C82-W160 HydrophobicContact CB-CZ2 4.48Å
83V95.7Very high89.9Confident0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-59.1-41.7178.3179.10000111.1V62 V63 Y66 N79 L80 L85 I86 G87 L244V62-V83 HydrophobicContact CG1-CG1 4.21Å; V63-V83 HydrophobicContact CB-CG1 4.26Å; V63-V83 HydrophobicContact CG1-CG1 4.35Å; V63-V83 HydrophobicContact CG2-CG1 4.1Å; Y66-V83 HydrophobicContact CD1-CB 4.25Å; Y66-V83 HydrophobicContact CD1-CG1 3.91Å; Y66-V83 HydrophobicContact CD1-CG2 3.63Å; Y66-V83 HydrophobicContact CD2-CG2 3.94Å; Y66-V83 HydrophobicContact CE1-CG2 3.8Å; Y66-V83 HydrophobicContact CE2-CG2 4.13Å; Y66-V83 HydrophobicContact CG-CB 4.42Å; Y66-V83 HydrophobicContact CG-CG1 3.86Å; Y66-V83 HydrophobicContact CG-CG2 3.69Å; N79-V83 WeakPolarHBondContact O-CG2 3.26Å; N79-V83 PolarHBondContact O-N 3.3Å; N79-V83 VanDerWaalsContact O-N 3.1Å; L80-V83 WeakPolarHBondContact O-CB 3.24Å; L80-V83 PolarHBondContact O-N 3.44Å; V83-L85 PolarHBondContact O-N 3.44Å; V83-I86 PolarHBondContact O-N 3Å; V83-G87 PolarHBondContact O-N 2.87Å; V83-L244 HydrophobicContact CB-CD1 4.38Å; V83-L244 HydrophobicContact CG1-CD1 4.19Å; V83-L244 HydrophobicContact CG2-CB 4.36Å; V83-L244 HydrophobicContact CG2-CD1 4.09Å
84Y96.1Very high90.7Very high10 Ų1029.9 Ų29.94%0.03914%0.141CC..Hα-helixtrans-60.5-43.1172.9-71.8-57.1000112.2V13 N16 F17 Y20 V63 L80 S81 C82 G87 W88V13-Y84 HydrophobicContact CG1-CE1 4.42Å; N16-Y84 HydrophobicContact CB-CE1 4.03Å; N16-Y84 HydrophobicContact CB-CE2 4.33Å; N16-Y84 VanDerWaalsContact CB-OH 3.26Å; N16-Y84 WeakPolarHBondContact CB-OH 3.47Å; F17-Y84 HydrophobicContact CB-CD1 3.95Å; F17-Y84 HydrophobicContact CB-CE1 4.11Å; F17-Y84 HydrophobicContact CD2-CD1 4.04Å; F17-Y84 WeakPolarHBondContact CE2-O 3.42Å; Y20-Y84 AromaticContact CD2-CD2 3.65Å; Y20-Y84 HydrophobicContact CD2-CD2 3.65Å; Y20-Y84 HydrophobicContact CD2-CE2 4.3Å; Y20-Y84 AromaticContact CD2-CG 3.92Å; Y20-Y84 HydrophobicContact CD2-CG 3.92Å; Y20-Y84 HydrophobicContact CE1-CD2 4.35Å; Y20-Y84 AromaticContact CE2-CD2 3.45Å; Y20-Y84 HydrophobicContact CE2-CD2 3.45Å; Y20-Y84 VanDerWaalsContact CE2-CD2 3.45Å; Y20-Y84 AromaticContact CE2-CE2 3.94Å; Y20-Y84 HydrophobicContact CE2-CE2 3.94Å; Y20-Y84 HydrophobicContact CE2-CG 4.19Å; Y20-Y84 HydrophobicContact CG-CD2 4.18Å; Y20-Y84 HydrophobicContact CG-CG 4.12Å; Y20-Y84 AromaticContact CZ-CD2 3.84Å; V63-Y84 HydrophobicContact CB-CE1 4.33Å; V63-Y84 HydrophobicContact CG1-CD1 4.27Å; V63-Y84 HydrophobicContact CG1-CE1 3.76Å; V63-Y84 HydrophobicContact CG2-CD1 3.5Å; V63-Y84 VanDerWaalsContact CG2-CD1 3.5Å; V63-Y84 HydrophobicContact CG2-CE1 3.75Å; V63-Y84 HydrophobicContact CG2-CG 4.42Å; L80-Y84 HydrophobicContact CB-CE2 4.49Å; L80-Y84 HydrophobicContact CD1-CE2 4.37Å; L80-Y84 HydrophobicContact CD2-CE2 3.71Å; L80-Y84 HydrophobicContact CG-CD2 4.1Å; L80-Y84 HydrophobicContact CG-CE2 3.49Å; L80-Y84 VanDerWaalsContact CG-CE2 3.49Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.48Å; S81-Y84 PolarHBondContact O-N 3.2Å; C82-Y84 VanDerWaalsContact C-N 3.3Å; C82-Y84 PolarHBondContact O-N 3.13Å; Y84-G87 PolarHBondContact O-N 2.98Å; Y84-W88 PolarHBondContact O-N 3.42Å
85L95.5Very high91.7Very high9 Ų926.8 Ų26.85%0.04713%0.127CC..Hα-helixtrans-68.1-36.6179.6-63.8169.9000112.5Y20 T23 F24 L27 S81 C82 V83 G87 W88 C89 L147Y20-L85 HydrophobicContact CD1-CD2 4.1Å; Y20-L85 HydrophobicContact CD1-CG 4.22Å; T23-L85 HydrophobicContact CG2-CD2 4.19Å; F24-L85 HydrophobicContact CB-CD2 3.94Å; F24-L85 HydrophobicContact CD2-CD2 4.35Å; L27-L85 HydrophobicContact CD1-CD1 3.75Å; L27-L85 HydrophobicContact CD1-CD2 3.82Å; L27-L85 HydrophobicContact CD1-CG 4.31Å; S81-L85 WeakPolarHBondContact O-CG 3.39Å; S81-L85 PolarHBondContact O-N 3.04Å; C82-L85 CarbonylContact O-C 3.6Å; C82-L85 PolarHBondContact O-N 3.33Å; V83-L85 PolarHBondContact O-N 3.44Å; L85-G87 VanDerWaalsContact C-N 3.34Å; L85-W88 PolarHBondContact O-N 3.45Å; L85-C89 PolarHBondContact O-N 3.49Å; L85-C89 PolarHBondContact O-SG 3.16Å; L85-L147 HydrophobicContact CB-CD1 3.94Å; L85-L147 HydrophobicContact CB-CD2 4.32Å; L85-L147 HydrophobicContact CD1-CD2 3.68Å
86I97.5Very high92.8Very high0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-65.6-38.6171-63.5-63000111V62 C82 V83 W88 C89 V90 I144 L147 F148 L170 C240 L244V62-I86 HydrophobicContact CG1-CG2 4.17Å; C82-I86 WeakPolarHBondContact O-CG1 3.14Å; C82-I86 PolarHBondContact O-N 2.77Å; V83-I86 PolarHBondContact O-N 3Å; I86-W88 VanDerWaalsContact C-N 3.26Å; I86-W88 PolarHBondContact O-N 2.82Å; I86-C89 WeakPolarHBondContact O-CB 3.4Å; I86-C89 PolarHBondContact O-N 3.15Å; I86-C89 VanDerWaalsContact O-N 3.1Å; I86-V90 PolarHBondContact O-N 2.75Å; I86-I144 HydrophobicContact CD1-CG1 3.94Å; I86-L147 HydrophobicContact CD1-CD1 3.85Å; I86-L147 HydrophobicContact CG1-CD1 4.45Å; I86-F148 HydrophobicContact CD1-CE2 4.22Å; I86-L170 HydrophobicContact CD1-CD1 4.25Å; I86-L170 HydrophobicContact CG2-CD2 4.48Å; I86-C240 HydrophobicContact CG2-CB 4.19Å; I86-L244 HydrophobicContact CB-CD1 4.11Å; I86-L244 HydrophobicContact CG1-CD1 4.3Å; I86-L244 HydrophobicContact CG1-CD2 4.42Å; I86-L244 HydrophobicContact CG2-CD1 4.02Å
87G98.1Very high94.1Very high0 Ų022.1 Ų22.10%010%0.099CC..Hα-helixtrans-56.5-41170.500000112.5F17 G59 V83 Y84 L85 V90 E91F17-G87 VanDerWaalsContact CE2-C 3.47Å; G59-G87 VanDerWaalsContact CA-O 3.24Å; G59-G87 WeakPolarHBondContact CA-O 3.48Å; V83-G87 PolarHBondContact O-N 2.87Å; Y84-G87 PolarHBondContact O-N 2.98Å; L85-G87 VanDerWaalsContact C-N 3.34Å; G87-V90 WeakPolarHBondContact O-CB 3.21Å; G87-V90 PolarHBondContact O-N 3.41Å; G87-E91 PolarHBondContact O-N 3.3Å; G87-E91 VanDerWaalsContact O-N 3.09Å
88W96.7Very high95.2Very high1 Ų113.7 Ų13.70%0.0047%0.069CC..Hα-helixtrans-69.8-32.3174.5-81.6111.1000113.1F17 F21 F24 L51 Y84 L85 I86 V90 E91 L92F17-W88 HydrophobicContact CD1-CZ2 4.07Å; F17-W88 AromaticContact CE1-CD2 3.96Å; F17-W88 HydrophobicContact CE1-CD2 3.96Å; F17-W88 AromaticContact CE1-CE2 3.6Å; F17-W88 HydrophobicContact CE1-CE3 4.29Å; F17-W88 AromaticContact CE1-CH2 4Å; F17-W88 HydrophobicContact CE1-CH2 4Å; F17-W88 AromaticContact CE1-CZ2 3.62Å; F17-W88 HydrophobicContact CE1-CZ2 3.62Å; F17-W88 HydrophobicContact CE1-CZ3 4.31Å; F17-W88 AromaticContact CE1-NE1 4Å; F17-W88 HydrophobicContact CE2-CB 4.49Å; F17-W88 AromaticContact CE2-CD1 3.62Å; F17-W88 HydrophobicContact CE2-CD2 4.12Å; F17-W88 AromaticContact CE2-CG 3.85Å; F17-W88 HydrophobicContact CE2-CG 3.85Å; F17-W88 AromaticContact CE2-NE1 3.74Å; F17-W88 HydrophobicContact CZ-CB 4.43Å; F17-W88 AromaticContact CZ-CD1 3.83Å; F17-W88 AromaticContact CZ-CD2 3.5Å; F17-W88 HydrophobicContact CZ-CD2 3.5Å; F17-W88 AromaticContact CZ-CE2 3.54Å; F17-W88 AromaticContact CZ-CE3 4Å; F17-W88 HydrophobicContact CZ-CE3 4Å; F17-W88 AromaticContact CZ-CG 3.7Å; F17-W88 HydrophobicContact CZ-CG 3.7Å; F17-W88 HydrophobicContact CZ-CH2 4.5Å; F17-W88 HydrophobicContact CZ-CZ2 4.06Å; F17-W88 HydrophobicContact CZ-CZ3 4.46Å; F17-W88 AromaticContact CZ-NE1 3.72Å; F17-W88 PolarHBondContact O-NE1 3Å; F21-W88 HydrophobicContact CB-CH2 4.04Å; F21-W88 HydrophobicContact CB-CZ2 3.55Å; F21-W88 HydrophobicContact CD2-CD2 4.32Å; F21-W88 HydrophobicContact CD2-CE3 4.04Å; F21-W88 AromaticContact CD2-CH2 3.36Å; F21-W88 HydrophobicContact CD2-CH2 3.36Å; F21-W88 AromaticContact CD2-CZ2 3.68Å; F21-W88 HydrophobicContact CD2-CZ2 3.68Å; F21-W88 AromaticContact CD2-CZ3 3.56Å; F21-W88 HydrophobicContact CD2-CZ3 3.56Å; F21-W88 HydrophobicContact CE2-CH2 4.15Å; F21-W88 HydrophobicContact CE2-CZ3 4.02Å; F21-W88 HydrophobicContact CG-CH2 4.02Å; F21-W88 HydrophobicContact CG-CZ2 4.03Å; F24-W88 HydrophobicContact CB-CB 4.02Å; F24-W88 HydrophobicContact CB-CG 3.93Å; F24-W88 HydrophobicContact CD1-CB 3.8Å; F24-W88 HydrophobicContact CD1-CD2 4.32Å; F24-W88 HydrophobicContact CD1-CE3 4.37Å; F24-W88 HydrophobicContact CD1-CG 4.11Å; F24-W88 HydrophobicContact CD2-CB 3.25Å; F24-W88 HydrophobicContact CD2-CG 4.09Å; F24-W88 HydrophobicContact CE1-CB 3.99Å; F24-W88 HydrophobicContact CE2-CB 3.44Å; F24-W88 VanDerWaalsContact CE2-CB 3.44Å; F24-W88 HydrophobicContact CG-CB 3.41Å; F24-W88 VanDerWaalsContact CG-CB 3.41Å; F24-W88 HydrophobicContact CG-CD2 4.42Å; F24-W88 AromaticContact CG-CG 3.79Å; F24-W88 HydrophobicContact CG-CG 3.79Å; F24-W88 HydrophobicContact CZ-CB 3.82Å; F24-W88 WeakPolarHBondContact CZ-O 3.36Å; L51-W88 HydrophobicContact CB-CZ3 4.49Å; L51-W88 HydrophobicContact CD2-CE3 4.05Å; L51-W88 HydrophobicContact CD2-CZ3 4.12Å; Y84-W88 PolarHBondContact O-N 3.42Å; L85-W88 PolarHBondContact O-N 3.45Å; I86-W88 VanDerWaalsContact C-N 3.26Å; I86-W88 PolarHBondContact O-N 2.82Å; W88-V90 VanDerWaalsContact C-N 3.28Å; W88-V90 PolarHBondContact O-N 3.44Å; W88-E91 HydrophobicContact CE3-CB 4.1Å; W88-E91 HydrophobicContact CZ3-CB 4.42Å; W88-E91 PolarHBondContact O-N 3.03Å; W88-L92 WeakPolarHBondContact O-CB 3.42Å; W88-L92 PolarHBondContact O-N 3.26Å
89C97.8Very high96.1Very high1 Ų18.3 Ų8.31%0.0075%0.045CC..Hα-helixtrans-60.7-39.2170.2-62.20000111.2L85 I86 L92 L93 S140 F174L85-C89 PolarHBondContact O-N 3.49Å; L85-C89 PolarHBondContact O-SG 3.16Å; I86-C89 WeakPolarHBondContact O-CB 3.4Å; I86-C89 PolarHBondContact O-N 3.15Å; I86-C89 VanDerWaalsContact O-N 3.1Å; C89-L92 PolarHBondContact O-N 2.95Å; C89-L93 WeakPolarHBondContact O-CB 3.43Å; C89-L93 PolarHBondContact O-N 2.91Å; C89-S140 WeakPolarHBondContact O-CB 3.19Å; C89-F174 HydrophobicContact CB-CE1 4.11Å; C89-F174 HydrophobicContact CB-CZ 3.96Å
90V98.5Very high96.6Very high2 Ų210 Ų101%0.0125%0.054CC..Hα-helixtrans-65.8-42174.7175.50000111.8R58 V62 I86 G87 W88 L92 L93 H94 F174 L236 P237R58-V90 HydrophobicContact CB-CG1 3.72Å; V62-V90 HydrophobicContact CG2-CB 4.33Å; V62-V90 HydrophobicContact CG2-CG2 3.78Å; I86-V90 PolarHBondContact O-N 2.75Å; G87-V90 WeakPolarHBondContact O-CB 3.21Å; G87-V90 PolarHBondContact O-N 3.41Å; W88-V90 VanDerWaalsContact C-N 3.28Å; W88-V90 PolarHBondContact O-N 3.44Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-L93 PolarHBondContact O-N 3.06Å; V90-H94 WeakPolarHBondContact O-CB 3.47Å; V90-H94 PolarHBondContact O-N 2.91Å; V90-F174 HydrophobicContact CG2-CE2 4.36Å; V90-F174 HydrophobicContact CG2-CZ 3.7Å; V90-L236 HydrophobicContact CG1-CD2 4.17Å; V90-L236 HydrophobicContact CG2-CD2 4.3Å; V90-L236 HydrophobicContact CG2-CG 4.28Å; V90-P237 HydrophobicContact CG1-CB 4.36Å
91E97.8Very high96.9Very high11 Ų119.5 Ų9.55%0.0515%0.052CC..Hα-helixtrans-66.1-35.6175.2-69.9-64.1153.500112.3F17 R56 R58 G59 G87 W88 H94 A95F17-E91 HydrophobicContact CE1-CG 4.29Å; F17-E91 HydrophobicContact CZ-CG 3.96Å; R56-E91 VanDerWaalsContact CA-OE1 3.3Å; R56-E91 WeakPolarHBondContact CA-OE1 3.02Å; R58-E91 WeakPolarHBondContact CA-OE1 3.4Å; R58-E91 WeakPolarHBondContact CB-OE1 3.46Å; R58-E91 PolarHBondContact N-OE1 2.85Å; G59-E91 PolarHBondContact N-OE1 2.89Å; G87-E91 PolarHBondContact O-N 3.3Å; G87-E91 VanDerWaalsContact O-N 3.09Å; W88-E91 HydrophobicContact CE3-CB 4.1Å; W88-E91 HydrophobicContact CZ3-CB 4.42Å; W88-E91 PolarHBondContact O-N 3.03Å; E91-H94 PolarHBondContact O-N 2.77Å; E91-H94 IonicContact OE2-CD2 2.66Å; E91-A95 WeakPolarHBondContact O-CB 3.35Å; E91-A95 PolarHBondContact O-N 3.02Å
92L97.2Very high97.1Very high0 Ų07.5 Ų7.50%04%0.038CC..Hα-helixtrans-66.5-43.3175.2-170.770.2000111.8F24 L28 T47 L51 W88 C89 V90 H94 A95 G96 L136 L143F24-L92 HydrophobicContact CE1-CB 4.34Å; F24-L92 HydrophobicContact CE1-CD1 4.39Å; F24-L92 HydrophobicContact CE1-CD2 4.36Å; F24-L92 HydrophobicContact CZ-CB 3.86Å; F24-L92 HydrophobicContact CZ-CD1 4.5Å; F24-L92 HydrophobicContact CZ-CD2 3.77Å; F24-L92 HydrophobicContact CZ-CG 4.26Å; L28-L92 HydrophobicContact CD2-CD2 4Å; T47-L92 HydrophobicContact CG2-CD1 4.16Å; L51-L92 HydrophobicContact CD1-CD1 3.78Å; L51-L92 HydrophobicContact CD2-CB 4.38Å; L51-L92 HydrophobicContact CD2-CD1 3.9Å; L51-L92 HydrophobicContact CG-CD1 4.5Å; W88-L92 WeakPolarHBondContact O-CB 3.42Å; W88-L92 PolarHBondContact O-N 3.26Å; C89-L92 PolarHBondContact O-N 2.95Å; V90-L92 VanDerWaalsContact C-N 3.34Å; L92-H94 VanDerWaalsContact C-N 3.35Å; L92-A95 PolarHBondContact O-N 2.86Å; L92-G96 PolarHBondContact O-N 2.79Å; L92-L136 HydrophobicContact CD1-CB 4.47Å; L92-L136 HydrophobicContact CD1-CD2 3.43Å; L92-L136 VanDerWaalsContact CD1-CD2 3.43Å; L92-L136 HydrophobicContact CG-CD2 4.34Å; L92-L143 HydrophobicContact CD2-CD1 4.22Å
93L97.9Very high97.3Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-59.4-46.8173.2-177.272.1000111C89 V90 A95 G96 F97 I137 F174 L236C89-L93 WeakPolarHBondContact O-CB 3.43Å; C89-L93 PolarHBondContact O-N 2.91Å; V90-L93 PolarHBondContact O-N 3.06Å; L93-A95 PolarHBondContact O-N 2.65Å; L93-G96 PolarHBondContact O-N 3.22Å; L93-F97 HydrophobicContact CD1-CE2 4.03Å; L93-F97 HydrophobicContact CD1-CZ 3.85Å; L93-F97 HydrophobicContact CD2-CE2 3.9Å; L93-F97 HydrophobicContact CD2-CZ 4.32Å; L93-F97 HydrophobicContact CG-CD2 4.24Å; L93-F97 HydrophobicContact CG-CE2 3.61Å; L93-F97 HydrophobicContact CG-CZ 3.98Å; L93-F97 PolarHBondContact O-N 3.02Å; L93-I137 HydrophobicContact CD1-CB 4.24Å; L93-I137 HydrophobicContact CD1-CG1 4.12Å; L93-I137 HydrophobicContact CD1-CG2 3.8Å; L93-F174 HydrophobicContact CB-CE1 4.45Å; L93-F174 HydrophobicContact CD2-CD1 4.12Å; L93-F174 HydrophobicContact CD2-CE1 4.22Å; L93-L236 HydrophobicContact CD2-CD2 3.52Å
94H97.7Very high97.3Very high11 Ų1112.4 Ų12.45%0.0516%0.063CC..Hα-helixtrans-60.1-43.8176.5172.445.3000112.2R58 V90 E91 L92 G96 F97 L98 R111 Y232R58-H94 PolarHBondContact NH1-CD2 3.1Å; R58-H94 PolarHBondContact NH1-CE1 3.26Å; R58-H94 PolarHBondContact NH1-NE2 3.46Å; R58-H94 VanDerWaalsContact NH1-NE2 3.13Å; V90-H94 WeakPolarHBondContact O-CB 3.47Å; V90-H94 PolarHBondContact O-N 2.91Å; E91-H94 PolarHBondContact O-N 2.77Å; E91-H94 IonicContact OE2-CD2 2.66Å; L92-H94 VanDerWaalsContact C-N 3.35Å; H94-G96 VanDerWaalsContact C-N 3.3Å; H94-G96 PolarHBondContact O-N 3.28Å; H94-F97 PolarHBondContact O-N 3.31Å; H94-L98 VanDerWaalsContact CE1-CD1 3.43Å; H94-L98 WeakPolarHBondContact CE1-CD1 3.45Å; H94-L98 WeakPolarHBondContact NE2-CD1 3.24Å; H94-L98 WeakPolarHBondContact O-CG 3.32Å; H94-L98 PolarHBondContact O-N 3.48Å; H94-R111 PolarHBondContact NE2-NH2 3.21Å; H94-Y232 HydrophobicContact CB-CE2 4.48Å; H94-Y232 AromaticContact ND1-CE2 3.63Å
95A97.5Very high97.2Very high3 Ų312.6 Ų12.63%0.0257%0.065CC..Hα-helixtrans-59.6-41.7175.800000111.8N50 L51 E91 L92 L93 L98 V99 L136N50-A95 HydrophobicContact CB-CB 4.1Å; L51-A95 HydrophobicContact CD1-CB 3.72Å; L51-A95 HydrophobicContact CG-CB 4.28Å; E91-A95 WeakPolarHBondContact O-CB 3.35Å; E91-A95 PolarHBondContact O-N 3.02Å; L92-A95 PolarHBondContact O-N 2.86Å; L93-A95 PolarHBondContact O-N 2.65Å; A95-L98 PolarHBondContact O-N 2.76Å; A95-V99 WeakPolarHBondContact O-CG2 3.28Å; A95-V99 PolarHBondContact O-N 2.84Å; A95-L136 HydrophobicContact CB-CD1 4.29Å
96G98Very high97Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-62.2-43.1175.500000113.4L92 L93 H94 V99 L100L92-G96 PolarHBondContact O-N 2.79Å; L93-G96 PolarHBondContact O-N 3.22Å; H94-G96 VanDerWaalsContact C-N 3.3Å; H94-G96 PolarHBondContact O-N 3.28Å; G96-V99 PolarHBondContact O-N 3.19Å; G96-L100 WeakPolarHBondContact O-CG 3.49Å; G96-L100 PolarHBondContact O-N 3.42Å
97F97.9Very high96.9Very high22 Ų2218.6 Ų18.610%0.09610%0.098CC..Hα-helixtrans-61.4-44.2173.3-67.8-39.4000112.2L93 H94 V99 L100 D101 I137 T181 Y232L93-F97 HydrophobicContact CD1-CE2 4.03Å; L93-F97 HydrophobicContact CD1-CZ 3.85Å; L93-F97 HydrophobicContact CD2-CE2 3.9Å; L93-F97 HydrophobicContact CD2-CZ 4.32Å; L93-F97 HydrophobicContact CG-CD2 4.24Å; L93-F97 HydrophobicContact CG-CE2 3.61Å; L93-F97 HydrophobicContact CG-CZ 3.98Å; L93-F97 PolarHBondContact O-N 3.02Å; H94-F97 PolarHBondContact O-N 3.31Å; F97-V99 PolarHBondContact O-N 2.81Å; F97-L100 PolarHBondContact O-N 3.26Å; F97-D101 WeakPolarHBondContact O-CB 3.39Å; F97-D101 PolarHBondContact O-N 3.06Å; F97-I137 HydrophobicContact CD1-CD1 3.72Å; F97-I137 HydrophobicContact CD1-CG1 4.4Å; F97-I137 HydrophobicContact CE1-CD1 3.74Å; F97-I137 HydrophobicContact CE1-CG1 4.35Å; F97-T181 HydrophobicContact CD1-CG2 3.99Å; F97-T181 HydrophobicContact CD2-CG2 4Å; F97-T181 HydrophobicContact CE1-CG2 3.81Å; F97-T181 HydrophobicContact CE2-CG2 3.81Å; F97-T181 HydrophobicContact CG-CG2 4.11Å; F97-T181 HydrophobicContact CZ-CG2 3.74Å; F97-Y232 AromaticContact CD2-CD2 3.84Å; F97-Y232 HydrophobicContact CD2-CD2 3.84Å; F97-Y232 HydrophobicContact CD2-CE2 4.12Å; F97-Y232 HydrophobicContact CD2-CG 4.11Å; F97-Y232 HydrophobicContact CE2-CD2 4.08Å; F97-Y232 HydrophobicContact CE2-CG 4.06Å
98L96.9Very high96.8Very high19 Ų1922.6 Ų22.610%0.09912%0.122CC..Hα-helixtrans-61.5-43.2178-72.3-180000112.6H94 A95 L100 D101 D102H94-L98 VanDerWaalsContact CE1-CD1 3.43Å; H94-L98 WeakPolarHBondContact CE1-CD1 3.45Å; H94-L98 WeakPolarHBondContact NE2-CD1 3.24Å; H94-L98 WeakPolarHBondContact O-CG 3.32Å; H94-L98 PolarHBondContact O-N 3.48Å; A95-L98 PolarHBondContact O-N 2.76Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 3.11Å; L98-D101 PolarHBondContact O-N 3.23Å; L98-D102 VanDerWaalsContact O-CB 3.28Å; L98-D102 WeakPolarHBondContact O-CB 3.37Å; L98-D102 PolarHBondContact O-N 3.17Å
99V98.3Very high96.7Very high1 Ų125.6 Ų25.61%0.00614%0.138CC..Hα-helixtrans-60.6-41.2178.8169.60000111.4N50 A95 G96 F97 I103 W116 G129 L136N50-V99 HydrophobicContact CB-CG2 4.47Å; N50-V99 WeakPolarHBondContact OD1-CG2 3.21Å; A95-V99 WeakPolarHBondContact O-CG2 3.28Å; A95-V99 PolarHBondContact O-N 2.84Å; G96-V99 PolarHBondContact O-N 3.19Å; F97-V99 PolarHBondContact O-N 2.81Å; V99-I103 HydrophobicContact CG1-CD1 4.44Å; V99-I103 WeakPolarHBondContact O-CD1 3.48Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 2.91Å; V99-W116 HydrophobicContact CG2-CB 4.21Å; V99-G129 WeakPolarHBondContact CG1-O 3.34Å; V99-L136 HydrophobicContact CG2-CD1 4.06Å
100L98.1Very high96.5Very high42 Ų4227.9 Ų27.922%0.2215%0.146CC..Hα-helixtrans-73.8-42.7179-66.5174.7000112.2G96 F97 L98 I103 I104 V130 I137G96-L100 WeakPolarHBondContact O-CG 3.49Å; G96-L100 PolarHBondContact O-N 3.42Å; F97-L100 PolarHBondContact O-N 3.26Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 3.11Å; L100-I103 WeakPolarHBondContact O-CB 2.97Å; L100-I103 PolarHBondContact O-N 2.73Å; L100-I103 VanDerWaalsContact O-N 3.16Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.88Å; L100-V130 HydrophobicContact CD2-CG1 4.47Å; L100-I137 HydrophobicContact CD1-CD1 3.69Å
101D96.7Very high96.2Very high24 Ų2431 Ų3113%0.12816%0.158CC..Hα-helixtrans-59.6-46.2176.4-170.669000110.5F97 L98 I103 I104 D105 R110 Q185 K228F97-D101 WeakPolarHBondContact O-CB 3.39Å; F97-D101 PolarHBondContact O-N 3.06Å; L98-D101 PolarHBondContact O-N 3.23Å; D101-I103 PolarHBondContact O-N 2.79Å; D101-I103 VanDerWaalsContact O-N 3.15Å; D101-I104 PolarHBondContact O-N 3.02Å; D101-D105 WeakPolarHBondContact O-CB 3.33Å; D101-D105 PolarHBondContact O-N 3.37Å; D101-R110 IonicContact OD2-NH2 3.65Å; D101-Q185 PolarHBondContact OD1-NE2 3.05Å; D101-Q185 PolarHBondContact OD1-OE1 3.37Å; D101-K228 IonicContact OD1-NZ 2.66Å
102D97.2Very high95.8Very high1 Ų133.1 Ų33.11%0.00518%0.183CC..Hα-helixtrans-57-33.8175.5-73.4-10.3000112.6L98 N106 S107 R110 C115 H117L98-D102 VanDerWaalsContact O-CB 3.28Å; L98-D102 WeakPolarHBondContact O-CB 3.37Å; L98-D102 PolarHBondContact O-N 3.17Å; D102-N106 CarbonylContact O-C 3.41Å; D102-N106 WeakPolarHBondContact O-CA 3.31Å; D102-N106 PolarHBondContact O-N 2.94Å; D102-S107 PolarHBondContact O-N 3.21Å; D102-R110 IonicContact OD1-CZ 2.7Å; D102-R110 IonicContact OD1-NE 3Å; D102-R110 PolarHBondContact OD1-NE 3.42Å; D102-R110 IonicContact OD1-NH2 3.2Å; D102-R110 PolarHBondContact OD1-NH2 3.31Å; D102-R110 IonicContact OD2-NE 3.65Å; D102-C115 HydrophobicContact CB-CB 4.13Å; D102-C115 PolarHBondContact OD2-SG 3.46Å; D102-H117 PolarHBondContact O-CE1 2.74Å; D102-H117 VanDerWaalsContact O-CE1 3.23Å
103I97.1Very high95.7Very high30 Ų3036.4 Ų36.415%0.15420%0.198CC..Hα-helixtrans-74.3-43.6176.2-67.9163.8000110.8V99 L100 D101 D105 N106 H117 G129 V130V99-I103 HydrophobicContact CG1-CD1 4.44Å; V99-I103 WeakPolarHBondContact O-CD1 3.48Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 2.91Å; L100-I103 WeakPolarHBondContact O-CB 2.97Å; L100-I103 PolarHBondContact O-N 2.73Å; L100-I103 VanDerWaalsContact O-N 3.16Å; D101-I103 PolarHBondContact O-N 2.79Å; D101-I103 VanDerWaalsContact O-N 3.15Å; I103-D105 VanDerWaalsContact C-N 3.31Å; I103-D105 PolarHBondContact O-N 2.79Å; I103-N106 PolarHBondContact O-N 3.23Å; I103-H117 HydrophobicContact CD1-CB 3.88Å; I103-H117 HydrophobicContact CG1-CB 3.44Å; I103-H117 VanDerWaalsContact CG1-CB 3.44Å; I103-G129 VanDerWaalsContact CD1-C 3.45Å; I103-V130 HydrophobicContact CD1-CG2 3.97Å; I103-V130 HydrophobicContact CG2-CG2 4.35Å
104I95Very high95.6Very high74 Ų7439.5 Ų39.538%0.37922%0.219SC..Hα-helixtrans-61.7-43.6-179.7-69.6165.8000110.2L100 D101 N106 Q185 V189L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.88Å; D101-I104 PolarHBondContact O-N 3.02Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-Q185 HydrophobicContact CD1-CG 3.77Å; I104-V189 HydrophobicContact CG2-CG2 3.37Å
105D93Very high95.6Very high13 Ų1339 Ų397%0.0722%0.216CC..THydrogen-bonded Turntrans-89.11.1-175.2-64.1-6.1000112D101 I103 S107 E292 K294D101-D105 WeakPolarHBondContact O-CB 3.33Å; D101-D105 PolarHBondContact O-N 3.37Å; I103-D105 VanDerWaalsContact C-N 3.31Å; I103-D105 PolarHBondContact O-N 2.79Å; D105-S107 PolarHBondContact O-N 2.75Å; D105-S107 VanDerWaalsContact O-N 3.13Å; D105-E292 WeakPolarHBondContact CA-OE1 3.25Å; D105-E292 WeakPolarHBondContact CB-OE1 3.35Å; D105-K294 IonicContact OD1-NZ 3.16Å; D105-K294 PolarHBondContact OD1-NZ 3.36Å; D105-K294 IonicContact OD2-NZ 2.86Å
106N93.1Very high95.6Very high124 Ų12439.5 Ų39.566%0.66322%0.218SC*.THydrogen-bonded Turntrans50.235.6-174.1-57.7-80.4000113.2D102 I103 I104D102-N106 CarbonylContact O-C 3.41Å; D102-N106 WeakPolarHBondContact O-CA 3.31Å; D102-N106 PolarHBondContact O-N 2.94Å; I103-N106 PolarHBondContact O-N 3.23Å; I104-N106 VanDerWaalsContact C-N 3.33Å
107S94.7Very high95.6Very high11 Ų1140.3 Ų40.38%0.07722%0.221CC..  trans-64.2139.9179.5-74.20000110.9D102 D105 C115 H117D102-S107 PolarHBondContact O-N 3.21Å; D105-S107 PolarHBondContact O-N 2.75Å; D105-S107 VanDerWaalsContact O-N 3.13Å; S107-C115 VanDerWaalsContact C-SG 3.58Å; S107-C115 WeakPolarHBondContact O-CB 3.43Å; S107-C115 PolarHBondContact O-SG 3.22Å; S107-H117 PolarHBondContact O-CE1 2.86Å
108T95.4Very high95.6Very high84 Ų8440.4 Ų40.452%0.51523%0.225SC..  trans-101.7-27.1-179.254.50000113.4P114 C115T108-P114 WeakPolarHBondContact O-CA 3.16Å; T108-C115 VanDerWaalsContact C-SG 3.59Å; T108-C115 PolarHBondContact O-N 3.45Å
109L94.9Very high95.6Very high65 Ų6540.9 Ų40.934%0.3423%0.228SC..EExtended strand (participates in β ladder)trans-130.8136.5-178.4-69177.4000111.7Q113 C115 V286L109-Q113 CarbonylContact C-O 3.51Å; L109-Q113 WeakPolarHBondContact CA-O 3.41Å; L109-C115 PolarHBondContact N-SG 3.11Å; L109-V286 HydrophobicContact CD1-CG2 4.28Å
110R94.3Very high95.6Very high48 Ų4841.3 Ų41.318%0.18123%0.23CC..EExtended strand (participates in β ladder)trans-138.8123.3173.3-177.861.765.5-1736.9109.3D101 D102 G112 Q113D101-R110 IonicContact OD2-NH2 3.65Å; D102-R110 IonicContact OD1-CZ 2.7Å; D102-R110 IonicContact OD1-NE 3Å; D102-R110 PolarHBondContact OD1-NE 3.42Å; D102-R110 IonicContact OD1-NH2 3.2Å; D102-R110 PolarHBondContact OD1-NH2 3.31Å; D102-R110 IonicContact OD2-NE 3.65Å; R110-G112 PolarHBondContact O-N 3.08Å; R110-Q113 PolarHBondContact N-O 3.07Å; R110-Q113 PolarHBondContact O-N 2.66Å; R110-Q113 VanDerWaalsContact O-N 3.09Å; R110-Q113 VanDerWaalsContact O-O 3.14Å
111R90.5Very high95.6Very high68 Ų6843 Ų4326%0.25724%0.239SC..THydrogen-bonded Turntrans54.738.2178.9-58.3172.8179.5169.12.6112.4N50 S53 H94 Q113 G284N50-R111 PolarHBondContact O-NH1 3.41Å; S53-R111 PolarHBondContact O-NH1 3.11Å; S53-R111 WeakPolarHBondContact OG-CD 3.32Å; H94-R111 PolarHBondContact NE2-NH2 3.21Å; R111-Q113 VanDerWaalsContact C-N 3.26Å; R111-Q113 PolarHBondContact O-N 2.87Å; R111-G284 PolarHBondContact N-O 2.85Å; R111-G284 VanDerWaalsContact N-O 3.16Å
112G90.2Very high95.6Very high56 Ų5648 Ų4858%0.57727%0.265SS*.THydrogen-bonded Turntrans75.28.8178.900000114.9R110 G284R110-G112 PolarHBondContact O-N 3.08Å; G112-G284 PolarHBondContact N-O 3.17Å
113Q94.3Very high95.6Very high69 Ų6951.2 Ų51.232%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-121.8156.2177-60.7-177-55.600110.1L109 R110 R111 C115L109-Q113 CarbonylContact C-O 3.51Å; L109-Q113 WeakPolarHBondContact CA-O 3.41Å; R110-Q113 PolarHBondContact N-O 3.07Å; R110-Q113 PolarHBondContact O-N 2.66Å; R110-Q113 VanDerWaalsContact O-N 3.09Å; R110-Q113 VanDerWaalsContact O-O 3.14Å; R111-Q113 VanDerWaalsContact C-N 3.26Å; R111-Q113 PolarHBondContact O-N 2.87Å; Q113-C115 PolarHBondContact O-N 2.54Å
114P96.3Very high95.6Very high65 Ų6557.3 Ų57.342%0.42232%0.321SS..EExtended strand (participates in β ladder)trans-52.6137.6170.1-26.335.5000111.4Y49 T108 T119Y49-P114 WeakPolarHBondContact CE1-O 3.49Å; Y49-P114 PolarHBondContact OH-O 3Å; T108-P114 WeakPolarHBondContact O-CA 3.16Å; P114-T119 HydrophobicContact CB-CG2 3.96Å
115C97.4Very high95.7Very high1 Ų160.1 Ų60.11%0.00733%0.326CS..  trans-55.9142.7173.8-73.80000110.2D102 S107 T108 L109 Q113 H117 C118 T119D102-C115 HydrophobicContact CB-CB 4.13Å; D102-C115 PolarHBondContact OD2-SG 3.46Å; S107-C115 VanDerWaalsContact C-SG 3.58Å; S107-C115 WeakPolarHBondContact O-CB 3.43Å; S107-C115 PolarHBondContact O-SG 3.22Å; T108-C115 VanDerWaalsContact C-SG 3.59Å; T108-C115 PolarHBondContact O-N 3.45Å; L109-C115 PolarHBondContact N-SG 3.11Å; Q113-C115 PolarHBondContact O-N 2.54Å; C115-H117 VanDerWaalsContact C-N 3.25Å; C115-H117 PolarHBondContact O-N 2.81Å; C115-H117 VanDerWaalsContact O-N 3.16Å; C115-C118 WeakPolarHBondContact O-CB 3.3Å; C115-C118 PolarHBondContact O-N 3.5Å; C115-T119 PolarHBondContact O-N 3.16Å
116W98Very high95.8Very high13 Ų1361.1 Ų61.15%0.04934%0.34CS..Hα-helixtrans-53.3-44.7-172.1174.1-109.3000111.9H42 N45 V46 Y49 V99 C118 T119 Q120 D132H42-W116 AromaticContact CE1-CZ2 3.92Å; N45-W116 HydrophobicContact CB-CH2 4.21Å; V46-W116 HydrophobicContact CB-CZ2 4.07Å; V46-W116 HydrophobicContact CG2-CH2 4.1Å; V46-W116 HydrophobicContact CG2-CZ2 3.31Å; Y49-W116 HydrophobicContact CD1-CB 4.42Å; Y49-W116 HydrophobicContact CD1-CD2 4.43Å; Y49-W116 AromaticContact CD1-CE3 3.51Å; Y49-W116 HydrophobicContact CD1-CE3 3.51Å; Y49-W116 HydrophobicContact CD1-CZ3 4.2Å; Y49-W116 HydrophobicContact CD2-CE3 4.21Å; Y49-W116 HydrophobicContact CD2-CZ3 4.15Å; Y49-W116 HydrophobicContact CE1-CB 4.46Å; Y49-W116 HydrophobicContact CE1-CE3 4.08Å; Y49-W116 AromaticContact CG-CE3 3.57Å; Y49-W116 HydrophobicContact CG-CE3 3.57Å; Y49-W116 AromaticContact CG-CZ3 3.76Å; Y49-W116 HydrophobicContact CG-CZ3 3.76Å; V99-W116 HydrophobicContact CG2-CB 4.21Å; W116-C118 VanDerWaalsContact C-N 3.29Å; W116-C118 PolarHBondContact O-N 3.39Å; W116-T119 PolarHBondContact O-N 3.38Å; W116-T119 VanDerWaalsContact O-N 3.14Å; W116-T119 PolarHBondContact O-OG1 3.34Å; W116-Q120 HydrophobicContact CD2-CG 4.31Å; W116-Q120 VanDerWaalsContact CH2-NE2 3.27Å; W116-Q120 VanDerWaalsContact CZ2-CD 3.46Å; W116-Q120 HydrophobicContact CZ2-CG 4.09Å; W116-Q120 WeakPolarHBondContact O-CG 3.49Å; W116-Q120 PolarHBondContact O-N 3.41Å; W116-D132 PolarHBondContact NE1-OD2 2.91Å
117H97.9Very high96Very high16 Ų1661 Ų617%0.07434%0.339CS..Hα-helixtrans-62-33.7-178.978.9-94.2000113.2D102 I103 S107 C115 Q120 I121D102-H117 PolarHBondContact O-CE1 2.74Å; D102-H117 VanDerWaalsContact O-CE1 3.23Å; I103-H117 HydrophobicContact CD1-CB 3.88Å; I103-H117 HydrophobicContact CG1-CB 3.44Å; I103-H117 VanDerWaalsContact CG1-CB 3.44Å; S107-H117 PolarHBondContact O-CE1 2.86Å; C115-H117 VanDerWaalsContact C-N 3.25Å; C115-H117 PolarHBondContact O-N 2.81Å; C115-H117 VanDerWaalsContact O-N 3.16Å; H117-Q120 PolarHBondContact O-N 3.08Å; H117-I121 WeakPolarHBondContact O-CG1 3.17Å; H117-I121 PolarHBondContact O-N 3.35Å
118C98Very high96.2Very high25 Ų2563 Ų6317%0.16935%0.348CS..Hα-helixtrans-61.8-46.1175.7-52.50000110.6C115 W116 Q120 I121 D122C115-C118 WeakPolarHBondContact O-CB 3.3Å; C115-C118 PolarHBondContact O-N 3.5Å; W116-C118 VanDerWaalsContact C-N 3.29Å; W116-C118 PolarHBondContact O-N 3.39Å; C118-Q120 PolarHBondContact O-N 2.87Å; C118-Q120 VanDerWaalsContact O-N 3.16Å; C118-I121 PolarHBondContact O-N 3.42Å; C118-I121 VanDerWaalsContact O-N 3.14Å; C118-D122 PolarHBondContact O-N 3.39Å
119T97.9Very high96.3Very high28 Ų2859 Ų5917%0.17232%0.324CS..Hα-helixtrans-60.3-29.6177.972.20000112.6P114 C115 W116 S123P114-T119 HydrophobicContact CB-CG2 3.96Å; C115-T119 PolarHBondContact O-N 3.16Å; W116-T119 PolarHBondContact O-N 3.38Å; W116-T119 VanDerWaalsContact O-N 3.14Å; W116-T119 PolarHBondContact O-OG1 3.34Å; T119-S123 WeakPolarHBondContact O-CB 3.12Å; T119-S123 PolarHBondContact O-N 3.46Å; T119-S123 VanDerWaalsContact O-N 3.14Å; T119-S123 PolarHBondContact O-OG 3.36Å
120Q98.2Very high96.5Very high10 Ų1059.2 Ų59.25%0.04733%0.327CS..Hα-helixtrans-79.9-37.1178.5-58-44.3-65.400112.3H42 W116 H117 C118 S123 N124 R125 I128H42-Q120 PolarHBondContact CE1-OE1 2.94Å; W116-Q120 HydrophobicContact CD2-CG 4.31Å; W116-Q120 VanDerWaalsContact CH2-NE2 3.27Å; W116-Q120 VanDerWaalsContact CZ2-CD 3.46Å; W116-Q120 HydrophobicContact CZ2-CG 4.09Å; W116-Q120 WeakPolarHBondContact O-CG 3.49Å; W116-Q120 PolarHBondContact O-N 3.41Å; H117-Q120 PolarHBondContact O-N 3.08Å; C118-Q120 PolarHBondContact O-N 2.87Å; C118-Q120 VanDerWaalsContact O-N 3.16Å; Q120-S123 CarbonylContact O-C 3.58Å; Q120-S123 PolarHBondContact O-N 2.95Å; Q120-N124 PolarHBondContact O-N 2.98Å; Q120-R125 HydrophobicContact CB-CB 4.37Å; Q120-R125 WeakPolarHBondContact O-CA 3.33Å; Q120-R125 WeakPolarHBondContact O-CB 3.29Å; Q120-R125 PolarHBondContact O-N 3.14Å; Q120-I128 HydrophobicContact CB-CG2 3.68Å; Q120-I128 HydrophobicContact CG-CG2 3.82Å
121I97.4Very high96.7Very high78 Ų7861.2 Ų61.240%0.434%0.342SS..Hα-helixtrans-61.1-48.2171.4-69168.4000109.8H117 C118 S123 N124H117-I121 WeakPolarHBondContact O-CG1 3.17Å; H117-I121 PolarHBondContact O-N 3.35Å; C118-I121 PolarHBondContact O-N 3.42Å; C118-I121 VanDerWaalsContact O-N 3.14Å; I121-S123 PolarHBondContact O-N 3.02Å; I121-N124 WeakPolarHBondContact O-CA 3.16Å; I121-N124 PolarHBondContact O-N 3.07Å
122D97.3Very high97Very high129 Ų12958 Ų5869%0.6933%0.33SS*.Hα-helixtrans-60.8-31.3177.1-67.7-18.5000112.4C118 N124C118-D122 PolarHBondContact O-N 3.39Å; D122-N124 PolarHBondContact O-N 2.94Å
123S97.1Very high97.4Very high68 Ų6855.3 Ų55.348%0.47630%0.302SS..THydrogen-bonded Turntrans-83.212.3175.2-600000113.8T119 Q120 I121 R125T119-S123 WeakPolarHBondContact O-CB 3.12Å; T119-S123 PolarHBondContact O-N 3.46Å; T119-S123 VanDerWaalsContact O-N 3.14Å; T119-S123 PolarHBondContact O-OG 3.36Å; Q120-S123 CarbonylContact O-C 3.58Å; Q120-S123 PolarHBondContact O-N 2.95Å; I121-S123 PolarHBondContact O-N 3.02Å; S123-R125 VanDerWaalsContact C-N 3.27Å; S123-R125 PolarHBondContact O-N 3.19Å
124N97.4Very high97.6Very high158 Ų15856.1 Ų56.185%0.84531%0.308SS*.THydrogen-bonded Turntrans57.531.7-177.3-62.2-57.6000114.6Q120 I121 D122Q120-N124 PolarHBondContact O-N 2.98Å; I121-N124 WeakPolarHBondContact O-CA 3.16Å; I121-N124 PolarHBondContact O-N 3.07Å; D122-N124 PolarHBondContact O-N 2.94Å
125R96.8Very high97.6Very high133 Ų13356.6 Ų56.650%0.50231%0.305SS..  trans-103.61.7176.3-53-172.5-165.4-141.1-1.7113.8H42 Q120 S123 L127 I128H42-R125 PolarHBondContact ND1-NH1 3.04Å; Q120-R125 HydrophobicContact CB-CB 4.37Å; Q120-R125 WeakPolarHBondContact O-CA 3.33Å; Q120-R125 WeakPolarHBondContact O-CB 3.29Å; Q120-R125 PolarHBondContact O-N 3.14Å; S123-R125 VanDerWaalsContact C-N 3.27Å; S123-R125 PolarHBondContact O-N 3.19Å; R125-L127 PolarHBondContact O-N 3.14Å; R125-I128 HydrophobicContact CB-CB 4.35Å; R125-I128 HydrophobicContact CB-CG2 3.61Å; R125-I128 PolarHBondContact O-N 3.43Å
126G95.5Very high97.7Very high35 Ų3556.6 Ų56.636%0.36130%0.304SS..THydrogen-bonded Turntrans57.4-134.7176.900000112.7I128G126-I128 PolarHBondContact O-N 3.42Å
127L96.6Very high97.6Very high121 Ų12156.7 Ų56.763%0.63431%0.306SS*.THydrogen-bonded Turntrans-84.624-174.8-60.2178.9000114.2R125 G129 V130R125-L127 PolarHBondContact O-N 3.14Å; L127-G129 PolarHBondContact O-N 3.43Å; L127-V130 HydrophobicContact CB-CG2 4.35Å; L127-V130 WeakPolarHBondContact O-CB 3.31Å; L127-V130 WeakPolarHBondContact O-CG2 3.22Å; L127-V130 PolarHBondContact O-N 2.89Å
128I98.1Very high97.5Very high53 Ų5360.3 Ų60.327%0.27233%0.325SS..Hα-helixtrans-56-24.5177.2-165.8169.9000112.7Q120 R125 G126 V130 N131 D132Q120-I128 HydrophobicContact CB-CG2 3.68Å; Q120-I128 HydrophobicContact CG-CG2 3.82Å; R125-I128 HydrophobicContact CB-CB 4.35Å; R125-I128 HydrophobicContact CB-CG2 3.61Å; R125-I128 PolarHBondContact O-N 3.43Å; G126-I128 PolarHBondContact O-N 3.42Å; I128-V130 PolarHBondContact O-N 3.41Å; I128-V130 VanDerWaalsContact O-N 3.07Å; I128-N131 WeakPolarHBondContact O-CA 3.24Å; I128-N131 WeakPolarHBondContact O-CB 3.49Å; I128-N131 PolarHBondContact O-N 3.23Å; I128-D132 PolarHBondContact O-N 2.94Å
129G98.2Very high97.4Very high0 Ų059.8 Ų59.80%032%0.322CS..Hα-helixtrans-52.7-28.2172.700000114.1V99 I103 L127 D132 G133V99-G129 WeakPolarHBondContact CG1-O 3.34Å; I103-G129 VanDerWaalsContact CD1-C 3.45Å; L127-G129 PolarHBondContact O-N 3.43Å; G129-D132 PolarHBondContact O-N 2.94Å; G129-G133 PolarHBondContact O-N 3.07Å
130V98.4Very high97.3Very high69 Ų6958.4 Ų58.442%0.41831%0.313SS..Hα-helixtrans-63.8-47.4173.1177.50000111L100 I103 L127 I128 D132 L134L100-V130 HydrophobicContact CD2-CG1 4.47Å; I103-V130 HydrophobicContact CD1-CG2 3.97Å; I103-V130 HydrophobicContact CG2-CG2 4.35Å; L127-V130 HydrophobicContact CB-CG2 4.35Å; L127-V130 WeakPolarHBondContact O-CB 3.31Å; L127-V130 WeakPolarHBondContact O-CG2 3.22Å; L127-V130 PolarHBondContact O-N 2.89Å; I128-V130 PolarHBondContact O-N 3.41Å; I128-V130 VanDerWaalsContact O-N 3.07Å; V130-D132 VanDerWaalsContact C-N 3.31Å; V130-L134 PolarHBondContact O-N 2.85Å; V130-L134 VanDerWaalsContact O-N 3.17Å
131N98.4Very high97Very high91 Ų9159.8 Ų59.849%0.48732%0.319SS..Hα-helixtrans-63.6-40.6175175.984.3000110.8I128 L134 H135I128-N131 WeakPolarHBondContact O-CA 3.24Å; I128-N131 WeakPolarHBondContact O-CB 3.49Å; I128-N131 PolarHBondContact O-N 3.23Å; N131-L134 PolarHBondContact O-N 3.38Å; N131-H135 VanDerWaalsContact O-CB 3.3Å; N131-H135 WeakPolarHBondContact O-CB 3.49Å; N131-H135 PolarHBondContact O-N 2.98Å
132D98.4Very high96.8Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-64.2-44.9-178.3-63.1-25.1000112.1H42 V46 W116 I128 G129 V130 H135 L136H42-D132 IonicContact CD2-OD1 3.92Å; H42-D132 PolarHBondContact CD2-OD1 3.22Å; H42-D132 IonicContact CE1-OD2 3.95Å; H42-D132 VanDerWaalsContact NE2-CG 3.25Å; H42-D132 IonicContact NE2-OD1 3.87Å; H42-D132 PolarHBondContact NE2-OD1 2.84Å; H42-D132 IonicContact NE2-OD2 2.76Å; H42-D132 PolarHBondContact NE2-OD2 3.35Å; V46-D132 HydrophobicContact CG1-CB 3.92Å; V46-D132 HydrophobicContact CG2-CB 3.9Å; W116-D132 PolarHBondContact NE1-OD2 2.91Å; I128-D132 PolarHBondContact O-N 2.94Å; G129-D132 PolarHBondContact O-N 2.94Å; V130-D132 VanDerWaalsContact C-N 3.31Å; D132-H135 PolarHBondContact O-N 2.98Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 2.99Å
133G98.3Very high96.5Very high0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-60.6-44.1174.100000112.6G129 H135 L136 I137G129-G133 PolarHBondContact O-N 3.07Å; G133-H135 VanDerWaalsContact C-N 3.35Å; G133-H135 PolarHBondContact O-N 2.88Å; G133-L136 PolarHBondContact O-N 3.3Å; G133-I137 WeakPolarHBondContact O-CG1 3.47Å; G133-I137 PolarHBondContact O-N 3.42Å
134L98Very high96.3Very high86 Ų8652.4 Ų52.445%0.4527%0.267SS..Hα-helixtrans-61.8-42.1174.1179.162.8000111.9V130 N131 I137 L138V130-L134 PolarHBondContact O-N 2.85Å; V130-L134 VanDerWaalsContact O-N 3.17Å; N131-L134 PolarHBondContact O-N 3.38Å; L134-I137 PolarHBondContact O-N 2.85Å; L134-L138 HydrophobicContact CD1-CD1 4Å; L134-L138 HydrophobicContact CD1-CG 4.06Å; L134-L138 HydrophobicContact CD2-CD1 4.45Å; L134-L138 HydrophobicContact CG-CD1 3.88Å; L134-L138 HydrophobicContact CG-CG 4.32Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.17Å
135H97.2Very high95.9Very high75 Ų7548.9 Ų48.935%0.34725%0.246SC..Hα-helixtrans-63.3-44.6179.8-163.2175.2000110.7F43 N131 D132 G133 I137 L138 S139F43-H135 AromaticContact CD1-CE1 3.96Å; F43-H135 HydrophobicContact CD2-CB 4.21Å; F43-H135 AromaticContact CD2-CE1 3.72Å; F43-H135 AromaticContact CD2-CG 3.68Å; F43-H135 AromaticContact CD2-ND1 3.33Å; F43-H135 VanDerWaalsContact CD2-ND1 3.33Å; F43-H135 WeakPolarHBondContact CD2-ND1 3.2Å; F43-H135 HydrophobicContact CE2-CB 3.82Å; F43-H135 AromaticContact CE2-CD2 3.81Å; F43-H135 AromaticContact CE2-CG 3.46Å; F43-H135 VanDerWaalsContact CE2-CG 3.46Å; F43-H135 AromaticContact CE2-ND1 3.64Å; F43-H135 AromaticContact CG-CE1 3.67Å; F43-H135 AromaticContact CG-ND1 3.75Å; F43-H135 AromaticContact CZ-CD2 3.85Å; F43-H135 AromaticContact CZ-CG 4Å; N131-H135 VanDerWaalsContact O-CB 3.3Å; N131-H135 WeakPolarHBondContact O-CB 3.49Å; N131-H135 PolarHBondContact O-N 2.98Å; D132-H135 PolarHBondContact O-N 2.98Å; G133-H135 VanDerWaalsContact C-N 3.35Å; G133-H135 PolarHBondContact O-N 2.88Å; H135-I137 VanDerWaalsContact C-N 3.34Å; H135-I137 PolarHBondContact O-N 3.41Å; H135-L138 PolarHBondContact O-N 2.92Å; H135-S139 PolarHBondContact CD2-OG 3.22Å; H135-S139 VanDerWaalsContact O-CB 3.28Å; H135-S139 WeakPolarHBondContact O-CB 3.26Å; H135-S139 PolarHBondContact O-N 3.06Å; H135-S139 PolarHBondContact O-OG 2.97Å
136L97.5Very high95.4Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-56-46.7174.2-67.6169.8000112F43 V46 T47 L51 L92 A95 V99 D132 G133 S140F43-L136 HydrophobicContact CE2-CD2 3.84Å; F43-L136 HydrophobicContact CE2-CG 4.22Å; F43-L136 HydrophobicContact CZ-CD2 4.16Å; V46-L136 HydrophobicContact CG1-CD1 3.79Å; V46-L136 HydrophobicContact CG1-CD2 3.93Å; V46-L136 HydrophobicContact CG1-CG 3.9Å; T47-L136 HydrophobicContact CG2-CD2 3.7Å; L51-L136 HydrophobicContact CD1-CD2 4.41Å; L92-L136 HydrophobicContact CD1-CB 4.47Å; L92-L136 HydrophobicContact CD1-CD2 3.43Å; L92-L136 VanDerWaalsContact CD1-CD2 3.43Å; L92-L136 HydrophobicContact CG-CD2 4.34Å; A95-L136 HydrophobicContact CB-CD1 4.29Å; V99-L136 HydrophobicContact CG2-CD1 4.06Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 2.99Å; G133-L136 PolarHBondContact O-N 3.3Å; L136-S140 PolarHBondContact O-N 3.39Å
137I97.3Very high95.1Very high15 Ų1541.9 Ų41.98%0.07721%0.21CC..Hα-helixtrans-62-48.9178.2-67.5169.9000110.8L93 F97 L100 G133 L134 H135 S140L93-I137 HydrophobicContact CD1-CB 4.24Å; L93-I137 HydrophobicContact CD1-CG1 4.12Å; L93-I137 HydrophobicContact CD1-CG2 3.8Å; F97-I137 HydrophobicContact CD1-CD1 3.72Å; F97-I137 HydrophobicContact CD1-CG1 4.4Å; F97-I137 HydrophobicContact CE1-CD1 3.74Å; F97-I137 HydrophobicContact CE1-CG1 4.35Å; L100-I137 HydrophobicContact CD1-CD1 3.69Å; G133-I137 WeakPolarHBondContact O-CG1 3.47Å; G133-I137 PolarHBondContact O-N 3.42Å; L134-I137 PolarHBondContact O-N 2.85Å; H135-I137 VanDerWaalsContact C-N 3.34Å; H135-I137 PolarHBondContact O-N 3.41Å; I137-S140 PolarHBondContact O-N 3.44Å; I137-S140 PolarHBondContact O-OG 2.9Å
138L96Very high94.6Very high93 Ų9336.6 Ų36.649%0.48718%0.182SC..Hα-helixtrans-67.5-40-178.3-68.9176.9000112.2L134 H135 S140 K141 Y142L134-L138 HydrophobicContact CD1-CD1 4Å; L134-L138 HydrophobicContact CD1-CG 4.06Å; L134-L138 HydrophobicContact CD2-CD1 4.45Å; L134-L138 HydrophobicContact CG-CD1 3.88Å; L134-L138 HydrophobicContact CG-CG 4.32Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.17Å; H135-L138 PolarHBondContact O-N 2.92Å; L138-S140 VanDerWaalsContact C-N 3.3Å; L138-S140 PolarHBondContact O-N 2.77Å; L138-K141 PolarHBondContact O-N 3.49Å; L138-K141 VanDerWaalsContact O-N 3.16Å; L138-Y142 WeakPolarHBondContact O-CB 3.21Å; L138-Y142 PolarHBondContact O-N 3.43Å
139S95.3Very high93.6Very high13 Ų1337 Ų379%0.09119%0.194CC..Hα-helixtrans-62.6-35.9175.6-65.20000112.1F43 H135 K141 Y142 L143F43-S139 VanDerWaalsContact CZ-OG 3.27Å; F43-S139 WeakPolarHBondContact CZ-OG 3.37Å; H135-S139 PolarHBondContact CD2-OG 3.22Å; H135-S139 VanDerWaalsContact O-CB 3.28Å; H135-S139 WeakPolarHBondContact O-CB 3.26Å; H135-S139 PolarHBondContact O-N 3.06Å; H135-S139 PolarHBondContact O-OG 2.97Å; S139-K141 PolarHBondContact O-N 3.31Å; S139-Y142 PolarHBondContact O-N 3.16Å; S139-L143 WeakPolarHBondContact O-CB 3.47Å; S139-L143 VanDerWaalsContact O-CG 3.31Å; S139-L143 WeakPolarHBondContact O-CG 3.4Å; S139-L143 PolarHBondContact O-N 3.4Å
140S95.6Very high92.1Very high0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-58.7-36.4175.378.30000112.6C89 L136 I137 L138 I144C89-S140 WeakPolarHBondContact O-CB 3.19Å; L136-S140 PolarHBondContact O-N 3.39Å; I137-S140 PolarHBondContact O-N 3.44Å; I137-S140 PolarHBondContact O-OG 2.9Å; L138-S140 VanDerWaalsContact C-N 3.3Å; L138-S140 PolarHBondContact O-N 2.77Å; S140-I144 WeakPolarHBondContact O-CG1 3.43Å
141K93.1Very high89.9Confident38 Ų3844.4 Ų44.417%0.16523%0.228CC..Hα-helixtrans-78.4-45.7176.4-60.9179.7179.7-171.80111.3L138 S139 L143 I144 H145 F174 D175 S178L138-K141 PolarHBondContact O-N 3.49Å; L138-K141 VanDerWaalsContact O-N 3.16Å; S139-K141 PolarHBondContact O-N 3.31Å; K141-L143 PolarHBondContact O-N 3Å; K141-I144 WeakPolarHBondContact O-CB 3.1Å; K141-I144 PolarHBondContact O-N 3.28Å; K141-H145 PolarHBondContact O-CD2 3.01Å; K141-H145 VanDerWaalsContact O-CD2 3.28Å; K141-H145 PolarHBondContact O-N 2.98Å; K141-F174 HydrophobicContact CG-CB 4.29Å; K141-F174 HydrophobicContact CG-CD1 4.45Å; K141-D175 WeakPolarHBondContact CD-OD1 3.45Å; K141-D175 VanDerWaalsContact CE-OD1 3.3Å; K141-D175 WeakPolarHBondContact CE-OD1 3.37Å; K141-D175 IonicContact NZ-OD1 2.69Å; K141-D175 PolarHBondContact NZ-OD1 3.36Å; K141-S178 WeakPolarHBondContact CE-OG 3.18Å
142Y91.2Very high87.8Confident116 Ų11643.6 Ų43.646%0.45522%0.222SC..Hα-helixtrans-58-36.4179.2-173.1-100000112.7H30 L138 S139 I144 H145 S146H30-Y142 AromaticContact CE1-CE1 3.47Å; H30-Y142 VanDerWaalsContact CE1-CE1 3.47Å; H30-Y142 WeakPolarHBondContact CE1-CE1 3.48Å; H30-Y142 AromaticContact NE2-CD1 3.59Å; H30-Y142 AromaticContact NE2-CE1 3.24Å; H30-Y142 WeakPolarHBondContact NE2-CE1 3.34Å; L138-Y142 WeakPolarHBondContact O-CB 3.21Å; L138-Y142 PolarHBondContact O-N 3.43Å; S139-Y142 PolarHBondContact O-N 3.16Å; Y142-I144 VanDerWaalsContact C-N 3.33Å; Y142-I144 PolarHBondContact O-N 3.22Å; Y142-H145 WeakPolarHBondContact O-CB 3.45Å; Y142-H145 PolarHBondContact O-N 3.44Å; Y142-S146 PolarHBondContact O-N 3.47Å; Y142-S146 PolarHBondContact O-OG 3.04Å; Y142-S146 VanDerWaalsContact O-OG 3.1Å
143L91.8Very high85.4Confident3 Ų348.6 Ų48.62%0.01626%0.257CS..Hα-helixtrans-64.7-34.9173.9-75.4176.4000112.9F24 L27 L28 L92 S139 K141 H145 S146 L147F24-L143 HydrophobicContact CD2-CD1 4.07Å; F24-L143 HydrophobicContact CE2-CD1 3.27Å; F24-L143 HydrophobicContact CZ-CD1 3.59Å; L27-L143 HydrophobicContact CB-CD2 3.78Å; L28-L143 HydrophobicContact CD2-CD1 3.43Å; L28-L143 VanDerWaalsContact CD2-CD1 3.43Å; L28-L143 HydrophobicContact CD2-CD2 4.16Å; L28-L143 HydrophobicContact CD2-CG 3.91Å; L28-L143 HydrophobicContact CG-CD1 3.99Å; L92-L143 HydrophobicContact CD2-CD1 4.22Å; S139-L143 WeakPolarHBondContact O-CB 3.47Å; S139-L143 VanDerWaalsContact O-CG 3.31Å; S139-L143 WeakPolarHBondContact O-CG 3.4Å; S139-L143 PolarHBondContact O-N 3.4Å; K141-L143 PolarHBondContact O-N 3Å; L143-H145 VanDerWaalsContact C-N 3.3Å; L143-H145 PolarHBondContact O-N 3.3Å; L143-S146 PolarHBondContact O-N 2.99Å; L143-S146 VanDerWaalsContact O-N 3.14Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.34Å; L143-L147 PolarHBondContact O-N 3.25Å
144I92.6Very high83.2Confident1 Ų155.6 Ų55.61%0.00529%0.294CS..Hα-helixtrans-62.1-41.3173.2-59.2169.1000110I86 S140 K141 Y142 S146 L147 F148 Y167 L170 F174I86-I144 HydrophobicContact CD1-CG1 3.94Å; S140-I144 WeakPolarHBondContact O-CG1 3.43Å; K141-I144 WeakPolarHBondContact O-CB 3.1Å; K141-I144 PolarHBondContact O-N 3.28Å; Y142-I144 VanDerWaalsContact C-N 3.33Å; Y142-I144 PolarHBondContact O-N 3.22Å; I144-S146 VanDerWaalsContact C-N 3.35Å; I144-S146 PolarHBondContact O-N 3.28Å; I144-L147 PolarHBondContact O-N 2.72Å; I144-F148 HydrophobicContact CG2-CD2 4.19Å; I144-F148 HydrophobicContact CG2-CE2 4.46Å; I144-F148 WeakPolarHBondContact O-CD2 3.27Å; I144-F148 PolarHBondContact O-N 2.76Å; I144-Y167 HydrophobicContact CG2-CD2 4.1Å; I144-Y167 HydrophobicContact CG2-CE2 4.17Å; I144-L170 HydrophobicContact CG2-CB 4.15Å; I144-F174 HydrophobicContact CD1-CB 4.25Å; I144-F174 HydrophobicContact CD1-CD1 3.82Å; I144-F174 HydrophobicContact CD1-CD2 3.41Å; I144-F174 VanDerWaalsContact CD1-CD2 3.41Å; I144-F174 HydrophobicContact CD1-CE1 3.94Å; I144-F174 HydrophobicContact CD1-CE2 3.52Å; I144-F174 HydrophobicContact CD1-CG 3.55Å; I144-F174 HydrophobicContact CD1-CZ 3.8Å
145H89.5Confident81Confident85 Ų8552.6 Ų52.639%0.39428%0.279SS..Hα-helixtrans-58.6-47.5172-69.1-93.4000111.1K141 Y142 L143 L147 F148 A149 Y167K141-H145 PolarHBondContact O-CD2 3.01Å; K141-H145 VanDerWaalsContact O-CD2 3.28Å; K141-H145 PolarHBondContact O-N 2.98Å; Y142-H145 WeakPolarHBondContact O-CB 3.45Å; Y142-H145 PolarHBondContact O-N 3.44Å; L143-H145 VanDerWaalsContact C-N 3.3Å; L143-H145 PolarHBondContact O-N 3.3Å; H145-L147 VanDerWaalsContact C-N 3.33Å; H145-L147 PolarHBondContact O-N 3.32Å; H145-F148 PolarHBondContact O-N 2.89Å; H145-A149 WeakPolarHBondContact O-CB 3.48Å; H145-A149 PolarHBondContact O-N 3.47Å; H145-Y167 PolarHBondContact CE1-OH 3.49Å; H145-Y167 AromaticContact ND1-CZ 3.86Å; H145-Y167 PolarHBondContact ND1-OH 2.88Å
146S86.9Confident78.7Confident10 Ų1052.7 Ų52.77%0.0728%0.282CS..Hα-helixtrans-62.1-38.8-178.3-540000112.5Y142 L143 I144 F148Y142-S146 PolarHBondContact O-N 3.47Å; Y142-S146 PolarHBondContact O-OG 3.04Å; Y142-S146 VanDerWaalsContact O-OG 3.1Å; L143-S146 PolarHBondContact O-N 2.99Å; L143-S146 VanDerWaalsContact O-N 3.14Å; I144-S146 VanDerWaalsContact C-N 3.35Å; I144-S146 PolarHBondContact O-N 3.28Å; S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact O-N 3.09Å
147L87.9Confident77.1Confident10 Ų1056.6 Ų56.65%0.05231%0.31CS..Hα-helixtrans-70.7-24.3-179.2-69.9171.3000114.3L27 L85 I86 L143 I144 H145L27-L147 HydrophobicContact CD1-CD2 4.02Å; L85-L147 HydrophobicContact CB-CD1 3.94Å; L85-L147 HydrophobicContact CB-CD2 4.32Å; L85-L147 HydrophobicContact CD1-CD2 3.68Å; I86-L147 HydrophobicContact CD1-CD1 3.85Å; I86-L147 HydrophobicContact CG1-CD1 4.45Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.34Å; L143-L147 PolarHBondContact O-N 3.25Å; I144-L147 PolarHBondContact O-N 2.72Å; H145-L147 VanDerWaalsContact C-N 3.33Å; H145-L147 PolarHBondContact O-N 3.32Å
148F87.9Confident75.8Confident10 Ų1057.5 Ų57.54%0.04431%0.313CS..Hα-helixtrans-116.1-32.7-173.2-76.3-91.8000114.4I86 I144 H145 S146 W160 K163 V166 Y167 L170 L244I86-F148 HydrophobicContact CD1-CE2 4.22Å; I144-F148 HydrophobicContact CG2-CD2 4.19Å; I144-F148 HydrophobicContact CG2-CE2 4.46Å; I144-F148 WeakPolarHBondContact O-CD2 3.27Å; I144-F148 PolarHBondContact O-N 2.76Å; H145-F148 PolarHBondContact O-N 2.89Å; S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact O-N 3.09Å; F148-W160 HydrophobicContact CD1-CZ3 4.44Å; F148-W160 HydrophobicContact CE1-CE3 4.01Å; F148-W160 AromaticContact CE1-CH2 3.97Å; F148-W160 HydrophobicContact CE1-CH2 3.97Å; F148-W160 AromaticContact CE1-CZ3 3.61Å; F148-W160 HydrophobicContact CE1-CZ3 3.61Å; F148-W160 AromaticContact CZ-CH2 3.91Å; F148-W160 HydrophobicContact CZ-CH2 3.91Å; F148-W160 HydrophobicContact CZ-CZ2 4.43Å; F148-W160 HydrophobicContact CZ-CZ3 4.03Å; F148-K163 HydrophobicContact CD1-CG 3.96Å; F148-K163 HydrophobicContact CE1-CG 4.38Å; F148-K163 WeakPolarHBondContact O-CE 3.48Å; F148-V166 HydrophobicContact CE1-CB 4.44Å; F148-V166 HydrophobicContact CE1-CG1 3.82Å; F148-V166 HydrophobicContact CZ-CG1 3.91Å; F148-Y167 HydrophobicContact CB-CD1 4.29Å; F148-Y167 HydrophobicContact CB-CD2 3.39Å; F148-Y167 HydrophobicContact CB-CE2 3.98Å; F148-Y167 HydrophobicContact CB-CG 3.58Å; F148-Y167 HydrophobicContact CD1-CD2 4.44Å; F148-Y167 HydrophobicContact CD1-CG 4.3Å; F148-Y167 AromaticContact CD2-CD2 3.99Å; F148-Y167 HydrophobicContact CD2-CD2 3.99Å; F148-Y167 AromaticContact CG-CD2 3.71Å; F148-Y167 HydrophobicContact CG-CD2 3.71Å; F148-Y167 AromaticContact CG-CG 3.95Å; F148-Y167 HydrophobicContact CG-CG 3.95Å; F148-L170 HydrophobicContact CE2-CD1 3.71Å; F148-L170 HydrophobicContact CZ-CD1 3.67Å; F148-L244 HydrophobicContact CZ-CD2 4.35Å
149A76.2Confident75.1Confident63 Ų6355.8 Ų55.852%0.52131%0.308SS..Hα-helixtrans-94.4-27-173.400000113.7H145H145-A149 WeakPolarHBondContact O-CB 3.48Å; H145-A149 PolarHBondContact O-N 3.47Å
150E66.4Low74.7Confident86 Ų8656 Ų5640%0.40231%0.307SS..SBendtrans-82.2121.3173.9-63.2-174.3172.500109.3Q152E150-Q152 HydrophobicContact CB-CG 4.12Å; E150-Q152 PolarHBondContact O-N 2.79Å; E150-Q152 PolarHBondContact OE2-NE2 3.33Å; E150-Q152 VanDerWaalsContact OE2-NE2 3.09Å
151N53.2Low74.4Confident137 Ų13763.7 Ų63.773%0.73334%0.341SS*.  trans-67.369.6164.7-68.4-18.5000108.4S153N151-S153 PolarHBondContact O-N 3.35Å
152Q53.5Low74.3Confident74 Ų7465.5 Ų65.535%0.34635%0.352SS..  trans-72.5116.5165.1-68-167.512.200106.2E150 D154 V155 D156E150-Q152 HydrophobicContact CB-CG 4.12Å; E150-Q152 PolarHBondContact O-N 2.79Å; E150-Q152 PolarHBondContact OE2-NE2 3.33Å; E150-Q152 VanDerWaalsContact OE2-NE2 3.09Å; Q152-D154 PolarHBondContact O-N 2.92Å; Q152-V155 HydrophobicContact CB-CB 3.9Å; Q152-V155 HydrophobicContact CB-CG2 3.58Å; Q152-V155 PolarHBondContact O-N 3.26Å; Q152-D156 PolarHBondContact O-N 2.92Å; Q152-D156 VanDerWaalsContact O-N 3.16Å
153S49Very low74.2Confident105 Ų10562.1 Ų62.173%0.73434%0.34SS*.THydrogen-bonded Turntrans-53.8-20.2-174.848.60000114.6N151N151-S153 PolarHBondContact O-N 3.35Å
154D52Low74.2Confident148 Ų14867.4 Ų67.479%0.79137%0.368SS*.THydrogen-bonded Turntrans-96-14.6177.2-63.1-34000113.7Q152Q152-D154 PolarHBondContact O-N 2.92Å
155V50.2Low74.3Confident22 Ų2270.4 Ų70.413%0.13338%0.384CS..THydrogen-bonded Turntrans-100.4-17.7-176.2-172.90000111.4Q152 S157 Y158Q152-V155 HydrophobicContact CB-CB 3.9Å; Q152-V155 HydrophobicContact CB-CG2 3.58Å; Q152-V155 PolarHBondContact O-N 3.26Å; V155-S157 PolarHBondContact O-N 3.48Å; V155-Y158 HydrophobicContact CB-CE2 4.35Å; V155-Y158 HydrophobicContact CG1-CD2 3.91Å; V155-Y158 HydrophobicContact CG1-CE2 3.15Å; V155-Y158 WeakPolarHBondContact O-CD2 3.5Å; V155-Y158 WeakPolarHBondContact O-CE2 3.43Å
156D49.7Very low74.6Confident77 Ų7766.5 Ų66.541%0.41237%0.366SS..THydrogen-bonded Turntrans-67.59174-78.5-30.8000114.7Q152 Y158 K163Q152-D156 PolarHBondContact O-N 2.92Å; Q152-D156 VanDerWaalsContact O-N 3.16Å; D156-Y158 VanDerWaalsContact C-N 3.33Å; D156-K163 IonicContact OD1-NZ 2.83Å; D156-K163 PolarHBondContact OD1-NZ 3.47Å
157S63.6Low74.9Confident83 Ų8367.9 Ų67.958%0.5837%0.37SS*.THydrogen-bonded Turntrans-82.7-4.6173.789.70000114.4V155V155-S157 PolarHBondContact O-N 3.48Å
158Y70.1Confident75.3Confident34 Ų3472.7 Ų72.713%0.13340%0.395CS..  trans-73136.7-177.1-57.7-41.4000112.1N79 C82 V155 D156 W160N79-Y158 VanDerWaalsContact OD1-CA 3.31Å; N79-Y158 WeakPolarHBondContact OD1-CA 3.39Å; N79-Y158 WeakPolarHBondContact OD1-CB 3.38Å; C82-Y158 HydrophobicContact CB-CD1 4.48Å; C82-Y158 HydrophobicContact CB-CD2 4.21Å; C82-Y158 HydrophobicContact CB-CE1 3.97Å; C82-Y158 HydrophobicContact CB-CE2 3.56Å; C82-Y158 VanDerWaalsContact CB-CZ 3.49Å; V155-Y158 HydrophobicContact CB-CE2 4.35Å; V155-Y158 HydrophobicContact CG1-CD2 3.91Å; V155-Y158 HydrophobicContact CG1-CE2 3.15Å; V155-Y158 WeakPolarHBondContact O-CD2 3.5Å; V155-Y158 WeakPolarHBondContact O-CE2 3.43Å; D156-Y158 VanDerWaalsContact C-N 3.33Å; Y158-W160 AromaticContact CD2-CH2 3.88Å; Y158-W160 HydrophobicContact CD2-CH2 3.88Å; Y158-W160 AromaticContact CD2-CZ3 3.47Å; Y158-W160 HydrophobicContact CD2-CZ3 3.47Å; Y158-W160 VanDerWaalsContact CD2-CZ3 3.47Å; Y158-W160 HydrophobicContact CE2-CZ3 4.44Å; Y158-W160 HydrophobicContact CG-CE3 4.33Å; Y158-W160 AromaticContact CG-CH2 3.93Å; Y158-W160 HydrophobicContact CG-CH2 3.93Å; Y158-W160 AromaticContact CG-CZ3 3.57Å; Y158-W160 HydrophobicContact CG-CZ3 3.57Å
159S80.6Confident75.7Confident57 Ų5775.2 Ų75.240%0.39941%0.406SS..  trans-11031.6-165.672.50000114.3K78 N79K78-S159 VanDerWaalsContact CD-OG 3.28Å; K78-S159 WeakPolarHBondContact CD-OG 3.42Å; N79-S159 PolarHBondContact OD1-N 2.91Å
160W87.7Confident76.8Confident17 Ų1772.2 Ų72.26%0.06438%0.381CS..  trans-62.3138.7172.1-66.9-69.5000110.4N79 C82 F148 Y158 D162 K163 V166 L244 E246N79-W160 HydrophobicContact CB-CH2 4.17Å; N79-W160 HydrophobicContact CB-CZ2 3.63Å; N79-W160 VanDerWaalsContact ND2-CE2 3.25Å; N79-W160 PolarHBondContact ND2-NE1 2.88Å; N79-W160 VanDerWaalsContact ND2-NE1 3.18Å; C82-W160 HydrophobicContact CB-CH2 3.77Å; C82-W160 HydrophobicContact CB-CZ2 4.48Å; F148-W160 HydrophobicContact CD1-CZ3 4.44Å; F148-W160 HydrophobicContact CE1-CE3 4.01Å; F148-W160 AromaticContact CE1-CH2 3.97Å; F148-W160 HydrophobicContact CE1-CH2 3.97Å; F148-W160 AromaticContact CE1-CZ3 3.61Å; F148-W160 HydrophobicContact CE1-CZ3 3.61Å; F148-W160 AromaticContact CZ-CH2 3.91Å; F148-W160 HydrophobicContact CZ-CH2 3.91Å; F148-W160 HydrophobicContact CZ-CZ2 4.43Å; F148-W160 HydrophobicContact CZ-CZ3 4.03Å; Y158-W160 AromaticContact CD2-CH2 3.88Å; Y158-W160 HydrophobicContact CD2-CH2 3.88Å; Y158-W160 AromaticContact CD2-CZ3 3.47Å; Y158-W160 HydrophobicContact CD2-CZ3 3.47Å; Y158-W160 VanDerWaalsContact CD2-CZ3 3.47Å; Y158-W160 HydrophobicContact CE2-CZ3 4.44Å; Y158-W160 HydrophobicContact CG-CE3 4.33Å; Y158-W160 AromaticContact CG-CH2 3.93Å; Y158-W160 HydrophobicContact CG-CH2 3.93Å; Y158-W160 AromaticContact CG-CZ3 3.57Å; Y158-W160 HydrophobicContact CG-CZ3 3.57Å; W160-D162 VanDerWaalsContact C-N 3.27Å; W160-D162 PolarHBondContact O-N 3.13Å; W160-K163 HydrophobicContact CB-CB 4.36Å; W160-K163 HydrophobicContact CE3-CG 4.2Å; W160-V166 HydrophobicContact CB-CG2 4.33Å; W160-V166 HydrophobicContact CD2-CG1 4.43Å; W160-V166 HydrophobicContact CG-CG2 4.03Å; W160-L244 HydrophobicContact CH2-CD2 4.37Å; W160-L244 HydrophobicContact CZ2-CD2 3.62Å; W160-L244 PolarHBondContact NE1-O 3.43Å; W160-E246 WeakPolarHBondContact CA-OE2 3.33Å
161K89.2Confident78.2Confident162 Ų16269 Ų6970%0.70437%0.368SS*.THydrogen-bonded Turntrans-64.5-38.9176.4-62.8169.7-170.9153.90110.4E74 E246E74-K161 VanDerWaalsContact OE1-CE 3.25Å; E74-K161 WeakPolarHBondContact OE1-CE 3.37Å; E74-K161 IonicContact OE1-NZ 2.66Å; E74-K161 PolarHBondContact OE1-NZ 3.37Å; K161-E246 WeakPolarHBondContact CB-OE1 3.47Å; K161-E246 PolarHBondContact N-OE1 3.28Å; K161-E246 PolarHBondContact N-OE2 2.64Å
162D91Very high80.4Confident75 Ų7568.6 Ų68.640%0.40136%0.36SS..THydrogen-bonded Turntrans-129.875.4175.8-167.2-14.2000111.3W160 N164 N165 V166 E246W160-D162 VanDerWaalsContact C-N 3.27Å; W160-D162 PolarHBondContact O-N 3.13Å; D162-N164 PolarHBondContact O-N 3.24Å; D162-N164 PolarHBondContact OD1-N 3.3Å; D162-N165 HydrophobicContact CB-CB 3.94Å; D162-N165 PolarHBondContact O-N 3.44Å; D162-N165 VanDerWaalsContact O-N 3.16Å; D162-N165 WeakPolarHBondContact OD1-CB 3.47Å; D162-N165 PolarHBondContact OD1-N 3.2Å; D162-N165 WeakPolarHBondContact OD2-CB 3.46Å; D162-V166 PolarHBondContact O-N 2.87Å; D162-E246 PolarHBondContact N-OE1 2.89Å
163K90.2Very high82.5Confident46 Ų4665.6 Ų65.620%0.235%0.346CS..Hα-helixtrans-51.5-38.1176.9-178.7-179.2175.2-1750112.1F148 D156 W160 Y167F148-K163 HydrophobicContact CD1-CG 3.96Å; F148-K163 HydrophobicContact CE1-CG 4.38Å; F148-K163 WeakPolarHBondContact O-CE 3.48Å; D156-K163 IonicContact OD1-NZ 2.83Å; D156-K163 PolarHBondContact OD1-NZ 3.47Å; W160-K163 HydrophobicContact CB-CB 4.36Å; W160-K163 HydrophobicContact CE3-CG 4.2Å; K163-Y167 VanDerWaalsContact O-CB 3.31Å; K163-Y167 WeakPolarHBondContact O-CB 3.3Å; K163-Y167 PolarHBondContact O-N 3.14Å
164N91.8Very high84.8Confident114 Ų11460.7 Ų60.761%0.6131%0.312SS*.Hα-helixtrans-69.3-42.8-178.9-72.9-21.9000111.8D162 Y167 L168D162-N164 PolarHBondContact O-N 3.24Å; D162-N164 PolarHBondContact OD1-N 3.3Å; N164-Y167 PolarHBondContact O-N 3.47Å; N164-L168 WeakPolarHBondContact O-CB 3.45Å; N164-L168 VanDerWaalsContact O-CG 3.3Å; N164-L168 WeakPolarHBondContact O-CG 3.33Å; N164-L168 PolarHBondContact O-N 3.44Å
165N94Very high87Confident64 Ų6457.6 Ų57.634%0.34230%0.295SS..Hα-helixtrans-67-40.8176.1-175.738.3000112.2D162 Y167 L168 K169D162-N165 HydrophobicContact CB-CB 3.94Å; D162-N165 PolarHBondContact O-N 3.44Å; D162-N165 VanDerWaalsContact O-N 3.16Å; D162-N165 WeakPolarHBondContact OD1-CB 3.47Å; D162-N165 PolarHBondContact OD1-N 3.2Å; D162-N165 WeakPolarHBondContact OD2-CB 3.46Å; N165-Y167 VanDerWaalsContact C-N 3.33Å; N165-Y167 PolarHBondContact O-N 3Å; N165-L168 PolarHBondContact O-N 3.1Å; N165-K169 WeakPolarHBondContact O-CB 3.4Å; N165-K169 WeakPolarHBondContact O-CG 3.34Å; N165-K169 PolarHBondContact O-N 2.87Å; N165-K169 WeakPolarHBondContact OD1-CE 3.39Å
166V94.7Very high89.3Confident3 Ų360.3 Ų60.32%0.01831%0.306CS..Hα-helixtrans-56.2-50.1172.6170.80000110.3F148 W160 D162 K169 L170 I243 L244 E246F148-V166 HydrophobicContact CE1-CB 4.44Å; F148-V166 HydrophobicContact CE1-CG1 3.82Å; F148-V166 HydrophobicContact CZ-CG1 3.91Å; W160-V166 HydrophobicContact CB-CG2 4.33Å; W160-V166 HydrophobicContact CD2-CG1 4.43Å; W160-V166 HydrophobicContact CG-CG2 4.03Å; D162-V166 PolarHBondContact O-N 2.87Å; V166-K169 PolarHBondContact O-N 3.38Å; V166-L170 HydrophobicContact CG1-CD1 4.05Å; V166-L170 WeakPolarHBondContact O-CG 3.32Å; V166-L170 PolarHBondContact O-N 3.15Å; V166-I243 HydrophobicContact CG1-CG2 4.22Å; V166-L244 HydrophobicContact CG1-CD2 4.17Å; V166-E246 HydrophobicContact CG2-CG 3.76Å
167Y94.6Very high91.6Very high38 Ų3856.6 Ų56.615%0.14929%0.287CS..Hα-helixtrans-58-50.5178.1171.2-132.1000112.9I144 H145 F148 K163 N164 N165 K169 L170 C171I144-Y167 HydrophobicContact CG2-CD2 4.1Å; I144-Y167 HydrophobicContact CG2-CE2 4.17Å; H145-Y167 PolarHBondContact CE1-OH 3.49Å; H145-Y167 AromaticContact ND1-CZ 3.86Å; H145-Y167 PolarHBondContact ND1-OH 2.88Å; F148-Y167 HydrophobicContact CB-CD1 4.29Å; F148-Y167 HydrophobicContact CB-CD2 3.39Å; F148-Y167 HydrophobicContact CB-CE2 3.98Å; F148-Y167 HydrophobicContact CB-CG 3.58Å; F148-Y167 HydrophobicContact CD1-CD2 4.44Å; F148-Y167 HydrophobicContact CD1-CG 4.3Å; F148-Y167 AromaticContact CD2-CD2 3.99Å; F148-Y167 HydrophobicContact CD2-CD2 3.99Å; F148-Y167 AromaticContact CG-CD2 3.71Å; F148-Y167 HydrophobicContact CG-CD2 3.71Å; F148-Y167 AromaticContact CG-CG 3.95Å; F148-Y167 HydrophobicContact CG-CG 3.95Å; K163-Y167 VanDerWaalsContact O-CB 3.31Å; K163-Y167 WeakPolarHBondContact O-CB 3.3Å; K163-Y167 PolarHBondContact O-N 3.14Å; N164-Y167 PolarHBondContact O-N 3.47Å; N165-Y167 VanDerWaalsContact C-N 3.33Å; N165-Y167 PolarHBondContact O-N 3Å; Y167-K169 PolarHBondContact O-N 2.85Å; Y167-L170 PolarHBondContact O-N 3.25Å; Y167-C171 WeakPolarHBondContact CE2-SG 3.48Å; Y167-C171 PolarHBondContact O-N 3.3Å; Y167-C171 PolarHBondContact O-SG 3.44Å
168L95.8Very high93.3Very high112 Ų11253 Ų5359%0.58626%0.262SS*.Hα-helixtrans-63.1-40.9179.8-72.4173.6000112.2N164 N165 C171 K172N164-L168 WeakPolarHBondContact O-CB 3.45Å; N164-L168 VanDerWaalsContact O-CG 3.3Å; N164-L168 WeakPolarHBondContact O-CG 3.33Å; N164-L168 PolarHBondContact O-N 3.44Å; N165-L168 PolarHBondContact O-N 3.1Å; L168-C171 PolarHBondContact O-N 3.04Å; L168-K172 VanDerWaalsContact O-CB 3.31Å; L168-K172 WeakPolarHBondContact O-CB 3.47Å; L168-K172 PolarHBondContact O-N 3.25Å
169K97.1Very high94.6Very high62 Ų6259.5 Ų59.527%0.2729%0.287SS..Hα-helixtrans-65-40176.7-76.4-177.7175.5-175.20111.9N165 V166 Y167 L173 I243N165-K169 WeakPolarHBondContact O-CB 3.4Å; N165-K169 WeakPolarHBondContact O-CG 3.34Å; N165-K169 PolarHBondContact O-N 2.87Å; N165-K169 WeakPolarHBondContact OD1-CE 3.39Å; V166-K169 PolarHBondContact O-N 3.38Å; Y167-K169 PolarHBondContact O-N 2.85Å; K169-L173 VanDerWaalsContact O-CB 3.23Å; K169-L173 WeakPolarHBondContact O-CB 3.43Å; K169-L173 PolarHBondContact O-N 3.43Å; K169-I243 HydrophobicContact CB-CD1 3.98Å; K169-I243 HydrophobicContact CB-CG1 4.13Å; K169-I243 HydrophobicContact CB-CG2 3.65Å; K169-I243 HydrophobicContact CD-CG1 4.43Å; K169-I243 HydrophobicContact CD-CG2 4.36Å
170L97.9Very high95.5Very high0 Ų058.6 Ų58.60%028%0.276CS..Hα-helixtrans-65-46.7175.8-73171.6000111.9I86 I144 F148 V166 Y167 K172 L173 F174 C240 I243 L244I86-L170 HydrophobicContact CD1-CD1 4.25Å; I86-L170 HydrophobicContact CG2-CD2 4.48Å; I144-L170 HydrophobicContact CG2-CB 4.15Å; F148-L170 HydrophobicContact CE2-CD1 3.71Å; F148-L170 HydrophobicContact CZ-CD1 3.67Å; V166-L170 HydrophobicContact CG1-CD1 4.05Å; V166-L170 WeakPolarHBondContact O-CG 3.32Å; V166-L170 PolarHBondContact O-N 3.15Å; Y167-L170 PolarHBondContact O-N 3.25Å; L170-K172 PolarHBondContact O-N 3.16Å; L170-L173 PolarHBondContact O-N 3.25Å; L170-F174 WeakPolarHBondContact O-CD2 3.35Å; L170-F174 PolarHBondContact O-N 2.57Å; L170-C240 HydrophobicContact CD2-CB 4.21Å; L170-I243 HydrophobicContact CD2-CB 4.29Å; L170-I243 HydrophobicContact CD2-CD1 4.44Å; L170-I243 HydrophobicContact CD2-CG2 4.06Å; L170-I243 HydrophobicContact CG-CG2 3.87Å; L170-L244 HydrophobicContact CD1-CD2 3.9Å; L170-L244 HydrophobicContact CD1-CG 4.35Å; L170-L244 HydrophobicContact CD2-CG 4.5Å
171C97.5Very high96Very high19 Ų1958.1 Ų58.113%0.12828%0.275CS..Hα-helixtrans-58.5-51.1177-65.70000111Y167 L168 L173 F174 D175Y167-C171 WeakPolarHBondContact CE2-SG 3.48Å; Y167-C171 PolarHBondContact O-N 3.3Å; Y167-C171 PolarHBondContact O-SG 3.44Å; L168-C171 PolarHBondContact O-N 3.04Å; C171-L173 VanDerWaalsContact C-N 3.31Å; C171-L173 PolarHBondContact O-N 3.47Å; C171-F174 PolarHBondContact O-N 2.9Å; C171-D175 PolarHBondContact O-N 3.32Å
172K97.7Very high96.4Very high129 Ų12954 Ų5456%0.56127%0.265SS*.Hα-helixtrans-56.4-44.9177.1-179.5177.8174.2-1790111.8L168 L170 D175 E176L168-K172 VanDerWaalsContact O-CB 3.31Å; L168-K172 WeakPolarHBondContact O-CB 3.47Å; L168-K172 PolarHBondContact O-N 3.25Å; L170-K172 PolarHBondContact O-N 3.16Å; K172-D175 PolarHBondContact O-N 3.03Å; K172-E176 WeakPolarHBondContact CE-OE1 3.43Å; K172-E176 HydrophobicContact CG-CG 4.3Å; K172-E176 IonicContact NZ-OE1 3.29Å; K172-E176 WeakPolarHBondContact O-CB 3.31Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 2.88Å
173L98.3Very high96.7Very high11 Ų1152.7 Ų52.76%0.05826%0.263CS..Hα-helixtrans-62.4-47.8179.4179.465.4000111.6K169 L170 C171 D175 E176 I177 Y235 L236 A239 I243K169-L173 VanDerWaalsContact O-CB 3.23Å; K169-L173 WeakPolarHBondContact O-CB 3.43Å; K169-L173 PolarHBondContact O-N 3.43Å; L170-L173 PolarHBondContact O-N 3.25Å; C171-L173 VanDerWaalsContact C-N 3.31Å; C171-L173 PolarHBondContact O-N 3.47Å; L173-D175 VanDerWaalsContact C-N 3.33Å; L173-D175 PolarHBondContact O-N 3.26Å; L173-E176 PolarHBondContact O-N 3.4Å; L173-I177 HydrophobicContact CD1-CD1 4.27Å; L173-I177 HydrophobicContact CD1-CG1 3.76Å; L173-I177 HydrophobicContact CG-CG1 4.29Å; L173-I177 VanDerWaalsContact O-CB 3.31Å; L173-I177 WeakPolarHBondContact O-CB 3.48Å; L173-I177 WeakPolarHBondContact O-CG1 3.24Å; L173-I177 PolarHBondContact O-N 3.26Å; L173-Y235 HydrophobicContact CD1-CE1 3.97Å; L173-L236 HydrophobicContact CD2-CD1 3.87Å; L173-L236 HydrophobicContact CG-CD1 3.75Å; L173-A239 HydrophobicContact CD1-CB 4.16Å; L173-A239 HydrophobicContact CD2-CB 3.62Å; L173-I243 HydrophobicContact CB-CD1 4.19Å; L173-I243 HydrophobicContact CD2-CD1 3.64Å; L173-I243 HydrophobicContact CG-CD1 4.49Å
174F98.4Very high97Very high1 Ų150.5 Ų50.50%0.00425%0.253CS..Hα-helixtrans-62.4-39.9178-91.1-109.2000112.1C89 V90 L93 K141 I144 L170 C171 S178 L236C89-F174 HydrophobicContact CB-CE1 4.11Å; C89-F174 HydrophobicContact CB-CZ 3.96Å; V90-F174 HydrophobicContact CG2-CE2 4.36Å; V90-F174 HydrophobicContact CG2-CZ 3.7Å; L93-F174 HydrophobicContact CB-CE1 4.45Å; L93-F174 HydrophobicContact CD2-CD1 4.12Å; L93-F174 HydrophobicContact CD2-CE1 4.22Å; K141-F174 HydrophobicContact CG-CB 4.29Å; K141-F174 HydrophobicContact CG-CD1 4.45Å; I144-F174 HydrophobicContact CD1-CB 4.25Å; I144-F174 HydrophobicContact CD1-CD1 3.82Å; I144-F174 HydrophobicContact CD1-CD2 3.41Å; I144-F174 VanDerWaalsContact CD1-CD2 3.41Å; I144-F174 HydrophobicContact CD1-CE1 3.94Å; I144-F174 HydrophobicContact CD1-CE2 3.52Å; I144-F174 HydrophobicContact CD1-CG 3.55Å; I144-F174 HydrophobicContact CD1-CZ 3.8Å; L170-F174 WeakPolarHBondContact O-CD2 3.35Å; L170-F174 PolarHBondContact O-N 2.57Å; C171-F174 PolarHBondContact O-N 2.9Å; F174-S178 VanDerWaalsContact O-CB 3.27Å; F174-S178 WeakPolarHBondContact O-CB 3.17Å; F174-S178 PolarHBondContact O-N 2.69Å; F174-S178 PolarHBondContact O-OG 3.45Å; F174-L236 HydrophobicContact CD2-CD1 4.09Å; F174-L236 HydrophobicContact CE2-CD1 4.12Å
175D98.1Very high97.2Very high83 Ų8346.3 Ų46.344%0.44423%0.23SC..Hα-helixtrans-65.4-51.2177-76-28.6000112.4K141 C171 K172 L173 I177 S178 Y179K141-D175 WeakPolarHBondContact CD-OD1 3.45Å; K141-D175 VanDerWaalsContact CE-OD1 3.3Å; K141-D175 WeakPolarHBondContact CE-OD1 3.37Å; K141-D175 IonicContact NZ-OD1 2.69Å; K141-D175 PolarHBondContact NZ-OD1 3.36Å; C171-D175 PolarHBondContact O-N 3.32Å; K172-D175 PolarHBondContact O-N 3.03Å; L173-D175 VanDerWaalsContact C-N 3.33Å; L173-D175 PolarHBondContact O-N 3.26Å; D175-I177 PolarHBondContact O-N 3.4Å; D175-S178 PolarHBondContact O-N 3.19Å; D175-Y179 WeakPolarHBondContact O-CB 3.45Å; D175-Y179 PolarHBondContact O-N 3.14Å
176E98.1Very high97.2Very high79 Ų7946.5 Ų46.537%0.36924%0.235SC..Hα-helixtrans-61.6-43.7179.7-76-174.9-18000112.1K172 L173 Y179 K180K172-E176 WeakPolarHBondContact CE-OE1 3.43Å; K172-E176 HydrophobicContact CG-CG 4.3Å; K172-E176 IonicContact NZ-OE1 3.29Å; K172-E176 WeakPolarHBondContact O-CB 3.31Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 2.88Å; L173-E176 PolarHBondContact O-N 3.4Å; E176-Y179 PolarHBondContact O-N 3.14Å; E176-K180 WeakPolarHBondContact O-CB 3.19Å; E176-K180 WeakPolarHBondContact O-CG 3.28Å; E176-K180 PolarHBondContact O-N 3.38Å
177I98.3Very high97.1Very high0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-68.1-41.5-180-63.8-68.1000110.5L173 D175 Y179 K180 T181 F231 Y232 Y235 L236L173-I177 HydrophobicContact CD1-CD1 4.27Å; L173-I177 HydrophobicContact CD1-CG1 3.76Å; L173-I177 HydrophobicContact CG-CG1 4.29Å; L173-I177 VanDerWaalsContact O-CB 3.31Å; L173-I177 WeakPolarHBondContact O-CB 3.48Å; L173-I177 WeakPolarHBondContact O-CG1 3.24Å; L173-I177 PolarHBondContact O-N 3.26Å; D175-I177 PolarHBondContact O-N 3.4Å; I177-Y179 VanDerWaalsContact C-N 3.31Å; I177-Y179 PolarHBondContact O-N 2.97Å; I177-K180 HydrophobicContact CD1-CD 4.42Å; I177-K180 PolarHBondContact O-N 3.27Å; I177-T181 WeakPolarHBondContact O-CB 3.3Å; I177-T181 PolarHBondContact O-N 3.31Å; I177-T181 PolarHBondContact O-OG1 3.4Å; I177-T181 VanDerWaalsContact O-OG1 3.13Å; I177-F231 HydrophobicContact CD1-CB 3.7Å; I177-F231 HydrophobicContact CD1-CD1 3.82Å; I177-F231 HydrophobicContact CD1-CG 4.09Å; I177-Y232 VanDerWaalsContact CG2-CA 3.5Å; I177-Y232 VanDerWaalsContact CG2-CB 3.49Å; I177-Y235 HydrophobicContact CD1-CD1 3.89Å; I177-Y235 HydrophobicContact CD1-CE1 4.4Å; I177-L236 HydrophobicContact CB-CD1 4.43Å; I177-L236 HydrophobicContact CG1-CB 4.28Å; I177-L236 HydrophobicContact CG1-CD1 4.18Å; I177-L236 HydrophobicContact CG2-CB 4.12Å; I177-L236 HydrophobicContact CG2-CD2 4.11Å; I177-L236 HydrophobicContact CG2-CG 4.49Å
178S98.1Very high97.1Very high8 Ų846 Ų466%0.05624%0.235CC..Hα-helixtrans-60.3-43.1175.5-57.80000111.9K141 F174 D175 T181 C182K141-S178 WeakPolarHBondContact CE-OG 3.18Å; F174-S178 VanDerWaalsContact O-CB 3.27Å; F174-S178 WeakPolarHBondContact O-CB 3.17Å; F174-S178 PolarHBondContact O-N 2.69Å; F174-S178 PolarHBondContact O-OG 3.45Å; D175-S178 PolarHBondContact O-N 3.19Å; S178-T181 PolarHBondContact O-N 2.9Å; S178-C182 PolarHBondContact O-N 3.39Å; S178-C182 PolarHBondContact O-SG 3.33Å
179Y98Very high96.9Very high170 Ų17043.6 Ų43.667%0.66723%0.225SC*.Hα-helixtrans-61.5-46.6176.1172.4-92.9000112.2D175 E176 I177 C182 S183D175-Y179 WeakPolarHBondContact O-CB 3.45Å; D175-Y179 PolarHBondContact O-N 3.14Å; E176-Y179 PolarHBondContact O-N 3.14Å; I177-Y179 VanDerWaalsContact C-N 3.31Å; I177-Y179 PolarHBondContact O-N 2.97Å; Y179-C182 PolarHBondContact O-N 2.91Å; Y179-S183 PolarHBondContact O-N 3.18Å; Y179-S183 PolarHBondContact O-OG 2.97Å
180K98.4Very high96.5Very high38 Ų3844.5 Ų44.517%0.16523%0.232CC..Hα-helixtrans-60.1-46.1176.9-74.9171.5-176.11690111.6E176 I177 S183 G184 W227 F231E176-K180 WeakPolarHBondContact O-CB 3.19Å; E176-K180 WeakPolarHBondContact O-CG 3.28Å; E176-K180 PolarHBondContact O-N 3.38Å; I177-K180 HydrophobicContact CD1-CD 4.42Å; I177-K180 PolarHBondContact O-N 3.27Å; K180-S183 WeakPolarHBondContact O-CB 3.4Å; K180-S183 PolarHBondContact O-N 2.85Å; K180-G184 PolarHBondContact O-N 3.22Å; K180-W227 CarbonylContact C-O 3.45Å; K180-W227 HydrophobicContact CB-CE3 3.89Å; K180-W227 HydrophobicContact CB-CZ3 4.33Å; K180-W227 HydrophobicContact CD-CE3 4.09Å; K180-W227 HydrophobicContact CD-CZ3 3.74Å; K180-W227 HydrophobicContact CG-CE3 3.7Å; K180-W227 HydrophobicContact CG-CZ3 3.63Å; K180-F231 HydrophobicContact CD-CD1 4.25Å; K180-F231 HydrophobicContact CD-CD2 3.96Å; K180-F231 HydrophobicContact CD-CE1 4.45Å; K180-F231 HydrophobicContact CD-CE2 4.2Å; K180-F231 HydrophobicContact CD-CG 4.01Å; K180-F231 HydrophobicContact CD-CZ 4.44Å
181T98.4Very high96.1Very high6 Ų644.5 Ų44.54%0.03723%0.232CC..Hα-helixtrans-64-42.1178.3-63.20000112.4F97 I177 S178 S183 G184 Q185 W227 Y232F97-T181 HydrophobicContact CD1-CG2 3.99Å; F97-T181 HydrophobicContact CD2-CG2 4Å; F97-T181 HydrophobicContact CE1-CG2 3.81Å; F97-T181 HydrophobicContact CE2-CG2 3.81Å; F97-T181 HydrophobicContact CG-CG2 4.11Å; F97-T181 HydrophobicContact CZ-CG2 3.74Å; I177-T181 WeakPolarHBondContact O-CB 3.3Å; I177-T181 PolarHBondContact O-N 3.31Å; I177-T181 PolarHBondContact O-OG1 3.4Å; I177-T181 VanDerWaalsContact O-OG1 3.13Å; S178-T181 PolarHBondContact O-N 2.9Å; T181-S183 VanDerWaalsContact C-N 3.28Å; T181-S183 PolarHBondContact O-N 2.95Å; T181-G184 PolarHBondContact O-N 2.8Å; T181-Q185 WeakPolarHBondContact O-CB 3.22Å; T181-Q185 PolarHBondContact O-N 3.24Å; T181-W227 VanDerWaalsContact CA-O 3.26Å; T181-W227 WeakPolarHBondContact CA-O 3.48Å; T181-W227 PolarHBondContact N-O 3.4Å; T181-Y232 HydrophobicContact CG2-CD1 4.06Å; T181-Y232 WeakPolarHBondContact OG1-CB 3.28Å
182C97.4Very high95.6Very high75 Ų7544.2 Ų44.251%0.50723%0.23SC..Hα-helixtrans-61.8-38.6174-65.90000111.9S178 Y179 Q185 C186S178-C182 PolarHBondContact O-N 3.39Å; S178-C182 PolarHBondContact O-SG 3.33Å; Y179-C182 PolarHBondContact O-N 2.91Å; C182-Q185 PolarHBondContact O-N 2.97Å; C182-C186 WeakPolarHBondContact O-CB 3.46Å; C182-C186 PolarHBondContact O-N 2.88Å
183S97.2Very high94.4Very high49 Ų4941.2 Ų41.234%0.34322%0.221SC..Hα-helixtrans-66.5-41.7176.8-56.20000111.6Y179 K180 T181 C186 L187Y179-S183 PolarHBondContact O-N 3.18Å; Y179-S183 PolarHBondContact O-OG 2.97Å; K180-S183 WeakPolarHBondContact O-CB 3.4Å; K180-S183 PolarHBondContact O-N 2.85Å; T181-S183 VanDerWaalsContact C-N 3.28Å; T181-S183 PolarHBondContact O-N 2.95Å; S183-C186 WeakPolarHBondContact O-CB 3.41Å; S183-C186 PolarHBondContact O-N 2.99Å; S183-L187 PolarHBondContact O-N 3.38Å
184G96.9Very high92.7Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-64.5-43174.400000113.2K180 T181 C186 L187 D188K180-G184 PolarHBondContact O-N 3.22Å; T181-G184 PolarHBondContact O-N 2.8Å; G184-C186 VanDerWaalsContact C-N 3.33Å; G184-C186 PolarHBondContact O-N 3.48Å; G184-L187 WeakPolarHBondContact O-CB 3.31Å; G184-L187 PolarHBondContact O-N 3.29Å; G184-D188 WeakPolarHBondContact O-CB 3.42Å; G184-D188 PolarHBondContact O-N 3.43Å
185Q96.9Very high90.9Very high25 Ų2548.5 Ų48.512%0.11726%0.261CS..Hα-helixtrans-61.6-42174.7-169.666.817.700111.7D101 I104 T181 C182 L187 D188 V189D101-Q185 PolarHBondContact OD1-NE2 3.05Å; D101-Q185 PolarHBondContact OD1-OE1 3.37Å; I104-Q185 HydrophobicContact CD1-CG 3.77Å; T181-Q185 WeakPolarHBondContact O-CB 3.22Å; T181-Q185 PolarHBondContact O-N 3.24Å; C182-Q185 PolarHBondContact O-N 2.97Å; Q185-L187 VanDerWaalsContact C-N 3.35Å; Q185-D188 WeakPolarHBondContact O-CB 3.34Å; Q185-D188 PolarHBondContact O-N 3.49Å; Q185-V189 WeakPolarHBondContact O-CG2 3.5Å; Q185-V189 PolarHBondContact O-N 3.33Å; Q185-V189 VanDerWaalsContact O-N 3.09Å
186C94.4Very high89.2Confident69 Ų6947.4 Ų47.447%0.46626%0.255SS..Hα-helixtrans-60.7-46.2175.2-176.20000111C182 S183 G184 D188 V189 L190C182-C186 WeakPolarHBondContact O-CB 3.46Å; C182-C186 PolarHBondContact O-N 2.88Å; S183-C186 WeakPolarHBondContact O-CB 3.41Å; S183-C186 PolarHBondContact O-N 2.99Å; G184-C186 VanDerWaalsContact C-N 3.33Å; G184-C186 PolarHBondContact O-N 3.48Å; C186-D188 VanDerWaalsContact C-N 3.33Å; C186-D188 PolarHBondContact O-N 3.46Å; C186-V189 PolarHBondContact O-N 3.23Å; C186-L190 WeakPolarHBondContact O-CB 3.48Å; C186-L190 VanDerWaalsContact O-CG 3.24Å; C186-L190 WeakPolarHBondContact O-CG 3.18Å; C186-L190 PolarHBondContact O-N 2.98Å; C186-L190 VanDerWaalsContact SG-CD1 3.58Å
187L92.7Very high87.1Confident22 Ų2252.3 Ų52.312%0.11528%0.278CS..Hα-helixtrans-59.8-43.2177.2-179.660.6000112S183 G184 Q185 L190 S191 I199 A223 I224S183-L187 PolarHBondContact O-N 3.38Å; G184-L187 WeakPolarHBondContact O-CB 3.31Å; G184-L187 PolarHBondContact O-N 3.29Å; Q185-L187 VanDerWaalsContact C-N 3.35Å; L187-L190 PolarHBondContact O-N 3.49Å; L187-S191 VanDerWaalsContact O-CB 3.3Å; L187-S191 WeakPolarHBondContact O-CB 3.49Å; L187-S191 PolarHBondContact O-N 3.2Å; L187-S191 PolarHBondContact O-OG 3.06Å; L187-I199 HydrophobicContact CD1-CB 4.14Å; L187-I199 HydrophobicContact CD1-CD1 3.95Å; L187-I199 HydrophobicContact CD1-CG2 3.29Å; L187-A223 HydrophobicContact CD2-CB 3.64Å; L187-I224 HydrophobicContact CB-CG1 4.32Å; L187-I224 HydrophobicContact CD2-CG1 3.83Å; L187-I224 HydrophobicContact CG-CD1 4.48Å; L187-I224 HydrophobicContact CG-CG1 3.67Å
188D93.7Very high85Confident8 Ų854.3 Ų54.34%0.04329%0.291CS..Hα-helixtrans-56.8-53.4176.8-175.849.7000111.7G184 Q185 C186 L190 S191 S192 I224 K228 K294G184-D188 WeakPolarHBondContact O-CB 3.42Å; G184-D188 PolarHBondContact O-N 3.43Å; Q185-D188 WeakPolarHBondContact O-CB 3.34Å; Q185-D188 PolarHBondContact O-N 3.49Å; C186-D188 VanDerWaalsContact C-N 3.33Å; C186-D188 PolarHBondContact O-N 3.46Å; D188-L190 PolarHBondContact O-N 3.15Å; D188-S191 PolarHBondContact O-N 2.82Å; D188-S191 PolarHBondContact O-OG 3.28Å; D188-S192 PolarHBondContact O-N 2.96Å; D188-S192 PolarHBondContact O-OG 3.33Å; D188-I224 HydrophobicContact CB-CG1 4.49Å; D188-I224 HydrophobicContact CB-CG2 3.98Å; D188-K228 HydrophobicContact CB-CD 4.01Å; D188-K228 IonicContact OD2-NZ 2.79Å; D188-K228 PolarHBondContact OD2-NZ 3.46Å; D188-K294 WeakPolarHBondContact OD1-CD 3.34Å; D188-K294 IonicContact OD2-NZ 2.65Å; D188-K294 PolarHBondContact OD2-NZ 3.27Å
189V91.8Very high83.2Confident61 Ų6156.4 Ų56.437%0.3730%0.302SS..Hα-helixtrans-62.3-46.7178174.70000111.9I104 Q185 C186 S191 S192I104-V189 HydrophobicContact CG2-CG2 3.37Å; Q185-V189 WeakPolarHBondContact O-CG2 3.5Å; Q185-V189 PolarHBondContact O-N 3.33Å; Q185-V189 VanDerWaalsContact O-N 3.09Å; C186-V189 PolarHBondContact O-N 3.23Å; V189-S191 PolarHBondContact O-N 2.98Å; V189-S192 WeakPolarHBondContact O-CB 3.3Å; V189-S192 PolarHBondContact O-N 2.92Å; V189-S192 VanDerWaalsContact O-N 3.16Å
190L89.2Confident81.3Confident81 Ų8151.9 Ų51.942%0.42429%0.289SS..Hα-helixtrans-64.9-30-178.9-70.2177.2000111.8C186 L187 D188 S192 N196 I199C186-L190 WeakPolarHBondContact O-CB 3.48Å; C186-L190 VanDerWaalsContact O-CG 3.24Å; C186-L190 WeakPolarHBondContact O-CG 3.18Å; C186-L190 PolarHBondContact O-N 2.98Å; C186-L190 VanDerWaalsContact SG-CD1 3.58Å; L187-L190 PolarHBondContact O-N 3.49Å; D188-L190 PolarHBondContact O-N 3.15Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-N196 WeakPolarHBondContact O-CB 3.31Å; L190-N196 PolarHBondContact O-ND2 3.06Å; L190-I199 HydrophobicContact CB-CD1 3.64Å; L190-I199 HydrophobicContact CB-CG1 4.41Å
191S88.8Confident79Confident0 Ų057.5 Ų57.50%032%0.32CS..Hα-helixtrans-76.5-19.817875.20000113.5L187 D188 V189 N193 I199 N215 I224 C295L187-S191 VanDerWaalsContact O-CB 3.3Å; L187-S191 WeakPolarHBondContact O-CB 3.49Å; L187-S191 PolarHBondContact O-N 3.2Å; L187-S191 PolarHBondContact O-OG 3.06Å; D188-S191 PolarHBondContact O-N 2.82Å; D188-S191 PolarHBondContact O-OG 3.28Å; V189-S191 PolarHBondContact O-N 2.98Å; S191-N193 VanDerWaalsContact C-N 3.29Å; S191-N193 PolarHBondContact O-N 3.36Å; S191-I199 VanDerWaalsContact N-CD1 3.3Å; S191-N215 WeakPolarHBondContact O-CB 3.35Å; S191-I224 WeakPolarHBondContact OG-CD1 3.49Å; S191-C295 WeakPolarHBondContact OG-CB 3.38Å
192S87.6Confident76.8Confident13 Ų1366.4 Ų66.49%0.09135%0.353CS..THydrogen-bonded Turntrans-71.5-18.6-169.8-58.40000114.5D188 V189 L190 G293 K294D188-S192 PolarHBondContact O-N 2.96Å; D188-S192 PolarHBondContact O-OG 3.33Å; V189-S192 WeakPolarHBondContact O-CB 3.3Å; V189-S192 PolarHBondContact O-N 2.92Å; V189-S192 VanDerWaalsContact O-N 3.16Å; L190-S192 VanDerWaalsContact C-N 3.33Å; S192-G293 CarbonylContact C-O 3.59Å; S192-G293 VanDerWaalsContact CA-O 3.25Å; S192-G293 WeakPolarHBondContact CA-O 3.35Å; S192-G293 CarbonylContact O-C 3.43Å; S192-G293 WeakPolarHBondContact O-CA 3.35Å; S192-K294 VanDerWaalsContact OG-CD 3.31Å; S192-K294 WeakPolarHBondContact OG-CD 3.11Å
193N72.7Confident74.2Confident67 Ų6773.5 Ų73.536%0.35838%0.375SS..  trans-105.5118.1178-175.2-11.2000110.5S191 N195 N196 N215S191-N193 VanDerWaalsContact C-N 3.29Å; S191-N193 PolarHBondContact O-N 3.36Å; N193-N195 PolarHBondContact O-N 2.9Å; N193-N195 WeakPolarHBondContact OD1-CB 3.18Å; N193-N195 PolarHBondContact OD1-N 3.48Å; N193-N195 PolarHBondContact OD1-ND2 3.42Å; N193-N196 HydrophobicContact CB-CB 4.45Å; N193-N196 WeakPolarHBondContact O-CB 3.35Å; N193-N196 PolarHBondContact O-N 2.83Å; N193-N215 PolarHBondContact O-ND2 3.18Å
194P60.8Low71.7Confident26 Ų2675.2 Ų75.217%0.16938%0.378CS..THydrogen-bonded Turntrans-65.2-11.5178.424.8-32.3000114F212P194-F212 HydrophobicContact CB-CB 4.44Å; P194-F212 HydrophobicContact CB-CD2 3.45Å; P194-F212 VanDerWaalsContact CB-CD2 3.45Å; P194-F212 HydrophobicContact CB-CE2 4.06Å; P194-F212 HydrophobicContact CB-CG 4.26Å; P194-F212 HydrophobicContact CG-CD2 3.92Å; P194-F212 HydrophobicContact CG-CE2 4.15Å
195N61.3Low69.1Low139 Ų13981.5 Ų81.574%0.74341%0.412SS*.THydrogen-bonded Turntrans-89.9-8172.8-60.4-53.3000113.7N193N193-N195 PolarHBondContact O-N 2.9Å; N193-N195 WeakPolarHBondContact OD1-CB 3.18Å; N193-N195 PolarHBondContact OD1-N 3.48Å; N193-N195 PolarHBondContact OD1-ND2 3.42Å
196N61.7Low66.6Low59 Ų5988.9 Ų88.932%0.31645%0.452SS..SBendtrans-68.3143.2173.9-73.2-8.8000109.6L190 N193L190-N196 WeakPolarHBondContact O-CB 3.31Å; L190-N196 PolarHBondContact O-ND2 3.06Å; N193-N196 HydrophobicContact CB-CB 4.45Å; N193-N196 WeakPolarHBondContact O-CB 3.35Å; N193-N196 PolarHBondContact O-N 2.83Å
197Q55.7Low64.2Low182 Ų18291.1 Ų91.185%0.8546%0.459SS*.PPolyproline II helixtrans-59.6149.3175.2-72.6-177.1-6.300110.7I199Q197-I199 PolarHBondContact O-N 3.4Å
198C53.1Low62.2Low42 Ų4299.6 Ų99.628%0.28450%0.498SS..PPolyproline II helixtrans-49125.7-178.4-171.70000111.1L200C198-L200 PolarHBondContact SG-O 2.98Å
199I60.7Low60.5Low53 Ų53103.7 Ų103.727%0.27252%0.515SS..SBendtrans-84.2-23.5-178.8-52.6168.9000111.6L187 L190 S191 Q197L187-I199 HydrophobicContact CD1-CB 4.14Å; L187-I199 HydrophobicContact CD1-CD1 3.95Å; L187-I199 HydrophobicContact CD1-CG2 3.29Å; L190-I199 HydrophobicContact CB-CD1 3.64Å; L190-I199 HydrophobicContact CB-CG1 4.41Å; S191-I199 VanDerWaalsContact N-CD1 3.3Å; Q197-I199 PolarHBondContact O-N 3.4Å
200L58.1Low59.4Low75 Ų75102.9 Ų102.939%0.39351%0.509SS..  trans-132.8101.1-178.5-63.9176.7000111.1C198 R202 V220C198-L200 PolarHBondContact SG-O 2.98Å; L200-R202 PolarHBondContact O-N 2.94Å; L200-V220 HydrophobicContact CD1-CG2 3.89Å
201D50.7Low58.3Low155 Ų155101.9 Ų101.983%0.82951%0.509SS*.  trans-72.675.4168.4-85.1-13.1000110.5
202R50.4Low57.7Low193 Ų193102.2 Ų102.273%0.72851%0.51SS*.  trans-114.3122.1159-77-174178.8177.31.1108.4L200 Q204L200-R202 PolarHBondContact O-N 2.94Å; R202-Q204 PolarHBondContact O-N 3.44Å
203K43.2Very low57.2Low224 Ų224102 Ų10297%0.97451%0.508SS*.  trans-58.985.7164.8-72.2-178.7175.1-179.20108.2
204Q44.3Very low57.5Low86 Ų86104.2 Ų104.240%0.40251%0.512SS..  trans-95.5121.5172.5-125.3172.213.900108R202 D219R202-Q204 PolarHBondContact O-N 3.44Å; Q204-D219 PolarHBondContact NE2-OD1 3.43Å; Q204-D219 PolarHBondContact NE2-OD2 3.26Å
205N43.7Very low58.6Low132 Ų132103 Ų10371%0.70650%0.504SS*.SBendtrans25.1115.6163.6-62.9-20.2000117.4L207N205-L207 PolarHBondContact O-N 3.39Å
206N43.1Very low59.9Low180 Ų18096.6 Ų96.696%0.96347%0.469SS*.SBendtrans-324.6159.5-67.7-7.6000122.2
207L46Very low61.1Low115 Ų11595 Ų9560%0.60246%0.462SS*.  trans-96.2113.8165.9-67.9167.8000103.6N205 F209N205-L207 PolarHBondContact O-N 3.39Å; L207-F209 HydrophobicContact CB-CD1 4.38Å; L207-F209 HydrophobicContact CB-CD2 3.75Å; L207-F209 HydrophobicContact CB-CE1 4.17Å; L207-F209 HydrophobicContact CB-CE2 3.48Å; L207-F209 VanDerWaalsContact CB-CE2 3.48Å; L207-F209 HydrophobicContact CB-CG 4.23Å; L207-F209 HydrophobicContact CB-CZ 3.73Å; L207-F209 HydrophobicContact CD1-CE1 4.23Å; L207-F209 HydrophobicContact CD1-CE2 3.68Å; L207-F209 HydrophobicContact CD1-CZ 3.39Å; L207-F209 HydrophobicContact CG-CE2 4.21Å; L207-F209 HydrophobicContact CG-CZ 4.17Å; L207-F209 PolarHBondContact O-N 2.85Å
208E50.7Low62.8Low201 Ų20189.5 Ų89.594%0.93944%0.443SS*.  trans-66.275.5169.4-72.7-174.8160.700108.2D210E208-D210 PolarHBondContact O-N 3.47Å
209F56.3Low64.6Low93 Ų9389.5 Ų89.541%0.40844%0.44SS..  trans-67.5120.7172.9-75.8-55.4000108.1L207 T213 R214L207-F209 HydrophobicContact CB-CD1 4.38Å; L207-F209 HydrophobicContact CB-CD2 3.75Å; L207-F209 HydrophobicContact CB-CE1 4.17Å; L207-F209 HydrophobicContact CB-CE2 3.48Å; L207-F209 VanDerWaalsContact CB-CE2 3.48Å; L207-F209 HydrophobicContact CB-CG 4.23Å; L207-F209 HydrophobicContact CB-CZ 3.73Å; L207-F209 HydrophobicContact CD1-CE1 4.23Å; L207-F209 HydrophobicContact CD1-CE2 3.68Å; L207-F209 HydrophobicContact CD1-CZ 3.39Å; L207-F209 HydrophobicContact CG-CE2 4.21Å; L207-F209 HydrophobicContact CG-CZ 4.17Å; L207-F209 PolarHBondContact O-N 2.85Å; F209-T213 WeakPolarHBondContact CA-OG1 3.31Å; F209-T213 WeakPolarHBondContact CB-OG1 3.5Å; F209-T213 HydrophobicContact CD1-CG2 3.79Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.17Å; F209-T213 HydrophobicContact CE1-CG2 4.23Å; F209-R214 HydrophobicContact CB-CG 4.43Å; F209-R214 PolarHBondContact O-NH1 3.25Å
210D68.8Low66.1Low45 Ų4587.1 Ų87.124%0.24143%0.428CS..  trans-62.4-179.3169.268.39000110.8E208 F212 T213 R214 Y311 K315E208-D210 PolarHBondContact O-N 3.47Å; D210-F212 PolarHBondContact O-N 3.25Å; D210-F212 WeakPolarHBondContact OD1-CB 3.3Å; D210-F212 PolarHBondContact OD1-N 2.88Å; D210-T213 PolarHBondContact N-OG1 3.24Å; D210-T213 PolarHBondContact O-OG1 3.42Å; D210-T213 PolarHBondContact OD1-N 2.99Å; D210-T213 PolarHBondContact OD1-OG1 2.99Å; D210-T213 VanDerWaalsContact OD1-OG1 3.05Å; D210-R214 PolarHBondContact O-NH1 2.84Å; D210-Y311 PolarHBondContact OD1-OH 2.84Å; D210-Y311 PolarHBondContact OD2-OH 3.18Å; D210-K315 IonicContact OD2-NZ 3.46Å; D210-K315 PolarHBondContact OD2-NZ 3.34Å
211S67.6Low67.8Low60 Ų6084.3 Ų84.342%0.4241%0.413SS..THydrogen-bonded Turntrans-61.5-24.8179.557.90000114.4
212F75Confident69.9Low6 Ų681.3 Ų81.33%0.02639%0.393CS..THydrogen-bonded Turntrans-72.9-47.7-175.2176.5-93.2000111.4P194 D210 R214 Y216 I299 Y311 L314 K315P194-F212 HydrophobicContact CB-CB 4.44Å; P194-F212 HydrophobicContact CB-CD2 3.45Å; P194-F212 VanDerWaalsContact CB-CD2 3.45Å; P194-F212 HydrophobicContact CB-CE2 4.06Å; P194-F212 HydrophobicContact CB-CG 4.26Å; P194-F212 HydrophobicContact CG-CD2 3.92Å; P194-F212 HydrophobicContact CG-CE2 4.15Å; D210-F212 PolarHBondContact O-N 3.25Å; D210-F212 WeakPolarHBondContact OD1-CB 3.3Å; D210-F212 PolarHBondContact OD1-N 2.88Å; F212-R214 VanDerWaalsContact C-N 3.33Å; F212-R214 PolarHBondContact O-N 3.4Å; F212-Y216 HydrophobicContact CD1-CD2 4.17Å; F212-Y216 HydrophobicContact CD1-CE2 4.08Å; F212-Y216 HydrophobicContact CD2-CE2 4.08Å; F212-Y216 AromaticContact CE1-CD2 3.9Å; F212-Y216 HydrophobicContact CE1-CD2 3.9Å; F212-Y216 AromaticContact CE1-CE2 3.75Å; F212-Y216 HydrophobicContact CE1-CE2 3.75Å; F212-Y216 AromaticContact CE2-CE2 3.74Å; F212-Y216 HydrophobicContact CE2-CE2 3.74Å; F212-Y216 HydrophobicContact CG-CE2 4.22Å; F212-Y216 HydrophobicContact CZ-CD2 4.16Å; F212-Y216 AromaticContact CZ-CE2 3.56Å; F212-Y216 HydrophobicContact CZ-CE2 3.56Å; F212-Y216 WeakPolarHBondContact O-CD2 3.42Å; F212-Y216 VanDerWaalsContact O-CE2 3.29Å; F212-Y216 WeakPolarHBondContact O-CE2 3.24Å; F212-I299 HydrophobicContact CE1-CD1 4.43Å; F212-I299 HydrophobicContact CZ-CD1 4.24Å; F212-Y311 HydrophobicContact CD1-CE2 4.15Å; F212-Y311 HydrophobicContact CE1-CE2 4.47Å; F212-L314 HydrophobicContact CE1-CD2 4.43Å; F212-K315 HydrophobicContact CB-CD 4.33Å; F212-K315 HydrophobicContact CB-CG 4.36Å; F212-K315 HydrophobicContact CD1-CB 4.44Å; F212-K315 HydrophobicContact CD1-CG 4.34Å; F212-K315 HydrophobicContact CD2-CB 4.5Å; F212-K315 HydrophobicContact CD2-CG 3.89Å; F212-K315 HydrophobicContact CE1-CB 4.4Å; F212-K315 HydrophobicContact CE2-CB 4.45Å; F212-K315 HydrophobicContact CE2-CG 4.26Å; F212-K315 HydrophobicContact CG-CD 4.36Å; F212-K315 HydrophobicContact CG-CG 3.95Å; F212-K315 HydrophobicContact CZ-CB 4.41Å
213T77.2Confident72.1Confident9 Ų973 Ų736%0.05537%0.366CS..G310 helixtrans-71.6-22.4-172.935.20000114.6F209 D210 N215 Y216 L303 Y311F209-T213 WeakPolarHBondContact CA-OG1 3.31Å; F209-T213 WeakPolarHBondContact CB-OG1 3.5Å; F209-T213 HydrophobicContact CD1-CG2 3.79Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.17Å; F209-T213 HydrophobicContact CE1-CG2 4.23Å; D210-T213 PolarHBondContact N-OG1 3.24Å; D210-T213 PolarHBondContact O-OG1 3.42Å; D210-T213 PolarHBondContact OD1-N 2.99Å; D210-T213 PolarHBondContact OD1-OG1 2.99Å; D210-T213 VanDerWaalsContact OD1-OG1 3.05Å; T213-N215 PolarHBondContact O-N 3.39Å; T213-Y216 PolarHBondContact O-N 3.24Å; T213-L303 HydrophobicContact CG2-CD1 4.19Å; T213-L303 HydrophobicContact CG2-CD2 3.88Å; T213-Y311 HydrophobicContact CG2-CE2 3.62Å; T213-Y311 WeakPolarHBondContact CG2-OH 3.25Å
214R78.4Confident74.6Confident113 Ų11362.4 Ų62.443%0.42632%0.32SS..G310 helixtrans-61.6-28.7-178.4-73.4-166.6-65.4-96.78.8114.3F209 D210 F212 Y216F209-R214 HydrophobicContact CB-CG 4.43Å; F209-R214 PolarHBondContact O-NH1 3.25Å; D210-R214 PolarHBondContact O-NH1 2.84Å; F212-R214 VanDerWaalsContact C-N 3.33Å; F212-R214 PolarHBondContact O-N 3.4Å; R214-Y216 VanDerWaalsContact C-N 3.31Å
215N83.9Confident77.1Confident2 Ų258.3 Ų58.31%0.01130%0.301CS..G310 helixtrans-84.1-8.9179.4-67.3-9.2000112.9S191 N193 T213 V220 C295S191-N215 WeakPolarHBondContact O-CB 3.35Å; N193-N215 PolarHBondContact O-ND2 3.18Å; T213-N215 PolarHBondContact O-N 3.39Å; N215-V220 WeakPolarHBondContact O-CG1 3.44Å; N215-C295 WeakPolarHBondContact O-CB 3.37Å; N215-C295 PolarHBondContact O-SG 2.86Å
216Y89.1Confident79.6Confident4 Ų454 Ų542%0.01628%0.276CS..SBendtrans-119.243.4-173.4-50.5-54.8000112.3F212 T213 R214 G293 C295 I299 Y318F212-Y216 HydrophobicContact CD1-CD2 4.17Å; F212-Y216 HydrophobicContact CD1-CE2 4.08Å; F212-Y216 HydrophobicContact CD2-CE2 4.08Å; F212-Y216 AromaticContact CE1-CD2 3.9Å; F212-Y216 HydrophobicContact CE1-CD2 3.9Å; F212-Y216 AromaticContact CE1-CE2 3.75Å; F212-Y216 HydrophobicContact CE1-CE2 3.75Å; F212-Y216 AromaticContact CE2-CE2 3.74Å; F212-Y216 HydrophobicContact CE2-CE2 3.74Å; F212-Y216 HydrophobicContact CG-CE2 4.22Å; F212-Y216 HydrophobicContact CZ-CD2 4.16Å; F212-Y216 AromaticContact CZ-CE2 3.56Å; F212-Y216 HydrophobicContact CZ-CE2 3.56Å; F212-Y216 WeakPolarHBondContact O-CD2 3.42Å; F212-Y216 VanDerWaalsContact O-CE2 3.29Å; F212-Y216 WeakPolarHBondContact O-CE2 3.24Å; T213-Y216 PolarHBondContact O-N 3.24Å; R214-Y216 VanDerWaalsContact C-N 3.31Å; Y216-G293 VanDerWaalsContact CE1-O 3.31Å; Y216-G293 WeakPolarHBondContact CE1-O 3.31Å; Y216-G293 PolarHBondContact OH-O 3.21Å; Y216-C295 HydrophobicContact CD1-CB 3.96Å; Y216-C295 HydrophobicContact CE1-CB 4.43Å; Y216-I299 HydrophobicContact CD1-CD1 3.83Å; Y216-I299 HydrophobicContact CD1-CG1 4.35Å; Y216-I299 HydrophobicContact CD1-CG2 3.87Å; Y216-I299 HydrophobicContact CD2-CD1 3.53Å; Y216-I299 HydrophobicContact CD2-CG1 4.24Å; Y216-I299 HydrophobicContact CE1-CD1 4.01Å; Y216-I299 HydrophobicContact CE2-CD1 3.72Å; Y216-I299 HydrophobicContact CG-CD1 3.59Å; Y216-I299 HydrophobicContact CG-CG1 3.97Å; Y216-I299 HydrophobicContact CG-CG2 4.19Å; Y216-Y318 HydrophobicContact CE1-CE1 4.11Å
217S88.2Confident82.2Confident24 Ų2450.4 Ų50.417%0.16825%0.249CC..  trans-92.8156.717777.10000112D219 V220 F221S217-D219 PolarHBondContact O-N 3.4Å; S217-V220 PolarHBondContact O-N 3.45Å; S217-V220 VanDerWaalsContact O-N 3.15Å; S217-V220 WeakPolarHBondContact OG-CG2 3.42Å; S217-V220 PolarHBondContact OG-N 3.06Å; S217-F221 PolarHBondContact O-N 3.09Å; S217-F221 VanDerWaalsContact O-N 3.1Å
218P91.4Very high84.6Confident67 Ų6746 Ų4644%0.43523%0.225SC..Hα-helixtrans-54.2-37.1172-25.734.3000113.5F221 E222 V300P218-F221 PolarHBondContact O-N 2.74Å; P218-E222 WeakPolarHBondContact O-CB 3.4Å; P218-E222 PolarHBondContact O-N 2.85Å; P218-V300 HydrophobicContact CB-CG1 4.19Å; P218-V300 HydrophobicContact CG-CG1 3.73Å
219D90.7Very high86.8Confident43 Ų4336.6 Ų36.623%0.2318%0.182CC..Hα-helixtrans-65.4-39.9178.7-74.325000111.9Q204 S217 A223Q204-D219 PolarHBondContact NE2-OD1 3.43Å; Q204-D219 PolarHBondContact NE2-OD2 3.26Å; S217-D219 PolarHBondContact O-N 3.4Å; D219-A223 VanDerWaalsContact O-CB 3.3Å; D219-A223 WeakPolarHBondContact O-CB 3.48Å; D219-A223 PolarHBondContact O-N 3.41Å
220V90.9Very high88.8Confident3 Ų332.2 Ų32.22%0.01816%0.163CC..Hα-helixtrans-66.6-47.7176.9174.60000109.9L200 N215 S217 E222 A223 I224 C295L200-V220 HydrophobicContact CD1-CG2 3.89Å; N215-V220 WeakPolarHBondContact O-CG1 3.44Å; S217-V220 PolarHBondContact O-N 3.45Å; S217-V220 VanDerWaalsContact O-N 3.15Å; S217-V220 WeakPolarHBondContact OG-CG2 3.42Å; S217-V220 PolarHBondContact OG-N 3.06Å; V220-E222 PolarHBondContact O-N 3.25Å; V220-A223 PolarHBondContact O-N 3.09Å; V220-I224 HydrophobicContact CG1-CD1 3.74Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CG1 3.46Å; V220-I224 PolarHBondContact O-N 3.39Å; V220-C295 HydrophobicContact CG1-CB 4.22Å
221F94.1Very high90.2Very high16 Ų1630.5 Ų30.57%0.0715%0.153CC..Hα-helixtrans-61.4-43.5177.8171.6-103.9000112.7S217 P218 A223 I224 T225 Q268 A269 D272 W297 V300S217-F221 PolarHBondContact O-N 3.09Å; S217-F221 VanDerWaalsContact O-N 3.1Å; P218-F221 PolarHBondContact O-N 2.74Å; F221-A223 PolarHBondContact O-N 3.37Å; F221-I224 PolarHBondContact O-N 3.4Å; F221-T225 WeakPolarHBondContact CZ-OG1 3.33Å; F221-T225 WeakPolarHBondContact O-CB 3.28Å; F221-T225 PolarHBondContact O-N 3.02Å; F221-T225 PolarHBondContact O-OG1 2.89Å; F221-Q268 HydrophobicContact CE2-CG 4.02Å; F221-Q268 HydrophobicContact CZ-CB 4.46Å; F221-Q268 HydrophobicContact CZ-CG 4.36Å; F221-A269 HydrophobicContact CZ-CB 4.25Å; F221-D272 VanDerWaalsContact CE2-OD2 3.24Å; F221-D272 WeakPolarHBondContact CE2-OD2 3.23Å; F221-W297 HydrophobicContact CE1-CB 4.21Å; F221-W297 HydrophobicContact CE2-CB 3.95Å; F221-W297 HydrophobicContact CZ-CB 3.71Å; F221-W297 HydrophobicContact CZ-CG 4.45Å; F221-V300 HydrophobicContact CB-CG2 3.87Å
222E95.4Very high91.7Very high91 Ų9128.8 Ų28.843%0.42514%0.137SC..Hα-helixtrans-62.3-43.5176.4-177.8173.7-164.700111.2P218 V220 T225 H226P218-E222 WeakPolarHBondContact O-CB 3.4Å; P218-E222 PolarHBondContact O-N 2.85Å; V220-E222 PolarHBondContact O-N 3.25Å; E222-T225 PolarHBondContact O-N 3.48Å; E222-H226 WeakPolarHBondContact O-CB 3.49Å; E222-H226 PolarHBondContact O-N 2.76Å; E222-H226 IonicContact OE1-CE1 2.85Å; E222-H226 PolarHBondContact OE1-CE1 3.14Å; E222-H226 IonicContact OE1-NE2 3.77Å
223A95.4Very high92.8Very high18 Ų1828.8 Ų28.815%0.14914%0.138CC..Hα-helixtrans-62.9-48.617700000111.8L187 D219 V220 F221 T225 H226 W227L187-A223 HydrophobicContact CD2-CB 3.64Å; D219-A223 VanDerWaalsContact O-CB 3.3Å; D219-A223 WeakPolarHBondContact O-CB 3.48Å; D219-A223 PolarHBondContact O-N 3.41Å; V220-A223 PolarHBondContact O-N 3.09Å; F221-A223 PolarHBondContact O-N 3.37Å; A223-T225 VanDerWaalsContact C-N 3.29Å; A223-T225 PolarHBondContact O-N 3.43Å; A223-H226 PolarHBondContact O-N 2.89Å; A223-W227 WeakPolarHBondContact O-CB 3.46Å; A223-W227 PolarHBondContact O-N 3.25Å
224I95.5Very high93.8Very high3 Ų328.8 Ų28.82%0.01514%0.137CC..Hα-helixtrans-54.9-50.7174.9-69.4164.9000109.1L187 D188 S191 V220 F221 H226 W227 K228 C295L187-I224 HydrophobicContact CB-CG1 4.32Å; L187-I224 HydrophobicContact CD2-CG1 3.83Å; L187-I224 HydrophobicContact CG-CD1 4.48Å; L187-I224 HydrophobicContact CG-CG1 3.67Å; D188-I224 HydrophobicContact CB-CG1 4.49Å; D188-I224 HydrophobicContact CB-CG2 3.98Å; S191-I224 WeakPolarHBondContact OG-CD1 3.49Å; V220-I224 HydrophobicContact CG1-CD1 3.74Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CG1 3.46Å; V220-I224 PolarHBondContact O-N 3.39Å; F221-I224 PolarHBondContact O-N 3.4Å; I224-H226 PolarHBondContact O-N 3.28Å; I224-W227 PolarHBondContact O-N 3.04Å; I224-K228 HydrophobicContact CG2-CB 4.17Å; I224-K228 HydrophobicContact CG2-CD 4.17Å; I224-K228 WeakPolarHBondContact O-CA 3.3Å; I224-K228 WeakPolarHBondContact O-CB 3.39Å; I224-K228 PolarHBondContact O-N 3.46Å; I224-C295 HydrophobicContact CD1-CB 3.84Å
225T97Very high94.7Very high0 Ų024.5 Ų24.50%012%0.121CC..Iπ-helixtrans-62.8-45.2-176-570000112.8F221 E222 A223 T229 G230 G264 N265 Q268F221-T225 WeakPolarHBondContact CZ-OG1 3.33Å; F221-T225 WeakPolarHBondContact O-CB 3.28Å; F221-T225 PolarHBondContact O-N 3.02Å; F221-T225 PolarHBondContact O-OG1 2.89Å; E222-T225 PolarHBondContact O-N 3.48Å; A223-T225 VanDerWaalsContact C-N 3.29Å; A223-T225 PolarHBondContact O-N 3.43Å; T225-T229 CarbonylContact O-C 3.59Å; T225-T229 WeakPolarHBondContact O-CA 3.42Å; T225-T229 PolarHBondContact O-N 2.92Å; T225-T229 VanDerWaalsContact O-N 3.09Å; T225-G230 PolarHBondContact O-N 3.27Å; T225-G264 VanDerWaalsContact CG2-O 3.31Å; T225-G264 WeakPolarHBondContact CG2-O 3.49Å; T225-N265 VanDerWaalsContact CG2-CA 3.47Å; T225-N265 HydrophobicContact CG2-CB 4.41Å; T225-N265 WeakPolarHBondContact CG2-OD1 3.44Å; T225-Q268 HydrophobicContact CG2-CB 3.35Å; T225-Q268 HydrophobicContact CG2-CG 4.05Å; T225-Q268 WeakPolarHBondContact OG1-CG 3.49Å
226H96.9Very high95.4Very high40 Ų4024.5 Ų24.519%0.18512%0.121CC..Iπ-helixtrans-59.8-52.6177.8-76.7179.9000111.3E222 A223 I224 G230 F231 N265E222-H226 WeakPolarHBondContact O-CB 3.49Å; E222-H226 PolarHBondContact O-N 2.76Å; E222-H226 IonicContact OE1-CE1 2.85Å; E222-H226 PolarHBondContact OE1-CE1 3.14Å; E222-H226 IonicContact OE1-NE2 3.77Å; A223-H226 PolarHBondContact O-N 2.89Å; I224-H226 PolarHBondContact O-N 3.28Å; H226-G230 PolarHBondContact O-N 3.47Å; H226-F231 WeakPolarHBondContact O-CD2 3.27Å; H226-F231 PolarHBondContact O-N 3.23Å; H226-N265 PolarHBondContact CD2-OD1 3.34Å; H226-N265 PolarHBondContact NE2-ND2 2.97Å; H226-N265 PolarHBondContact NE2-OD1 3.4Å
227W97.9Very high95.9Very high105 Ų10524.3 Ų24.340%0.39812%0.12SC..Iπ-helixtrans-80.4-44.1-170.4-59.8118.8000112.7K180 T181 A223 I224 F231K180-W227 CarbonylContact C-O 3.45Å; K180-W227 HydrophobicContact CB-CE3 3.89Å; K180-W227 HydrophobicContact CB-CZ3 4.33Å; K180-W227 HydrophobicContact CD-CE3 4.09Å; K180-W227 HydrophobicContact CD-CZ3 3.74Å; K180-W227 HydrophobicContact CG-CE3 3.7Å; K180-W227 HydrophobicContact CG-CZ3 3.63Å; T181-W227 VanDerWaalsContact CA-O 3.26Å; T181-W227 WeakPolarHBondContact CA-O 3.48Å; T181-W227 PolarHBondContact N-O 3.4Å; A223-W227 WeakPolarHBondContact O-CB 3.46Å; A223-W227 PolarHBondContact O-N 3.25Å; I224-W227 PolarHBondContact O-N 3.04Å; W227-F231 HydrophobicContact CD2-CE2 4.34Å; W227-F231 AromaticContact CE3-CD2 3.77Å; W227-F231 HydrophobicContact CE3-CD2 3.77Å; W227-F231 AromaticContact CE3-CE2 3.57Å; W227-F231 HydrophobicContact CE3-CE2 3.57Å; W227-F231 HydrophobicContact CH2-CE2 4.15Å; W227-F231 HydrophobicContact CZ3-CD2 4.04Å; W227-F231 AromaticContact CZ3-CE2 3.46Å; W227-F231 HydrophobicContact CZ3-CE2 3.46Å; W227-F231 VanDerWaalsContact CZ3-CE2 3.46Å; W227-F231 HydrophobicContact CZ3-CZ 4.19Å
228K97.3Very high96.4Very high23 Ų2323.1 Ų23.110%0.111%0.112CC..Iπ-helixtrans-71.3-44.3179.8-176-179.1169.4172.70110.7D101 D188 I224 Y232D101-K228 IonicContact OD1-NZ 2.66Å; D188-K228 HydrophobicContact CB-CD 4.01Å; D188-K228 IonicContact OD2-NZ 2.79Å; D188-K228 PolarHBondContact OD2-NZ 3.46Å; I224-K228 HydrophobicContact CG2-CB 4.17Å; I224-K228 HydrophobicContact CG2-CD 4.17Å; I224-K228 WeakPolarHBondContact O-CA 3.3Å; I224-K228 WeakPolarHBondContact O-CB 3.39Å; I224-K228 PolarHBondContact O-N 3.46Å; K228-Y232 WeakPolarHBondContact O-CD1 3.42Å; K228-Y232 WeakPolarHBondContact O-CE1 3.5Å
229T96.4Very high96.7Very high4 Ų420 Ų203%0.0259%0.092CC..Iπ-helixtrans-120-51-162-61.70000114.5T225 F231 Y232 T233 F267 Q268T225-T229 CarbonylContact O-C 3.59Å; T225-T229 WeakPolarHBondContact O-CA 3.42Å; T225-T229 PolarHBondContact O-N 2.92Å; T225-T229 VanDerWaalsContact O-N 3.09Å; T229-F231 PolarHBondContact O-N 3.3Å; T229-Y232 WeakPolarHBondContact O-CD1 3.37Å; T229-T233 WeakPolarHBondContact O-CB 3.4Å; T229-T233 PolarHBondContact O-N 3.38Å; T229-T233 PolarHBondContact O-OG1 2.8Å; T229-F267 HydrophobicContact CG2-CD1 3.68Å; T229-F267 HydrophobicContact CG2-CE1 4.07Å; T229-Q268 PolarHBondContact OG1-OE1 2.79Å
230G97.8Very high97.1Very high0 Ų017.9 Ų17.90%08%0.081CC..Iπ-helixtrans-60.5-49.1-170.400000113.4T225 H226 F234 Y235T225-G230 PolarHBondContact O-N 3.27Å; H226-G230 PolarHBondContact O-N 3.47Å; G230-F234 PolarHBondContact O-N 2.94Å; G230-F234 VanDerWaalsContact O-N 3.1Å; G230-Y235 PolarHBondContact O-N 3.46Å
231F98.5Very high97.4Very high9 Ų917.8 Ų17.84%0.0398%0.08CC..Iπ-helixtrans-62.1-51.4-177.4-85.9-63.8000113.3I177 K180 H226 W227 T229 Y235 L236 Q257 L261I177-F231 HydrophobicContact CD1-CB 3.7Å; I177-F231 HydrophobicContact CD1-CD1 3.82Å; I177-F231 HydrophobicContact CD1-CG 4.09Å; K180-F231 HydrophobicContact CD-CD1 4.25Å; K180-F231 HydrophobicContact CD-CD2 3.96Å; K180-F231 HydrophobicContact CD-CE1 4.45Å; K180-F231 HydrophobicContact CD-CE2 4.2Å; K180-F231 HydrophobicContact CD-CG 4.01Å; K180-F231 HydrophobicContact CD-CZ 4.44Å; H226-F231 WeakPolarHBondContact O-CD2 3.27Å; H226-F231 PolarHBondContact O-N 3.23Å; W227-F231 HydrophobicContact CD2-CE2 4.34Å; W227-F231 AromaticContact CE3-CD2 3.77Å; W227-F231 HydrophobicContact CE3-CD2 3.77Å; W227-F231 AromaticContact CE3-CE2 3.57Å; W227-F231 HydrophobicContact CE3-CE2 3.57Å; W227-F231 HydrophobicContact CH2-CE2 4.15Å; W227-F231 HydrophobicContact CZ3-CD2 4.04Å; W227-F231 AromaticContact CZ3-CE2 3.46Å; W227-F231 HydrophobicContact CZ3-CE2 3.46Å; W227-F231 VanDerWaalsContact CZ3-CE2 3.46Å; W227-F231 HydrophobicContact CZ3-CZ 4.19Å; T229-F231 PolarHBondContact O-N 3.3Å; F231-Y235 AromaticContact CD1-CD1 3.86Å; F231-Y235 HydrophobicContact CD1-CD1 3.86Å; F231-Y235 HydrophobicContact CD1-CG 4.33Å; F231-Y235 HydrophobicContact CE1-CD1 4.35Å; F231-Y235 WeakPolarHBondContact O-CB 3.42Å; F231-Y235 PolarHBondContact O-N 3.21Å; F231-L236 WeakPolarHBondContact O-CB 3.35Å; F231-L236 PolarHBondContact O-N 3.4Å; F231-Q257 HydrophobicContact CE1-CG 4.03Å; F231-L261 HydrophobicContact CD1-CD2 4.23Å; F231-L261 HydrophobicContact CD2-CD2 4.27Å; F231-L261 HydrophobicContact CE1-CD1 4.24Å; F231-L261 HydrophobicContact CE1-CD2 4.32Å; F231-L261 HydrophobicContact CE2-CD1 4.34Å; F231-L261 HydrophobicContact CE2-CD2 4.34Å; F231-L261 HydrophobicContact CG-CD2 4.19Å; F231-L261 HydrophobicContact CZ-CD1 3.9Å; F231-L261 HydrophobicContact CZ-CD2 4.36Å
232Y98Very high97.6Very high24 Ų2417 Ų179%0.0948%0.077CC..Iπ-helixtrans-79.5-31.2-176.592.2-88.6000113.5H94 F97 I177 T181 K228 T229H94-Y232 HydrophobicContact CB-CE2 4.48Å; H94-Y232 AromaticContact ND1-CE2 3.63Å; F97-Y232 AromaticContact CD2-CD2 3.84Å; F97-Y232 HydrophobicContact CD2-CD2 3.84Å; F97-Y232 HydrophobicContact CD2-CE2 4.12Å; F97-Y232 HydrophobicContact CD2-CG 4.11Å; F97-Y232 HydrophobicContact CE2-CD2 4.08Å; F97-Y232 HydrophobicContact CE2-CG 4.06Å; I177-Y232 VanDerWaalsContact CG2-CA 3.5Å; I177-Y232 VanDerWaalsContact CG2-CB 3.49Å; T181-Y232 HydrophobicContact CG2-CD1 4.06Å; T181-Y232 WeakPolarHBondContact OG1-CB 3.28Å; K228-Y232 WeakPolarHBondContact O-CD1 3.42Å; K228-Y232 WeakPolarHBondContact O-CE1 3.5Å; T229-Y232 WeakPolarHBondContact O-CD1 3.37Å
233T98Very high97.7Very high7 Ų713.1 Ų13.14%0.0436%0.059CC..Iπ-helixtrans-80.1-42.8-175.5-65.80000112.3R58 T229 P237 F267R58-T233 PolarHBondContact NE-OG1 3.41Å; R58-T233 PolarHBondContact NH2-OG1 2.82Å; T229-T233 WeakPolarHBondContact O-CB 3.4Å; T229-T233 PolarHBondContact O-N 3.38Å; T229-T233 PolarHBondContact O-OG1 2.8Å; T233-P237 WeakPolarHBondContact O-CG 3.43Å; T233-F267 HydrophobicContact CG2-CE1 4.36Å
234F98.2Very high97.7Very high9 Ų912.3 Ų12.34%0.0395%0.052CC..Iπ-helixtrans-109.8-52.4-172-66.6-82.8000111.9G230 P237 L260 L263 G264 F267 L381G230-F234 PolarHBondContact O-N 2.94Å; G230-F234 VanDerWaalsContact O-N 3.1Å; F234-P237 WeakPolarHBondContact O-CD 3.46Å; F234-P237 WeakPolarHBondContact O-CG 3.45Å; F234-L260 HydrophobicContact CB-CB 3.94Å; F234-L260 HydrophobicContact CB-CD2 4.34Å; F234-L263 HydrophobicContact CD1-CB 4.06Å; F234-L263 HydrophobicContact CE1-CB 4.2Å; F234-L263 HydrophobicContact CG-CB 4.41Å; F234-G264 VanDerWaalsContact CD2-CA 3.48Å; F234-F267 HydrophobicContact CE2-CB 3.46Å; F234-F267 VanDerWaalsContact CE2-CB 3.46Å; F234-F267 AromaticContact CE2-CD1 3.88Å; F234-F267 HydrophobicContact CE2-CD1 3.88Å; F234-F267 HydrophobicContact CE2-CD2 4.3Å; F234-F267 AromaticContact CE2-CG 3.61Å; F234-F267 HydrophobicContact CE2-CG 3.61Å; F234-F267 HydrophobicContact CZ-CB 3.49Å; F234-F267 VanDerWaalsContact CZ-CB 3.49Å; F234-F267 HydrophobicContact CZ-CD1 4.25Å; F234-F267 AromaticContact CZ-CD2 3.83Å; F234-F267 HydrophobicContact CZ-CD2 3.83Å; F234-F267 AromaticContact CZ-CG 3.58Å; F234-F267 HydrophobicContact CZ-CG 3.58Å; F234-L381 HydrophobicContact CE1-CD1 3.71Å; F234-L381 HydrophobicContact CE1-CD2 4.25Å; F234-L381 HydrophobicContact CE1-CG 4.39Å; F234-L381 HydrophobicContact CZ-CD1 3.83Å; F234-L381 HydrophobicContact CZ-CD2 4.12Å
235Y98.7Very high97.7Very high23 Ų2312.6 Ų12.69%0.096%0.055CC..Iπ-helixtrans-69.4-49.7-173.8177.9-108.9000113L173 I177 G230 F231 V238 A239 Q257 L260L173-Y235 HydrophobicContact CD1-CE1 3.97Å; I177-Y235 HydrophobicContact CD1-CD1 3.89Å; I177-Y235 HydrophobicContact CD1-CE1 4.4Å; G230-Y235 PolarHBondContact O-N 3.46Å; F231-Y235 AromaticContact CD1-CD1 3.86Å; F231-Y235 HydrophobicContact CD1-CD1 3.86Å; F231-Y235 HydrophobicContact CD1-CG 4.33Å; F231-Y235 HydrophobicContact CE1-CD1 4.35Å; F231-Y235 WeakPolarHBondContact O-CB 3.42Å; F231-Y235 PolarHBondContact O-N 3.21Å; Y235-V238 PolarHBondContact O-N 3.26Å; Y235-A239 HydrophobicContact CD1-CB 4.37Å; Y235-A239 HydrophobicContact CD2-CB 4.37Å; Y235-A239 HydrophobicContact CE1-CB 4.02Å; Y235-A239 HydrophobicContact CE2-CB 4.02Å; Y235-A239 VanDerWaalsContact O-CB 3.24Å; Y235-A239 WeakPolarHBondContact O-CB 3.46Å; Y235-A239 PolarHBondContact O-N 3.1Å; Y235-Q257 HydrophobicContact CD2-CB 3.71Å; Y235-Q257 HydrophobicContact CD2-CG 3.84Å; Y235-Q257 HydrophobicContact CE2-CB 3.6Å; Y235-Q257 HydrophobicContact CE2-CG 3.99Å; Y235-Q257 HydrophobicContact CG-CG 4.18Å; Y235-L260 HydrophobicContact CD2-CD1 4.29Å
236L98.8Very high97.6Very high1 Ų114.9 Ų14.91%0.0057%0.065CC..Hα-helixtrans-48.7-57.1-179.9171.367.8000113.2V90 L93 L173 F174 I177 F231 V238 A239 C240V90-L236 HydrophobicContact CG1-CD2 4.17Å; V90-L236 HydrophobicContact CG2-CD2 4.3Å; V90-L236 HydrophobicContact CG2-CG 4.28Å; L93-L236 HydrophobicContact CD2-CD2 3.52Å; L173-L236 HydrophobicContact CD2-CD1 3.87Å; L173-L236 HydrophobicContact CG-CD1 3.75Å; F174-L236 HydrophobicContact CD2-CD1 4.09Å; F174-L236 HydrophobicContact CE2-CD1 4.12Å; I177-L236 HydrophobicContact CB-CD1 4.43Å; I177-L236 HydrophobicContact CG1-CB 4.28Å; I177-L236 HydrophobicContact CG1-CD1 4.18Å; I177-L236 HydrophobicContact CG2-CB 4.12Å; I177-L236 HydrophobicContact CG2-CD2 4.11Å; I177-L236 HydrophobicContact CG2-CG 4.49Å; F231-L236 WeakPolarHBondContact O-CB 3.35Å; F231-L236 PolarHBondContact O-N 3.4Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 PolarHBondContact O-N 3.16Å; L236-A239 PolarHBondContact O-N 2.99Å; L236-C240 PolarHBondContact O-N 3.28Å; L236-C240 PolarHBondContact O-SG 3.45Å
237P98.8Very high97.5Very high0 Ų013.3 Ų13.30%06%0.059CC..Hα-helixtrans-62.9-39-176.522.2-33.5000112.9R58 L61 V62 V90 T233 F234 G241R58-P237 HydrophobicContact CB-CG 4.44Å; R58-P237 WeakPolarHBondContact O-CB 3.49Å; L61-P237 HydrophobicContact CB-CB 4.07Å; L61-P237 HydrophobicContact CB-CG 4.47Å; L61-P237 HydrophobicContact CD2-CB 4.24Å; L61-P237 HydrophobicContact CD2-CG 3.82Å; L61-P237 HydrophobicContact CG-CB 4.12Å; L61-P237 HydrophobicContact CG-CG 4.25Å; V62-P237 WeakPolarHBondContact CA-O 3.46Å; V62-P237 HydrophobicContact CG2-CB 3.75Å; V90-P237 HydrophobicContact CG1-CB 4.36Å; T233-P237 WeakPolarHBondContact O-CG 3.43Å; F234-P237 WeakPolarHBondContact O-CD 3.46Å; F234-P237 WeakPolarHBondContact O-CG 3.45Å; P237-G241 PolarHBondContact O-N 2.79Å
238V98.6Very high97Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-68.8-43.9177.9-178.60000110.7L61 S65 F69 Y235 L236 C240 G241 M242 V256 L260 F374L61-V238 HydrophobicContact CD1-CG2 3.93Å; L61-V238 HydrophobicContact CD2-CG2 3.77Å; L61-V238 HydrophobicContact CG-CG2 3.73Å; S65-V238 WeakPolarHBondContact OG-CG1 3.04Å; S65-V238 PolarHBondContact OG-O 3.45Å; F69-V238 HydrophobicContact CE2-CG1 4.1Å; Y235-V238 PolarHBondContact O-N 3.26Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 PolarHBondContact O-N 3.16Å; V238-C240 VanDerWaalsContact C-N 3.34Å; V238-C240 PolarHBondContact O-N 3.34Å; V238-G241 PolarHBondContact O-N 3.02Å; V238-G241 VanDerWaalsContact O-N 3.11Å; V238-M242 HydrophobicContact CG1-CG 4.46Å; V238-M242 HydrophobicContact CG1-SD 4.15Å; V238-M242 WeakPolarHBondContact O-CG 3.26Å; V238-M242 PolarHBondContact O-N 3.36Å; V238-V256 HydrophobicContact CG1-CG1 3.72Å; V238-L260 HydrophobicContact CB-CD1 3.52Å; V238-L260 HydrophobicContact CG1-CD1 3.9Å; V238-L260 HydrophobicContact CG2-CD1 3.61Å; V238-L260 HydrophobicContact CG2-CD2 4.08Å; V238-F374 HydrophobicContact CG1-CE1 4.46Å
239A98.7Very high96.6Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-63.2-37.6177.900000112.2L173 Y235 L236 G241 M242 I243 F253L173-A239 HydrophobicContact CD1-CB 4.16Å; L173-A239 HydrophobicContact CD2-CB 3.62Å; Y235-A239 HydrophobicContact CD1-CB 4.37Å; Y235-A239 HydrophobicContact CD2-CB 4.37Å; Y235-A239 HydrophobicContact CE1-CB 4.02Å; Y235-A239 HydrophobicContact CE2-CB 4.02Å; Y235-A239 VanDerWaalsContact O-CB 3.24Å; Y235-A239 WeakPolarHBondContact O-CB 3.46Å; Y235-A239 PolarHBondContact O-N 3.1Å; L236-A239 PolarHBondContact O-N 2.99Å; A239-G241 PolarHBondContact O-N 3.46Å; A239-M242 PolarHBondContact O-N 2.89Å; A239-I243 WeakPolarHBondContact O-CB 3.46Å; A239-I243 WeakPolarHBondContact O-CD1 3.46Å; A239-I243 VanDerWaalsContact O-CG1 3.26Å; A239-I243 WeakPolarHBondContact O-CG1 3.47Å; A239-I243 PolarHBondContact O-N 2.97Å; A239-F253 HydrophobicContact CB-CD1 4.44Å; A239-F253 HydrophobicContact CB-CE1 4.22Å
240C98.7Very high96.5Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-56.5-49.3170.2-73.20000111.2V62 I86 L170 L236 V238 M242 I243 L244V62-C240 HydrophobicContact CG1-CB 3.96Å; V62-C240 HydrophobicContact CG2-CB 4.08Å; I86-C240 HydrophobicContact CG2-CB 4.19Å; L170-C240 HydrophobicContact CD2-CB 4.21Å; L236-C240 PolarHBondContact O-N 3.28Å; L236-C240 PolarHBondContact O-SG 3.45Å; V238-C240 VanDerWaalsContact C-N 3.34Å; V238-C240 PolarHBondContact O-N 3.34Å; C240-M242 PolarHBondContact O-N 3.02Å; C240-I243 PolarHBondContact O-N 3.06Å; C240-L244 WeakPolarHBondContact O-CB 3.24Å; C240-L244 WeakPolarHBondContact O-CD1 3.46Å; C240-L244 VanDerWaalsContact O-CG 3.22Å; C240-L244 WeakPolarHBondContact O-CG 3Å; C240-L244 PolarHBondContact O-N 2.89Å
241G97.8Very high96.3Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-60.5-42.1177.400000113.2Y66 P237 V238 A239 L244 A245Y66-G241 WeakPolarHBondContact CA-O 3.38Å; P237-G241 PolarHBondContact O-N 2.79Å; V238-G241 PolarHBondContact O-N 3.02Å; V238-G241 VanDerWaalsContact O-N 3.11Å; A239-G241 PolarHBondContact O-N 3.46Å; G241-L244 PolarHBondContact O-N 3.41Å; G241-A245 VanDerWaalsContact O-CB 3.29Å; G241-A245 WeakPolarHBondContact O-CB 3.49Å; G241-A245 PolarHBondContact O-N 3.09Å
242M97.7Very high96.2Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-63.6-43175.8-68.8172.468.900112.5F69 V238 A239 C240 A245 E246 V247 I252 F253 V256F69-M242 HydrophobicContact CB-CG 4.33Å; F69-M242 HydrophobicContact CD1-CG 4.09Å; F69-M242 HydrophobicContact CD2-CG 3.46Å; F69-M242 VanDerWaalsContact CD2-CG 3.46Å; F69-M242 HydrophobicContact CD2-SD 4.48Å; F69-M242 HydrophobicContact CE1-CE 4.29Å; F69-M242 HydrophobicContact CE1-CG 4.26Å; F69-M242 HydrophobicContact CE1-SD 4.42Å; F69-M242 HydrophobicContact CE2-CG 3.66Å; F69-M242 HydrophobicContact CE2-SD 4.09Å; F69-M242 HydrophobicContact CG-CG 3.7Å; F69-M242 HydrophobicContact CZ-CE 4.46Å; F69-M242 HydrophobicContact CZ-CG 4.05Å; F69-M242 HydrophobicContact CZ-SD 4.06Å; V238-M242 HydrophobicContact CG1-CG 4.46Å; V238-M242 HydrophobicContact CG1-SD 4.15Å; V238-M242 WeakPolarHBondContact O-CG 3.26Å; V238-M242 PolarHBondContact O-N 3.36Å; A239-M242 PolarHBondContact O-N 2.89Å; C240-M242 PolarHBondContact O-N 3.02Å; M242-A245 CarbonylContact O-C 3.52Å; M242-A245 PolarHBondContact O-N 2.9Å; M242-E246 PolarHBondContact O-N 3.26Å; M242-V247 HydrophobicContact CB-CB 4.22Å; M242-V247 HydrophobicContact CB-CG2 4.09Å; M242-V247 HydrophobicContact CE-CG1 4.05Å; M242-V247 HydrophobicContact CG-CG2 4.5Å; M242-V247 WeakPolarHBondContact O-CB 3.5Å; M242-V247 WeakPolarHBondContact O-CG2 3.05Å; M242-V247 PolarHBondContact O-N 2.83Å; M242-I252 HydrophobicContact CE-CB 4.4Å; M242-I252 HydrophobicContact CE-CG2 3.69Å; M242-F253 HydrophobicContact CB-CE1 3.75Å; M242-F253 HydrophobicContact CB-CE2 4.41Å; M242-F253 HydrophobicContact CB-CZ 3.6Å; M242-F253 HydrophobicContact CE-CB 4.44Å; M242-F253 HydrophobicContact CE-CD1 3.83Å; M242-F253 HydrophobicContact CE-CD2 3.76Å; M242-F253 HydrophobicContact CE-CE1 3.94Å; M242-F253 HydrophobicContact CE-CE2 3.86Å; M242-F253 HydrophobicContact CE-CG 3.74Å; M242-F253 HydrophobicContact CE-CZ 3.95Å; M242-F253 HydrophobicContact SD-CD1 4.17Å; M242-F253 HydrophobicContact SD-CE1 4.14Å; M242-V256 HydrophobicContact CE-CG2 4.15Å; M242-V256 HydrophobicContact SD-CB 4.16Å; M242-V256 HydrophobicContact SD-CG1 3.92Å; M242-V256 HydrophobicContact SD-CG2 4.04Å
243I97.5Very high96.2Very high10 Ų1025.2 Ų25.25%0.05113%0.134CC..Hα-helixtrans-64.7-45176.7-69.8162.4000110.5V166 K169 L170 L173 A239 C240 A245 E246 F253V166-I243 HydrophobicContact CG1-CG2 4.22Å; K169-I243 HydrophobicContact CB-CD1 3.98Å; K169-I243 HydrophobicContact CB-CG1 4.13Å; K169-I243 HydrophobicContact CB-CG2 3.65Å; K169-I243 HydrophobicContact CD-CG1 4.43Å; K169-I243 HydrophobicContact CD-CG2 4.36Å; L170-I243 HydrophobicContact CD2-CB 4.29Å; L170-I243 HydrophobicContact CD2-CD1 4.44Å; L170-I243 HydrophobicContact CD2-CG2 4.06Å; L170-I243 HydrophobicContact CG-CG2 3.87Å; L173-I243 HydrophobicContact CB-CD1 4.19Å; L173-I243 HydrophobicContact CD2-CD1 3.64Å; L173-I243 HydrophobicContact CG-CD1 4.49Å; A239-I243 WeakPolarHBondContact O-CB 3.46Å; A239-I243 WeakPolarHBondContact O-CD1 3.46Å; A239-I243 VanDerWaalsContact O-CG1 3.26Å; A239-I243 WeakPolarHBondContact O-CG1 3.47Å; A239-I243 PolarHBondContact O-N 2.97Å; C240-I243 PolarHBondContact O-N 3.06Å; I243-A245 PolarHBondContact O-N 2.93Å; I243-E246 WeakPolarHBondContact O-CA 3.47Å; I243-E246 PolarHBondContact O-N 3.13Å; I243-F253 HydrophobicContact CG1-CE1 4.04Å; I243-F253 HydrophobicContact CG1-CZ 3.92Å
244L96Very high96.2Very high1 Ų130.8 Ų30.81%0.00516%0.157CC..Hα-helixtrans-64.4-26.5177.4-71.4162.5000112.3V62 Y66 V83 I86 F148 W160 V166 L170 C240 G241 E246V62-L244 HydrophobicContact CG1-CD1 4Å; Y66-L244 HydrophobicContact CD2-CB 3.71Å; Y66-L244 HydrophobicContact CE2-CB 4.29Å; Y66-L244 VanDerWaalsContact CE2-O 3.3Å; Y66-L244 WeakPolarHBondContact CE2-O 3.03Å; V83-L244 HydrophobicContact CB-CD1 4.38Å; V83-L244 HydrophobicContact CG1-CD1 4.19Å; V83-L244 HydrophobicContact CG2-CB 4.36Å; V83-L244 HydrophobicContact CG2-CD1 4.09Å; I86-L244 HydrophobicContact CB-CD1 4.11Å; I86-L244 HydrophobicContact CG1-CD1 4.3Å; I86-L244 HydrophobicContact CG1-CD2 4.42Å; I86-L244 HydrophobicContact CG2-CD1 4.02Å; F148-L244 HydrophobicContact CZ-CD2 4.35Å; W160-L244 HydrophobicContact CH2-CD2 4.37Å; W160-L244 HydrophobicContact CZ2-CD2 3.62Å; W160-L244 PolarHBondContact NE1-O 3.43Å; V166-L244 HydrophobicContact CG1-CD2 4.17Å; L170-L244 HydrophobicContact CD1-CD2 3.9Å; L170-L244 HydrophobicContact CD1-CG 4.35Å; L170-L244 HydrophobicContact CD2-CG 4.5Å; C240-L244 WeakPolarHBondContact O-CB 3.24Å; C240-L244 WeakPolarHBondContact O-CD1 3.46Å; C240-L244 VanDerWaalsContact O-CG 3.22Å; C240-L244 WeakPolarHBondContact O-CG 3Å; C240-L244 PolarHBondContact O-N 2.89Å; G241-L244 PolarHBondContact O-N 3.41Å; L244-E246 VanDerWaalsContact C-N 3.27Å
245A94.7Very high96.1Very high9 Ų932.8 Ų32.87%0.07417%0.172CC..THydrogen-bonded Turntrans-85.66.4172.800000113.4Y66 F69 G241 M242 I243 V247Y66-A245 HydrophobicContact CD2-CB 3.96Å; Y66-A245 HydrophobicContact CE2-CB 4.33Å; F69-A245 HydrophobicContact CB-CB 3.95Å; G241-A245 VanDerWaalsContact O-CB 3.29Å; G241-A245 WeakPolarHBondContact O-CB 3.49Å; G241-A245 PolarHBondContact O-N 3.09Å; M242-A245 CarbonylContact O-C 3.52Å; M242-A245 PolarHBondContact O-N 2.9Å; I243-A245 PolarHBondContact O-N 2.93Å; A245-V247 HydrophobicContact CB-CG2 4.37Å; A245-V247 PolarHBondContact O-N 2.89Å
246E94.1Very high96.1Very high47 Ų4731.7 Ų31.722%0.2217%0.168CC..THydrogen-bonded Turntrans55.533.7-179.1-61.5-175.493.900113.8W160 K161 D162 V166 M242 I243 L244 D248W160-E246 WeakPolarHBondContact CA-OE2 3.33Å; K161-E246 WeakPolarHBondContact CB-OE1 3.47Å; K161-E246 PolarHBondContact N-OE1 3.28Å; K161-E246 PolarHBondContact N-OE2 2.64Å; D162-E246 PolarHBondContact N-OE1 2.89Å; V166-E246 HydrophobicContact CG2-CG 3.76Å; M242-E246 PolarHBondContact O-N 3.26Å; I243-E246 WeakPolarHBondContact O-CA 3.47Å; I243-E246 PolarHBondContact O-N 3.13Å; L244-E246 VanDerWaalsContact C-N 3.27Å; E246-D248 PolarHBondContact O-N 3.37Å
247V94.7Very high96.1Very high8 Ų834.3 Ų34.35%0.04818%0.18CC..  trans-62.7123.8169.8-178.60000108.8F69 M242 A245 F253 F366F69-V247 HydrophobicContact CB-CG2 3.82Å; F69-V247 HydrophobicContact CD1-CG2 4.14Å; F69-V247 HydrophobicContact CG-CG2 4.28Å; M242-V247 HydrophobicContact CB-CB 4.22Å; M242-V247 HydrophobicContact CB-CG2 4.09Å; M242-V247 HydrophobicContact CE-CG1 4.05Å; M242-V247 HydrophobicContact CG-CG2 4.5Å; M242-V247 WeakPolarHBondContact O-CB 3.5Å; M242-V247 WeakPolarHBondContact O-CG2 3.05Å; M242-V247 PolarHBondContact O-N 2.83Å; A245-V247 HydrophobicContact CB-CG2 4.37Å; A245-V247 PolarHBondContact O-N 2.89Å; V247-F253 HydrophobicContact CB-CE2 3.99Å; V247-F253 HydrophobicContact CB-CZ 4.37Å; V247-F253 HydrophobicContact CG1-CD2 4.38Å; V247-F253 HydrophobicContact CG1-CE2 3.83Å; V247-F253 WeakPolarHBondContact O-CE2 3.48Å; V247-F366 HydrophobicContact CG2-CE1 4.07Å; V247-F366 HydrophobicContact CG2-CZ 4.39Å
248D87.3Confident96Very high123 Ų12339.4 Ų39.466%0.65820%0.204SC*.  trans-113.1-3.5-172.163.3-2.7000113.8E246E246-D248 PolarHBondContact O-N 3.37Å
249T90.3Very high96Very high49 Ų4939.5 Ų39.530%0.30120%0.204SC..  trans-93.5106-178.3-52.70000111.6D251 I252T249-D251 HydrophobicContact CG2-CB 4.41Å; T249-D251 PolarHBondContact O-N 3.21Å; T249-I252 HydrophobicContact CG2-CD1 4.22Å; T249-I252 HydrophobicContact CG2-CG1 3.88Å; T249-I252 WeakPolarHBondContact O-CB 3.4Å; T249-I252 PolarHBondContact O-N 3.17Å; T249-I252 VanDerWaalsContact O-N 3.07Å
250D93.1Very high96Very high112 Ų11239.5 Ų39.560%0.59920%0.204SC*.Hα-helixtrans-56.1-34.1-179.7-75.3-14000113.8I252 F253 K254D250-I252 VanDerWaalsContact C-N 3.28Å; D250-I252 PolarHBondContact O-N 3.42Å; D250-F253 WeakPolarHBondContact O-CB 3.3Å; D250-F253 PolarHBondContact O-N 3.19Å; D250-F253 VanDerWaalsContact O-N 3.17Å; D250-K254 WeakPolarHBondContact O-CG 3.45Å; D250-K254 PolarHBondContact O-N 3.26Å
251D95.1Very high96Very high98 Ų9840.3 Ų40.352%0.52421%0.209SC..Hα-helixtrans-68.7-27.2-179.5-69.9-22.4000112.9T249 K254 S255T249-D251 HydrophobicContact CG2-CB 4.41Å; T249-D251 PolarHBondContact O-N 3.21Å; D251-K254 IonicContact OD1-NZ 2.75Å; D251-K254 PolarHBondContact OD1-NZ 2.8Å; D251-S255 WeakPolarHBondContact O-CB 3.39Å; D251-S255 PolarHBondContact O-N 3.45Å; D251-S255 PolarHBondContact O-OG 3.37Å
252I96.2Very high96Very high10 Ų1043.2 Ų43.25%0.05122%0.221CC..Hα-helixtrans-67.9-46171.5-59.9-177.9000108.8F69 M242 T249 D250 K254 S255 V256 F360 F366F69-I252 HydrophobicContact CE1-CG2 4.12Å; M242-I252 HydrophobicContact CE-CB 4.4Å; M242-I252 HydrophobicContact CE-CG2 3.69Å; T249-I252 HydrophobicContact CG2-CD1 4.22Å; T249-I252 HydrophobicContact CG2-CG1 3.88Å; T249-I252 WeakPolarHBondContact O-CB 3.4Å; T249-I252 PolarHBondContact O-N 3.17Å; T249-I252 VanDerWaalsContact O-N 3.07Å; D250-I252 VanDerWaalsContact C-N 3.28Å; D250-I252 PolarHBondContact O-N 3.42Å; I252-K254 VanDerWaalsContact C-N 3.32Å; I252-K254 PolarHBondContact O-N 2.75Å; I252-S255 PolarHBondContact O-N 3.33Å; I252-V256 HydrophobicContact CG2-CG2 4.16Å; I252-V256 WeakPolarHBondContact O-CB 3.16Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 3.24Å; I252-F360 HydrophobicContact CG2-CZ 4.12Å; I252-F366 HydrophobicContact CD1-CE2 4.08Å; I252-F366 HydrophobicContact CD1-CZ 3.73Å
253F97.5Very high95.9Very high22 Ų2243.2 Ų43.210%0.09622%0.221CC..Hα-helixtrans-57.3-43175.7-80.2-92000112.5A239 M242 I243 V247 D250 Q257A239-F253 HydrophobicContact CB-CD1 4.44Å; A239-F253 HydrophobicContact CB-CE1 4.22Å; M242-F253 HydrophobicContact CB-CE1 3.75Å; M242-F253 HydrophobicContact CB-CE2 4.41Å; M242-F253 HydrophobicContact CB-CZ 3.6Å; M242-F253 HydrophobicContact CE-CB 4.44Å; M242-F253 HydrophobicContact CE-CD1 3.83Å; M242-F253 HydrophobicContact CE-CD2 3.76Å; M242-F253 HydrophobicContact CE-CE1 3.94Å; M242-F253 HydrophobicContact CE-CE2 3.86Å; M242-F253 HydrophobicContact CE-CG 3.74Å; M242-F253 HydrophobicContact CE-CZ 3.95Å; M242-F253 HydrophobicContact SD-CD1 4.17Å; M242-F253 HydrophobicContact SD-CE1 4.14Å; I243-F253 HydrophobicContact CG1-CE1 4.04Å; I243-F253 HydrophobicContact CG1-CZ 3.92Å; V247-F253 HydrophobicContact CB-CE2 3.99Å; V247-F253 HydrophobicContact CB-CZ 4.37Å; V247-F253 HydrophobicContact CG1-CD2 4.38Å; V247-F253 HydrophobicContact CG1-CE2 3.83Å; V247-F253 WeakPolarHBondContact O-CE2 3.48Å; D250-F253 WeakPolarHBondContact O-CB 3.3Å; D250-F253 PolarHBondContact O-N 3.19Å; D250-F253 VanDerWaalsContact O-N 3.17Å; F253-Q257 VanDerWaalsContact O-CB 3.29Å; F253-Q257 WeakPolarHBondContact O-CB 3.43Å; F253-Q257 PolarHBondContact O-N 3.43Å
254K97.3Very high95.9Very high125 Ų12542.7 Ų42.754%0.54322%0.219SC..Hα-helixtrans-63-44.6177-66.9172.7-162.7154.20112.1D250 D251 I252 Q257 H258D250-K254 WeakPolarHBondContact O-CG 3.45Å; D250-K254 PolarHBondContact O-N 3.26Å; D251-K254 IonicContact OD1-NZ 2.75Å; D251-K254 PolarHBondContact OD1-NZ 2.8Å; I252-K254 VanDerWaalsContact C-N 3.32Å; I252-K254 PolarHBondContact O-N 2.75Å; K254-Q257 PolarHBondContact O-N 3.19Å; K254-H258 PolarHBondContact O-N 3.03Å
255S97.2Very high95.9Very high50 Ų5044 Ų4435%0.3523%0.226SC..Hα-helixtrans-66.7-41.5-179.5-59.20000111.6D251 I252 H258 I259D251-S255 WeakPolarHBondContact O-CB 3.39Å; D251-S255 PolarHBondContact O-N 3.45Å; D251-S255 PolarHBondContact O-OG 3.37Å; I252-S255 PolarHBondContact O-N 3.33Å; S255-H258 PolarHBondContact O-N 3.42Å; S255-I259 PolarHBondContact O-N 3.22Å
256V98.3Very high96Very high0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-63.9-45.3173.51720000111F69 V238 M242 I252 H258 I259 L260 F360 F374F69-V256 HydrophobicContact CZ-CG2 3.96Å; V238-V256 HydrophobicContact CG1-CG1 3.72Å; M242-V256 HydrophobicContact CE-CG2 4.15Å; M242-V256 HydrophobicContact SD-CB 4.16Å; M242-V256 HydrophobicContact SD-CG1 3.92Å; M242-V256 HydrophobicContact SD-CG2 4.04Å; I252-V256 HydrophobicContact CG2-CG2 4.16Å; I252-V256 WeakPolarHBondContact O-CB 3.16Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 3.24Å; V256-H258 VanDerWaalsContact C-N 3.31Å; V256-H258 PolarHBondContact O-N 2.75Å; V256-I259 PolarHBondContact O-N 3.46Å; V256-L260 HydrophobicContact CG1-CD1 3.45Å; V256-L260 VanDerWaalsContact CG1-CD1 3.45Å; V256-L260 HydrophobicContact CG1-CG 4.11Å; V256-L260 WeakPolarHBondContact O-CB 3.36Å; V256-L260 VanDerWaalsContact O-CG 3.27Å; V256-L260 WeakPolarHBondContact O-CG 3.41Å; V256-L260 PolarHBondContact O-N 3.37Å; V256-F360 HydrophobicContact CG2-CE2 3.68Å; V256-F360 HydrophobicContact CG2-CZ 3.78Å; V256-F374 HydrophobicContact CB-CZ 4.37Å; V256-F374 HydrophobicContact CG1-CE1 4.17Å; V256-F374 HydrophobicContact CG1-CZ 4.02Å; V256-F374 HydrophobicContact CG2-CE2 4.43Å; V256-F374 HydrophobicContact CG2-CZ 3.78Å
257Q98.2Very high96.1Very high57 Ų5742.6 Ų42.627%0.26622%0.217SC..Hα-helixtrans-56.7-44.4175.5-170.9-172.4-67.800111.6F231 Y235 F253 K254 I259 L260 L261F231-Q257 HydrophobicContact CE1-CG 4.03Å; Y235-Q257 HydrophobicContact CD2-CB 3.71Å; Y235-Q257 HydrophobicContact CD2-CG 3.84Å; Y235-Q257 HydrophobicContact CE2-CB 3.6Å; Y235-Q257 HydrophobicContact CE2-CG 3.99Å; Y235-Q257 HydrophobicContact CG-CG 4.18Å; F253-Q257 VanDerWaalsContact O-CB 3.29Å; F253-Q257 WeakPolarHBondContact O-CB 3.43Å; F253-Q257 PolarHBondContact O-N 3.43Å; K254-Q257 PolarHBondContact O-N 3.19Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 3.01Å; Q257-L260 PolarHBondContact O-N 3.38Å; Q257-L261 HydrophobicContact CG-CD1 3.83Å; Q257-L261 HydrophobicContact CG-CG 4.07Å; Q257-L261 WeakPolarHBondContact O-CB 3.18Å; Q257-L261 VanDerWaalsContact O-CG 3.31Å; Q257-L261 WeakPolarHBondContact O-CG 3.46Å; Q257-L261 PolarHBondContact O-N 3.47Å
258H97.9Very high96.2Very high106 Ų10642.8 Ų42.849%0.49122%0.218SC..Hα-helixtrans-58.3-44.1179.5-178.365000112.6K254 S255 V256 K262K254-H258 PolarHBondContact O-N 3.03Å; S255-H258 PolarHBondContact O-N 3.42Å; V256-H258 VanDerWaalsContact C-N 3.31Å; V256-H258 PolarHBondContact O-N 2.75Å; H258-K262 PolarHBondContact O-N 3.31Å
259I98.4Very high96.7Very high3 Ų337 Ų372%0.01519%0.186CC..Hα-helixtrans-65.8-48.3177-67.1164.8000110.7S255 V256 Q257 L261 K262 L263 T356 I357 F360 F374S255-I259 PolarHBondContact O-N 3.22Å; V256-I259 PolarHBondContact O-N 3.46Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 3.01Å; I259-L261 PolarHBondContact O-N 3.49Å; I259-K262 WeakPolarHBondContact O-CB 3.33Å; I259-K262 PolarHBondContact O-N 2.93Å; I259-L263 HydrophobicContact CG2-CD1 4.35Å; I259-L263 PolarHBondContact O-N 3.15Å; I259-L263 VanDerWaalsContact O-N 3.17Å; I259-T356 HydrophobicContact CG1-CG2 3.83Å; I259-I357 HydrophobicContact CG2-CD1 4.44Å; I259-I357 HydrophobicContact CG2-CG1 3.8Å; I259-F360 HydrophobicContact CD1-CB 3.89Å; I259-F360 HydrophobicContact CD1-CD2 3.68Å; I259-F360 HydrophobicContact CD1-CG 4Å; I259-F374 HydrophobicContact CD1-CD2 3.91Å; I259-F374 HydrophobicContact CD1-CE2 3.99Å; I259-F374 HydrophobicContact CG2-CB 4.18Å; I259-F374 HydrophobicContact CG2-CD1 4.39Å; I259-F374 HydrophobicContact CG2-CD2 4.32Å; I259-F374 HydrophobicContact CG2-CG 4.04Å
260L98.4Very high96.9Very high0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-69.1-31.9-174.3-67.4176.5000113F234 Y235 V238 V256 Q257 L263 G264 F374 L377F234-L260 HydrophobicContact CB-CB 3.94Å; F234-L260 HydrophobicContact CB-CD2 4.34Å; Y235-L260 HydrophobicContact CD2-CD1 4.29Å; V238-L260 HydrophobicContact CB-CD1 3.52Å; V238-L260 HydrophobicContact CG1-CD1 3.9Å; V238-L260 HydrophobicContact CG2-CD1 3.61Å; V238-L260 HydrophobicContact CG2-CD2 4.08Å; V256-L260 HydrophobicContact CG1-CD1 3.45Å; V256-L260 VanDerWaalsContact CG1-CD1 3.45Å; V256-L260 HydrophobicContact CG1-CG 4.11Å; V256-L260 WeakPolarHBondContact O-CB 3.36Å; V256-L260 VanDerWaalsContact O-CG 3.27Å; V256-L260 WeakPolarHBondContact O-CG 3.41Å; V256-L260 PolarHBondContact O-N 3.37Å; Q257-L260 PolarHBondContact O-N 3.38Å; L260-L263 HydrophobicContact CD2-CD1 4.01Å; L260-L263 WeakPolarHBondContact O-CB 3.13Å; L260-L263 PolarHBondContact O-N 2.88Å; L260-G264 PolarHBondContact O-N 3.08Å; L260-F374 HydrophobicContact CD2-CD1 4.22Å; L260-F374 HydrophobicContact CD2-CE1 4.31Å; L260-L377 HydrophobicContact CD2-CD1 3.83Å
261L98.1Very high97Very high17 Ų1732 Ų329%0.08916%0.158CC..Hα-helixtrans-70.9-31.1173.7-68.6-178.9000112.3F231 Q257 I259 G264 N265F231-L261 HydrophobicContact CD1-CD2 4.23Å; F231-L261 HydrophobicContact CD2-CD2 4.27Å; F231-L261 HydrophobicContact CE1-CD1 4.24Å; F231-L261 HydrophobicContact CE1-CD2 4.32Å; F231-L261 HydrophobicContact CE2-CD1 4.34Å; F231-L261 HydrophobicContact CE2-CD2 4.34Å; F231-L261 HydrophobicContact CG-CD2 4.19Å; F231-L261 HydrophobicContact CZ-CD1 3.9Å; F231-L261 HydrophobicContact CZ-CD2 4.36Å; Q257-L261 HydrophobicContact CG-CD1 3.83Å; Q257-L261 HydrophobicContact CG-CG 4.07Å; Q257-L261 WeakPolarHBondContact O-CB 3.18Å; Q257-L261 VanDerWaalsContact O-CG 3.31Å; Q257-L261 WeakPolarHBondContact O-CG 3.46Å; Q257-L261 PolarHBondContact O-N 3.47Å; I259-L261 PolarHBondContact O-N 3.49Å; L261-G264 PolarHBondContact O-N 3.41Å; L261-N265 PolarHBondContact O-N 2.87Å; L261-N265 PolarHBondContact O-OD1 3.31Å
262K97.4Very high97.1Very high60 Ų6027.6 Ų27.626%0.26113%0.134SC..Hα-helixtrans-65.8-40.7170.3-73.2-179.3167.3-72.50112H258 I259 G264 N265 Y266 I353 T356H258-K262 PolarHBondContact O-N 3.31Å; I259-K262 WeakPolarHBondContact O-CB 3.33Å; I259-K262 PolarHBondContact O-N 2.93Å; K262-G264 VanDerWaalsContact C-N 3.29Å; K262-N265 PolarHBondContact O-N 2.79Å; K262-Y266 PolarHBondContact O-N 2.73Å; K262-Y266 VanDerWaalsContact O-N 3.16Å; K262-I353 HydrophobicContact CB-CD1 4.27Å; K262-I353 HydrophobicContact CB-CG1 3.88Å; K262-T356 HydrophobicContact CD-CG2 4.43Å
263L97.2Very high97.1Very high0 Ų028.1 Ų28.10%014%0.136CC..Hα-helixtrans-61.7-40171.5-73.4163.2000111.3F234 I259 L260 Y266 F267 I353 L377 V378 L381F234-L263 HydrophobicContact CD1-CB 4.06Å; F234-L263 HydrophobicContact CE1-CB 4.2Å; F234-L263 HydrophobicContact CG-CB 4.41Å; I259-L263 HydrophobicContact CG2-CD1 4.35Å; I259-L263 PolarHBondContact O-N 3.15Å; I259-L263 VanDerWaalsContact O-N 3.17Å; L260-L263 HydrophobicContact CD2-CD1 4.01Å; L260-L263 WeakPolarHBondContact O-CB 3.13Å; L260-L263 PolarHBondContact O-N 2.88Å; L263-Y266 PolarHBondContact O-N 2.86Å; L263-F267 VanDerWaalsContact O-CB 3.3Å; L263-F267 WeakPolarHBondContact O-CB 3.26Å; L263-F267 PolarHBondContact O-N 3.37Å; L263-I353 HydrophobicContact CD2-CD1 4.12Å; L263-I353 HydrophobicContact CD2-CG2 4.05Å; L263-I353 HydrophobicContact CG-CD1 4.42Å; L263-I353 HydrophobicContact CG-CG2 4.21Å; L263-L377 HydrophobicContact CD1-CB 4.15Å; L263-L377 HydrophobicContact CD1-CD1 4.28Å; L263-V378 HydrophobicContact CD2-CG2 3.78Å; L263-L381 HydrophobicContact CB-CD1 4.28Å; L263-L381 HydrophobicContact CD2-CD1 3.74Å
264G96.7Very high97Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-57.8-45.6172.100000113.4T225 F234 L260 L261 K262 F267 Q268T225-G264 VanDerWaalsContact CG2-O 3.31Å; T225-G264 WeakPolarHBondContact CG2-O 3.49Å; F234-G264 VanDerWaalsContact CD2-CA 3.48Å; L260-G264 PolarHBondContact O-N 3.08Å; L261-G264 PolarHBondContact O-N 3.41Å; K262-G264 VanDerWaalsContact C-N 3.29Å; G264-F267 PolarHBondContact O-N 2.83Å; G264-Q268 PolarHBondContact O-N 3Å
265N96.1Very high96.9Very high29 Ų2922.8 Ų22.816%0.15511%0.114CC..Hα-helixtrans-56.6-51.2176.2-77.99000112.5T225 H226 L261 K262 Q268 A269T225-N265 VanDerWaalsContact CG2-CA 3.47Å; T225-N265 HydrophobicContact CG2-CB 4.41Å; T225-N265 WeakPolarHBondContact CG2-OD1 3.44Å; H226-N265 PolarHBondContact CD2-OD1 3.34Å; H226-N265 PolarHBondContact NE2-ND2 2.97Å; H226-N265 PolarHBondContact NE2-OD1 3.4Å; L261-N265 PolarHBondContact O-N 2.87Å; L261-N265 PolarHBondContact O-OD1 3.31Å; K262-N265 PolarHBondContact O-N 2.79Å; N265-Q268 PolarHBondContact O-N 2.82Å; N265-A269 PolarHBondContact O-N 3.16Å
266Y96.8Very high96.8Very high0 Ų020.7 Ų20.70%010%0.099CC..Hα-helixtrans-63.3-42.5176.2169.2-108.6000112.3K262 L263 Q268 A269 Q270 Y345 E346 T349 L381 F382K262-Y266 PolarHBondContact O-N 2.73Å; K262-Y266 VanDerWaalsContact O-N 3.16Å; L263-Y266 PolarHBondContact O-N 2.86Å; Y266-Q268 VanDerWaalsContact C-N 3.31Å; Y266-Q268 PolarHBondContact O-N 3.35Å; Y266-A269 PolarHBondContact O-N 3.48Å; Y266-Q270 WeakPolarHBondContact O-CB 3.3Å; Y266-Q270 PolarHBondContact O-N 3.46Å; Y266-Q270 PolarHBondContact OH-NE2 3.25Å; Y266-Q270 VanDerWaalsContact OH-NE2 3.08Å; Y266-Y345 HydrophobicContact CD2-CE1 4.41Å; Y266-E346 HydrophobicContact CE2-CB 4.09Å; Y266-E346 HydrophobicContact CE2-CG 3.69Å; Y266-E346 PolarHBondContact OH-OE1 3.29Å; Y266-T349 HydrophobicContact CD2-CG2 4.46Å; Y266-T349 HydrophobicContact CG-CG2 4.44Å; Y266-L381 HydrophobicContact CD1-CB 4.42Å; Y266-L381 HydrophobicContact CD1-CD1 4.33Å; Y266-L381 HydrophobicContact CE1-CB 4.03Å; Y266-F382 HydrophobicContact CD1-CD2 4.14Å; Y266-F382 HydrophobicContact CD1-CE1 4.1Å; Y266-F382 AromaticContact CD1-CE2 3.44Å; Y266-F382 HydrophobicContact CD1-CE2 3.44Å; Y266-F382 VanDerWaalsContact CD1-CE2 3.44Å; Y266-F382 AromaticContact CD1-CZ 3.42Å; Y266-F382 HydrophobicContact CD1-CZ 3.42Å; Y266-F382 VanDerWaalsContact CD1-CZ 3.42Å; Y266-F382 AromaticContact CD2-CE1 4Å; Y266-F382 HydrophobicContact CD2-CE1 4Å; Y266-F382 AromaticContact CD2-CZ 3.82Å; Y266-F382 HydrophobicContact CD2-CZ 3.82Å; Y266-F382 AromaticContact CE1-CD1 3.92Å; Y266-F382 HydrophobicContact CE1-CD1 3.92Å; Y266-F382 AromaticContact CE1-CD2 3.63Å; Y266-F382 HydrophobicContact CE1-CD2 3.63Å; Y266-F382 AromaticContact CE1-CE1 3.65Å; Y266-F382 HydrophobicContact CE1-CE1 3.65Å; Y266-F382 AromaticContact CE1-CE2 3.38Å; Y266-F382 HydrophobicContact CE1-CE2 3.38Å; Y266-F382 AromaticContact CE1-CG 3.94Å; Y266-F382 HydrophobicContact CE1-CG 3.94Å; Y266-F382 AromaticContact CE1-CZ 3.4Å; Y266-F382 HydrophobicContact CE1-CZ 3.4Å; Y266-F382 HydrophobicContact CE2-CD1 4.21Å; Y266-F382 AromaticContact CE2-CE1 3.56Å; Y266-F382 HydrophobicContact CE2-CE1 3.56Å; Y266-F382 AromaticContact CE2-CZ 3.82Å; Y266-F382 HydrophobicContact CE2-CZ 3.82Å; Y266-F382 HydrophobicContact CG-CE1 4.24Å; Y266-F382 HydrophobicContact CG-CE2 4.09Å; Y266-F382 AromaticContact CG-CZ 3.62Å; Y266-F382 HydrophobicContact CG-CZ 3.62Å; Y266-F382 AromaticContact CZ-CD1 3.6Å; Y266-F382 AromaticContact CZ-CE1 3.35Å; Y266-F382 AromaticContact CZ-CZ 3.6Å; Y266-F382 WeakPolarHBondContact OH-CD1 3.46Å
267F96.3Very high96.6Very high25 Ų2523.3 Ų23.311%0.1111%0.111CC..Hα-helixtrans-60.6-39.8-179.2178.3-96.1000112.6T229 T233 F234 L263 G264 Q270 D271 L381T229-F267 HydrophobicContact CG2-CD1 3.68Å; T229-F267 HydrophobicContact CG2-CE1 4.07Å; T233-F267 HydrophobicContact CG2-CE1 4.36Å; F234-F267 HydrophobicContact CE2-CB 3.46Å; F234-F267 VanDerWaalsContact CE2-CB 3.46Å; F234-F267 AromaticContact CE2-CD1 3.88Å; F234-F267 HydrophobicContact CE2-CD1 3.88Å; F234-F267 HydrophobicContact CE2-CD2 4.3Å; F234-F267 AromaticContact CE2-CG 3.61Å; F234-F267 HydrophobicContact CE2-CG 3.61Å; F234-F267 HydrophobicContact CZ-CB 3.49Å; F234-F267 VanDerWaalsContact CZ-CB 3.49Å; F234-F267 HydrophobicContact CZ-CD1 4.25Å; F234-F267 AromaticContact CZ-CD2 3.83Å; F234-F267 HydrophobicContact CZ-CD2 3.83Å; F234-F267 AromaticContact CZ-CG 3.58Å; F234-F267 HydrophobicContact CZ-CG 3.58Å; L263-F267 VanDerWaalsContact O-CB 3.3Å; L263-F267 WeakPolarHBondContact O-CB 3.26Å; L263-F267 PolarHBondContact O-N 3.37Å; G264-F267 PolarHBondContact O-N 2.83Å; F267-Q270 PolarHBondContact O-N 3.34Å; F267-D271 PolarHBondContact O-N 2.91Å; F267-L381 HydrophobicContact CD2-CD2 3.72Å; F267-L381 HydrophobicContact CE2-CD2 4.31Å
268Q96.9Very high96.3Very high13 Ų1321.7 Ų21.76%0.06111%0.109CC..Hα-helixtrans-67.8-45174.8-169.760.956.600111.3F221 T225 T229 G264 N265 Y266 Q270 D271 D272F221-Q268 HydrophobicContact CE2-CG 4.02Å; F221-Q268 HydrophobicContact CZ-CB 4.46Å; F221-Q268 HydrophobicContact CZ-CG 4.36Å; T225-Q268 HydrophobicContact CG2-CB 3.35Å; T225-Q268 HydrophobicContact CG2-CG 4.05Å; T225-Q268 WeakPolarHBondContact OG1-CG 3.49Å; T229-Q268 PolarHBondContact OG1-OE1 2.79Å; G264-Q268 PolarHBondContact O-N 3Å; N265-Q268 PolarHBondContact O-N 2.82Å; Y266-Q268 VanDerWaalsContact C-N 3.31Å; Y266-Q268 PolarHBondContact O-N 3.35Å; Q268-Q270 PolarHBondContact O-N 3.21Å; Q268-D271 PolarHBondContact O-N 3.3Å; Q268-D272 PolarHBondContact NE2-OD1 3.41Å; Q268-D272 PolarHBondContact O-N 3.28Å; Q268-D272 VanDerWaalsContact O-OD1 3.09Å
269A97.1Very high95.9Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-58.5-35.6175.700000112.3F221 N265 Y266 Y273 W297 Y342 Y345F221-A269 HydrophobicContact CZ-CB 4.25Å; N265-A269 PolarHBondContact O-N 3.16Å; Y266-A269 PolarHBondContact O-N 3.48Å; A269-Y273 WeakPolarHBondContact O-CB 3.29Å; A269-Y273 PolarHBondContact O-N 3.33Å; A269-W297 HydrophobicContact CB-CB 3.87Å; A269-W297 HydrophobicContact CB-CD2 4.46Å; A269-W297 HydrophobicContact CB-CG 3.73Å; A269-Y342 WeakPolarHBondContact O-CE2 3.29Å; A269-Y345 HydrophobicContact CB-CE1 3.71Å
270Q95.7Very high95.2Very high7 Ų723 Ų233%0.03313%0.125CC..Hα-helixtrans-67.6-43.3172.1-176-175.475.900112.5Y266 F267 Q268 D272 Y273 L274 Y342 L381Y266-Q270 WeakPolarHBondContact O-CB 3.3Å; Y266-Q270 PolarHBondContact O-N 3.46Å; Y266-Q270 PolarHBondContact OH-NE2 3.25Å; Y266-Q270 VanDerWaalsContact OH-NE2 3.08Å; F267-Q270 PolarHBondContact O-N 3.34Å; Q268-Q270 PolarHBondContact O-N 3.21Å; Q270-D272 VanDerWaalsContact C-N 3.34Å; Q270-Y273 PolarHBondContact O-N 2.89Å; Q270-L274 HydrophobicContact CG-CD1 4.02Å; Q270-L274 HydrophobicContact CG-CG 4.43Å; Q270-L274 WeakPolarHBondContact O-CB 3.46Å; Q270-L274 VanDerWaalsContact O-CG 3.26Å; Q270-L274 WeakPolarHBondContact O-CG 3.5Å; Q270-L274 PolarHBondContact O-N 3.16Å; Q270-Y342 WeakPolarHBondContact CA-OH 3.36Å; Q270-Y342 VanDerWaalsContact CB-OH 3.26Å; Q270-Y342 WeakPolarHBondContact CB-OH 3.24Å; Q270-Y342 WeakPolarHBondContact CG-OH 3.49Å; Q270-L381 PolarHBondContact NE2-O 3.47Å; Q270-L381 VanDerWaalsContact NE2-O 3.11Å
271D94.6Very high94.6Very high50 Ų5031.3 Ų31.327%0.26716%0.164SC..Hα-helixtrans-62.4-42.7177.3-170.256.3000111.6F267 Q268 L274 D275 K285F267-D271 PolarHBondContact O-N 2.91Å; Q268-D271 PolarHBondContact O-N 3.3Å; D271-L274 PolarHBondContact O-N 2.64Å; D271-D275 WeakPolarHBondContact O-CB 3.46Å; D271-D275 PolarHBondContact O-N 3.15Å; D271-K285 IonicContact OD1-NZ 3.4Å; D271-K285 PolarHBondContact OD1-NZ 3.03Å; D271-K285 IonicContact OD2-NZ 2.72Å; D271-K285 PolarHBondContact OD2-NZ 3.28Å
272D96.7Very high93.9Very high5 Ų535.8 Ų35.83%0.02719%0.186CC..Hα-helixtrans-62.7-43.8175-63.11.5000111.7F221 Q268 Q270 D275 C276 T296 W297 L298F221-D272 VanDerWaalsContact CE2-OD2 3.24Å; F221-D272 WeakPolarHBondContact CE2-OD2 3.23Å; Q268-D272 PolarHBondContact NE2-OD1 3.41Å; Q268-D272 PolarHBondContact O-N 3.28Å; Q268-D272 VanDerWaalsContact O-OD1 3.09Å; Q270-D272 VanDerWaalsContact C-N 3.34Å; D272-D275 WeakPolarHBondContact O-CB 3.26Å; D272-D275 PolarHBondContact O-N 3.12Å; D272-C276 PolarHBondContact O-N 2.67Å; D272-T296 HydrophobicContact CB-CG2 4.23Å; D272-T296 VanDerWaalsContact OD2-CA 3.22Å; D272-T296 WeakPolarHBondContact OD2-CA 3.42Å; D272-T296 VanDerWaalsContact OD2-CB 3.31Å; D272-T296 WeakPolarHBondContact OD2-CB 3.41Å; D272-W297 HydrophobicContact CB-CB 4.47Å; D272-W297 PolarHBondContact OD2-N 3.25Å; D272-L298 WeakPolarHBondContact O-CD1 3.44Å
273Y96.6Very high93.3Very high22 Ų2235 Ų359%0.08619%0.186CC..Hα-helixtrans-61.5-46176.2178.2-94.7000111.2A269 Q270 D275 C276 F277 L298 P339 Y342A269-Y273 WeakPolarHBondContact O-CB 3.29Å; A269-Y273 PolarHBondContact O-N 3.33Å; Q270-Y273 PolarHBondContact O-N 2.89Å; Y273-D275 VanDerWaalsContact C-N 3.29Å; Y273-D275 PolarHBondContact O-N 3.22Å; Y273-C276 PolarHBondContact O-N 3.41Å; Y273-F277 AromaticContact CD2-CD2 3.61Å; Y273-F277 HydrophobicContact CD2-CD2 3.61Å; Y273-F277 HydrophobicContact CD2-CE2 4.25Å; Y273-F277 HydrophobicContact CE1-CB 4.13Å; Y273-F277 HydrophobicContact CE2-CB 4.14Å; Y273-F277 AromaticContact CE2-CD2 3.4Å; Y273-F277 HydrophobicContact CE2-CD2 3.4Å; Y273-F277 HydrophobicContact CE2-CE2 4.05Å; Y273-F277 HydrophobicContact CE2-CG 4.03Å; Y273-F277 HydrophobicContact CG-CD2 4.37Å; Y273-F277 PolarHBondContact O-N 3.41Å; Y273-L298 HydrophobicContact CD2-CD2 4.39Å; Y273-P339 HydrophobicContact CE2-CB 4.2Å; Y273-Y342 AromaticContact CD1-CD1 4Å; Y273-Y342 HydrophobicContact CD1-CD1 4Å; Y273-Y342 AromaticContact CD1-CE1 3.81Å; Y273-Y342 HydrophobicContact CD1-CE1 3.81Å; Y273-Y342 AromaticContact CD2-CD1 3.6Å; Y273-Y342 HydrophobicContact CD2-CD1 3.6Å; Y273-Y342 AromaticContact CD2-CD2 3.88Å; Y273-Y342 HydrophobicContact CD2-CD2 3.88Å; Y273-Y342 HydrophobicContact CD2-CE1 4.17Å; Y273-Y342 HydrophobicContact CD2-CE2 4.4Å; Y273-Y342 AromaticContact CD2-CG 3.45Å; Y273-Y342 HydrophobicContact CD2-CG 3.45Å; Y273-Y342 VanDerWaalsContact CD2-CG 3.45Å; Y273-Y342 HydrophobicContact CE1-CD1 4.17Å; Y273-Y342 HydrophobicContact CE1-CE1 4.23Å; Y273-Y342 AromaticContact CE2-CD1 3.81Å; Y273-Y342 HydrophobicContact CE2-CD1 3.81Å; Y273-Y342 AromaticContact CE2-CG 3.92Å; Y273-Y342 HydrophobicContact CE2-CG 3.92Å; Y273-Y342 AromaticContact CG-CD1 3.71Å; Y273-Y342 HydrophobicContact CG-CD1 3.71Å; Y273-Y342 AromaticContact CG-CD2 3.98Å; Y273-Y342 HydrophobicContact CG-CD2 3.98Å; Y273-Y342 AromaticContact CG-CE1 3.77Å; Y273-Y342 HydrophobicContact CG-CE1 3.77Å; Y273-Y342 HydrophobicContact CG-CE2 4.03Å; Y273-Y342 AromaticContact CG-CG 3.83Å; Y273-Y342 HydrophobicContact CG-CG 3.83Å; Y273-Y342 AromaticContact CG-CZ 3.94Å
274L94.6Very high92.7Very high24 Ų2435.5 Ų35.513%0.12619%0.192CC..Hα-helixtrans-68.9-26.5178.1-69.4173.6000112.7Q270 D271 C276 G278 T283Q270-L274 HydrophobicContact CG-CD1 4.02Å; Q270-L274 HydrophobicContact CG-CG 4.43Å; Q270-L274 WeakPolarHBondContact O-CB 3.46Å; Q270-L274 VanDerWaalsContact O-CG 3.26Å; Q270-L274 WeakPolarHBondContact O-CG 3.5Å; Q270-L274 PolarHBondContact O-N 3.16Å; D271-L274 PolarHBondContact O-N 2.64Å; L274-C276 VanDerWaalsContact C-N 3.34Å; L274-G278 WeakPolarHBondContact O-CA 3.36Å; L274-G278 PolarHBondContact O-N 2.96Å; L274-T283 HydrophobicContact CB-CG2 4.3Å
275D94.9Very high92.3Very high10 Ų1036.6 Ų36.65%0.05320%0.197CC..Hα-helixtrans-63.9-41.5171.6-157.8-89.8000111.4D271 D272 Y273 K285 G287 T288 D289 R330D271-D275 WeakPolarHBondContact O-CB 3.46Å; D271-D275 PolarHBondContact O-N 3.15Å; D272-D275 WeakPolarHBondContact O-CB 3.26Å; D272-D275 PolarHBondContact O-N 3.12Å; Y273-D275 VanDerWaalsContact C-N 3.29Å; Y273-D275 PolarHBondContact O-N 3.22Å; D275-K285 IonicContact OD2-NZ 2.87Å; D275-K285 PolarHBondContact OD2-NZ 3.49Å; D275-G287 WeakPolarHBondContact O-CA 3.33Å; D275-G287 VanDerWaalsContact OD1-C 3.28Å; D275-G287 WeakPolarHBondContact OD1-CA 3.4Å; D275-G287 VanDerWaalsContact OD2-CA 3.26Å; D275-G287 WeakPolarHBondContact OD2-CA 3.32Å; D275-T288 PolarHBondContact OD1-N 3.1Å; D275-D289 WeakPolarHBondContact CB-OD2 3.37Å; D275-D289 WeakPolarHBondContact OD1-CB 3.49Å; D275-D289 PolarHBondContact OD1-N 3.19Å; D275-R330 PolarHBondContact O-NH1 3.11Å
276C96.3Very high92Very high7 Ų738.6 Ų38.65%0.04721%0.21CC..Hα-helixtrans-85.7-36.1-179.3-174.90000114.5D272 Y273 L274 L298 R330D272-C276 PolarHBondContact O-N 2.67Å; Y273-C276 PolarHBondContact O-N 3.41Å; L274-C276 VanDerWaalsContact C-N 3.34Å; C276-L298 HydrophobicContact CB-CD1 3.18Å; C276-R330 VanDerWaalsContact CA-NH1 3.29Å; C276-R330 PolarHBondContact O-NH1 2.91Å
277F94.8Very high91.8Very high55 Ų5539.3 Ų39.324%0.24122%0.217CC..Hα-helixtrans-125-6.2-169.3-62.4-70.6000114Y273 L298 Y333 D334 P339Y273-F277 AromaticContact CD2-CD2 3.61Å; Y273-F277 HydrophobicContact CD2-CD2 3.61Å; Y273-F277 HydrophobicContact CD2-CE2 4.25Å; Y273-F277 HydrophobicContact CE1-CB 4.13Å; Y273-F277 HydrophobicContact CE2-CB 4.14Å; Y273-F277 AromaticContact CE2-CD2 3.4Å; Y273-F277 HydrophobicContact CE2-CD2 3.4Å; Y273-F277 HydrophobicContact CE2-CE2 4.05Å; Y273-F277 HydrophobicContact CE2-CG 4.03Å; Y273-F277 HydrophobicContact CG-CD2 4.37Å; Y273-F277 PolarHBondContact O-N 3.41Å; F277-L298 HydrophobicContact CD2-CD2 4.43Å; F277-L298 HydrophobicContact CE2-CD1 4.39Å; F277-L298 HydrophobicContact CE2-CD2 3.85Å; F277-Y333 HydrophobicContact CZ-CD2 4.27Å; F277-D334 WeakPolarHBondContact CE1-OD1 3.38Å; F277-P339 HydrophobicContact CD1-CG 4.47Å; F277-P339 HydrophobicContact CE1-CG 4.08Å; F277-P339 HydrophobicContact CE2-CG 4.19Å; F277-P339 HydrophobicContact CZ-CG 3.91Å
278G91.3Very high91.6Very high22 Ų2239.5 Ų39.523%0.22722%0.22CC..SBendtrans-75146.3179.100000112.4L274 S280L274-G278 WeakPolarHBondContact O-CA 3.36Å; L274-G278 PolarHBondContact O-N 2.96Å; G278-S280 PolarHBondContact O-N 3.45Å
279D88.5Confident91.5Very high74 Ų7439.8 Ų39.840%0.39622%0.222SC..  trans-71.4122.4170.5-173.9-13.7000110.1E281 I282 T283D279-E281 PolarHBondContact O-N 3.13Å; D279-E281 WeakPolarHBondContact OD1-CB 3.46Å; D279-E281 PolarHBondContact OD1-N 2.88Å; D279-I282 HydrophobicContact CB-CB 4.26Å; D279-I282 HydrophobicContact CB-CD1 3.99Å; D279-I282 HydrophobicContact CB-CG1 4.03Å; D279-I282 PolarHBondContact O-N 3.27Å; D279-T283 WeakPolarHBondContact O-CG2 3.29Å; D279-T283 PolarHBondContact O-N 2.9Å; D279-T283 PolarHBondContact O-OG1 3.18Å
280S85.2Confident91.5Very high63 Ų6340 Ų4044%0.44122%0.223SC..Hα-helixtrans-59.4-27.7177.5630000113.8G278 I282 T283 G284 K285G278-S280 PolarHBondContact O-N 3.45Å; S280-I282 VanDerWaalsContact C-N 3.27Å; S280-I282 PolarHBondContact O-N 3.34Å; S280-T283 WeakPolarHBondContact CA-OG1 3.47Å; S280-G284 WeakPolarHBondContact O-CA 3.39Å; S280-G284 PolarHBondContact O-N 3Å; S280-K285 WeakPolarHBondContact CB-O 3.31Å
281E85.1Confident91.4Very high175 Ų17540.7 Ų40.782%0.81823%0.23SC*.Hα-helixtrans-69.5-28.1175.7-63.4-169.517200111.8D279D279-E281 PolarHBondContact O-N 3.13Å; D279-E281 WeakPolarHBondContact OD1-CB 3.46Å; D279-E281 PolarHBondContact OD1-N 2.88Å
282I84.2Confident91.3Very high110 Ų11040.6 Ų40.656%0.56423%0.228SC*.Hα-helixtrans-91.6-45.6179.8-59.6178.6000110.9D279 S280 G284 C386D279-I282 HydrophobicContact CB-CB 4.26Å; D279-I282 HydrophobicContact CB-CD1 3.99Å; D279-I282 HydrophobicContact CB-CG1 4.03Å; D279-I282 PolarHBondContact O-N 3.27Å; S280-I282 VanDerWaalsContact C-N 3.27Å; S280-I282 PolarHBondContact O-N 3.34Å; I282-G284 VanDerWaalsContact C-N 3.33Å; I282-C386 WeakPolarHBondContact CD1-OXT 3.25Å
283T83.4Confident91.1Very high43 Ų4340.4 Ų40.426%0.26423%0.227SC..Hα-helixtrans-74.5-27.1-178.165.20000112.1L274 D279 S280 K285L274-T283 HydrophobicContact CB-CG2 4.3Å; D279-T283 WeakPolarHBondContact O-CG2 3.29Å; D279-T283 PolarHBondContact O-N 2.9Å; D279-T283 PolarHBondContact O-OG1 3.18Å; S280-T283 WeakPolarHBondContact CA-OG1 3.47Å; T283-K285 PolarHBondContact O-N 3.03Å; T283-K285 PolarHBondContact OG1-N 3.47Å; T283-K285 PolarHBondContact OG1-O 2.94Å
284G85.2Confident90.9Very high11 Ų1139.5 Ų39.511%0.11322%0.224CC..SBendtrans66.120.4-175.700000113.6R111 G112 S280 I282R111-G284 PolarHBondContact N-O 2.85Å; R111-G284 VanDerWaalsContact N-O 3.16Å; G112-G284 PolarHBondContact N-O 3.17Å; S280-G284 WeakPolarHBondContact O-CA 3.39Å; S280-G284 PolarHBondContact O-N 3Å; I282-G284 VanDerWaalsContact C-N 3.33Å
285K88.6Confident90.9Very high24 Ų2438.5 Ų38.510%0.10422%0.219CC..SBendtrans-134.5153.3171.469.8171.9-170.9169.40110D271 D275 S280 T283D271-K285 IonicContact OD1-NZ 3.4Å; D271-K285 PolarHBondContact OD1-NZ 3.03Å; D271-K285 IonicContact OD2-NZ 2.72Å; D271-K285 PolarHBondContact OD2-NZ 3.28Å; D275-K285 IonicContact OD2-NZ 2.87Å; D275-K285 PolarHBondContact OD2-NZ 3.49Å; S280-K285 WeakPolarHBondContact CB-O 3.31Å; T283-K285 PolarHBondContact O-N 3.03Å; T283-K285 PolarHBondContact OG1-N 3.47Å; T283-K285 PolarHBondContact OG1-O 2.94Å
286V89.5Confident91Very high71 Ų7138.2 Ų38.243%0.4322%0.217SC..  trans-96.3131168.1178.10000107.1L109L109-V286 HydrophobicContact CD1-CG2 4.28Å
287G91.6Very high91.1Very high15 Ų1538.3 Ų38.316%0.15522%0.217CC..  trans-70.5132.818000000112.9D275D275-G287 WeakPolarHBondContact O-CA 3.33Å; D275-G287 VanDerWaalsContact OD1-C 3.28Å; D275-G287 WeakPolarHBondContact OD1-CA 3.4Å; D275-G287 VanDerWaalsContact OD2-CA 3.26Å; D275-G287 WeakPolarHBondContact OD2-CA 3.32Å
288T93.3Very high91.2Very high28 Ų2835.9 Ų35.917%0.17221%0.206CC..  trans-121.5-12-175.460.90000113.4D275 I290 A291 E292D275-T288 PolarHBondContact OD1-N 3.1Å; T288-I290 PolarHBondContact O-N 2.93Å; T288-A291 WeakPolarHBondContact O-CA 3.48Å; T288-A291 WeakPolarHBondContact O-CB 3.46Å; T288-A291 PolarHBondContact O-N 3.42Å; T288-E292 WeakPolarHBondContact CB-OE1 3.27Å; T288-E292 PolarHBondContact O-N 3.37Å; T288-E292 PolarHBondContact OG1-OE1 3.46Å
289D95.2Very high91.5Very high20 Ų2034.9 Ų34.911%0.10720%0.195CC..Hα-helixtrans-59.1-42.3-166.3-75.1-22.1000113.6D275 A291 E292 G293 K294 T296D275-D289 WeakPolarHBondContact CB-OD2 3.37Å; D275-D289 WeakPolarHBondContact OD1-CB 3.49Å; D275-D289 PolarHBondContact OD1-N 3.19Å; D289-A291 VanDerWaalsContact C-N 3.33Å; D289-A291 PolarHBondContact O-N 2.85Å; D289-E292 PolarHBondContact O-N 3.21Å; D289-G293 PolarHBondContact O-N 2.96Å; D289-K294 HydrophobicContact CB-CB 4.09Å; D289-K294 HydrophobicContact CB-CG 4.34Å; D289-K294 PolarHBondContact O-N 3.29Å; D289-T296 HydrophobicContact CB-CG2 3.78Å; D289-T296 WeakPolarHBondContact OD2-CG2 3.31Å
290I95.4Very high91.8Very high4 Ų431.8 Ų31.82%0.02118%0.179CC..Hα-helixtrans-64.1-40.9178.1-65.1174000110.9T288 E292 G293 Y318 G319 Q326 V329 R330 Y333T288-I290 PolarHBondContact O-N 2.93Å; I290-E292 VanDerWaalsContact C-N 3.35Å; I290-G293 PolarHBondContact O-N 3.02Å; I290-Y318 HydrophobicContact CB-CE2 4.32Å; I290-Y318 HydrophobicContact CG1-CE2 4.09Å; I290-Y318 HydrophobicContact CG2-CD2 4.12Å; I290-Y318 HydrophobicContact CG2-CE2 4.25Å; I290-G319 VanDerWaalsContact O-CA 3.31Å; I290-G319 WeakPolarHBondContact O-CA 3.43Å; I290-G319 PolarHBondContact O-N 3.03Å; I290-Q326 HydrophobicContact CG2-CB 4.3Å; I290-Q326 HydrophobicContact CG2-CG 4.15Å; I290-V329 HydrophobicContact CD1-CB 4.28Å; I290-V329 HydrophobicContact CD1-CG1 3.87Å; I290-V329 HydrophobicContact CG1-CG1 4.19Å; I290-V329 HydrophobicContact CG2-CB 3.84Å; I290-V329 HydrophobicContact CG2-CG1 3.96Å; I290-V329 HydrophobicContact CG2-CG2 3.94Å; I290-R330 HydrophobicContact CD1-CG 3.75Å; I290-Y333 HydrophobicContact CD1-CE2 4.25Å
291A93.7Very high92.4Very high21 Ų2130 Ų3017%0.17416%0.164CC..Hα-helixtrans-70.3-36.5-178.300000111.3T288 D289 G319 K320 Q326T288-A291 WeakPolarHBondContact O-CA 3.48Å; T288-A291 WeakPolarHBondContact O-CB 3.46Å; T288-A291 PolarHBondContact O-N 3.42Å; D289-A291 VanDerWaalsContact C-N 3.33Å; D289-A291 PolarHBondContact O-N 2.85Å; A291-G319 CarbonylContact O-C 3.18Å; A291-G319 WeakPolarHBondContact O-CA 3.48Å; A291-K320 WeakPolarHBondContact CA-O 3.47Å; A291-K320 PolarHBondContact O-N 2.94Å; A291-Q326 HydrophobicContact CB-CG 4.11Å
292E92.4Very high92.9Very high49 Ų4921.6 Ų21.623%0.22913%0.125CC..Hα-helixtrans-79.1-20.5177.9-69.1-178.4-142.200113.3D105 T288 D289 I290 K294D105-E292 WeakPolarHBondContact CA-OE1 3.25Å; D105-E292 WeakPolarHBondContact CB-OE1 3.35Å; T288-E292 WeakPolarHBondContact CB-OE1 3.27Å; T288-E292 PolarHBondContact O-N 3.37Å; T288-E292 PolarHBondContact OG1-OE1 3.46Å; D289-E292 PolarHBondContact O-N 3.21Å; I290-E292 VanDerWaalsContact C-N 3.35Å; E292-K294 HydrophobicContact CB-CG 3.9Å; E292-K294 WeakPolarHBondContact OE2-CE 3.41Å; E292-K294 IonicContact OE2-NZ 3.17Å; E292-K294 PolarHBondContact OE2-NZ 2.94Å
293G93Very high93.4Very high0 Ų018.2 Ų18.20%011%0.108CC..THydrogen-bonded Turntrans80.325.6-178.600000113S192 Y216 D289 I290 Y318S192-G293 CarbonylContact C-O 3.59Å; S192-G293 VanDerWaalsContact CA-O 3.25Å; S192-G293 WeakPolarHBondContact CA-O 3.35Å; S192-G293 CarbonylContact O-C 3.43Å; S192-G293 WeakPolarHBondContact O-CA 3.35Å; Y216-G293 VanDerWaalsContact CE1-O 3.31Å; Y216-G293 WeakPolarHBondContact CE1-O 3.31Å; Y216-G293 PolarHBondContact OH-O 3.21Å; D289-G293 PolarHBondContact O-N 2.96Å; I290-G293 PolarHBondContact O-N 3.02Å; G293-Y318 VanDerWaalsContact C-CE1 3.45Å; G293-Y318 VanDerWaalsContact CA-CE1 3.48Å
294K93.6Very high93.9Very high4 Ų421.9 Ų21.92%0.01712%0.12CC..  trans-60148.6-175.2-67.3-91.4178.11750112.5D105 D188 S192 D289 E292 T296 Y318D105-K294 IonicContact OD1-NZ 3.16Å; D105-K294 PolarHBondContact OD1-NZ 3.36Å; D105-K294 IonicContact OD2-NZ 2.86Å; D188-K294 WeakPolarHBondContact OD1-CD 3.34Å; D188-K294 IonicContact OD2-NZ 2.65Å; D188-K294 PolarHBondContact OD2-NZ 3.27Å; S192-K294 VanDerWaalsContact OG-CD 3.31Å; S192-K294 WeakPolarHBondContact OG-CD 3.11Å; D289-K294 HydrophobicContact CB-CB 4.09Å; D289-K294 HydrophobicContact CB-CG 4.34Å; D289-K294 PolarHBondContact O-N 3.29Å; E292-K294 HydrophobicContact CB-CG 3.9Å; E292-K294 WeakPolarHBondContact OE2-CE 3.41Å; E292-K294 IonicContact OE2-NZ 3.17Å; E292-K294 PolarHBondContact OE2-NZ 2.94Å; K294-T296 HydrophobicContact CB-CG2 3.93Å; K294-T296 PolarHBondContact O-N 2.83Å; K294-T296 VanDerWaalsContact O-N 3.11Å; K294-Y318 WeakPolarHBondContact O-CE1 3.4Å; K294-Y318 PolarHBondContact O-OH 3.46Å
295C94.5Very high94.4Very high3 Ų326.4 Ų26.42%0.0213%0.134CC..  trans-81.285.9171.2-175.70000110.4S191 N215 Y216 V220 I224S191-C295 WeakPolarHBondContact OG-CB 3.38Å; N215-C295 WeakPolarHBondContact O-CB 3.37Å; N215-C295 PolarHBondContact O-SG 2.86Å; Y216-C295 HydrophobicContact CD1-CB 3.96Å; Y216-C295 HydrophobicContact CE1-CB 4.43Å; V220-C295 HydrophobicContact CG1-CB 4.22Å; I224-C295 HydrophobicContact CD1-CB 3.84Å
296T96.6Very high94.7Very high4 Ų426.6 Ų26.63%0.02514%0.136CC..  trans-98.7164.6-179.361.40000112.4D272 D289 K294 L298 I299 V300D272-T296 HydrophobicContact CB-CG2 4.23Å; D272-T296 VanDerWaalsContact OD2-CA 3.22Å; D272-T296 WeakPolarHBondContact OD2-CA 3.42Å; D272-T296 VanDerWaalsContact OD2-CB 3.31Å; D272-T296 WeakPolarHBondContact OD2-CB 3.41Å; D289-T296 HydrophobicContact CB-CG2 3.78Å; D289-T296 WeakPolarHBondContact OD2-CG2 3.31Å; K294-T296 HydrophobicContact CB-CG2 3.93Å; K294-T296 PolarHBondContact O-N 2.83Å; K294-T296 VanDerWaalsContact O-N 3.11Å; T296-L298 PolarHBondContact O-N 3.35Å; T296-I299 VanDerWaalsContact O-CG2 3.3Å; T296-I299 WeakPolarHBondContact O-CG2 3.49Å; T296-I299 PolarHBondContact O-N 3.28Å; T296-I299 PolarHBondContact OG1-N 2.82Å; T296-V300 WeakPolarHBondContact O-CG2 3.24Å; T296-V300 PolarHBondContact O-N 2.94Å
297W97.8Very high95Very high9 Ų925.4 Ų25.43%0.03413%0.131CC..Hα-helixtrans-51.7-39.5169.3-178.689.9000111.4F221 A269 D272 V300 E301 L338 Y342 Y345F221-W297 HydrophobicContact CE1-CB 4.21Å; F221-W297 HydrophobicContact CE2-CB 3.95Å; F221-W297 HydrophobicContact CZ-CB 3.71Å; F221-W297 HydrophobicContact CZ-CG 4.45Å; A269-W297 HydrophobicContact CB-CB 3.87Å; A269-W297 HydrophobicContact CB-CD2 4.46Å; A269-W297 HydrophobicContact CB-CG 3.73Å; D272-W297 HydrophobicContact CB-CB 4.47Å; D272-W297 PolarHBondContact OD2-N 3.25Å; W297-V300 PolarHBondContact O-N 3.46Å; W297-E301 HydrophobicContact CD2-CB 4.29Å; W297-E301 HydrophobicContact CE3-CB 4.32Å; W297-E301 HydrophobicContact CH2-CB 4.04Å; W297-E301 HydrophobicContact CH2-CG 3.69Å; W297-E301 HydrophobicContact CZ2-CB 4.04Å; W297-E301 HydrophobicContact CZ2-CG 3.7Å; W297-E301 HydrophobicContact CZ3-CB 4.2Å; W297-E301 HydrophobicContact CZ3-CG 4.29Å; W297-E301 WeakPolarHBondContact O-CB 3.45Å; W297-E301 PolarHBondContact O-N 2.89Å; W297-L338 HydrophobicContact CH2-CD1 4.31Å; W297-L338 HydrophobicContact CZ3-CD1 4.13Å; W297-L338 HydrophobicContact CZ3-CG 4.2Å; W297-Y342 HydrophobicContact CD2-CD2 4.43Å; W297-Y342 HydrophobicContact CE3-CD2 4.02Å; W297-Y342 VanDerWaalsContact CH2-CA 3.4Å; W297-Y342 HydrophobicContact CH2-CD2 4.08Å; W297-Y342 HydrophobicContact CH2-CG 4.39Å; W297-Y342 HydrophobicContact CZ2-CD2 4.44Å; W297-Y342 AromaticContact CZ3-CD2 3.84Å; W297-Y342 HydrophobicContact CZ3-CD2 3.84Å; W297-Y342 HydrophobicContact CZ3-CG 4.27Å; W297-Y345 AromaticContact CE2-CD1 3.88Å; W297-Y345 AromaticContact CE2-CG 3.98Å; W297-Y345 AromaticContact CZ2-CD1 3.97Å; W297-Y345 HydrophobicContact CZ2-CD1 3.97Å; W297-Y345 HydrophobicContact CZ2-CD2 4.44Å; W297-Y345 AromaticContact CZ2-CG 3.78Å; W297-Y345 HydrophobicContact CZ2-CG 3.78Å; W297-Y345 AromaticContact NE1-CD1 3.65Å; W297-Y345 AromaticContact NE1-CD2 3.82Å; W297-Y345 AromaticContact NE1-CE1 3.63Å; W297-Y345 AromaticContact NE1-CE2 3.8Å; W297-Y345 AromaticContact NE1-CG 3.75Å; W297-Y345 AromaticContact NE1-CZ 3.71Å
298L98.1Very high95.1Very high4 Ų429.9 Ų29.92%0.02116%0.158CC..Hα-helixtrans-63.1-48.2-176.5-66.1168.9000112.7D272 Y273 C276 F277 T296 E301 A302 Y333 L338D272-L298 WeakPolarHBondContact O-CD1 3.44Å; Y273-L298 HydrophobicContact CD2-CD2 4.39Å; C276-L298 HydrophobicContact CB-CD1 3.18Å; F277-L298 HydrophobicContact CD2-CD2 4.43Å; F277-L298 HydrophobicContact CE2-CD1 4.39Å; F277-L298 HydrophobicContact CE2-CD2 3.85Å; T296-L298 PolarHBondContact O-N 3.35Å; L298-E301 PolarHBondContact O-N 3.22Å; L298-A302 WeakPolarHBondContact O-CB 3.27Å; L298-A302 PolarHBondContact O-N 3.17Å; L298-Y333 HydrophobicContact CB-CE2 3.87Å; L298-Y333 HydrophobicContact CD1-CE2 4.26Å; L298-L338 HydrophobicContact CB-CD2 4Å; L298-L338 HydrophobicContact CD2-CD2 3.53Å; L298-L338 HydrophobicContact CD2-CG 3.95Å; L298-L338 HydrophobicContact CG-CD2 4.39Å
299I95.8Very high95.3Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-68.7-41.8179.2-175.3160.5000111.4F212 Y216 T296 E301 A302 L303 L314 Y318F212-I299 HydrophobicContact CE1-CD1 4.43Å; F212-I299 HydrophobicContact CZ-CD1 4.24Å; Y216-I299 HydrophobicContact CD1-CD1 3.83Å; Y216-I299 HydrophobicContact CD1-CG1 4.35Å; Y216-I299 HydrophobicContact CD1-CG2 3.87Å; Y216-I299 HydrophobicContact CD2-CD1 3.53Å; Y216-I299 HydrophobicContact CD2-CG1 4.24Å; Y216-I299 HydrophobicContact CE1-CD1 4.01Å; Y216-I299 HydrophobicContact CE2-CD1 3.72Å; Y216-I299 HydrophobicContact CG-CD1 3.59Å; Y216-I299 HydrophobicContact CG-CG1 3.97Å; Y216-I299 HydrophobicContact CG-CG2 4.19Å; T296-I299 VanDerWaalsContact O-CG2 3.3Å; T296-I299 WeakPolarHBondContact O-CG2 3.49Å; T296-I299 PolarHBondContact O-N 3.28Å; T296-I299 PolarHBondContact OG1-N 2.82Å; I299-E301 VanDerWaalsContact C-N 3.29Å; I299-E301 PolarHBondContact O-N 2.95Å; I299-A302 PolarHBondContact O-N 3.43Å; I299-L303 HydrophobicContact CG1-CD1 4.19Å; I299-L303 HydrophobicContact CG1-CG 4.35Å; I299-L303 VanDerWaalsContact O-CG 3.24Å; I299-L303 WeakPolarHBondContact O-CG 3.46Å; I299-L303 PolarHBondContact O-N 3.45Å; I299-L314 HydrophobicContact CD1-CD2 4.27Å; I299-L314 HydrophobicContact CG1-CD2 4.24Å; I299-Y318 HydrophobicContact CB-CE1 4.45Å; I299-Y318 HydrophobicContact CB-CE2 4.37Å; I299-Y318 HydrophobicContact CD1-CD1 3.48Å; I299-Y318 VanDerWaalsContact CD1-CD1 3.48Å; I299-Y318 HydrophobicContact CD1-CD2 4.17Å; I299-Y318 HydrophobicContact CD1-CE1 3.33Å; I299-Y318 HydrophobicContact CD1-CE2 4.06Å; I299-Y318 HydrophobicContact CD1-CG 3.91Å; I299-Y318 HydrophobicContact CG1-CE1 4.47Å
300V95.3Very high95.4Very high10 Ų1036.9 Ų36.96%0.06119%0.188CC..Hα-helixtrans-59.2-43.3177.1172.10000111P218 F221 T296 W297P218-V300 HydrophobicContact CB-CG1 4.19Å; P218-V300 HydrophobicContact CG-CG1 3.73Å; F221-V300 HydrophobicContact CB-CG2 3.87Å; T296-V300 WeakPolarHBondContact O-CG2 3.24Å; T296-V300 PolarHBondContact O-N 2.94Å; W297-V300 PolarHBondContact O-N 3.46Å
301E97.3Very high95.4Very high24 Ų2438.6 Ų38.611%0.11219%0.194CC..Hα-helixtrans-74.2-42.3-180-167.766.4-16000111.6W297 L298 I299 L303 K304 Y305 L338W297-E301 HydrophobicContact CD2-CB 4.29Å; W297-E301 HydrophobicContact CE3-CB 4.32Å; W297-E301 HydrophobicContact CH2-CB 4.04Å; W297-E301 HydrophobicContact CH2-CG 3.69Å; W297-E301 HydrophobicContact CZ2-CB 4.04Å; W297-E301 HydrophobicContact CZ2-CG 3.7Å; W297-E301 HydrophobicContact CZ3-CB 4.2Å; W297-E301 HydrophobicContact CZ3-CG 4.29Å; W297-E301 WeakPolarHBondContact O-CB 3.45Å; W297-E301 PolarHBondContact O-N 2.89Å; L298-E301 PolarHBondContact O-N 3.22Å; I299-E301 VanDerWaalsContact C-N 3.29Å; I299-E301 PolarHBondContact O-N 2.95Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.39Å; E301-K304 WeakPolarHBondContact O-CB 3.15Å; E301-K304 PolarHBondContact O-N 2.76Å; E301-K304 IonicContact OE1-NZ 2.84Å; E301-K304 WeakPolarHBondContact OE2-CE 3.18Å; E301-K304 IonicContact OE2-NZ 3.8Å; E301-K304 PolarHBondContact OE2-NZ 3.29Å; E301-Y305 HydrophobicContact CG-CE2 4.12Å; E301-Y305 WeakPolarHBondContact O-CD2 3.3Å; E301-Y305 WeakPolarHBondContact O-CE2 3.45Å; E301-Y305 WeakPolarHBondContact OE1-CE2 3.31Å; E301-Y305 PolarHBondContact OE1-OH 2.98Å; E301-L338 HydrophobicContact CB-CD1 3.97Å; E301-L338 HydrophobicContact CG-CD1 3.77Å
302A97.2Very high95.4Very high0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-56.8-44.6178.300000111.9L298 I299 K304 Y305 L306 Y333 I336 L338L298-A302 WeakPolarHBondContact O-CB 3.27Å; L298-A302 PolarHBondContact O-N 3.17Å; I299-A302 PolarHBondContact O-N 3.43Å; A302-K304 PolarHBondContact O-N 2.96Å; A302-Y305 PolarHBondContact O-N 3.3Å; A302-L306 WeakPolarHBondContact O-CG 3.44Å; A302-L306 PolarHBondContact O-N 2.89Å; A302-Y333 HydrophobicContact CB-CD1 3.95Å; A302-Y333 HydrophobicContact CB-CE1 3.57Å; A302-I336 HydrophobicContact CB-CD1 3.69Å; A302-L338 HydrophobicContact CB-CD2 4.25Å
303L94.6Very high95.6Very high39 Ų3942.9 Ų42.920%0.20421%0.212CC..THydrogen-bonded Turntrans-56.1-19.9-179-75.1171.4000114.1T213 I299 E301 Y305 L306 Y311 L314T213-L303 HydrophobicContact CG2-CD1 4.19Å; T213-L303 HydrophobicContact CG2-CD2 3.88Å; I299-L303 HydrophobicContact CG1-CD1 4.19Å; I299-L303 HydrophobicContact CG1-CG 4.35Å; I299-L303 VanDerWaalsContact O-CG 3.24Å; I299-L303 WeakPolarHBondContact O-CG 3.46Å; I299-L303 PolarHBondContact O-N 3.45Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.39Å; L303-Y305 VanDerWaalsContact C-N 3.31Å; L303-L306 HydrophobicContact CD2-CD1 4.23Å; L303-Y311 HydrophobicContact CD2-CD2 3.94Å; L303-Y311 HydrophobicContact CD2-CE2 3.82Å; L303-L314 HydrophobicContact CD2-CD2 4.11Å
304K94.1Very high95.8Very high119 Ų11942.9 Ų42.952%0.51721%0.212SC..THydrogen-bonded Turntrans-74.9-18.5175.5-59.4172.5-175.6170.70113.7E301 A302E301-K304 WeakPolarHBondContact O-CB 3.15Å; E301-K304 PolarHBondContact O-N 2.76Å; E301-K304 IonicContact OE1-NZ 2.84Å; E301-K304 WeakPolarHBondContact OE2-CE 3.18Å; E301-K304 IonicContact OE2-NZ 3.8Å; E301-K304 PolarHBondContact OE2-NZ 3.29Å; A302-K304 PolarHBondContact O-N 2.96Å
305Y94.8Very high95.7Very high107 Ų10746 Ų4642%0.4223%0.226SC..THydrogen-bonded Turntrans-124-8.2-167.3-57.2-70.2000114.6E301 A302 L303 K341E301-Y305 HydrophobicContact CG-CE2 4.12Å; E301-Y305 WeakPolarHBondContact O-CD2 3.3Å; E301-Y305 WeakPolarHBondContact O-CE2 3.45Å; E301-Y305 WeakPolarHBondContact OE1-CE2 3.31Å; E301-Y305 PolarHBondContact OE1-OH 2.98Å; A302-Y305 PolarHBondContact O-N 3.3Å; L303-Y305 VanDerWaalsContact C-N 3.31Å; Y305-K341 HydrophobicContact CD2-CD 3.75Å; Y305-K341 VanDerWaalsContact CE1-NZ 3.3Å; Y305-K341 HydrophobicContact CE2-CD 3.54Å; Y305-K341 HydrophobicContact CG-CD 4.45Å
306L95.2Very high95.6Very high28 Ų2850 Ų5015%0.14725%0.25CC..  trans-71.3134.7-177.5-62.3171.1000111.6A302 L303 Q310 L314 L332 I336A302-L306 WeakPolarHBondContact O-CG 3.44Å; A302-L306 PolarHBondContact O-N 2.89Å; L303-L306 HydrophobicContact CD2-CD1 4.23Å; L306-Q310 HydrophobicContact CB-CB 4.22Å; L306-Q310 HydrophobicContact CD2-CB 3.85Å; L306-L314 HydrophobicContact CD1-CB 4.16Å; L306-L314 HydrophobicContact CD1-CD2 3.57Å; L306-L314 HydrophobicContact CD1-CG 4.46Å; L306-L332 HydrophobicContact CD2-CD1 3.91Å; L306-L332 HydrophobicContact CD2-CD2 3.86Å; L306-L332 HydrophobicContact CD2-CG 3.96Å; L306-I336 HydrophobicContact CD2-CD1 4.13Å; L306-I336 HydrophobicContact CD2-CG2 4.17Å
307S95.7Very high95.6Very high46 Ų4651 Ų5132%0.32226%0.255SS..  trans-67.8162.2160.563.70000111E309 Q310 Y311S307-E309 VanDerWaalsContact C-N 3.26Å; S307-E309 PolarHBondContact O-N 3.31Å; S307-Q310 PolarHBondContact O-N 3.19Å; S307-Q310 VanDerWaalsContact O-N 3.16Å; S307-Q310 WeakPolarHBondContact OG-CB 3.45Å; S307-Q310 VanDerWaalsContact OG-CD 3.29Å; S307-Q310 VanDerWaalsContact OG-CG 3.25Å; S307-Q310 WeakPolarHBondContact OG-CG 3.24Å; S307-Q310 PolarHBondContact OG-N 3.2Å; S307-Q310 PolarHBondContact OG-OE1 3.22Å; S307-Y311 WeakPolarHBondContact O-CB 3.38Å; S307-Y311 PolarHBondContact O-N 3.41Å
308P94.2Very high95.4Very high109 Ų10950.8 Ų50.871%0.70825%0.254SS*.Hα-helixtrans-54.8-38.2176.6-28.236000114.1Y311 E312P308-Y311 WeakPolarHBondContact O-CB 3.47Å; P308-Y311 PolarHBondContact O-N 3.11Å; P308-E312 PolarHBondContact O-N 3.04Å
309E96.9Very high95.2Very high152 Ų15251.8 Ų51.871%0.7127%0.266SS*.Hα-helixtrans-67.2-46.7176.9-178.4-180-177.500111.7S307 Y311 E312 I313S307-E309 VanDerWaalsContact C-N 3.26Å; S307-E309 PolarHBondContact O-N 3.31Å; E309-Y311 VanDerWaalsContact C-N 3.27Å; E309-Y311 PolarHBondContact O-N 3.37Å; E309-E312 PolarHBondContact O-N 3.28Å; E309-I313 HydrophobicContact CG-CD1 4.48Å; E309-I313 WeakPolarHBondContact O-CG1 3.2Å; E309-I313 PolarHBondContact O-N 3.35Å; E309-I313 VanDerWaalsContact O-N 3.1Å
310Q97.3Very high95Very high43 Ų4356.4 Ų56.420%0.20129%0.286CS..Hα-helixtrans-64.4-33.5177.3-73170.2-41.800112.5L306 S307 I313 L314 L332L306-Q310 HydrophobicContact CB-CB 4.22Å; L306-Q310 HydrophobicContact CD2-CB 3.85Å; S307-Q310 PolarHBondContact O-N 3.19Å; S307-Q310 VanDerWaalsContact O-N 3.16Å; S307-Q310 WeakPolarHBondContact OG-CB 3.45Å; S307-Q310 VanDerWaalsContact OG-CD 3.29Å; S307-Q310 VanDerWaalsContact OG-CG 3.25Å; S307-Q310 WeakPolarHBondContact OG-CG 3.24Å; S307-Q310 PolarHBondContact OG-N 3.2Å; S307-Q310 PolarHBondContact OG-OE1 3.22Å; Q310-I313 WeakPolarHBondContact O-CB 3.41Å; Q310-I313 PolarHBondContact O-N 3.28Å; Q310-L314 PolarHBondContact O-N 3.48Å; Q310-L332 HydrophobicContact CB-CD1 3.77Å; Q310-L332 HydrophobicContact CG-CD1 3.69Å
311Y95.1Very high94.9Very high39 Ų3961 Ų6115%0.15332%0.316CS..Hα-helixtrans-61.3-46.8173.9174.9-102.8000111.7D210 F212 T213 L303 S307 P308 E309 I313 L314 K315D210-Y311 PolarHBondContact OD1-OH 2.84Å; D210-Y311 PolarHBondContact OD2-OH 3.18Å; F212-Y311 HydrophobicContact CD1-CE2 4.15Å; F212-Y311 HydrophobicContact CE1-CE2 4.47Å; T213-Y311 HydrophobicContact CG2-CE2 3.62Å; T213-Y311 WeakPolarHBondContact CG2-OH 3.25Å; L303-Y311 HydrophobicContact CD2-CD2 3.94Å; L303-Y311 HydrophobicContact CD2-CE2 3.82Å; S307-Y311 WeakPolarHBondContact O-CB 3.38Å; S307-Y311 PolarHBondContact O-N 3.41Å; P308-Y311 WeakPolarHBondContact O-CB 3.47Å; P308-Y311 PolarHBondContact O-N 3.11Å; E309-Y311 VanDerWaalsContact C-N 3.27Å; E309-Y311 PolarHBondContact O-N 3.37Å; Y311-I313 VanDerWaalsContact C-N 3.29Å; Y311-I313 PolarHBondContact O-N 3.28Å; Y311-L314 PolarHBondContact O-N 2.78Å; Y311-K315 HydrophobicContact CE1-CD 4.07Å; Y311-K315 WeakPolarHBondContact O-CB 3.17Å; Y311-K315 PolarHBondContact O-N 2.96Å
312E94.8Very high94.8Very high97 Ų9763.3 Ų63.345%0.45333%0.329SS..Hα-helixtrans-63.9-35.1176-68-56.9139.300112.3P308 E309 T316P308-E312 PolarHBondContact O-N 3.04Å; E309-E312 PolarHBondContact O-N 3.28Å; E312-T316 WeakPolarHBondContact O-CB 3.16Å; E312-T316 PolarHBondContact O-N 3.13Å; E312-T316 PolarHBondContact O-OG1 3Å
313I96.6Very high94.7Very high63 Ų6370 Ų7032%0.32336%0.363SS..Hα-helixtrans-61.8-49.8172.2-66.6168.9000110.6E309 Q310 Y311 T316 N317 T328 L332E309-I313 HydrophobicContact CG-CD1 4.48Å; E309-I313 WeakPolarHBondContact O-CG1 3.2Å; E309-I313 PolarHBondContact O-N 3.35Å; E309-I313 VanDerWaalsContact O-N 3.1Å; Q310-I313 WeakPolarHBondContact O-CB 3.41Å; Q310-I313 PolarHBondContact O-N 3.28Å; Y311-I313 VanDerWaalsContact C-N 3.29Å; Y311-I313 PolarHBondContact O-N 3.28Å; I313-T316 PolarHBondContact O-N 3.09Å; I313-N317 PolarHBondContact O-N 3.49Å; I313-N317 PolarHBondContact O-ND2 3.27Å; I313-T328 HydrophobicContact CG2-CG2 3.59Å; I313-L332 HydrophobicContact CG2-CD2 4.47Å
314L95.5Very high94.9Very high0 Ų076 Ų760%039%0.388CS..Hα-helixtrans-58.1-52.8178.1-179.970.7000110.4F212 I299 L303 L306 Q310 Y311 T316 N317 Y318 V329 L332 Y333F212-L314 HydrophobicContact CE1-CD2 4.43Å; I299-L314 HydrophobicContact CD1-CD2 4.27Å; I299-L314 HydrophobicContact CG1-CD2 4.24Å; L303-L314 HydrophobicContact CD2-CD2 4.11Å; L306-L314 HydrophobicContact CD1-CB 4.16Å; L306-L314 HydrophobicContact CD1-CD2 3.57Å; L306-L314 HydrophobicContact CD1-CG 4.46Å; Q310-L314 PolarHBondContact O-N 3.48Å; Y311-L314 PolarHBondContact O-N 2.78Å; L314-T316 PolarHBondContact O-N 3.1Å; L314-N317 PolarHBondContact O-N 3.14Å; L314-Y318 HydrophobicContact CD1-CD2 3.91Å; L314-Y318 HydrophobicContact CD1-CG 4.34Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.18Å; L314-V329 HydrophobicContact CD1-CG1 3.95Å; L314-V329 HydrophobicContact CD1-CG2 4.22Å; L314-L332 HydrophobicContact CB-CD2 3.82Å; L314-L332 HydrophobicContact CD1-CD2 4.35Å; L314-Y333 HydrophobicContact CD1-CE1 4.3Å
315K92.2Very high95Very high71 Ų7171 Ų7131%0.30937%0.368SS..Hα-helixtrans-57.6-34.2-177.9-178175.3176-178.80113.1D210 F212 Y311D210-K315 IonicContact OD2-NZ 3.46Å; D210-K315 PolarHBondContact OD2-NZ 3.34Å; F212-K315 HydrophobicContact CB-CD 4.33Å; F212-K315 HydrophobicContact CB-CG 4.36Å; F212-K315 HydrophobicContact CD1-CB 4.44Å; F212-K315 HydrophobicContact CD1-CG 4.34Å; F212-K315 HydrophobicContact CD2-CB 4.5Å; F212-K315 HydrophobicContact CD2-CG 3.89Å; F212-K315 HydrophobicContact CE1-CB 4.4Å; F212-K315 HydrophobicContact CE2-CB 4.45Å; F212-K315 HydrophobicContact CE2-CG 4.26Å; F212-K315 HydrophobicContact CG-CD 4.36Å; F212-K315 HydrophobicContact CG-CG 3.95Å; F212-K315 HydrophobicContact CZ-CB 4.41Å; Y311-K315 HydrophobicContact CE1-CD 4.07Å; Y311-K315 WeakPolarHBondContact O-CB 3.17Å; Y311-K315 PolarHBondContact O-N 2.96Å
316T93.3Very high95.1Very high86 Ų8667 Ų6753%0.52835%0.353SS..Hα-helixtrans-72.8-33.1178-60.80000112.7E312 I313 L314 K320E312-T316 WeakPolarHBondContact O-CB 3.16Å; E312-T316 PolarHBondContact O-N 3.13Å; E312-T316 PolarHBondContact O-OG1 3Å; I313-T316 PolarHBondContact O-N 3.09Å; L314-T316 PolarHBondContact O-N 3.1Å; T316-K320 WeakPolarHBondContact O-CE 3.34Å
317N95.4Very high95.2Very high24 Ų2470.1 Ų70.113%0.12837%0.367CS..Hα-helixtrans-109-20.7-167.6-68.9-80.3000114.7I313 L314 K320 S325 T328 V329I313-N317 PolarHBondContact O-N 3.49Å; I313-N317 PolarHBondContact O-ND2 3.27Å; L314-N317 PolarHBondContact O-N 3.14Å; N317-K320 WeakPolarHBondContact O-CB 3.39Å; N317-K320 WeakPolarHBondContact O-CG 3.24Å; N317-S325 WeakPolarHBondContact OD1-CA 3.34Å; N317-S325 WeakPolarHBondContact OD1-CB 3.25Å; N317-S325 PolarHBondContact OD1-OG 2.9Å; N317-T328 HydrophobicContact CB-CG2 4.39Å; N317-V329 HydrophobicContact CB-CG2 3.87Å
318Y94.6Very high95.4Very high6 Ų670 Ų702%0.02436%0.364CS..THydrogen-bonded Turntrans-74.1141.8179.8-156.6-102.2000111.6Y216 I290 G293 K294 I299 L314 K320 V329 Y333Y216-Y318 HydrophobicContact CE1-CE1 4.11Å; I290-Y318 HydrophobicContact CB-CE2 4.32Å; I290-Y318 HydrophobicContact CG1-CE2 4.09Å; I290-Y318 HydrophobicContact CG2-CD2 4.12Å; I290-Y318 HydrophobicContact CG2-CE2 4.25Å; G293-Y318 VanDerWaalsContact C-CE1 3.45Å; G293-Y318 VanDerWaalsContact CA-CE1 3.48Å; K294-Y318 WeakPolarHBondContact O-CE1 3.4Å; K294-Y318 PolarHBondContact O-OH 3.46Å; I299-Y318 HydrophobicContact CB-CE1 4.45Å; I299-Y318 HydrophobicContact CB-CE2 4.37Å; I299-Y318 HydrophobicContact CD1-CD1 3.48Å; I299-Y318 VanDerWaalsContact CD1-CD1 3.48Å; I299-Y318 HydrophobicContact CD1-CD2 4.17Å; I299-Y318 HydrophobicContact CD1-CE1 3.33Å; I299-Y318 HydrophobicContact CD1-CE2 4.06Å; I299-Y318 HydrophobicContact CD1-CG 3.91Å; I299-Y318 HydrophobicContact CG1-CE1 4.47Å; L314-Y318 HydrophobicContact CD1-CD2 3.91Å; L314-Y318 HydrophobicContact CD1-CG 4.34Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.18Å; Y318-K320 VanDerWaalsContact C-N 3.31Å; Y318-V329 HydrophobicContact CD2-CG1 3.89Å; Y318-V329 HydrophobicContact CD2-CG2 4.18Å; Y318-V329 HydrophobicContact CE2-CG1 4.23Å; Y318-Y333 WeakPolarHBondContact CE2-OH 3.33Å
319G92.7Very high95.6Very high25 Ų2564.9 Ų64.926%0.25833%0.331SS..THydrogen-bonded Turntrans68.929-174.300000113.4I290 A291I290-G319 VanDerWaalsContact O-CA 3.31Å; I290-G319 WeakPolarHBondContact O-CA 3.43Å; I290-G319 PolarHBondContact O-N 3.03Å; A291-G319 CarbonylContact O-C 3.18Å; A291-G319 WeakPolarHBondContact O-CA 3.48Å
320K93.4Very high95.6Very high97 Ų9759.9 Ų59.942%0.42231%0.306SS..  trans-111.2127176.3-61.1-60.7-179.3-170.30110.3A291 T316 N317 Y318 D322A291-K320 WeakPolarHBondContact CA-O 3.47Å; A291-K320 PolarHBondContact O-N 2.94Å; T316-K320 WeakPolarHBondContact O-CE 3.34Å; N317-K320 WeakPolarHBondContact O-CB 3.39Å; N317-K320 WeakPolarHBondContact O-CG 3.24Å; Y318-K320 VanDerWaalsContact C-N 3.31Å; K320-D322 PolarHBondContact O-N 3.27Å
321P91.7Very high95.7Very high107 Ų10761.4 Ų61.470%0.69532%0.315SS*.  trans-71.3-17.1-175.428.1-35.3000113.5Q326P321-Q326 PolarHBondContact O-NE2 3.28Å
322D95.3Very high95.8Very high72 Ų7260 Ų6039%0.38531%0.311SS..SBendtrans-75142.5-177.47494.7000112.9K320 K324 S325 Q326K320-D322 PolarHBondContact O-N 3.27Å; D322-K324 PolarHBondContact O-N 2.9Å; D322-K324 WeakPolarHBondContact OD1-CB 3.39Å; D322-K324 PolarHBondContact OD1-N 3.45Å; D322-S325 PolarHBondContact O-N 2.97Å; D322-S325 PolarHBondContact OD1-N 3.44Å; D322-S325 WeakPolarHBondContact OD2-CB 3.33Å; D322-S325 PolarHBondContact OD2-OG 2.7Å; D322-Q326 WeakPolarHBondContact O-CG 3.41Å; D322-Q326 PolarHBondContact O-N 3.49Å
323L95.5Very high96Very high139 Ų13955.4 Ų55.473%0.72829%0.289SS*.Hα-helixtrans-62.5-27.2-176.2-65.2176.2000113.2Q327L323-Q327 WeakPolarHBondContact O-CB 3.3Å; L323-Q327 PolarHBondContact O-N 3.44Å
324K98.1Very high96.1Very high166 Ų16656.2 Ų56.272%0.72229%0.294SS*.Hα-helixtrans-70.5-48.5-178.8-178.8-176.7176-175.10110.2D322 Q326 Q327 T328D322-K324 PolarHBondContact O-N 2.9Å; D322-K324 WeakPolarHBondContact OD1-CB 3.39Å; D322-K324 PolarHBondContact OD1-N 3.45Å; K324-Q326 VanDerWaalsContact C-N 3.34Å; K324-Q327 PolarHBondContact O-N 3.4Å; K324-T328 PolarHBondContact O-N 2.97Å; K324-T328 PolarHBondContact O-OG1 3.21Å
325S97.3Very high96.2Very high14 Ų1460.8 Ų60.810%0.09832%0.322CS..Hα-helixtrans-62-42.2175.5-78.40000111.9N317 D322 Q327 T328 V329N317-S325 WeakPolarHBondContact OD1-CA 3.34Å; N317-S325 WeakPolarHBondContact OD1-CB 3.25Å; N317-S325 PolarHBondContact OD1-OG 2.9Å; D322-S325 PolarHBondContact O-N 2.97Å; D322-S325 PolarHBondContact OD1-N 3.44Å; D322-S325 WeakPolarHBondContact OD2-CB 3.33Å; D322-S325 PolarHBondContact OD2-OG 2.7Å; S325-Q327 PolarHBondContact O-N 2.97Å; S325-T328 WeakPolarHBondContact O-CB 3.44Å; S325-T328 PolarHBondContact O-N 2.96Å; S325-V329 WeakPolarHBondContact O-CG2 3.43Å; S325-V329 PolarHBondContact O-N 3.18Å
326Q96.8Very high96.5Very high22 Ų2258.3 Ų58.310%0.10331%0.312CS..Hα-helixtrans-58-46.6173.8-66.2178.549.400112.1I290 A291 P321 D322 K324 T328 V329 R330I290-Q326 HydrophobicContact CG2-CB 4.3Å; I290-Q326 HydrophobicContact CG2-CG 4.15Å; A291-Q326 HydrophobicContact CB-CG 4.11Å; P321-Q326 PolarHBondContact O-NE2 3.28Å; D322-Q326 WeakPolarHBondContact O-CG 3.41Å; D322-Q326 PolarHBondContact O-N 3.49Å; K324-Q326 VanDerWaalsContact C-N 3.34Å; Q326-T328 VanDerWaalsContact C-N 3.32Å; Q326-T328 PolarHBondContact O-N 3.45Å; Q326-V329 PolarHBondContact O-N 3.35Å; Q326-R330 WeakPolarHBondContact O-CG 3.2Å; Q326-R330 PolarHBondContact O-N 3.27Å
327Q97.9Very high96.7Very high95 Ų9560.4 Ų60.444%0.44431%0.314SS..Hα-helixtrans-64.8-36.2177.8-170.461.952.100112.1L323 K324 S325 V329 R330 N331L323-Q327 WeakPolarHBondContact O-CB 3.3Å; L323-Q327 PolarHBondContact O-N 3.44Å; K324-Q327 PolarHBondContact O-N 3.4Å; S325-Q327 PolarHBondContact O-N 2.97Å; Q327-V329 VanDerWaalsContact C-N 3.32Å; Q327-V329 PolarHBondContact O-N 3.1Å; Q327-R330 PolarHBondContact O-N 3.45Å; Q327-N331 PolarHBondContact NE2-OD1 3.31Å; Q327-N331 WeakPolarHBondContact O-CB 3.23Å; Q327-N331 PolarHBondContact O-N 3.32Å; Q327-N331 PolarHBondContact O-OD1 2.88Å
328T98.5Very high96.8Very high43 Ų4359.2 Ų59.226%0.26431%0.308SS..Hα-helixtrans-60.2-41.7173.9-660000111.7I313 N317 K324 S325 Q326 L332I313-T328 HydrophobicContact CG2-CG2 3.59Å; N317-T328 HydrophobicContact CB-CG2 4.39Å; K324-T328 PolarHBondContact O-N 2.97Å; K324-T328 PolarHBondContact O-OG1 3.21Å; S325-T328 WeakPolarHBondContact O-CB 3.44Å; S325-T328 PolarHBondContact O-N 2.96Å; Q326-T328 VanDerWaalsContact C-N 3.32Å; Q326-T328 PolarHBondContact O-N 3.45Å; T328-L332 WeakPolarHBondContact O-CB 3.41Å; T328-L332 PolarHBondContact O-N 3.4Å
329V98.1Very high97Very high1 Ų160 Ų601%0.00631%0.313CS..Hα-helixtrans-65.7-45.7175.5175.90000111.2I290 L314 N317 Y318 S325 Q326 Q327 N331 L332 Y333I290-V329 HydrophobicContact CD1-CB 4.28Å; I290-V329 HydrophobicContact CD1-CG1 3.87Å; I290-V329 HydrophobicContact CG1-CG1 4.19Å; I290-V329 HydrophobicContact CG2-CB 3.84Å; I290-V329 HydrophobicContact CG2-CG1 3.96Å; I290-V329 HydrophobicContact CG2-CG2 3.94Å; L314-V329 HydrophobicContact CD1-CG1 3.95Å; L314-V329 HydrophobicContact CD1-CG2 4.22Å; N317-V329 HydrophobicContact CB-CG2 3.87Å; Y318-V329 HydrophobicContact CD2-CG1 3.89Å; Y318-V329 HydrophobicContact CD2-CG2 4.18Å; Y318-V329 HydrophobicContact CE2-CG1 4.23Å; S325-V329 WeakPolarHBondContact O-CG2 3.43Å; S325-V329 PolarHBondContact O-N 3.18Å; Q326-V329 PolarHBondContact O-N 3.35Å; Q327-V329 VanDerWaalsContact C-N 3.32Å; Q327-V329 PolarHBondContact O-N 3.1Å; V329-N331 PolarHBondContact O-N 3.45Å; V329-L332 WeakPolarHBondContact O-CB 3.46Å; V329-L332 PolarHBondContact O-N 3.44Å; V329-L332 VanDerWaalsContact O-N 3.1Å; V329-Y333 HydrophobicContact CG1-CD1 4.49Å; V329-Y333 HydrophobicContact CG1-CD2 4.16Å; V329-Y333 HydrophobicContact CG1-CE1 4.01Å; V329-Y333 HydrophobicContact CG1-CE2 3.65Å; V329-Y333 PolarHBondContact O-N 3.37Å
330R98.1Very high97.2Very high47 Ų4763.7 Ų63.718%0.17732%0.324CS..Hα-helixtrans-58.4-47.5177.2-66.4179.5-158.4-98.6-2.1111.6D275 C276 I290 Q326 Q327 L332 Y333 D334D275-R330 PolarHBondContact O-NH1 3.11Å; C276-R330 VanDerWaalsContact CA-NH1 3.29Å; C276-R330 PolarHBondContact O-NH1 2.91Å; I290-R330 HydrophobicContact CD1-CG 3.75Å; Q326-R330 WeakPolarHBondContact O-CG 3.2Å; Q326-R330 PolarHBondContact O-N 3.27Å; Q327-R330 PolarHBondContact O-N 3.45Å; R330-L332 VanDerWaalsContact C-N 3.25Å; R330-L332 PolarHBondContact O-N 3.04Å; R330-Y333 WeakPolarHBondContact O-CB 3.12Å; R330-Y333 PolarHBondContact O-N 3.05Å; R330-Y333 VanDerWaalsContact O-N 3.12Å; R330-D334 PolarHBondContact O-N 3.49Å
331N98.4Very high97.4Very high75 Ų7561.5 Ų61.540%0.40131%0.314SS..Hα-helixtrans-60-36.2175.9-67.4-6000112.4Q327 V329 T335Q327-N331 PolarHBondContact NE2-OD1 3.31Å; Q327-N331 WeakPolarHBondContact O-CB 3.23Å; Q327-N331 PolarHBondContact O-N 3.32Å; Q327-N331 PolarHBondContact O-OD1 2.88Å; V329-N331 PolarHBondContact O-N 3.45Å; N331-T335 WeakPolarHBondContact O-CB 3.34Å; N331-T335 PolarHBondContact O-N 3.37Å; N331-T335 PolarHBondContact O-OG1 3.44Å
332L98.4Very high97.7Very high11 Ų1156.6 Ų56.66%0.05828%0.282CS..Hα-helixtrans-67.2-43.6176.5177.160.5000111.1L306 Q310 I313 L314 T328 V329 R330 D334 T335 I336L306-L332 HydrophobicContact CD2-CD1 3.91Å; L306-L332 HydrophobicContact CD2-CD2 3.86Å; L306-L332 HydrophobicContact CD2-CG 3.96Å; Q310-L332 HydrophobicContact CB-CD1 3.77Å; Q310-L332 HydrophobicContact CG-CD1 3.69Å; I313-L332 HydrophobicContact CG2-CD2 4.47Å; L314-L332 HydrophobicContact CB-CD2 3.82Å; L314-L332 HydrophobicContact CD1-CD2 4.35Å; T328-L332 WeakPolarHBondContact O-CB 3.41Å; T328-L332 PolarHBondContact O-N 3.4Å; V329-L332 WeakPolarHBondContact O-CB 3.46Å; V329-L332 PolarHBondContact O-N 3.44Å; V329-L332 VanDerWaalsContact O-N 3.1Å; R330-L332 VanDerWaalsContact C-N 3.25Å; R330-L332 PolarHBondContact O-N 3.04Å; L332-D334 VanDerWaalsContact C-N 3.34Å; L332-D334 PolarHBondContact O-N 2.68Å; L332-T335 WeakPolarHBondContact O-CB 3.38Å; L332-T335 PolarHBondContact O-N 3.26Å; L332-I336 HydrophobicContact CD1-CG2 4.41Å; L332-I336 WeakPolarHBondContact O-CG1 3.22Å; L332-I336 PolarHBondContact O-N 2.97Å; L332-I336 VanDerWaalsContact O-N 3.08Å
333Y98.5Very high97.8Very high0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-60.2-41.8174.2-66.9-18.1000112.3F277 I290 L298 A302 L314 Y318 V329 R330 I336 K337 L338F277-Y333 HydrophobicContact CZ-CD2 4.27Å; I290-Y333 HydrophobicContact CD1-CE2 4.25Å; L298-Y333 HydrophobicContact CB-CE2 3.87Å; L298-Y333 HydrophobicContact CD1-CE2 4.26Å; A302-Y333 HydrophobicContact CB-CD1 3.95Å; A302-Y333 HydrophobicContact CB-CE1 3.57Å; L314-Y333 HydrophobicContact CD1-CE1 4.3Å; Y318-Y333 WeakPolarHBondContact CE2-OH 3.33Å; V329-Y333 HydrophobicContact CG1-CD1 4.49Å; V329-Y333 HydrophobicContact CG1-CD2 4.16Å; V329-Y333 HydrophobicContact CG1-CE1 4.01Å; V329-Y333 HydrophobicContact CG1-CE2 3.65Å; V329-Y333 PolarHBondContact O-N 3.37Å; R330-Y333 WeakPolarHBondContact O-CB 3.12Å; R330-Y333 PolarHBondContact O-N 3.05Å; R330-Y333 VanDerWaalsContact O-N 3.12Å; Y333-I336 HydrophobicContact CD1-CD1 4.49Å; Y333-I336 WeakPolarHBondContact O-CG1 3.47Å; Y333-I336 PolarHBondContact O-N 3.38Å; Y333-K337 PolarHBondContact O-N 2.94Å; Y333-L338 HydrophobicContact CD1-CD2 3.61Å; Y333-L338 HydrophobicContact CD2-CD2 4.05Å; Y333-L338 HydrophobicContact CE1-CD2 4.09Å; Y333-L338 HydrophobicContact CE2-CD2 4.47Å; Y333-L338 HydrophobicContact CG-CD2 3.59Å; Y333-L338 VanDerWaalsContact O-CB 3.31Å; Y333-L338 WeakPolarHBondContact O-CB 3.21Å; Y333-L338 PolarHBondContact O-N 2.95Å
334D98Very high97.8Very high80 Ų8054.8 Ų54.843%0.42827%0.27SS..Hα-helixtrans-62.1-44.4173.2-69.3-31.8000111.6F277 R330 L332 I336 K337F277-D334 WeakPolarHBondContact CE1-OD1 3.38Å; R330-D334 PolarHBondContact O-N 3.49Å; L332-D334 VanDerWaalsContact C-N 3.34Å; L332-D334 PolarHBondContact O-N 2.68Å; D334-I336 VanDerWaalsContact C-N 3.28Å; D334-I336 PolarHBondContact O-N 3.46Å; D334-K337 PolarHBondContact O-N 2.86Å
335T98.1Very high97.8Very high96 Ų9649.4 Ų49.459%0.58925%0.245SC*.Hα-helixtrans-60-38.6-179.1-61.50000112.1N331 L332 K337N331-T335 WeakPolarHBondContact O-CB 3.34Å; N331-T335 PolarHBondContact O-N 3.37Å; N331-T335 PolarHBondContact O-OG1 3.44Å; L332-T335 WeakPolarHBondContact O-CB 3.38Å; L332-T335 PolarHBondContact O-N 3.26Å; T335-K337 VanDerWaalsContact C-N 3.26Å; T335-K337 PolarHBondContact O-N 3.36Å
336I97.9Very high97.7Very high19 Ų1950.8 Ų50.810%0.09725%0.25CC..THydrogen-bonded Turntrans-86.97.2177.368.7175.5000113.4A302 L306 L332 Y333 D334 L338 K341A302-I336 HydrophobicContact CB-CD1 3.69Å; L306-I336 HydrophobicContact CD2-CD1 4.13Å; L306-I336 HydrophobicContact CD2-CG2 4.17Å; L332-I336 HydrophobicContact CD1-CG2 4.41Å; L332-I336 WeakPolarHBondContact O-CG1 3.22Å; L332-I336 PolarHBondContact O-N 2.97Å; L332-I336 VanDerWaalsContact O-N 3.08Å; Y333-I336 HydrophobicContact CD1-CD1 4.49Å; Y333-I336 WeakPolarHBondContact O-CG1 3.47Å; Y333-I336 PolarHBondContact O-N 3.38Å; D334-I336 VanDerWaalsContact C-N 3.28Å; D334-I336 PolarHBondContact O-N 3.46Å; I336-L338 VanDerWaalsContact C-N 3.35Å; I336-L338 HydrophobicContact CG1-CB 4.23Å; I336-L338 PolarHBondContact O-N 3.35Å; I336-K341 WeakPolarHBondContact O-CE 3.26Å
337K98Very high97.7Very high129 Ų12955.9 Ų55.956%0.56127%0.274SS*.THydrogen-bonded Turntrans58.743.4178.6-59.8-173.5179.3-172.70113Y333 D334 T335 E340 K341Y333-K337 PolarHBondContact O-N 2.94Å; D334-K337 PolarHBondContact O-N 2.86Å; T335-K337 VanDerWaalsContact C-N 3.26Å; T335-K337 PolarHBondContact O-N 3.36Å; K337-E340 WeakPolarHBondContact CA-OE2 3.29Å; K337-E340 HydrophobicContact CB-CB 4.49Å; K337-E340 VanDerWaalsContact CB-OE2 3.25Å; K337-E340 WeakPolarHBondContact CB-OE2 3.41Å; K337-E340 PolarHBondContact O-N 2.66Å; K337-K341 WeakPolarHBondContact O-CG 3.48Å; K337-K341 PolarHBondContact O-N 3.2Å
338L98Very high97.6Very high0 Ų056.1 Ų56.10%028%0.275CS..Hα-helixtrans-65.1-36.8-179.4-161.159000113.1W297 L298 E301 A302 Y333 I336 E340 K341 Y342W297-L338 HydrophobicContact CH2-CD1 4.31Å; W297-L338 HydrophobicContact CZ3-CD1 4.13Å; W297-L338 HydrophobicContact CZ3-CG 4.2Å; L298-L338 HydrophobicContact CB-CD2 4Å; L298-L338 HydrophobicContact CD2-CD2 3.53Å; L298-L338 HydrophobicContact CD2-CG 3.95Å; L298-L338 HydrophobicContact CG-CD2 4.39Å; E301-L338 HydrophobicContact CB-CD1 3.97Å; E301-L338 HydrophobicContact CG-CD1 3.77Å; A302-L338 HydrophobicContact CB-CD2 4.25Å; Y333-L338 HydrophobicContact CD1-CD2 3.61Å; Y333-L338 HydrophobicContact CD2-CD2 4.05Å; Y333-L338 HydrophobicContact CE1-CD2 4.09Å; Y333-L338 HydrophobicContact CE2-CD2 4.47Å; Y333-L338 HydrophobicContact CG-CD2 3.59Å; Y333-L338 VanDerWaalsContact O-CB 3.31Å; Y333-L338 WeakPolarHBondContact O-CB 3.21Å; Y333-L338 PolarHBondContact O-N 2.95Å; I336-L338 VanDerWaalsContact C-N 3.35Å; I336-L338 HydrophobicContact CG1-CB 4.23Å; I336-L338 PolarHBondContact O-N 3.35Å; L338-E340 PolarHBondContact O-N 2.98Å; L338-K341 HydrophobicContact CD1-CB 4.4Å; L338-K341 HydrophobicContact CD1-CD 4.04Å; L338-K341 WeakPolarHBondContact O-CB 3.47Å; L338-K341 PolarHBondContact O-N 2.91Å; L338-Y342 PolarHBondContact O-N 3.26Å
339P97.6Very high97.6Very high21 Ų2154.8 Ų54.814%0.13627%0.267CS..Hα-helixtrans-57.1-44.1171.8-27.637.3000113.8Y273 F277 K341 Y342 H343Y273-P339 HydrophobicContact CE2-CB 4.2Å; F277-P339 HydrophobicContact CD1-CG 4.47Å; F277-P339 HydrophobicContact CE1-CG 4.08Å; F277-P339 HydrophobicContact CE2-CG 4.19Å; F277-P339 HydrophobicContact CZ-CG 3.91Å; P339-K341 VanDerWaalsContact C-N 3.32Å; P339-K341 PolarHBondContact O-N 3.29Å; P339-Y342 WeakPolarHBondContact O-CB 3.42Å; P339-Y342 PolarHBondContact O-N 3.29Å; P339-H343 PolarHBondContact O-CD2 3.06Å; P339-H343 PolarHBondContact O-N 2.93Å
340E98Very high97.5Very high104 Ų10459 Ų5949%0.48629%0.285SS..Hα-helixtrans-66.5-35.4177.6-60.596.313400112.1K337 L338 Y342 H343 L344K337-E340 WeakPolarHBondContact CA-OE2 3.29Å; K337-E340 HydrophobicContact CB-CB 4.49Å; K337-E340 VanDerWaalsContact CB-OE2 3.25Å; K337-E340 WeakPolarHBondContact CB-OE2 3.41Å; K337-E340 PolarHBondContact O-N 2.66Å; L338-E340 PolarHBondContact O-N 2.98Å; E340-Y342 VanDerWaalsContact C-N 3.34Å; E340-H343 PolarHBondContact O-N 3.34Å; E340-L344 PolarHBondContact O-N 3.19Å; E340-L344 VanDerWaalsContact O-N 3.13Å
341K98.1Very high97.5Very high51 Ų5160 Ų6022%0.22230%0.3CS..Hα-helixtrans-65.9-38173.2-67.1168.9-170.9-63.90111.7Y305 I336 K337 L338 P339 L344 Y345Y305-K341 HydrophobicContact CD2-CD 3.75Å; Y305-K341 VanDerWaalsContact CE1-NZ 3.3Å; Y305-K341 HydrophobicContact CE2-CD 3.54Å; Y305-K341 HydrophobicContact CG-CD 4.45Å; I336-K341 WeakPolarHBondContact O-CE 3.26Å; K337-K341 WeakPolarHBondContact O-CG 3.48Å; K337-K341 PolarHBondContact O-N 3.2Å; L338-K341 HydrophobicContact CD1-CB 4.4Å; L338-K341 HydrophobicContact CD1-CD 4.04Å; L338-K341 WeakPolarHBondContact O-CB 3.47Å; L338-K341 PolarHBondContact O-N 2.91Å; P339-K341 VanDerWaalsContact C-N 3.32Å; P339-K341 PolarHBondContact O-N 3.29Å; K341-L344 PolarHBondContact O-N 3.37Å; K341-Y345 WeakPolarHBondContact O-CB 3.45Å; K341-Y345 PolarHBondContact O-N 2.87Å
342Y97.5Very high97.4Very high4 Ų461.5 Ų61.52%0.01630%0.304CS..Hα-helixtrans-62.2-47.1175.5174.8-97000111.2A269 Q270 Y273 W297 L338 P339 E340 L344 Y345 E346A269-Y342 WeakPolarHBondContact O-CE2 3.29Å; Q270-Y342 WeakPolarHBondContact CA-OH 3.36Å; Q270-Y342 VanDerWaalsContact CB-OH 3.26Å; Q270-Y342 WeakPolarHBondContact CB-OH 3.24Å; Q270-Y342 WeakPolarHBondContact CG-OH 3.49Å; Y273-Y342 AromaticContact CD1-CD1 4Å; Y273-Y342 HydrophobicContact CD1-CD1 4Å; Y273-Y342 AromaticContact CD1-CE1 3.81Å; Y273-Y342 HydrophobicContact CD1-CE1 3.81Å; Y273-Y342 AromaticContact CD2-CD1 3.6Å; Y273-Y342 HydrophobicContact CD2-CD1 3.6Å; Y273-Y342 AromaticContact CD2-CD2 3.88Å; Y273-Y342 HydrophobicContact CD2-CD2 3.88Å; Y273-Y342 HydrophobicContact CD2-CE1 4.17Å; Y273-Y342 HydrophobicContact CD2-CE2 4.4Å; Y273-Y342 AromaticContact CD2-CG 3.45Å; Y273-Y342 HydrophobicContact CD2-CG 3.45Å; Y273-Y342 VanDerWaalsContact CD2-CG 3.45Å; Y273-Y342 HydrophobicContact CE1-CD1 4.17Å; Y273-Y342 HydrophobicContact CE1-CE1 4.23Å; Y273-Y342 AromaticContact CE2-CD1 3.81Å; Y273-Y342 HydrophobicContact CE2-CD1 3.81Å; Y273-Y342 AromaticContact CE2-CG 3.92Å; Y273-Y342 HydrophobicContact CE2-CG 3.92Å; Y273-Y342 AromaticContact CG-CD1 3.71Å; Y273-Y342 HydrophobicContact CG-CD1 3.71Å; Y273-Y342 AromaticContact CG-CD2 3.98Å; Y273-Y342 HydrophobicContact CG-CD2 3.98Å; Y273-Y342 AromaticContact CG-CE1 3.77Å; Y273-Y342 HydrophobicContact CG-CE1 3.77Å; Y273-Y342 HydrophobicContact CG-CE2 4.03Å; Y273-Y342 AromaticContact CG-CG 3.83Å; Y273-Y342 HydrophobicContact CG-CG 3.83Å; Y273-Y342 AromaticContact CG-CZ 3.94Å; W297-Y342 HydrophobicContact CD2-CD2 4.43Å; W297-Y342 HydrophobicContact CE3-CD2 4.02Å; W297-Y342 VanDerWaalsContact CH2-CA 3.4Å; W297-Y342 HydrophobicContact CH2-CD2 4.08Å; W297-Y342 HydrophobicContact CH2-CG 4.39Å; W297-Y342 HydrophobicContact CZ2-CD2 4.44Å; W297-Y342 AromaticContact CZ3-CD2 3.84Å; W297-Y342 HydrophobicContact CZ3-CD2 3.84Å; W297-Y342 HydrophobicContact CZ3-CG 4.27Å; L338-Y342 PolarHBondContact O-N 3.26Å; P339-Y342 WeakPolarHBondContact O-CB 3.42Å; P339-Y342 PolarHBondContact O-N 3.29Å; E340-Y342 VanDerWaalsContact C-N 3.34Å; Y342-L344 VanDerWaalsContact C-N 3.32Å; Y342-L344 PolarHBondContact O-N 2.66Å; Y342-Y345 HydrophobicContact CD2-CD1 4.48Å; Y342-Y345 WeakPolarHBondContact O-CB 3.39Å; Y342-Y345 PolarHBondContact O-N 2.96Å; Y342-Y345 VanDerWaalsContact O-N 3.16Å; Y342-E346 WeakPolarHBondContact O-CB 3.31Å; Y342-E346 PolarHBondContact O-N 3.38Å
343H96.3Very high97.4Very high81 Ų8161.1 Ų61.138%0.37530%0.302SS..Hα-helixtrans-61.7-38.7177.1-67.5-54.9000112.7P339 E340 E346 E347P339-H343 PolarHBondContact O-CD2 3.06Å; P339-H343 PolarHBondContact O-N 2.93Å; E340-H343 PolarHBondContact O-N 3.34Å; H343-E346 IonicContact ND1-OE2 3.24Å; H343-E346 WeakPolarHBondContact O-CB 3.45Å; H343-E346 PolarHBondContact O-N 2.93Å; H343-E347 WeakPolarHBondContact O-CG 3.26Å; H343-E347 PolarHBondContact O-N 3.35Å; H343-E347 VanDerWaalsContact O-N 3.08Å
344L97Very high97.4Very high92 Ų9263.5 Ų63.548%0.48231%0.314SS..Hα-helixtrans-65-44173.4-178.862.4000112E340 K341 Y342 E346 E347 Q348E340-L344 PolarHBondContact O-N 3.19Å; E340-L344 VanDerWaalsContact O-N 3.13Å; K341-L344 PolarHBondContact O-N 3.37Å; Y342-L344 VanDerWaalsContact C-N 3.32Å; Y342-L344 PolarHBondContact O-N 2.66Å; L344-E346 VanDerWaalsContact C-N 3.3Å; L344-E346 PolarHBondContact O-N 3.16Å; L344-E347 PolarHBondContact O-N 3.3Å; L344-Q348 HydrophobicContact CD1-CG 4.42Å; L344-Q348 WeakPolarHBondContact O-CB 3.38Å; L344-Q348 VanDerWaalsContact O-CG 3.27Å; L344-Q348 WeakPolarHBondContact O-CG 3.27Å; L344-Q348 PolarHBondContact O-N 3.48Å; L344-Q348 VanDerWaalsContact O-N 3.07Å
345Y97Very high97.4Very high52 Ų5263.6 Ų63.620%0.20431%0.313CS..Hα-helixtrans-59.7-41.3175.1165.7-99.1000111.7Y266 A269 W297 K341 Y342 Q348 T349Y266-Y345 HydrophobicContact CD2-CE1 4.41Å; A269-Y345 HydrophobicContact CB-CE1 3.71Å; W297-Y345 AromaticContact CE2-CD1 3.88Å; W297-Y345 AromaticContact CE2-CG 3.98Å; W297-Y345 AromaticContact CZ2-CD1 3.97Å; W297-Y345 HydrophobicContact CZ2-CD1 3.97Å; W297-Y345 HydrophobicContact CZ2-CD2 4.44Å; W297-Y345 AromaticContact CZ2-CG 3.78Å; W297-Y345 HydrophobicContact CZ2-CG 3.78Å; W297-Y345 AromaticContact NE1-CD1 3.65Å; W297-Y345 AromaticContact NE1-CD2 3.82Å; W297-Y345 AromaticContact NE1-CE1 3.63Å; W297-Y345 AromaticContact NE1-CE2 3.8Å; W297-Y345 AromaticContact NE1-CG 3.75Å; W297-Y345 AromaticContact NE1-CZ 3.71Å; K341-Y345 WeakPolarHBondContact O-CB 3.45Å; K341-Y345 PolarHBondContact O-N 2.87Å; Y342-Y345 HydrophobicContact CD2-CD1 4.48Å; Y342-Y345 WeakPolarHBondContact O-CB 3.39Å; Y342-Y345 PolarHBondContact O-N 2.96Å; Y342-Y345 VanDerWaalsContact O-N 3.16Å; Y345-Q348 PolarHBondContact O-N 2.65Å; Y345-T349 VanDerWaalsContact CE2-OG1 3.24Å; Y345-T349 WeakPolarHBondContact CE2-OG1 3.43Å; Y345-T349 WeakPolarHBondContact O-CB 3.33Å; Y345-T349 PolarHBondContact O-N 2.82Å; Y345-T349 PolarHBondContact O-OG1 3.3Å
346E96.1Very high97.4Very high43 Ų4360.3 Ų60.320%0.20129%0.293CS..Hα-helixtrans-59.8-52176.4176.1176.4-108.300111.4Y266 Y342 H343 L344 Q348 T349 K350 F382Y266-E346 HydrophobicContact CE2-CB 4.09Å; Y266-E346 HydrophobicContact CE2-CG 3.69Å; Y266-E346 PolarHBondContact OH-OE1 3.29Å; Y342-E346 WeakPolarHBondContact O-CB 3.31Å; Y342-E346 PolarHBondContact O-N 3.38Å; H343-E346 IonicContact ND1-OE2 3.24Å; H343-E346 WeakPolarHBondContact O-CB 3.45Å; H343-E346 PolarHBondContact O-N 2.93Å; L344-E346 VanDerWaalsContact C-N 3.3Å; L344-E346 PolarHBondContact O-N 3.16Å; E346-Q348 PolarHBondContact O-N 2.82Å; E346-T349 PolarHBondContact O-N 2.76Å; E346-K350 WeakPolarHBondContact O-CB 3.44Å; E346-K350 PolarHBondContact O-N 3.43Å; E346-F382 HydrophobicContact CG-CD1 3.62Å; E346-F382 HydrophobicContact CG-CE1 3.54Å; E346-F382 WeakPolarHBondContact O-CE1 3.36Å
347E95.8Very high97.4Very high129 Ų12959.5 Ų59.560%0.60329%0.289SS*.Hα-helixtrans-60.5-42.8179-72-176.6166.600112.8H343 L344 S351H343-E347 WeakPolarHBondContact O-CG 3.26Å; H343-E347 PolarHBondContact O-N 3.35Å; H343-E347 VanDerWaalsContact O-N 3.08Å; L344-E347 PolarHBondContact O-N 3.3Å; E347-S351 PolarHBondContact O-N 2.98Å; E347-S351 VanDerWaalsContact O-N 3.14Å; E347-S351 PolarHBondContact O-OG 3.01Å
348Q97.1Very high97.3Very high100 Ų10059.6 Ų59.647%0.46729%0.292SS..Hα-helixtrans-64.3-49.9177.2-71.9174.9-3.900110.9L344 Y345 E346 K350 S351 E352L344-Q348 HydrophobicContact CD1-CG 4.42Å; L344-Q348 WeakPolarHBondContact O-CB 3.38Å; L344-Q348 VanDerWaalsContact O-CG 3.27Å; L344-Q348 WeakPolarHBondContact O-CG 3.27Å; L344-Q348 PolarHBondContact O-N 3.48Å; L344-Q348 VanDerWaalsContact O-N 3.07Å; Y345-Q348 PolarHBondContact O-N 2.65Å; E346-Q348 PolarHBondContact O-N 2.82Å; Q348-K350 VanDerWaalsContact C-N 3.33Å; Q348-K350 PolarHBondContact O-N 3.26Å; Q348-S351 WeakPolarHBondContact O-CB 3.42Å; Q348-S351 PolarHBondContact O-N 3.46Å; Q348-S351 VanDerWaalsContact O-N 3.14Å; Q348-E352 WeakPolarHBondContact O-CG 3.49Å; Q348-E352 PolarHBondContact O-N 2.98Å
349T97Very high97.3Very high15 Ų1567.1 Ų67.19%0.09232%0.324CS..Hα-helixtrans-62.5-40.5-179.4-59.40000111.5Y266 Y345 E346 S351 E352 I353Y266-T349 HydrophobicContact CD2-CG2 4.46Å; Y266-T349 HydrophobicContact CG-CG2 4.44Å; Y345-T349 VanDerWaalsContact CE2-OG1 3.24Å; Y345-T349 WeakPolarHBondContact CE2-OG1 3.43Å; Y345-T349 WeakPolarHBondContact O-CB 3.33Å; Y345-T349 PolarHBondContact O-N 2.82Å; Y345-T349 PolarHBondContact O-OG1 3.3Å; E346-T349 PolarHBondContact O-N 2.76Å; T349-S351 VanDerWaalsContact C-N 3.34Å; T349-S351 PolarHBondContact O-N 3.39Å; T349-E352 PolarHBondContact O-N 3.5Å; T349-I353 HydrophobicContact CG2-CD1 3.77Å; T349-I353 HydrophobicContact CG2-CG1 4.37Å; T349-I353 WeakPolarHBondContact O-CB 3.3Å; T349-I353 VanDerWaalsContact O-CG1 3.26Å; T349-I353 WeakPolarHBondContact O-CG1 3.39Å; T349-I353 PolarHBondContact O-N 3.35Å
350K96.9Very high97.2Very high89 Ų8966.6 Ų66.639%0.38732%0.32SS..Hα-helixtrans-56.4-49.3173.3-169.4176.3179.71740111.4E346 Q348 I353 M354 V378 F382E346-K350 WeakPolarHBondContact O-CB 3.44Å; E346-K350 PolarHBondContact O-N 3.43Å; Q348-K350 VanDerWaalsContact C-N 3.33Å; Q348-K350 PolarHBondContact O-N 3.26Å; K350-I353 PolarHBondContact O-N 2.95Å; K350-M354 WeakPolarHBondContact O-CB 3.39Å; K350-M354 VanDerWaalsContact O-CG 3.28Å; K350-M354 WeakPolarHBondContact O-CG 3.18Å; K350-M354 PolarHBondContact O-N 3.29Å; K350-V378 HydrophobicContact CG-CG1 3.97Å; K350-F382 HydrophobicContact CB-CD1 3.98Å; K350-F382 HydrophobicContact CB-CE1 3.47Å; K350-F382 VanDerWaalsContact CB-CE1 3.47Å; K350-F382 HydrophobicContact CB-CE2 4.43Å; K350-F382 HydrophobicContact CB-CZ 3.72Å; K350-F382 HydrophobicContact CD-CB 4.37Å; K350-F382 HydrophobicContact CD-CD1 3.79Å; K350-F382 HydrophobicContact CD-CE1 4.18Å; K350-F382 HydrophobicContact CD-CG 4.04Å; K350-F382 HydrophobicContact CG-CD1 4.03Å; K350-F382 HydrophobicContact CG-CD2 4.45Å; K350-F382 HydrophobicContact CG-CE1 3.96Å; K350-F382 HydrophobicContact CG-CE2 4.37Å; K350-F382 HydrophobicContact CG-CG 4.26Å; K350-F382 HydrophobicContact CG-CZ 4.12Å
351S97.2Very high97Very high70 Ų7067 Ų6749%0.4933%0.329SS..Hα-helixtrans-62.5-44.4-178.6-600000111.5E347 Q348 T349 M354 I355E347-S351 PolarHBondContact O-N 2.98Å; E347-S351 VanDerWaalsContact O-N 3.14Å; E347-S351 PolarHBondContact O-OG 3.01Å; Q348-S351 WeakPolarHBondContact O-CB 3.42Å; Q348-S351 PolarHBondContact O-N 3.46Å; Q348-S351 VanDerWaalsContact O-N 3.14Å; T349-S351 VanDerWaalsContact C-N 3.34Å; T349-S351 PolarHBondContact O-N 3.39Å; S351-M354 PolarHBondContact O-N 3.31Å; S351-I355 WeakPolarHBondContact O-CG1 3.31Å; S351-I355 PolarHBondContact O-N 3.12Å
352E97.8Very high96.7Very high106 Ų10667 Ų6750%0.49533%0.329SS..Hα-helixtrans-62.8-43.2176.7-71.5-177.3-173.200113.1Q348 T349 I355 T356Q348-E352 WeakPolarHBondContact O-CG 3.49Å; Q348-E352 PolarHBondContact O-N 2.98Å; T349-E352 PolarHBondContact O-N 3.5Å; E352-I355 PolarHBondContact O-N 2.91Å; E352-T356 PolarHBondContact O-N 2.91Å; E352-T356 PolarHBondContact O-OG1 3.18Å
353I97.9Very high96.1Very high2 Ų272.6 Ų72.61%0.0136%0.358CS..Hα-helixtrans-63.1-45.4176.9-69.4169.1000110K262 L263 T349 K350 I355 T356 I357 V378K262-I353 HydrophobicContact CB-CD1 4.27Å; K262-I353 HydrophobicContact CB-CG1 3.88Å; L263-I353 HydrophobicContact CD2-CD1 4.12Å; L263-I353 HydrophobicContact CD2-CG2 4.05Å; L263-I353 HydrophobicContact CG-CD1 4.42Å; L263-I353 HydrophobicContact CG-CG2 4.21Å; T349-I353 HydrophobicContact CG2-CD1 3.77Å; T349-I353 HydrophobicContact CG2-CG1 4.37Å; T349-I353 WeakPolarHBondContact O-CB 3.3Å; T349-I353 VanDerWaalsContact O-CG1 3.26Å; T349-I353 WeakPolarHBondContact O-CG1 3.39Å; T349-I353 PolarHBondContact O-N 3.35Å; K350-I353 PolarHBondContact O-N 2.95Å; I353-I355 VanDerWaalsContact C-N 3.35Å; I353-I355 PolarHBondContact O-N 2.8Å; I353-T356 WeakPolarHBondContact O-CB 3.19Å; I353-T356 PolarHBondContact O-N 3.42Å; I353-T356 VanDerWaalsContact O-N 3.08Å; I353-I357 HydrophobicContact CG2-CD1 3.75Å; I353-I357 HydrophobicContact CG2-CG1 4.33Å; I353-I357 WeakPolarHBondContact O-CG1 3.38Å; I353-I357 PolarHBondContact O-N 2.95Å; I353-V378 HydrophobicContact CG2-CG2 3.63Å
354M97.7Very high95.5Very high50 Ų5074.6 Ų74.625%0.24637%0.372CS..Hα-helixtrans-60.9-41177.9-72.2-61-6600112.5K350 S351 T356 I357 Q358 T375 V378K350-M354 WeakPolarHBondContact O-CB 3.39Å; K350-M354 VanDerWaalsContact O-CG 3.28Å; K350-M354 WeakPolarHBondContact O-CG 3.18Å; K350-M354 PolarHBondContact O-N 3.29Å; S351-M354 PolarHBondContact O-N 3.31Å; M354-T356 VanDerWaalsContact C-N 3.32Å; M354-T356 PolarHBondContact O-N 3.28Å; M354-I357 PolarHBondContact O-N 3.03Å; M354-I357 HydrophobicContact SD-CD1 4.22Å; M354-Q358 WeakPolarHBondContact O-CG 3.15Å; M354-Q358 PolarHBondContact O-N 3.38Å; M354-T375 HydrophobicContact CE-CG2 3.92Å; M354-T375 HydrophobicContact SD-CG2 4.35Å; M354-V378 HydrophobicContact CG-CG1 4.4Å; M354-V378 HydrophobicContact SD-CB 4.19Å; M354-V378 HydrophobicContact SD-CG1 4.02Å; M354-V378 HydrophobicContact SD-CG2 4.06Å
355I98.2Very high95.2Very high82 Ų8273 Ų7342%0.42136%0.362SS..Hα-helixtrans-62.9-40.8173.6-69164.7000110.9S351 E352 I353 Q358 K359S351-I355 WeakPolarHBondContact O-CG1 3.31Å; S351-I355 PolarHBondContact O-N 3.12Å; E352-I355 PolarHBondContact O-N 2.91Å; I353-I355 VanDerWaalsContact C-N 3.35Å; I353-I355 PolarHBondContact O-N 2.8Å; I355-Q358 PolarHBondContact O-N 3.17Å; I355-K359 HydrophobicContact CG2-CD 4.24Å; I355-K359 WeakPolarHBondContact O-CG 3.35Å; I355-K359 PolarHBondContact O-N 3.25Å; I355-K359 VanDerWaalsContact O-N 3.13Å
356T98.1Very high94.9Very high28 Ų2870.8 Ų70.817%0.17235%0.353CS..Hα-helixtrans-63.8-42.3178.1-53.10000111I259 K262 E352 I353 M354 K359 F360I259-T356 HydrophobicContact CG1-CG2 3.83Å; K262-T356 HydrophobicContact CD-CG2 4.43Å; E352-T356 PolarHBondContact O-N 2.91Å; E352-T356 PolarHBondContact O-OG1 3.18Å; I353-T356 WeakPolarHBondContact O-CB 3.19Å; I353-T356 PolarHBondContact O-N 3.42Å; I353-T356 VanDerWaalsContact O-N 3.08Å; M354-T356 VanDerWaalsContact C-N 3.32Å; M354-T356 PolarHBondContact O-N 3.28Å; T356-K359 PolarHBondContact O-N 3.28Å; T356-F360 PolarHBondContact O-N 3.01Å
357I97.7Very high94.6Very high2 Ų270.2 Ų70.21%0.0135%0.354CS..Hα-helixtrans-62.1-44.3175-67.7165000110.9I259 I353 M354 K359 F360 R371 F374 V378I259-I357 HydrophobicContact CG2-CD1 4.44Å; I259-I357 HydrophobicContact CG2-CG1 3.8Å; I353-I357 HydrophobicContact CG2-CD1 3.75Å; I353-I357 HydrophobicContact CG2-CG1 4.33Å; I353-I357 WeakPolarHBondContact O-CG1 3.38Å; I353-I357 PolarHBondContact O-N 2.95Å; M354-I357 PolarHBondContact O-N 3.03Å; M354-I357 HydrophobicContact SD-CD1 4.22Å; I357-K359 PolarHBondContact O-N 3.35Å; I357-F360 WeakPolarHBondContact O-CB 3.46Å; I357-F360 PolarHBondContact O-N 3.17Å; I357-R371 HydrophobicContact CG2-CB 3.82Å; I357-R371 HydrophobicContact CG2-CG 4.15Å; I357-F374 HydrophobicContact CB-CB 4.5Å; I357-F374 HydrophobicContact CD1-CB 3.55Å; I357-F374 HydrophobicContact CG1-CB 3.65Å; I357-F374 HydrophobicContact CG1-CG 4.48Å; I357-F374 HydrophobicContact CG2-CB 4.03Å; I357-F374 HydrophobicContact CG2-CD2 4.45Å; I357-V378 HydrophobicContact CD1-CG2 3.78Å
358Q96.9Very high94.3Very high131 Ų13166.8 Ų66.861%0.61234%0.337SS*.Hα-helixtrans-61.4-32.6178.3-74.4173.8-4.100112.9M354 I355 F360M354-Q358 WeakPolarHBondContact O-CG 3.15Å; M354-Q358 PolarHBondContact O-N 3.38Å; I355-Q358 PolarHBondContact O-N 3.17Å; Q358-F360 VanDerWaalsContact C-N 3.3Å
359K96.8Very high94.1Very high158 Ų15863.4 Ų63.469%0.68732%0.322SS*.THydrogen-bonded Turntrans-80-7.5176.7-69.8175.9-178.9177.50113.7I355 T356 I357 T361I355-K359 HydrophobicContact CG2-CD 4.24Å; I355-K359 WeakPolarHBondContact O-CG 3.35Å; I355-K359 PolarHBondContact O-N 3.25Å; I355-K359 VanDerWaalsContact O-N 3.13Å; T356-K359 PolarHBondContact O-N 3.28Å; I357-K359 PolarHBondContact O-N 3.35Å; K359-T361 PolarHBondContact O-N 2.97Å
360F96.1Very high94Very high10 Ų1062.7 Ų62.74%0.04432%0.317CS..  trans-64.5122.2177.4-178.9-103.6000110.5I252 V256 I259 T356 I357 Q358 Y362 P370 R371 F374I252-F360 HydrophobicContact CG2-CZ 4.12Å; V256-F360 HydrophobicContact CG2-CE2 3.68Å; V256-F360 HydrophobicContact CG2-CZ 3.78Å; I259-F360 HydrophobicContact CD1-CB 3.89Å; I259-F360 HydrophobicContact CD1-CD2 3.68Å; I259-F360 HydrophobicContact CD1-CG 4Å; T356-F360 PolarHBondContact O-N 3.01Å; I357-F360 WeakPolarHBondContact O-CB 3.46Å; I357-F360 PolarHBondContact O-N 3.17Å; Q358-F360 VanDerWaalsContact C-N 3.3Å; F360-Y362 AromaticContact CD1-CD1 3.67Å; F360-Y362 HydrophobicContact CD1-CD1 3.67Å; F360-Y362 HydrophobicContact CD1-CE1 4.37Å; F360-Y362 AromaticContact CE1-CD1 3.55Å; F360-Y362 HydrophobicContact CE1-CD1 3.55Å; F360-Y362 HydrophobicContact CE1-CE1 4.46Å; F360-Y362 AromaticContact CE1-CG 3.99Å; F360-Y362 HydrophobicContact CE1-CG 3.99Å; F360-P370 HydrophobicContact CD1-CB 4.44Å; F360-P370 HydrophobicContact CE1-CB 3.76Å; F360-P370 HydrophobicContact CE1-CG 4.06Å; F360-P370 HydrophobicContact CZ-CB 4.48Å; F360-R371 HydrophobicContact CB-CG 4.28Å; F360-R371 HydrophobicContact CD1-CG 4.11Å; F360-F374 HydrophobicContact CD1-CE2 4.16Å; F360-F374 HydrophobicContact CD2-CE2 4.41Å; F360-F374 HydrophobicContact CE1-CE2 4.16Å; F360-F374 HydrophobicContact CE2-CE2 4.4Å; F360-F374 HydrophobicContact CG-CE2 4.29Å; F360-F374 HydrophobicContact CZ-CE2 4.27Å
361T93.4Very high94Very high111 Ų11162.6 Ų62.668%0.68132%0.315SS*.  trans-110.3143.1178.456.30000110.6K359K359-T361 PolarHBondContact O-N 2.97Å
362Y91.3Very high93.8Very high53 Ų5360.6 Ų60.621%0.20830%0.298CS..  trans-155.6161.5178.363.5-80.8000109.5F360 F366 D369 P370F360-Y362 AromaticContact CD1-CD1 3.67Å; F360-Y362 HydrophobicContact CD1-CD1 3.67Å; F360-Y362 HydrophobicContact CD1-CE1 4.37Å; F360-Y362 AromaticContact CE1-CD1 3.55Å; F360-Y362 HydrophobicContact CE1-CD1 3.55Å; F360-Y362 HydrophobicContact CE1-CE1 4.46Å; F360-Y362 AromaticContact CE1-CG 3.99Å; F360-Y362 HydrophobicContact CE1-CG 3.99Å; Y362-F366 AromaticContact CD2-CD2 3.49Å; Y362-F366 HydrophobicContact CD2-CD2 3.49Å; Y362-F366 VanDerWaalsContact CD2-CD2 3.49Å; Y362-F366 AromaticContact CD2-CE2 3.98Å; Y362-F366 HydrophobicContact CD2-CE2 3.98Å; Y362-F366 HydrophobicContact CD2-CG 4.49Å; Y362-F366 HydrophobicContact CE2-CD2 4.17Å; Y362-F366 HydrophobicContact CG-CD2 4.16Å; Y362-F366 HydrophobicContact CG-CE2 4.27Å; Y362-D369 WeakPolarHBondContact CE1-OD1 3.35Å; Y362-D369 WeakPolarHBondContact OH-CA 3.3Å; Y362-D369 WeakPolarHBondContact OH-CB 3.44Å; Y362-D369 PolarHBondContact OH-OD1 2.7Å; Y362-D369 VanDerWaalsContact OH-OD1 3.06Å; Y362-D369 PolarHBondContact OH-OD2 2.77Å; Y362-P370 HydrophobicContact CD1-CG 4.4Å; Y362-P370 HydrophobicContact CD2-CG 4.31Å; Y362-P370 HydrophobicContact CE1-CG 4.5Å; Y362-P370 HydrophobicContact CE2-CG 4.41Å; Y362-P370 HydrophobicContact CG-CG 4.33Å; Y362-P370 VanDerWaalsContact CZ-CD 3.42Å
363L85.3Confident93.7Very high121 Ų12155.5 Ų55.563%0.63428%0.275SS*.  trans-78.7140.4175.9-64175.2000110.4H365L363-H365 WeakPolarHBondContact CB-ND1 3.33Å; L363-H365 PolarHBondContact O-N 2.96Å; L363-H365 PolarHBondContact O-ND1 3.4Å
364D85.3Confident93.6Very high123 Ų12355.4 Ų55.466%0.65827%0.274SS*.THydrogen-bonded Turntrans-76.356.6-173.7-172.333.1000114.8K72K72-D364 PolarHBondContact NZ-O 2.83Å; K72-D364 IonicContact NZ-OD1 3.58Å; K72-D364 PolarHBondContact NZ-OD1 3.07Å; K72-D364 IonicContact NZ-OD2 3.74Å; K72-D364 PolarHBondContact NZ-OD2 3.35Å
365H89.2Confident93.5Very high59 Ų5954 Ų5427%0.27327%0.268SS..THydrogen-bonded Turntrans-121.8-11.6179.166.7-69000113.6N71 K72 L363N71-H365 WeakPolarHBondContact CA-O 3.35Å; N71-H365 PolarHBondContact OD1-O 2.99Å; K72-H365 PolarHBondContact N-O 3.48Å; L363-H365 WeakPolarHBondContact CB-ND1 3.33Å; L363-H365 PolarHBondContact O-N 2.96Å; L363-H365 PolarHBondContact O-ND1 3.4Å
366F91.8Very high93.3Very high4 Ų450.1 Ų50.12%0.01825%0.249CC..BIsolated β-bridgetrans-72.2144.4176.5-63.6-34.6000112.1V68 F69 K72 V247 I252 Y362 F368 P370V68-F366 WeakPolarHBondContact O-CB 3.41Å; F69-F366 HydrophobicContact CD1-CD1 4.25Å; F69-F366 AromaticContact CD1-CD2 3.94Å; F69-F366 HydrophobicContact CD1-CD2 3.94Å; F69-F366 AromaticContact CD1-CE1 3.97Å; F69-F366 HydrophobicContact CD1-CE1 3.97Å; F69-F366 AromaticContact CD1-CE2 3.63Å; F69-F366 HydrophobicContact CD1-CE2 3.63Å; F69-F366 HydrophobicContact CD1-CG 4.25Å; F69-F366 AromaticContact CD1-CZ 3.65Å; F69-F366 HydrophobicContact CD1-CZ 3.65Å; F69-F366 HydrophobicContact CE1-CD2 4.23Å; F69-F366 AromaticContact CE1-CE2 3.79Å; F69-F366 HydrophobicContact CE1-CE2 3.79Å; F69-F366 HydrophobicContact CE1-CZ 4.15Å; F69-F366 WeakPolarHBondContact O-CD1 3.31Å; K72-F366 WeakPolarHBondContact CE-O 3.42Å; K72-F366 WeakPolarHBondContact CG-O 2.78Å; V247-F366 HydrophobicContact CG2-CE1 4.07Å; V247-F366 HydrophobicContact CG2-CZ 4.39Å; I252-F366 HydrophobicContact CD1-CE2 4.08Å; I252-F366 HydrophobicContact CD1-CZ 3.73Å; Y362-F366 AromaticContact CD2-CD2 3.49Å; Y362-F366 HydrophobicContact CD2-CD2 3.49Å; Y362-F366 VanDerWaalsContact CD2-CD2 3.49Å; Y362-F366 AromaticContact CD2-CE2 3.98Å; Y362-F366 HydrophobicContact CD2-CE2 3.98Å; Y362-F366 HydrophobicContact CD2-CG 4.49Å; Y362-F366 HydrophobicContact CE2-CD2 4.17Å; Y362-F366 HydrophobicContact CG-CD2 4.16Å; Y362-F366 HydrophobicContact CG-CE2 4.27Å; F366-F368 PolarHBondContact O-N 3.05Å; F366-P370 HydrophobicContact CD2-CG 3.66Å; F366-P370 HydrophobicContact CE2-CG 4.23Å
367S89.3Confident93.2Very high31 Ų3149 Ų4922%0.21724%0.242CC..SBendtrans-58.5-36.4-176.4-67.30000112.3M67 V68 S70 N71M67-S367 WeakPolarHBondContact O-CB 3.4Å; V68-S367 PolarHBondContact O-N 3.3Å; S70-S367 WeakPolarHBondContact O-CB 3.46Å; S70-S367 PolarHBondContact O-N 2.92Å; S70-S367 PolarHBondContact O-OG 2.99Å; N71-S367 PolarHBondContact O-OG 3.37Å
368F90.1Very high93.1Very high57 Ų5749 Ų4925%0.2524%0.242CC..SBendtrans-132.8163.3176.1-55.1-68.5000110.4M1 M67 V68 F366 P370M1-F368 HydrophobicContact CB-CD1 3.76Å; M1-F368 HydrophobicContact CB-CE1 4.35Å; M1-F368 HydrophobicContact CB-CG 4.48Å; M1-F368 HydrophobicContact CE-CD1 4.32Å; M1-F368 HydrophobicContact CE-CE1 3.46Å; M1-F368 VanDerWaalsContact CE-CE1 3.46Å; M1-F368 HydrophobicContact CE-CZ 3.81Å; M1-F368 HydrophobicContact CG-CD1 3.45Å; M1-F368 VanDerWaalsContact CG-CD1 3.45Å; M1-F368 HydrophobicContact CG-CE1 3.53Å; M1-F368 HydrophobicContact CG-CG 4.48Å; M1-F368 HydrophobicContact SD-CD1 3.53Å; M1-F368 VanDerWaalsContact SD-CD1 3.53Å; M1-F368 HydrophobicContact SD-CE1 3.25Å; M1-F368 WeakPolarHBondContact SD-CE1 3.39Å; M1-F368 HydrophobicContact SD-CE2 4.5Å; M1-F368 HydrophobicContact SD-CG 4.28Å; M1-F368 HydrophobicContact SD-CZ 3.78Å; M67-F368 HydrophobicContact CB-CE2 4.49Å; M67-F368 WeakPolarHBondContact O-CD2 3.46Å; V68-F368 HydrophobicContact CG2-CB 4.17Å; V68-F368 HydrophobicContact CG2-CD2 4.47Å; V68-F368 PolarHBondContact O-N 2.87Å; F366-F368 PolarHBondContact O-N 3.05Å; F368-P370 VanDerWaalsContact O-CD 3.27Å; F368-P370 WeakPolarHBondContact O-CD 3.49Å
369D92.4Very high92.9Very high29 Ų2945.6 Ų45.616%0.15523%0.225CC..  trans-72.7118.5174.9-177.7-16.7000109.4Y362 R371 D372Y362-D369 WeakPolarHBondContact CE1-OD1 3.35Å; Y362-D369 WeakPolarHBondContact OH-CA 3.3Å; Y362-D369 WeakPolarHBondContact OH-CB 3.44Å; Y362-D369 PolarHBondContact OH-OD1 2.7Å; Y362-D369 VanDerWaalsContact OH-OD1 3.06Å; Y362-D369 PolarHBondContact OH-OD2 2.77Å; D369-R371 VanDerWaalsContact CG-NE 3.34Å; D369-R371 PolarHBondContact O-N 3.21Å; D369-R371 WeakPolarHBondContact OD1-CB 3.39Å; D369-R371 VanDerWaalsContact OD1-CG 3.3Å; D369-R371 WeakPolarHBondContact OD1-CG 3.44Å; D369-R371 IonicContact OD1-CZ 3.55Å; D369-R371 PolarHBondContact OD1-N 3.03Å; D369-R371 IonicContact OD1-NE 3.54Å; D369-R371 PolarHBondContact OD1-NE 2.84Å; D369-R371 IonicContact OD1-NH2 3.96Å; D369-R371 IonicContact OD2-CZ 3.38Å; D369-R371 IonicContact OD2-NE 2.69Å; D369-R371 PolarHBondContact OD2-NE 3.02Å; D369-R371 IonicContact OD2-NH2 2.76Å; D369-R371 PolarHBondContact OD2-NH2 2.89Å; D369-D372 WeakPolarHBondContact CB-OD2 3.45Å; D369-D372 WeakPolarHBondContact O-CB 3.47Å; D369-D372 PolarHBondContact O-N 2.79Å; D369-D372 VanDerWaalsContact O-N 3.11Å
370P94.9Very high92.5Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-61.7-21.8178.6-23.135.1000114.4V68 F69 F360 Y362 F366 F368 D372 L373 F374V68-P370 HydrophobicContact CG1-CB 3.94Å; V68-P370 HydrophobicContact CG1-CG 3.9Å; F69-P370 HydrophobicContact CD1-CG 4.31Å; F69-P370 HydrophobicContact CE1-CB 3.99Å; F69-P370 HydrophobicContact CE1-CG 3.74Å; F69-P370 HydrophobicContact CE2-CB 4.4Å; F69-P370 HydrophobicContact CZ-CB 3.72Å; F69-P370 HydrophobicContact CZ-CG 4Å; F360-P370 HydrophobicContact CD1-CB 4.44Å; F360-P370 HydrophobicContact CE1-CB 3.76Å; F360-P370 HydrophobicContact CE1-CG 4.06Å; F360-P370 HydrophobicContact CZ-CB 4.48Å; Y362-P370 HydrophobicContact CD1-CG 4.4Å; Y362-P370 HydrophobicContact CD2-CG 4.31Å; Y362-P370 HydrophobicContact CE1-CG 4.5Å; Y362-P370 HydrophobicContact CE2-CG 4.41Å; Y362-P370 HydrophobicContact CG-CG 4.33Å; Y362-P370 VanDerWaalsContact CZ-CD 3.42Å; F366-P370 HydrophobicContact CD2-CG 3.66Å; F366-P370 HydrophobicContact CE2-CG 4.23Å; F368-P370 VanDerWaalsContact O-CD 3.27Å; F368-P370 WeakPolarHBondContact O-CD 3.49Å; P370-D372 VanDerWaalsContact C-N 3.26Å; P370-D372 PolarHBondContact O-N 3.37Å; P370-L373 WeakPolarHBondContact O-CB 3.48Å; P370-L373 PolarHBondContact O-N 2.69Å; P370-F374 HydrophobicContact CB-CE2 4.04Å; P370-F374 HydrophobicContact CB-CZ 4.27Å; P370-F374 WeakPolarHBondContact O-CD2 3.4Å; P370-F374 WeakPolarHBondContact O-CE2 3.33Å; P370-F374 WeakPolarHBondContact O-CG 3.17Å; P370-F374 PolarHBondContact O-N 3.44Å
371R95.7Very high92.3Very high88 Ų8840.2 Ų40.233%0.33220%0.204SC..Hα-helixtrans-63.5-35.9175.6-61.1172.3-69.5-169.5-0.1111.2I357 F360 D369 L373 F374 T375I357-R371 HydrophobicContact CG2-CB 3.82Å; I357-R371 HydrophobicContact CG2-CG 4.15Å; F360-R371 HydrophobicContact CB-CG 4.28Å; F360-R371 HydrophobicContact CD1-CG 4.11Å; D369-R371 VanDerWaalsContact CG-NE 3.34Å; D369-R371 PolarHBondContact O-N 3.21Å; D369-R371 WeakPolarHBondContact OD1-CB 3.39Å; D369-R371 VanDerWaalsContact OD1-CG 3.3Å; D369-R371 WeakPolarHBondContact OD1-CG 3.44Å; D369-R371 IonicContact OD1-CZ 3.55Å; D369-R371 PolarHBondContact OD1-N 3.03Å; D369-R371 IonicContact OD1-NE 3.54Å; D369-R371 PolarHBondContact OD1-NE 2.84Å; D369-R371 IonicContact OD1-NH2 3.96Å; D369-R371 IonicContact OD2-CZ 3.38Å; D369-R371 IonicContact OD2-NE 2.69Å; D369-R371 PolarHBondContact OD2-NE 3.02Å; D369-R371 IonicContact OD2-NH2 2.76Å; D369-R371 PolarHBondContact OD2-NH2 2.89Å; R371-L373 VanDerWaalsContact C-N 3.27Å; R371-L373 PolarHBondContact O-N 3.3Å; R371-F374 PolarHBondContact O-N 3.19Å; R371-T375 WeakPolarHBondContact O-CB 2.91Å; R371-T375 PolarHBondContact O-N 3Å; R371-T375 PolarHBondContact O-OG1 2.92Å
372D94.1Very high91.9Very high27 Ų2736.3 Ų36.314%0.14418%0.178CC..Hα-helixtrans-61.8-37.4176.4-62.4-34.9000111.1M1 D369 P370 F376M1-D372 VanDerWaalsContact C-OD2 3.3Å; M1-D372 PolarHBondContact N-OD2 3.2Å; D369-D372 WeakPolarHBondContact CB-OD2 3.45Å; D369-D372 WeakPolarHBondContact O-CB 3.47Å; D369-D372 PolarHBondContact O-N 2.79Å; D369-D372 VanDerWaalsContact O-N 3.11Å; P370-D372 VanDerWaalsContact C-N 3.26Å; P370-D372 PolarHBondContact O-N 3.37Å; D372-F376 VanDerWaalsContact O-CB 3.29Å; D372-F376 WeakPolarHBondContact O-CB 3.44Å; D372-F376 PolarHBondContact O-N 3.31Å
373L95.3Very high91Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-63.9-46.4174.7179.764.5000111.8I6 L61 L64 V68 F69 P370 R371 F376 L377I6-L373 HydrophobicContact CD1-CB 4.08Å; I6-L373 HydrophobicContact CD1-CD1 3.87Å; L61-L373 HydrophobicContact CD1-CD1 3.83Å; L61-L373 HydrophobicContact CD1-CD2 4.45Å; L61-L373 HydrophobicContact CD1-CG 4.4Å; L64-L373 HydrophobicContact CB-CD1 3.91Å; L64-L373 HydrophobicContact CD1-CD1 4.4Å; V68-L373 HydrophobicContact CB-CD2 4.48Å; V68-L373 HydrophobicContact CG2-CB 4.18Å; V68-L373 HydrophobicContact CG2-CD2 4.35Å; F69-L373 HydrophobicContact CE2-CD2 4.45Å; P370-L373 WeakPolarHBondContact O-CB 3.48Å; P370-L373 PolarHBondContact O-N 2.69Å; R371-L373 VanDerWaalsContact C-N 3.27Å; R371-L373 PolarHBondContact O-N 3.3Å; L373-F376 WeakPolarHBondContact O-CB 3.41Å; L373-F376 PolarHBondContact O-N 3.29Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.92Å
374F97Very high89.6Confident0 Ų038.3 Ų38.30%018%0.182CC..Hα-helixtrans-69.7-38.3-179.5-52.9-41000111.9F69 V238 V256 I259 L260 I357 F360 P370 R371 F376 L377 V378F69-F374 HydrophobicContact CZ-CZ 4.24Å; V238-F374 HydrophobicContact CG1-CE1 4.46Å; V256-F374 HydrophobicContact CB-CZ 4.37Å; V256-F374 HydrophobicContact CG1-CE1 4.17Å; V256-F374 HydrophobicContact CG1-CZ 4.02Å; V256-F374 HydrophobicContact CG2-CE2 4.43Å; V256-F374 HydrophobicContact CG2-CZ 3.78Å; I259-F374 HydrophobicContact CD1-CD2 3.91Å; I259-F374 HydrophobicContact CD1-CE2 3.99Å; I259-F374 HydrophobicContact CG2-CB 4.18Å; I259-F374 HydrophobicContact CG2-CD1 4.39Å; I259-F374 HydrophobicContact CG2-CD2 4.32Å; I259-F374 HydrophobicContact CG2-CG 4.04Å; L260-F374 HydrophobicContact CD2-CD1 4.22Å; L260-F374 HydrophobicContact CD2-CE1 4.31Å; I357-F374 HydrophobicContact CB-CB 4.5Å; I357-F374 HydrophobicContact CD1-CB 3.55Å; I357-F374 HydrophobicContact CG1-CB 3.65Å; I357-F374 HydrophobicContact CG1-CG 4.48Å; I357-F374 HydrophobicContact CG2-CB 4.03Å; I357-F374 HydrophobicContact CG2-CD2 4.45Å; F360-F374 HydrophobicContact CD1-CE2 4.16Å; F360-F374 HydrophobicContact CD2-CE2 4.41Å; F360-F374 HydrophobicContact CE1-CE2 4.16Å; F360-F374 HydrophobicContact CE2-CE2 4.4Å; F360-F374 HydrophobicContact CG-CE2 4.29Å; F360-F374 HydrophobicContact CZ-CE2 4.27Å; P370-F374 HydrophobicContact CB-CE2 4.04Å; P370-F374 HydrophobicContact CB-CZ 4.27Å; P370-F374 WeakPolarHBondContact O-CD2 3.4Å; P370-F374 WeakPolarHBondContact O-CE2 3.33Å; P370-F374 WeakPolarHBondContact O-CG 3.17Å; P370-F374 PolarHBondContact O-N 3.44Å; R371-F374 PolarHBondContact O-N 3.19Å; F374-F376 VanDerWaalsContact C-N 3.34Å; F374-L377 WeakPolarHBondContact O-CB 3.3Å; F374-L377 PolarHBondContact O-N 3.46Å; F374-V378 WeakPolarHBondContact O-CG2 3.33Å; F374-V378 PolarHBondContact O-N 3.03Å
375T95.8Very high87.7Confident19 Ų1936.7 Ų36.712%0.11719%0.187CC..Hα-helixtrans-62.6-41.5172.9-64.50000111.3T3 M354 R371 L377 V378 E379T3-T375 HydrophobicContact CG2-CG2 4.23Å; M354-T375 HydrophobicContact CE-CG2 3.92Å; M354-T375 HydrophobicContact SD-CG2 4.35Å; R371-T375 WeakPolarHBondContact O-CB 2.91Å; R371-T375 PolarHBondContact O-N 3Å; R371-T375 PolarHBondContact O-OG1 2.92Å; T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 3.4Å; T375-V378 WeakPolarHBondContact O-CB 3.31Å; T375-V378 PolarHBondContact O-N 2.94Å; T375-E379 WeakPolarHBondContact O-CG 3.44Å; T375-E379 PolarHBondContact O-N 3.16Å
376F93.7Very high85.2Confident2 Ų238.7 Ų38.71%0.00921%0.206CC..Hα-helixtrans-60-39.7172.8167.8-104.7000113.1T3 I6 H7 Y10 L64 D372 L373 F374 E379 L380T3-F376 HydrophobicContact CG2-CB 4.46Å; I6-F376 HydrophobicContact CD1-CB 4.17Å; I6-F376 HydrophobicContact CD1-CD1 4.46Å; I6-F376 HydrophobicContact CD1-CG 4.4Å; I6-F376 HydrophobicContact CG2-CB 3.5Å; I6-F376 HydrophobicContact CG2-CD2 3.77Å; I6-F376 HydrophobicContact CG2-CG 3.71Å; H7-F376 AromaticContact CE1-CD2 3.58Å; H7-F376 AromaticContact CE1-CE2 3.69Å; H7-F376 AromaticContact ND1-CD2 3.79Å; H7-F376 AromaticContact ND1-CE2 3.55Å; H7-F376 AromaticContact NE2-CD2 3.93Å; Y10-F376 HydrophobicContact CD1-CE2 4.41Å; Y10-F376 AromaticContact CD1-CZ 3.96Å; Y10-F376 HydrophobicContact CD1-CZ 3.96Å; Y10-F376 AromaticContact CD2-CE1 3.98Å; Y10-F376 HydrophobicContact CD2-CE1 3.98Å; Y10-F376 AromaticContact CD2-CZ 3.5Å; Y10-F376 HydrophobicContact CD2-CZ 3.5Å; Y10-F376 VanDerWaalsContact CD2-CZ 3.5Å; Y10-F376 HydrophobicContact CE2-CZ 4.1Å; Y10-F376 HydrophobicContact CG-CE1 4.27Å; Y10-F376 HydrophobicContact CG-CE2 4.12Å; Y10-F376 AromaticContact CG-CZ 3.41Å; Y10-F376 HydrophobicContact CG-CZ 3.41Å; Y10-F376 VanDerWaalsContact CG-CZ 3.41Å; L64-F376 HydrophobicContact CD1-CD1 4.33Å; L64-F376 HydrophobicContact CD1-CE1 3.77Å; D372-F376 VanDerWaalsContact O-CB 3.29Å; D372-F376 WeakPolarHBondContact O-CB 3.44Å; D372-F376 PolarHBondContact O-N 3.31Å; L373-F376 WeakPolarHBondContact O-CB 3.41Å; L373-F376 PolarHBondContact O-N 3.29Å; F374-F376 VanDerWaalsContact C-N 3.34Å; F376-E379 PolarHBondContact O-N 3.4Å; F376-L380 HydrophobicContact CD1-CD1 4.09Å; F376-L380 HydrophobicContact CE1-CD1 3.3Å; F376-L380 HydrophobicContact CE1-CG 4.11Å; F376-L380 HydrophobicContact CE2-CD1 3.98Å; F376-L380 HydrophobicContact CE2-CG 3.91Å; F376-L380 HydrophobicContact CZ-CD1 3.23Å; F376-L380 HydrophobicContact CZ-CD2 4.34Å; F376-L380 HydrophobicContact CZ-CG 3.69Å; F376-L380 WeakPolarHBondContact O-CB 3.35Å; F376-L380 PolarHBondContact O-N 3.05Å
377L94.9Very high84.8Confident5 Ų540.4 Ų40.43%0.02622%0.215CC..Hα-helixtrans-64-41.4174.2-70.2177.5000112.1L61 L260 L263 L373 F374 T375 E379 L380 L381L61-L377 HydrophobicContact CD1-CD1 4.12Å; L61-L377 HydrophobicContact CD1-CD2 3.92Å; L61-L377 HydrophobicContact CD1-CG 4.35Å; L61-L377 HydrophobicContact CD2-CD1 4.07Å; L61-L377 HydrophobicContact CD2-CD2 3.9Å; L260-L377 HydrophobicContact CD2-CD1 3.83Å; L263-L377 HydrophobicContact CD1-CB 4.15Å; L263-L377 HydrophobicContact CD1-CD1 4.28Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.92Å; F374-L377 WeakPolarHBondContact O-CB 3.3Å; F374-L377 PolarHBondContact O-N 3.46Å; T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 3.4Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-L380 PolarHBondContact O-N 3.26Å; L377-L381 VanDerWaalsContact O-CG 3.31Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.07Å
378V95.4Very high84.6Confident2 Ų240.9 Ų40.91%0.01222%0.215CC..Hα-helixtrans-58.2-48.2172.1173.50000109.9L263 K350 I353 M354 I357 F374 T375 L380 L381 F382L263-V378 HydrophobicContact CD2-CG2 3.78Å; K350-V378 HydrophobicContact CG-CG1 3.97Å; I353-V378 HydrophobicContact CG2-CG2 3.63Å; M354-V378 HydrophobicContact CG-CG1 4.4Å; M354-V378 HydrophobicContact SD-CB 4.19Å; M354-V378 HydrophobicContact SD-CG1 4.02Å; M354-V378 HydrophobicContact SD-CG2 4.06Å; I357-V378 HydrophobicContact CD1-CG2 3.78Å; F374-V378 WeakPolarHBondContact O-CG2 3.33Å; F374-V378 PolarHBondContact O-N 3.03Å; T375-V378 WeakPolarHBondContact O-CB 3.31Å; T375-V378 PolarHBondContact O-N 2.94Å; V378-L380 PolarHBondContact O-N 3.19Å; V378-L381 PolarHBondContact O-N 2.83Å; V378-F382 HydrophobicContact CG1-CD2 3.76Å; V378-F382 HydrophobicContact CG1-CE2 4.03Å; V378-F382 WeakPolarHBondContact O-CB 3.28Å; V378-F382 WeakPolarHBondContact O-CD2 3.47Å; V378-F382 PolarHBondContact O-N 3.11Å
379E92.7Very high84.3Confident58 Ų5840 Ų4027%0.27121%0.213SC..Hα-helixtrans-61.2-43.1179-70.6173.1-176.600112.3T3 H7 T375 F376 L377 L381 Q383T3-E379 WeakPolarHBondContact CG2-OE2 3.32Å; H7-E379 IonicContact CD2-OE2 2.93Å; H7-E379 IonicContact CE1-OE2 2.96Å; H7-E379 IonicContact NE2-OE2 3.81Å; H7-E379 PolarHBondContact NE2-OE2 2.94Å; T375-E379 WeakPolarHBondContact O-CG 3.44Å; T375-E379 PolarHBondContact O-N 3.16Å; F376-E379 PolarHBondContact O-N 3.4Å; L377-E379 VanDerWaalsContact C-N 3.34Å; E379-L381 VanDerWaalsContact C-N 3.34Å; E379-L381 PolarHBondContact O-N 2.66Å; E379-Q383 WeakPolarHBondContact O-CB 3.37Å; E379-Q383 WeakPolarHBondContact O-CG 3.16Å; E379-Q383 PolarHBondContact O-N 3.45Å
380L89.9Confident83.8Confident42 Ų4240.6 Ų40.622%0.2222%0.217CC..Hα-helixtrans-61.6-37.8176.7-91.5179.2000113.7I57 F376 L377 V378I57-L380 HydrophobicContact CG2-CD1 4.46Å; F376-L380 HydrophobicContact CD1-CD1 4.09Å; F376-L380 HydrophobicContact CE1-CD1 3.3Å; F376-L380 HydrophobicContact CE1-CG 4.11Å; F376-L380 HydrophobicContact CE2-CD1 3.98Å; F376-L380 HydrophobicContact CE2-CG 3.91Å; F376-L380 HydrophobicContact CZ-CD1 3.23Å; F376-L380 HydrophobicContact CZ-CD2 4.34Å; F376-L380 HydrophobicContact CZ-CG 3.69Å; F376-L380 WeakPolarHBondContact O-CB 3.35Å; F376-L380 PolarHBondContact O-N 3.05Å; L377-L380 PolarHBondContact O-N 3.26Å; V378-L380 PolarHBondContact O-N 3.19Å
381L90.4Very high83.1Confident13 Ų1343.2 Ų43.27%0.06823%0.23CC..Hα-helixtrans-78.5-41.7-177.2-70.5-176.9000112.3F234 L263 Y266 F267 Q270 L377 V378 E379F234-L381 HydrophobicContact CE1-CD1 3.71Å; F234-L381 HydrophobicContact CE1-CD2 4.25Å; F234-L381 HydrophobicContact CE1-CG 4.39Å; F234-L381 HydrophobicContact CZ-CD1 3.83Å; F234-L381 HydrophobicContact CZ-CD2 4.12Å; L263-L381 HydrophobicContact CB-CD1 4.28Å; L263-L381 HydrophobicContact CD2-CD1 3.74Å; Y266-L381 HydrophobicContact CD1-CB 4.42Å; Y266-L381 HydrophobicContact CD1-CD1 4.33Å; Y266-L381 HydrophobicContact CE1-CB 4.03Å; F267-L381 HydrophobicContact CD2-CD2 3.72Å; F267-L381 HydrophobicContact CE2-CD2 4.31Å; Q270-L381 PolarHBondContact NE2-O 3.47Å; Q270-L381 VanDerWaalsContact NE2-O 3.11Å; L377-L381 VanDerWaalsContact O-CG 3.31Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.07Å; V378-L381 PolarHBondContact O-N 2.83Å; E379-L381 VanDerWaalsContact C-N 3.34Å; E379-L381 PolarHBondContact O-N 2.66Å
382F85.8Confident82.3Confident29 Ų2940.2 Ų40.213%0.12722%0.223CC..Hα-helixtrans-90.8-1.6-174.4-70.3-100.1000113.5Y266 E346 K350 V378Y266-F382 HydrophobicContact CD1-CD2 4.14Å; Y266-F382 HydrophobicContact CD1-CE1 4.1Å; Y266-F382 AromaticContact CD1-CE2 3.44Å; Y266-F382 HydrophobicContact CD1-CE2 3.44Å; Y266-F382 VanDerWaalsContact CD1-CE2 3.44Å; Y266-F382 AromaticContact CD1-CZ 3.42Å; Y266-F382 HydrophobicContact CD1-CZ 3.42Å; Y266-F382 VanDerWaalsContact CD1-CZ 3.42Å; Y266-F382 AromaticContact CD2-CE1 4Å; Y266-F382 HydrophobicContact CD2-CE1 4Å; Y266-F382 AromaticContact CD2-CZ 3.82Å; Y266-F382 HydrophobicContact CD2-CZ 3.82Å; Y266-F382 AromaticContact CE1-CD1 3.92Å; Y266-F382 HydrophobicContact CE1-CD1 3.92Å; Y266-F382 AromaticContact CE1-CD2 3.63Å; Y266-F382 HydrophobicContact CE1-CD2 3.63Å; Y266-F382 AromaticContact CE1-CE1 3.65Å; Y266-F382 HydrophobicContact CE1-CE1 3.65Å; Y266-F382 AromaticContact CE1-CE2 3.38Å; Y266-F382 HydrophobicContact CE1-CE2 3.38Å; Y266-F382 AromaticContact CE1-CG 3.94Å; Y266-F382 HydrophobicContact CE1-CG 3.94Å; Y266-F382 AromaticContact CE1-CZ 3.4Å; Y266-F382 HydrophobicContact CE1-CZ 3.4Å; Y266-F382 HydrophobicContact CE2-CD1 4.21Å; Y266-F382 AromaticContact CE2-CE1 3.56Å; Y266-F382 HydrophobicContact CE2-CE1 3.56Å; Y266-F382 AromaticContact CE2-CZ 3.82Å; Y266-F382 HydrophobicContact CE2-CZ 3.82Å; Y266-F382 HydrophobicContact CG-CE1 4.24Å; Y266-F382 HydrophobicContact CG-CE2 4.09Å; Y266-F382 AromaticContact CG-CZ 3.62Å; Y266-F382 HydrophobicContact CG-CZ 3.62Å; Y266-F382 AromaticContact CZ-CD1 3.6Å; Y266-F382 AromaticContact CZ-CE1 3.35Å; Y266-F382 AromaticContact CZ-CZ 3.6Å; Y266-F382 WeakPolarHBondContact OH-CD1 3.46Å; E346-F382 HydrophobicContact CG-CD1 3.62Å; E346-F382 HydrophobicContact CG-CE1 3.54Å; E346-F382 WeakPolarHBondContact O-CE1 3.36Å; K350-F382 HydrophobicContact CB-CD1 3.98Å; K350-F382 HydrophobicContact CB-CE1 3.47Å; K350-F382 VanDerWaalsContact CB-CE1 3.47Å; K350-F382 HydrophobicContact CB-CE2 4.43Å; K350-F382 HydrophobicContact CB-CZ 3.72Å; K350-F382 HydrophobicContact CD-CB 4.37Å; K350-F382 HydrophobicContact CD-CD1 3.79Å; K350-F382 HydrophobicContact CD-CE1 4.18Å; K350-F382 HydrophobicContact CD-CG 4.04Å; K350-F382 HydrophobicContact CG-CD1 4.03Å; K350-F382 HydrophobicContact CG-CD2 4.45Å; K350-F382 HydrophobicContact CG-CE1 3.96Å; K350-F382 HydrophobicContact CG-CE2 4.37Å; K350-F382 HydrophobicContact CG-CG 4.26Å; K350-F382 HydrophobicContact CG-CZ 4.12Å; V378-F382 HydrophobicContact CG1-CD2 3.76Å; V378-F382 HydrophobicContact CG1-CE2 4.03Å; V378-F382 WeakPolarHBondContact O-CB 3.28Å; V378-F382 WeakPolarHBondContact O-CD2 3.47Å; V378-F382 PolarHBondContact O-N 3.11Å
383Q72.8Confident81.5Confident134 Ų13441.1 Ų41.163%0.62623%0.229SC*.THydrogen-bonded Turntrans-912.3169.9-77.2177.79.900113.4E379 A385E379-Q383 WeakPolarHBondContact O-CB 3.37Å; E379-Q383 WeakPolarHBondContact O-CG 3.16Å; E379-Q383 PolarHBondContact O-N 3.45Å; Q383-A385 VanDerWaalsContact C-N 3.33Å; Q383-A385 PolarHBondContact O-N 3.48Å
384R55.8Low80.4Confident82 Ų8244.3 Ų44.331%0.30925%0.247SC..  trans-67.895.3174.6-72.6-175.9-179.9-169.7-2.2108.6C386R384-C386 PolarHBondContact O-N 2.94Å
385A43.8Very low79Confident90 Ų9048 Ų4874%0.74427%0.267SS*.  trans-55.5125.7160.400000107.5Q383Q383-A385 VanDerWaalsContact C-N 3.33Å; Q383-A385 PolarHBondContact O-N 3.48Å
386C37Very low77.5Confident100 Ų10050.6 Ų50.668%0.67628%0.281SS*.  trans-63.70165.6-67.10000109.4I282 R384I282-C386 WeakPolarHBondContact CD1-OXT 3.25Å; R384-C386 PolarHBondContact O-N 2.94Å

Retrieved 386 of 386 residues in 1189.1 ms (Link to these results)

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