A0A096MDF9_POEFO Loading...

Inactive ADP-ribosyltransferase ARH2

Required for myofibril assembly and outgrowth of the cardiac chambers in the developing heart. Appears to be catalytically inactive, showing no activity against O-acetyl-ADP-ribose.

AlphaFold DB , UniProt , Accession A0A096MDF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 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
1M95.9Very high98.4Very high77 Ų7731.2 Ų31.238%0.37914%0.144SC..  0-71.80-161.8174.174.200112.4K3 F4 K5 E344 Y347M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 2.84Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-F4 WeakPolarHBondContact O-CA 3.38Å; M1-F4 WeakPolarHBondContact O-CB 3.45Å; M1-F4 PolarHBondContact O-N 2.71Å; M1-K5 PolarHBondContact O-N 2.93Å; M1-E344 HydrophobicContact CG-CG 4.1Å; M1-E344 HydrophobicContact SD-CG 3.88Å; M1-Y347 HydrophobicContact CB-CD1 3.65Å; M1-Y347 HydrophobicContact CB-CE1 3.84Å; M1-Y347 HydrophobicContact CB-CG 4.05Å; M1-Y347 HydrophobicContact CG-CD1 4.03Å; M1-Y347 HydrophobicContact CG-CG 4.5Å
2E97.9Very high98.4Very high119 Ų11928.6 Ų28.656%0.55613%0.132SC*.Hα-helixtrans-52.4-41.5-173.7-64.2-50118.400115.3F4 K5 A6E2-F4 VanDerWaalsContact C-N 3.28Å; E2-F4 PolarHBondContact O-N 3.25Å; E2-K5 PolarHBondContact O-N 3.45Å; E2-A6 WeakPolarHBondContact O-CB 3.49Å; E2-A6 PolarHBondContact O-N 3.03Å
3K98.3Very high98.4Very high103 Ų10326.4 Ų26.445%0.44812%0.121SC..Hα-helixtrans-64.2-29.8176-74.6176156.1-149.10113.8M1 A7 L318 M319M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 2.84Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-A7 WeakPolarHBondContact O-CB 3.44Å; K3-A7 PolarHBondContact O-N 3.04Å; K3-L318 VanDerWaalsContact CD-O 3.25Å; K3-L318 WeakPolarHBondContact CD-O 3.3Å; K3-L318 WeakPolarHBondContact CE-O 3.45Å; K3-L318 PolarHBondContact NZ-O 3.24Å; K3-M319 WeakPolarHBondContact CE-O 3.43Å; K3-M319 PolarHBondContact NZ-O 2.67Å
4F98.8Very high98.4Very high9 Ų924.5 Ų24.54%0.03911%0.113CC..Hα-helixtrans-74.2-41.6176.2-79-134.4000110.7M1 E2 A6 A7 M8 M141 I184 L318 G343 L346 Y347M1-F4 WeakPolarHBondContact O-CA 3.38Å; M1-F4 WeakPolarHBondContact O-CB 3.45Å; M1-F4 PolarHBondContact O-N 2.71Å; E2-F4 VanDerWaalsContact C-N 3.28Å; E2-F4 PolarHBondContact O-N 3.25Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A7 WeakPolarHBondContact O-CB 3.3Å; F4-A7 PolarHBondContact O-N 3.38Å; F4-M8 PolarHBondContact O-N 3.17Å; F4-M141 HydrophobicContact CB-CE 3.68Å; F4-M141 HydrophobicContact CD1-CB 4.11Å; F4-M141 HydrophobicContact CD1-CE 3.53Å; F4-M141 HydrophobicContact CE1-CB 3.77Å; F4-M141 HydrophobicContact CE1-CE 4.33Å; F4-M141 VanDerWaalsContact CE1-O 3.27Å; F4-M141 WeakPolarHBondContact CE1-O 3.48Å; F4-M141 HydrophobicContact CG-CE 3.72Å; F4-M141 HydrophobicContact CZ-CB 4.36Å; F4-M141 WeakPolarHBondContact CZ-O 3.46Å; F4-I184 HydrophobicContact CE1-CD1 4.48Å; F4-I184 HydrophobicContact CE2-CD1 3.71Å; F4-I184 HydrophobicContact CE2-CG1 3.92Å; F4-I184 HydrophobicContact CE2-CG2 4.15Å; F4-I184 HydrophobicContact CZ-CD1 3.63Å; F4-I184 HydrophobicContact CZ-CG1 4.33Å; F4-I184 HydrophobicContact CZ-CG2 4.47Å; F4-L318 HydrophobicContact CD2-CD2 4.29Å; F4-G343 WeakPolarHBondContact CB-O 3.39Å; F4-L346 HydrophobicContact CD1-CB 4.03Å; F4-L346 HydrophobicContact CE1-CB 4.44Å; F4-Y347 HydrophobicContact CD2-CD2 4.2Å; F4-Y347 HydrophobicContact CE1-CD2 4.45Å; F4-Y347 HydrophobicContact CE2-CD2 4.13Å; F4-Y347 HydrophobicContact CG-CD2 4.41Å; F4-Y347 HydrophobicContact CZ-CD2 4.26Å
5K98.8Very high98.4Very high33 Ų3322.9 Ų22.914%0.14311%0.105CC..Hα-helixtrans-58.1-49.1171.2-62.4-171.9168.7-178.50110.6M1 E2 A7 M8 V9 E340 E344M1-K5 PolarHBondContact O-N 2.93Å; E2-K5 PolarHBondContact O-N 3.45Å; K5-A7 VanDerWaalsContact C-N 3.29Å; K5-A7 PolarHBondContact O-N 2.99Å; K5-M8 PolarHBondContact O-N 2.73Å; K5-V9 WeakPolarHBondContact O-CG2 3.25Å; K5-V9 PolarHBondContact O-N 2.75Å; K5-E340 HydrophobicContact CB-CG 4.45Å; K5-E340 HydrophobicContact CD-CB 4.35Å; K5-E340 WeakPolarHBondContact CG-O 3.34Å; K5-E344 WeakPolarHBondContact CE-OE2 3.5Å; K5-E344 IonicContact NZ-OE2 3.19Å; K5-E344 PolarHBondContact NZ-OE2 2.62Å
6A98.8Very high98.3Very high1 Ų121.4 Ų21.41%0.00810%0.099CC..Hα-helixtrans-57.8-40.217700000112.4E2 F4 V9 L10 L322E2-A6 WeakPolarHBondContact O-CB 3.49Å; E2-A6 PolarHBondContact O-N 3.03Å; F4-A6 VanDerWaalsContact C-N 3.34Å; A6-V9 PolarHBondContact O-N 2.99Å; A6-L10 VanDerWaalsContact O-CB 3.23Å; A6-L10 WeakPolarHBondContact O-CB 3.48Å; A6-L10 VanDerWaalsContact O-CG 3.29Å; A6-L10 WeakPolarHBondContact O-CG 3.05Å; A6-L10 PolarHBondContact O-N 3.34Å; A6-L322 HydrophobicContact CB-CD2 4.2Å; A6-L322 HydrophobicContact CB-CG 3.76Å
7A98.8Very high98.3Very high0 Ų020.2 Ų20.20%09%0.093CC..Hα-helixtrans-62-48.6178.200000112.6K3 F4 K5 G11 M141 C314 L318K3-A7 WeakPolarHBondContact O-CB 3.44Å; K3-A7 PolarHBondContact O-N 3.04Å; F4-A7 WeakPolarHBondContact O-CB 3.3Å; F4-A7 PolarHBondContact O-N 3.38Å; K5-A7 VanDerWaalsContact C-N 3.29Å; K5-A7 PolarHBondContact O-N 2.99Å; A7-G11 PolarHBondContact O-N 3.29Å; A7-M141 HydrophobicContact CB-CE 4.13Å; A7-M141 HydrophobicContact CB-SD 4.24Å; A7-C314 WeakPolarHBondContact CB-O 3.44Å; A7-C314 WeakPolarHBondContact O-CA 3.5Å; A7-L318 HydrophobicContact CB-CD1 4.41Å; A7-L318 HydrophobicContact CB-CD2 3.45Å; A7-L318 VanDerWaalsContact CB-CD2 3.45Å; A7-L318 HydrophobicContact CB-CG 3.51Å
8M98.9Very high98.1Very high1 Ų119.1 Ų19.11%0.0059%0.088CC..Hα-helixtrans-63-45.3178.1-62.7-56.3-65.400111.2F4 K5 A12 H62 A66 M141 L339 L342 L346F4-M8 PolarHBondContact O-N 3.17Å; K5-M8 PolarHBondContact O-N 2.73Å; M8-A12 PolarHBondContact O-N 3.48Å; M8-H62 VanDerWaalsContact SD-CE1 3.57Å; M8-A66 HydrophobicContact CE-CB 3.91Å; M8-M141 HydrophobicContact CG-CE 4.23Å; M8-M141 HydrophobicContact SD-CE 4.17Å; M8-M141 HydrophobicContact SD-SD 4.12Å; M8-L339 HydrophobicContact CB-CB 4.06Å; M8-L339 HydrophobicContact CB-CD2 4.16Å; M8-L339 VanDerWaalsContact CB-O 3.27Å; M8-L339 WeakPolarHBondContact CB-O 3.46Å; M8-L339 HydrophobicContact CE-CD2 4.25Å; M8-L342 HydrophobicContact CE-CB 4.29Å; M8-L342 HydrophobicContact CE-CD1 4.43Å; M8-L346 HydrophobicContact SD-CD1 4.1Å
9V98.8Very high97.8Very high0 Ų020.4 Ų20.40%09%0.092CC..Hα-helixtrans-65.8-50.3179.3173.50000111.6K5 A6 G11 A12 V13 L322 H330 L333 R336 L339 E340K5-V9 WeakPolarHBondContact O-CG2 3.25Å; K5-V9 PolarHBondContact O-N 2.75Å; A6-V9 PolarHBondContact O-N 2.99Å; V9-G11 VanDerWaalsContact C-N 3.34Å; V9-G11 PolarHBondContact O-N 2.92Å; V9-A12 CarbonylContact O-C 3.54Å; V9-A12 WeakPolarHBondContact O-CB 3.42Å; V9-A12 PolarHBondContact O-N 3.31Å; V9-A12 VanDerWaalsContact O-N 3.13Å; V9-V13 HydrophobicContact CG1-CG2 4.37Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 2.87Å; V9-L322 HydrophobicContact CG1-CD2 4.24Å; V9-H330 HydrophobicContact CG1-CB 3.78Å; V9-L333 HydrophobicContact CG1-CD2 4.25Å; V9-R336 HydrophobicContact CG2-CG 4.3Å; V9-L339 HydrophobicContact CG2-CB 4.11Å; V9-E340 HydrophobicContact CG2-CG 3.62Å
10L98.8Very high97.6Very high0 Ų020.1 Ų20.10%09%0.09CC..Hα-helixtrans-73.1-26.5-176.1-66.3-173.1000113.3A6 V13 G14 W291 G313 Y316 L322 V325A6-L10 VanDerWaalsContact O-CB 3.23Å; A6-L10 WeakPolarHBondContact O-CB 3.48Å; A6-L10 VanDerWaalsContact O-CG 3.29Å; A6-L10 WeakPolarHBondContact O-CG 3.05Å; A6-L10 PolarHBondContact O-N 3.34Å; L10-V13 HydrophobicContact CD2-CB 4.47Å; L10-V13 HydrophobicContact CD2-CG2 4.22Å; L10-V13 PolarHBondContact O-N 2.95Å; L10-G14 PolarHBondContact O-N 3.46Å; L10-W291 HydrophobicContact CB-CH2 4.16Å; L10-W291 HydrophobicContact CB-CZ3 4.17Å; L10-W291 HydrophobicContact CD1-CE3 4.47Å; L10-W291 HydrophobicContact CD1-CZ3 3.99Å; L10-W291 HydrophobicContact CD2-CH2 3.98Å; L10-W291 HydrophobicContact CD2-CZ2 4.45Å; L10-W291 HydrophobicContact CD2-CZ3 4.21Å; L10-W291 HydrophobicContact CG-CH2 4.45Å; L10-W291 HydrophobicContact CG-CZ3 4.36Å; L10-G313 VanDerWaalsContact CB-O 3.28Å; L10-G313 WeakPolarHBondContact CB-O 2.73Å; L10-G313 WeakPolarHBondContact O-CA 3.21Å; L10-Y316 HydrophobicContact CD1-CD1 3.95Å; L10-L322 HydrophobicContact CD1-CD2 4.09Å; L10-L322 HydrophobicContact CD2-CD2 3.55Å; L10-L322 HydrophobicContact CG-CD2 3.62Å; L10-V325 HydrophobicContact CD1-CG2 3.7Å; L10-V325 HydrophobicContact CD2-CB 4.16Å; L10-V325 HydrophobicContact CD2-CG1 3.86Å; L10-V325 HydrophobicContact CD2-CG2 3.86Å; L10-V325 HydrophobicContact CG-CG2 4.46Å
11G98.8Very high97.2Very high0 Ų022.9 Ų22.90%010%0.102CC..Hα-helixtrans-58.5-50.516500000110.8A7 V9 V13 G14 D15 L310A7-G11 PolarHBondContact O-N 3.29Å; V9-G11 VanDerWaalsContact C-N 3.34Å; V9-G11 PolarHBondContact O-N 2.92Å; G11-V13 VanDerWaalsContact C-N 3.35Å; G11-V13 PolarHBondContact O-N 2.75Å; G11-G14 PolarHBondContact O-N 2.78Å; G11-D15 PolarHBondContact O-N 3.43Å; G11-L310 VanDerWaalsContact C-CD1 3.4Å; G11-L310 WeakPolarHBondContact CA-O 3.48Å; G11-L310 WeakPolarHBondContact O-CA 3.39Å; G11-L310 WeakPolarHBondContact O-CD1 3.4Å
12A98.7Very high96.8Very high0 Ų020.1 Ų20.10%09%0.093CC..Hα-helixtrans-64.5-34.3177.300000113.8M8 V9 A16 L55 V59 L333 L339M8-A12 PolarHBondContact O-N 3.48Å; V9-A12 CarbonylContact O-C 3.54Å; V9-A12 WeakPolarHBondContact O-CB 3.42Å; V9-A12 PolarHBondContact O-N 3.31Å; V9-A12 VanDerWaalsContact O-N 3.13Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.24Å; A12-L55 HydrophobicContact CB-CD2 3.74Å; A12-L55 WeakPolarHBondContact O-CD2 3.23Å; A12-V59 HydrophobicContact CB-CG1 3.97Å; A12-V59 HydrophobicContact CB-CG2 4.32Å; A12-L333 HydrophobicContact CB-CD2 3.8Å; A12-L339 HydrophobicContact CB-CD1 3.37Å; A12-L339 HydrophobicContact CB-CD2 4.29Å; A12-L339 HydrophobicContact CB-CG 4.48Å
13V98.6Very high96.4Very high0 Ų021.1 Ų21.10%09%0.092CC..Hα-helixtrans-63.3-47.1171174.60000110.8V9 L10 G11 D15 A16 L17 L48 W291 L329 H330 L333V9-V13 HydrophobicContact CG1-CG2 4.37Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 2.87Å; L10-V13 HydrophobicContact CD2-CB 4.47Å; L10-V13 HydrophobicContact CD2-CG2 4.22Å; L10-V13 PolarHBondContact O-N 2.95Å; G11-V13 VanDerWaalsContact C-N 3.35Å; G11-V13 PolarHBondContact O-N 2.75Å; V13-D15 VanDerWaalsContact C-N 3.34Å; V13-D15 PolarHBondContact O-N 3.05Å; V13-A16 PolarHBondContact O-N 3.02Å; V13-L17 HydrophobicContact CG1-CD1 3.88Å; V13-L17 HydrophobicContact CG1-CG 4.36Å; V13-L17 WeakPolarHBondContact O-CB 3.4Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.41Å; V13-L17 PolarHBondContact O-N 2.81Å; V13-L48 HydrophobicContact CB-CD1 4.39Å; V13-L48 HydrophobicContact CG1-CD1 3.73Å; V13-W291 HydrophobicContact CB-CH2 4.43Å; V13-W291 HydrophobicContact CB-CZ2 4.36Å; V13-W291 HydrophobicContact CG1-CH2 4.09Å; V13-W291 HydrophobicContact CG1-CZ2 3.56Å; V13-L329 HydrophobicContact CG1-CB 4.15Å; V13-H330 HydrophobicContact CG2-CB 3.76Å; V13-L333 HydrophobicContact CG2-CD1 4.35Å; V13-L333 HydrophobicContact CG2-CD2 3.77Å
14G98.4Very high96Very high0 Ų016.4 Ų16.40%07%0.071CC..Hα-helixtrans-61.2-43.2179.600000112.3L10 G11 G18L10-G14 PolarHBondContact O-N 3.46Å; G11-G14 PolarHBondContact O-N 2.78Å; G14-G18 PolarHBondContact O-N 3.22Å
15D97.7Very high95.1Very high0 Ų019.7 Ų19.70%09%0.087CC..Hα-helixtrans-57.9-55.2172175.280.9000112.4G11 V13 L17 G18 Y19 L55 S56 V59 L310G11-D15 PolarHBondContact O-N 3.43Å; V13-D15 VanDerWaalsContact C-N 3.34Å; V13-D15 PolarHBondContact O-N 3.05Å; D15-L17 VanDerWaalsContact C-N 3.27Å; D15-L17 PolarHBondContact O-N 3.17Å; D15-G18 PolarHBondContact O-N 3.12Å; D15-G18 VanDerWaalsContact O-N 3.13Å; D15-Y19 WeakPolarHBondContact O-CB 3.35Å; D15-Y19 PolarHBondContact O-N 2.54Å; D15-L55 WeakPolarHBondContact OD2-CA 3.36Å; D15-S56 VanDerWaalsContact OD1-CB 3.26Å; D15-S56 WeakPolarHBondContact OD1-CB 3.41Å; D15-S56 PolarHBondContact OD1-OG 2.77Å; D15-S56 PolarHBondContact OD2-N 2.79Å; D15-S56 PolarHBondContact OD2-OG 3.28Å; D15-V59 HydrophobicContact CB-CG2 3.2Å; D15-V59 WeakPolarHBondContact OD2-CG2 2.71Å; D15-L310 HydrophobicContact CB-CB 4.12Å; D15-L310 HydrophobicContact CB-CD1 4.48Å
16A97.2Very high94.2Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-57.9-42.9-17800000111.5A12 V13 R20 L48 W53 L55 L333A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.24Å; V13-A16 PolarHBondContact O-N 3.02Å; A16-R20 PolarHBondContact O-N 2.71Å; A16-L48 HydrophobicContact CB-CD1 4.19Å; A16-W53 HydrophobicContact CB-CB 4.39Å; A16-L55 HydrophobicContact CB-CD2 4.28Å; A16-L333 HydrophobicContact CB-CD1 4.26Å
17L97.3Very high93.8Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-61.7-47175.9-74.8174.8000112.2V13 D15 W24 L43 L46 L48 W53 W291 M299 F300V13-L17 HydrophobicContact CG1-CD1 3.88Å; V13-L17 HydrophobicContact CG1-CG 4.36Å; V13-L17 WeakPolarHBondContact O-CB 3.4Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.41Å; V13-L17 PolarHBondContact O-N 2.81Å; D15-L17 VanDerWaalsContact C-N 3.27Å; D15-L17 PolarHBondContact O-N 3.17Å; L17-W24 WeakPolarHBondContact O-CZ3 3.2Å; L17-L43 HydrophobicContact CD1-CD1 3.95Å; L17-L43 HydrophobicContact CD2-CD1 4.05Å; L17-L46 HydrophobicContact CD2-CD1 3.63Å; L17-L48 HydrophobicContact CD2-CD1 4.04Å; L17-L48 HydrophobicContact CD2-CD2 3.73Å; L17-L48 HydrophobicContact CD2-CG 4.48Å; L17-L48 HydrophobicContact CG-CD1 3.88Å; L17-L48 HydrophobicContact CG-CD2 4.44Å; L17-W53 HydrophobicContact CD2-CE3 4.47Å; L17-W53 HydrophobicContact CD2-CZ3 4.14Å; L17-W291 HydrophobicContact CD1-CZ2 4.38Å; L17-M299 HydrophobicContact CB-CB 4.25Å; L17-M299 HydrophobicContact CD1-SD 4.25Å; L17-F300 HydrophobicContact CB-CE1 4.02Å; L17-F300 HydrophobicContact CB-CZ 4.29Å; L17-F300 HydrophobicContact CD1-CZ 4.36Å; L17-F300 HydrophobicContact CD2-CE1 4.39Å; L17-F300 HydrophobicContact CD2-CZ 4.17Å
18G95.6Very high93.4Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-70.8-32.3179.400000113.8G14 D15 M299G14-G18 PolarHBondContact O-N 3.22Å; D15-G18 PolarHBondContact O-N 3.12Å; D15-G18 VanDerWaalsContact O-N 3.13Å; G18-M299 WeakPolarHBondContact CA-O 3.47Å
19Y93.1Very high93.3Very high44 Ų4430.5 Ų30.517%0.17316%0.162CC..Hα-helixtrans-80.2-51.7-175.6-178.4-126.1000112.8D15 K21 G22 P54D15-Y19 WeakPolarHBondContact O-CB 3.35Å; D15-Y19 PolarHBondContact O-N 2.54Å; Y19-K21 PolarHBondContact O-N 3.05Å; Y19-G22 VanDerWaalsContact CE2-CA 3.49Å; Y19-G22 VanDerWaalsContact CE2-N 3.29Å; Y19-G22 VanDerWaalsContact CZ-N 3.33Å; Y19-G22 WeakPolarHBondContact O-CA 3.45Å; Y19-G22 PolarHBondContact O-N 3.42Å; Y19-P54 WeakPolarHBondContact CD1-O 3.45Å; Y19-P54 HydrophobicContact CE1-CG 4.47Å
20R92.9Very high93.1Very high15 Ų1530.5 Ų30.56%0.05716%0.162CC..G310 helixtrans41.857.6-174.7-164.1178.3172.4-144.3-11.2113.4A16 G22 R23 W24 E36 W53A16-R20 PolarHBondContact O-N 2.71Å; R20-G22 PolarHBondContact O-N 3.29Å; R20-R23 WeakPolarHBondContact O-CB 3.44Å; R20-R23 WeakPolarHBondContact O-CG 3.32Å; R20-R23 PolarHBondContact O-N 3.17Å; R20-W24 HydrophobicContact CB-CD2 3.9Å; R20-W24 HydrophobicContact CB-CE3 3.79Å; R20-W24 HydrophobicContact CB-CG 4.25Å; R20-W24 HydrophobicContact CB-CZ3 4.32Å; R20-W24 VanDerWaalsContact CD-CZ2 3.48Å; R20-W24 HydrophobicContact CG-CD2 4.44Å; R20-E36 IonicContact CZ-OE1 2.78Å; R20-E36 IonicContact CZ-OE2 2.75Å; R20-E36 IonicContact NH1-OE1 3.5Å; R20-E36 PolarHBondContact NH1-OE1 3.29Å; R20-E36 IonicContact NH1-OE2 2.75Å; R20-E36 PolarHBondContact NH1-OE2 3.29Å; R20-E36 IonicContact NH2-OE1 2.65Å; R20-E36 PolarHBondContact NH2-OE1 2.97Å; R20-W53 HydrophobicContact CB-CE3 4.09Å; R20-W53 HydrophobicContact CB-CH2 4.4Å; R20-W53 HydrophobicContact CB-CZ3 3.73Å; R20-W53 HydrophobicContact CG-CD2 4.49Å; R20-W53 HydrophobicContact CG-CE3 3.93Å; R20-W53 HydrophobicContact CG-CH2 3.8Å; R20-W53 HydrophobicContact CG-CZ2 4.35Å; R20-W53 HydrophobicContact CG-CZ3 3.56Å
21K89.6Confident93Very high79 Ų7934.6 Ų34.634%0.34318%0.18SC..G310 helixtrans56.333.9-177.5-59.8173.9158.5176.90113.9Y19 R23 D51 N52 P54Y19-K21 PolarHBondContact O-N 3.05Å; K21-R23 PolarHBondContact O-N 2.82Å; K21-R23 VanDerWaalsContact O-N 3.17Å; K21-D51 WeakPolarHBondContact CE-O 3.31Å; K21-D51 PolarHBondContact NZ-O 3.23Å; K21-N52 WeakPolarHBondContact CD-O 3.19Å; K21-N52 VanDerWaalsContact CE-CA 3.41Å; K21-N52 WeakPolarHBondContact CE-O 3.36Å; K21-N52 WeakPolarHBondContact CG-O 3.35Å; K21-P54 HydrophobicContact CB-CG 4.43Å; K21-P54 HydrophobicContact CG-CG 3.56Å
22G87.9Confident92.9Very high18 Ų1840.9 Ų40.919%0.18621%0.207CC..G310 helixtrans70.44.1-176.400000114.7Y19 R20 W24Y19-G22 VanDerWaalsContact CE2-CA 3.49Å; Y19-G22 VanDerWaalsContact CE2-N 3.29Å; Y19-G22 VanDerWaalsContact CZ-N 3.33Å; Y19-G22 WeakPolarHBondContact O-CA 3.45Å; Y19-G22 PolarHBondContact O-N 3.42Å; R20-G22 PolarHBondContact O-N 3.29Å; G22-W24 VanDerWaalsContact C-N 3.29Å; G22-W24 PolarHBondContact O-N 2.86Å
23R88.8Confident92.8Very high141 Ų14141 Ų4153%0.53221%0.208SC..THydrogen-bonded Turntrans-66.2-35.5178.5-67.2-171.8-165-166.85.2111.8R20 K21R20-R23 WeakPolarHBondContact O-CB 3.44Å; R20-R23 WeakPolarHBondContact O-CG 3.32Å; R20-R23 PolarHBondContact O-N 3.17Å; K21-R23 PolarHBondContact O-N 2.82Å; K21-R23 VanDerWaalsContact O-N 3.17Å
24W89.6Confident92.7Very high3 Ų343.5 Ų43.51%0.01122%0.219CC..THydrogen-bonded Turntrans-92.7-23-176.7-71.3-14.7000113.6L17 R20 G22 S26 C27 I33 E36 L37 W53 F300L17-W24 WeakPolarHBondContact O-CZ3 3.2Å; R20-W24 HydrophobicContact CB-CD2 3.9Å; R20-W24 HydrophobicContact CB-CE3 3.79Å; R20-W24 HydrophobicContact CB-CG 4.25Å; R20-W24 HydrophobicContact CB-CZ3 4.32Å; R20-W24 VanDerWaalsContact CD-CZ2 3.48Å; R20-W24 HydrophobicContact CG-CD2 4.44Å; G22-W24 VanDerWaalsContact C-N 3.29Å; G22-W24 PolarHBondContact O-N 2.86Å; W24-S26 PolarHBondContact O-N 3.44Å; W24-C27 WeakPolarHBondContact O-CB 3.03Å; W24-C27 PolarHBondContact O-N 3.15Å; W24-I33 HydrophobicContact CB-CD1 4.18Å; W24-I33 HydrophobicContact CB-CG1 4.3Å; W24-I33 HydrophobicContact CD2-CG1 4.35Å; W24-I33 HydrophobicContact CD2-CG2 3.68Å; W24-I33 HydrophobicContact CE3-CG2 3.84Å; W24-I33 HydrophobicContact CG-CD1 4.37Å; W24-I33 HydrophobicContact CG-CG1 3.98Å; W24-I33 HydrophobicContact CG-CG2 4.21Å; W24-I33 HydrophobicContact CH2-CG2 4.13Å; W24-I33 HydrophobicContact CZ2-CG2 3.96Å; W24-I33 HydrophobicContact CZ3-CG2 4.07Å; W24-E36 PolarHBondContact NE1-OE2 2.99Å; W24-L37 HydrophobicContact CH2-CB 4.26Å; W24-L37 HydrophobicContact CH2-CD1 4.43Å; W24-L37 HydrophobicContact CZ2-CB 4.49Å; W24-W53 HydrophobicContact CH2-CH2 4.03Å; W24-W53 HydrophobicContact CH2-CZ3 4.4Å; W24-W53 HydrophobicContact CZ3-CH2 4.18Å; W24-W53 HydrophobicContact CZ3-CZ3 4.09Å; W24-F300 HydrophobicContact CE3-CD1 4.34Å; W24-F300 HydrophobicContact CH2-CD1 4.21Å; W24-F300 HydrophobicContact CH2-CE1 4.21Å; W24-F300 AromaticContact CZ3-CD1 3.63Å; W24-F300 HydrophobicContact CZ3-CD1 3.63Å; W24-F300 AromaticContact CZ3-CE1 3.64Å; W24-F300 HydrophobicContact CZ3-CE1 3.64Å
25E79.9Confident92.6Very high79 Ų7948.7 Ų48.737%0.36924%0.244SC..THydrogen-bonded Turntrans-52.8-39.4173.7-169.7-175.7167.100112.6
26S79.6Confident92.6Very high101 Ų10151.9 Ų51.971%0.70626%0.259SS*.THydrogen-bonded Turntrans-84-4.9177.365.70000114.7W24W24-S26 PolarHBondContact O-N 3.44Å
27C90.2Very high92.5Very high29 Ų2952.6 Ų52.620%0.19626%0.262CS..  trans-94.8104.5-175.1-166.10000111.6W24 S29 I33 G302W24-C27 WeakPolarHBondContact O-CB 3.03Å; W24-C27 PolarHBondContact O-N 3.15Å; C27-S29 PolarHBondContact O-N 3.47Å; C27-S29 VanDerWaalsContact O-N 3.09Å; C27-I33 HydrophobicContact CB-CD1 4.1Å; C27-I33 HydrophobicContact CB-CG1 4.02Å; C27-G302 WeakPolarHBondContact O-CA 3.12Å
28T92Very high92.5Very high100 Ų10055.9 Ų55.961%0.61329%0.29SS*.  trans-81.517.6-177.357.40000115.1G302T28-G302 WeakPolarHBondContact CA-O 3.36Å
29S95.4Very high92.5Very high31 Ų3160.3 Ų60.322%0.21732%0.321CS..  trans-133.8103.4-176.5-178.70000111.2C27 K31 K32 I33 D257C27-S29 PolarHBondContact O-N 3.47Å; C27-S29 VanDerWaalsContact O-N 3.09Å; S29-K31 PolarHBondContact O-N 3.3Å; S29-K32 PolarHBondContact O-N 3.44Å; S29-K32 VanDerWaalsContact O-N 3.08Å; S29-I33 PolarHBondContact O-N 3.08Å; S29-I33 VanDerWaalsContact O-N 3.15Å; S29-D257 WeakPolarHBondContact CA-OD2 3.48Å
30G95.7Very high92.6Very high0 Ų061.5 Ų61.50%033%0.33CS..Hα-helixtrans-56.3-34.2173.800000112.3K32 I33 Q34 D257G30-K32 PolarHBondContact O-N 2.86Å; G30-I33 PolarHBondContact O-N 3.24Å; G30-Q34 WeakPolarHBondContact O-CB 3.22Å; G30-Q34 WeakPolarHBondContact O-CG 3.44Å; G30-Q34 PolarHBondContact O-N 3.49Å; G30-D257 PolarHBondContact N-OD2 2.84Å
31K96.4Very high92.7Very high87 Ų8763 Ų6338%0.37835%0.35SS..Hα-helixtrans-58.9-48.4173.9-178.6173.3-177.2178.90112.5S29 I33 Q34 E35 A253 E254S29-K31 PolarHBondContact O-N 3.3Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 PolarHBondContact O-N 3.49Å; K31-Q34 PolarHBondContact O-N 2.82Å; K31-E35 VanDerWaalsContact CE-OE1 3.25Å; K31-E35 WeakPolarHBondContact CE-OE1 3.39Å; K31-E35 HydrophobicContact CG-CG 4.39Å; K31-E35 WeakPolarHBondContact CG-OE1 3.28Å; K31-E35 WeakPolarHBondContact O-CB 3.36Å; K31-E35 VanDerWaalsContact O-CG 3.3Å; K31-E35 WeakPolarHBondContact O-CG 3.5Å; K31-E35 PolarHBondContact O-N 3.16Å; K31-A253 HydrophobicContact CB-CB 4.22Å; K31-E254 HydrophobicContact CB-CG 4.24Å; K31-E254 HydrophobicContact CD-CG 3.96Å; K31-E254 WeakPolarHBondContact CD-OE1 3.47Å; K31-E254 WeakPolarHBondContact CE-OE1 3.48Å; K31-E254 IonicContact NZ-OE1 2.73Å; K31-E254 PolarHBondContact NZ-OE1 3.26Å
32K97Very high93Very high132 Ų13260.2 Ų60.257%0.57434%0.344SS*.Hα-helixtrans-63.8-40.2178-71.4-177178.4179.40111.7S29 G30 Q34 E35 E36S29-K32 PolarHBondContact O-N 3.44Å; S29-K32 VanDerWaalsContact O-N 3.08Å; G30-K32 PolarHBondContact O-N 2.86Å; K32-Q34 VanDerWaalsContact C-N 3.34Å; K32-E35 PolarHBondContact O-N 3.49Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 3.18Å
33I96.8Very high93.4Very high1 Ų160 Ų601%0.00534%0.338CS..Hα-helixtrans-59.1-47.5175.1-69.3168.1000110.3W24 C27 S29 G30 K31 E36 L37 F300 H301W24-I33 HydrophobicContact CB-CD1 4.18Å; W24-I33 HydrophobicContact CB-CG1 4.3Å; W24-I33 HydrophobicContact CD2-CG1 4.35Å; W24-I33 HydrophobicContact CD2-CG2 3.68Å; W24-I33 HydrophobicContact CE3-CG2 3.84Å; W24-I33 HydrophobicContact CG-CD1 4.37Å; W24-I33 HydrophobicContact CG-CG1 3.98Å; W24-I33 HydrophobicContact CG-CG2 4.21Å; W24-I33 HydrophobicContact CH2-CG2 4.13Å; W24-I33 HydrophobicContact CZ2-CG2 3.96Å; W24-I33 HydrophobicContact CZ3-CG2 4.07Å; C27-I33 HydrophobicContact CB-CD1 4.1Å; C27-I33 HydrophobicContact CB-CG1 4.02Å; S29-I33 PolarHBondContact O-N 3.08Å; S29-I33 VanDerWaalsContact O-N 3.15Å; G30-I33 PolarHBondContact O-N 3.24Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 PolarHBondContact O-N 3.49Å; I33-E36 PolarHBondContact O-N 3.33Å; I33-L37 WeakPolarHBondContact O-CB 3.33Å; I33-L37 PolarHBondContact O-N 2.96Å; I33-F300 HydrophobicContact CG2-CB 3.96Å; I33-F300 HydrophobicContact CG2-CD1 4.28Å; I33-H301 WeakPolarHBondContact CD1-O 3.38Å
34Q96Very high93.6Very high53 Ų5360 Ų6025%0.24834%0.344CS..Hα-helixtrans-71.5-33.8-179.3-69.3-17433.800113.2G30 K31 K32 L37 A38 K296 F300G30-Q34 WeakPolarHBondContact O-CB 3.22Å; G30-Q34 WeakPolarHBondContact O-CG 3.44Å; G30-Q34 PolarHBondContact O-N 3.49Å; K31-Q34 PolarHBondContact O-N 2.82Å; K32-Q34 VanDerWaalsContact C-N 3.34Å; Q34-L37 PolarHBondContact O-N 2.94Å; Q34-A38 WeakPolarHBondContact O-CB 3.43Å; Q34-A38 PolarHBondContact O-N 3.31Å; Q34-K296 PolarHBondContact NE2-O 3.17Å; Q34-F300 HydrophobicContact CG-CB 3.79Å; Q34-F300 PolarHBondContact NE2-O 3.4Å
35E96.8Very high93.8Very high110 Ų11063.7 Ų63.751%0.51437%0.37SS..Hα-helixtrans-63.1-42.8170.8-76170175.900111.1K31 K32 A38 S39K31-E35 VanDerWaalsContact CE-OE1 3.25Å; K31-E35 WeakPolarHBondContact CE-OE1 3.39Å; K31-E35 HydrophobicContact CG-CG 4.39Å; K31-E35 WeakPolarHBondContact CG-OE1 3.28Å; K31-E35 WeakPolarHBondContact O-CB 3.36Å; K31-E35 VanDerWaalsContact O-CG 3.3Å; K31-E35 WeakPolarHBondContact O-CG 3.5Å; K31-E35 PolarHBondContact O-N 3.16Å; K32-E35 PolarHBondContact O-N 3.49Å; E35-A38 WeakPolarHBondContact O-CB 3.1Å; E35-A38 PolarHBondContact O-N 2.8Å; E35-S39 PolarHBondContact O-N 2.88Å
36E96.3Very high94.6Very high66 Ų6660.3 Ų60.331%0.30836%0.355SS..Hα-helixtrans-67.6-40.8175.8-159.7-174.5166.500111.4R20 W24 K32 I33 A38 S39 L40R20-E36 IonicContact CZ-OE1 2.78Å; R20-E36 IonicContact CZ-OE2 2.75Å; R20-E36 IonicContact NH1-OE1 3.5Å; R20-E36 PolarHBondContact NH1-OE1 3.29Å; R20-E36 IonicContact NH1-OE2 2.75Å; R20-E36 PolarHBondContact NH1-OE2 3.29Å; R20-E36 IonicContact NH2-OE1 2.65Å; R20-E36 PolarHBondContact NH2-OE1 2.97Å; W24-E36 PolarHBondContact NE1-OE2 2.99Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 3.18Å; I33-E36 PolarHBondContact O-N 3.33Å; E36-A38 VanDerWaalsContact C-N 3.28Å; E36-A38 PolarHBondContact O-N 3.46Å; E36-S39 WeakPolarHBondContact O-CA 2.99Å; E36-S39 WeakPolarHBondContact O-CB 3.43Å; E36-S39 PolarHBondContact O-N 3.03Å; E36-S39 PolarHBondContact O-OG 2.79Å; E36-L40 WeakPolarHBondContact O-CG 3.4Å; E36-L40 PolarHBondContact O-N 2.8Å
37L96.5Very high95.3Very high15 Ų1560.3 Ų60.38%0.07934%0.342CS..Hα-helixtrans-57.2-42.4172.3175.565.4000111.5W24 I33 Q34 S39 L40 G42 L46 F300W24-L37 HydrophobicContact CH2-CB 4.26Å; W24-L37 HydrophobicContact CH2-CD1 4.43Å; W24-L37 HydrophobicContact CZ2-CB 4.49Å; I33-L37 WeakPolarHBondContact O-CB 3.33Å; I33-L37 PolarHBondContact O-N 2.96Å; Q34-L37 PolarHBondContact O-N 2.94Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-S39 PolarHBondContact O-N 3.21Å; L37-L40 WeakPolarHBondContact O-CB 3.33Å; L37-L40 PolarHBondContact O-N 3.06Å; L37-L40 VanDerWaalsContact O-N 3.17Å; L37-G42 WeakPolarHBondContact O-CA 3.38Å; L37-G42 PolarHBondContact O-N 2.78Å; L37-L46 HydrophobicContact CD1-CD1 3.7Å; L37-L46 HydrophobicContact CD1-CD2 4.36Å; L37-L46 HydrophobicContact CD1-CG 4.22Å; L37-F300 HydrophobicContact CD1-CZ 4.48Å; L37-F300 HydrophobicContact CD2-CD1 4.44Å; L37-F300 HydrophobicContact CD2-CD2 3.49Å; L37-F300 VanDerWaalsContact CD2-CD2 3.49Å; L37-F300 HydrophobicContact CD2-CE1 4.38Å; L37-F300 HydrophobicContact CD2-CE2 3.39Å; L37-F300 HydrophobicContact CD2-CG 4.07Å; L37-F300 HydrophobicContact CD2-CZ 3.89Å
38A96.6Very high95.6Very high70 Ų7059 Ų5958%0.57933%0.333SS*.Hα-helixtrans-62.7-39.6174.300000111.6Q34 E35 E36 L40 G41Q34-A38 WeakPolarHBondContact O-CB 3.43Å; Q34-A38 PolarHBondContact O-N 3.31Å; E35-A38 WeakPolarHBondContact O-CB 3.1Å; E35-A38 PolarHBondContact O-N 2.8Å; E36-A38 VanDerWaalsContact C-N 3.28Å; E36-A38 PolarHBondContact O-N 3.46Å; A38-L40 PolarHBondContact O-N 3.02Å; A38-G41 PolarHBondContact O-N 3.48Å
39S96.6Very high95.6Very high93 Ų9355.7 Ų55.765%0.6531%0.312SS*.Hα-helixtrans-63.5-25.617584.10000113.6E35 E36 L37 G41E35-S39 PolarHBondContact O-N 2.88Å; E36-S39 WeakPolarHBondContact O-CA 2.99Å; E36-S39 WeakPolarHBondContact O-CB 3.43Å; E36-S39 PolarHBondContact O-N 3.03Å; E36-S39 PolarHBondContact O-OG 2.79Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-S39 PolarHBondContact O-N 3.21Å; S39-G41 PolarHBondContact O-N 3.09Å
40L94.8Very high95.4Very high68 Ų6856.9 Ų56.936%0.35632%0.319SS..THydrogen-bonded Turntrans-81.83.4173.5-65.1174.6000113.7E36 L37 A38 L46 W53E36-L40 WeakPolarHBondContact O-CG 3.4Å; E36-L40 PolarHBondContact O-N 2.8Å; L37-L40 WeakPolarHBondContact O-CB 3.33Å; L37-L40 PolarHBondContact O-N 3.06Å; L37-L40 VanDerWaalsContact O-N 3.17Å; A38-L40 PolarHBondContact O-N 3.02Å; L40-L46 HydrophobicContact CB-CD2 3.99Å; L40-L46 HydrophobicContact CD1-CD2 4.18Å; L40-W53 HydrophobicContact CD1-CH2 4.45Å; L40-W53 HydrophobicContact CD1-CZ2 4.2Å
41G95Very high95.2Very high47 Ų4763.2 Ų63.249%0.48535%0.353SS..THydrogen-bonded Turntrans90.510.9-177.500000114.3A38 S39 S45A38-G41 PolarHBondContact O-N 3.48Å; S39-G41 PolarHBondContact O-N 3.09Å; G41-S45 VanDerWaalsContact O-CB 3.3Å; G41-S45 WeakPolarHBondContact O-CB 3.15Å; G41-S45 PolarHBondContact O-OG 3.25Å
42G95.9Very high94.9Very high21 Ų2162.8 Ų62.822%0.21636%0.355CS..  trans79172.9-179.300000113.9L37 E44 S45L37-G42 WeakPolarHBondContact O-CA 3.38Å; L37-G42 PolarHBondContact O-N 2.78Å; G42-E44 VanDerWaalsContact C-N 3.32Å; G42-E44 PolarHBondContact O-N 2.74Å; G42-S45 PolarHBondContact O-N 3.13Å; G42-S45 VanDerWaalsContact O-N 3.12Å
43L95.2Very high94.8Very high12 Ų1257.2 Ų57.26%0.06333%0.33CS..G310 helixtrans-54.5-44.3-175.4178.162000112.9L17 S45 L46 T292 C295 F300 L329L17-L43 HydrophobicContact CD1-CD1 3.95Å; L17-L43 HydrophobicContact CD2-CD1 4.05Å; L43-S45 PolarHBondContact O-N 2.92Å; L43-L46 HydrophobicContact CD1-CD1 4.32Å; L43-L46 WeakPolarHBondContact O-CB 3.4Å; L43-L46 PolarHBondContact O-N 2.85Å; L43-T292 HydrophobicContact CD2-CG2 4.28Å; L43-C295 HydrophobicContact CD2-CB 3.88Å; L43-F300 HydrophobicContact CD1-CE2 4.31Å; L43-F300 HydrophobicContact CD1-CZ 4.02Å; L43-L329 HydrophobicContact CD1-CD1 3.86Å; L43-L329 HydrophobicContact CD1-CD2 4.09Å; L43-L329 HydrophobicContact CG-CD1 4.13Å
44E92.4Very high94.6Very high142 Ų14258.4 Ų58.466%0.66434%0.338SS*.G310 helixtrans-66.3-21.3-176.6-64-177.4177.500113.3G42 N328G42-E44 VanDerWaalsContact C-N 3.32Å; G42-E44 PolarHBondContact O-N 2.74Å; E44-N328 PolarHBondContact O-ND2 2.97Å
45S94.6Very high94.5Very high80 Ų8055.9 Ų55.956%0.55933%0.326SS*.G310 helixtrans-87.7-10.7179.1-59.70000113.2G41 G42 L43G41-S45 VanDerWaalsContact O-CB 3.3Å; G41-S45 WeakPolarHBondContact O-CB 3.15Å; G41-S45 PolarHBondContact O-OG 3.25Å; G42-S45 PolarHBondContact O-N 3.13Å; G42-S45 VanDerWaalsContact O-N 3.12Å; L43-S45 PolarHBondContact O-N 2.92Å
46L95.9Very high94.3Very high8 Ų850.9 Ų50.94%0.04230%0.303CS..  trans-72.7146.7-176-61-172.7000112.1L17 L37 L40 L43 L48 W53 N328 L329L17-L46 HydrophobicContact CD2-CD1 3.63Å; L37-L46 HydrophobicContact CD1-CD1 3.7Å; L37-L46 HydrophobicContact CD1-CD2 4.36Å; L37-L46 HydrophobicContact CD1-CG 4.22Å; L40-L46 HydrophobicContact CB-CD2 3.99Å; L40-L46 HydrophobicContact CD1-CD2 4.18Å; L43-L46 HydrophobicContact CD1-CD1 4.32Å; L43-L46 WeakPolarHBondContact O-CB 3.4Å; L43-L46 PolarHBondContact O-N 2.85Å; L46-L48 HydrophobicContact CB-CD2 4.33Å; L46-W53 HydrophobicContact CD1-CH2 3.66Å; L46-W53 HydrophobicContact CD1-CZ2 3.74Å; L46-W53 HydrophobicContact CD1-CZ3 4.41Å; L46-W53 HydrophobicContact CD2-CH2 4.37Å; L46-W53 HydrophobicContact CD2-CZ2 3.75Å; L46-W53 HydrophobicContact CG-CZ2 4.27Å; L46-N328 PolarHBondContact O-ND2 2.66Å; L46-L329 HydrophobicContact CB-CD2 3.88Å
47K95.8Very high94.1Very high102 Ų10248.2 Ų48.244%0.44329%0.291SS..  trans-125.4114.8168.9-173-171.3-177.9-168.80107D49 D332K47-D49 VanDerWaalsContact C-N 3.28Å; K47-D49 PolarHBondContact O-N 2.92Å; K47-D332 WeakPolarHBondContact CE-OD2 3.4Å; K47-D332 IonicContact NZ-OD2 3.17Å; K47-D332 PolarHBondContact NZ-OD2 3.36Å
48L95.4Very high93.9Very high1 Ų147.9 Ų47.91%0.00529%0.29CS..  trans-85.273.5-175.7-54.1-167.5000110.5V13 A16 L17 L46 W53 L329 D332 L333V13-L48 HydrophobicContact CB-CD1 4.39Å; V13-L48 HydrophobicContact CG1-CD1 3.73Å; A16-L48 HydrophobicContact CB-CD1 4.19Å; L17-L48 HydrophobicContact CD2-CD1 4.04Å; L17-L48 HydrophobicContact CD2-CD2 3.73Å; L17-L48 HydrophobicContact CD2-CG 4.48Å; L17-L48 HydrophobicContact CG-CD1 3.88Å; L17-L48 HydrophobicContact CG-CD2 4.44Å; L46-L48 HydrophobicContact CB-CD2 4.33Å; L48-W53 HydrophobicContact CB-CB 4.01Å; L48-W53 HydrophobicContact CB-CG 4.36Å; L48-W53 HydrophobicContact CD2-CB 3.88Å; L48-W53 HydrophobicContact CD2-CD2 3.43Å; L48-W53 VanDerWaalsContact CD2-CD2 3.43Å; L48-W53 HydrophobicContact CD2-CE3 3.8Å; L48-W53 HydrophobicContact CD2-CG 3.46Å; L48-W53 VanDerWaalsContact CD2-CG 3.46Å; L48-W53 HydrophobicContact CD2-CZ3 4.49Å; L48-W53 HydrophobicContact CG-CB 4.47Å; L48-W53 HydrophobicContact CG-CG 4.48Å; L48-L329 WeakPolarHBondContact CB-O 3.43Å; L48-L329 WeakPolarHBondContact CD1-O 3.43Å; L48-L329 HydrophobicContact CG-CD2 4.3Å; L48-L329 WeakPolarHBondContact CG-O 3.49Å; L48-D332 CarbonylContact O-C 3.58Å; L48-L333 HydrophobicContact CB-CD1 4.06Å; L48-L333 HydrophobicContact CD1-CD1 4.28Å; L48-L333 WeakPolarHBondContact O-CA 3.49Å; L48-L333 PolarHBondContact O-N 3.03Å
49D92.4Very high93.8Very high31 Ų3144.6 Ų44.617%0.16626%0.263CS..  trans-83.3151.4172.562.786.3000111.8K47 D51 N52 W53K47-D49 VanDerWaalsContact C-N 3.28Å; K47-D49 PolarHBondContact O-N 2.92Å; D49-D51 PolarHBondContact O-N 2.67Å; D49-D51 WeakPolarHBondContact OD1-CA 3.34Å; D49-D51 PolarHBondContact OD1-N 2.93Å; D49-N52 PolarHBondContact O-N 3.25Å; D49-N52 WeakPolarHBondContact OD1-CB 3.46Å; D49-N52 PolarHBondContact OD1-N 3.03Å; D49-N52 PolarHBondContact OD1-ND2 3.01Å; D49-N52 PolarHBondContact OD2-ND2 3.42Å; D49-W53 CarbonylContact O-C 3.41Å; D49-W53 WeakPolarHBondContact O-CA 3.47Å; D49-W53 PolarHBondContact O-N 3Å
50P90.8Very high93.8Very high56 Ų5641.4 Ų41.436%0.36424%0.239SC..THydrogen-bonded Turntrans-60-33.8179.9-2031.2000112.5N52 D334P50-N52 PolarHBondContact O-N 3.45Å; P50-D334 HydrophobicContact CB-CB 3.96Å; P50-D334 HydrophobicContact CG-CB 3.87Å
51D91.1Very high93.8Very high132 Ų13238.3 Ų38.371%0.70622%0.222SC*.THydrogen-bonded Turntrans-33.7-64.4162.362.8-109.7000112.5K21 D49K21-D51 WeakPolarHBondContact CE-O 3.31Å; K21-D51 PolarHBondContact NZ-O 3.23Å; D49-D51 PolarHBondContact O-N 2.67Å; D49-D51 WeakPolarHBondContact OD1-CA 3.34Å; D49-D51 PolarHBondContact OD1-N 2.93Å
52N90.9Very high93.9Very high79 Ų7936.1 Ų36.142%0.42220%0.199SC..THydrogen-bonded Turntrans-110.6-23.5-164.1-67.3-65.8000114.7K21 D49 P50K21-N52 WeakPolarHBondContact CD-O 3.19Å; K21-N52 VanDerWaalsContact CE-CA 3.41Å; K21-N52 WeakPolarHBondContact CE-O 3.36Å; K21-N52 WeakPolarHBondContact CG-O 3.35Å; D49-N52 PolarHBondContact O-N 3.25Å; D49-N52 WeakPolarHBondContact OD1-CB 3.46Å; D49-N52 PolarHBondContact OD1-N 3.03Å; D49-N52 PolarHBondContact OD1-ND2 3.01Å; D49-N52 PolarHBondContact OD2-ND2 3.42Å; P50-N52 PolarHBondContact O-N 3.45Å
53W94.7Very high94.1Very high15 Ų1535.5 Ų35.56%0.05719%0.191CC..SBendtrans-135.860.4-174.1-58.989.9000110.3A16 L17 R20 W24 L40 L46 L48 D49A16-W53 HydrophobicContact CB-CB 4.39Å; L17-W53 HydrophobicContact CD2-CE3 4.47Å; L17-W53 HydrophobicContact CD2-CZ3 4.14Å; R20-W53 HydrophobicContact CB-CE3 4.09Å; R20-W53 HydrophobicContact CB-CH2 4.4Å; R20-W53 HydrophobicContact CB-CZ3 3.73Å; R20-W53 HydrophobicContact CG-CD2 4.49Å; R20-W53 HydrophobicContact CG-CE3 3.93Å; R20-W53 HydrophobicContact CG-CH2 3.8Å; R20-W53 HydrophobicContact CG-CZ2 4.35Å; R20-W53 HydrophobicContact CG-CZ3 3.56Å; W24-W53 HydrophobicContact CH2-CH2 4.03Å; W24-W53 HydrophobicContact CH2-CZ3 4.4Å; W24-W53 HydrophobicContact CZ3-CH2 4.18Å; W24-W53 HydrophobicContact CZ3-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CH2 4.45Å; L40-W53 HydrophobicContact CD1-CZ2 4.2Å; L46-W53 HydrophobicContact CD1-CH2 3.66Å; L46-W53 HydrophobicContact CD1-CZ2 3.74Å; L46-W53 HydrophobicContact CD1-CZ3 4.41Å; L46-W53 HydrophobicContact CD2-CH2 4.37Å; L46-W53 HydrophobicContact CD2-CZ2 3.75Å; L46-W53 HydrophobicContact CG-CZ2 4.27Å; L48-W53 HydrophobicContact CB-CB 4.01Å; L48-W53 HydrophobicContact CB-CG 4.36Å; L48-W53 HydrophobicContact CD2-CB 3.88Å; L48-W53 HydrophobicContact CD2-CD2 3.43Å; L48-W53 VanDerWaalsContact CD2-CD2 3.43Å; L48-W53 HydrophobicContact CD2-CE3 3.8Å; L48-W53 HydrophobicContact CD2-CG 3.46Å; L48-W53 VanDerWaalsContact CD2-CG 3.46Å; L48-W53 HydrophobicContact CD2-CZ3 4.49Å; L48-W53 HydrophobicContact CG-CB 4.47Å; L48-W53 HydrophobicContact CG-CG 4.48Å; D49-W53 CarbonylContact O-C 3.41Å; D49-W53 WeakPolarHBondContact O-CA 3.47Å; D49-W53 PolarHBondContact O-N 3Å
54P93.6Very high94.2Very high26 Ų2635.5 Ų35.517%0.16919%0.192CC..  trans-67.3155.5176.932.6-35.3000110.4Y19 K21Y19-P54 WeakPolarHBondContact CD1-O 3.45Å; Y19-P54 HydrophobicContact CE1-CG 4.47Å; K21-P54 HydrophobicContact CB-CG 4.43Å; K21-P54 HydrophobicContact CG-CG 3.56Å
55L93.9Very high94.5Very high0 Ų028.8 Ų28.80%016%0.16CC..  trans-70.1140172.9-56.7174.3000110.6A12 D15 A16 V59 R97 L333 D334 K335A12-L55 HydrophobicContact CB-CD2 3.74Å; A12-L55 WeakPolarHBondContact O-CD2 3.23Å; D15-L55 WeakPolarHBondContact OD2-CA 3.36Å; A16-L55 HydrophobicContact CB-CD2 4.28Å; L55-V59 HydrophobicContact CB-CB 4.25Å; L55-V59 HydrophobicContact CB-CG1 4.35Å; L55-V59 HydrophobicContact CD1-CG1 3.83Å; L55-V59 HydrophobicContact CD2-CG1 4.33Å; L55-V59 HydrophobicContact CD2-CG2 4.49Å; L55-V59 HydrophobicContact CG-CG1 4.38Å; L55-R97 PolarHBondContact O-NH1 3.15Å; L55-L333 HydrophobicContact CD2-CD1 4.25Å; L55-D334 HydrophobicContact CD1-CB 4.17Å; L55-D334 WeakPolarHBondContact CD1-O 3.43Å; L55-D334 HydrophobicContact CG-CB 4.07Å; L55-K335 HydrophobicContact CD1-CB 4.2Å; L55-K335 HydrophobicContact CD1-CD 4.31Å; L55-K335 HydrophobicContact CD1-CG 4.32Å
56S92.8Very high94.7Very high5 Ų525 Ų254%0.03513%0.133CC..  trans-72174.5169.991.90000111.1D15 A58D15-S56 VanDerWaalsContact OD1-CB 3.26Å; D15-S56 WeakPolarHBondContact OD1-CB 3.41Å; D15-S56 PolarHBondContact OD1-OG 2.77Å; D15-S56 PolarHBondContact OD2-N 2.79Å; D15-S56 PolarHBondContact OD2-OG 3.28Å; S56-A58 PolarHBondContact O-N 3.41Å; S56-A58 WeakPolarHBondContact OG-CB 3.48Å; S56-A58 PolarHBondContact OG-N 3.46Å
57D91Very high94.8Very high10 Ų1027 Ų275%0.05314%0.143CC..Hα-helixtrans-72.3-20.4177.4-56.9-23.7000112.4V59 L60 M61 L94 R97 P99D57-V59 PolarHBondContact O-N 2.98Å; D57-L60 PolarHBondContact O-N 3.42Å; D57-M61 WeakPolarHBondContact O-CG 3.34Å; D57-M61 PolarHBondContact O-N 2.92Å; D57-L94 HydrophobicContact CB-CD1 4.31Å; D57-L94 HydrophobicContact CB-CD2 4.03Å; D57-L94 VanDerWaalsContact OD1-CD2 3.28Å; D57-L94 WeakPolarHBondContact OD1-CD2 3.37Å; D57-R97 VanDerWaalsContact OD1-CD 3.23Å; D57-R97 WeakPolarHBondContact OD1-CD 3.44Å; D57-R97 IonicContact OD1-NH1 2.82Å; D57-R97 PolarHBondContact OD1-NH1 3.26Å; D57-P99 WeakPolarHBondContact OD2-CA 3.38Å; D57-P99 WeakPolarHBondContact OD2-CB 3.38Å
58A92.8Very high94.9Very high7 Ų722.2 Ų22.26%0.05812%0.122CC..Hα-helixtrans-61.6-43.8176.100000111.3S56 M61 H62 F130 A134 L310S56-A58 PolarHBondContact O-N 3.41Å; S56-A58 WeakPolarHBondContact OG-CB 3.48Å; S56-A58 PolarHBondContact OG-N 3.46Å; A58-M61 PolarHBondContact O-N 3.17Å; A58-H62 PolarHBondContact O-N 3.16Å; A58-F130 HydrophobicContact CB-CE2 4.36Å; A58-A134 HydrophobicContact CB-CB 4.19Å; A58-L310 HydrophobicContact CB-CD2 3.78Å
59V95.1Very high95Very high1 Ų122.1 Ų22.11%0.00612%0.122CC..Hα-helixtrans-66.6-41.3174.81720000111.4A12 D15 L55 D57 M61 H62 M63 L310 L339A12-V59 HydrophobicContact CB-CG1 3.97Å; A12-V59 HydrophobicContact CB-CG2 4.32Å; D15-V59 HydrophobicContact CB-CG2 3.2Å; D15-V59 WeakPolarHBondContact OD2-CG2 2.71Å; L55-V59 HydrophobicContact CB-CB 4.25Å; L55-V59 HydrophobicContact CB-CG1 4.35Å; L55-V59 HydrophobicContact CD1-CG1 3.83Å; L55-V59 HydrophobicContact CD2-CG1 4.33Å; L55-V59 HydrophobicContact CD2-CG2 4.49Å; L55-V59 HydrophobicContact CG-CG1 4.38Å; D57-V59 PolarHBondContact O-N 2.98Å; V59-M61 VanDerWaalsContact C-N 3.27Å; V59-M61 PolarHBondContact O-N 3.36Å; V59-H62 WeakPolarHBondContact O-CB 3.44Å; V59-H62 PolarHBondContact O-N 2.93Å; V59-H62 VanDerWaalsContact O-N 3.12Å; V59-M63 HydrophobicContact CG1-CG 4.2Å; V59-M63 HydrophobicContact CG1-SD 4.06Å; V59-M63 VanDerWaalsContact O-CG 3.32Å; V59-M63 WeakPolarHBondContact O-CG 2.98Å; V59-M63 PolarHBondContact O-N 3.49Å; V59-L310 HydrophobicContact CG2-CD1 3.73Å; V59-L310 HydrophobicContact CG2-CD2 4.01Å; V59-L310 HydrophobicContact CG2-CG 4.42Å; V59-L339 HydrophobicContact CG1-CD2 4.48Å
60L94.6Very high95.2Very high27 Ų2723 Ų2314%0.14113%0.126CC..Hα-helixtrans-60.6-40.8178-63.1-175.4000111.2D57 M63 T64 L94 R97 K335D57-L60 PolarHBondContact O-N 3.42Å; L60-M63 HydrophobicContact CD2-SD 4.43Å; L60-M63 PolarHBondContact O-N 3.46Å; L60-T64 WeakPolarHBondContact O-CB 2.99Å; L60-T64 PolarHBondContact O-N 2.85Å; L60-T64 PolarHBondContact O-OG1 3.35Å; L60-L94 HydrophobicContact CD1-CD2 3.52Å; L60-R97 VanDerWaalsContact CD1-NH1 3.28Å; L60-K335 HydrophobicContact CD2-CD 3.96Å
61M95.5Very high95.5Very high2 Ų222.3 Ų22.31%0.0112%0.121CC..Hα-helixtrans-67.2-39174-67.5-58.2-69.600112.2D57 A58 V59 T64 T65 Y87 A90 M91 T103 K135D57-M61 WeakPolarHBondContact O-CG 3.34Å; D57-M61 PolarHBondContact O-N 2.92Å; A58-M61 PolarHBondContact O-N 3.17Å; V59-M61 VanDerWaalsContact C-N 3.27Å; V59-M61 PolarHBondContact O-N 3.36Å; M61-T64 WeakPolarHBondContact O-CB 3.36Å; M61-T64 PolarHBondContact O-N 3.16Å; M61-T65 PolarHBondContact O-N 3.43Å; M61-T65 PolarHBondContact O-OG1 3.4Å; M61-Y87 HydrophobicContact CE-CD1 3.5Å; M61-Y87 VanDerWaalsContact CE-CD1 3.5Å; M61-Y87 HydrophobicContact CE-CD2 4.24Å; M61-Y87 HydrophobicContact CE-CE1 3.68Å; M61-Y87 HydrophobicContact CE-CE2 4.41Å; M61-Y87 HydrophobicContact CE-CG 3.8Å; M61-A90 HydrophobicContact SD-CB 4.36Å; M61-M91 HydrophobicContact CE-CE 4.03Å; M61-M91 HydrophobicContact SD-CE 3.53Å; M61-M91 VanDerWaalsContact SD-CE 3.53Å; M61-T103 HydrophobicContact CG-CG2 3.61Å; M61-T103 HydrophobicContact SD-CG2 4.42Å; M61-K135 HydrophobicContact CB-CB 4.15Å; M61-K135 HydrophobicContact CB-CD 4.08Å; M61-K135 HydrophobicContact CE-CD 4.36Å
62H98.2Very high95.4Very high1 Ų124.2 Ų24.21%0.00513%0.131CC..Hα-helixtrans-62.2-42.4174.3-177.8-139.1000112.5M8 A58 V59 T65 A66 K135 C138M8-H62 VanDerWaalsContact SD-CE1 3.57Å; A58-H62 PolarHBondContact O-N 3.16Å; V59-H62 WeakPolarHBondContact O-CB 3.44Å; V59-H62 PolarHBondContact O-N 2.93Å; V59-H62 VanDerWaalsContact O-N 3.12Å; H62-T65 PolarHBondContact O-N 3.13Å; H62-A66 PolarHBondContact O-N 3.13Å; H62-K135 HydrophobicContact CB-CB 4.39Å; H62-C138 VanDerWaalsContact CD2-SG 3.53Å; H62-C138 PolarHBondContact NE2-N 3.2Å
63M98.3Very high95.5Very high8 Ų822.3 Ų22.34%0.03912%0.118CC..Hα-helixtrans-61.4-44.8172.1-68.7177.474.100111.1V59 L60 T65 A66 E67 K335 R338 L339 L342V59-M63 HydrophobicContact CG1-CG 4.2Å; V59-M63 HydrophobicContact CG1-SD 4.06Å; V59-M63 VanDerWaalsContact O-CG 3.32Å; V59-M63 WeakPolarHBondContact O-CG 2.98Å; V59-M63 PolarHBondContact O-N 3.49Å; L60-M63 HydrophobicContact CD2-SD 4.43Å; L60-M63 PolarHBondContact O-N 3.46Å; M63-T65 VanDerWaalsContact C-N 3.32Å; M63-T65 PolarHBondContact O-N 3.38Å; M63-A66 CarbonylContact O-C 3.52Å; M63-A66 WeakPolarHBondContact O-CA 3.37Å; M63-A66 WeakPolarHBondContact O-CB 3.45Å; M63-A66 PolarHBondContact O-N 2.93Å; M63-A66 VanDerWaalsContact O-N 3.08Å; M63-E67 WeakPolarHBondContact O-CG 3.37Å; M63-E67 PolarHBondContact O-N 2.94Å; M63-K335 HydrophobicContact CE-CB 4.06Å; M63-K335 HydrophobicContact CE-CD 3.93Å; M63-K335 HydrophobicContact SD-CB 4.42Å; M63-K335 HydrophobicContact SD-CD 3.9Å; M63-R338 HydrophobicContact CE-CB 4Å; M63-R338 HydrophobicContact CE-CG 3.43Å; M63-R338 VanDerWaalsContact CE-CG 3.43Å; M63-L339 HydrophobicContact CE-CD2 4.09Å; M63-L339 HydrophobicContact CE-CG 4.19Å; M63-L339 HydrophobicContact CG-CD2 3.6Å; M63-L339 HydrophobicContact SD-CD2 3.71Å; M63-L339 HydrophobicContact SD-CG 4.21Å; M63-L342 HydrophobicContact CB-CD1 3.9Å; M63-L342 HydrophobicContact CE-CD1 3.88Å; M63-L342 HydrophobicContact CG-CD1 4.04Å
64T97.5Very high95.2Very high13 Ų1333.2 Ų33.28%0.0816%0.159CC..Hα-helixtrans-61-41178.4-53.30000111.5L60 M61 E67 A68 L86 Y87 A90L60-T64 WeakPolarHBondContact O-CB 2.99Å; L60-T64 PolarHBondContact O-N 2.85Å; L60-T64 PolarHBondContact O-OG1 3.35Å; M61-T64 WeakPolarHBondContact O-CB 3.36Å; M61-T64 PolarHBondContact O-N 3.16Å; T64-E67 PolarHBondContact O-N 3.24Å; T64-A68 PolarHBondContact O-N 3.05Å; T64-A68 VanDerWaalsContact O-N 3.11Å; T64-L86 HydrophobicContact CG2-CB 3.64Å; T64-Y87 HydrophobicContact CG2-CD1 3.69Å; T64-Y87 HydrophobicContact CG2-CE1 4.11Å; T64-A90 HydrophobicContact CG2-CB 4.2Å
65T98.6Very high95.2Very high0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-63-43.8172.7-49.70000111.4M61 H62 M63 E67 A68 L69 Y87 K135 C138 V139 I159M61-T65 PolarHBondContact O-N 3.43Å; M61-T65 PolarHBondContact O-OG1 3.4Å; H62-T65 PolarHBondContact O-N 3.13Å; M63-T65 VanDerWaalsContact C-N 3.32Å; M63-T65 PolarHBondContact O-N 3.38Å; T65-E67 VanDerWaalsContact C-N 3.31Å; T65-E67 PolarHBondContact O-N 2.89Å; T65-A68 PolarHBondContact O-N 3.25Å; T65-L69 HydrophobicContact CG2-CD1 4.06Å; T65-L69 VanDerWaalsContact O-CG 3.28Å; T65-L69 WeakPolarHBondContact O-CG 3.17Å; T65-L69 PolarHBondContact O-N 3.13Å; T65-L69 VanDerWaalsContact O-N 3.09Å; T65-Y87 PolarHBondContact OG1-OH 2.52Å; T65-K135 VanDerWaalsContact CB-O 3.29Å; T65-K135 WeakPolarHBondContact CB-O 3.26Å; T65-K135 WeakPolarHBondContact CG2-O 3.39Å; T65-K135 PolarHBondContact OG1-O 3.07Å; T65-C138 VanDerWaalsContact CG2-SG 3.54Å; T65-V139 HydrophobicContact CG2-CG2 4.32Å; T65-I159 HydrophobicContact CG2-CD1 3.78Å; T65-I159 HydrophobicContact CG2-CG2 4.18Å
66A98.8Very high95.3Very high0 Ų036.1 Ų36.10%018%0.177CC..Hα-helixtrans-62-39.7177.700000111.8M8 H62 M63 L69 I70 C138 L342 L346M8-A66 HydrophobicContact CE-CB 3.91Å; H62-A66 PolarHBondContact O-N 3.13Å; M63-A66 CarbonylContact O-C 3.52Å; M63-A66 WeakPolarHBondContact O-CA 3.37Å; M63-A66 WeakPolarHBondContact O-CB 3.45Å; M63-A66 PolarHBondContact O-N 2.93Å; M63-A66 VanDerWaalsContact O-N 3.08Å; A66-L69 PolarHBondContact O-N 2.98Å; A66-I70 WeakPolarHBondContact O-CG1 3.39Å; A66-I70 WeakPolarHBondContact O-CG2 3.31Å; A66-I70 PolarHBondContact O-N 2.91Å; A66-C138 HydrophobicContact CB-CB 4.01Å; A66-L342 HydrophobicContact CB-CB 4.43Å; A66-L342 HydrophobicContact CB-CD1 4.4Å; A66-L342 HydrophobicContact CB-CD2 4.4Å; A66-L346 HydrophobicContact CB-CD1 3.9Å; A66-L346 HydrophobicContact CB-CG 4.48Å
67E98.5Very high95.3Very high52 Ų5240.8 Ų40.824%0.24320%0.198CC..Hα-helixtrans-60-45.6175.1-75.1178167.300111.9M63 T64 T65 L69 I70 T71 L86 R338 L342M63-E67 WeakPolarHBondContact O-CG 3.37Å; M63-E67 PolarHBondContact O-N 2.94Å; T64-E67 PolarHBondContact O-N 3.24Å; T65-E67 VanDerWaalsContact C-N 3.31Å; T65-E67 PolarHBondContact O-N 2.89Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.5Å; E67-I70 WeakPolarHBondContact O-CG1 3.37Å; E67-I70 PolarHBondContact O-N 3.33Å; E67-T71 WeakPolarHBondContact O-CG2 3.45Å; E67-L86 HydrophobicContact CB-CD1 4.17Å; E67-R338 IonicContact OE1-CZ 2.83Å; E67-R338 IonicContact OE1-NE 2.74Å; E67-R338 PolarHBondContact OE1-NE 3.14Å; E67-R338 VanDerWaalsContact OE1-NE 3.13Å; E67-R338 IonicContact OE1-NH2 3.37Å; E67-R338 PolarHBondContact OE1-NH2 3.03Å; E67-L342 HydrophobicContact CG-CD1 4.32Å; E67-L342 HydrophobicContact CG-CD2 3.52Å
68A98.2Very high95.5Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-61.6-43.1176.200000112T64 T65 I70 T71 L79 V83 L86T64-A68 PolarHBondContact O-N 3.05Å; T64-A68 VanDerWaalsContact O-N 3.11Å; T65-A68 PolarHBondContact O-N 3.25Å; A68-I70 PolarHBondContact O-N 3.36Å; A68-T71 WeakPolarHBondContact O-CB 3.3Å; A68-T71 PolarHBondContact O-N 2.81Å; A68-T71 PolarHBondContact O-OG1 3.25Å; A68-L79 HydrophobicContact CB-CD1 4.26Å; A68-L79 WeakPolarHBondContact O-CD1 3.4Å; A68-V83 HydrophobicContact CB-CB 4.24Å; A68-V83 HydrophobicContact CB-CG2 3.47Å; A68-V83 VanDerWaalsContact CB-CG2 3.47Å; A68-L86 HydrophobicContact CB-CD1 3.74Å
69L98.3Very high95.6Very high0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-68.2-17.2-175.9-71.3167.8000114.8T65 A66 E67 L79 C138 V139 R142 Y143 V155 L346T65-L69 HydrophobicContact CG2-CD1 4.06Å; T65-L69 VanDerWaalsContact O-CG 3.28Å; T65-L69 WeakPolarHBondContact O-CG 3.17Å; T65-L69 PolarHBondContact O-N 3.13Å; T65-L69 VanDerWaalsContact O-N 3.09Å; A66-L69 PolarHBondContact O-N 2.98Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.5Å; L69-L79 HydrophobicContact CD2-CD1 4.27Å; L69-L79 HydrophobicContact CD2-CD2 3.99Å; L69-C138 HydrophobicContact CD1-CB 4.06Å; L69-V139 HydrophobicContact CD1-CB 4.49Å; L69-V139 HydrophobicContact CD1-CG2 4.01Å; L69-R142 HydrophobicContact CB-CG 4.38Å; L69-R142 HydrophobicContact CD1-CB 4.33Å; L69-R142 HydrophobicContact CD2-CB 4.44Å; L69-R142 HydrophobicContact CD2-CG 4.23Å; L69-R142 PolarHBondContact O-NE 3.46Å; L69-Y143 HydrophobicContact CD2-CE2 4.18Å; L69-V155 HydrophobicContact CD2-CG1 4.21Å; L69-L346 HydrophobicContact CB-CD2 3.99Å; L69-L346 HydrophobicContact CD1-CD2 4.38Å
70I97.2Very high95.7Very high49 Ų4942.3 Ų42.325%0.25121%0.205SC..THydrogen-bonded Turntrans-101.42.4177.965.9168.7000112.9A66 E67 A68 L342 A345 L346A66-I70 WeakPolarHBondContact O-CG1 3.39Å; A66-I70 WeakPolarHBondContact O-CG2 3.31Å; A66-I70 PolarHBondContact O-N 2.91Å; E67-I70 WeakPolarHBondContact O-CG1 3.37Å; E67-I70 PolarHBondContact O-N 3.33Å; A68-I70 PolarHBondContact O-N 3.36Å; I70-L342 HydrophobicContact CD1-CD2 3.82Å; I70-A345 HydrophobicContact CB-CB 4.17Å; I70-A345 HydrophobicContact CD1-CB 3.59Å; I70-A345 HydrophobicContact CG1-CB 4.48Å; I70-A345 HydrophobicContact CG2-CB 3.83Å; I70-L346 HydrophobicContact CG2-CB 4.47Å; I70-L346 HydrophobicContact CG2-CD2 3.8Å; I70-L346 HydrophobicContact CG2-CG 3.89Å
71T95.6Very high95.7Very high42 Ų4242.9 Ų42.926%0.25821%0.205SC..SBendtrans-74.1156.1173.661.50000111E67 A68 Y73 E82E67-T71 WeakPolarHBondContact O-CG2 3.45Å; A68-T71 WeakPolarHBondContact O-CB 3.3Å; A68-T71 PolarHBondContact O-N 2.81Å; A68-T71 PolarHBondContact O-OG1 3.25Å; T71-Y73 VanDerWaalsContact O-CD1 3.27Å; T71-Y73 WeakPolarHBondContact O-CD1 3.32Å; T71-Y73 PolarHBondContact O-N 3.12Å; T71-E82 HydrophobicContact CG2-CG 3.84Å
72D89.8Confident95.8Very high172 Ų17244.9 Ų44.992%0.9222%0.215SC*.  trans-77.3111171.3-70.2-31.7000109.3
73Y92.3Very high95.7Very high39 Ų3944.9 Ų44.915%0.15321%0.214CC..  trans-128.8142.717661.8-102.1000110.3T71 C75 L76 L79 R142 Y143T71-Y73 VanDerWaalsContact O-CD1 3.27Å; T71-Y73 WeakPolarHBondContact O-CD1 3.32Å; T71-Y73 PolarHBondContact O-N 3.12Å; Y73-C75 WeakPolarHBondContact CD2-O 3.45Å; Y73-L76 HydrophobicContact CE2-CD2 4.43Å; Y73-L79 HydrophobicContact CD1-CB 3.83Å; Y73-L79 HydrophobicContact CD1-CD1 3.93Å; Y73-L79 HydrophobicContact CD1-CG 4.32Å; Y73-L79 HydrophobicContact CD2-CB 4.02Å; Y73-L79 HydrophobicContact CE1-CB 4.13Å; Y73-L79 HydrophobicContact CE1-CD1 3.9Å; Y73-L79 HydrophobicContact CE1-CD2 4.09Å; Y73-L79 HydrophobicContact CE1-CG 4.25Å; Y73-L79 HydrophobicContact CE2-CB 4.34Å; Y73-L79 HydrophobicContact CG-CB 3.79Å; Y73-R142 PolarHBondContact OH-NH2 2.74Å; Y73-R142 VanDerWaalsContact OH-NH2 3.11Å; Y73-Y143 PolarHBondContact OH-OH 2.87Å
74W89.1Confident95.5Very high244 Ų24444.5 Ų44.592%0.92421%0.213SC*.SBendtrans-87.9-28.9-177.5-60.891.7000112.5D78W74-D78 WeakPolarHBondContact CB-OD2 2.94Å; W74-D78 PolarHBondContact N-OD2 2.81Å; W74-D78 VanDerWaalsContact N-OD2 3.16Å
75C93.6Very high95.4Very high56 Ų5648.8 Ų48.838%0.37823%0.227SC..SBendtrans-144.5169.9176.468.90000111.1Y73 E77 D78 L79Y73-C75 WeakPolarHBondContact CD2-O 3.45Å; C75-E77 PolarHBondContact O-N 3.47Å; C75-D78 WeakPolarHBondContact O-CB 3.48Å; C75-D78 PolarHBondContact O-N 3.47Å; C75-D78 VanDerWaalsContact O-N 3.13Å; C75-L79 PolarHBondContact O-N 3.22Å
76L95.1Very high95.2Very high31 Ų3149.6 Ų49.616%0.16223%0.231CC..Hα-helixtrans-63.9-28.7-179.5-64-178.5000113Y73 D78 L79 Y80 E154 V155Y73-L76 HydrophobicContact CE2-CD2 4.43Å; L76-D78 VanDerWaalsContact C-N 3.32Å; L76-D78 PolarHBondContact O-N 3.31Å; L76-L79 HydrophobicContact CD2-CD2 4.29Å; L76-L79 WeakPolarHBondContact O-CB 3.19Å; L76-L79 PolarHBondContact O-N 2.73Å; L76-Y80 HydrophobicContact CB-CE1 4.43Å; L76-Y80 HydrophobicContact CB-CE2 3.93Å; L76-Y80 WeakPolarHBondContact O-CD1 3.31Å; L76-Y80 WeakPolarHBondContact O-CD2 3.27Å; L76-Y80 PolarHBondContact O-N 2.75Å; L76-E154 VanDerWaalsContact CD1-CD 3.49Å; L76-E154 HydrophobicContact CD1-CG 3.95Å; L76-V155 HydrophobicContact CD1-CG2 4.2Å; L76-V155 HydrophobicContact CD2-CG2 3.76Å
77E93.6Very high95Very high102 Ų10249.6 Ų49.648%0.47723%0.231SC..Hα-helixtrans-65.4-35.5174.9-61.4-178-174.200112.6C75 Y80 R81 W119C75-E77 PolarHBondContact O-N 3.47Å; E77-Y80 PolarHBondContact O-N 2.88Å; E77-R81 WeakPolarHBondContact O-CG 3.47Å; E77-R81 PolarHBondContact O-N 3.39Å; E77-R81 IonicContact OE2-NH1 3.92Å; E77-W119 HydrophobicContact CB-CH2 3.88Å; E77-W119 HydrophobicContact CB-CZ2 4.42Å; E77-W119 HydrophobicContact CG-CH2 4.04Å; E77-W119 HydrophobicContact CG-CZ2 4.2Å
78D94.2Very high94.6Very high46 Ų4649.4 Ų49.425%0.24623%0.234CC..Hα-helixtrans-62.6-46.5172.9-74.2-24.7000110.2W74 C75 L76 Y80 R81 E82W74-D78 WeakPolarHBondContact CB-OD2 2.94Å; W74-D78 PolarHBondContact N-OD2 2.81Å; W74-D78 VanDerWaalsContact N-OD2 3.16Å; C75-D78 WeakPolarHBondContact O-CB 3.48Å; C75-D78 PolarHBondContact O-N 3.47Å; C75-D78 VanDerWaalsContact O-N 3.13Å; L76-D78 VanDerWaalsContact C-N 3.32Å; L76-D78 PolarHBondContact O-N 3.31Å; D78-Y80 VanDerWaalsContact C-N 3.34Å; D78-Y80 PolarHBondContact O-N 2.85Å; D78-R81 PolarHBondContact O-N 2.92Å; D78-R81 IonicContact OD1-CZ 2.86Å; D78-R81 IonicContact OD1-NE 3.65Å; D78-R81 IonicContact OD1-NH2 3.22Å; D78-R81 PolarHBondContact OD1-NH2 3.35Å; D78-E82 PolarHBondContact O-N 3.3Å
79L96.4Very high94.3Very high0 Ų054.4 Ų54.40%026%0.257CS..Hα-helixtrans-56.6-47.2174.1172.462.5000111.1A68 L69 Y73 C75 L76 R81 E82 V83 V155A68-L79 HydrophobicContact CB-CD1 4.26Å; A68-L79 WeakPolarHBondContact O-CD1 3.4Å; L69-L79 HydrophobicContact CD2-CD1 4.27Å; L69-L79 HydrophobicContact CD2-CD2 3.99Å; Y73-L79 HydrophobicContact CD1-CB 3.83Å; Y73-L79 HydrophobicContact CD1-CD1 3.93Å; Y73-L79 HydrophobicContact CD1-CG 4.32Å; Y73-L79 HydrophobicContact CD2-CB 4.02Å; Y73-L79 HydrophobicContact CE1-CB 4.13Å; Y73-L79 HydrophobicContact CE1-CD1 3.9Å; Y73-L79 HydrophobicContact CE1-CD2 4.09Å; Y73-L79 HydrophobicContact CE1-CG 4.25Å; Y73-L79 HydrophobicContact CE2-CB 4.34Å; Y73-L79 HydrophobicContact CG-CB 3.79Å; C75-L79 PolarHBondContact O-N 3.22Å; L76-L79 HydrophobicContact CD2-CD2 4.29Å; L76-L79 WeakPolarHBondContact O-CB 3.19Å; L76-L79 PolarHBondContact O-N 2.73Å; L79-R81 VanDerWaalsContact C-N 3.35Å; L79-R81 PolarHBondContact O-N 3.05Å; L79-E82 PolarHBondContact O-N 3.21Å; L79-E82 VanDerWaalsContact O-N 3.11Å; L79-V83 HydrophobicContact CD1-CG2 4.03Å; L79-V83 HydrophobicContact CG-CG2 4.31Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.4Å; L79-V155 HydrophobicContact CD2-CG1 4.08Å; L79-V155 HydrophobicContact CD2-CG2 4.41Å
80Y96.6Very high93.8Very high5 Ų555.1 Ų55.12%0.0226%0.263CS..Hα-helixtrans-64.8-37.6-178.3-58.3-28.5000112.8L76 E77 D78 E82 V84 W119 E154 V155 E158 M162L76-Y80 HydrophobicContact CB-CE1 4.43Å; L76-Y80 HydrophobicContact CB-CE2 3.93Å; L76-Y80 WeakPolarHBondContact O-CD1 3.31Å; L76-Y80 WeakPolarHBondContact O-CD2 3.27Å; L76-Y80 PolarHBondContact O-N 2.75Å; E77-Y80 PolarHBondContact O-N 2.88Å; D78-Y80 VanDerWaalsContact C-N 3.34Å; D78-Y80 PolarHBondContact O-N 2.85Å; Y80-E82 VanDerWaalsContact C-N 3.3Å; Y80-V84 VanDerWaalsContact O-CG2 3.31Å; Y80-V84 WeakPolarHBondContact O-CG2 3.21Å; Y80-V84 PolarHBondContact O-N 2.93Å; Y80-W119 VanDerWaalsContact CB-CD2 3.43Å; Y80-W119 HydrophobicContact CD2-CD2 4.14Å; Y80-W119 AromaticContact CD2-CE2 3.6Å; Y80-W119 AromaticContact CD2-CZ2 3.83Å; Y80-W119 HydrophobicContact CD2-CZ2 3.83Å; Y80-W119 AromaticContact CD2-NE1 3.64Å; Y80-W119 HydrophobicContact CG-CD2 4.19Å; Y80-W119 HydrophobicContact CG-CG 4.38Å; Y80-E154 WeakPolarHBondContact OH-CG 3.37Å; Y80-E154 PolarHBondContact OH-OE1 3.14Å; Y80-V155 HydrophobicContact CE1-CG1 4.5Å; Y80-V155 HydrophobicContact CE1-CG2 4.27Å; Y80-E158 HydrophobicContact CD1-CB 4.33Å; Y80-E158 HydrophobicContact CE1-CB 3.87Å; Y80-E158 HydrophobicContact CE1-CG 4.36Å; Y80-E158 HydrophobicContact CE2-CB 4.4Å; Y80-E158 HydrophobicContact CE2-CG 4.09Å; Y80-M162 HydrophobicContact CD1-CE 3.85Å; Y80-M162 HydrophobicContact CG-CE 4.04Å
81R95.3Very high93.2Very high39 Ų3953.9 Ų53.915%0.14726%0.257CS..Hα-helixtrans-61.9-41.4171.8-72.8-177-79.4-92.9-0.5111.4E77 D78 L79 V84 R85 F115 A118 W119E77-R81 WeakPolarHBondContact O-CG 3.47Å; E77-R81 PolarHBondContact O-N 3.39Å; E77-R81 IonicContact OE2-NH1 3.92Å; D78-R81 PolarHBondContact O-N 2.92Å; D78-R81 IonicContact OD1-CZ 2.86Å; D78-R81 IonicContact OD1-NE 3.65Å; D78-R81 IonicContact OD1-NH2 3.22Å; D78-R81 PolarHBondContact OD1-NH2 3.35Å; L79-R81 VanDerWaalsContact C-N 3.35Å; L79-R81 PolarHBondContact O-N 3.05Å; R81-V84 PolarHBondContact O-N 3.22Å; R81-R85 PolarHBondContact O-N 3.35Å; R81-F115 VanDerWaalsContact CZ-CZ 3.42Å; R81-F115 PolarHBondContact NH1-O 3.39Å; R81-A118 HydrophobicContact CG-CB 4.46Å; R81-W119 HydrophobicContact CG-CE3 4.19Å; R81-W119 HydrophobicContact CG-CZ3 3.66Å
82E95.9Very high92.4Very high44 Ų4456.5 Ų56.521%0.20627%0.272CS..Hα-helixtrans-70-41-179.8-175.257.9-170.900112.4T71 D78 L79 Y80 V84 R85 L86T71-E82 HydrophobicContact CG2-CG 3.84Å; D78-E82 PolarHBondContact O-N 3.3Å; L79-E82 PolarHBondContact O-N 3.21Å; L79-E82 VanDerWaalsContact O-N 3.11Å; Y80-E82 VanDerWaalsContact C-N 3.3Å; E82-V84 VanDerWaalsContact C-N 3.28Å; E82-V84 PolarHBondContact O-N 3.4Å; E82-R85 PolarHBondContact O-N 2.99Å; E82-R85 IonicContact OE1-CZ 3.04Å; E82-R85 IonicContact OE1-NE 3.13Å; E82-R85 PolarHBondContact OE1-NE 2.89Å; E82-R85 IonicContact OE1-NH2 3.42Å; E82-R85 PolarHBondContact OE1-NH2 3.19Å; E82-R85 IonicContact OE2-CZ 3.69Å; E82-R85 IonicContact OE2-NE 2.8Å; E82-R85 PolarHBondContact OE2-NE 3.41Å; E82-R85 IonicContact OE2-NH2 2.68Å; E82-L86 HydrophobicContact CG-CD1 4.12Å; E82-L86 WeakPolarHBondContact O-CB 3.44Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 2.81Å
83V96.6Very high91.6Very high0 Ų052.8 Ų52.80%026%0.26CS..Hα-helixtrans-56.3-45.6171.3176.90000110.3A68 L79 L86 Y87 I159 M162A68-V83 HydrophobicContact CB-CB 4.24Å; A68-V83 HydrophobicContact CB-CG2 3.47Å; A68-V83 VanDerWaalsContact CB-CG2 3.47Å; L79-V83 HydrophobicContact CD1-CG2 4.03Å; L79-V83 HydrophobicContact CG-CG2 4.31Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.4Å; V83-L86 PolarHBondContact O-N 2.92Å; V83-Y87 HydrophobicContact CG1-CD1 4.3Å; V83-Y87 HydrophobicContact CG1-CD2 3.87Å; V83-Y87 HydrophobicContact CG1-CE1 3.96Å; V83-Y87 HydrophobicContact CG1-CE2 3.46Å; V83-Y87 VanDerWaalsContact CG1-CE2 3.46Å; V83-Y87 HydrophobicContact CG1-CG 4.26Å; V83-Y87 WeakPolarHBondContact O-CB 3.37Å; V83-Y87 PolarHBondContact O-N 3.12Å; V83-I159 HydrophobicContact CG1-CG1 4.46Å; V83-I159 HydrophobicContact CG2-CG1 4.46Å; V83-M162 HydrophobicContact CB-CE 4.11Å; V83-M162 HydrophobicContact CB-SD 3.99Å; V83-M162 HydrophobicContact CG1-CE 4.12Å; V83-M162 HydrophobicContact CG1-SD 3.38Å; V83-M162 WeakPolarHBondContact CG1-SD 3.38Å
84V95.2Very high90.8Very high0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-62.6-45.6177.7166.50000111.9Y80 R81 E82 L86 Y87 V88 L110 P112 A118 W119 M162Y80-V84 VanDerWaalsContact O-CG2 3.31Å; Y80-V84 WeakPolarHBondContact O-CG2 3.21Å; Y80-V84 PolarHBondContact O-N 2.93Å; R81-V84 PolarHBondContact O-N 3.22Å; E82-V84 VanDerWaalsContact C-N 3.28Å; E82-V84 PolarHBondContact O-N 3.4Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 3.25Å; V84-Y87 PolarHBondContact O-N 3.42Å; V84-V88 WeakPolarHBondContact O-CG2 3.47Å; V84-V88 PolarHBondContact O-N 3.1Å; V84-L110 HydrophobicContact CG1-CB 3.97Å; V84-L110 HydrophobicContact CG1-CD1 4.41Å; V84-L110 HydrophobicContact CG2-CD1 4.45Å; V84-L110 HydrophobicContact CG2-CD2 4.03Å; V84-P112 HydrophobicContact CG1-CB 4.08Å; V84-A118 HydrophobicContact CB-CB 4.47Å; V84-A118 HydrophobicContact CG1-CB 4.21Å; V84-A118 HydrophobicContact CG2-CB 4.42Å; V84-W119 HydrophobicContact CG2-CB 3.58Å; V84-M162 HydrophobicContact CG2-SD 4.3Å
85R94.4Very high89.4Confident104 Ų10447 Ų4739%0.39224%0.244SC..Hα-helixtrans-57.2-49.4178.1-169.4-166.469.470.4-1.1110.6R81 E82 V88 E89R81-R85 PolarHBondContact O-N 3.35Å; E82-R85 PolarHBondContact O-N 2.99Å; E82-R85 IonicContact OE1-CZ 3.04Å; E82-R85 IonicContact OE1-NE 3.13Å; E82-R85 PolarHBondContact OE1-NE 2.89Å; E82-R85 IonicContact OE1-NH2 3.42Å; E82-R85 PolarHBondContact OE1-NH2 3.19Å; E82-R85 IonicContact OE2-CZ 3.69Å; E82-R85 IonicContact OE2-NE 2.8Å; E82-R85 PolarHBondContact OE2-NE 3.41Å; E82-R85 IonicContact OE2-NH2 2.68Å; R85-V88 PolarHBondContact O-N 3.37Å; R85-E89 IonicContact CZ-OE2 2.78Å; R85-E89 IonicContact NH1-OE2 2.65Å; R85-E89 PolarHBondContact NH1-OE2 3.15Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 PolarHBondContact O-N 3.3Å
86L95.1Very high87.7Confident16 Ų1648 Ų488%0.08427%0.265CS..Hα-helixtrans-68.3-39.2-178.8-74.7172.6000112.7T64 E67 A68 E82 V83 V84 E89 A90T64-L86 HydrophobicContact CG2-CB 3.64Å; E67-L86 HydrophobicContact CB-CD1 4.17Å; A68-L86 HydrophobicContact CB-CD1 3.74Å; E82-L86 HydrophobicContact CG-CD1 4.12Å; E82-L86 WeakPolarHBondContact O-CB 3.44Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 2.81Å; V83-L86 PolarHBondContact O-N 2.92Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 3.25Å; L86-E89 PolarHBondContact O-N 2.94Å; L86-A90 WeakPolarHBondContact O-CB 3.29Å; L86-A90 PolarHBondContact O-N 3.13Å
87Y94.1Very high86.2Confident0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-62.1-44.1174-76.2-4.4000112.2M61 T64 T65 V83 V84 E89 A90 M91 L110 K135 I159 M162 T163M61-Y87 HydrophobicContact CE-CD1 3.5Å; M61-Y87 VanDerWaalsContact CE-CD1 3.5Å; M61-Y87 HydrophobicContact CE-CD2 4.24Å; M61-Y87 HydrophobicContact CE-CE1 3.68Å; M61-Y87 HydrophobicContact CE-CE2 4.41Å; M61-Y87 HydrophobicContact CE-CG 3.8Å; T64-Y87 HydrophobicContact CG2-CD1 3.69Å; T64-Y87 HydrophobicContact CG2-CE1 4.11Å; T65-Y87 PolarHBondContact OG1-OH 2.52Å; V83-Y87 HydrophobicContact CG1-CD1 4.3Å; V83-Y87 HydrophobicContact CG1-CD2 3.87Å; V83-Y87 HydrophobicContact CG1-CE1 3.96Å; V83-Y87 HydrophobicContact CG1-CE2 3.46Å; V83-Y87 VanDerWaalsContact CG1-CE2 3.46Å; V83-Y87 HydrophobicContact CG1-CG 4.26Å; V83-Y87 WeakPolarHBondContact O-CB 3.37Å; V83-Y87 PolarHBondContact O-N 3.12Å; V84-Y87 PolarHBondContact O-N 3.42Å; Y87-E89 VanDerWaalsContact C-N 3.33Å; Y87-E89 PolarHBondContact O-N 3.02Å; Y87-A90 PolarHBondContact O-N 2.86Å; Y87-M91 WeakPolarHBondContact O-CE 3.48Å; Y87-M91 WeakPolarHBondContact O-CG 3.28Å; Y87-M91 PolarHBondContact O-N 3.47Å; Y87-M91 VanDerWaalsContact O-N 3.15Å; Y87-L110 HydrophobicContact CD2-CD1 4.19Å; Y87-K135 WeakPolarHBondContact OH-CD 3.39Å; Y87-K135 WeakPolarHBondContact OH-CE 3.26Å; Y87-I159 WeakPolarHBondContact OH-CG2 3.43Å; Y87-M162 HydrophobicContact CE2-CB 4.41Å; Y87-M162 HydrophobicContact CE2-SD 4.19Å; Y87-T163 HydrophobicContact CD2-CG2 4.44Å
88V91Very high84.9Confident49 Ų4950.6 Ų50.630%0.29729%0.289SS..Hα-helixtrans-64.5-39.2177.31730000111.3V84 R85 M91 L110 P112V84-V88 WeakPolarHBondContact O-CG2 3.47Å; V84-V88 PolarHBondContact O-N 3.1Å; R85-V88 PolarHBondContact O-N 3.37Å; V88-M91 WeakPolarHBondContact O-CB 3.39Å; V88-M91 PolarHBondContact O-N 3.49Å; V88-L110 HydrophobicContact CG2-CB 4.12Å; V88-L110 HydrophobicContact CG2-CD1 4.36Å; V88-P112 HydrophobicContact CG1-CG 4.34Å; V88-P112 HydrophobicContact CG2-CG 4.11Å
89E90.6Very high83.7Confident105 Ų10550.2 Ų50.249%0.49129%0.289SS..Hα-helixtrans-65.6-42.6175.2-175172.4-175.100112.1R85 L86 Y87 M91 V92R85-E89 IonicContact CZ-OE2 2.78Å; R85-E89 IonicContact NH1-OE2 2.65Å; R85-E89 PolarHBondContact NH1-OE2 3.15Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 PolarHBondContact O-N 3.3Å; L86-E89 PolarHBondContact O-N 2.94Å; Y87-E89 VanDerWaalsContact C-N 3.33Å; Y87-E89 PolarHBondContact O-N 3.02Å; E89-M91 PolarHBondContact O-N 3.21Å; E89-V92 WeakPolarHBondContact O-CB 3.47Å; E89-V92 PolarHBondContact O-N 2.78Å; E89-V92 VanDerWaalsContact O-N 3.11Å
90A88.8Confident82.6Confident15 Ų1552.6 Ų52.612%0.12430%0.301CS..Hα-helixtrans-58-36.3176.100000111.5M61 T64 L86 Y87 V92 S93 L94M61-A90 HydrophobicContact SD-CB 4.36Å; T64-A90 HydrophobicContact CG2-CB 4.2Å; L86-A90 WeakPolarHBondContact O-CB 3.29Å; L86-A90 PolarHBondContact O-N 3.13Å; Y87-A90 PolarHBondContact O-N 2.86Å; A90-V92 VanDerWaalsContact C-N 3.26Å; A90-V92 PolarHBondContact O-N 3.11Å; A90-S93 WeakPolarHBondContact O-CA 3.28Å; A90-S93 WeakPolarHBondContact O-CB 3.42Å; A90-S93 PolarHBondContact O-N 3Å; A90-L94 WeakPolarHBondContact O-CG 3.23Å; A90-L94 PolarHBondContact O-N 3.42Å
91M83.8Confident81.5Confident22 Ų2255.9 Ų55.911%0.10832%0.323CS..Hα-helixtrans-59.8-35.1178.2-64.3-51.497.800112.9M61 Y87 V88 E89 S93 L94 Q95 V104 C107M61-M91 HydrophobicContact CE-CE 4.03Å; M61-M91 HydrophobicContact SD-CE 3.53Å; M61-M91 VanDerWaalsContact SD-CE 3.53Å; Y87-M91 WeakPolarHBondContact O-CE 3.48Å; Y87-M91 WeakPolarHBondContact O-CG 3.28Å; Y87-M91 PolarHBondContact O-N 3.47Å; Y87-M91 VanDerWaalsContact O-N 3.15Å; V88-M91 WeakPolarHBondContact O-CB 3.39Å; V88-M91 PolarHBondContact O-N 3.49Å; E89-M91 PolarHBondContact O-N 3.21Å; M91-S93 VanDerWaalsContact C-N 3.3Å; M91-S93 PolarHBondContact O-N 3.43Å; M91-L94 HydrophobicContact CE-CD1 3.58Å; M91-L94 PolarHBondContact O-N 3.11Å; M91-L94 HydrophobicContact SD-CD1 4.25Å; M91-Q95 WeakPolarHBondContact O-CG 3.49Å; M91-Q95 PolarHBondContact O-N 3.26Å; M91-V104 HydrophobicContact SD-CB 3.98Å; M91-V104 HydrophobicContact SD-CG1 3.76Å; M91-V104 HydrophobicContact SD-CG2 3.82Å; M91-C107 HydrophobicContact CG-CB 3.6Å; M91-C107 HydrophobicContact SD-CB 3.73Å; M91-C107 VanDerWaalsContact SD-SG 3.69Å
92V78.1Confident80.6Confident97 Ų9755.4 Ų55.459%0.58833%0.331SS*.Hα-helixtrans-64.5-39.7175.6-178.60000110.5E89 A90 L94 Q95E89-V92 WeakPolarHBondContact O-CB 3.47Å; E89-V92 PolarHBondContact O-N 2.78Å; E89-V92 VanDerWaalsContact O-N 3.11Å; A90-V92 VanDerWaalsContact C-N 3.26Å; A90-V92 PolarHBondContact O-N 3.11Å; V92-L94 VanDerWaalsContact C-N 3.28Å; V92-L94 PolarHBondContact O-N 3.5Å; V92-Q95 PolarHBondContact O-N 3.49Å
93S73Confident79.5Confident94 Ų9453.6 Ų53.666%0.65732%0.322SS*.Hα-helixtrans-70.5-24.1178.2-600000113.1A90 M91A90-S93 WeakPolarHBondContact O-CA 3.28Å; A90-S93 WeakPolarHBondContact O-CB 3.42Å; A90-S93 PolarHBondContact O-N 3Å; M91-S93 VanDerWaalsContact C-N 3.3Å; M91-S93 PolarHBondContact O-N 3.43Å
94L75.7Confident78.5Confident3 Ų355.4 Ų55.42%0.01633%0.333CS..Hα-helixtrans-83.8-15.7178.4-65.2-178.6000113.9D57 L60 A90 M91 V92 G96 R97 V104D57-L94 HydrophobicContact CB-CD1 4.31Å; D57-L94 HydrophobicContact CB-CD2 4.03Å; D57-L94 VanDerWaalsContact OD1-CD2 3.28Å; D57-L94 WeakPolarHBondContact OD1-CD2 3.37Å; L60-L94 HydrophobicContact CD1-CD2 3.52Å; A90-L94 WeakPolarHBondContact O-CG 3.23Å; A90-L94 PolarHBondContact O-N 3.42Å; M91-L94 HydrophobicContact CE-CD1 3.58Å; M91-L94 PolarHBondContact O-N 3.11Å; M91-L94 HydrophobicContact SD-CD1 4.25Å; V92-L94 VanDerWaalsContact C-N 3.28Å; V92-L94 PolarHBondContact O-N 3.5Å; L94-G96 PolarHBondContact O-N 3.04Å; L94-R97 PolarHBondContact O-N 3.27Å; L94-V104 HydrophobicContact CD1-CG2 4.07Å
95Q60.2Low77.9Confident158 Ų15861.1 Ų61.174%0.73836%0.36SS*.THydrogen-bonded Turntrans-62.7-11.1-177.4-78.5174.5-5.700115M91 V92M91-Q95 WeakPolarHBondContact O-CG 3.49Å; M91-Q95 PolarHBondContact O-N 3.26Å; V92-Q95 PolarHBondContact O-N 3.49Å
96G57.5Low77.4Confident78 Ų7856.7 Ų56.780%0.80435%0.345SS*.THydrogen-bonded Turntrans-95.3-0.2173.400000115.1L94L94-G96 PolarHBondContact O-N 3.04Å
97R64.9Low76.9Confident92 Ų9256.2 Ų56.235%0.34734%0.343SS..SBendtrans-108.2173.5176.8-63.3179.1174.2-152.6-7.1109.5L55 D57 L60 L94 P99L55-R97 PolarHBondContact O-NH1 3.15Å; D57-R97 VanDerWaalsContact OD1-CD 3.23Å; D57-R97 WeakPolarHBondContact OD1-CD 3.44Å; D57-R97 IonicContact OD1-NH1 2.82Å; D57-R97 PolarHBondContact OD1-NH1 3.26Å; L60-R97 VanDerWaalsContact CD1-NH1 3.28Å; L94-R97 PolarHBondContact O-N 3.27Å; R97-P99 WeakPolarHBondContact O-CD 3.34Å
98A64.8Low76.4Confident96 Ų9661.5 Ų61.579%0.79338%0.375SS*.  trans-96.682.9164.800000107.6
99P70.5Confident76.1Confident38 Ų3863.7 Ų63.725%0.24738%0.382CS..  trans-76.1154.2-169.333.2-39.8000113D57 R97 P101 V104D57-P99 WeakPolarHBondContact OD2-CA 3.38Å; D57-P99 WeakPolarHBondContact OD2-CB 3.38Å; R97-P99 WeakPolarHBondContact O-CD 3.34Å; P99-P101 VanDerWaalsContact O-CD 3.31Å; P99-P101 WeakPolarHBondContact O-CD 3.43Å; P99-V104 HydrophobicContact CB-CG2 3.52Å; P99-V104 HydrophobicContact CG-CB 4.48Å; P99-V104 HydrophobicContact CG-CG2 3.73Å
100D71.8Confident76.1Confident49 Ų4959.3 Ų59.326%0.26236%0.362SS..  trans-58.5121170.5170.6-104.8000109.6G102 T103 V104D100-G102 PolarHBondContact O-N 3.37Å; D100-G102 WeakPolarHBondContact OD1-CA 3.25Å; D100-G102 PolarHBondContact OD1-N 3.25Å; D100-T103 WeakPolarHBondContact O-CB 3.22Å; D100-T103 PolarHBondContact O-N 2.83Å; D100-T103 PolarHBondContact OD1-N 3.12Å; D100-T103 PolarHBondContact OD1-OG1 3.48Å; D100-V104 PolarHBondContact O-N 3.42Å
101P74.9Confident76.1Confident74 Ų7463.4 Ų63.448%0.48138%0.377SS..Hα-helixtrans-59.2-33.5-179.2-25.534.7000112.9P99 T103 V104 E105P99-P101 VanDerWaalsContact O-CD 3.31Å; P99-P101 WeakPolarHBondContact O-CD 3.43Å; P101-T103 PolarHBondContact O-N 3.37Å; P101-V104 PolarHBondContact O-N 3.48Å; P101-E105 HydrophobicContact CB-CG 4.28Å; P101-E105 VanDerWaalsContact O-CB 3.26Å; P101-E105 WeakPolarHBondContact O-CB 3.26Å; P101-E105 VanDerWaalsContact O-CG 3.31Å; P101-E105 WeakPolarHBondContact O-CG 3.37Å; P101-E105 PolarHBondContact O-N 2.83Å
102G75.5Confident76.2Confident30 Ų3064.9 Ų64.931%0.30939%0.388SS..Hα-helixtrans-64.3-22.817700000113.6D100 P106 H164D100-G102 PolarHBondContact O-N 3.37Å; D100-G102 WeakPolarHBondContact OD1-CA 3.25Å; D100-G102 PolarHBondContact OD1-N 3.25Å; G102-P106 WeakPolarHBondContact O-CD 3.48Å; G102-P106 WeakPolarHBondContact O-CG 3.29Å; G102-H164 PolarHBondContact O-CE1 3.04Å
103T72.5Confident76.6Confident5 Ų569.3 Ų69.33%0.03140%0.402CS..Hα-helixtrans-87.5-40.6178.4-60.70000112M61 D100 P101M61-T103 HydrophobicContact CG-CG2 3.61Å; M61-T103 HydrophobicContact SD-CG2 4.42Å; D100-T103 WeakPolarHBondContact O-CB 3.22Å; D100-T103 PolarHBondContact O-N 2.83Å; D100-T103 PolarHBondContact OD1-N 3.12Å; D100-T103 PolarHBondContact OD1-OG1 3.48Å; P101-T103 PolarHBondContact O-N 3.37Å
104V76.3Confident77.3Confident38 Ų3867.7 Ų67.723%0.2339%0.385CS..Hα-helixtrans-92.5-45.2-171.91760000113.4M91 L94 P99 D100 P101 P106 C107M91-V104 HydrophobicContact SD-CB 3.98Å; M91-V104 HydrophobicContact SD-CG1 3.76Å; M91-V104 HydrophobicContact SD-CG2 3.82Å; L94-V104 HydrophobicContact CD1-CG2 4.07Å; P99-V104 HydrophobicContact CB-CG2 3.52Å; P99-V104 HydrophobicContact CG-CB 4.48Å; P99-V104 HydrophobicContact CG-CG2 3.73Å; D100-V104 PolarHBondContact O-N 3.42Å; P101-V104 PolarHBondContact O-N 3.48Å; V104-P106 VanDerWaalsContact C-CD 3.46Å; V104-P106 VanDerWaalsContact C-N 3.33Å; V104-C107 WeakPolarHBondContact O-CB 3.49Å; V104-C107 PolarHBondContact O-N 2.91Å
105E81.9Confident77.6Confident120 Ų12073.8 Ų73.856%0.56141%0.412SS*.G310 helixtrans-55.7-42-174.9-68.5-179.2173.600112.6P101 C107 V108P101-E105 HydrophobicContact CB-CG 4.28Å; P101-E105 VanDerWaalsContact O-CB 3.26Å; P101-E105 WeakPolarHBondContact O-CB 3.26Å; P101-E105 VanDerWaalsContact O-CG 3.31Å; P101-E105 WeakPolarHBondContact O-CG 3.37Å; P101-E105 PolarHBondContact O-N 2.83Å; E105-C107 PolarHBondContact O-N 3.08Å; E105-V108 WeakPolarHBondContact O-CG1 3.15Å; E105-V108 WeakPolarHBondContact O-CG2 3.34Å; E105-V108 PolarHBondContact O-N 3.45Å
106P83.5Confident78.6Confident12 Ų1272.5 Ų72.58%0.07841%0.41CS..G310 helixtrans-67.9-23-178.4-22.335.3000114.4G102 V104 V108 H109 T163G102-P106 WeakPolarHBondContact O-CD 3.48Å; G102-P106 WeakPolarHBondContact O-CG 3.29Å; V104-P106 VanDerWaalsContact C-CD 3.46Å; V104-P106 VanDerWaalsContact C-N 3.33Å; P106-V108 PolarHBondContact O-N 2.87Å; P106-H109 PolarHBondContact O-N 3.16Å; P106-H109 VanDerWaalsContact O-N 3.12Å; P106-T163 HydrophobicContact CB-CG2 4.24Å; P106-T163 WeakPolarHBondContact CB-O 3.16Å; P106-T163 WeakPolarHBondContact CG-O 3.31Å
107C85.2Confident79.9Confident6 Ų672.8 Ų72.84%0.04139%0.392CS..G310 helixtrans-65.3-21179.6-66.50000112.3M91 V104 E105 H109 L110M91-C107 HydrophobicContact CG-CB 3.6Å; M91-C107 HydrophobicContact SD-CB 3.73Å; M91-C107 VanDerWaalsContact SD-SG 3.69Å; V104-C107 WeakPolarHBondContact O-CB 3.49Å; V104-C107 PolarHBondContact O-N 2.91Å; E105-C107 PolarHBondContact O-N 3.08Å; C107-H109 PolarHBondContact O-N 3.49Å; C107-L110 HydrophobicContact CB-CD1 4.39Å; C107-L110 WeakPolarHBondContact O-CB 3.18Å; C107-L110 PolarHBondContact O-N 3.46Å; C107-L110 VanDerWaalsContact O-N 3.16Å
108V82.9Confident80.9Confident110 Ų11068.5 Ų68.567%0.66738%0.376SS*.G310 helixtrans-67-18.2175.7-49.30000113.1E105 P106E105-V108 WeakPolarHBondContact O-CG1 3.15Å; E105-V108 WeakPolarHBondContact O-CG2 3.34Å; E105-V108 PolarHBondContact O-N 3.45Å; P106-V108 PolarHBondContact O-N 2.87Å
109H85.9Confident82.1Confident96 Ų9664.6 Ų64.644%0.44434%0.341SS..G310 helixtrans-87.4-9178.1-61.8-55.7000113.1P106 C107 T121P106-H109 PolarHBondContact O-N 3.16Å; P106-H109 VanDerWaalsContact O-N 3.12Å; C107-H109 PolarHBondContact O-N 3.49Å; H109-T121 HydrophobicContact CB-CG2 4.14Å
110L90.3Very high83.1Confident13 Ų1365.8 Ų65.87%0.06834%0.343CS..  trans-72.1147.1174.3-62.3179.8000110.9V84 Y87 V88 C107 P112 T121 M162V84-L110 HydrophobicContact CG1-CB 3.97Å; V84-L110 HydrophobicContact CG1-CD1 4.41Å; V84-L110 HydrophobicContact CG2-CD1 4.45Å; V84-L110 HydrophobicContact CG2-CD2 4.03Å; Y87-L110 HydrophobicContact CD2-CD1 4.19Å; V88-L110 HydrophobicContact CG2-CB 4.12Å; V88-L110 HydrophobicContact CG2-CD1 4.36Å; C107-L110 HydrophobicContact CB-CD1 4.39Å; C107-L110 WeakPolarHBondContact O-CB 3.18Å; C107-L110 PolarHBondContact O-N 3.46Å; C107-L110 VanDerWaalsContact O-N 3.16Å; L110-P112 WeakPolarHBondContact O-CD 3.46Å; L110-T121 HydrophobicContact CD2-CG2 4.02Å; L110-M162 HydrophobicContact CD2-CB 4.14Å; L110-M162 HydrophobicContact CD2-CG 4.43Å; L110-M162 WeakPolarHBondContact CD2-O 3.47Å
111K88.9Confident84Confident101 Ų10164.4 Ų64.444%0.43934%0.337SS..  trans-125.873.9-173-62.3169.9-170.1164.10109.8H113 N114 A118K111-H113 PolarHBondContact O-N 3.22Å; K111-N114 HydrophobicContact CB-CB 3.72Å; K111-N114 PolarHBondContact O-N 2.9Å; K111-A118 PolarHBondContact N-O 3.39Å; K111-A118 VanDerWaalsContact O-CA 3.3Å; K111-A118 WeakPolarHBondContact O-CA 3.4Å; K111-A118 VanDerWaalsContact O-CB 3.32Å; K111-A118 WeakPolarHBondContact O-CB 3.22Å
112P86.9Confident84.7Confident53 Ų5365.1 Ų65.134%0.34434%0.342SS..THydrogen-bonded Turntrans-59.8-21.5-17425.4-35.8000113.5V84 V88 L110V84-P112 HydrophobicContact CG1-CB 4.08Å; V88-P112 HydrophobicContact CG1-CG 4.34Å; V88-P112 HydrophobicContact CG2-CG 4.11Å; L110-P112 WeakPolarHBondContact O-CD 3.46Å
113H85.8Confident85.5Confident190 Ų19065.8 Ų65.888%0.8834%0.336SS*.THydrogen-bonded Turntrans-92.6-0.3177-53.8-53.9000114.3K111K111-H113 PolarHBondContact O-N 3.22Å
114N87.1Confident86.4Confident59 Ų5967.8 Ų67.832%0.31635%0.347SS..  trans-10397.1177.7-173.8-29.1000110.6K111 L116 L117 A118K111-N114 HydrophobicContact CB-CB 3.72Å; K111-N114 PolarHBondContact O-N 2.9Å; N114-L116 PolarHBondContact O-N 3.26Å; N114-L116 VanDerWaalsContact O-N 3.12Å; N114-L116 PolarHBondContact OD1-N 2.95Å; N114-L117 PolarHBondContact O-N 2.85Å; N114-L117 PolarHBondContact OD1-N 3.01Å; N114-L117 VanDerWaalsContact OD1-N 3.1Å; N114-A118 VanDerWaalsContact O-CA 3.32Å; N114-A118 WeakPolarHBondContact O-CA 3.31Å; N114-A118 WeakPolarHBondContact O-CB 3.26Å; N114-A118 PolarHBondContact O-N 3.41Å
115F82.1Confident87.1Confident132 Ų13273.4 Ų73.458%0.57937%0.37SS*.THydrogen-bonded Turntrans-56.9-32-173.1-170-96.5000115.3R81R81-F115 VanDerWaalsContact CZ-CZ 3.42Å; R81-F115 PolarHBondContact NH1-O 3.39Å
116L81.4Confident87.5Confident131 Ų13175.9 Ų75.969%0.68638%0.379SS*.THydrogen-bonded Turntrans-92.6-26.9-175.4-66.7175.5000113.6N114N114-L116 PolarHBondContact O-N 3.26Å; N114-L116 VanDerWaalsContact O-N 3.12Å; N114-L116 PolarHBondContact OD1-N 2.95Å
117L84.3Confident87.9Confident83 Ų8375.4 Ų75.444%0.43538%0.376SS..THydrogen-bonded Turntrans-130.925.2-171.2-62.6174.7000112.8N114 W119 H120N114-L117 PolarHBondContact O-N 2.85Å; N114-L117 PolarHBondContact OD1-N 3.01Å; N114-L117 VanDerWaalsContact OD1-N 3.1Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 3.25Å; L117-H120 HydrophobicContact CB-CB 4.39Å; L117-H120 HydrophobicContact CD2-CB 4.23Å; L117-H120 PolarHBondContact O-N 2.99Å
118A86.1Confident88.4Confident2 Ų275.7 Ų75.72%0.01738%0.378CS..THydrogen-bonded Turntrans-58.9-40.6-170.400000113.1R81 V84 K111 N114R81-A118 HydrophobicContact CG-CB 4.46Å; V84-A118 HydrophobicContact CB-CB 4.47Å; V84-A118 HydrophobicContact CG1-CB 4.21Å; V84-A118 HydrophobicContact CG2-CB 4.42Å; K111-A118 PolarHBondContact N-O 3.39Å; K111-A118 VanDerWaalsContact O-CA 3.3Å; K111-A118 WeakPolarHBondContact O-CA 3.4Å; K111-A118 VanDerWaalsContact O-CB 3.32Å; K111-A118 WeakPolarHBondContact O-CB 3.22Å; N114-A118 VanDerWaalsContact O-CA 3.32Å; N114-A118 WeakPolarHBondContact O-CA 3.31Å; N114-A118 WeakPolarHBondContact O-CB 3.26Å; N114-A118 PolarHBondContact O-N 3.41Å
119W91Very high88.9Confident14 Ų1471 Ų715%0.05335%0.353CS..THydrogen-bonded Turntrans-98.8-5.5-17660.396.9000113.9E77 Y80 R81 V84 L117 T121 M162E77-W119 HydrophobicContact CB-CH2 3.88Å; E77-W119 HydrophobicContact CB-CZ2 4.42Å; E77-W119 HydrophobicContact CG-CH2 4.04Å; E77-W119 HydrophobicContact CG-CZ2 4.2Å; Y80-W119 VanDerWaalsContact CB-CD2 3.43Å; Y80-W119 HydrophobicContact CD2-CD2 4.14Å; Y80-W119 AromaticContact CD2-CE2 3.6Å; Y80-W119 AromaticContact CD2-CZ2 3.83Å; Y80-W119 HydrophobicContact CD2-CZ2 3.83Å; Y80-W119 AromaticContact CD2-NE1 3.64Å; Y80-W119 HydrophobicContact CG-CD2 4.19Å; Y80-W119 HydrophobicContact CG-CG 4.38Å; R81-W119 HydrophobicContact CG-CE3 4.19Å; R81-W119 HydrophobicContact CG-CZ3 3.66Å; V84-W119 HydrophobicContact CG2-CB 3.58Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 3.25Å; W119-T121 PolarHBondContact O-N 2.89Å; W119-M162 HydrophobicContact CB-CE 3.51Å; W119-M162 HydrophobicContact CB-CG 3.7Å; W119-M162 HydrophobicContact CB-SD 4.2Å; W119-M162 HydrophobicContact CG-CE 4.05Å
120H90.3Very high89.4Confident63 Ų6367 Ų6729%0.29233%0.334SS..  trans-80.7111.7-179.3-76.4-76.1000111.2L117L117-H120 HydrophobicContact CB-CB 4.39Å; L117-H120 HydrophobicContact CD2-CB 4.23Å; L117-H120 PolarHBondContact O-N 2.99Å
121T90.7Very high89.6Confident21 Ų2166.6 Ų66.613%0.12933%0.334CS..  trans-108.2152.1174.858.40000110.7H109 L110 W119 R161 M162 N165H109-T121 HydrophobicContact CB-CG2 4.14Å; L110-T121 HydrophobicContact CD2-CG2 4.02Å; W119-T121 PolarHBondContact O-N 2.89Å; T121-R161 PolarHBondContact OG1-O 3.49Å; T121-M162 VanDerWaalsContact CG2-O 3.3Å; T121-M162 WeakPolarHBondContact CG2-O 3.22Å; T121-N165 PolarHBondContact O-ND2 3.43Å
122P90.3Very high90Very high89 Ų8961.8 Ų61.858%0.57831%0.313SS*.  trans-66.8164.1172.330.4-35.5000111.1N165P122-N165 WeakPolarHBondContact O-CB 3.44Å; P122-N165 PolarHBondContact O-ND2 3.04Å
123F93.1Very high90.5Very high43 Ų4359.3 Ų59.319%0.18930%0.296CS..  trans-55.5140.8167.3175.9-105.1000109.7E125 N165 H166 E216 Y217F123-E125 HydrophobicContact CD1-CG 4.46Å; F123-E125 HydrophobicContact CE1-CG 3.64Å; F123-E125 HydrophobicContact CZ-CG 4.34Å; F123-N165 VanDerWaalsContact CD2-O 3.28Å; F123-N165 WeakPolarHBondContact CD2-O 3.48Å; F123-N165 PolarHBondContact N-ND2 2.83Å; F123-H166 AromaticContact CE2-CD2 3.92Å; F123-H166 AromaticContact CZ-CD2 3.84Å; F123-E216 HydrophobicContact CD1-CB 4.23Å; F123-E216 HydrophobicContact CE1-CB 4.49Å; F123-E216 HydrophobicContact CG-CB 4.27Å; F123-Y217 HydrophobicContact CB-CE2 4.07Å; F123-Y217 HydrophobicContact CD2-CD1 4.14Å; F123-Y217 HydrophobicContact CD2-CD2 4.28Å; F123-Y217 AromaticContact CD2-CE1 3.78Å; F123-Y217 HydrophobicContact CD2-CE1 3.78Å; F123-Y217 AromaticContact CD2-CE2 3.9Å; F123-Y217 HydrophobicContact CD2-CE2 3.9Å; F123-Y217 HydrophobicContact CD2-CG 4.37Å; F123-Y217 AromaticContact CD2-CZ 3.65Å; F123-Y217 HydrophobicContact CE2-CD1 4.46Å; F123-Y217 HydrophobicContact CE2-CE1 4.49Å; F123-Y217 HydrophobicContact CG-CE2 4.28Å
124N90.9Very high91.1Very high48 Ų4850.3 Ų50.326%0.25726%0.255SS..  trans-134.8110-179.3-179.65.2000110.2K126 G127 N165 H166N124-K126 PolarHBondContact O-N 3.25Å; N124-K126 VanDerWaalsContact O-N 3.13Å; N124-K126 WeakPolarHBondContact OD1-CB 3.34Å; N124-K126 PolarHBondContact OD1-N 3.03Å; N124-G127 WeakPolarHBondContact O-CA 3.32Å; N124-G127 PolarHBondContact O-N 3.34Å; N124-N165 PolarHBondContact N-O 3Å; N124-H166 PolarHBondContact O-CD2 3.01Å
125E90.9Very high91.6Very high156 Ų15647.6 Ų47.673%0.72924%0.24SC*.THydrogen-bonded Turntrans-55.1-30.6175.8-68.9-177.7171.100113F123 G127F123-E125 HydrophobicContact CD1-CG 4.46Å; F123-E125 HydrophobicContact CE1-CG 3.64Å; F123-E125 HydrophobicContact CZ-CG 4.34Å; E125-G127 VanDerWaalsContact C-N 3.33Å
126K89.9Confident92.4Very high171 Ų17141.3 Ų41.374%0.74321%0.213SC*.THydrogen-bonded Turntrans-85.1-7177.1-60.5-177.7-178.4178.70113.3N124 S128N124-K126 PolarHBondContact O-N 3.25Å; N124-K126 VanDerWaalsContact O-N 3.13Å; N124-K126 WeakPolarHBondContact OD1-CB 3.34Å; N124-K126 PolarHBondContact OD1-N 3.03Å; K126-S128 PolarHBondContact O-N 3.23Å
127G92.6Very high93.2Very high2 Ų235 Ų352%0.02118%0.18CC..THydrogen-bonded Turntrans-75.117.8-175.600000115.1N124 E125 H164 H166N124-G127 WeakPolarHBondContact O-CA 3.32Å; N124-G127 PolarHBondContact O-N 3.34Å; E125-G127 VanDerWaalsContact C-N 3.33Å; G127-H164 CarbonylContact O-C 3.54Å; G127-H164 VanDerWaalsContact O-CA 3.27Å; G127-H164 WeakPolarHBondContact O-CA 3.44Å; G127-H164 WeakPolarHBondContact O-CB 3.41Å; G127-H164 PolarHBondContact O-CD2 3.25Å; G127-H166 VanDerWaalsContact C-CB 3.45Å; G127-H166 WeakPolarHBondContact O-CB 3.48Å
128S94.8Very high93.9Very high12 Ų1231.1 Ų31.18%0.08416%0.159CC..THydrogen-bonded Turntrans-87.60-176.753.90000114.6K126 R272 G273K126-S128 PolarHBondContact O-N 3.23Å; S128-R272 VanDerWaalsContact O-CA 3.27Å; S128-R272 WeakPolarHBondContact O-CA 3.49Å; S128-R272 WeakPolarHBondContact O-CB 3.46Å; S128-R272 WeakPolarHBondContact O-CD 3.11Å; S128-R272 PolarHBondContact OG-NH1 3.46Å; S128-G273 PolarHBondContact O-N 3.47Å
129G94.6Very high94.5Very high13 Ų1331 Ų3113%0.13416%0.159CC..BIsolated β-bridgetrans-60.2163.7-177.400000115.2G131 H164 R271 G273G129-G131 PolarHBondContact O-N 3.43Å; G129-H164 PolarHBondContact O-CD2 2.83Å; G129-R271 WeakPolarHBondContact CA-O 3.05Å; G129-G273 PolarHBondContact O-N 3.06Å
130F95.2Very high94.9Very high10 Ų1030.3 Ų30.34%0.04416%0.156CC..G310 helixtrans-69.5-17.2179.770.3-100.7000113.9A58 A132 A133 A134 G270 R271 A276 E304 E306 A307A58-F130 HydrophobicContact CB-CE2 4.36Å; F130-A132 PolarHBondContact O-N 3.26Å; F130-A133 WeakPolarHBondContact O-CA 3.43Å; F130-A133 WeakPolarHBondContact O-CB 3.43Å; F130-A133 PolarHBondContact O-N 2.96Å; F130-A134 HydrophobicContact CD2-CB 3.91Å; F130-A134 HydrophobicContact CE2-CB 4.34Å; F130-A134 PolarHBondContact O-N 3.4Å; F130-G270 WeakPolarHBondContact CB-O 3.42Å; F130-R271 PolarHBondContact N-O 2.87Å; F130-A276 HydrophobicContact CB-CB 3.76Å; F130-E304 HydrophobicContact CD1-CB 4.36Å; F130-E304 HydrophobicContact CD1-CG 4.17Å; F130-E304 HydrophobicContact CE1-CB 4.22Å; F130-E304 HydrophobicContact CE1-CG 4.01Å; F130-E306 VanDerWaalsContact CZ-OE1 3.3Å; F130-E306 WeakPolarHBondContact CZ-OE1 3.25Å; F130-A307 HydrophobicContact CB-CB 4.21Å; F130-A307 HydrophobicContact CD1-CB 4.11Å; F130-A307 HydrophobicContact CD2-CB 3.29Å; F130-A307 HydrophobicContact CE1-CB 4.29Å; F130-A307 HydrophobicContact CE2-CB 3.55Å; F130-A307 HydrophobicContact CG-CB 3.61Å; F130-A307 HydrophobicContact CZ-CB 4.03Å
131G95.4Very high95.3Very high6 Ų627.3 Ų27.36%0.06214%0.142CC..G310 helixtrans-58.3-24.6-171.100000114.2G129 K135 H164G129-G131 PolarHBondContact O-N 3.43Å; G131-K135 VanDerWaalsContact O-CD 3.31Å; G131-K135 WeakPolarHBondContact O-CD 3.03Å; G131-K135 WeakPolarHBondContact O-CE 3.5Å; G131-K135 VanDerWaalsContact O-CG 3.28Å; G131-K135 WeakPolarHBondContact O-CG 3.34Å; G131-H164 PolarHBondContact N-NE2 3.33Å
132A96.6Very high95.6Very high0 Ų026.9 Ų26.90%014%0.138CC..G310 helixtrans-71.3-43.2169.100000113.6F130 H164 G169 S173F130-A132 PolarHBondContact O-N 3.26Å; A132-H164 HydrophobicContact CB-CB 3.59Å; A132-H164 PolarHBondContact N-CE1 3.48Å; A132-G169 WeakPolarHBondContact CB-O 3.26Å; A132-S173 WeakPolarHBondContact O-CB 3.07Å
133A98.2Very high96Very high0 Ų022.7 Ų22.70%011%0.111CC..THydrogen-bonded Turntrans-66.1-44.9177.300000111.5F130 K135 A136 M137 G172 T176 P277 I311F130-A133 WeakPolarHBondContact O-CA 3.43Å; F130-A133 WeakPolarHBondContact O-CB 3.43Å; F130-A133 PolarHBondContact O-N 2.96Å; A133-K135 PolarHBondContact O-N 3.07Å; A133-K135 VanDerWaalsContact O-N 3.08Å; A133-A136 PolarHBondContact O-N 3.15Å; A133-M137 VanDerWaalsContact O-SD 3.41Å; A133-G172 WeakPolarHBondContact CB-O 3.3Å; A133-T176 HydrophobicContact CB-CG2 3.89Å; A133-T176 WeakPolarHBondContact O-CG2 3.49Å; A133-T176 PolarHBondContact O-OG1 3.46Å; A133-P277 HydrophobicContact CB-CG 4.48Å; A133-I311 HydrophobicContact CB-CD1 4.18Å
134A97.3Very high96.2Very high1 Ų123.5 Ų23.51%0.00811%0.113CC..THydrogen-bonded Turntrans-62.6-18.6-175.900000114.6A58 F130 M137 L310A58-A134 HydrophobicContact CB-CB 4.19Å; F130-A134 HydrophobicContact CD2-CB 3.91Å; F130-A134 HydrophobicContact CE2-CB 4.34Å; F130-A134 PolarHBondContact O-N 3.4Å; A134-M137 VanDerWaalsContact O-CE 3.3Å; A134-M137 WeakPolarHBondContact O-CE 3.4Å; A134-L310 HydrophobicContact CB-CD2 4.03Å; A134-L310 WeakPolarHBondContact O-CD2 3.39Å
135K97.7Very high96.5Very high2 Ų222.1 Ų22.11%0.00911%0.105CC..THydrogen-bonded Turntrans-112.28.8-176.172.5-171.2173.4-177.70115.3M61 H62 T65 Y87 G131 A133 T163M61-K135 HydrophobicContact CB-CB 4.15Å; M61-K135 HydrophobicContact CB-CD 4.08Å; M61-K135 HydrophobicContact CE-CD 4.36Å; H62-K135 HydrophobicContact CB-CB 4.39Å; T65-K135 VanDerWaalsContact CB-O 3.29Å; T65-K135 WeakPolarHBondContact CB-O 3.26Å; T65-K135 WeakPolarHBondContact CG2-O 3.39Å; T65-K135 PolarHBondContact OG1-O 3.07Å; Y87-K135 WeakPolarHBondContact OH-CD 3.39Å; Y87-K135 WeakPolarHBondContact OH-CE 3.26Å; G131-K135 VanDerWaalsContact O-CD 3.31Å; G131-K135 WeakPolarHBondContact O-CD 3.03Å; G131-K135 WeakPolarHBondContact O-CE 3.5Å; G131-K135 VanDerWaalsContact O-CG 3.28Å; G131-K135 WeakPolarHBondContact O-CG 3.34Å; A133-K135 PolarHBondContact O-N 3.07Å; A133-K135 VanDerWaalsContact O-N 3.08Å; K135-T163 PolarHBondContact NZ-OG1 3.4Å
136A98.7Very high96.7Very high0 Ų018.2 Ų18.20%09%0.093CC..  trans-112-7.7-168.900000115.4A133 C138 V139 S173 A177A133-A136 PolarHBondContact O-N 3.15Å; A136-C138 PolarHBondContact O-N 3.49Å; A136-C138 VanDerWaalsContact O-N 3.13Å; A136-V139 VanDerWaalsContact O-CB 3.24Å; A136-V139 WeakPolarHBondContact O-CB 3.49Å; A136-V139 WeakPolarHBondContact O-CG2 3.32Å; A136-V139 PolarHBondContact O-N 2.86Å; A136-S173 WeakPolarHBondContact CB-O 3.5Å; A136-S173 WeakPolarHBondContact CB-OG 3.27Å; A136-A177 WeakPolarHBondContact O-CB 3.37Å
137M98.9Very high97Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-55.3-35.6177.4-62.578.173.800112.6A133 A134 V139 G140 M141 T176 A180 L310 I311 C314A133-M137 VanDerWaalsContact O-SD 3.41Å; A134-M137 VanDerWaalsContact O-CE 3.3Å; A134-M137 WeakPolarHBondContact O-CE 3.4Å; M137-V139 PolarHBondContact O-N 3.06Å; M137-G140 WeakPolarHBondContact O-CA 3.36Å; M137-G140 PolarHBondContact O-N 3.45Å; M137-G140 VanDerWaalsContact O-N 3.07Å; M137-M141 WeakPolarHBondContact O-CG 3.5Å; M137-M141 PolarHBondContact O-N 3.43Å; M137-T176 HydrophobicContact SD-CG2 4.23Å; M137-A180 HydrophobicContact CB-CB 4.16Å; M137-A180 VanDerWaalsContact O-CB 3.31Å; M137-A180 WeakPolarHBondContact O-CB 3.36Å; M137-L310 HydrophobicContact CE-CD1 4.08Å; M137-L310 HydrophobicContact CE-CG 3.83Å; M137-I311 HydrophobicContact CE-CG1 4.42Å; M137-I311 HydrophobicContact SD-CG1 3.93Å; M137-C314 VanDerWaalsContact CB-SG 3.57Å; M137-C314 HydrophobicContact CE-CB 4.02Å; M137-C314 HydrophobicContact CG-CB 4.27Å
138C98.9Very high97.2Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-66.1-23.8178.354.40000113.4H62 T65 A66 L69 A136 G140 M141 R142 L346H62-C138 VanDerWaalsContact CD2-SG 3.53Å; H62-C138 PolarHBondContact NE2-N 3.2Å; T65-C138 VanDerWaalsContact CG2-SG 3.54Å; A66-C138 HydrophobicContact CB-CB 4.01Å; L69-C138 HydrophobicContact CD1-CB 4.06Å; A136-C138 PolarHBondContact O-N 3.49Å; A136-C138 VanDerWaalsContact O-N 3.13Å; C138-G140 VanDerWaalsContact C-N 3.34Å; C138-M141 HydrophobicContact CB-SD 4.41Å; C138-M141 WeakPolarHBondContact O-CB 3.37Å; C138-M141 PolarHBondContact O-N 3.15Å; C138-R142 WeakPolarHBondContact O-CB 3.49Å; C138-R142 PolarHBondContact O-N 2.83Å; C138-L346 HydrophobicContact CB-CD1 3.78Å; C138-L346 HydrophobicContact CB-CD2 4.46Å
139V98.9Very high97.4Very high0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-64.3-44170.7-177.40000109.8T65 L69 A136 M137 M141 R142 Y143 V155 I159 A177T65-V139 HydrophobicContact CG2-CG2 4.32Å; L69-V139 HydrophobicContact CD1-CB 4.49Å; L69-V139 HydrophobicContact CD1-CG2 4.01Å; A136-V139 VanDerWaalsContact O-CB 3.24Å; A136-V139 WeakPolarHBondContact O-CB 3.49Å; A136-V139 WeakPolarHBondContact O-CG2 3.32Å; A136-V139 PolarHBondContact O-N 2.86Å; M137-V139 PolarHBondContact O-N 3.06Å; V139-M141 VanDerWaalsContact C-N 3.29Å; V139-M141 PolarHBondContact O-N 3.19Å; V139-R142 PolarHBondContact O-N 3.02Å; V139-R142 VanDerWaalsContact O-N 3.1Å; V139-Y143 HydrophobicContact CG1-CD2 3.88Å; V139-Y143 HydrophobicContact CG1-CE2 4.24Å; V139-Y143 PolarHBondContact O-N 2.72Å; V139-V155 HydrophobicContact CG1-CB 4.03Å; V139-V155 HydrophobicContact CG1-CG1 3.85Å; V139-V155 HydrophobicContact CG2-CG1 4.41Å; V139-I159 HydrophobicContact CG2-CD1 3.47Å; V139-I159 VanDerWaalsContact CG2-CD1 3.47Å; V139-A177 HydrophobicContact CB-CB 4Å; V139-A177 HydrophobicContact CG1-CB 4.33Å
140G98.8Very high97.5Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-61.8-36.3173.300000113.4M137 C138 R142 W144 A177M137-G140 WeakPolarHBondContact O-CA 3.36Å; M137-G140 PolarHBondContact O-N 3.45Å; M137-G140 VanDerWaalsContact O-N 3.07Å; C138-G140 VanDerWaalsContact C-N 3.34Å; G140-R142 VanDerWaalsContact C-N 3.33Å; G140-W144 WeakPolarHBondContact O-CA 3.45Å; G140-W144 WeakPolarHBondContact O-CB 3.34Å; G140-W144 PolarHBondContact O-N 3.43Å; G140-A177 WeakPolarHBondContact CA-O 3.38Å
141M98.7Very high97.7Very high0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-67.2-34.4173-61.3168.163.500112.1F4 A7 M8 M137 C138 V139 I184 L318 L346F4-M141 HydrophobicContact CB-CE 3.68Å; F4-M141 HydrophobicContact CD1-CB 4.11Å; F4-M141 HydrophobicContact CD1-CE 3.53Å; F4-M141 HydrophobicContact CE1-CB 3.77Å; F4-M141 HydrophobicContact CE1-CE 4.33Å; F4-M141 VanDerWaalsContact CE1-O 3.27Å; F4-M141 WeakPolarHBondContact CE1-O 3.48Å; F4-M141 HydrophobicContact CG-CE 3.72Å; F4-M141 HydrophobicContact CZ-CB 4.36Å; F4-M141 WeakPolarHBondContact CZ-O 3.46Å; A7-M141 HydrophobicContact CB-CE 4.13Å; A7-M141 HydrophobicContact CB-SD 4.24Å; M8-M141 HydrophobicContact CG-CE 4.23Å; M8-M141 HydrophobicContact SD-CE 4.17Å; M8-M141 HydrophobicContact SD-SD 4.12Å; M137-M141 WeakPolarHBondContact O-CG 3.5Å; M137-M141 PolarHBondContact O-N 3.43Å; C138-M141 HydrophobicContact CB-SD 4.41Å; C138-M141 WeakPolarHBondContact O-CB 3.37Å; C138-M141 PolarHBondContact O-N 3.15Å; V139-M141 VanDerWaalsContact C-N 3.29Å; V139-M141 PolarHBondContact O-N 3.19Å; M141-I184 HydrophobicContact CB-CD1 4.2Å; M141-I184 HydrophobicContact CG-CD1 4.07Å; M141-L318 HydrophobicContact CE-CD2 4.4Å; M141-L318 HydrophobicContact CG-CD1 4.21Å; M141-L318 HydrophobicContact CG-CD2 4.15Å; M141-L318 HydrophobicContact SD-CD2 4.46Å; M141-L346 HydrophobicContact CE-CD1 3.84Å; M141-L346 HydrophobicContact SD-CD1 4.24Å
142R98.1Very high97.8Very high12 Ų1225.9 Ų25.95%0.04513%0.129CC..Hα-helixtrans-77.7-38.2-178.2-177.758.5177.5810.5113.8L69 Y73 C138 V139 G140 L346 A350 E353L69-R142 HydrophobicContact CB-CG 4.38Å; L69-R142 HydrophobicContact CD1-CB 4.33Å; L69-R142 HydrophobicContact CD2-CB 4.44Å; L69-R142 HydrophobicContact CD2-CG 4.23Å; L69-R142 PolarHBondContact O-NE 3.46Å; Y73-R142 PolarHBondContact OH-NH2 2.74Å; Y73-R142 VanDerWaalsContact OH-NH2 3.11Å; C138-R142 WeakPolarHBondContact O-CB 3.49Å; C138-R142 PolarHBondContact O-N 2.83Å; V139-R142 PolarHBondContact O-N 3.02Å; V139-R142 VanDerWaalsContact O-N 3.1Å; G140-R142 VanDerWaalsContact C-N 3.33Å; R142-L346 HydrophobicContact CB-CD2 4.33Å; R142-A350 WeakPolarHBondContact O-CB 3.44Å; R142-E353 IonicContact CZ-OE1 3.17Å; R142-E353 IonicContact CZ-OE2 2.73Å; R142-E353 IonicContact NH1-OE1 3.38Å; R142-E353 IonicContact NH1-OE2 3.74Å; R142-E353 PolarHBondContact NH1-OE2 3.37Å; R142-E353 IonicContact NH2-OE1 3.87Å; R142-E353 PolarHBondContact NH2-OE1 2.97Å; R142-E353 IonicContact NH2-OE2 2.72Å; R142-E353 PolarHBondContact NH2-OE2 2.94Å
143Y97.9Very high97.9Very high1 Ų126.1 Ų26.10%0.00413%0.13CC..THydrogen-bonded Turntrans-120.148-177-53-65.5000111L69 Y73 V139 Q145 R148 N151 V155L69-Y143 HydrophobicContact CD2-CE2 4.18Å; Y73-Y143 PolarHBondContact OH-OH 2.87Å; V139-Y143 HydrophobicContact CG1-CD2 3.88Å; V139-Y143 HydrophobicContact CG1-CE2 4.24Å; V139-Y143 PolarHBondContact O-N 2.72Å; Y143-Q145 VanDerWaalsContact C-N 3.3Å; Y143-Q145 PolarHBondContact O-N 3.43Å; Y143-R148 VanDerWaalsContact CE1-NH2 3.28Å; Y143-N151 HydrophobicContact CD1-CB 3.95Å; Y143-N151 HydrophobicContact CE1-CB 4.31Å; Y143-N151 HydrophobicContact CG-CB 4.07Å; Y143-V155 HydrophobicContact CD2-CB 4.44Å; Y143-V155 HydrophobicContact CE2-CB 3.89Å; Y143-V155 HydrophobicContact CE2-CG1 3.9Å; Y143-V155 HydrophobicContact CE2-CG2 3.77Å
144W97.8Very high98Very high59 Ų5928.7 Ų28.722%0.22314%0.142CC..  trans-74.7-19.7-171.167.2-91.4000113.9G140 I184 Q185G140-W144 WeakPolarHBondContact O-CA 3.45Å; G140-W144 WeakPolarHBondContact O-CB 3.34Å; G140-W144 PolarHBondContact O-N 3.43Å; W144-I184 HydrophobicContact CB-CB 4.12Å; W144-I184 HydrophobicContact CB-CD1 3.8Å; W144-I184 HydrophobicContact CB-CG2 4.01Å; W144-I184 HydrophobicContact CD2-CG2 3.55Å; W144-I184 HydrophobicContact CE3-CG2 3.7Å; W144-I184 HydrophobicContact CG-CB 4.36Å; W144-I184 HydrophobicContact CG-CD1 4.28Å; W144-I184 HydrophobicContact CG-CG2 3.69Å; W144-I184 HydrophobicContact CZ3-CG2 4.4Å; W144-Q185 HydrophobicContact CE3-CG 3.98Å; W144-Q185 HydrophobicContact CZ3-CG 4.4Å; W144-Q185 PolarHBondContact O-NE2 3.06Å
145Q96.4Very high98Very high20 Ų2028.7 Ų28.79%0.09314%0.142CC..SBendtrans-70.6140.9-174.5-59.986.7-15.300111.2Y143 E147 R148 A350Y143-Q145 VanDerWaalsContact C-N 3.3Å; Y143-Q145 PolarHBondContact O-N 3.43Å; Q145-E147 PolarHBondContact O-N 3.33Å; Q145-E147 VanDerWaalsContact O-N 3.16Å; Q145-R148 HydrophobicContact CB-CB 4.47Å; Q145-R148 HydrophobicContact CB-CG 4.17Å; Q145-R148 PolarHBondContact O-N 3.21Å; Q145-A350 PolarHBondContact NE2-O 3.25Å
146P96.3Very high98.1Very high74 Ų7428.6 Ų28.648%0.48114%0.141SC..G310 helixtrans-53.7-35.8178.5-27.535.7000114.2R148 L149P146-R148 PolarHBondContact O-N 3.34Å; P146-L149 WeakPolarHBondContact O-CB 3.48Å; P146-L149 PolarHBondContact O-N 2.8Å
147E96.3Very high98.1Very high153 Ų15328.6 Ų28.672%0.71514%0.141SC*.G310 helixtrans-70.2-18.3-179.8-57.273.3-155.500112.4Q145Q145-E147 PolarHBondContact O-N 3.33Å; Q145-E147 VanDerWaalsContact O-N 3.16Å
148R96.5Very high98Very high38 Ų3828.7 Ų28.714%0.14314%0.142CC..G310 helixtrans-10014.6-179.8-59.6-64.3-66.1-99.8-15.1112.7Y143 Q145 P146 D150 N151 L152 E353Y143-R148 VanDerWaalsContact CE1-NH2 3.28Å; Q145-R148 HydrophobicContact CB-CB 4.47Å; Q145-R148 HydrophobicContact CB-CG 4.17Å; Q145-R148 PolarHBondContact O-N 3.21Å; P146-R148 PolarHBondContact O-N 3.34Å; R148-D150 VanDerWaalsContact C-N 3.25Å; R148-D150 PolarHBondContact O-N 3.44Å; R148-N151 PolarHBondContact NE-OD1 2.68Å; R148-N151 WeakPolarHBondContact O-CB 3.3Å; R148-N151 PolarHBondContact O-N 2.98Å; R148-N151 VanDerWaalsContact O-N 3.12Å; R148-L152 PolarHBondContact O-N 3.04Å; R148-E353 IonicContact CZ-OE2 2.87Å; R148-E353 IonicContact NH1-OE2 2.76Å; R148-E353 PolarHBondContact NH1-OE2 3.37Å; R148-E353 IonicContact NH2-OE2 3.63Å; R148-E353 PolarHBondContact NH2-OE2 2.87Å
149L98.3Very high98Very high33 Ų3328.7 Ų28.717%0.17314%0.142CC..Hα-helixtrans-56.1-38.8179.7178.258.7000112.5P146 L152 V153 L178 V199P146-L149 WeakPolarHBondContact O-CB 3.48Å; P146-L149 PolarHBondContact O-N 2.8Å; L149-L152 WeakPolarHBondContact O-CB 3.35Å; L149-L152 PolarHBondContact O-N 2.95Å; L149-V153 HydrophobicContact CD1-CG2 4.19Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.46Å; L149-L178 HydrophobicContact CD1-CD1 3.93Å; L149-V199 HydrophobicContact CD1-CG1 4.28Å; L149-V199 HydrophobicContact CD1-CG2 4.35Å; L149-V199 HydrophobicContact CD2-CG2 4.36Å
150D97.9Very high97.9Very high106 Ų10628.7 Ų28.757%0.56714%0.142SC*.Hα-helixtrans-67.3-38.9179.6-65.9-15.8000111.3R148 V153 E154 R202R148-D150 VanDerWaalsContact C-N 3.25Å; R148-D150 PolarHBondContact O-N 3.44Å; D150-V153 PolarHBondContact O-N 3.41Å; D150-E154 WeakPolarHBondContact O-CB 3.4Å; D150-E154 PolarHBondContact O-N 2.98Å; D150-R202 IonicContact OD1-NH1 2.72Å
151N97.9Very high97.8Very high44 Ų4429.3 Ų29.324%0.23514%0.144CC..Hα-helixtrans-64-41.9171.2-64.8106.2000112Y143 R148 V153 E154 V155Y143-N151 HydrophobicContact CD1-CB 3.95Å; Y143-N151 HydrophobicContact CE1-CB 4.31Å; Y143-N151 HydrophobicContact CG-CB 4.07Å; R148-N151 PolarHBondContact NE-OD1 2.68Å; R148-N151 WeakPolarHBondContact O-CB 3.3Å; R148-N151 PolarHBondContact O-N 2.98Å; R148-N151 VanDerWaalsContact O-N 3.12Å; N151-V153 VanDerWaalsContact C-N 3.34Å; N151-V153 PolarHBondContact O-N 3.13Å; N151-E154 PolarHBondContact O-N 3.47Å; N151-V155 VanDerWaalsContact O-CB 3.28Å; N151-V155 WeakPolarHBondContact O-CB 3.29Å; N151-V155 VanDerWaalsContact O-CG2 3.26Å; N151-V155 WeakPolarHBondContact O-CG2 3.36Å; N151-V155 PolarHBondContact O-N 3.31Å
152L98.8Very high97.6Very high1 Ų129.3 Ų29.31%0.00514%0.144CC..Hα-helixtrans-59.4-47.4176.7-176.9156.8000110.4R148 L149 S156 L174 A177 L178 S181R148-L152 PolarHBondContact O-N 3.04Å; L149-L152 WeakPolarHBondContact O-CB 3.35Å; L149-L152 PolarHBondContact O-N 2.95Å; L152-S156 WeakPolarHBondContact O-CB 3.26Å; L152-S156 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-OG 3.36Å; L152-L174 HydrophobicContact CD2-CD1 3.91Å; L152-A177 HydrophobicContact CD2-CB 4.16Å; L152-A177 HydrophobicContact CG-CB 4.34Å; L152-L178 HydrophobicContact CD2-CB 4.27Å; L152-L178 HydrophobicContact CD2-CD1 4.22Å; L152-S181 WeakPolarHBondContact CD1-OG 3.25Å
153V98.9Very high97.4Very high5 Ų528.9 Ų28.93%0.0314%0.143CC..Hα-helixtrans-60.3-55.7178.1169.70000110.2L149 D150 N151 V155 S156 I157 L174 V199 A203L149-V153 HydrophobicContact CD1-CG2 4.19Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.46Å; D150-V153 PolarHBondContact O-N 3.41Å; N151-V153 VanDerWaalsContact C-N 3.34Å; N151-V153 PolarHBondContact O-N 3.13Å; V153-V155 PolarHBondContact O-N 3.03Å; V153-S156 PolarHBondContact O-OG 2.73Å; V153-S156 VanDerWaalsContact O-OG 3.11Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CB 3.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.48Å; V153-I157 PolarHBondContact O-N 3.36Å; V153-L174 HydrophobicContact CB-CD1 4.46Å; V153-L174 HydrophobicContact CG2-CD1 3.99Å; V153-V199 HydrophobicContact CG2-CG1 3.7Å; V153-A203 HydrophobicContact CG1-CB 3.88Å
154E98.6Very high97.3Very high54 Ų5429 Ų2925%0.25214%0.144SC..Hα-helixtrans-58.2-53.2-178158.2157.9-166.600112.1L76 Y80 D150 N151 S156 I157 E158 Y206L76-E154 VanDerWaalsContact CD1-CD 3.49Å; L76-E154 HydrophobicContact CD1-CG 3.95Å; Y80-E154 WeakPolarHBondContact OH-CG 3.37Å; Y80-E154 PolarHBondContact OH-OE1 3.14Å; D150-E154 WeakPolarHBondContact O-CB 3.4Å; D150-E154 PolarHBondContact O-N 2.98Å; N151-E154 PolarHBondContact O-N 3.47Å; E154-S156 PolarHBondContact O-N 3.22Å; E154-I157 PolarHBondContact O-N 2.98Å; E154-E158 PolarHBondContact O-N 2.88Å; E154-Y206 HydrophobicContact CB-CD2 4.06Å; E154-Y206 HydrophobicContact CB-CE1 4.49Å; E154-Y206 HydrophobicContact CB-CE2 3.63Å; E154-Y206 VanDerWaalsContact CD-CE2 3.44Å; E154-Y206 HydrophobicContact CG-CD2 4.48Å; E154-Y206 HydrophobicContact CG-CE1 4.49Å; E154-Y206 HydrophobicContact CG-CE2 3.58Å; E154-Y206 WeakPolarHBondContact CG-OH 3.31Å; E154-Y206 PolarHBondContact OE1-OH 3.34Å
155V98.8Very high97.2Very high0 Ų026.3 Ų26.30%013%0.134CC..Hα-helixtrans-68.7-39-173.7176.90000111.5L69 L76 L79 Y80 V139 Y143 N151 V153 I159L69-V155 HydrophobicContact CD2-CG1 4.21Å; L76-V155 HydrophobicContact CD1-CG2 4.2Å; L76-V155 HydrophobicContact CD2-CG2 3.76Å; L79-V155 HydrophobicContact CD2-CG1 4.08Å; L79-V155 HydrophobicContact CD2-CG2 4.41Å; Y80-V155 HydrophobicContact CE1-CG1 4.5Å; Y80-V155 HydrophobicContact CE1-CG2 4.27Å; V139-V155 HydrophobicContact CG1-CB 4.03Å; V139-V155 HydrophobicContact CG1-CG1 3.85Å; V139-V155 HydrophobicContact CG2-CG1 4.41Å; Y143-V155 HydrophobicContact CD2-CB 4.44Å; Y143-V155 HydrophobicContact CE2-CB 3.89Å; Y143-V155 HydrophobicContact CE2-CG1 3.9Å; Y143-V155 HydrophobicContact CE2-CG2 3.77Å; N151-V155 VanDerWaalsContact O-CB 3.28Å; N151-V155 WeakPolarHBondContact O-CB 3.29Å; N151-V155 VanDerWaalsContact O-CG2 3.26Å; N151-V155 WeakPolarHBondContact O-CG2 3.36Å; N151-V155 PolarHBondContact O-N 3.31Å; V153-V155 PolarHBondContact O-N 3.03Å; V155-I159 HydrophobicContact CG1-CD1 3.52Å; V155-I159 HydrophobicContact CG1-CG1 4.28Å; V155-I159 VanDerWaalsContact O-CB 3.27Å; V155-I159 WeakPolarHBondContact O-CB 3.32Å; V155-I159 VanDerWaalsContact O-CG1 3.31Å; V155-I159 WeakPolarHBondContact O-CG1 3.42Å; V155-I159 PolarHBondContact O-N 3.08Å
156S98.8Very high97.2Very high0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-66.5-37.9176.5630000112.1L152 V153 E154 G160 S173 L174L152-S156 WeakPolarHBondContact O-CB 3.26Å; L152-S156 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-OG 3.36Å; V153-S156 PolarHBondContact O-OG 2.73Å; V153-S156 VanDerWaalsContact O-OG 3.11Å; E154-S156 PolarHBondContact O-N 3.22Å; S156-G160 PolarHBondContact O-N 3.19Å; S156-S173 WeakPolarHBondContact O-CB 3.47Å; S156-S173 PolarHBondContact O-OG 3.22Å; S156-L174 WeakPolarHBondContact OG-CA 3.48Å; S156-L174 WeakPolarHBondContact OG-CD1 3.08Å
157I98.6Very high97.3Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-66.5-48.4176.7-68.5-68.8000110.8V153 E154 G160 R161 F170 L171 L174 A203 Y206V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CB 3.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.48Å; V153-I157 PolarHBondContact O-N 3.36Å; E154-I157 PolarHBondContact O-N 2.98Å; I157-G160 PolarHBondContact O-N 2.93Å; I157-R161 HydrophobicContact CG2-CG 4.31Å; I157-R161 WeakPolarHBondContact O-CB 3.39Å; I157-R161 VanDerWaalsContact O-CG 3.24Å; I157-R161 WeakPolarHBondContact O-CG 3.38Å; I157-R161 PolarHBondContact O-N 2.96Å; I157-F170 HydrophobicContact CD1-CD2 3.47Å; I157-F170 VanDerWaalsContact CD1-CD2 3.47Å; I157-F170 HydrophobicContact CD1-CE2 3.94Å; I157-F170 HydrophobicContact CD1-CG 4.48Å; I157-F170 HydrophobicContact CG2-CD2 4.41Å; I157-L171 HydrophobicContact CD1-CD2 4.09Å; I157-L174 HydrophobicContact CD1-CB 4.17Å; I157-L174 HydrophobicContact CD1-CD2 4.41Å; I157-A203 HydrophobicContact CD1-CB 4.1Å; I157-A203 HydrophobicContact CG1-CB 4.33Å; I157-Y206 HydrophobicContact CB-CD1 4.3Å; I157-Y206 HydrophobicContact CB-CE1 4.31Å; I157-Y206 HydrophobicContact CG2-CD1 3.95Å; I157-Y206 HydrophobicContact CG2-CE1 3.95Å
158E98.1Very high97.4Very high3 Ų315.1 Ų15.11%0.0148%0.075CC..Hα-helixtrans-65.2-44.6179.9-69.8-59.9146.800111.9Y80 E154 G160 R161 M162 Y206Y80-E158 HydrophobicContact CD1-CB 4.33Å; Y80-E158 HydrophobicContact CE1-CB 3.87Å; Y80-E158 HydrophobicContact CE1-CG 4.36Å; Y80-E158 HydrophobicContact CE2-CB 4.4Å; Y80-E158 HydrophobicContact CE2-CG 4.09Å; E154-E158 PolarHBondContact O-N 2.88Å; E158-G160 VanDerWaalsContact C-N 3.27Å; E158-G160 PolarHBondContact O-N 2.83Å; E158-R161 PolarHBondContact O-N 2.89Å; E158-R161 VanDerWaalsContact O-N 3.17Å; E158-R161 IonicContact OE1-CZ 2.79Å; E158-R161 IonicContact OE1-NH1 2.81Å; E158-R161 PolarHBondContact OE1-NH1 3.26Å; E158-R161 IonicContact OE2-NH1 2.7Å; E158-M162 VanDerWaalsContact O-CG 3.3Å; E158-M162 WeakPolarHBondContact O-CG 3.21Å; E158-M162 PolarHBondContact O-N 3.45Å; E158-Y206 HydrophobicContact CG-CE1 4.17Å; E158-Y206 VanDerWaalsContact CG-OH 3.22Å; E158-Y206 WeakPolarHBondContact CG-OH 3.34Å; E158-Y206 WeakPolarHBondContact OE1-CE1 2.95Å; E158-Y206 PolarHBondContact OE1-OH 3.41Å; E158-Y206 VanDerWaalsContact OE1-OH 3.12Å
159I97.8Very high97.4Very high0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-58.2-39.9174.5-77.8169.5000111.9T65 V83 Y87 V139 V155T65-I159 HydrophobicContact CG2-CD1 3.78Å; T65-I159 HydrophobicContact CG2-CG2 4.18Å; V83-I159 HydrophobicContact CG1-CG1 4.46Å; V83-I159 HydrophobicContact CG2-CG1 4.46Å; Y87-I159 WeakPolarHBondContact OH-CG2 3.43Å; V139-I159 HydrophobicContact CG2-CD1 3.47Å; V139-I159 VanDerWaalsContact CG2-CD1 3.47Å; V155-I159 HydrophobicContact CG1-CD1 3.52Å; V155-I159 HydrophobicContact CG1-CG1 4.28Å; V155-I159 VanDerWaalsContact O-CB 3.27Å; V155-I159 WeakPolarHBondContact O-CB 3.32Å; V155-I159 VanDerWaalsContact O-CG1 3.31Å; V155-I159 WeakPolarHBondContact O-CG1 3.42Å; V155-I159 PolarHBondContact O-N 3.08Å
160G97.3Very high97.4Very high0 Ų011.7 Ų11.70%06%0.06CC..Hα-helixtrans-63.1-54.7173.700000111S156 I157 E158 M162 T163 H164S156-G160 PolarHBondContact O-N 3.19Å; I157-G160 PolarHBondContact O-N 2.93Å; E158-G160 VanDerWaalsContact C-N 3.27Å; E158-G160 PolarHBondContact O-N 2.83Å; G160-M162 VanDerWaalsContact C-N 3.27Å; G160-M162 PolarHBondContact O-N 3.27Å; G160-T163 PolarHBondContact O-N 3.44Å; G160-T163 VanDerWaalsContact O-N 3.14Å; G160-H164 WeakPolarHBondContact O-CA 3.38Å; G160-H164 WeakPolarHBondContact O-CB 3.43Å; G160-H164 PolarHBondContact O-N 2.94Å
161R95.3Very high97.4Very high12 Ų126.7 Ų6.75%0.0453%0.033CC..Hα-helixtrans-62.5-27.9-174.7-72.9170.962.3-147.8-12.6113.9T121 I157 E158 T163 N165 F170 T210T121-R161 PolarHBondContact OG1-O 3.49Å; I157-R161 HydrophobicContact CG2-CG 4.31Å; I157-R161 WeakPolarHBondContact O-CB 3.39Å; I157-R161 VanDerWaalsContact O-CG 3.24Å; I157-R161 WeakPolarHBondContact O-CG 3.38Å; I157-R161 PolarHBondContact O-N 2.96Å; E158-R161 PolarHBondContact O-N 2.89Å; E158-R161 VanDerWaalsContact O-N 3.17Å; E158-R161 IonicContact OE1-CZ 2.79Å; E158-R161 IonicContact OE1-NH1 2.81Å; E158-R161 PolarHBondContact OE1-NH1 3.26Å; E158-R161 IonicContact OE2-NH1 2.7Å; R161-T163 PolarHBondContact O-N 3.22Å; R161-N165 HydrophobicContact CB-CB 4.44Å; R161-N165 WeakPolarHBondContact CG-OD1 3.42Å; R161-N165 PolarHBondContact NE-OD1 2.68Å; R161-N165 WeakPolarHBondContact O-CB 3.42Å; R161-F170 HydrophobicContact CG-CB 3.87Å; R161-F170 HydrophobicContact CG-CD1 3.39Å; R161-F170 HydrophobicContact CG-CE1 4Å; R161-F170 HydrophobicContact CG-CG 3.72Å; R161-T210 PolarHBondContact NH1-OG1 3.09Å
162M95.4Very high97.5Very high0 Ų04.6 Ų4.60%02%0.022CC..THydrogen-bonded Turntrans-51.1-28.7173.6-78.4169.5-165.800113.7Y80 V83 V84 Y87 L110 W119 T121 E158 G160Y80-M162 HydrophobicContact CD1-CE 3.85Å; Y80-M162 HydrophobicContact CG-CE 4.04Å; V83-M162 HydrophobicContact CB-CE 4.11Å; V83-M162 HydrophobicContact CB-SD 3.99Å; V83-M162 HydrophobicContact CG1-CE 4.12Å; V83-M162 HydrophobicContact CG1-SD 3.38Å; V83-M162 WeakPolarHBondContact CG1-SD 3.38Å; V84-M162 HydrophobicContact CG2-SD 4.3Å; Y87-M162 HydrophobicContact CE2-CB 4.41Å; Y87-M162 HydrophobicContact CE2-SD 4.19Å; L110-M162 HydrophobicContact CD2-CB 4.14Å; L110-M162 HydrophobicContact CD2-CG 4.43Å; L110-M162 WeakPolarHBondContact CD2-O 3.47Å; W119-M162 HydrophobicContact CB-CE 3.51Å; W119-M162 HydrophobicContact CB-CG 3.7Å; W119-M162 HydrophobicContact CB-SD 4.2Å; W119-M162 HydrophobicContact CG-CE 4.05Å; T121-M162 VanDerWaalsContact CG2-O 3.3Å; T121-M162 WeakPolarHBondContact CG2-O 3.22Å; E158-M162 VanDerWaalsContact O-CG 3.3Å; E158-M162 WeakPolarHBondContact O-CG 3.21Å; E158-M162 PolarHBondContact O-N 3.45Å; G160-M162 VanDerWaalsContact C-N 3.27Å; G160-M162 PolarHBondContact O-N 3.27Å
163T93.7Very high97.5Very high4 Ų44.6 Ų4.63%0.0252%0.022CC..THydrogen-bonded Turntrans-130.9-24.5-179.651.20000113.5Y87 P106 K135 G160 R161Y87-T163 HydrophobicContact CD2-CG2 4.44Å; P106-T163 HydrophobicContact CB-CG2 4.24Å; P106-T163 WeakPolarHBondContact CB-O 3.16Å; P106-T163 WeakPolarHBondContact CG-O 3.31Å; K135-T163 PolarHBondContact NZ-OG1 3.4Å; G160-T163 PolarHBondContact O-N 3.44Å; G160-T163 VanDerWaalsContact O-N 3.14Å; R161-T163 PolarHBondContact O-N 3.22Å
164H95.8Very high97.5Very high3 Ų34.3 Ų4.31%0.0142%0.02CC..  trans-129.261.5-172.7-70.272.7000108.3G102 G127 G129 G131 A132 G160 H166G102-H164 PolarHBondContact O-CE1 3.04Å; G127-H164 CarbonylContact O-C 3.54Å; G127-H164 VanDerWaalsContact O-CA 3.27Å; G127-H164 WeakPolarHBondContact O-CA 3.44Å; G127-H164 WeakPolarHBondContact O-CB 3.41Å; G127-H164 PolarHBondContact O-CD2 3.25Å; G129-H164 PolarHBondContact O-CD2 2.83Å; G131-H164 PolarHBondContact N-NE2 3.33Å; A132-H164 HydrophobicContact CB-CB 3.59Å; A132-H164 PolarHBondContact N-CE1 3.48Å; G160-H164 WeakPolarHBondContact O-CA 3.38Å; G160-H164 WeakPolarHBondContact O-CB 3.43Å; G160-H164 PolarHBondContact O-N 2.94Å; H164-H166 PolarHBondContact O-N 3.18Å
165N95.6Very high97.5Very high3 Ų31.8 Ų1.82%0.0161%0.008CC..  trans-76.366.4179.7-162.515.6000111.4T121 P122 F123 N124 R161 Y217T121-N165 PolarHBondContact O-ND2 3.43Å; P122-N165 WeakPolarHBondContact O-CB 3.44Å; P122-N165 PolarHBondContact O-ND2 3.04Å; F123-N165 VanDerWaalsContact CD2-O 3.28Å; F123-N165 WeakPolarHBondContact CD2-O 3.48Å; F123-N165 PolarHBondContact N-ND2 2.83Å; N124-N165 PolarHBondContact N-O 3Å; R161-N165 HydrophobicContact CB-CB 4.44Å; R161-N165 WeakPolarHBondContact CG-OD1 3.42Å; R161-N165 PolarHBondContact NE-OD1 2.68Å; R161-N165 WeakPolarHBondContact O-CB 3.42Å; N165-Y217 PolarHBondContact ND2-OH 3.34Å; N165-Y217 WeakPolarHBondContact OD1-CE1 3.49Å; N165-Y217 PolarHBondContact OD1-OH 3.24Å
166H96.7Very high97.5Very high8 Ų81.8 Ų1.84%0.0371%0.008CC..SBendtrans-151.1132.5179.6-171.6-76.7000107.5F123 N124 G127 H164 T168 G169 F170 N220F123-H166 AromaticContact CE2-CD2 3.92Å; F123-H166 AromaticContact CZ-CD2 3.84Å; N124-H166 PolarHBondContact O-CD2 3.01Å; G127-H166 VanDerWaalsContact C-CB 3.45Å; G127-H166 WeakPolarHBondContact O-CB 3.48Å; H164-H166 PolarHBondContact O-N 3.18Å; H166-T168 VanDerWaalsContact C-N 3.32Å; H166-T168 PolarHBondContact CE1-OG1 2.96Å; H166-T168 WeakPolarHBondContact ND1-CB 3.39Å; H166-T168 PolarHBondContact ND1-N 3.44Å; H166-T168 PolarHBondContact ND1-OG1 3.4Å; H166-T168 PolarHBondContact O-N 2.89Å; H166-G169 WeakPolarHBondContact O-CA 3.46Å; H166-G169 PolarHBondContact O-N 3.4Å; H166-F170 WeakPolarHBondContact O-CD1 3.2Å; H166-F170 PolarHBondContact O-N 3.36Å; H166-N220 VanDerWaalsContact CE1-CB 3.44Å; H166-N220 WeakPolarHBondContact CE1-CB 3.41Å; H166-N220 PolarHBondContact CE1-OD1 2.91Å; H166-N220 PolarHBondContact NE2-OD1 2.92Å; H166-N220 VanDerWaalsContact NE2-OD1 3.13Å
167P98.1Very high97.5Very high0 Ų01.8 Ų1.80%01%0.008CC..Hα-helixtrans-51-46.5-176.4-29.835.1000114.2G169 F170 L171 Y217 N220 W221P167-G169 PolarHBondContact O-N 3.06Å; P167-G169 VanDerWaalsContact O-N 3.14Å; P167-F170 VanDerWaalsContact CA-CE1 3.48Å; P167-F170 VanDerWaalsContact CA-CZ 3.43Å; P167-F170 HydrophobicContact CB-CE1 4.36Å; P167-F170 HydrophobicContact CB-CE2 4.41Å; P167-F170 HydrophobicContact CB-CZ 3.97Å; P167-F170 HydrophobicContact CG-CE1 4.1Å; P167-F170 HydrophobicContact CG-CZ 3.88Å; P167-F170 VanDerWaalsContact N-CE1 3.32Å; P167-L171 HydrophobicContact CB-CD1 4.13Å; P167-L171 WeakPolarHBondContact O-CB 3.39Å; P167-L171 VanDerWaalsContact O-CG 3.23Å; P167-L171 WeakPolarHBondContact O-CG 3.27Å; P167-L171 PolarHBondContact O-N 3.4Å; P167-Y217 HydrophobicContact CG-CD1 3.82Å; P167-Y217 HydrophobicContact CG-CG 4.27Å; P167-Y217 WeakPolarHBondContact CG-O 3.3Å; P167-N220 HydrophobicContact CB-CB 4.1Å; P167-N220 HydrophobicContact CG-CB 3.82Å; P167-W221 HydrophobicContact CB-CB 4.22Å; P167-W221 HydrophobicContact CB-CE3 4.12Å; P167-W221 HydrophobicContact CG-CB 4.41Å; P167-W221 HydrophobicContact CG-CE3 4.34Å
168T98.1Very high97.5Very high3 Ų31.8 Ų1.82%0.0181%0.008CC..Hα-helixtrans-54.2-34.7175.8-45.50000113.8H166 Y223 R272 G273 H274H166-T168 VanDerWaalsContact C-N 3.32Å; H166-T168 PolarHBondContact CE1-OG1 2.96Å; H166-T168 WeakPolarHBondContact ND1-CB 3.39Å; H166-T168 PolarHBondContact ND1-N 3.44Å; H166-T168 PolarHBondContact ND1-OG1 3.4Å; H166-T168 PolarHBondContact O-N 2.89Å; T168-Y223 HydrophobicContact CG2-CD1 4.31Å; T168-Y223 HydrophobicContact CG2-CE1 4.12Å; T168-R272 HydrophobicContact CG2-CB 4.12Å; T168-G273 CarbonylContact O-C 3.22Å; T168-G273 VanDerWaalsContact O-C 3.22Å; T168-G273 WeakPolarHBondContact O-CA 3.49Å; T168-H274 HydrophobicContact CG2-CB 4.09Å; T168-H274 PolarHBondContact O-N 2.83Å
169G97.4Very high97.6Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-79.9-60.917900000112.1A132 H166 P167 L171 G172 S173A132-G169 WeakPolarHBondContact CB-O 3.26Å; H166-G169 WeakPolarHBondContact O-CA 3.46Å; H166-G169 PolarHBondContact O-N 3.4Å; P167-G169 PolarHBondContact O-N 3.06Å; P167-G169 VanDerWaalsContact O-N 3.14Å; G169-L171 VanDerWaalsContact C-N 3.34Å; G169-L171 PolarHBondContact O-N 3.45Å; G169-G172 WeakPolarHBondContact O-CA 3.1Å; G169-G172 PolarHBondContact O-N 3.47Å; G169-S173 PolarHBondContact O-N 2.95Å
170F98.1Very high97.6Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-70.7-24.9-174.666.1-115000113.9I157 R161 H166 P167 G172 S173 L174 Y217 W221I157-F170 HydrophobicContact CD1-CD2 3.47Å; I157-F170 VanDerWaalsContact CD1-CD2 3.47Å; I157-F170 HydrophobicContact CD1-CE2 3.94Å; I157-F170 HydrophobicContact CD1-CG 4.48Å; I157-F170 HydrophobicContact CG2-CD2 4.41Å; R161-F170 HydrophobicContact CG-CB 3.87Å; R161-F170 HydrophobicContact CG-CD1 3.39Å; R161-F170 HydrophobicContact CG-CE1 4Å; R161-F170 HydrophobicContact CG-CG 3.72Å; H166-F170 WeakPolarHBondContact O-CD1 3.2Å; H166-F170 PolarHBondContact O-N 3.36Å; P167-F170 VanDerWaalsContact CA-CE1 3.48Å; P167-F170 VanDerWaalsContact CA-CZ 3.43Å; P167-F170 HydrophobicContact CB-CE1 4.36Å; P167-F170 HydrophobicContact CB-CE2 4.41Å; P167-F170 HydrophobicContact CB-CZ 3.97Å; P167-F170 HydrophobicContact CG-CE1 4.1Å; P167-F170 HydrophobicContact CG-CZ 3.88Å; P167-F170 VanDerWaalsContact N-CE1 3.32Å; F170-G172 PolarHBondContact O-N 2.88Å; F170-S173 VanDerWaalsContact O-CB 3.26Å; F170-S173 WeakPolarHBondContact O-CB 3.34Å; F170-S173 PolarHBondContact O-N 3.26Å; F170-L174 PolarHBondContact O-N 3.08Å; F170-L174 VanDerWaalsContact O-N 3.07Å; F170-Y217 AromaticContact CE1-CD1 3.93Å; F170-Y217 HydrophobicContact CE1-CD1 3.93Å; F170-Y217 AromaticContact CE1-CE1 3.97Å; F170-Y217 HydrophobicContact CE1-CE1 3.97Å; F170-Y217 HydrophobicContact CZ-CD1 4.12Å; F170-W221 HydrophobicContact CE2-CE3 4.32Å; F170-W221 HydrophobicContact CE2-CH2 4.46Å; F170-W221 AromaticContact CE2-CZ3 3.68Å; F170-W221 HydrophobicContact CE2-CZ3 3.68Å; F170-W221 HydrophobicContact CZ-CE3 4.32Å; F170-W221 AromaticContact CZ-CZ3 3.97Å; F170-W221 HydrophobicContact CZ-CZ3 3.97Å
171L98.8Very high97.7Very high1 Ų11.8 Ų1.81%0.0051%0.009CC..Hα-helixtrans-70.3-26.1170.6-66.7173.7000111.3I157 P167 G169 L174 T175 A203 W221 F224I157-L171 HydrophobicContact CD1-CD2 4.09Å; P167-L171 HydrophobicContact CB-CD1 4.13Å; P167-L171 WeakPolarHBondContact O-CB 3.39Å; P167-L171 VanDerWaalsContact O-CG 3.23Å; P167-L171 WeakPolarHBondContact O-CG 3.27Å; P167-L171 PolarHBondContact O-N 3.4Å; G169-L171 VanDerWaalsContact C-N 3.34Å; G169-L171 PolarHBondContact O-N 3.45Å; L171-L174 HydrophobicContact CD2-CD2 4.09Å; L171-L174 WeakPolarHBondContact O-CB 3.11Å; L171-L174 PolarHBondContact O-N 3.47Å; L171-T175 PolarHBondContact O-N 3.23Å; L171-T175 PolarHBondContact O-OG1 2.95Å; L171-A203 HydrophobicContact CD2-CB 4.34Å; L171-W221 HydrophobicContact CD1-CD2 4.01Å; L171-W221 HydrophobicContact CD1-CE3 4.09Å; L171-W221 HydrophobicContact CD1-CH2 4.38Å; L171-W221 HydrophobicContact CD1-CZ2 4.3Å; L171-W221 HydrophobicContact CD1-CZ3 4.3Å; L171-W221 HydrophobicContact CD2-CH2 3.68Å; L171-W221 HydrophobicContact CD2-CZ2 4Å; L171-W221 HydrophobicContact CD2-CZ3 4.08Å; L171-W221 HydrophobicContact CG-CH2 4.47Å; L171-W221 HydrophobicContact CG-CZ3 4.45Å; L171-F224 HydrophobicContact CB-CD1 3.84Å; L171-F224 HydrophobicContact CB-CD2 3.76Å; L171-F224 HydrophobicContact CB-CE1 3.68Å; L171-F224 HydrophobicContact CB-CE2 3.57Å; L171-F224 HydrophobicContact CB-CG 3.88Å; L171-F224 HydrophobicContact CB-CZ 3.53Å; L171-F224 HydrophobicContact CD1-CB 3.88Å; L171-F224 HydrophobicContact CD1-CD1 3.7Å; L171-F224 HydrophobicContact CD1-CD2 4.37Å; L171-F224 HydrophobicContact CD1-CE1 4.32Å; L171-F224 HydrophobicContact CD1-CG 3.73Å; L171-F224 HydrophobicContact CG-CD1 4.4Å; L171-F224 HydrophobicContact CG-CG 4.47Å
172G98.8Very high97.9Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-65.6-36.7167.800000113.3A133 G169 F170 T175 T176 G273A133-G172 WeakPolarHBondContact CB-O 3.3Å; G169-G172 WeakPolarHBondContact O-CA 3.1Å; G169-G172 PolarHBondContact O-N 3.47Å; F170-G172 PolarHBondContact O-N 2.88Å; G172-T175 PolarHBondContact O-N 3.47Å; G172-T176 PolarHBondContact O-N 3.18Å; G172-T176 VanDerWaalsContact O-N 3.1Å; G172-T176 PolarHBondContact O-OG1 3.48Å; G172-T176 VanDerWaalsContact O-OG1 3.07Å; G172-G273 WeakPolarHBondContact CA-O 3.4Å
173S98.8Very high98Very high0 Ų01.9 Ų1.90%01%0.011CC..Hα-helixtrans-60.6-47.2170.3177.40000111.1A132 A136 S156 G169 F170 T175 T176 A177A132-S173 WeakPolarHBondContact O-CB 3.07Å; A136-S173 WeakPolarHBondContact CB-O 3.5Å; A136-S173 WeakPolarHBondContact CB-OG 3.27Å; S156-S173 WeakPolarHBondContact O-CB 3.47Å; S156-S173 PolarHBondContact O-OG 3.22Å; G169-S173 PolarHBondContact O-N 2.95Å; F170-S173 VanDerWaalsContact O-CB 3.26Å; F170-S173 WeakPolarHBondContact O-CB 3.34Å; F170-S173 PolarHBondContact O-N 3.26Å; S173-T175 PolarHBondContact O-N 3.45Å; S173-T176 PolarHBondContact O-OG1 3.02Å; S173-T176 VanDerWaalsContact O-OG1 3.08Å; S173-A177 WeakPolarHBondContact O-CB 3.38Å; S173-A177 PolarHBondContact O-N 3.36Å; S173-A177 VanDerWaalsContact O-N 3.11Å
174L98.9Very high98.3Very high0 Ų03.7 Ų3.70%02%0.02CC..Hα-helixtrans-57.9-47.4173.5172.664000112L152 V153 S156 I157 F170 L171 T176 A177 L178 V199 A203L152-L174 HydrophobicContact CD2-CD1 3.91Å; V153-L174 HydrophobicContact CB-CD1 4.46Å; V153-L174 HydrophobicContact CG2-CD1 3.99Å; S156-L174 WeakPolarHBondContact OG-CA 3.48Å; S156-L174 WeakPolarHBondContact OG-CD1 3.08Å; I157-L174 HydrophobicContact CD1-CB 4.17Å; I157-L174 HydrophobicContact CD1-CD2 4.41Å; F170-L174 PolarHBondContact O-N 3.08Å; F170-L174 VanDerWaalsContact O-N 3.07Å; L171-L174 HydrophobicContact CD2-CD2 4.09Å; L171-L174 WeakPolarHBondContact O-CB 3.11Å; L171-L174 PolarHBondContact O-N 3.47Å; L174-T176 PolarHBondContact O-N 3.26Å; L174-A177 PolarHBondContact O-N 2.81Å; L174-L178 WeakPolarHBondContact O-CB 3.38Å; L174-L178 PolarHBondContact O-N 3.22Å; L174-V199 HydrophobicContact CD1-CG1 4.35Å; L174-V199 HydrophobicContact CD2-CG1 4.46Å; L174-A203 HydrophobicContact CD2-CB 3.61Å
175T98.9Very high98.4Very high0 Ų06.3 Ų6.30%03%0.032CC..Hα-helixtrans-59.3-48.6-177.6-64.10000112.4L171 G172 S173 L178 F179 L196 F224 W228 P277L171-T175 PolarHBondContact O-N 3.23Å; L171-T175 PolarHBondContact O-OG1 2.95Å; G172-T175 PolarHBondContact O-N 3.47Å; S173-T175 PolarHBondContact O-N 3.45Å; T175-L178 PolarHBondContact O-N 3.06Å; T175-F179 HydrophobicContact CG2-CD1 4.32Å; T175-F179 HydrophobicContact CG2-CD2 4.01Å; T175-F179 HydrophobicContact CG2-CE1 4.03Å; T175-F179 HydrophobicContact CG2-CE2 3.7Å; T175-F179 HydrophobicContact CG2-CG 4.32Å; T175-F179 HydrophobicContact CG2-CZ 3.72Å; T175-F179 WeakPolarHBondContact O-CB 3.37Å; T175-F179 WeakPolarHBondContact O-CD1 3.29Å; T175-F179 VanDerWaalsContact O-CG 3.31Å; T175-F179 WeakPolarHBondContact O-CG 3.45Å; T175-F179 PolarHBondContact O-N 3.47Å; T175-L196 HydrophobicContact CG2-CD2 3.81Å; T175-L196 WeakPolarHBondContact OG1-CD1 3.39Å; T175-L196 WeakPolarHBondContact OG1-CD2 3.41Å; T175-F224 WeakPolarHBondContact OG1-CZ 3.19Å; T175-W228 HydrophobicContact CG2-CH2 3.89Å; T175-W228 HydrophobicContact CG2-CZ2 3.66Å; T175-P277 HydrophobicContact CG2-CB 3.69Å; T175-P277 HydrophobicContact CG2-CG 4.09Å
176T98.9Very high98.5Very high0 Ų09 Ų90%06%0.061CC..Hα-helixtrans-68.6-38.8-177.9510000112.3A133 M137 G172 S173 L174 A180 P277 I311A133-T176 HydrophobicContact CB-CG2 3.89Å; A133-T176 WeakPolarHBondContact O-CG2 3.49Å; A133-T176 PolarHBondContact O-OG1 3.46Å; M137-T176 HydrophobicContact SD-CG2 4.23Å; G172-T176 PolarHBondContact O-N 3.18Å; G172-T176 VanDerWaalsContact O-N 3.1Å; G172-T176 PolarHBondContact O-OG1 3.48Å; G172-T176 VanDerWaalsContact O-OG1 3.07Å; S173-T176 PolarHBondContact O-OG1 3.02Å; S173-T176 VanDerWaalsContact O-OG1 3.08Å; L174-T176 PolarHBondContact O-N 3.26Å; T176-A180 WeakPolarHBondContact O-CB 3.2Å; T176-A180 PolarHBondContact O-N 3.17Å; T176-P277 HydrophobicContact CG2-CB 3.8Å; T176-P277 HydrophobicContact CG2-CG 4.43Å; T176-I311 HydrophobicContact CG2-CD1 3.76Å; T176-I311 HydrophobicContact CG2-CG1 3.91Å; T176-I311 HydrophobicContact CG2-CG2 3.75Å
177A98.9Very high98.5Very high0 Ų011.5 Ų11.50%07%0.071CC..Hα-helixtrans-61.5-45.9171.200000111.5A136 V139 G140 L152 S173 L174 F179 A180 S181A136-A177 WeakPolarHBondContact O-CB 3.37Å; V139-A177 HydrophobicContact CB-CB 4Å; V139-A177 HydrophobicContact CG1-CB 4.33Å; G140-A177 WeakPolarHBondContact CA-O 3.38Å; L152-A177 HydrophobicContact CD2-CB 4.16Å; L152-A177 HydrophobicContact CG-CB 4.34Å; S173-A177 WeakPolarHBondContact O-CB 3.38Å; S173-A177 PolarHBondContact O-N 3.36Å; S173-A177 VanDerWaalsContact O-N 3.11Å; L174-A177 PolarHBondContact O-N 2.81Å; A177-F179 PolarHBondContact O-N 3.39Å; A177-A180 PolarHBondContact O-N 2.84Å; A177-S181 PolarHBondContact O-N 3.13Å
178L98.9Very high98.5Very high0 Ų015.6 Ų15.60%010%0.098CC..Hα-helixtrans-65.8-40.6-180-172.266.5000111.9L149 L152 L174 T175 S181 F182 L196 V199L149-L178 HydrophobicContact CD1-CD1 3.93Å; L152-L178 HydrophobicContact CD2-CB 4.27Å; L152-L178 HydrophobicContact CD2-CD1 4.22Å; L174-L178 WeakPolarHBondContact O-CB 3.38Å; L174-L178 PolarHBondContact O-N 3.22Å; T175-L178 PolarHBondContact O-N 3.06Å; L178-S181 PolarHBondContact O-N 3.48Å; L178-S181 PolarHBondContact O-OG 3Å; L178-F182 HydrophobicContact CD1-CD1 4.41Å; L178-F182 HydrophobicContact CD1-CE1 3.66Å; L178-F182 HydrophobicContact CD1-CE2 4.16Å; L178-F182 HydrophobicContact CD1-CZ 3.51Å; L178-F182 HydrophobicContact CD2-CE2 3.84Å; L178-F182 HydrophobicContact CD2-CZ 3.77Å; L178-F182 HydrophobicContact CG-CD2 4.22Å; L178-F182 HydrophobicContact CG-CE1 4.01Å; L178-F182 HydrophobicContact CG-CE2 3.58Å; L178-F182 HydrophobicContact CG-CZ 3.46Å; L178-F182 VanDerWaalsContact CG-CZ 3.46Å; L178-F182 WeakPolarHBondContact O-CG 3.31Å; L178-F182 PolarHBondContact O-N 2.88Å; L178-L196 HydrophobicContact CD2-CB 4.1Å; L178-L196 HydrophobicContact CD2-CD1 3.98Å; L178-V199 HydrophobicContact CD1-CG2 4.32Å; L178-V199 HydrophobicContact CD2-CB 3.99Å; L178-V199 HydrophobicContact CD2-CG1 4.25Å; L178-V199 HydrophobicContact CD2-CG2 3.92Å
179F98.9Very high98.5Very high0 Ų016.7 Ų16.70%010%0.104CC..Hα-helixtrans-68.4-36.8177.7-736.4000111.6T175 A177 F182 A183 W192 L196 W228 Y281 L315T175-F179 HydrophobicContact CG2-CD1 4.32Å; T175-F179 HydrophobicContact CG2-CD2 4.01Å; T175-F179 HydrophobicContact CG2-CE1 4.03Å; T175-F179 HydrophobicContact CG2-CE2 3.7Å; T175-F179 HydrophobicContact CG2-CG 4.32Å; T175-F179 HydrophobicContact CG2-CZ 3.72Å; T175-F179 WeakPolarHBondContact O-CB 3.37Å; T175-F179 WeakPolarHBondContact O-CD1 3.29Å; T175-F179 VanDerWaalsContact O-CG 3.31Å; T175-F179 WeakPolarHBondContact O-CG 3.45Å; T175-F179 PolarHBondContact O-N 3.47Å; A177-F179 PolarHBondContact O-N 3.39Å; F179-F182 HydrophobicContact CD1-CD2 4.17Å; F179-F182 PolarHBondContact O-N 3.2Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.92Å; F179-W192 HydrophobicContact CB-CE3 3.66Å; F179-W192 HydrophobicContact CB-CZ3 3.92Å; F179-W192 HydrophobicContact CD1-CB 3.86Å; F179-W192 HydrophobicContact CD1-CE3 4.14Å; F179-W192 HydrophobicContact CD1-CG 4.48Å; F179-W192 AromaticContact CD2-CE3 3.92Å; F179-W192 HydrophobicContact CD2-CE3 3.92Å; F179-W192 HydrophobicContact CE1-CB 3.66Å; F179-W192 WeakPolarHBondContact CE1-O 3.35Å; F179-W192 HydrophobicContact CG-CB 4.45Å; F179-W192 HydrophobicContact CG-CD2 4.44Å; F179-W192 AromaticContact CG-CE3 3.65Å; F179-W192 HydrophobicContact CG-CE3 3.65Å; F179-W192 HydrophobicContact CG-CZ3 4.34Å; F179-W192 HydrophobicContact CZ-CB 4.08Å; F179-L196 HydrophobicContact CE1-CB 4.05Å; F179-L196 HydrophobicContact CE1-CD2 4.48Å; F179-L196 HydrophobicContact CZ-CD2 4.37Å; F179-W228 AromaticContact CE2-CH2 3.8Å; F179-W228 HydrophobicContact CE2-CH2 3.8Å; F179-W228 HydrophobicContact CE2-CZ3 4.26Å; F179-W228 AromaticContact CZ-CH2 3.83Å; F179-W228 HydrophobicContact CZ-CH2 3.83Å; F179-W228 AromaticContact CZ-CZ3 3.92Å; F179-W228 HydrophobicContact CZ-CZ3 3.92Å; F179-Y281 HydrophobicContact CD2-CD2 4.36Å; F179-Y281 HydrophobicContact CD2-CG 4.46Å; F179-Y281 HydrophobicContact CE2-CD1 4.21Å; F179-Y281 AromaticContact CE2-CD2 3.95Å; F179-Y281 HydrophobicContact CE2-CD2 3.95Å; F179-Y281 AromaticContact CE2-CG 3.74Å; F179-Y281 HydrophobicContact CE2-CG 3.74Å; F179-Y281 HydrophobicContact CZ-CD1 4.49Å; F179-Y281 HydrophobicContact CZ-CG 4.39Å; F179-L315 HydrophobicContact CB-CD1 4.05Å; F179-L315 HydrophobicContact CB-CD2 3.87Å; F179-L315 HydrophobicContact CD2-CD1 4.4Å
180A98.9Very high98.5Very high0 Ų018 Ų180%011%0.111CC..Hα-helixtrans-62.9-42173.300000111.7M137 T176 A177 A183 I184 L315 L318M137-A180 HydrophobicContact CB-CB 4.16Å; M137-A180 VanDerWaalsContact O-CB 3.31Å; M137-A180 WeakPolarHBondContact O-CB 3.36Å; T176-A180 WeakPolarHBondContact O-CB 3.2Å; T176-A180 PolarHBondContact O-N 3.17Å; A177-A180 PolarHBondContact O-N 2.84Å; A180-A183 PolarHBondContact O-N 3.33Å; A180-I184 WeakPolarHBondContact O-CD1 3.47Å; A180-I184 WeakPolarHBondContact O-CG1 3.49Å; A180-I184 PolarHBondContact O-N 3.37Å; A180-I184 VanDerWaalsContact O-N 3.15Å; A180-L315 HydrophobicContact CB-CD2 4.01Å; A180-L315 VanDerWaalsContact N-CD2 3.35Å; A180-L318 HydrophobicContact CB-CD1 3.65Å
181S98.8Very high98.5Very high3 Ų319 Ų192%0.02112%0.117CC..Hα-helixtrans-64.3-41.217573.40000111.9L152 A177 L178 A183 I184 Q185L152-S181 WeakPolarHBondContact CD1-OG 3.25Å; A177-S181 PolarHBondContact O-N 3.13Å; L178-S181 PolarHBondContact O-N 3.48Å; L178-S181 PolarHBondContact O-OG 3Å; S181-A183 PolarHBondContact O-N 3.43Å; S181-I184 PolarHBondContact O-N 3.39Å; S181-Q185 WeakPolarHBondContact O-CB 3.37Å; S181-Q185 VanDerWaalsContact O-CG 3.26Å; S181-Q185 WeakPolarHBondContact O-CG 3.48Å; S181-Q185 PolarHBondContact O-N 2.89Å
182F98.8Very high98.5Very high9 Ų919 Ų194%0.03912%0.117CC..Hα-helixtrans-62.9-39.6175.8-68.1-14.2000113.1L178 F179 I184 Q185 G186 K187 W192 E195L178-F182 HydrophobicContact CD1-CD1 4.41Å; L178-F182 HydrophobicContact CD1-CE1 3.66Å; L178-F182 HydrophobicContact CD1-CE2 4.16Å; L178-F182 HydrophobicContact CD1-CZ 3.51Å; L178-F182 HydrophobicContact CD2-CE2 3.84Å; L178-F182 HydrophobicContact CD2-CZ 3.77Å; L178-F182 HydrophobicContact CG-CD2 4.22Å; L178-F182 HydrophobicContact CG-CE1 4.01Å; L178-F182 HydrophobicContact CG-CE2 3.58Å; L178-F182 HydrophobicContact CG-CZ 3.46Å; L178-F182 VanDerWaalsContact CG-CZ 3.46Å; L178-F182 WeakPolarHBondContact O-CG 3.31Å; L178-F182 PolarHBondContact O-N 2.88Å; F179-F182 HydrophobicContact CD1-CD2 4.17Å; F179-F182 PolarHBondContact O-N 3.2Å; F182-I184 VanDerWaalsContact C-N 3.32Å; F182-I184 PolarHBondContact O-N 2.72Å; F182-Q185 PolarHBondContact O-N 3.02Å; F182-G186 PolarHBondContact O-N 3.22Å; F182-K187 HydrophobicContact CB-CB 4.09Å; F182-K187 HydrophobicContact CB-CD 4.41Å; F182-K187 HydrophobicContact CB-CG 4.44Å; F182-K187 HydrophobicContact CD1-CD 3.6Å; F182-K187 HydrophobicContact CD1-CG 4.31Å; F182-K187 HydrophobicContact CE1-CD 3.93Å; F182-K187 HydrophobicContact CG-CB 4.49Å; F182-K187 HydrophobicContact CG-CD 3.97Å; F182-K187 PolarHBondContact O-N 3.15Å; F182-W192 HydrophobicContact CB-CD2 4.01Å; F182-W192 HydrophobicContact CB-CG 4.11Å; F182-W192 HydrophobicContact CB-CZ2 4.27Å; F182-W192 HydrophobicContact CD2-CB 3.9Å; F182-W192 AromaticContact CD2-CD1 3.81Å; F182-W192 HydrophobicContact CD2-CD2 4.32Å; F182-W192 AromaticContact CD2-CG 3.72Å; F182-W192 HydrophobicContact CD2-CG 3.72Å; F182-W192 HydrophobicContact CE2-CB 4.45Å; F182-W192 HydrophobicContact CG-CG 4.4Å; F182-E195 HydrophobicContact CE2-CB 3.55Å; F182-E195 HydrophobicContact CE2-CG 4.48Å; F182-E195 HydrophobicContact CZ-CB 3.6Å; F182-E195 HydrophobicContact CZ-CG 4.47Å
183A98.7Very high98.5Very high6 Ų619 Ų195%0.0512%0.117CC..Hα-helixtrans-59.9-43.2174.500000111.6F179 A180 S181 G186 W192 L318 M319F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.92Å; A180-A183 PolarHBondContact O-N 3.33Å; S181-A183 PolarHBondContact O-N 3.43Å; A183-G186 PolarHBondContact O-N 2.87Å; A183-W192 HydrophobicContact CB-CH2 3.64Å; A183-W192 HydrophobicContact CB-CZ2 3.9Å; A183-L318 HydrophobicContact CB-CB 3.66Å; A183-L318 HydrophobicContact CB-CD1 4.13Å; A183-M319 HydrophobicContact CB-CG 4Å
184I98.5Very high98.4Very high42 Ų4219.8 Ų19.822%0.21512%0.12CC..Hα-helixtrans-68.5-41.2177.9-65.5161.5000111.4F4 M141 W144 A180 S181 F182 G186 L318F4-I184 HydrophobicContact CE1-CD1 4.48Å; F4-I184 HydrophobicContact CE2-CD1 3.71Å; F4-I184 HydrophobicContact CE2-CG1 3.92Å; F4-I184 HydrophobicContact CE2-CG2 4.15Å; F4-I184 HydrophobicContact CZ-CD1 3.63Å; F4-I184 HydrophobicContact CZ-CG1 4.33Å; F4-I184 HydrophobicContact CZ-CG2 4.47Å; M141-I184 HydrophobicContact CB-CD1 4.2Å; M141-I184 HydrophobicContact CG-CD1 4.07Å; W144-I184 HydrophobicContact CB-CB 4.12Å; W144-I184 HydrophobicContact CB-CD1 3.8Å; W144-I184 HydrophobicContact CB-CG2 4.01Å; W144-I184 HydrophobicContact CD2-CG2 3.55Å; W144-I184 HydrophobicContact CE3-CG2 3.7Å; W144-I184 HydrophobicContact CG-CB 4.36Å; W144-I184 HydrophobicContact CG-CD1 4.28Å; W144-I184 HydrophobicContact CG-CG2 3.69Å; W144-I184 HydrophobicContact CZ3-CG2 4.4Å; A180-I184 WeakPolarHBondContact O-CD1 3.47Å; A180-I184 WeakPolarHBondContact O-CG1 3.49Å; A180-I184 PolarHBondContact O-N 3.37Å; A180-I184 VanDerWaalsContact O-N 3.15Å; S181-I184 PolarHBondContact O-N 3.39Å; F182-I184 VanDerWaalsContact C-N 3.32Å; F182-I184 PolarHBondContact O-N 2.72Å; I184-G186 PolarHBondContact O-N 3.33Å; I184-L318 HydrophobicContact CD1-CD1 4.34Å; I184-L318 HydrophobicContact CD1-CD2 4.03Å; I184-L318 HydrophobicContact CG1-CD1 4.23Å; I184-L318 HydrophobicContact CG1-CD2 3.78Å; I184-L318 HydrophobicContact CG1-CG 4.39Å
185Q98.1Very high98.4Very high57 Ų5721.8 Ų21.827%0.26613%0.13SC..Hα-helixtrans-67.7-12.4176.1-70.31744300113.1W144 S181 F182 K187W144-Q185 HydrophobicContact CE3-CG 3.98Å; W144-Q185 HydrophobicContact CZ3-CG 4.4Å; W144-Q185 PolarHBondContact O-NE2 3.06Å; S181-Q185 WeakPolarHBondContact O-CB 3.37Å; S181-Q185 VanDerWaalsContact O-CG 3.26Å; S181-Q185 WeakPolarHBondContact O-CG 3.48Å; S181-Q185 PolarHBondContact O-N 2.89Å; F182-Q185 PolarHBondContact O-N 3.02Å; Q185-K187 VanDerWaalsContact C-N 3.28Å; Q185-K187 HydrophobicContact CB-CG 4.17Å; Q185-K187 PolarHBondContact O-N 3.13Å
186G97.9Very high98.4Very high60 Ų6021.8 Ų21.862%0.61913%0.13SC*.THydrogen-bonded Turntrans6925.9-175.100000113.1F182 A183 I184F182-G186 PolarHBondContact O-N 3.22Å; A183-G186 PolarHBondContact O-N 2.87Å; I184-G186 PolarHBondContact O-N 3.33Å
187K97.8Very high98.4Very high61 Ų6123.8 Ų23.827%0.26514%0.139SC..  trans-63.4139.7175.1-73.5-155.6177.9-166.60109.9F182 Q185 L189 W192 E195F182-K187 HydrophobicContact CB-CB 4.09Å; F182-K187 HydrophobicContact CB-CD 4.41Å; F182-K187 HydrophobicContact CB-CG 4.44Å; F182-K187 HydrophobicContact CD1-CD 3.6Å; F182-K187 HydrophobicContact CD1-CG 4.31Å; F182-K187 HydrophobicContact CE1-CD 3.93Å; F182-K187 HydrophobicContact CG-CB 4.49Å; F182-K187 HydrophobicContact CG-CD 3.97Å; F182-K187 PolarHBondContact O-N 3.15Å; Q185-K187 VanDerWaalsContact C-N 3.28Å; Q185-K187 HydrophobicContact CB-CG 4.17Å; Q185-K187 PolarHBondContact O-N 3.13Å; K187-L189 PolarHBondContact O-N 2.94Å; K187-W192 PolarHBondContact O-NE1 2.84Å; K187-E195 IonicContact NZ-OE2 3.81Å; K187-E195 PolarHBondContact NZ-OE2 3.17Å
188P97.4Very high98.3Very high85 Ų8528.9 Ų28.955%0.55216%0.162SC*.  trans-56.9127177.9-21.631.4000111V190 T191 W192P188-V190 PolarHBondContact O-N 2.93Å; P188-V190 VanDerWaalsContact O-N 3.11Å; P188-T191 HydrophobicContact CB-CG2 4.06Å; P188-T191 HydrophobicContact CG-CG2 4.4Å; P188-T191 PolarHBondContact O-N 2.9Å; P188-T191 PolarHBondContact O-OG1 2.9Å; P188-T191 VanDerWaalsContact O-OG1 3.1Å; P188-W192 VanDerWaalsContact O-CD1 3.25Å; P188-W192 PolarHBondContact O-NE1 3.48Å
189L97.6Very high98.3Very high27 Ų2729.4 Ų29.414%0.14117%0.165CC..G310 helixtrans-49.9-43.8-174-178.766.3000112.1K187 T191 W192 Y281 L284 L285 M319K187-L189 PolarHBondContact O-N 2.94Å; L189-T191 PolarHBondContact O-N 3.31Å; L189-W192 HydrophobicContact CD1-CD2 3.73Å; L189-W192 HydrophobicContact CD1-CE3 3.51Å; L189-W192 HydrophobicContact CD1-CH2 3.55Å; L189-W192 HydrophobicContact CD1-CZ2 3.77Å; L189-W192 HydrophobicContact CD1-CZ3 3.42Å; L189-W192 VanDerWaalsContact CD1-CZ3 3.42Å; L189-W192 PolarHBondContact O-N 3.47Å; L189-W192 VanDerWaalsContact O-N 3.08Å; L189-Y281 HydrophobicContact CD1-CD2 3.94Å; L189-Y281 HydrophobicContact CD1-CE2 3.71Å; L189-Y281 HydrophobicContact CG-CE2 4.02Å; L189-Y281 VanDerWaalsContact O-CE2 3.27Å; L189-Y281 WeakPolarHBondContact O-CE2 3.37Å; L189-Y281 PolarHBondContact O-OH 3.45Å; L189-L284 HydrophobicContact CD1-CB 4.18Å; L189-L284 VanDerWaalsContact CD2-C 3.44Å; L189-L284 HydrophobicContact CD2-CB 3.73Å; L189-L284 VanDerWaalsContact CD2-O 3.26Å; L189-L284 WeakPolarHBondContact CD2-O 3.4Å; L189-L285 HydrophobicContact CB-CD2 4.43Å; L189-L285 HydrophobicContact CD2-CD2 3.85Å; L189-L285 HydrophobicContact CD2-CG 4.14Å; L189-L285 HydrophobicContact CG-CD2 3.7Å; L189-L285 HydrophobicContact CG-CG 4.2Å; L189-M319 HydrophobicContact CB-CE 4.43Å; L189-M319 HydrophobicContact CD1-CE 4.49Å; L189-M319 HydrophobicContact CD1-SD 4.35Å; L189-M319 HydrophobicContact CD2-CE 4.37Å
190V97.7Very high98.3Very high26 Ų2629.4 Ų29.416%0.15817%0.165CC..G310 helixtrans-58.3-18.5-177.8-41.40000114.3P188 R194 N243 Y281 L285P188-V190 PolarHBondContact O-N 2.93Å; P188-V190 VanDerWaalsContact O-N 3.11Å; V190-R194 PolarHBondContact O-NH1 3.14Å; V190-N243 HydrophobicContact CG2-CB 4.12Å; V190-Y281 PolarHBondContact O-OH 3.31Å; V190-L285 HydrophobicContact CB-CD2 4.4Å; V190-L285 HydrophobicContact CG1-CD2 4.12Å
191T98.2Very high98.2Very high21 Ų2132.6 Ų32.613%0.12919%0.186CC..G310 helixtrans-91.6-14.6-17879.90000113P188 L189 G193 R194 E195P188-T191 HydrophobicContact CB-CG2 4.06Å; P188-T191 HydrophobicContact CG-CG2 4.4Å; P188-T191 PolarHBondContact O-N 2.9Å; P188-T191 PolarHBondContact O-OG1 2.9Å; P188-T191 VanDerWaalsContact O-OG1 3.1Å; L189-T191 PolarHBondContact O-N 3.31Å; T191-G193 VanDerWaalsContact C-N 3.34Å; T191-G193 PolarHBondContact O-N 2.87Å; T191-R194 WeakPolarHBondContact O-CG 3.43Å; T191-R194 PolarHBondContact O-N 3.15Å; T191-E195 WeakPolarHBondContact O-CB 3.47Å; T191-E195 WeakPolarHBondContact O-CG 3.44Å; T191-E195 PolarHBondContact O-N 3.44Å
192W98.7Very high98.2Very high1 Ų138.3 Ų38.30%0.00421%0.206CC..Hα-helixtrans-62-42.2-165.2-678.2000112.5F179 F182 A183 K187 P188 L189 E195 L196 Y281 L315 M319F179-W192 HydrophobicContact CB-CE3 3.66Å; F179-W192 HydrophobicContact CB-CZ3 3.92Å; F179-W192 HydrophobicContact CD1-CB 3.86Å; F179-W192 HydrophobicContact CD1-CE3 4.14Å; F179-W192 HydrophobicContact CD1-CG 4.48Å; F179-W192 AromaticContact CD2-CE3 3.92Å; F179-W192 HydrophobicContact CD2-CE3 3.92Å; F179-W192 HydrophobicContact CE1-CB 3.66Å; F179-W192 WeakPolarHBondContact CE1-O 3.35Å; F179-W192 HydrophobicContact CG-CB 4.45Å; F179-W192 HydrophobicContact CG-CD2 4.44Å; F179-W192 AromaticContact CG-CE3 3.65Å; F179-W192 HydrophobicContact CG-CE3 3.65Å; F179-W192 HydrophobicContact CG-CZ3 4.34Å; F179-W192 HydrophobicContact CZ-CB 4.08Å; F182-W192 HydrophobicContact CB-CD2 4.01Å; F182-W192 HydrophobicContact CB-CG 4.11Å; F182-W192 HydrophobicContact CB-CZ2 4.27Å; F182-W192 HydrophobicContact CD2-CB 3.9Å; F182-W192 AromaticContact CD2-CD1 3.81Å; F182-W192 HydrophobicContact CD2-CD2 4.32Å; F182-W192 AromaticContact CD2-CG 3.72Å; F182-W192 HydrophobicContact CD2-CG 3.72Å; F182-W192 HydrophobicContact CE2-CB 4.45Å; F182-W192 HydrophobicContact CG-CG 4.4Å; A183-W192 HydrophobicContact CB-CH2 3.64Å; A183-W192 HydrophobicContact CB-CZ2 3.9Å; K187-W192 PolarHBondContact O-NE1 2.84Å; P188-W192 VanDerWaalsContact O-CD1 3.25Å; P188-W192 PolarHBondContact O-NE1 3.48Å; L189-W192 HydrophobicContact CD1-CD2 3.73Å; L189-W192 HydrophobicContact CD1-CE3 3.51Å; L189-W192 HydrophobicContact CD1-CH2 3.55Å; L189-W192 HydrophobicContact CD1-CZ2 3.77Å; L189-W192 HydrophobicContact CD1-CZ3 3.42Å; L189-W192 VanDerWaalsContact CD1-CZ3 3.42Å; L189-W192 PolarHBondContact O-N 3.47Å; L189-W192 VanDerWaalsContact O-N 3.08Å; W192-E195 PolarHBondContact O-N 3.4Å; W192-L196 PolarHBondContact O-N 3.24Å; W192-Y281 HydrophobicContact CB-CE2 3.8Å; W192-Y281 HydrophobicContact CD2-CE2 4.37Å; W192-Y281 HydrophobicContact CE3-CD2 4.13Å; W192-Y281 HydrophobicContact CE3-CE2 4.12Å; W192-Y281 HydrophobicContact CG-CE2 4.29Å; W192-L315 HydrophobicContact CZ3-CD1 4.25Å; W192-L315 HydrophobicContact CZ3-CD2 4.34Å; W192-M319 HydrophobicContact CH2-CG 4.31Å; W192-M319 HydrophobicContact CH2-SD 3.71Å; W192-M319 HydrophobicContact CZ2-SD 4.21Å
193G98.6Very high98.2Very high0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-62.1-47178.400000114.1T191 E195 L196 M197 Y281T191-G193 VanDerWaalsContact C-N 3.34Å; T191-G193 PolarHBondContact O-N 2.87Å; G193-E195 VanDerWaalsContact C-N 3.3Å; G193-E195 PolarHBondContact O-N 3.14Å; G193-L196 WeakPolarHBondContact O-CB 3.28Å; G193-L196 PolarHBondContact O-N 3.31Å; G193-M197 WeakPolarHBondContact O-CG 3.45Å; G193-M197 PolarHBondContact O-N 3.25Å; G193-M197 VanDerWaalsContact O-N 3.14Å; G193-Y281 PolarHBondContact N-OH 3.48Å
194R97.3Very high98.1Very high18 Ų1840.3 Ų40.37%0.06822%0.215CC..Hα-helixtrans-68.4-30.7176.258.8176.6174.4-107.310.4112.7V190 T191 M197 K198 I237 D240 Q242 N243V190-R194 PolarHBondContact O-NH1 3.14Å; T191-R194 WeakPolarHBondContact O-CG 3.43Å; T191-R194 PolarHBondContact O-N 3.15Å; R194-M197 PolarHBondContact O-N 3.42Å; R194-K198 WeakPolarHBondContact O-CG 3.31Å; R194-K198 PolarHBondContact O-N 3.45Å; R194-I237 PolarHBondContact NH1-O 2.86Å; R194-D240 IonicContact NE-OD1 3.79Å; R194-Q242 PolarHBondContact NH1-O 3.5Å; R194-N243 PolarHBondContact NH2-OD1 2.98Å
195E98.4Very high98.1Very high42 Ų4243.4 Ų43.420%0.19623%0.228CC..Hα-helixtrans-69.8-36.3173.1-66.6-72.5115.600111.5F182 K187 T191 W192 G193 M197 K198 V199F182-E195 HydrophobicContact CE2-CB 3.55Å; F182-E195 HydrophobicContact CE2-CG 4.48Å; F182-E195 HydrophobicContact CZ-CB 3.6Å; F182-E195 HydrophobicContact CZ-CG 4.47Å; K187-E195 IonicContact NZ-OE2 3.81Å; K187-E195 PolarHBondContact NZ-OE2 3.17Å; T191-E195 WeakPolarHBondContact O-CB 3.47Å; T191-E195 WeakPolarHBondContact O-CG 3.44Å; T191-E195 PolarHBondContact O-N 3.44Å; W192-E195 PolarHBondContact O-N 3.4Å; G193-E195 VanDerWaalsContact C-N 3.3Å; G193-E195 PolarHBondContact O-N 3.14Å; E195-M197 VanDerWaalsContact C-N 3.34Å; E195-M197 PolarHBondContact O-N 2.7Å; E195-K198 WeakPolarHBondContact O-CB 3.4Å; E195-K198 PolarHBondContact O-N 2.81Å; E195-K198 IonicContact OE1-NZ 3.24Å; E195-K198 PolarHBondContact OE1-NZ 3.45Å; E195-V199 WeakPolarHBondContact O-CG2 3.45Å; E195-V199 PolarHBondContact O-N 3.38Å
196L98.8Very high98Very high0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-56.4-48.3169.6168.269.3000110.8T175 L178 F179 W192 G193 K198 V199 I200 W228T175-L196 HydrophobicContact CG2-CD2 3.81Å; T175-L196 WeakPolarHBondContact OG1-CD1 3.39Å; T175-L196 WeakPolarHBondContact OG1-CD2 3.41Å; L178-L196 HydrophobicContact CD2-CB 4.1Å; L178-L196 HydrophobicContact CD2-CD1 3.98Å; F179-L196 HydrophobicContact CE1-CB 4.05Å; F179-L196 HydrophobicContact CE1-CD2 4.48Å; F179-L196 HydrophobicContact CZ-CD2 4.37Å; W192-L196 PolarHBondContact O-N 3.24Å; G193-L196 WeakPolarHBondContact O-CB 3.28Å; G193-L196 PolarHBondContact O-N 3.31Å; L196-K198 PolarHBondContact O-N 3.11Å; L196-K198 VanDerWaalsContact O-N 3.15Å; L196-V199 WeakPolarHBondContact O-CA 3.37Å; L196-V199 PolarHBondContact O-N 3.32Å; L196-I200 HydrophobicContact CD1-CG1 4.18Å; L196-I200 HydrophobicContact CG-CD1 4.24Å; L196-I200 HydrophobicContact CG-CG1 4.36Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 3.09Å; L196-W228 HydrophobicContact CD2-CD2 3.71Å; L196-W228 HydrophobicContact CD2-CE3 3.88Å; L196-W228 HydrophobicContact CD2-CG 4.2Å; L196-W228 HydrophobicContact CD2-CH2 4.31Å; L196-W228 HydrophobicContact CD2-CZ2 4.16Å; L196-W228 HydrophobicContact CD2-CZ3 4.17Å
197M98.6Very high98Very high41 Ų4139.3 Ų39.320%0.20219%0.192CC..Hα-helixtrans-58.4-30179-60.8-52.2-68.300112.9G193 R194 E195 I200 P201 E225 W228 Q229 L232G193-M197 WeakPolarHBondContact O-CG 3.45Å; G193-M197 PolarHBondContact O-N 3.25Å; G193-M197 VanDerWaalsContact O-N 3.14Å; R194-M197 PolarHBondContact O-N 3.42Å; E195-M197 VanDerWaalsContact C-N 3.34Å; E195-M197 PolarHBondContact O-N 2.7Å; M197-I200 HydrophobicContact CE-CD1 4.33Å; M197-I200 HydrophobicContact SD-CD1 3.82Å; M197-P201 WeakPolarHBondContact O-CD 3.29Å; M197-E225 HydrophobicContact CE-CB 4.29Å; M197-W228 HydrophobicContact SD-CB 3.75Å; M197-Q229 HydrophobicContact CE-CB 4.4Å; M197-L232 HydrophobicContact CG-CD1 3.78Å
198K98.2Very high97.8Very high108 Ų10841.9 Ų41.947%0.4720%0.204SC..Hα-helixtrans-75.8-23.9174.6-63.4171.3-169.9172.80113.4R194 E195 L196R194-K198 WeakPolarHBondContact O-CG 3.31Å; R194-K198 PolarHBondContact O-N 3.45Å; E195-K198 WeakPolarHBondContact O-CB 3.4Å; E195-K198 PolarHBondContact O-N 2.81Å; E195-K198 IonicContact OE1-NZ 3.24Å; E195-K198 PolarHBondContact OE1-NZ 3.45Å; L196-K198 PolarHBondContact O-N 3.11Å; L196-K198 VanDerWaalsContact O-N 3.15Å
199V98.6Very high97.7Very high10 Ų1045.1 Ų45.16%0.06121%0.209CC..Hα-helixtrans-89.3-29.4-178.9175.40000112L149 V153 L174 L178 E195 L196 R202 A203L149-V199 HydrophobicContact CD1-CG1 4.28Å; L149-V199 HydrophobicContact CD1-CG2 4.35Å; L149-V199 HydrophobicContact CD2-CG2 4.36Å; V153-V199 HydrophobicContact CG2-CG1 3.7Å; L174-V199 HydrophobicContact CD1-CG1 4.35Å; L174-V199 HydrophobicContact CD2-CG1 4.46Å; L178-V199 HydrophobicContact CD1-CG2 4.32Å; L178-V199 HydrophobicContact CD2-CB 3.99Å; L178-V199 HydrophobicContact CD2-CG1 4.25Å; L178-V199 HydrophobicContact CD2-CG2 3.92Å; E195-V199 WeakPolarHBondContact O-CG2 3.45Å; E195-V199 PolarHBondContact O-N 3.38Å; L196-V199 WeakPolarHBondContact O-CA 3.37Å; L196-V199 PolarHBondContact O-N 3.32Å; V199-R202 WeakPolarHBondContact O-CB 3.45Å; V199-R202 PolarHBondContact O-N 3.3Å; V199-A203 PolarHBondContact O-N 2.99Å
200I98.4Very high97.4Very high0 Ų046.2 Ų46.20%022%0.216CC..Hα-helixtrans-50.8-45.5-179.7-68.5171.9000112.9L196 M197 R202 A203 E204 W221 F224 E225L196-I200 HydrophobicContact CD1-CG1 4.18Å; L196-I200 HydrophobicContact CG-CD1 4.24Å; L196-I200 HydrophobicContact CG-CG1 4.36Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 3.09Å; M197-I200 HydrophobicContact CE-CD1 4.33Å; M197-I200 HydrophobicContact SD-CD1 3.82Å; I200-R202 PolarHBondContact O-N 3.27Å; I200-R202 VanDerWaalsContact O-N 3.16Å; I200-A203 WeakPolarHBondContact O-CA 3.48Å; I200-A203 WeakPolarHBondContact O-CB 3.48Å; I200-A203 PolarHBondContact O-N 3.46Å; I200-E204 PolarHBondContact O-N 2.81Å; I200-W221 HydrophobicContact CG2-CZ2 3.56Å; I200-W221 WeakPolarHBondContact O-CZ2 3.26Å; I200-F224 HydrophobicContact CD1-CD1 4.18Å; I200-F224 HydrophobicContact CD1-CE1 4.06Å; I200-E225 HydrophobicContact CD1-CG 4.12Å; I200-E225 HydrophobicContact CG2-CG 3.91Å; I200-E225 WeakPolarHBondContact CG2-OE1 3.45Å
201P98.3Very high97.1Very high68 Ų6845.7 Ų45.744%0.44221%0.213SC..Hα-helixtrans-58.2-31.4177.4-27.736.2000114.4M197 E204 E205M197-P201 WeakPolarHBondContact O-CD 3.29Å; P201-E204 WeakPolarHBondContact O-CB 3.07Å; P201-E204 PolarHBondContact O-N 2.86Å; P201-E205 PolarHBondContact O-N 3.43Å
202R97.9Very high96.5Very high122 Ų12255.9 Ų55.946%0.4625%0.249SC..Hα-helixtrans-69.7-40175.3-59.6-172.9-179-155.32.4111.6D150 V199 I200 E204 E205 Y206D150-R202 IonicContact OD1-NH1 2.72Å; V199-R202 WeakPolarHBondContact O-CB 3.45Å; V199-R202 PolarHBondContact O-N 3.3Å; I200-R202 PolarHBondContact O-N 3.27Å; I200-R202 VanDerWaalsContact O-N 3.16Å; R202-E204 VanDerWaalsContact C-N 3.27Å; R202-E204 PolarHBondContact O-N 2.92Å; R202-E205 PolarHBondContact O-N 3.21Å; R202-Y206 PolarHBondContact O-N 3.42Å
203A98.1Very high96Very high0 Ų062 Ų620%028%0.277CS..Hα-helixtrans-63.7-36.5173.900000111.4V153 I157 L171 L174 V199 I200 Y206 C207 W221V153-A203 HydrophobicContact CG1-CB 3.88Å; I157-A203 HydrophobicContact CD1-CB 4.1Å; I157-A203 HydrophobicContact CG1-CB 4.33Å; L171-A203 HydrophobicContact CD2-CB 4.34Å; L174-A203 HydrophobicContact CD2-CB 3.61Å; V199-A203 PolarHBondContact O-N 2.99Å; I200-A203 WeakPolarHBondContact O-CA 3.48Å; I200-A203 WeakPolarHBondContact O-CB 3.48Å; I200-A203 PolarHBondContact O-N 3.46Å; A203-Y206 PolarHBondContact O-N 2.93Å; A203-C207 WeakPolarHBondContact O-CB 3.46Å; A203-C207 PolarHBondContact O-N 2.99Å; A203-C207 PolarHBondContact O-SG 3.13Å; A203-W221 HydrophobicContact CB-CH2 3.97Å; A203-W221 HydrophobicContact CB-CZ2 4.38Å
204E97.6Very high95.6Very high58 Ų5863.9 Ų63.927%0.27129%0.286SS..Hα-helixtrans-64.7-43.5175.4-155.7-159.3173.200111I200 P201 R202 Y206 C207 K208 M214 W221I200-E204 PolarHBondContact O-N 2.81Å; P201-E204 WeakPolarHBondContact O-CB 3.07Å; P201-E204 PolarHBondContact O-N 2.86Å; R202-E204 VanDerWaalsContact C-N 3.27Å; R202-E204 PolarHBondContact O-N 2.92Å; E204-Y206 VanDerWaalsContact C-N 3.34Å; E204-Y206 PolarHBondContact O-N 3.37Å; E204-C207 PolarHBondContact O-N 3.02Å; E204-K208 VanDerWaalsContact CD-CE 3.49Å; E204-K208 WeakPolarHBondContact O-CG 3.39Å; E204-K208 PolarHBondContact O-N 3.06Å; E204-K208 WeakPolarHBondContact OE1-CE 3.41Å; E204-K208 IonicContact OE1-NZ 3.49Å; E204-K208 PolarHBondContact OE1-NZ 2.89Å; E204-K208 IonicContact OE2-NZ 3.56Å; E204-K208 PolarHBondContact OE2-NZ 3.31Å; E204-M214 HydrophobicContact CG-CE 4.49Å; E204-W221 HydrophobicContact CB-CH2 3.79Å; E204-W221 HydrophobicContact CB-CZ2 3.39Å; E204-W221 HydrophobicContact CG-CD2 4.28Å; E204-W221 HydrophobicContact CG-CH2 4.15Å; E204-W221 HydrophobicContact CG-CZ2 3.8Å; E204-W221 VanDerWaalsContact N-CH2 3.27Å
205E97.3Very high95.3Very high106 Ų10667 Ų6750%0.49532%0.317SS..Hα-helixtrans-61.8-42.1176.5-165.2-167.3149.300111.8P201 R202 K208 K209P201-E205 PolarHBondContact O-N 3.43Å; R202-E205 PolarHBondContact O-N 3.21Å; E205-K208 PolarHBondContact O-N 3.07Å; E205-K209 WeakPolarHBondContact O-CG 3.28Å; E205-K209 PolarHBondContact O-N 2.84Å; E205-K209 WeakPolarHBondContact OE1-CE 3.43Å; E205-K209 IonicContact OE1-NZ 3.49Å; E205-K209 PolarHBondContact OE1-NZ 3.11Å
206Y97.4Very high94.9Very high32 Ų3270 Ų7013%0.12533%0.331CS..Hα-helixtrans-59.2-50.1172.8177.3-99.4000111.3E154 I157 E158 R202 A203 E204 K208 K209 T210E154-Y206 HydrophobicContact CB-CD2 4.06Å; E154-Y206 HydrophobicContact CB-CE1 4.49Å; E154-Y206 HydrophobicContact CB-CE2 3.63Å; E154-Y206 VanDerWaalsContact CD-CE2 3.44Å; E154-Y206 HydrophobicContact CG-CD2 4.48Å; E154-Y206 HydrophobicContact CG-CE1 4.49Å; E154-Y206 HydrophobicContact CG-CE2 3.58Å; E154-Y206 WeakPolarHBondContact CG-OH 3.31Å; E154-Y206 PolarHBondContact OE1-OH 3.34Å; I157-Y206 HydrophobicContact CB-CD1 4.3Å; I157-Y206 HydrophobicContact CB-CE1 4.31Å; I157-Y206 HydrophobicContact CG2-CD1 3.95Å; I157-Y206 HydrophobicContact CG2-CE1 3.95Å; E158-Y206 HydrophobicContact CG-CE1 4.17Å; E158-Y206 VanDerWaalsContact CG-OH 3.22Å; E158-Y206 WeakPolarHBondContact CG-OH 3.34Å; E158-Y206 WeakPolarHBondContact OE1-CE1 2.95Å; E158-Y206 PolarHBondContact OE1-OH 3.41Å; E158-Y206 VanDerWaalsContact OE1-OH 3.12Å; R202-Y206 PolarHBondContact O-N 3.42Å; A203-Y206 PolarHBondContact O-N 2.93Å; E204-Y206 VanDerWaalsContact C-N 3.34Å; E204-Y206 PolarHBondContact O-N 3.37Å; Y206-K208 VanDerWaalsContact C-N 3.33Å; Y206-K208 PolarHBondContact O-N 3.32Å; Y206-K209 WeakPolarHBondContact O-CB 3.45Å; Y206-K209 PolarHBondContact O-N 3.35Å; Y206-T210 HydrophobicContact CE1-CG2 4.17Å; Y206-T210 HydrophobicContact CE2-CG2 4.07Å; Y206-T210 PolarHBondContact O-N 2.95Å; Y206-T210 PolarHBondContact O-OG1 3.07Å
207C96.7Very high94.8Very high0 Ų070.5 Ų70.50%033%0.332CS..Hα-helixtrans-61-39.4179.6-70.40000112.4A203 E204 K209 T210 I211 M214 W221A203-C207 WeakPolarHBondContact O-CB 3.46Å; A203-C207 PolarHBondContact O-N 2.99Å; A203-C207 PolarHBondContact O-SG 3.13Å; E204-C207 PolarHBondContact O-N 3.02Å; C207-K209 PolarHBondContact O-N 3.44Å; C207-T210 PolarHBondContact O-N 3.08Å; C207-T210 VanDerWaalsContact O-N 3.13Å; C207-I211 HydrophobicContact CB-CD1 3.83Å; C207-I211 HydrophobicContact CB-CG1 4.42Å; C207-I211 VanDerWaalsContact O-CB 3.24Å; C207-I211 WeakPolarHBondContact O-CB 3.31Å; C207-I211 WeakPolarHBondContact O-CG1 3.27Å; C207-I211 PolarHBondContact O-N 3Å; C207-M214 HydrophobicContact CB-CE 4.1Å; C207-M214 HydrophobicContact CB-SD 4.02Å; C207-W221 HydrophobicContact CB-CZ3 4.41Å
208K95.3Very high94.6Very high115 Ų11575.2 Ų75.250%0.535%0.354SS..Hα-helixtrans-60.2-27.1175.7-76.6168.4179.4160.70113E204 E205 Y206 M214E204-K208 VanDerWaalsContact CD-CE 3.49Å; E204-K208 WeakPolarHBondContact O-CG 3.39Å; E204-K208 PolarHBondContact O-N 3.06Å; E204-K208 WeakPolarHBondContact OE1-CE 3.41Å; E204-K208 IonicContact OE1-NZ 3.49Å; E204-K208 PolarHBondContact OE1-NZ 2.89Å; E204-K208 IonicContact OE2-NZ 3.56Å; E204-K208 PolarHBondContact OE2-NZ 3.31Å; E205-K208 PolarHBondContact O-N 3.07Å; Y206-K208 VanDerWaalsContact C-N 3.33Å; Y206-K208 PolarHBondContact O-N 3.32Å; K208-M214 HydrophobicContact CG-CE 4.15Å; K208-M214 HydrophobicContact CG-CG 4.21Å
209K94.1Very high94.4Very high153 Ų15377.6 Ų77.667%0.66537%0.367SS*.Hα-helixtrans-81.8-30.2177-65.8167.9-173.51670112.5E205 Y206 C207E205-K209 WeakPolarHBondContact O-CG 3.28Å; E205-K209 PolarHBondContact O-N 2.84Å; E205-K209 WeakPolarHBondContact OE1-CE 3.43Å; E205-K209 IonicContact OE1-NZ 3.49Å; E205-K209 PolarHBondContact OE1-NZ 3.11Å; Y206-K209 WeakPolarHBondContact O-CB 3.45Å; Y206-K209 PolarHBondContact O-N 3.35Å; C207-K209 PolarHBondContact O-N 3.44Å
210T91.3Very high94.3Very high49 Ų4979 Ų7930%0.30137%0.374SS..Hα-helixtrans-107.4-18.3-17158.80000114.3R161 Y206 C207R161-T210 PolarHBondContact NH1-OG1 3.09Å; Y206-T210 HydrophobicContact CE1-CG2 4.17Å; Y206-T210 HydrophobicContact CE2-CG2 4.07Å; Y206-T210 PolarHBondContact O-N 2.95Å; Y206-T210 PolarHBondContact O-OG1 3.07Å; C207-T210 PolarHBondContact O-N 3.08Å; C207-T210 VanDerWaalsContact O-N 3.13Å
211I91.4Very high94.3Very high15 Ų1579.3 Ų79.38%0.07738%0.375CS..  trans-107.5121.3-178.1-58.1179.8000110.1C207 M214 Y217C207-I211 HydrophobicContact CB-CD1 3.83Å; C207-I211 HydrophobicContact CB-CG1 4.42Å; C207-I211 VanDerWaalsContact O-CB 3.24Å; C207-I211 WeakPolarHBondContact O-CB 3.31Å; C207-I211 WeakPolarHBondContact O-CG1 3.27Å; C207-I211 PolarHBondContact O-N 3Å; I211-M214 HydrophobicContact CB-CG 4.23Å; I211-M214 HydrophobicContact CB-SD 3.69Å; I211-M214 HydrophobicContact CD1-SD 3.93Å; I211-M214 HydrophobicContact CG1-SD 4.31Å; I211-M214 HydrophobicContact CG2-CG 4.26Å; I211-M214 HydrophobicContact CG2-SD 3.83Å; I211-Y217 HydrophobicContact CD1-CD1 4Å; I211-Y217 HydrophobicContact CD1-CE1 3.67Å; I211-Y217 HydrophobicContact CD1-CE2 4.45Å; I211-Y217 HydrophobicContact CG2-CD2 3.97Å; I211-Y217 HydrophobicContact CG2-CE2 3.51Å
212R85.3Confident94.3Very high236 Ų23682.8 Ų82.889%0.89138%0.383SS*.SBendtrans-71.2-36.6-177.9-65.2-176.7-178.7-176.6-0.3113.8
213H88.4Confident94.3Very high129 Ų12980.4 Ų80.460%0.59738%0.375SS*.  trans-11966.8-173.1-61-62.5000111.3A215 E216 Y217H213-A215 PolarHBondContact O-N 3.36Å; H213-A215 VanDerWaalsContact O-N 3.09Å; H213-E216 PolarHBondContact O-N 2.86Å; H213-Y217 WeakPolarHBondContact O-CD2 3.45Å
214M90.5Very high94.3Very high39 Ų3980.4 Ų80.419%0.19238%0.375CS..THydrogen-bonded Turntrans-60.8-19-178.1-80.8-62.8-68.800114.7E204 C207 K208 I211 E216 Y217 Q218E204-M214 HydrophobicContact CG-CE 4.49Å; C207-M214 HydrophobicContact CB-CE 4.1Å; C207-M214 HydrophobicContact CB-SD 4.02Å; K208-M214 HydrophobicContact CG-CE 4.15Å; K208-M214 HydrophobicContact CG-CG 4.21Å; I211-M214 HydrophobicContact CB-CG 4.23Å; I211-M214 HydrophobicContact CB-SD 3.69Å; I211-M214 HydrophobicContact CD1-SD 3.93Å; I211-M214 HydrophobicContact CG1-SD 4.31Å; I211-M214 HydrophobicContact CG2-CG 4.26Å; I211-M214 HydrophobicContact CG2-SD 3.83Å; M214-E216 PolarHBondContact O-N 3.08Å; M214-Y217 WeakPolarHBondContact O-CB 3.33Å; M214-Y217 PolarHBondContact O-N 2.98Å; M214-Q218 PolarHBondContact O-N 3.31Å
215A90.8Very high94.3Very high85 Ų8580 Ų8070%0.70237%0.373SS*.Hα-helixtrans-57.5-35.9179.100000112.7H213 Y217 Q218H213-A215 PolarHBondContact O-N 3.36Å; H213-A215 VanDerWaalsContact O-N 3.09Å; A215-Y217 PolarHBondContact O-N 2.86Å; A215-Q218 PolarHBondContact O-N 3.11Å
216E91.3Very high94.4Very high105 Ų10576 Ų7649%0.49136%0.358SS..Hα-helixtrans-67.7-19.3178.9-60.7174.8154.600112.7F123 H213 M214F123-E216 HydrophobicContact CD1-CB 4.23Å; F123-E216 HydrophobicContact CE1-CB 4.49Å; F123-E216 HydrophobicContact CG-CB 4.27Å; H213-E216 PolarHBondContact O-N 2.86Å; M214-E216 PolarHBondContact O-N 3.08Å
217Y95.1Very high94.4Very high10 Ų1076.9 Ų76.94%0.03936%0.362CS..Hα-helixtrans-96.8-22.3-174.2-64.4-108.4000111.8F123 N165 P167 F170 I211 H213 M214 A215 E219 N220 W221F123-Y217 HydrophobicContact CB-CE2 4.07Å; F123-Y217 HydrophobicContact CD2-CD1 4.14Å; F123-Y217 HydrophobicContact CD2-CD2 4.28Å; F123-Y217 AromaticContact CD2-CE1 3.78Å; F123-Y217 HydrophobicContact CD2-CE1 3.78Å; F123-Y217 AromaticContact CD2-CE2 3.9Å; F123-Y217 HydrophobicContact CD2-CE2 3.9Å; F123-Y217 HydrophobicContact CD2-CG 4.37Å; F123-Y217 AromaticContact CD2-CZ 3.65Å; F123-Y217 HydrophobicContact CE2-CD1 4.46Å; F123-Y217 HydrophobicContact CE2-CE1 4.49Å; F123-Y217 HydrophobicContact CG-CE2 4.28Å; N165-Y217 PolarHBondContact ND2-OH 3.34Å; N165-Y217 WeakPolarHBondContact OD1-CE1 3.49Å; N165-Y217 PolarHBondContact OD1-OH 3.24Å; P167-Y217 HydrophobicContact CG-CD1 3.82Å; P167-Y217 HydrophobicContact CG-CG 4.27Å; P167-Y217 WeakPolarHBondContact CG-O 3.3Å; F170-Y217 AromaticContact CE1-CD1 3.93Å; F170-Y217 HydrophobicContact CE1-CD1 3.93Å; F170-Y217 AromaticContact CE1-CE1 3.97Å; F170-Y217 HydrophobicContact CE1-CE1 3.97Å; F170-Y217 HydrophobicContact CZ-CD1 4.12Å; I211-Y217 HydrophobicContact CD1-CD1 4Å; I211-Y217 HydrophobicContact CD1-CE1 3.67Å; I211-Y217 HydrophobicContact CD1-CE2 4.45Å; I211-Y217 HydrophobicContact CG2-CD2 3.97Å; I211-Y217 HydrophobicContact CG2-CE2 3.51Å; H213-Y217 WeakPolarHBondContact O-CD2 3.45Å; M214-Y217 WeakPolarHBondContact O-CB 3.33Å; M214-Y217 PolarHBondContact O-N 2.98Å; A215-Y217 PolarHBondContact O-N 2.86Å; Y217-E219 PolarHBondContact O-N 3.16Å; Y217-N220 PolarHBondContact O-N 3.24Å; Y217-W221 WeakPolarHBondContact O-CB 3.43Å; Y217-W221 PolarHBondContact O-N 3.12Å
218Q94.5Very high94.5Very high140 Ų14076.9 Ų76.965%0.65436%0.362SS*.Hα-helixtrans-63-44.9-164.3-170.7174.22.200113.8M214 A215 W221 F222M214-Q218 PolarHBondContact O-N 3.31Å; A215-Q218 PolarHBondContact O-N 3.11Å; Q218-W221 WeakPolarHBondContact O-CB 3.45Å; Q218-W221 PolarHBondContact O-N 2.79Å; Q218-F222 PolarHBondContact O-N 3.31Å; Q218-F222 VanDerWaalsContact O-N 3.08Å
219E95.1Very high94.7Very high157 Ų15774.4 Ų74.473%0.73435%0.352SS*.Hα-helixtrans-63.3-45.3178.9-177.5178.317700111.6Y217 W221 F222 Y223Y217-E219 PolarHBondContact O-N 3.16Å; E219-W221 VanDerWaalsContact C-N 3.3Å; E219-W221 PolarHBondContact O-N 3.14Å; E219-F222 PolarHBondContact O-N 3.36Å; E219-Y223 PolarHBondContact O-N 3.1Å
220N96.4Very high94.9Very high39 Ų3973.4 Ų73.421%0.20935%0.349CS..Hα-helixtrans-70.9-27.5-178.9-68.6-62000112.9H166 P167 Y217 F224H166-N220 VanDerWaalsContact CE1-CB 3.44Å; H166-N220 WeakPolarHBondContact CE1-CB 3.41Å; H166-N220 PolarHBondContact CE1-OD1 2.91Å; H166-N220 PolarHBondContact NE2-OD1 2.92Å; H166-N220 VanDerWaalsContact NE2-OD1 3.13Å; P167-N220 HydrophobicContact CB-CB 4.1Å; P167-N220 HydrophobicContact CG-CB 3.82Å; Y217-N220 PolarHBondContact O-N 3.24Å; N220-F224 PolarHBondContact O-N 3.44Å
221W97.6Very high95.2Very high8 Ų871.2 Ų71.23%0.0334%0.335CS..Hα-helixtrans-65.5-53.1170.8-167.2-75.2000110.7P167 F170 L171 I200 A203 E204 C207 Y217 Q218 E219 Y223 F224 E225P167-W221 HydrophobicContact CB-CB 4.22Å; P167-W221 HydrophobicContact CB-CE3 4.12Å; P167-W221 HydrophobicContact CG-CB 4.41Å; P167-W221 HydrophobicContact CG-CE3 4.34Å; F170-W221 HydrophobicContact CE2-CE3 4.32Å; F170-W221 HydrophobicContact CE2-CH2 4.46Å; F170-W221 AromaticContact CE2-CZ3 3.68Å; F170-W221 HydrophobicContact CE2-CZ3 3.68Å; F170-W221 HydrophobicContact CZ-CE3 4.32Å; F170-W221 AromaticContact CZ-CZ3 3.97Å; F170-W221 HydrophobicContact CZ-CZ3 3.97Å; L171-W221 HydrophobicContact CD1-CD2 4.01Å; L171-W221 HydrophobicContact CD1-CE3 4.09Å; L171-W221 HydrophobicContact CD1-CH2 4.38Å; L171-W221 HydrophobicContact CD1-CZ2 4.3Å; L171-W221 HydrophobicContact CD1-CZ3 4.3Å; L171-W221 HydrophobicContact CD2-CH2 3.68Å; L171-W221 HydrophobicContact CD2-CZ2 4Å; L171-W221 HydrophobicContact CD2-CZ3 4.08Å; L171-W221 HydrophobicContact CG-CH2 4.47Å; L171-W221 HydrophobicContact CG-CZ3 4.45Å; I200-W221 HydrophobicContact CG2-CZ2 3.56Å; I200-W221 WeakPolarHBondContact O-CZ2 3.26Å; A203-W221 HydrophobicContact CB-CH2 3.97Å; A203-W221 HydrophobicContact CB-CZ2 4.38Å; E204-W221 HydrophobicContact CB-CH2 3.79Å; E204-W221 HydrophobicContact CB-CZ2 3.39Å; E204-W221 HydrophobicContact CG-CD2 4.28Å; E204-W221 HydrophobicContact CG-CH2 4.15Å; E204-W221 HydrophobicContact CG-CZ2 3.8Å; E204-W221 VanDerWaalsContact N-CH2 3.27Å; C207-W221 HydrophobicContact CB-CZ3 4.41Å; Y217-W221 WeakPolarHBondContact O-CB 3.43Å; Y217-W221 PolarHBondContact O-N 3.12Å; Q218-W221 WeakPolarHBondContact O-CB 3.45Å; Q218-W221 PolarHBondContact O-N 2.79Å; E219-W221 VanDerWaalsContact C-N 3.3Å; E219-W221 PolarHBondContact O-N 3.14Å; W221-Y223 VanDerWaalsContact C-N 3.25Å; W221-Y223 PolarHBondContact O-N 2.99Å; W221-F224 WeakPolarHBondContact O-CB 3.46Å; W221-F224 PolarHBondContact O-N 3.45Å; W221-F224 VanDerWaalsContact O-N 3.08Å; W221-E225 VanDerWaalsContact CD1-CD 3.45Å; W221-E225 PolarHBondContact NE1-OE1 3.2Å; W221-E225 PolarHBondContact O-N 3.23Å; W221-E225 VanDerWaalsContact O-N 3.1Å
222F97.6Very high95.6Very high141 Ų14170.5 Ų70.562%0.61833%0.331SS*.Hα-helixtrans-58.7-39176.9178.6-101.3000111.8Q218 E219 F224 E225 A226Q218-F222 PolarHBondContact O-N 3.31Å; Q218-F222 VanDerWaalsContact O-N 3.08Å; E219-F222 PolarHBondContact O-N 3.36Å; F222-F224 VanDerWaalsContact C-N 3.34Å; F222-F224 PolarHBondContact O-N 2.78Å; F222-E225 PolarHBondContact O-N 3.04Å; F222-A226 HydrophobicContact CE1-CB 4.38Å; F222-A226 HydrophobicContact CZ-CB 4.46Å; F222-A226 VanDerWaalsContact O-CB 3.25Å; F222-A226 WeakPolarHBondContact O-CB 3.42Å; F222-A226 PolarHBondContact O-N 3.01Å
223Y98.1Very high96.1Very high71 Ų7163.5 Ų63.528%0.27831%0.309SS..Hα-helixtrans-55.4-48.2174175.1-90.2000112.2T168 E219 W221 K227 S265 H274T168-Y223 HydrophobicContact CG2-CD1 4.31Å; T168-Y223 HydrophobicContact CG2-CE1 4.12Å; E219-Y223 PolarHBondContact O-N 3.1Å; W221-Y223 VanDerWaalsContact C-N 3.25Å; W221-Y223 PolarHBondContact O-N 2.99Å; Y223-K227 HydrophobicContact CD1-CG 4.34Å; Y223-K227 HydrophobicContact CE1-CG 3.92Å; Y223-K227 HydrophobicContact CE2-CG 4.18Å; Y223-K227 WeakPolarHBondContact O-CB 3.27Å; Y223-K227 VanDerWaalsContact O-CG 3.32Å; Y223-K227 WeakPolarHBondContact O-CG 3.36Å; Y223-K227 PolarHBondContact O-N 3.21Å; Y223-K227 VanDerWaalsContact OH-CE 3.29Å; Y223-K227 WeakPolarHBondContact OH-CE 3.36Å; Y223-S265 WeakPolarHBondContact OH-CB 3.31Å; Y223-H274 AromaticContact CE1-CE1 3.97Å; Y223-H274 AromaticContact CE1-ND1 3.82Å
224F98.6Very high96.5Very high0 Ų061 Ų610%030%0.297CS..Hα-helixtrans-63.3-48.6-179.9-175.4-82.8000111.4L171 T175 I200 N220 W221 F222 A226 K227 W228 H274L171-F224 HydrophobicContact CB-CD1 3.84Å; L171-F224 HydrophobicContact CB-CD2 3.76Å; L171-F224 HydrophobicContact CB-CE1 3.68Å; L171-F224 HydrophobicContact CB-CE2 3.57Å; L171-F224 HydrophobicContact CB-CG 3.88Å; L171-F224 HydrophobicContact CB-CZ 3.53Å; L171-F224 HydrophobicContact CD1-CB 3.88Å; L171-F224 HydrophobicContact CD1-CD1 3.7Å; L171-F224 HydrophobicContact CD1-CD2 4.37Å; L171-F224 HydrophobicContact CD1-CE1 4.32Å; L171-F224 HydrophobicContact CD1-CG 3.73Å; L171-F224 HydrophobicContact CG-CD1 4.4Å; L171-F224 HydrophobicContact CG-CG 4.47Å; T175-F224 WeakPolarHBondContact OG1-CZ 3.19Å; I200-F224 HydrophobicContact CD1-CD1 4.18Å; I200-F224 HydrophobicContact CD1-CE1 4.06Å; N220-F224 PolarHBondContact O-N 3.44Å; W221-F224 WeakPolarHBondContact O-CB 3.46Å; W221-F224 PolarHBondContact O-N 3.45Å; W221-F224 VanDerWaalsContact O-N 3.08Å; F222-F224 VanDerWaalsContact C-N 3.34Å; F222-F224 PolarHBondContact O-N 2.78Å; F224-A226 PolarHBondContact O-N 2.86Å; F224-K227 PolarHBondContact O-N 3.42Å; F224-W228 AromaticContact CD1-CD1 3.7Å; F224-W228 AromaticContact CE1-CD1 3.31Å; F224-W228 HydrophobicContact CE1-CG 4.24Å; F224-W228 AromaticContact CE1-NE1 3.51Å; F224-W228 AromaticContact CE2-NE1 3.68Å; F224-W228 AromaticContact CZ-CD1 3.51Å; F224-W228 AromaticContact CZ-NE1 3.19Å; F224-W228 PolarHBondContact O-N 2.9Å; F224-W228 VanDerWaalsContact O-N 3.11Å; F224-H274 HydrophobicContact CD2-CB 3.54Å; F224-H274 HydrophobicContact CE2-CB 3.76Å; F224-H274 HydrophobicContact CG-CB 4.45Å
225E98.4Very high96.8Very high51 Ų5159.3 Ų59.324%0.23829%0.288CS..Hα-helixtrans-58.5-48.2178.3-73.1178.8154.800111.8M197 I200 W221 F222 K227 W228 Q229M197-E225 HydrophobicContact CE-CB 4.29Å; I200-E225 HydrophobicContact CD1-CG 4.12Å; I200-E225 HydrophobicContact CG2-CG 3.91Å; I200-E225 WeakPolarHBondContact CG2-OE1 3.45Å; W221-E225 VanDerWaalsContact CD1-CD 3.45Å; W221-E225 PolarHBondContact NE1-OE1 3.2Å; W221-E225 PolarHBondContact O-N 3.23Å; W221-E225 VanDerWaalsContact O-N 3.1Å; F222-E225 PolarHBondContact O-N 3.04Å; E225-K227 PolarHBondContact O-N 3.44Å; E225-W228 PolarHBondContact O-N 3.4Å; E225-Q229 WeakPolarHBondContact O-CB 3.04Å; E225-Q229 PolarHBondContact O-N 3.38Å
226A98.4Very high97.2Very high21 Ų2160.3 Ų60.317%0.17428%0.279CS..Hα-helixtrans-61.4-44.5-18000000111.4F222 F224 W228 Q229 F230F222-A226 HydrophobicContact CE1-CB 4.38Å; F222-A226 HydrophobicContact CZ-CB 4.46Å; F222-A226 VanDerWaalsContact O-CB 3.25Å; F222-A226 WeakPolarHBondContact O-CB 3.42Å; F222-A226 PolarHBondContact O-N 3.01Å; F224-A226 PolarHBondContact O-N 2.86Å; A226-W228 PolarHBondContact O-N 2.99Å; A226-Q229 PolarHBondContact O-N 3.14Å; A226-F230 HydrophobicContact CB-CD2 4.4Å; A226-F230 HydrophobicContact CB-CE2 4.11Å; A226-F230 WeakPolarHBondContact O-CD2 3.12Å; A226-F230 WeakPolarHBondContact O-CG 3.12Å; A226-F230 PolarHBondContact O-N 3.16Å
227K98.4Very high97.5Very high50 Ų5055.3 Ų55.322%0.21726%0.255CS..Hα-helixtrans-59.8-43.7177.9-77.1-64.3-165.51670112.5Y223 F224 E225 Y231 W263 M278Y223-K227 HydrophobicContact CD1-CG 4.34Å; Y223-K227 HydrophobicContact CE1-CG 3.92Å; Y223-K227 HydrophobicContact CE2-CG 4.18Å; Y223-K227 WeakPolarHBondContact O-CB 3.27Å; Y223-K227 VanDerWaalsContact O-CG 3.32Å; Y223-K227 WeakPolarHBondContact O-CG 3.36Å; Y223-K227 PolarHBondContact O-N 3.21Å; Y223-K227 VanDerWaalsContact OH-CE 3.29Å; Y223-K227 WeakPolarHBondContact OH-CE 3.36Å; F224-K227 PolarHBondContact O-N 3.42Å; E225-K227 PolarHBondContact O-N 3.44Å; K227-Y231 WeakPolarHBondContact O-CB 3.11Å; K227-Y231 PolarHBondContact O-N 3.24Å; K227-Y231 VanDerWaalsContact O-N 3.12Å; K227-W263 PolarHBondContact NZ-O 2.94Å; K227-M278 HydrophobicContact CB-CE 4.49Å
228W98.8Very high97.5Very high0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-68.2-42.2176.3-85.993.2000112.3T175 F179 L196 M197 F224 E225 A226 F230 Y231 L232 H274 P277 M278 Y281T175-W228 HydrophobicContact CG2-CH2 3.89Å; T175-W228 HydrophobicContact CG2-CZ2 3.66Å; F179-W228 AromaticContact CE2-CH2 3.8Å; F179-W228 HydrophobicContact CE2-CH2 3.8Å; F179-W228 HydrophobicContact CE2-CZ3 4.26Å; F179-W228 AromaticContact CZ-CH2 3.83Å; F179-W228 HydrophobicContact CZ-CH2 3.83Å; F179-W228 AromaticContact CZ-CZ3 3.92Å; F179-W228 HydrophobicContact CZ-CZ3 3.92Å; L196-W228 HydrophobicContact CD2-CD2 3.71Å; L196-W228 HydrophobicContact CD2-CE3 3.88Å; L196-W228 HydrophobicContact CD2-CG 4.2Å; L196-W228 HydrophobicContact CD2-CH2 4.31Å; L196-W228 HydrophobicContact CD2-CZ2 4.16Å; L196-W228 HydrophobicContact CD2-CZ3 4.17Å; M197-W228 HydrophobicContact SD-CB 3.75Å; F224-W228 AromaticContact CD1-CD1 3.7Å; F224-W228 AromaticContact CE1-CD1 3.31Å; F224-W228 HydrophobicContact CE1-CG 4.24Å; F224-W228 AromaticContact CE1-NE1 3.51Å; F224-W228 AromaticContact CE2-NE1 3.68Å; F224-W228 AromaticContact CZ-CD1 3.51Å; F224-W228 AromaticContact CZ-NE1 3.19Å; F224-W228 PolarHBondContact O-N 2.9Å; F224-W228 VanDerWaalsContact O-N 3.11Å; E225-W228 PolarHBondContact O-N 3.4Å; A226-W228 PolarHBondContact O-N 2.99Å; W228-F230 PolarHBondContact O-N 3.27Å; W228-Y231 HydrophobicContact CE3-CD1 4.17Å; W228-Y231 HydrophobicContact CZ3-CD1 4.23Å; W228-Y231 HydrophobicContact CZ3-CE1 4.33Å; W228-Y231 PolarHBondContact O-N 3.13Å; W228-L232 VanDerWaalsContact O-CG 3.25Å; W228-L232 WeakPolarHBondContact O-CG 3.32Å; W228-L232 PolarHBondContact O-N 3.41Å; W228-H274 PolarHBondContact NE1-O 3.46Å; W228-P277 HydrophobicContact CZ2-CB 4.19Å; W228-P277 HydrophobicContact CZ2-CG 4.08Å; W228-M278 HydrophobicContact CD2-CE 3.92Å; W228-M278 HydrophobicContact CE3-CE 4.4Å; W228-M278 HydrophobicContact CG-CE 4.04Å; W228-M278 HydrophobicContact CH2-CB 3.97Å; W228-M278 HydrophobicContact CH2-CG 4.46Å; W228-M278 HydrophobicContact CZ2-CB 3.88Å; W228-Y281 HydrophobicContact CZ3-CD1 4.13Å
229Q98.5Very high97.6Very high63 Ų6356 Ų5629%0.29426%0.258SS..Hα-helixtrans-58.2-49.5176.1-175.261.833.800111.4M197 E225 A226 Y231 L232 E233M197-Q229 HydrophobicContact CE-CB 4.4Å; E225-Q229 WeakPolarHBondContact O-CB 3.04Å; E225-Q229 PolarHBondContact O-N 3.38Å; A226-Q229 PolarHBondContact O-N 3.14Å; Q229-Y231 VanDerWaalsContact C-N 3.32Å; Q229-Y231 PolarHBondContact O-N 3.09Å; Q229-L232 PolarHBondContact O-N 3.31Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.45Å; Q229-E233 PolarHBondContact NE2-OE1 2.85Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 3.43Å
230F98Very high97.3Very high133 Ų13354.6 Ų54.658%0.58326%0.256SS*.Hα-helixtrans-59.7-40.8177.4-73.2-54.4000112.7A226 W228 E233 E234A226-F230 HydrophobicContact CB-CD2 4.4Å; A226-F230 HydrophobicContact CB-CE2 4.11Å; A226-F230 WeakPolarHBondContact O-CD2 3.12Å; A226-F230 WeakPolarHBondContact O-CG 3.12Å; A226-F230 PolarHBondContact O-N 3.16Å; W228-F230 PolarHBondContact O-N 3.27Å; F230-E233 PolarHBondContact O-N 3.03Å; F230-E234 WeakPolarHBondContact O-CB 3.2Å; F230-E234 PolarHBondContact O-N 3.35Å
231Y98.3Very high97Very high2 Ų255.8 Ų55.81%0.00828%0.277CS..Hα-helixtrans-62.8-45.3176.4165.1-98.4000112.3K227 W228 Q229 E233 E234 R235 W263 M278 Y281 D282K227-Y231 WeakPolarHBondContact O-CB 3.11Å; K227-Y231 PolarHBondContact O-N 3.24Å; K227-Y231 VanDerWaalsContact O-N 3.12Å; W228-Y231 HydrophobicContact CE3-CD1 4.17Å; W228-Y231 HydrophobicContact CZ3-CD1 4.23Å; W228-Y231 HydrophobicContact CZ3-CE1 4.33Å; W228-Y231 PolarHBondContact O-N 3.13Å; Q229-Y231 VanDerWaalsContact C-N 3.32Å; Q229-Y231 PolarHBondContact O-N 3.09Å; Y231-E233 VanDerWaalsContact C-N 3.33Å; Y231-E233 PolarHBondContact O-N 3.45Å; Y231-E234 PolarHBondContact O-N 3.25Å; Y231-R235 HydrophobicContact CD2-CG 4.38Å; Y231-R235 HydrophobicContact CE2-CG 3.8Å; Y231-R235 PolarHBondContact O-N 3.12Å; Y231-W263 HydrophobicContact CD2-CD2 4.28Å; Y231-W263 AromaticContact CD2-CE2 3.87Å; Y231-W263 HydrophobicContact CD2-CH2 4.08Å; Y231-W263 AromaticContact CD2-CZ2 3.77Å; Y231-W263 HydrophobicContact CD2-CZ2 3.77Å; Y231-W263 HydrophobicContact CD2-CZ3 4.47Å; Y231-W263 AromaticContact CE2-CH2 3.76Å; Y231-W263 HydrophobicContact CE2-CH2 3.76Å; Y231-W263 AromaticContact CE2-CZ2 3.86Å; Y231-W263 HydrophobicContact CE2-CZ2 3.86Å; Y231-W263 HydrophobicContact CE2-CZ3 4.23Å; Y231-M278 VanDerWaalsContact CB-SD 3.54Å; Y231-M278 HydrophobicContact CD1-CG 3.86Å; Y231-M278 HydrophobicContact CD1-SD 4.36Å; Y231-M278 HydrophobicContact CD2-CG 3.56Å; Y231-M278 HydrophobicContact CD2-SD 3.7Å; Y231-M278 HydrophobicContact CE1-CG 4.16Å; Y231-M278 HydrophobicContact CE2-CG 3.87Å; Y231-M278 HydrophobicContact CG-CE 4.15Å; Y231-M278 HydrophobicContact CG-CG 3.56Å; Y231-M278 HydrophobicContact CG-SD 3.58Å; Y231-M278 VanDerWaalsContact CG-SD 3.58Å; Y231-Y281 AromaticContact CE1-CD1 3.66Å; Y231-Y281 HydrophobicContact CE1-CD1 3.66Å; Y231-Y281 AromaticContact CE1-CE1 3.87Å; Y231-Y281 HydrophobicContact CE1-CE1 3.87Å; Y231-D282 HydrophobicContact CE2-CB 4.19Å; Y231-D282 WeakPolarHBondContact OH-CA 3.48Å; Y231-D282 PolarHBondContact OH-OD1 3.03Å
232L98.5Very high96.7Very high1 Ų158 Ų581%0.00529%0.287CS..Hα-helixtrans-66.8-36.5-179.6-62.9173000112M197 W228 Q229 R235 E236 I237 D238 Y281M197-L232 HydrophobicContact CG-CD1 3.78Å; W228-L232 VanDerWaalsContact O-CG 3.25Å; W228-L232 WeakPolarHBondContact O-CG 3.32Å; W228-L232 PolarHBondContact O-N 3.41Å; Q229-L232 PolarHBondContact O-N 3.31Å; L232-R235 CarbonylContact O-C 3.59Å; L232-R235 PolarHBondContact O-N 3.37Å; L232-E236 PolarHBondContact O-N 3.11Å; L232-I237 HydrophobicContact CB-CG1 4.37Å; L232-I237 HydrophobicContact CD2-CD1 3.8Å; L232-I237 HydrophobicContact CD2-CG1 3.82Å; L232-I237 PolarHBondContact O-N 3.01Å; L232-D238 HydrophobicContact CB-CB 3.9Å; L232-D238 PolarHBondContact O-N 3.31Å; L232-Y281 HydrophobicContact CD2-CE1 4.41Å
233E97.8Very high96.4Very high89 Ų8955.8 Ų55.842%0.41628%0.282SS..Hα-helixtrans-65.6-45.7172.6-72.9172.3-173.700111.4Q229 F230 Y231 R235 E236 D238Q229-E233 WeakPolarHBondContact CG-OE1 3.45Å; Q229-E233 PolarHBondContact NE2-OE1 2.85Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 3.43Å; F230-E233 PolarHBondContact O-N 3.03Å; Y231-E233 VanDerWaalsContact C-N 3.33Å; Y231-E233 PolarHBondContact O-N 3.45Å; E233-R235 PolarHBondContact O-N 3.47Å; E233-E236 PolarHBondContact O-N 3.3Å; E233-D238 HydrophobicContact CG-CB 4.11Å
234E96.4Very high96.2Very high76 Ų7661 Ų6136%0.35531%0.306SS..Hα-helixtrans-60-33.4177-172.1-177.3118.200111.8F230 Y231 R262 W263F230-E234 WeakPolarHBondContact O-CB 3.2Å; F230-E234 PolarHBondContact O-N 3.35Å; Y231-E234 PolarHBondContact O-N 3.25Å; E234-R262 IonicContact OE1-NH2 2.81Å; E234-W263 PolarHBondContact OE1-NE1 2.82Å
235R97.2Very high96Very high3 Ų361.9 Ų61.91%0.01131%0.312CS..THydrogen-bonded Turntrans-87.6-1.9175.3-72.3-61.7-179.8-87.82.4114.7Y231 L232 E233 I237 P245 S246 M259 W263 D282Y231-R235 HydrophobicContact CD2-CG 4.38Å; Y231-R235 HydrophobicContact CE2-CG 3.8Å; Y231-R235 PolarHBondContact O-N 3.12Å; L232-R235 CarbonylContact O-C 3.59Å; L232-R235 PolarHBondContact O-N 3.37Å; E233-R235 PolarHBondContact O-N 3.47Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 HydrophobicContact CB-CD1 4.03Å; R235-I237 HydrophobicContact CB-CG1 3.82Å; R235-I237 PolarHBondContact O-N 3.27Å; R235-P245 CarbonylContact O-C 3.59Å; R235-P245 VanDerWaalsContact O-CA 3.32Å; R235-P245 WeakPolarHBondContact O-CA 3.45Å; R235-S246 WeakPolarHBondContact CD-O 3.41Å; R235-S246 PolarHBondContact O-N 3.17Å; R235-M259 VanDerWaalsContact NH2-CE 3.27Å; R235-M259 PolarHBondContact NH2-SD 2.91Å; R235-W263 VanDerWaalsContact NH2-CZ2 3.32Å; R235-D282 IonicContact CZ-OD1 3.6Å; R235-D282 IonicContact NE-OD1 3.75Å; R235-D282 PolarHBondContact NE-OD1 2.87Å; R235-D282 VanDerWaalsContact NH2-CG 3.35Å; R235-D282 IonicContact NH2-OD1 3.42Å; R235-D282 PolarHBondContact NH2-OD1 2.98Å; R235-D282 IonicContact NH2-OD2 2.67Å; R235-D282 PolarHBondContact NH2-OD2 3.34Å
236E97.8Very high95.8Very high107 Ų10761.8 Ų61.850%0.532%0.317SS..THydrogen-bonded Turntrans52.447.5-175.6-55.6-177.7175.500112.4L232 E233 Q242L232-E236 PolarHBondContact O-N 3.11Å; E233-E236 PolarHBondContact O-N 3.3Å; E236-Q242 WeakPolarHBondContact O-CB 3.43Å; E236-Q242 VanDerWaalsContact O-CD 3.28Å; E236-Q242 WeakPolarHBondContact O-CG 3.44Å; E236-Q242 PolarHBondContact O-OE1 3.45Å
237I97.6Very high95.5Very high0 Ų062.3 Ų62.30%032%0.315CS..  trans-131.515.4178.158.3173.4000113.4R194 L232 R235 P245 Y281 L285R194-I237 PolarHBondContact NH1-O 2.86Å; L232-I237 HydrophobicContact CB-CG1 4.37Å; L232-I237 HydrophobicContact CD2-CD1 3.8Å; L232-I237 HydrophobicContact CD2-CG1 3.82Å; L232-I237 PolarHBondContact O-N 3.01Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 HydrophobicContact CB-CD1 4.03Å; R235-I237 HydrophobicContact CB-CG1 3.82Å; R235-I237 PolarHBondContact O-N 3.27Å; I237-P245 HydrophobicContact CG2-CB 3.97Å; I237-Y281 HydrophobicContact CD1-CE1 4.08Å; I237-L285 HydrophobicContact CD1-CD1 3.77Å
238D96.6Very high94.9Very high34 Ų3463.1 Ų63.118%0.18233%0.326CS..SBendtrans-73.2-24.3-17968-59.9000113.5L232 E233 Q242L232-D238 HydrophobicContact CB-CB 3.9Å; L232-D238 PolarHBondContact O-N 3.31Å; E233-D238 HydrophobicContact CG-CB 4.11Å; D238-Q242 PolarHBondContact OD1-NE2 2.97Å; D238-Q242 PolarHBondContact OD1-OE1 3.06Å
239K94.6Very high93.9Very high130 Ų13071.8 Ų71.857%0.56537%0.372SS*.SBendtrans-112.9157.2-173.6-61.4175.7-172.21680113.6Q242K239-Q242 HydrophobicContact CB-CG 4.45Å; K239-Q242 WeakPolarHBondContact O-CB 3.32Å; K239-Q242 PolarHBondContact O-N 2.92Å
240D90.8Very high92.6Very high128 Ų12870.9 Ų70.968%0.68438%0.38SS*.THydrogen-bonded Turntrans-63.5137.9169.6-69.2-37.7000110.6R194 Q242R194-D240 IonicContact NE-OD1 3.79Å; D240-Q242 VanDerWaalsContact C-N 3.3Å; D240-Q242 PolarHBondContact O-N 3.48Å
241G88.5Confident91.3Very high63 Ų6367 Ų6765%0.64936%0.362SS*.THydrogen-bonded Turntrans89.9-19.8-175.200000114.6N243G241-N243 PolarHBondContact O-N 3.22Å
242Q91.7Very high90.8Very high55 Ų5571.1 Ų71.126%0.25738%0.384SS..  trans-78.398168.6-78.4174.2-2100110.3R194 E236 D238 K239 D240R194-Q242 PolarHBondContact NH1-O 3.5Å; E236-Q242 WeakPolarHBondContact O-CB 3.43Å; E236-Q242 VanDerWaalsContact O-CD 3.28Å; E236-Q242 WeakPolarHBondContact O-CG 3.44Å; E236-Q242 PolarHBondContact O-OE1 3.45Å; D238-Q242 PolarHBondContact OD1-NE2 2.97Å; D238-Q242 PolarHBondContact OD1-OE1 3.06Å; K239-Q242 HydrophobicContact CB-CG 4.45Å; K239-Q242 WeakPolarHBondContact O-CB 3.32Å; K239-Q242 PolarHBondContact O-N 2.92Å; D240-Q242 VanDerWaalsContact C-N 3.3Å; D240-Q242 PolarHBondContact O-N 3.48Å
243N91.4Very high90.5Very high94 Ų9471.6 Ų71.650%0.50339%0.388SS..  trans-120.58.8-173.9-64.1-44.6000113.8V190 R194 G241V190-N243 HydrophobicContact CG2-CB 4.12Å; R194-N243 PolarHBondContact NH2-OD1 2.98Å; G241-N243 PolarHBondContact O-N 3.22Å
244K93.9Very high90.3Very high180 Ų18071.2 Ų71.278%0.78339%0.386SS*.SBendtrans-128.7106.1176.6-175.5-177.7177.7-172.70108
245P94.8Very high90.1Very high20 Ų2071.4 Ų71.413%0.1339%0.387CS..  trans-64.9139.6179.428.1-35.4000110.9R235 I237 F247 L285R235-P245 CarbonylContact O-C 3.59Å; R235-P245 VanDerWaalsContact O-CA 3.32Å; R235-P245 WeakPolarHBondContact O-CA 3.45Å; I237-P245 HydrophobicContact CG2-CB 3.97Å; P245-F247 HydrophobicContact CB-CD2 4.16Å; P245-F247 HydrophobicContact CB-CE2 3.69Å; P245-F247 HydrophobicContact CG-CD2 4.28Å; P245-F247 HydrophobicContact CG-CE2 3.71Å; P245-L285 HydrophobicContact CG-CB 4.42Å; P245-L285 HydrophobicContact CG-CD2 4.29Å
246S94.4Very high89.8Confident48 Ų4871.5 Ų71.534%0.33639%0.388SS..  trans-84.7127.1174.3-1700000110R235R235-S246 WeakPolarHBondContact CD-O 3.41Å; R235-S246 PolarHBondContact O-N 3.17Å
247F92.3Very high89.7Confident32 Ų3267 Ų6714%0.1437%0.367CS..  trans-125.8146.5176.2-79.1-92.1000109.5P245 Y251 D282 L285 A286 P287P245-F247 HydrophobicContact CB-CD2 4.16Å; P245-F247 HydrophobicContact CB-CE2 3.69Å; P245-F247 HydrophobicContact CG-CD2 4.28Å; P245-F247 HydrophobicContact CG-CE2 3.71Å; F247-Y251 HydrophobicContact CD1-CE2 4.25Å; F247-D282 WeakPolarHBondContact CE1-OD1 3.5Å; F247-L285 HydrophobicContact CE2-CB 4.2Å; F247-L285 WeakPolarHBondContact CE2-O 3.44Å; F247-L285 HydrophobicContact CZ-CB 3.91Å; F247-A286 HydrophobicContact CE1-CB 4.49Å; F247-A286 HydrophobicContact CZ-CB 4.39Å; F247-P287 HydrophobicContact CD2-CG 4Å; F247-P287 HydrophobicContact CG-CG 4.46Å
248P86.1Confident89.5Confident68 Ų6871.9 Ų71.944%0.44239%0.389SS..  trans-58.7146.7171.9-21.632.5000112.2G250P248-G250 PolarHBondContact O-N 2.85Å
249D76.6Confident89.4Confident181 Ų18170.6 Ų70.697%0.96838%0.381SS*.SBendtrans-63.6-28.8-179.4-67.2-36.6000113.3
250G72.4Confident89.5Confident45 Ų4564.4 Ų64.446%0.46436%0.355SS..  trans-105.7120.5175.700000111.2P248P248-G250 PolarHBondContact O-N 2.85Å
251Y70.5Confident89.7Confident52 Ų5262.4 Ų62.420%0.20434%0.34CS..  trans-129.980.8174.8-146.8-82.5000109.5F247 T256 M259 Y260 D282 R297F247-Y251 HydrophobicContact CD1-CE2 4.25Å; Y251-T256 WeakPolarHBondContact CD1-OG1 3.24Å; Y251-T256 HydrophobicContact CE1-CG2 3.76Å; Y251-T256 WeakPolarHBondContact CE1-OG1 3.45Å; Y251-M259 HydrophobicContact CE2-CE 3.52Å; Y251-M259 HydrophobicContact CE2-SD 4.32Å; Y251-M259 WeakPolarHBondContact OH-CE 3.49Å; Y251-Y260 PolarHBondContact OH-OH 3.01Å; Y251-Y260 VanDerWaalsContact OH-OH 3.07Å; Y251-D282 PolarHBondContact OH-OD2 3.01Å; Y251-R297 HydrophobicContact CD1-CG 4.5Å; Y251-R297 VanDerWaalsContact CD1-NH2 3.3Å; Y251-R297 VanDerWaalsContact CD2-NH1 3.3Å; Y251-R297 HydrophobicContact CE1-CG 3.8Å; Y251-R297 VanDerWaalsContact CG-NH2 3.31Å; Y251-R297 PolarHBondContact OH-NH1 2.88Å
252D87.7Confident90Very high87 Ų8766.1 Ų66.147%0.46533%0.334SS..  trans-101.2171.3167.769.736.4000110.8E254 E255 T256D252-E254 PolarHBondContact O-N 2.66Å; D252-E254 WeakPolarHBondContact OD1-CA 3.41Å; D252-E254 WeakPolarHBondContact OD1-CB 3.37Å; D252-E254 PolarHBondContact OD1-N 3.22Å; D252-E255 PolarHBondContact O-N 3.26Å; D252-E255 PolarHBondContact OD1-N 2.71Å; D252-T256 WeakPolarHBondContact O-CB 2.96Å; D252-T256 PolarHBondContact O-N 3.45Å; D252-T256 PolarHBondContact O-OG1 3.04Å
253A91.5Very high90.1Very high11 Ų1164.2 Ų64.29%0.09133%0.325CS..Hα-helixtrans-61.2-29.2-17700000113.4K31 D257K31-A253 HydrophobicContact CB-CB 4.22Å; A253-D257 PolarHBondContact O-N 2.93Å; A253-D257 VanDerWaalsContact O-N 3.13Å
254E92.9Very high90.2Very high82 Ų8260.1 Ų60.138%0.38330%0.304SS..Hα-helixtrans-76.6-44.1179.2-66-176.6-164.200111.3K31 D252 T256 D257 K258K31-E254 HydrophobicContact CB-CG 4.24Å; K31-E254 HydrophobicContact CD-CG 3.96Å; K31-E254 WeakPolarHBondContact CD-OE1 3.47Å; K31-E254 WeakPolarHBondContact CE-OE1 3.48Å; K31-E254 IonicContact NZ-OE1 2.73Å; K31-E254 PolarHBondContact NZ-OE1 3.26Å; D252-E254 PolarHBondContact O-N 2.66Å; D252-E254 WeakPolarHBondContact OD1-CA 3.41Å; D252-E254 WeakPolarHBondContact OD1-CB 3.37Å; D252-E254 PolarHBondContact OD1-N 3.22Å; E254-T256 VanDerWaalsContact C-N 3.31Å; E254-D257 PolarHBondContact O-N 2.9Å; E254-K258 VanDerWaalsContact O-CG 3.31Å; E254-K258 WeakPolarHBondContact O-CG 3.48Å; E254-K258 PolarHBondContact O-N 3.09Å
255E91.9Very high90Very high79 Ų7952.6 Ų52.637%0.36927%0.274SS..Hα-helixtrans-65-37174.8-70.1-54.1129.600111.7D252 K258 M259D252-E255 PolarHBondContact O-N 3.26Å; D252-E255 PolarHBondContact OD1-N 2.71Å; E255-K258 PolarHBondContact O-N 3.27Å; E255-K258 IonicContact OE1-NZ 3Å; E255-K258 PolarHBondContact OE1-NZ 3.36Å; E255-M259 WeakPolarHBondContact O-CB 3.36Å; E255-M259 PolarHBondContact O-N 3.07Å
256T92.6Very high89.5Confident5 Ų558.3 Ų58.33%0.03130%0.298CS..Hα-helixtrans-58.5-52.2173.3-55.90000110.9Y251 D252 E254 K258 M259 Y260Y251-T256 WeakPolarHBondContact CD1-OG1 3.24Å; Y251-T256 HydrophobicContact CE1-CG2 3.76Å; Y251-T256 WeakPolarHBondContact CE1-OG1 3.45Å; D252-T256 WeakPolarHBondContact O-CB 2.96Å; D252-T256 PolarHBondContact O-N 3.45Å; D252-T256 PolarHBondContact O-OG1 3.04Å; E254-T256 VanDerWaalsContact C-N 3.31Å; T256-K258 VanDerWaalsContact C-N 3.34Å; T256-K258 PolarHBondContact O-N 3.1Å; T256-M259 PolarHBondContact O-N 2.92Å; T256-Y260 HydrophobicContact CG2-CD1 4.44Å; T256-Y260 HydrophobicContact CG2-CD2 3.84Å; T256-Y260 HydrophobicContact CG2-CE1 3.95Å; T256-Y260 HydrophobicContact CG2-CE2 3.27Å; T256-Y260 HydrophobicContact CG2-CG 4.38Å; T256-Y260 WeakPolarHBondContact O-CB 3.5Å; T256-Y260 VanDerWaalsContact O-CG 3.26Å; T256-Y260 PolarHBondContact O-N 3.34Å
257D95Very high89.2Confident13 Ų1358 Ų587%0.0730%0.303CS..Hα-helixtrans-60.2-42177.8-83.5-1.7000112.3S29 G30 A253 E254 M259 K261 G302S29-D257 WeakPolarHBondContact CA-OD2 3.48Å; G30-D257 PolarHBondContact N-OD2 2.84Å; A253-D257 PolarHBondContact O-N 2.93Å; A253-D257 VanDerWaalsContact O-N 3.13Å; E254-D257 PolarHBondContact O-N 2.9Å; D257-M259 VanDerWaalsContact C-N 3.34Å; D257-K261 WeakPolarHBondContact O-CB 3.27Å; D257-K261 WeakPolarHBondContact O-CD 3.36Å; D257-K261 WeakPolarHBondContact O-CG 3.47Å; D257-K261 PolarHBondContact O-N 3.24Å; D257-G302 PolarHBondContact OD1-N 3.12Å
258K94.2Very high89.1Confident103 Ų10362.9 Ų62.945%0.44832%0.321SS..Hα-helixtrans-60.6-46.5177.3-74171.8-164.6166.50110.7E254 E255 T256 K261 R262E254-K258 VanDerWaalsContact O-CG 3.31Å; E254-K258 WeakPolarHBondContact O-CG 3.48Å; E254-K258 PolarHBondContact O-N 3.09Å; E255-K258 PolarHBondContact O-N 3.27Å; E255-K258 IonicContact OE1-NZ 3Å; E255-K258 PolarHBondContact OE1-NZ 3.36Å; T256-K258 VanDerWaalsContact C-N 3.34Å; T256-K258 PolarHBondContact O-N 3.1Å; K258-K261 PolarHBondContact O-N 3.47Å; K258-R262 WeakPolarHBondContact O-CG 3.37Å; K258-R262 PolarHBondContact O-N 3.35Å
259M93.7Very high89.6Confident6 Ų659.9 Ų59.93%0.0330%0.302CS..Hα-helixtrans-63.8-48-179.9-175.7175.972.300111.8R235 Y251 E255 T256 D257 K261 R262 W263 D282R235-M259 VanDerWaalsContact NH2-CE 3.27Å; R235-M259 PolarHBondContact NH2-SD 2.91Å; Y251-M259 HydrophobicContact CE2-CE 3.52Å; Y251-M259 HydrophobicContact CE2-SD 4.32Å; Y251-M259 WeakPolarHBondContact OH-CE 3.49Å; E255-M259 WeakPolarHBondContact O-CB 3.36Å; E255-M259 PolarHBondContact O-N 3.07Å; T256-M259 PolarHBondContact O-N 2.92Å; D257-M259 VanDerWaalsContact C-N 3.34Å; M259-K261 VanDerWaalsContact C-N 3.28Å; M259-K261 PolarHBondContact O-N 3.42Å; M259-R262 WeakPolarHBondContact O-CB 3.41Å; M259-R262 PolarHBondContact O-N 3.43Å; M259-W263 HydrophobicContact CE-CH2 3.46Å; M259-W263 VanDerWaalsContact CE-CH2 3.46Å; M259-W263 HydrophobicContact CE-CZ2 4.05Å; M259-W263 HydrophobicContact CE-CZ3 4.08Å; M259-W263 HydrophobicContact CG-CH2 3.83Å; M259-W263 HydrophobicContact CG-CZ2 3.52Å; M259-W263 HydrophobicContact CG-CZ3 4.45Å; M259-W263 PolarHBondContact O-N 3.26Å; M259-W263 HydrophobicContact SD-CH2 3.8Å; M259-W263 HydrophobicContact SD-CZ2 3.74Å; M259-D282 WeakPolarHBondContact CE-OD2 3.21Å
260Y95.9Very high90.5Very high1 Ų151.3 Ų51.30%0.00426%0.256CS..Hα-helixtrans-61.6-37.7179-66.8-6000111.7Y251 T256 R262 W263 S264 A269 I279 R297 H301Y251-Y260 PolarHBondContact OH-OH 3.01Å; Y251-Y260 VanDerWaalsContact OH-OH 3.07Å; T256-Y260 HydrophobicContact CG2-CD1 4.44Å; T256-Y260 HydrophobicContact CG2-CD2 3.84Å; T256-Y260 HydrophobicContact CG2-CE1 3.95Å; T256-Y260 HydrophobicContact CG2-CE2 3.27Å; T256-Y260 HydrophobicContact CG2-CG 4.38Å; T256-Y260 WeakPolarHBondContact O-CB 3.5Å; T256-Y260 VanDerWaalsContact O-CG 3.26Å; T256-Y260 PolarHBondContact O-N 3.34Å; Y260-R262 VanDerWaalsContact C-N 3.28Å; Y260-R262 PolarHBondContact O-N 2.84Å; Y260-W263 AromaticContact CD1-CE3 3.87Å; Y260-W263 HydrophobicContact CD1-CE3 3.87Å; Y260-W263 HydrophobicContact CD1-CH2 4.25Å; Y260-W263 AromaticContact CD1-CZ3 3.48Å; Y260-W263 HydrophobicContact CD1-CZ3 3.48Å; Y260-W263 VanDerWaalsContact CD1-CZ3 3.48Å; Y260-W263 HydrophobicContact CE1-CE3 4.48Å; Y260-W263 HydrophobicContact CE1-CH2 4.28Å; Y260-W263 AromaticContact CE1-CZ3 3.68Å; Y260-W263 HydrophobicContact CE1-CZ3 3.68Å; Y260-W263 PolarHBondContact O-N 3.11Å; Y260-S264 PolarHBondContact O-N 3.32Å; Y260-A269 WeakPolarHBondContact O-CB 3.38Å; Y260-I279 HydrophobicContact CD1-CG1 4.05Å; Y260-I279 HydrophobicContact CD1-CG2 4.47Å; Y260-I279 HydrophobicContact CD2-CD1 4.29Å; Y260-I279 HydrophobicContact CD2-CG1 4.41Å; Y260-I279 HydrophobicContact CD2-CG2 4.01Å; Y260-I279 HydrophobicContact CE1-CG1 4.37Å; Y260-I279 HydrophobicContact CE1-CG2 4.11Å; Y260-I279 HydrophobicContact CE2-CG2 3.6Å; Y260-I279 HydrophobicContact CG-CD1 4.1Å; Y260-I279 HydrophobicContact CG-CG1 4.1Å; Y260-I279 HydrophobicContact CG-CG2 4.44Å; Y260-R297 VanDerWaalsContact CE2-O 3.31Å; Y260-R297 WeakPolarHBondContact CE2-O 3.47Å; Y260-R297 PolarHBondContact OH-O 3.43Å; Y260-R297 VanDerWaalsContact OH-O 3.05Å; Y260-H301 HydrophobicContact CD2-CB 3.99Å; Y260-H301 AromaticContact CD2-CG 3.84Å; Y260-H301 HydrophobicContact CE2-CB 3.91Å; Y260-H301 AromaticContact CE2-CD2 3.82Å; Y260-H301 AromaticContact CE2-CG 3.81Å
261K95.4Very high91.5Very high85 Ų8552.4 Ų52.437%0.3725%0.246SC..Hα-helixtrans-61-32.7172.9-76169.3-176.8165.70113D257 K258 M259 S264D257-K261 WeakPolarHBondContact O-CB 3.27Å; D257-K261 WeakPolarHBondContact O-CD 3.36Å; D257-K261 WeakPolarHBondContact O-CG 3.47Å; D257-K261 PolarHBondContact O-N 3.24Å; K258-K261 PolarHBondContact O-N 3.47Å; M259-K261 VanDerWaalsContact C-N 3.28Å; M259-K261 PolarHBondContact O-N 3.42Å; K261-S264 PolarHBondContact O-N 3.03Å; K261-S264 PolarHBondContact O-OG 3.15Å
262R94.1Very high92.8Very high142 Ų14251.3 Ų51.354%0.53624%0.241SC..Hα-helixtrans-66-36.6176.3-64.9-168.8-61.3-1295.3112.6E234 K258 M259 Y260E234-R262 IonicContact OE1-NH2 2.81Å; K258-R262 WeakPolarHBondContact O-CG 3.37Å; K258-R262 PolarHBondContact O-N 3.35Å; M259-R262 WeakPolarHBondContact O-CB 3.41Å; M259-R262 PolarHBondContact O-N 3.43Å; Y260-R262 VanDerWaalsContact C-N 3.28Å; Y260-R262 PolarHBondContact O-N 2.84Å
263W94.8Very high93.2Very high14 Ų1447.1 Ų47.15%0.05322%0.219CC..Hα-helixtrans-79-28.4178.9-54.6-30.3000112.5K227 Y231 E234 R235 M259 Y260 H274 M278 I279 D282K227-W263 PolarHBondContact NZ-O 2.94Å; Y231-W263 HydrophobicContact CD2-CD2 4.28Å; Y231-W263 AromaticContact CD2-CE2 3.87Å; Y231-W263 HydrophobicContact CD2-CH2 4.08Å; Y231-W263 AromaticContact CD2-CZ2 3.77Å; Y231-W263 HydrophobicContact CD2-CZ2 3.77Å; Y231-W263 HydrophobicContact CD2-CZ3 4.47Å; Y231-W263 AromaticContact CE2-CH2 3.76Å; Y231-W263 HydrophobicContact CE2-CH2 3.76Å; Y231-W263 AromaticContact CE2-CZ2 3.86Å; Y231-W263 HydrophobicContact CE2-CZ2 3.86Å; Y231-W263 HydrophobicContact CE2-CZ3 4.23Å; E234-W263 PolarHBondContact OE1-NE1 2.82Å; R235-W263 VanDerWaalsContact NH2-CZ2 3.32Å; M259-W263 HydrophobicContact CE-CH2 3.46Å; M259-W263 VanDerWaalsContact CE-CH2 3.46Å; M259-W263 HydrophobicContact CE-CZ2 4.05Å; M259-W263 HydrophobicContact CE-CZ3 4.08Å; M259-W263 HydrophobicContact CG-CH2 3.83Å; M259-W263 HydrophobicContact CG-CZ2 3.52Å; M259-W263 HydrophobicContact CG-CZ3 4.45Å; M259-W263 PolarHBondContact O-N 3.26Å; M259-W263 HydrophobicContact SD-CH2 3.8Å; M259-W263 HydrophobicContact SD-CZ2 3.74Å; Y260-W263 AromaticContact CD1-CE3 3.87Å; Y260-W263 HydrophobicContact CD1-CE3 3.87Å; Y260-W263 HydrophobicContact CD1-CH2 4.25Å; Y260-W263 AromaticContact CD1-CZ3 3.48Å; Y260-W263 HydrophobicContact CD1-CZ3 3.48Å; Y260-W263 VanDerWaalsContact CD1-CZ3 3.48Å; Y260-W263 HydrophobicContact CE1-CE3 4.48Å; Y260-W263 HydrophobicContact CE1-CH2 4.28Å; Y260-W263 AromaticContact CE1-CZ3 3.68Å; Y260-W263 HydrophobicContact CE1-CZ3 3.68Å; Y260-W263 PolarHBondContact O-N 3.11Å; W263-H274 PolarHBondContact O-NE2 2.66Å; W263-M278 HydrophobicContact CB-SD 3.91Å; W263-M278 HydrophobicContact CD2-SD 4.12Å; W263-M278 HydrophobicContact CE3-CG 4.48Å; W263-M278 HydrophobicContact CE3-SD 4.29Å; W263-M278 HydrophobicContact CG-SD 3.96Å; W263-I279 HydrophobicContact CE3-CG1 4.05Å; W263-I279 HydrophobicContact CZ3-CG1 4.26Å; W263-D282 HydrophobicContact CH2-CB 4.06Å; W263-D282 HydrophobicContact CZ3-CB 4.07Å
264S94.2Very high93.6Very high9 Ų946.6 Ų46.66%0.06322%0.215CC..SBendtrans-62.1165-177.779.10000115.3Y260 K261 G267 R268 D275Y260-S264 PolarHBondContact O-N 3.32Å; K261-S264 PolarHBondContact O-N 3.03Å; K261-S264 PolarHBondContact O-OG 3.15Å; S264-G267 VanDerWaalsContact OG-CA 3.3Å; S264-G267 WeakPolarHBondContact OG-CA 3.17Å; S264-G267 PolarHBondContact OG-N 3.36Å; S264-R268 WeakPolarHBondContact CB-O 3.31Å; S264-R268 PolarHBondContact OG-N 3.24Å; S264-D275 VanDerWaalsContact CA-OD2 3.26Å; S264-D275 WeakPolarHBondContact CA-OD2 3.32Å; S264-D275 WeakPolarHBondContact CB-OD2 3.3Å
265S88.7Confident93.8Very high22 Ų2242.7 Ų42.715%0.15420%0.196CC..BIsolated β-bridgetrans-98.6147.5157.876.10000109.9Y223 G267 R268 R272Y223-S265 WeakPolarHBondContact OH-CB 3.31Å; S265-G267 PolarHBondContact O-N 3.47Å; S265-R268 PolarHBondContact O-N 3.47Å; S265-R272 WeakPolarHBondContact OG-CG 3.24Å; S265-R272 PolarHBondContact OG-NE 2.63Å; S265-R272 VanDerWaalsContact OG-NE 3.17Å
266E85.3Confident94.1Very high139 Ų13939 Ų3965%0.6518%0.179SC*.THydrogen-bonded Turntrans57.116.4177.7-59.7161.9-151.600115R268 R271 R272E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 2.99Å; E266-R271 IonicContact OE2-NH1 2.88Å; E266-R271 PolarHBondContact OE2-NH1 3Å; E266-R272 IonicContact OE1-CZ 2.97Å; E266-R272 IonicContact OE1-NH2 2.75Å; E266-R272 PolarHBondContact OE1-NH2 3.01Å; E266-R272 IonicContact OE2-NH2 3.27Å; E266-R272 PolarHBondContact OE2-NH2 3.46Å
267G87.1Confident94.4Very high42 Ų4238.7 Ų38.743%0.43318%0.177SC..THydrogen-bonded Turntrans72.914.5179.700000114.8S264 S265S264-G267 VanDerWaalsContact OG-CA 3.3Å; S264-G267 WeakPolarHBondContact OG-CA 3.17Å; S264-G267 PolarHBondContact OG-N 3.36Å; S265-G267 PolarHBondContact O-N 3.47Å
268R90.9Very high94.6Very high135 Ų13538.2 Ų38.251%0.50918%0.175SC..BIsolated β-bridgetrans-114.7101.3176.9-64.8-169.7-172.3-168.42.6110.2S264 S265 E266 R271S264-R268 WeakPolarHBondContact CB-O 3.31Å; S264-R268 PolarHBondContact OG-N 3.24Å; S265-R268 PolarHBondContact O-N 3.47Å; E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 2.99Å; R268-R271 HydrophobicContact CB-CB 4.07Å; R268-R271 WeakPolarHBondContact O-CB 3.48Å
269A95.4Very high94.8Very high5 Ų533.3 Ų33.34%0.04115%0.153CC..THydrogen-bonded Turntrans-75.4140.2-173.400000113Y260 R271 I279 G303 E304Y260-A269 WeakPolarHBondContact O-CB 3.38Å; A269-R271 PolarHBondContact O-N 3.01Å; A269-I279 HydrophobicContact CB-CD1 3.83Å; A269-G303 CarbonylContact O-C 3.59Å; A269-G303 VanDerWaalsContact O-CA 3.27Å; A269-G303 WeakPolarHBondContact O-CA 3.5Å; A269-E304 PolarHBondContact O-N 3.33Å
270G96Very high95.1Very high0 Ų033 Ų330%015%0.152CC..THydrogen-bonded Turntrans79.92.2-17800000113.5F130 R272 D275 A276F130-G270 WeakPolarHBondContact CB-O 3.42Å; G270-R272 PolarHBondContact O-N 2.97Å; G270-D275 VanDerWaalsContact N-CG 3.32Å; G270-D275 PolarHBondContact N-OD2 3.06Å; G270-A276 WeakPolarHBondContact O-CB 3.22Å
271R94.3Very high95.2Very high69 Ų6933 Ų3326%0.2615%0.152SC..  trans-79.3-18.5-173.5-168.3170.7175.2-134.1-0.5114.2G129 F130 E266 R268 A269 D275 E304G129-R271 WeakPolarHBondContact CA-O 3.05Å; F130-R271 PolarHBondContact N-O 2.87Å; E266-R271 IonicContact OE2-NH1 2.88Å; E266-R271 PolarHBondContact OE2-NH1 3Å; R268-R271 HydrophobicContact CB-CB 4.07Å; R268-R271 WeakPolarHBondContact O-CB 3.48Å; A269-R271 PolarHBondContact O-N 3.01Å; R271-D275 PolarHBondContact N-OD1 3.23Å; R271-E304 VanDerWaalsContact CA-CG 3.49Å; R271-E304 HydrophobicContact CB-CG 3.7Å; R271-E304 HydrophobicContact CG-CG 4.07Å
272R96.4Very high95.3Very high28 Ų2828.9 Ų28.911%0.10613%0.134CC..BIsolated β-bridgetrans-117.8163.6-174-57.6-57.3-174.7175.11.9110.8S128 T168 S265 E266 G270 H274 D275 A276S128-R272 VanDerWaalsContact O-CA 3.27Å; S128-R272 WeakPolarHBondContact O-CA 3.49Å; S128-R272 WeakPolarHBondContact O-CB 3.46Å; S128-R272 WeakPolarHBondContact O-CD 3.11Å; S128-R272 PolarHBondContact OG-NH1 3.46Å; T168-R272 HydrophobicContact CG2-CB 4.12Å; S265-R272 WeakPolarHBondContact OG-CG 3.24Å; S265-R272 PolarHBondContact OG-NE 2.63Å; S265-R272 VanDerWaalsContact OG-NE 3.17Å; E266-R272 IonicContact OE1-CZ 2.97Å; E266-R272 IonicContact OE1-NH2 2.75Å; E266-R272 PolarHBondContact OE1-NH2 3.01Å; E266-R272 IonicContact OE2-NH2 3.27Å; E266-R272 PolarHBondContact OE2-NH2 3.46Å; G270-R272 PolarHBondContact O-N 2.97Å; R272-H274 VanDerWaalsContact CB-ND1 3.34Å; R272-H274 WeakPolarHBondContact CB-ND1 3.21Å; R272-H274 PolarHBondContact O-N 3.28Å; R272-D275 WeakPolarHBondContact CA-OD1 3.26Å; R272-D275 WeakPolarHBondContact CB-OD1 3.46Å; R272-D275 PolarHBondContact N-OD1 3.5Å; R272-D275 PolarHBondContact O-N 3.02Å; R272-A276 WeakPolarHBondContact O-CB 3.32Å; R272-A276 PolarHBondContact O-N 2.96Å; R272-A276 VanDerWaalsContact O-N 3.15Å
273G97.4Very high95.5Very high0 Ų022.1 Ų22.10%011%0.109CC..THydrogen-bonded Turntrans-65.7-17.6177.900000113.9S128 G129 T168 G172 P277S128-G273 PolarHBondContact O-N 3.47Å; G129-G273 PolarHBondContact O-N 3.06Å; T168-G273 CarbonylContact O-C 3.22Å; T168-G273 VanDerWaalsContact O-C 3.22Å; T168-G273 WeakPolarHBondContact O-CA 3.49Å; G172-G273 WeakPolarHBondContact CA-O 3.4Å; G273-P277 VanDerWaalsContact O-CD 3.22Å; G273-P277 WeakPolarHBondContact O-CD 3.27Å; G273-P277 WeakPolarHBondContact O-CG 3.31Å
274H98.6Very high95.7Very high0 Ų022.1 Ų22.10%011%0.109CC..THydrogen-bonded Turntrans-81.3-41.9175.476.3-75.8000113.2T168 Y223 F224 W228 W263 R272 M278T168-H274 HydrophobicContact CG2-CB 4.09Å; T168-H274 PolarHBondContact O-N 2.83Å; Y223-H274 AromaticContact CE1-CE1 3.97Å; Y223-H274 AromaticContact CE1-ND1 3.82Å; F224-H274 HydrophobicContact CD2-CB 3.54Å; F224-H274 HydrophobicContact CE2-CB 3.76Å; F224-H274 HydrophobicContact CG-CB 4.45Å; W228-H274 PolarHBondContact NE1-O 3.46Å; W263-H274 PolarHBondContact O-NE2 2.66Å; R272-H274 VanDerWaalsContact CB-ND1 3.34Å; R272-H274 WeakPolarHBondContact CB-ND1 3.21Å; R272-H274 PolarHBondContact O-N 3.28Å; H274-M278 WeakPolarHBondContact O-CB 3.37Å
275D98.5Very high95.8Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-95.6-27.3-17062.9-17.3000114.1S264 G270 R271 R272 M278 I279S264-D275 VanDerWaalsContact CA-OD2 3.26Å; S264-D275 WeakPolarHBondContact CA-OD2 3.32Å; S264-D275 WeakPolarHBondContact CB-OD2 3.3Å; G270-D275 VanDerWaalsContact N-CG 3.32Å; G270-D275 PolarHBondContact N-OD2 3.06Å; R271-D275 PolarHBondContact N-OD1 3.23Å; R272-D275 WeakPolarHBondContact CA-OD1 3.26Å; R272-D275 WeakPolarHBondContact CB-OD1 3.46Å; R272-D275 PolarHBondContact N-OD1 3.5Å; R272-D275 PolarHBondContact O-N 3.02Å; D275-M278 PolarHBondContact O-N 2.97Å; D275-I279 WeakPolarHBondContact O-CB 3.2Å; D275-I279 VanDerWaalsContact O-CG1 3.32Å; D275-I279 WeakPolarHBondContact O-CG1 3.47Å; D275-I279 PolarHBondContact O-N 3.11Å
276A98.4Very high96.1Very high0 Ų021.4 Ų21.40%010%0.104CC..Hα-helixtrans-55.8-55.7173.400000112.8F130 G270 R272 M278 A280 A307 I311F130-A276 HydrophobicContact CB-CB 3.76Å; G270-A276 WeakPolarHBondContact O-CB 3.22Å; R272-A276 WeakPolarHBondContact O-CB 3.32Å; R272-A276 PolarHBondContact O-N 2.96Å; R272-A276 VanDerWaalsContact O-N 3.15Å; A276-M278 VanDerWaalsContact C-N 3.29Å; A276-M278 PolarHBondContact O-N 3.33Å; A276-A280 PolarHBondContact O-N 3.44Å; A276-A280 VanDerWaalsContact O-N 3.17Å; A276-A307 HydrophobicContact CB-CB 4.48Å; A276-I311 HydrophobicContact CB-CD1 3.98Å
277P98.9Very high96Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-65.3-29.617421.5-31000114A133 T175 T176 W228 G273 Y281A133-P277 HydrophobicContact CB-CG 4.48Å; T175-P277 HydrophobicContact CG2-CB 3.69Å; T175-P277 HydrophobicContact CG2-CG 4.09Å; T176-P277 HydrophobicContact CG2-CB 3.8Å; T176-P277 HydrophobicContact CG2-CG 4.43Å; W228-P277 HydrophobicContact CZ2-CB 4.19Å; W228-P277 HydrophobicContact CZ2-CG 4.08Å; G273-P277 VanDerWaalsContact O-CD 3.22Å; G273-P277 WeakPolarHBondContact O-CD 3.27Å; G273-P277 WeakPolarHBondContact O-CG 3.31Å; P277-Y281 WeakPolarHBondContact O-CB 3.3Å; P277-Y281 PolarHBondContact O-N 3.1Å
278M98.8Very high95.6Very high2 Ų220.3 Ų20.31%0.0111%0.113CC..Hα-helixtrans-67.7-44.7179.4-174.8-175.5-66.800111.7K227 W228 Y231 W263 H274 D275 A276 Y281 D282K227-M278 HydrophobicContact CB-CE 4.49Å; W228-M278 HydrophobicContact CD2-CE 3.92Å; W228-M278 HydrophobicContact CE3-CE 4.4Å; W228-M278 HydrophobicContact CG-CE 4.04Å; W228-M278 HydrophobicContact CH2-CB 3.97Å; W228-M278 HydrophobicContact CH2-CG 4.46Å; W228-M278 HydrophobicContact CZ2-CB 3.88Å; Y231-M278 VanDerWaalsContact CB-SD 3.54Å; Y231-M278 HydrophobicContact CD1-CG 3.86Å; Y231-M278 HydrophobicContact CD1-SD 4.36Å; Y231-M278 HydrophobicContact CD2-CG 3.56Å; Y231-M278 HydrophobicContact CD2-SD 3.7Å; Y231-M278 HydrophobicContact CE1-CG 4.16Å; Y231-M278 HydrophobicContact CE2-CG 3.87Å; Y231-M278 HydrophobicContact CG-CE 4.15Å; Y231-M278 HydrophobicContact CG-CG 3.56Å; Y231-M278 HydrophobicContact CG-SD 3.58Å; Y231-M278 VanDerWaalsContact CG-SD 3.58Å; W263-M278 HydrophobicContact CB-SD 3.91Å; W263-M278 HydrophobicContact CD2-SD 4.12Å; W263-M278 HydrophobicContact CE3-CG 4.48Å; W263-M278 HydrophobicContact CE3-SD 4.29Å; W263-M278 HydrophobicContact CG-SD 3.96Å; H274-M278 WeakPolarHBondContact O-CB 3.37Å; D275-M278 PolarHBondContact O-N 2.97Å; A276-M278 VanDerWaalsContact C-N 3.29Å; A276-M278 PolarHBondContact O-N 3.33Å; M278-Y281 PolarHBondContact O-N 2.88Å; M278-D282 WeakPolarHBondContact O-CB 3.17Å; M278-D282 PolarHBondContact O-N 3.07Å
279I98.7Very high95.1Very high0 Ų015.4 Ų15.40%010%0.1CC..Hα-helixtrans-66.3-43176.7-68.7163.9000110.4Y260 W263 A269 D275 Y281 D282 A283 T308Y260-I279 HydrophobicContact CD1-CG1 4.05Å; Y260-I279 HydrophobicContact CD1-CG2 4.47Å; Y260-I279 HydrophobicContact CD2-CD1 4.29Å; Y260-I279 HydrophobicContact CD2-CG1 4.41Å; Y260-I279 HydrophobicContact CD2-CG2 4.01Å; Y260-I279 HydrophobicContact CE1-CG1 4.37Å; Y260-I279 HydrophobicContact CE1-CG2 4.11Å; Y260-I279 HydrophobicContact CE2-CG2 3.6Å; Y260-I279 HydrophobicContact CG-CD1 4.1Å; Y260-I279 HydrophobicContact CG-CG1 4.1Å; Y260-I279 HydrophobicContact CG-CG2 4.44Å; W263-I279 HydrophobicContact CE3-CG1 4.05Å; W263-I279 HydrophobicContact CZ3-CG1 4.26Å; A269-I279 HydrophobicContact CB-CD1 3.83Å; D275-I279 WeakPolarHBondContact O-CB 3.2Å; D275-I279 VanDerWaalsContact O-CG1 3.32Å; D275-I279 WeakPolarHBondContact O-CG1 3.47Å; D275-I279 PolarHBondContact O-N 3.11Å; I279-Y281 VanDerWaalsContact C-N 3.3Å; I279-Y281 PolarHBondContact O-N 3.31Å; I279-D282 PolarHBondContact O-N 2.95Å; I279-A283 WeakPolarHBondContact O-CB 3.45Å; I279-A283 PolarHBondContact O-N 2.86Å; I279-T308 HydrophobicContact CB-CG2 3.73Å; I279-T308 HydrophobicContact CD1-CG2 4.17Å; I279-T308 HydrophobicContact CG2-CG2 3.66Å
280A98.8Very high95.1Very high0 Ų018.9 Ų18.90%012%0.118CC..Hα-helixtrans-58.6-43.1174.500000112A276 A283 L284 I311 A312A276-A280 PolarHBondContact O-N 3.44Å; A276-A280 VanDerWaalsContact O-N 3.17Å; A280-A283 PolarHBondContact O-N 2.77Å; A280-L284 WeakPolarHBondContact O-CG 3.24Å; A280-L284 PolarHBondContact O-N 3.17Å; A280-I311 HydrophobicContact CB-CB 3.83Å; A280-I311 HydrophobicContact CB-CG2 3.61Å; A280-A312 HydrophobicContact CB-CB 3.84Å
281Y98.8Very high95.1Very high0 Ų019 Ų190%012%0.118CC..Hα-helixtrans-67.1-41.1176.4179.6-125.3000112.6F179 L189 V190 W192 G193 W228 Y231 L232 I237 P277 M278 I279 A283 L284 L285F179-Y281 HydrophobicContact CD2-CD2 4.36Å; F179-Y281 HydrophobicContact CD2-CG 4.46Å; F179-Y281 HydrophobicContact CE2-CD1 4.21Å; F179-Y281 AromaticContact CE2-CD2 3.95Å; F179-Y281 HydrophobicContact CE2-CD2 3.95Å; F179-Y281 AromaticContact CE2-CG 3.74Å; F179-Y281 HydrophobicContact CE2-CG 3.74Å; F179-Y281 HydrophobicContact CZ-CD1 4.49Å; F179-Y281 HydrophobicContact CZ-CG 4.39Å; L189-Y281 HydrophobicContact CD1-CD2 3.94Å; L189-Y281 HydrophobicContact CD1-CE2 3.71Å; L189-Y281 HydrophobicContact CG-CE2 4.02Å; L189-Y281 VanDerWaalsContact O-CE2 3.27Å; L189-Y281 WeakPolarHBondContact O-CE2 3.37Å; L189-Y281 PolarHBondContact O-OH 3.45Å; V190-Y281 PolarHBondContact O-OH 3.31Å; W192-Y281 HydrophobicContact CB-CE2 3.8Å; W192-Y281 HydrophobicContact CD2-CE2 4.37Å; W192-Y281 HydrophobicContact CE3-CD2 4.13Å; W192-Y281 HydrophobicContact CE3-CE2 4.12Å; W192-Y281 HydrophobicContact CG-CE2 4.29Å; G193-Y281 PolarHBondContact N-OH 3.48Å; W228-Y281 HydrophobicContact CZ3-CD1 4.13Å; Y231-Y281 AromaticContact CE1-CD1 3.66Å; Y231-Y281 HydrophobicContact CE1-CD1 3.66Å; Y231-Y281 AromaticContact CE1-CE1 3.87Å; Y231-Y281 HydrophobicContact CE1-CE1 3.87Å; L232-Y281 HydrophobicContact CD2-CE1 4.41Å; I237-Y281 HydrophobicContact CD1-CE1 4.08Å; P277-Y281 WeakPolarHBondContact O-CB 3.3Å; P277-Y281 PolarHBondContact O-N 3.1Å; M278-Y281 PolarHBondContact O-N 2.88Å; I279-Y281 VanDerWaalsContact C-N 3.3Å; I279-Y281 PolarHBondContact O-N 3.31Å; Y281-A283 VanDerWaalsContact C-N 3.32Å; Y281-A283 PolarHBondContact O-N 3.24Å; Y281-L284 PolarHBondContact O-N 3.3Å; Y281-L285 HydrophobicContact CD1-CD1 3.83Å; Y281-L285 HydrophobicContact CD2-CD1 4.24Å; Y281-L285 HydrophobicContact CD2-CG 4.23Å; Y281-L285 HydrophobicContact CE1-CD1 3.42Å; Y281-L285 VanDerWaalsContact CE1-CD1 3.42Å; Y281-L285 HydrophobicContact CE1-CG 4.34Å; Y281-L285 HydrophobicContact CE2-CD1 3.86Å; Y281-L285 HydrophobicContact CE2-CD2 4.19Å; Y281-L285 HydrophobicContact CE2-CG 3.88Å; Y281-L285 HydrophobicContact CG-CD1 4.23Å; Y281-L285 VanDerWaalsContact CZ-CD1 3.42Å; Y281-L285 WeakPolarHBondContact O-CB 3.45Å; Y281-L285 WeakPolarHBondContact O-CG 3.33Å; Y281-L285 PolarHBondContact O-N 3Å
282D98.3Very high95.2Very high0 Ų017.8 Ų17.80%012%0.119CC..Hα-helixtrans-59.9-42.3174.9-16767.1000112.1Y231 R235 F247 Y251 M259 W263 M278 I279 L284 L285 A286Y231-D282 HydrophobicContact CE2-CB 4.19Å; Y231-D282 WeakPolarHBondContact OH-CA 3.48Å; Y231-D282 PolarHBondContact OH-OD1 3.03Å; R235-D282 IonicContact CZ-OD1 3.6Å; R235-D282 IonicContact NE-OD1 3.75Å; R235-D282 PolarHBondContact NE-OD1 2.87Å; R235-D282 VanDerWaalsContact NH2-CG 3.35Å; R235-D282 IonicContact NH2-OD1 3.42Å; R235-D282 PolarHBondContact NH2-OD1 2.98Å; R235-D282 IonicContact NH2-OD2 2.67Å; R235-D282 PolarHBondContact NH2-OD2 3.34Å; F247-D282 WeakPolarHBondContact CE1-OD1 3.5Å; Y251-D282 PolarHBondContact OH-OD2 3.01Å; M259-D282 WeakPolarHBondContact CE-OD2 3.21Å; W263-D282 HydrophobicContact CH2-CB 4.06Å; W263-D282 HydrophobicContact CZ3-CB 4.07Å; M278-D282 WeakPolarHBondContact O-CB 3.17Å; M278-D282 PolarHBondContact O-N 3.07Å; I279-D282 PolarHBondContact O-N 2.95Å; D282-L284 VanDerWaalsContact C-N 3.34Å; D282-L284 PolarHBondContact O-N 3.3Å; D282-L285 PolarHBondContact O-N 3.36Å; D282-A286 PolarHBondContact O-N 3.3Å; D282-A286 VanDerWaalsContact O-N 3.15Å
283A97.8Very high95.1Very high0 Ų018.6 Ų18.60%012%0.124CC..Hα-helixtrans-64.3-37.1177.300000112.6I279 A280 Y281 S289 L294 R297 A298I279-A283 WeakPolarHBondContact O-CB 3.45Å; I279-A283 PolarHBondContact O-N 2.86Å; A280-A283 PolarHBondContact O-N 2.77Å; Y281-A283 VanDerWaalsContact C-N 3.32Å; Y281-A283 PolarHBondContact O-N 3.24Å; A283-S289 PolarHBondContact O-OG 3.18Å; A283-L294 HydrophobicContact CB-CD1 3.88Å; A283-R297 HydrophobicContact CB-CB 3.54Å; A283-A298 HydrophobicContact CB-CB 3.73Å
284L98.1Very high95.1Very high13 Ų1318.6 Ų18.67%0.06812%0.124CC..Hα-helixtrans-69.7-37.3174.5-69.7163.8000111.9L189 A280 Y281 D282 A286 L294 L315 Y316 M319L189-L284 HydrophobicContact CD1-CB 4.18Å; L189-L284 VanDerWaalsContact CD2-C 3.44Å; L189-L284 HydrophobicContact CD2-CB 3.73Å; L189-L284 VanDerWaalsContact CD2-O 3.26Å; L189-L284 WeakPolarHBondContact CD2-O 3.4Å; A280-L284 WeakPolarHBondContact O-CG 3.24Å; A280-L284 PolarHBondContact O-N 3.17Å; Y281-L284 PolarHBondContact O-N 3.3Å; D282-L284 VanDerWaalsContact C-N 3.34Å; D282-L284 PolarHBondContact O-N 3.3Å; L284-A286 VanDerWaalsContact C-N 3.28Å; L284-A286 PolarHBondContact O-N 3.32Å; L284-L294 HydrophobicContact CD2-CD1 3.61Å; L284-L294 HydrophobicContact CD2-CD2 4.38Å; L284-L294 HydrophobicContact CG-CD1 3.85Å; L284-L315 HydrophobicContact CD1-CB 3.71Å; L284-L315 HydrophobicContact CD1-CD1 3.83Å; L284-L315 HydrophobicContact CD1-CG 4.44Å; L284-Y316 HydrophobicContact CD2-CD2 4.21Å; L284-M319 HydrophobicContact CD2-SD 4.48Å
285L97.3Very high95Very high11 Ų1118.6 Ų18.66%0.05812%0.124CC..Hα-helixtrans-73.2-18.3-179-80.4174.2000114L189 V190 I237 P245 F247 Y281 D282L189-L285 HydrophobicContact CB-CD2 4.43Å; L189-L285 HydrophobicContact CD2-CD2 3.85Å; L189-L285 HydrophobicContact CD2-CG 4.14Å; L189-L285 HydrophobicContact CG-CD2 3.7Å; L189-L285 HydrophobicContact CG-CG 4.2Å; V190-L285 HydrophobicContact CB-CD2 4.4Å; V190-L285 HydrophobicContact CG1-CD2 4.12Å; I237-L285 HydrophobicContact CD1-CD1 3.77Å; P245-L285 HydrophobicContact CG-CB 4.42Å; P245-L285 HydrophobicContact CG-CD2 4.29Å; F247-L285 HydrophobicContact CE2-CB 4.2Å; F247-L285 WeakPolarHBondContact CE2-O 3.44Å; F247-L285 HydrophobicContact CZ-CB 3.91Å; Y281-L285 HydrophobicContact CD1-CD1 3.83Å; Y281-L285 HydrophobicContact CD2-CD1 4.24Å; Y281-L285 HydrophobicContact CD2-CG 4.23Å; Y281-L285 HydrophobicContact CE1-CD1 3.42Å; Y281-L285 VanDerWaalsContact CE1-CD1 3.42Å; Y281-L285 HydrophobicContact CE1-CG 4.34Å; Y281-L285 HydrophobicContact CE2-CD1 3.86Å; Y281-L285 HydrophobicContact CE2-CD2 4.19Å; Y281-L285 HydrophobicContact CE2-CG 3.88Å; Y281-L285 HydrophobicContact CG-CD1 4.23Å; Y281-L285 VanDerWaalsContact CZ-CD1 3.42Å; Y281-L285 WeakPolarHBondContact O-CB 3.45Å; Y281-L285 WeakPolarHBondContact O-CG 3.33Å; Y281-L285 PolarHBondContact O-N 3Å; D282-L285 PolarHBondContact O-N 3.36Å
286A93.5Very high94.9Very high5 Ų523 Ų234%0.04114%0.142CC..SBendtrans-53.2137.8-174.800000112.4F247 D282 L284 G288 S289 R297F247-A286 HydrophobicContact CE1-CB 4.49Å; F247-A286 HydrophobicContact CZ-CB 4.39Å; D282-A286 PolarHBondContact O-N 3.3Å; D282-A286 VanDerWaalsContact O-N 3.15Å; L284-A286 VanDerWaalsContact C-N 3.28Å; L284-A286 PolarHBondContact O-N 3.32Å; A286-G288 PolarHBondContact O-N 2.89Å; A286-S289 WeakPolarHBondContact O-CB 3.46Å; A286-S289 PolarHBondContact O-N 2.88Å; A286-R297 VanDerWaalsContact CB-CD 3.49Å; A286-R297 VanDerWaalsContact CB-CZ 3.43Å; A286-R297 VanDerWaalsContact CB-NE 3.3Å
287P83.9Confident94.8Very high90 Ų9023.7 Ų23.758%0.58415%0.145SC*.THydrogen-bonded Turntrans-57.8128177.6-24.934.4000111.4F247 S289F247-P287 HydrophobicContact CD2-CG 4Å; F247-P287 HydrophobicContact CG-CG 4.46Å; P287-S289 VanDerWaalsContact C-N 3.26Å; P287-S289 PolarHBondContact O-N 3.26Å
288G79.5Confident94.7Very high68 Ų6823.7 Ų23.770%0.70115%0.145SC*.THydrogen-bonded Turntrans70.918.3-178.400000114.4A286 N290A286-G288 PolarHBondContact O-N 2.89Å; G288-N290 PolarHBondContact O-N 3.06Å
289S80.6Confident94.6Very high32 Ų3223.6 Ų23.622%0.22415%0.145CC..  trans-56.9103.7178.6-166.40000111.1A283 A286 P287A283-S289 PolarHBondContact O-OG 3.18Å; A286-S289 WeakPolarHBondContact O-CB 3.46Å; A286-S289 PolarHBondContact O-N 2.88Å; P287-S289 VanDerWaalsContact C-N 3.26Å; P287-S289 PolarHBondContact O-N 3.26Å
290N93.7Very high94.5Very high79 Ų7923.6 Ų23.642%0.42215%0.145SC..  trans-107.6178.3165.362.230.3000108.3G288 T292 E293 L294G288-N290 PolarHBondContact O-N 3.06Å; N290-T292 VanDerWaalsContact C-N 3.26Å; N290-T292 PolarHBondContact O-N 2.89Å; N290-T292 WeakPolarHBondContact OD1-CB 3.14Å; N290-T292 PolarHBondContact OD1-N 3.14Å; N290-T292 VanDerWaalsContact OD1-N 3.13Å; N290-E293 PolarHBondContact O-N 2.86Å; N290-E293 VanDerWaalsContact O-N 3.16Å; N290-E293 PolarHBondContact OD1-N 3.05Å; N290-L294 WeakPolarHBondContact O-CB 3.33Å; N290-L294 PolarHBondContact O-N 3.44Å
291W97.1Very high94.4Very high3 Ų323.7 Ų23.71%0.01115%0.145CC..Hα-helixtrans-51.5-44.5-179.5-179-103.6000113.2L10 V13 L17 L294 C295 M299 Y316 V325 L329L10-W291 HydrophobicContact CB-CH2 4.16Å; L10-W291 HydrophobicContact CB-CZ3 4.17Å; L10-W291 HydrophobicContact CD1-CE3 4.47Å; L10-W291 HydrophobicContact CD1-CZ3 3.99Å; L10-W291 HydrophobicContact CD2-CH2 3.98Å; L10-W291 HydrophobicContact CD2-CZ2 4.45Å; L10-W291 HydrophobicContact CD2-CZ3 4.21Å; L10-W291 HydrophobicContact CG-CH2 4.45Å; L10-W291 HydrophobicContact CG-CZ3 4.36Å; V13-W291 HydrophobicContact CB-CH2 4.43Å; V13-W291 HydrophobicContact CB-CZ2 4.36Å; V13-W291 HydrophobicContact CG1-CH2 4.09Å; V13-W291 HydrophobicContact CG1-CZ2 3.56Å; L17-W291 HydrophobicContact CD1-CZ2 4.38Å; W291-L294 HydrophobicContact CE3-CD2 4.06Å; W291-L294 HydrophobicContact CZ3-CD2 4.05Å; W291-L294 WeakPolarHBondContact O-CB 3.45Å; W291-L294 PolarHBondContact O-N 3.36Å; W291-C295 PolarHBondContact NE1-SG 3.26Å; W291-C295 VanDerWaalsContact NE1-SG 3.43Å; W291-C295 PolarHBondContact O-N 3.27Å; W291-C295 PolarHBondContact O-SG 3.08Å; W291-M299 HydrophobicContact CH2-CE 4.39Å; W291-Y316 HydrophobicContact CB-CE1 4.42Å; W291-Y316 AromaticContact CE3-CD1 3.59Å; W291-Y316 HydrophobicContact CE3-CD1 3.59Å; W291-Y316 AromaticContact CE3-CE1 3.73Å; W291-Y316 HydrophobicContact CE3-CE1 3.73Å; W291-Y316 HydrophobicContact CE3-CG 4.15Å; W291-Y316 AromaticContact CZ3-CD1 3.92Å; W291-Y316 HydrophobicContact CZ3-CD1 3.92Å; W291-Y316 HydrophobicContact CZ3-CE1 4.49Å; W291-Y316 HydrophobicContact CZ3-CG 4.37Å; W291-Y316 PolarHBondContact N-OH 3.28Å; W291-V325 HydrophobicContact CB-CG2 4.31Å; W291-V325 HydrophobicContact CD2-CB 4.36Å; W291-V325 HydrophobicContact CD2-CG1 3.95Å; W291-V325 HydrophobicContact CD2-CG2 3.63Å; W291-V325 HydrophobicContact CE3-CG2 3.69Å; W291-V325 HydrophobicContact CG-CB 4.41Å; W291-V325 HydrophobicContact CG-CG1 4.17Å; W291-V325 HydrophobicContact CG-CG2 3.89Å; W291-V325 HydrophobicContact CZ2-CG1 4.14Å; W291-V325 HydrophobicContact CZ3-CG2 4.3Å; W291-L329 VanDerWaalsContact NE1-CD1 3.29Å
292T95.6Very high94.3Very high43 Ų4324.2 Ų24.226%0.26415%0.15SC..Hα-helixtrans-64-44.6179.9-59.50000112.6L43 N290 C295 K296L43-T292 HydrophobicContact CD2-CG2 4.28Å; N290-T292 VanDerWaalsContact C-N 3.26Å; N290-T292 PolarHBondContact O-N 2.89Å; N290-T292 WeakPolarHBondContact OD1-CB 3.14Å; N290-T292 PolarHBondContact OD1-N 3.14Å; N290-T292 VanDerWaalsContact OD1-N 3.13Å; T292-C295 PolarHBondContact O-N 3.49Å; T292-K296 WeakPolarHBondContact O-CG 3.33Å; T292-K296 PolarHBondContact O-N 3.31Å
293E95.1Very high94.1Very high45 Ų4524.5 Ų24.521%0.2115%0.154CC..Hα-helixtrans-68.9-37.9178.2-172.462.4-166.900111.6N290 C295 K296 R297N290-E293 PolarHBondContact O-N 2.86Å; N290-E293 VanDerWaalsContact O-N 3.16Å; N290-E293 PolarHBondContact OD1-N 3.05Å; E293-C295 VanDerWaalsContact C-N 3.33Å; E293-C295 PolarHBondContact O-N 3.28Å; E293-K296 PolarHBondContact O-N 3.1Å; E293-R297 WeakPolarHBondContact O-CG 3.21Å; E293-R297 PolarHBondContact O-N 2.93Å; E293-R297 VanDerWaalsContact O-N 3.12Å; E293-R297 IonicContact OE1-CZ 2.67Å; E293-R297 VanDerWaalsContact OE1-CZ 3.27Å; E293-R297 IonicContact OE1-NE 3.29Å; E293-R297 PolarHBondContact OE1-NE 3.48Å; E293-R297 IonicContact OE1-NH2 2.93Å; E293-R297 PolarHBondContact OE1-NH2 2.88Å
294L97.4Very high94Very high0 Ų025.5 Ų25.50%016%0.158CC..Hα-helixtrans-56.9-47.8171.5-174.473.5000110.7A283 L284 N290 W291 K296 R297 A298 M299 A312 Y316A283-L294 HydrophobicContact CB-CD1 3.88Å; L284-L294 HydrophobicContact CD2-CD1 3.61Å; L284-L294 HydrophobicContact CD2-CD2 4.38Å; L284-L294 HydrophobicContact CG-CD1 3.85Å; N290-L294 WeakPolarHBondContact O-CB 3.33Å; N290-L294 PolarHBondContact O-N 3.44Å; W291-L294 HydrophobicContact CE3-CD2 4.06Å; W291-L294 HydrophobicContact CZ3-CD2 4.05Å; W291-L294 WeakPolarHBondContact O-CB 3.45Å; W291-L294 PolarHBondContact O-N 3.36Å; L294-K296 PolarHBondContact O-N 3.39Å; L294-R297 PolarHBondContact O-N 3.29Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 3.47Å; L294-M299 HydrophobicContact CD2-CE 4.17Å; L294-M299 HydrophobicContact CG-CE 4.22Å; L294-A312 HydrophobicContact CD1-CB 4.07Å; L294-A312 HydrophobicContact CG-CB 4.37Å; L294-Y316 HydrophobicContact CD2-CD2 3.69Å; L294-Y316 HydrophobicContact CD2-CG 3.68Å
295C97.2Very high93.9Very high0 Ų024.9 Ų24.90%016%0.155CC..Hα-helixtrans-62.3-44.4178.7-63.50000112.6L43 W291 T292 E293 R297 M299 F300L43-C295 HydrophobicContact CD2-CB 3.88Å; W291-C295 PolarHBondContact NE1-SG 3.26Å; W291-C295 VanDerWaalsContact NE1-SG 3.43Å; W291-C295 PolarHBondContact O-N 3.27Å; W291-C295 PolarHBondContact O-SG 3.08Å; T292-C295 PolarHBondContact O-N 3.49Å; E293-C295 VanDerWaalsContact C-N 3.33Å; E293-C295 PolarHBondContact O-N 3.28Å; C295-R297 PolarHBondContact O-N 3.39Å; C295-M299 WeakPolarHBondContact CA-SD 3.41Å; C295-M299 HydrophobicContact CB-SD 3.74Å; C295-M299 WeakPolarHBondContact O-CA 3.23Å; C295-M299 WeakPolarHBondContact O-CB 3.13Å; C295-M299 PolarHBondContact O-N 2.83Å; C295-M299 PolarHBondContact SG-SD 3.43Å; C295-F300 HydrophobicContact CB-CD2 4.19Å; C295-F300 HydrophobicContact CB-CE2 3.52Å; C295-F300 HydrophobicContact CB-CZ 4.02Å; C295-F300 WeakPolarHBondContact O-CD2 3.28Å; C295-F300 PolarHBondContact O-N 2.88Å; C295-F300 VanDerWaalsContact O-N 3.13Å
296K95.6Very high93.8Very high91 Ų9124.7 Ų24.740%0.39615%0.154SC..Hα-helixtrans-56.5-37.6176.8-74.1176-178.9178.30112.9Q34 T292 E293 L294Q34-K296 PolarHBondContact NE2-O 3.17Å; T292-K296 WeakPolarHBondContact O-CG 3.33Å; T292-K296 PolarHBondContact O-N 3.31Å; E293-K296 PolarHBondContact O-N 3.1Å; L294-K296 PolarHBondContact O-N 3.39Å
297R96.1Very high93.9Very high15 Ų1524.4 Ų24.46%0.05715%0.152CC..Hα-helixtrans-86.5-47.2-176.2-66.6-176.3-179.3-113.2-10.6113Y251 Y260 A283 A286 E293 L294 C295 H301Y251-R297 HydrophobicContact CD1-CG 4.5Å; Y251-R297 VanDerWaalsContact CD1-NH2 3.3Å; Y251-R297 VanDerWaalsContact CD2-NH1 3.3Å; Y251-R297 HydrophobicContact CE1-CG 3.8Å; Y251-R297 VanDerWaalsContact CG-NH2 3.31Å; Y251-R297 PolarHBondContact OH-NH1 2.88Å; Y260-R297 VanDerWaalsContact CE2-O 3.31Å; Y260-R297 WeakPolarHBondContact CE2-O 3.47Å; Y260-R297 PolarHBondContact OH-O 3.43Å; Y260-R297 VanDerWaalsContact OH-O 3.05Å; A283-R297 HydrophobicContact CB-CB 3.54Å; A286-R297 VanDerWaalsContact CB-CD 3.49Å; A286-R297 VanDerWaalsContact CB-CZ 3.43Å; A286-R297 VanDerWaalsContact CB-NE 3.3Å; E293-R297 WeakPolarHBondContact O-CG 3.21Å; E293-R297 PolarHBondContact O-N 2.93Å; E293-R297 VanDerWaalsContact O-N 3.12Å; E293-R297 IonicContact OE1-CZ 2.67Å; E293-R297 VanDerWaalsContact OE1-CZ 3.27Å; E293-R297 IonicContact OE1-NE 3.29Å; E293-R297 PolarHBondContact OE1-NE 3.48Å; E293-R297 IonicContact OE1-NH2 2.93Å; E293-R297 PolarHBondContact OE1-NH2 2.88Å; L294-R297 PolarHBondContact O-N 3.29Å; C295-R297 PolarHBondContact O-N 3.39Å; R297-H301 PolarHBondContact O-CD2 3.08Å
298A97.4Very high94.6Very high0 Ų020.1 Ų20.10%012%0.124CC..Hα-helixtrans-94.1-21.2-172.600000114.1A283 L294 H301 T308 G309 A312A283-A298 HydrophobicContact CB-CB 3.73Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 3.47Å; A298-H301 PolarHBondContact O-NE2 2.83Å; A298-T308 WeakPolarHBondContact O-CB 3.42Å; A298-T308 PolarHBondContact O-OG1 3.39Å; A298-G309 PolarHBondContact O-N 3.02Å; A298-A312 HydrophobicContact CB-CB 3.53Å
299M97Very high95.5Very high0 Ų016.9 Ų16.90%09%0.091CC..THydrogen-bonded Turntrans-119.4-17-170.7-60.5140.5-158.700112.9L17 G18 W291 L294 C295 S305 G309 A312L17-M299 HydrophobicContact CB-CB 4.25Å; L17-M299 HydrophobicContact CD1-SD 4.25Å; G18-M299 WeakPolarHBondContact CA-O 3.47Å; W291-M299 HydrophobicContact CH2-CE 4.39Å; L294-M299 HydrophobicContact CD2-CE 4.17Å; L294-M299 HydrophobicContact CG-CE 4.22Å; C295-M299 WeakPolarHBondContact CA-SD 3.41Å; C295-M299 HydrophobicContact CB-SD 3.74Å; C295-M299 WeakPolarHBondContact O-CA 3.23Å; C295-M299 WeakPolarHBondContact O-CB 3.13Å; C295-M299 PolarHBondContact O-N 2.83Å; C295-M299 PolarHBondContact SG-SD 3.43Å; M299-S305 WeakPolarHBondContact O-CB 3.25Å; M299-G309 WeakPolarHBondContact CE-O 3.27Å; M299-G309 VanDerWaalsContact CG-CA 3.41Å; M299-A312 HydrophobicContact CE-CB 4.22Å
300F96.6Very high96.3Very high1 Ų115.4 Ų15.40%0.0048%0.08CC..SBendtrans-12357.1-175.6-50.3-41.1000112.3L17 W24 I33 Q34 L37 L43 C295L17-F300 HydrophobicContact CB-CE1 4.02Å; L17-F300 HydrophobicContact CB-CZ 4.29Å; L17-F300 HydrophobicContact CD1-CZ 4.36Å; L17-F300 HydrophobicContact CD2-CE1 4.39Å; L17-F300 HydrophobicContact CD2-CZ 4.17Å; W24-F300 HydrophobicContact CE3-CD1 4.34Å; W24-F300 HydrophobicContact CH2-CD1 4.21Å; W24-F300 HydrophobicContact CH2-CE1 4.21Å; W24-F300 AromaticContact CZ3-CD1 3.63Å; W24-F300 HydrophobicContact CZ3-CD1 3.63Å; W24-F300 AromaticContact CZ3-CE1 3.64Å; W24-F300 HydrophobicContact CZ3-CE1 3.64Å; I33-F300 HydrophobicContact CG2-CB 3.96Å; I33-F300 HydrophobicContact CG2-CD1 4.28Å; Q34-F300 HydrophobicContact CG-CB 3.79Å; Q34-F300 PolarHBondContact NE2-O 3.4Å; L37-F300 HydrophobicContact CD1-CZ 4.48Å; L37-F300 HydrophobicContact CD2-CD1 4.44Å; L37-F300 HydrophobicContact CD2-CD2 3.49Å; L37-F300 VanDerWaalsContact CD2-CD2 3.49Å; L37-F300 HydrophobicContact CD2-CE1 4.38Å; L37-F300 HydrophobicContact CD2-CE2 3.39Å; L37-F300 HydrophobicContact CD2-CG 4.07Å; L37-F300 HydrophobicContact CD2-CZ 3.89Å; L43-F300 HydrophobicContact CD1-CE2 4.31Å; L43-F300 HydrophobicContact CD1-CZ 4.02Å; C295-F300 HydrophobicContact CB-CD2 4.19Å; C295-F300 HydrophobicContact CB-CE2 3.52Å; C295-F300 HydrophobicContact CB-CZ 4.02Å; C295-F300 WeakPolarHBondContact O-CD2 3.28Å; C295-F300 PolarHBondContact O-N 2.88Å; C295-F300 VanDerWaalsContact O-N 3.13Å
301H96.6Very high96.6Very high1 Ų111.6 Ų11.61%0.0056%0.06CC..SBendtrans-128166.7177.765.778.6000112.1I33 Y260 R297 A298 G303 S305 T308I33-H301 WeakPolarHBondContact CD1-O 3.38Å; Y260-H301 HydrophobicContact CD2-CB 3.99Å; Y260-H301 AromaticContact CD2-CG 3.84Å; Y260-H301 HydrophobicContact CE2-CB 3.91Å; Y260-H301 AromaticContact CE2-CD2 3.82Å; Y260-H301 AromaticContact CE2-CG 3.81Å; R297-H301 PolarHBondContact O-CD2 3.08Å; A298-H301 PolarHBondContact O-NE2 2.83Å; H301-G303 PolarHBondContact ND1-N 3.48Å; H301-G303 VanDerWaalsContact ND1-N 3.14Å; H301-G303 PolarHBondContact O-N 2.91Å; H301-S305 PolarHBondContact CE1-OG 2.78Å; H301-S305 PolarHBondContact ND1-OG 2.65Å; H301-S305 PolarHBondContact O-OG 3.32Å; H301-T308 PolarHBondContact NE2-OG1 3.24Å
302G95.9Very high96.7Very high11 Ų1111.5 Ų11.511%0.1136%0.059CC..SBendtrans-81.428.9-175.200000115.4C27 T28 D257C27-G302 WeakPolarHBondContact O-CA 3.12Å; T28-G302 WeakPolarHBondContact CA-O 3.36Å; D257-G302 PolarHBondContact OD1-N 3.12Å
303G95.1Very high96.8Very high7 Ų79.4 Ų9.47%0.0725%0.047CC..SBendtrans-126.1-158.6-178.600000111.5A269 H301 S305A269-G303 CarbonylContact O-C 3.59Å; A269-G303 VanDerWaalsContact O-CA 3.27Å; A269-G303 WeakPolarHBondContact O-CA 3.5Å; H301-G303 PolarHBondContact ND1-N 3.48Å; H301-G303 VanDerWaalsContact ND1-N 3.14Å; H301-G303 PolarHBondContact O-N 2.91Å; G303-S305 PolarHBondContact O-N 2.87Å; G303-S305 PolarHBondContact O-OG 2.77Å
304E94.8Very high97Very high20 Ų207.3 Ų7.39%0.0934%0.037CC..  trans-7477.9174.3-54.7-52.3155.500110F130 A269 R271 E306 A307 T308F130-E304 HydrophobicContact CD1-CB 4.36Å; F130-E304 HydrophobicContact CD1-CG 4.17Å; F130-E304 HydrophobicContact CE1-CB 4.22Å; F130-E304 HydrophobicContact CE1-CG 4.01Å; A269-E304 PolarHBondContact O-N 3.33Å; R271-E304 VanDerWaalsContact CA-CG 3.49Å; R271-E304 HydrophobicContact CB-CG 3.7Å; R271-E304 HydrophobicContact CG-CG 4.07Å; E304-E306 VanDerWaalsContact C-N 3.35Å; E304-A307 HydrophobicContact CB-CB 4.27Å; E304-A307 PolarHBondContact O-N 2.95Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 3.33Å; E304-T308 VanDerWaalsContact O-OG1 3.06Å
305S95.5Very high97.1Very high1 Ų17.3 Ų7.31%0.0074%0.037CC..Hα-helixtrans-74.7-25.3-170.3-61.60000113.2M299 H301 G303 T308 G309M299-S305 WeakPolarHBondContact O-CB 3.25Å; H301-S305 PolarHBondContact CE1-OG 2.78Å; H301-S305 PolarHBondContact ND1-OG 2.65Å; H301-S305 PolarHBondContact O-OG 3.32Å; G303-S305 PolarHBondContact O-N 2.87Å; G303-S305 PolarHBondContact O-OG 2.77Å; S305-T308 WeakPolarHBondContact CA-OG1 3.39Å; S305-T308 PolarHBondContact O-OG1 3.11Å; S305-G309 WeakPolarHBondContact O-CA 3.42Å; S305-G309 PolarHBondContact O-N 3.49Å
306E94.9Very high97.1Very high6 Ų67.5 Ų7.53%0.0284%0.038CC..Hα-helixtrans-67.1-42.3174.175.8-58.3142.800110.9F130 E304 L310F130-E306 VanDerWaalsContact CZ-OE1 3.3Å; F130-E306 WeakPolarHBondContact CZ-OE1 3.25Å; E304-E306 VanDerWaalsContact C-N 3.35Å; E306-L310 WeakPolarHBondContact O-CB 3.4Å; E306-L310 PolarHBondContact O-N 3.36Å
307A95.9Very high97.3Very high0 Ų03.2 Ų3.20%02%0.019CC..Hα-helixtrans-66.6-51.1178.500000112.5F130 A276 E304 G309 L310 I311F130-A307 HydrophobicContact CB-CB 4.21Å; F130-A307 HydrophobicContact CD1-CB 4.11Å; F130-A307 HydrophobicContact CD2-CB 3.29Å; F130-A307 HydrophobicContact CE1-CB 4.29Å; F130-A307 HydrophobicContact CE2-CB 3.55Å; F130-A307 HydrophobicContact CG-CB 3.61Å; F130-A307 HydrophobicContact CZ-CB 4.03Å; A276-A307 HydrophobicContact CB-CB 4.48Å; E304-A307 HydrophobicContact CB-CB 4.27Å; E304-A307 PolarHBondContact O-N 2.95Å; A307-G309 VanDerWaalsContact C-N 3.35Å; A307-L310 PolarHBondContact O-N 2.87Å; A307-I311 WeakPolarHBondContact O-CD1 3.26Å; A307-I311 VanDerWaalsContact O-CG1 3.31Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 3.41Å; A307-I311 VanDerWaalsContact O-N 3.16Å
308T98.4Very high97.4Very high0 Ų02.5 Ų2.50%02%0.017CC..Hα-helixtrans-65.1-40.6178.447.90000111I279 A298 H301 E304 S305 I311 A312I279-T308 HydrophobicContact CB-CG2 3.73Å; I279-T308 HydrophobicContact CD1-CG2 4.17Å; I279-T308 HydrophobicContact CG2-CG2 3.66Å; A298-T308 WeakPolarHBondContact O-CB 3.42Å; A298-T308 PolarHBondContact O-OG1 3.39Å; H301-T308 PolarHBondContact NE2-OG1 3.24Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 3.33Å; E304-T308 VanDerWaalsContact O-OG1 3.06Å; S305-T308 WeakPolarHBondContact CA-OG1 3.39Å; S305-T308 PolarHBondContact O-OG1 3.11Å; T308-I311 PolarHBondContact O-N 3.25Å; T308-A312 WeakPolarHBondContact O-CB 3.27Å; T308-A312 PolarHBondContact O-N 3.31Å
309G98.4Very high97.4Very high0 Ų05.2 Ų5.20%03%0.03CC..Hα-helixtrans-61.8-45.8174.800000113.2A298 M299 S305 A307 A312 G313A298-G309 PolarHBondContact O-N 3.02Å; M299-G309 WeakPolarHBondContact CE-O 3.27Å; M299-G309 VanDerWaalsContact CG-CA 3.41Å; S305-G309 WeakPolarHBondContact O-CA 3.42Å; S305-G309 PolarHBondContact O-N 3.49Å; A307-G309 VanDerWaalsContact C-N 3.35Å; G309-A312 PolarHBondContact O-N 3.42Å; G309-G313 PolarHBondContact O-N 3.13Å
310L98.8Very high97.4Very high0 Ų07.9 Ų7.90%04%0.044CC..Hα-helixtrans-57.7-50.1176.3174.751.5000111.8G11 D15 A58 V59 A134 M137 E306 A307 C314G11-L310 VanDerWaalsContact C-CD1 3.4Å; G11-L310 WeakPolarHBondContact CA-O 3.48Å; G11-L310 WeakPolarHBondContact O-CA 3.39Å; G11-L310 WeakPolarHBondContact O-CD1 3.4Å; D15-L310 HydrophobicContact CB-CB 4.12Å; D15-L310 HydrophobicContact CB-CD1 4.48Å; A58-L310 HydrophobicContact CB-CD2 3.78Å; V59-L310 HydrophobicContact CG2-CD1 3.73Å; V59-L310 HydrophobicContact CG2-CD2 4.01Å; V59-L310 HydrophobicContact CG2-CG 4.42Å; A134-L310 HydrophobicContact CB-CD2 4.03Å; A134-L310 WeakPolarHBondContact O-CD2 3.39Å; M137-L310 HydrophobicContact CE-CD1 4.08Å; M137-L310 HydrophobicContact CE-CG 3.83Å; E306-L310 WeakPolarHBondContact O-CB 3.4Å; E306-L310 PolarHBondContact O-N 3.36Å; A307-L310 PolarHBondContact O-N 2.87Å; L310-C314 VanDerWaalsContact O-CB 3.25Å; L310-C314 WeakPolarHBondContact O-CB 3.36Å; L310-C314 PolarHBondContact O-N 3.32Å; L310-C314 VanDerWaalsContact O-N 3.08Å
311I98.9Very high97.5Very high0 Ų08.3 Ų8.30%05%0.049CC..Hα-helixtrans-64.7-50.8-179.9-62.7164.4000110.1A133 M137 T176 A276 A280 A307 T308 G313 C314 L315A133-I311 HydrophobicContact CB-CD1 4.18Å; M137-I311 HydrophobicContact CE-CG1 4.42Å; M137-I311 HydrophobicContact SD-CG1 3.93Å; T176-I311 HydrophobicContact CG2-CD1 3.76Å; T176-I311 HydrophobicContact CG2-CG1 3.91Å; T176-I311 HydrophobicContact CG2-CG2 3.75Å; A276-I311 HydrophobicContact CB-CD1 3.98Å; A280-I311 HydrophobicContact CB-CB 3.83Å; A280-I311 HydrophobicContact CB-CG2 3.61Å; A307-I311 WeakPolarHBondContact O-CD1 3.26Å; A307-I311 VanDerWaalsContact O-CG1 3.31Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 3.41Å; A307-I311 VanDerWaalsContact O-N 3.16Å; T308-I311 PolarHBondContact O-N 3.25Å; I311-G313 PolarHBondContact O-N 3.46Å; I311-C314 PolarHBondContact O-N 3.27Å; I311-L315 HydrophobicContact CG2-CD1 3.86Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 VanDerWaalsContact O-CG 3.29Å; I311-L315 WeakPolarHBondContact O-CG 3.26Å; I311-L315 PolarHBondContact O-N 3.1Å
312A98.9Very high97.4Very high0 Ų010.3 Ų10.30%06%0.059CC..Hα-helixtrans-61.7-45.4-177.400000112.2A280 L294 A298 M299 T308 G309 L315 Y316A280-A312 HydrophobicContact CB-CB 3.84Å; L294-A312 HydrophobicContact CD1-CB 4.07Å; L294-A312 HydrophobicContact CG-CB 4.37Å; A298-A312 HydrophobicContact CB-CB 3.53Å; M299-A312 HydrophobicContact CE-CB 4.22Å; T308-A312 WeakPolarHBondContact O-CB 3.27Å; T308-A312 PolarHBondContact O-N 3.31Å; G309-A312 PolarHBondContact O-N 3.42Å; A312-L315 PolarHBondContact O-N 2.96Å; A312-Y316 VanDerWaalsContact O-CB 3.29Å; A312-Y316 WeakPolarHBondContact O-CB 3.22Å; A312-Y316 PolarHBondContact O-N 3.3Å
313G98.8Very high97.2Very high0 Ų014.9 Ų14.90%09%0.09CC..Hα-helixtrans-63.2-42.5178.600000112.2L10 G309 I311 Y316 G317L10-G313 VanDerWaalsContact CB-O 3.28Å; L10-G313 WeakPolarHBondContact CB-O 2.73Å; L10-G313 WeakPolarHBondContact O-CA 3.21Å; G309-G313 PolarHBondContact O-N 3.13Å; I311-G313 PolarHBondContact O-N 3.46Å; G313-Y316 PolarHBondContact O-N 2.74Å; G313-G317 PolarHBondContact O-N 2.96Å
314C98.9Very high97.1Very high0 Ų020.1 Ų20.10%011%0.113CC..Hα-helixtrans-61.4-50.1176.8-176.70000111.7A7 M137 L310 I311 Y316 G317 L318A7-C314 WeakPolarHBondContact CB-O 3.44Å; A7-C314 WeakPolarHBondContact O-CA 3.5Å; M137-C314 VanDerWaalsContact CB-SG 3.57Å; M137-C314 HydrophobicContact CE-CB 4.02Å; M137-C314 HydrophobicContact CG-CB 4.27Å; L310-C314 VanDerWaalsContact O-CB 3.25Å; L310-C314 WeakPolarHBondContact O-CB 3.36Å; L310-C314 PolarHBondContact O-N 3.32Å; L310-C314 VanDerWaalsContact O-N 3.08Å; I311-C314 PolarHBondContact O-N 3.27Å; C314-Y316 PolarHBondContact O-N 3.12Å; C314-G317 PolarHBondContact O-N 3.49Å; C314-L318 PolarHBondContact O-N 3.5Å; C314-L318 VanDerWaalsContact O-N 3.09Å
315L98.9Very high97.1Very high0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-62.9-41.6178.1-65.8174.5000112F179 A180 W192 L284 I311 A312 G317 L318 M319F179-L315 HydrophobicContact CB-CD1 4.05Å; F179-L315 HydrophobicContact CB-CD2 3.87Å; F179-L315 HydrophobicContact CD2-CD1 4.4Å; A180-L315 HydrophobicContact CB-CD2 4.01Å; A180-L315 VanDerWaalsContact N-CD2 3.35Å; W192-L315 HydrophobicContact CZ3-CD1 4.25Å; W192-L315 HydrophobicContact CZ3-CD2 4.34Å; L284-L315 HydrophobicContact CD1-CB 3.71Å; L284-L315 HydrophobicContact CD1-CD1 3.83Å; L284-L315 HydrophobicContact CD1-CG 4.44Å; I311-L315 HydrophobicContact CG2-CD1 3.86Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 VanDerWaalsContact O-CG 3.29Å; I311-L315 WeakPolarHBondContact O-CG 3.26Å; I311-L315 PolarHBondContact O-N 3.1Å; A312-L315 PolarHBondContact O-N 2.96Å; L315-G317 VanDerWaalsContact C-N 3.32Å; L315-G317 PolarHBondContact O-N 2.93Å; L315-L318 PolarHBondContact O-N 3.4Å; L315-M319 WeakPolarHBondContact O-CG 3.42Å; L315-M319 PolarHBondContact O-N 3Å; L315-M319 VanDerWaalsContact O-N 3.09Å
316Y98.7Very high97.1Very high5 Ų521.2 Ų21.22%0.0212%0.121CC..Hα-helixtrans-60.6-41.7175.1-174.5-87.7000111.8L10 L284 W291 L294 A312 G313 C314 L318 M319 N320 Q324 V325L10-Y316 HydrophobicContact CD1-CD1 3.95Å; L284-Y316 HydrophobicContact CD2-CD2 4.21Å; W291-Y316 HydrophobicContact CB-CE1 4.42Å; W291-Y316 AromaticContact CE3-CD1 3.59Å; W291-Y316 HydrophobicContact CE3-CD1 3.59Å; W291-Y316 AromaticContact CE3-CE1 3.73Å; W291-Y316 HydrophobicContact CE3-CE1 3.73Å; W291-Y316 HydrophobicContact CE3-CG 4.15Å; W291-Y316 AromaticContact CZ3-CD1 3.92Å; W291-Y316 HydrophobicContact CZ3-CD1 3.92Å; W291-Y316 HydrophobicContact CZ3-CE1 4.49Å; W291-Y316 HydrophobicContact CZ3-CG 4.37Å; W291-Y316 PolarHBondContact N-OH 3.28Å; L294-Y316 HydrophobicContact CD2-CD2 3.69Å; L294-Y316 HydrophobicContact CD2-CG 3.68Å; A312-Y316 VanDerWaalsContact O-CB 3.29Å; A312-Y316 WeakPolarHBondContact O-CB 3.22Å; A312-Y316 PolarHBondContact O-N 3.3Å; G313-Y316 PolarHBondContact O-N 2.74Å; C314-Y316 PolarHBondContact O-N 3.12Å; Y316-L318 PolarHBondContact O-N 2.89Å; Y316-M319 PolarHBondContact O-N 3Å; Y316-N320 HydrophobicContact CD1-CB 4.21Å; Y316-N320 VanDerWaalsContact CD2-ND2 3.26Å; Y316-N320 WeakPolarHBondContact CD2-ND2 3.28Å; Y316-N320 HydrophobicContact CE1-CB 3.82Å; Y316-N320 HydrophobicContact CE2-CB 4.5Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.08Å; Y316-N320 WeakPolarHBondContact O-CB 3.01Å; Y316-N320 PolarHBondContact O-N 3.49Å; Y316-N320 PolarHBondContact O-ND2 2.88Å; Y316-Q324 PolarHBondContact OH-OE1 3.3Å; Y316-Q324 VanDerWaalsContact OH-OE1 3.11Å; Y316-V325 HydrophobicContact CE1-CG2 4.09Å
317G98.6Very high97.2Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-62.4-39.4175.900000113.4G313 C314 L315 M319 G321G313-G317 PolarHBondContact O-N 2.96Å; C314-G317 PolarHBondContact O-N 3.49Å; L315-G317 VanDerWaalsContact C-N 3.32Å; L315-G317 PolarHBondContact O-N 2.93Å; G317-M319 VanDerWaalsContact C-N 3.31Å; G317-M319 PolarHBondContact O-N 3.04Å; G317-G321 WeakPolarHBondContact O-CA 3.32Å; G317-G321 PolarHBondContact O-N 3.22Å
318L98.7Very high97.1Very high1 Ų129.9 Ų29.91%0.00516%0.163CC..Hα-helixtrans-63.7-37.2173.4-66.8172.5000112.1K3 F4 A7 M141 A180 A183 I184 C314 L315 Y316K3-L318 VanDerWaalsContact CD-O 3.25Å; K3-L318 WeakPolarHBondContact CD-O 3.3Å; K3-L318 WeakPolarHBondContact CE-O 3.45Å; K3-L318 PolarHBondContact NZ-O 3.24Å; F4-L318 HydrophobicContact CD2-CD2 4.29Å; A7-L318 HydrophobicContact CB-CD1 4.41Å; A7-L318 HydrophobicContact CB-CD2 3.45Å; A7-L318 VanDerWaalsContact CB-CD2 3.45Å; A7-L318 HydrophobicContact CB-CG 3.51Å; M141-L318 HydrophobicContact CE-CD2 4.4Å; M141-L318 HydrophobicContact CG-CD1 4.21Å; M141-L318 HydrophobicContact CG-CD2 4.15Å; M141-L318 HydrophobicContact SD-CD2 4.46Å; A180-L318 HydrophobicContact CB-CD1 3.65Å; A183-L318 HydrophobicContact CB-CB 3.66Å; A183-L318 HydrophobicContact CB-CD1 4.13Å; I184-L318 HydrophobicContact CD1-CD1 4.34Å; I184-L318 HydrophobicContact CD1-CD2 4.03Å; I184-L318 HydrophobicContact CG1-CD1 4.23Å; I184-L318 HydrophobicContact CG1-CD2 3.78Å; I184-L318 HydrophobicContact CG1-CG 4.39Å; C314-L318 PolarHBondContact O-N 3.5Å; C314-L318 VanDerWaalsContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 3.4Å; Y316-L318 PolarHBondContact O-N 2.89Å
319M97.9Very high97.1Very high57 Ų5729.9 Ų29.928%0.28116%0.163SC..Hα-helixtrans-75.2-47.3-180-67.9173.265.800112.3K3 A183 L189 W192 L284 L315 Y316 G317K3-M319 WeakPolarHBondContact CE-O 3.43Å; K3-M319 PolarHBondContact NZ-O 2.67Å; A183-M319 HydrophobicContact CB-CG 4Å; L189-M319 HydrophobicContact CB-CE 4.43Å; L189-M319 HydrophobicContact CD1-CE 4.49Å; L189-M319 HydrophobicContact CD1-SD 4.35Å; L189-M319 HydrophobicContact CD2-CE 4.37Å; W192-M319 HydrophobicContact CH2-CG 4.31Å; W192-M319 HydrophobicContact CH2-SD 3.71Å; W192-M319 HydrophobicContact CZ2-SD 4.21Å; L284-M319 HydrophobicContact CD2-SD 4.48Å; L315-M319 WeakPolarHBondContact O-CG 3.42Å; L315-M319 PolarHBondContact O-N 3Å; L315-M319 VanDerWaalsContact O-N 3.09Å; Y316-M319 PolarHBondContact O-N 3Å; G317-M319 VanDerWaalsContact C-N 3.31Å; G317-M319 PolarHBondContact O-N 3.04Å
320N96.8Very high97Very high55 Ų5530.4 Ų30.429%0.29417%0.166SC..Hα-helixtrans-116.6-15.7-161.9-59.1-67.3000114.5Y316Y316-N320 HydrophobicContact CD1-CB 4.21Å; Y316-N320 VanDerWaalsContact CD2-ND2 3.26Å; Y316-N320 WeakPolarHBondContact CD2-ND2 3.28Å; Y316-N320 HydrophobicContact CE1-CB 3.82Å; Y316-N320 HydrophobicContact CE2-CB 4.5Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.08Å; Y316-N320 WeakPolarHBondContact O-CB 3.01Å; Y316-N320 PolarHBondContact O-N 3.49Å; Y316-N320 PolarHBondContact O-ND2 2.88Å
321G97.4Very high96.9Very high11 Ų1136.3 Ų36.311%0.11319%0.188CC..  trans69.3-159.5-169.400000112.6G317G317-G321 WeakPolarHBondContact O-CA 3.32Å; G317-G321 PolarHBondContact O-N 3.22Å
322L95.7Very high96.7Very high42 Ų4238.9 Ų38.922%0.2220%0.201CC..SBendtrans-92.9-12.5-177.5-70.5171.8000114.5A6 V9 L10 Q324 V325A6-L322 HydrophobicContact CB-CD2 4.2Å; A6-L322 HydrophobicContact CB-CG 3.76Å; V9-L322 HydrophobicContact CG1-CD2 4.24Å; L10-L322 HydrophobicContact CD1-CD2 4.09Å; L10-L322 HydrophobicContact CD2-CD2 3.55Å; L10-L322 HydrophobicContact CG-CD2 3.62Å; L322-Q324 VanDerWaalsContact C-N 3.26Å; L322-Q324 PolarHBondContact O-N 3.12Å; L322-Q324 VanDerWaalsContact O-N 3.15Å; L322-V325 PolarHBondContact O-N 2.94Å
323S91.9Very high96.7Very high108 Ų10839.2 Ų39.276%0.75520%0.203SC*.THydrogen-bonded Turntrans-64.6-26.4-16457.40000114.8
324Q91.4Very high96.5Very high117 Ų11740.8 Ų40.855%0.54721%0.212SC..THydrogen-bonded Turntrans-94.11.8179.6-60.2-174.612.800113Y316 L322Y316-Q324 PolarHBondContact OH-OE1 3.3Å; Y316-Q324 VanDerWaalsContact OH-OE1 3.11Å; L322-Q324 VanDerWaalsContact C-N 3.26Å; L322-Q324 PolarHBondContact O-N 3.12Å; L322-Q324 VanDerWaalsContact O-N 3.15Å
325V96.2Very high96.3Very high9 Ų945.1 Ų45.16%0.05523%0.23CC..SBendtrans-102.6131.3-177.6-175.50000110L10 W291 Y316 L322 Q327 L329L10-V325 HydrophobicContact CD1-CG2 3.7Å; L10-V325 HydrophobicContact CD2-CB 4.16Å; L10-V325 HydrophobicContact CD2-CG1 3.86Å; L10-V325 HydrophobicContact CD2-CG2 3.86Å; L10-V325 HydrophobicContact CG-CG2 4.46Å; W291-V325 HydrophobicContact CB-CG2 4.31Å; W291-V325 HydrophobicContact CD2-CB 4.36Å; W291-V325 HydrophobicContact CD2-CG1 3.95Å; W291-V325 HydrophobicContact CD2-CG2 3.63Å; W291-V325 HydrophobicContact CE3-CG2 3.69Å; W291-V325 HydrophobicContact CG-CB 4.41Å; W291-V325 HydrophobicContact CG-CG1 4.17Å; W291-V325 HydrophobicContact CG-CG2 3.89Å; W291-V325 HydrophobicContact CZ2-CG1 4.14Å; W291-V325 HydrophobicContact CZ3-CG2 4.3Å; Y316-V325 HydrophobicContact CE1-CG2 4.09Å; L322-V325 PolarHBondContact O-N 2.94Å; V325-Q327 PolarHBondContact O-N 3.17Å; V325-L329 HydrophobicContact CG1-CD1 4.36Å
326P95.6Very high96.3Very high35 Ų3548.1 Ų48.123%0.22724%0.242CC..  trans-56.7128.6176.1-25.333.2000112.5N328 L329 H330P326-N328 WeakPolarHBondContact CB-OD1 3.38Å; P326-N328 PolarHBondContact O-N 3.2Å; P326-L329 HydrophobicContact CB-CD1 4.26Å; P326-L329 HydrophobicContact CB-CG 4.25Å; P326-L329 HydrophobicContact CG-CD1 4.18Å; P326-L329 WeakPolarHBondContact O-CB 3.49Å; P326-L329 PolarHBondContact O-N 2.88Å; P326-H330 PolarHBondContact O-CD2 3.23Å
327Q95.6Very high96.3Very high143 Ų14355.1 Ų55.167%0.66828%0.275SS*.G310 helixtrans-58.6-34.3-174.6-73.6-173.6-6.400113.5V325 L329 H330 R331V325-Q327 PolarHBondContact O-N 3.17Å; Q327-L329 PolarHBondContact O-N 3.48Å; Q327-L329 VanDerWaalsContact O-N 3.16Å; Q327-H330 WeakPolarHBondContact CA-NE2 3.46Å; Q327-H330 PolarHBondContact O-N 3.43Å; Q327-H330 VanDerWaalsContact O-N 3.17Å; Q327-R331 WeakPolarHBondContact O-CB 3.34Å; Q327-R331 PolarHBondContact O-N 2.78Å
328N95.3Very high96.3Very high44 Ų4459.4 Ų59.424%0.23529%0.291CS..G310 helixtrans-59.7-23.1178.152.8-60.7000113.9E44 L46 P326E44-N328 PolarHBondContact O-ND2 2.97Å; L46-N328 PolarHBondContact O-ND2 2.66Å; P326-N328 WeakPolarHBondContact CB-OD1 3.38Å; P326-N328 PolarHBondContact O-N 3.2Å
329L97.3Very high96.3Very high0 Ų059.4 Ų59.40%029%0.291CS..G310 helixtrans-79.2-23.3179.4-62.7-179.1000113.3V13 L43 L46 L48 W291 V325 P326 Q327V13-L329 HydrophobicContact CG1-CB 4.15Å; L43-L329 HydrophobicContact CD1-CD1 3.86Å; L43-L329 HydrophobicContact CD1-CD2 4.09Å; L43-L329 HydrophobicContact CG-CD1 4.13Å; L46-L329 HydrophobicContact CB-CD2 3.88Å; L48-L329 WeakPolarHBondContact CB-O 3.43Å; L48-L329 WeakPolarHBondContact CD1-O 3.43Å; L48-L329 HydrophobicContact CG-CD2 4.3Å; L48-L329 WeakPolarHBondContact CG-O 3.49Å; W291-L329 VanDerWaalsContact NE1-CD1 3.29Å; V325-L329 HydrophobicContact CG1-CD1 4.36Å; P326-L329 HydrophobicContact CB-CD1 4.26Å; P326-L329 HydrophobicContact CB-CG 4.25Å; P326-L329 HydrophobicContact CG-CD1 4.18Å; P326-L329 WeakPolarHBondContact O-CB 3.49Å; P326-L329 PolarHBondContact O-N 2.88Å; Q327-L329 PolarHBondContact O-N 3.48Å; Q327-L329 VanDerWaalsContact O-N 3.16Å
330H96.7Very high96.3Very high12 Ų1258.9 Ų58.96%0.05629%0.288CS..THydrogen-bonded Turntrans-126.6-8.9-1756681.7000113.5V9 V13 P326 Q327 D332 R336V9-H330 HydrophobicContact CG1-CB 3.78Å; V13-H330 HydrophobicContact CG2-CB 3.76Å; P326-H330 PolarHBondContact O-CD2 3.23Å; Q327-H330 WeakPolarHBondContact CA-NE2 3.46Å; Q327-H330 PolarHBondContact O-N 3.43Å; Q327-H330 VanDerWaalsContact O-N 3.17Å; H330-D332 PolarHBondContact O-N 3.16Å; H330-R336 WeakPolarHBondContact O-CD 3.47Å
331R96.1Very high96.4Very high124 Ų12461.1 Ų61.147%0.46830%0.296SS..THydrogen-bonded Turntrans-61.2-50.1-174.7-173.9-175.764.7-146.1-11.5112.3Q327 R336Q327-R331 WeakPolarHBondContact O-CB 3.34Å; Q327-R331 PolarHBondContact O-N 2.78Å; R331-R336 VanDerWaalsContact CA-NH1 3.35Å; R331-R336 PolarHBondContact O-NH1 3.09Å
332D96.2Very high96.5Very high53 Ų5360.6 Ų60.628%0.28329%0.291SS..THydrogen-bonded Turntrans-107.518.5-171.4-53.1-43.2000111.6K47 L48 H330K47-D332 WeakPolarHBondContact CE-OD2 3.4Å; K47-D332 IonicContact NZ-OD2 3.17Å; K47-D332 PolarHBondContact NZ-OD2 3.36Å; L48-D332 CarbonylContact O-C 3.58Å; H330-D332 PolarHBondContact O-N 3.16Å
333L97.4Very high96.6Very high8 Ų858.6 Ų58.64%0.04228%0.281CS..  trans-61.7138.8-178-174.173.8000111.1V9 A12 V13 A16 L48 L55 K335 R336 L339V9-L333 HydrophobicContact CG1-CD2 4.25Å; A12-L333 HydrophobicContact CB-CD2 3.8Å; V13-L333 HydrophobicContact CG2-CD1 4.35Å; V13-L333 HydrophobicContact CG2-CD2 3.77Å; A16-L333 HydrophobicContact CB-CD1 4.26Å; L48-L333 HydrophobicContact CB-CD1 4.06Å; L48-L333 HydrophobicContact CD1-CD1 4.28Å; L48-L333 WeakPolarHBondContact O-CA 3.49Å; L48-L333 PolarHBondContact O-N 3.03Å; L55-L333 HydrophobicContact CD2-CD1 4.25Å; L333-K335 PolarHBondContact O-N 3.15Å; L333-R336 HydrophobicContact CB-CB 4.31Å; L333-R336 WeakPolarHBondContact O-CB 3.48Å; L333-R336 PolarHBondContact O-N 3.33Å; L333-L339 HydrophobicContact CD2-CD1 4.22Å
334D94.7Very high96.9Very high33 Ų3356.8 Ų56.818%0.17626%0.26CS..THydrogen-bonded Turntrans-55138.1173.4-174.521.9000111P50 L55 R336P50-D334 HydrophobicContact CB-CB 3.96Å; P50-D334 HydrophobicContact CG-CB 3.87Å; L55-D334 HydrophobicContact CD1-CB 4.17Å; L55-D334 WeakPolarHBondContact CD1-O 3.43Å; L55-D334 HydrophobicContact CG-CB 4.07Å; D334-R336 PolarHBondContact O-N 3.4Å
335K96.3Very high97.3Very high90 Ų9052.6 Ų52.639%0.39125%0.246SC..THydrogen-bonded Turntrans5420.2-179.2-53.8-174.4-175.2-62.40115.9L55 L60 M63 L333 E337 R338 L339L55-K335 HydrophobicContact CD1-CB 4.2Å; L55-K335 HydrophobicContact CD1-CD 4.31Å; L55-K335 HydrophobicContact CD1-CG 4.32Å; L60-K335 HydrophobicContact CD2-CD 3.96Å; M63-K335 HydrophobicContact CE-CB 4.06Å; M63-K335 HydrophobicContact CE-CD 3.93Å; M63-K335 HydrophobicContact SD-CB 4.42Å; M63-K335 HydrophobicContact SD-CD 3.9Å; L333-K335 PolarHBondContact O-N 3.15Å; K335-E337 PolarHBondContact O-N 3.26Å; K335-R338 HydrophobicContact CB-CB 4.41Å; K335-R338 WeakPolarHBondContact O-CB 3.11Å; K335-R338 PolarHBondContact O-N 3.36Å; K335-R338 VanDerWaalsContact O-N 3.1Å; K335-L339 WeakPolarHBondContact O-CG 3.24Å; K335-L339 PolarHBondContact O-N 3.16Å
336R97.4Very high97.4Very high63 Ų6352.2 Ų52.224%0.23824%0.243CC..Hα-helixtrans-51.2-51.4-177.7-172.5-160.2173.3175.3-9.3113.6V9 H330 R331 L333 D334 R338 L339 E340V9-R336 HydrophobicContact CG2-CG 4.3Å; H330-R336 WeakPolarHBondContact O-CD 3.47Å; R331-R336 VanDerWaalsContact CA-NH1 3.35Å; R331-R336 PolarHBondContact O-NH1 3.09Å; L333-R336 HydrophobicContact CB-CB 4.31Å; L333-R336 WeakPolarHBondContact O-CB 3.48Å; L333-R336 PolarHBondContact O-N 3.33Å; D334-R336 PolarHBondContact O-N 3.4Å; R336-R338 VanDerWaalsContact C-N 3.29Å; R336-R338 PolarHBondContact O-N 3.03Å; R336-L339 WeakPolarHBondContact O-CB 3.45Å; R336-L339 PolarHBondContact O-N 2.65Å; R336-L339 VanDerWaalsContact O-N 3.12Å; R336-E340 IonicContact CZ-OE1 3.46Å; R336-E340 VanDerWaalsContact CZ-OE1 3.29Å; R336-E340 IonicContact NE-OE1 3.88Å; R336-E340 PolarHBondContact NE-OE1 2.86Å; R336-E340 IonicContact NH2-OE1 3.9Å; R336-E340 PolarHBondContact NH2-OE1 2.97Å; R336-E340 WeakPolarHBondContact O-CG 3.47Å; R336-E340 PolarHBondContact O-N 3.37Å
337E98.3Very high97.5Very high152 Ų15254.5 Ų54.571%0.7125%0.248SC*.Hα-helixtrans-57.6-45.2-179.6-67-179.4173.100110.8K335 L339 E340 E341K335-E337 PolarHBondContact O-N 3.26Å; E337-L339 VanDerWaalsContact C-N 3.35Å; E337-L339 PolarHBondContact O-N 3.02Å; E337-E340 PolarHBondContact O-N 3.26Å; E337-E341 WeakPolarHBondContact O-CG 3.47Å; E337-E341 PolarHBondContact O-N 3.47Å
338R98.4Very high97.6Very high91 Ų9151.4 Ų51.434%0.34324%0.236SC..Hα-helixtrans-62.4-39.7176.8-176.558.5-179.4162.2-0.3112.5M63 E67 K335 R336 E341 L342M63-R338 HydrophobicContact CE-CB 4Å; M63-R338 HydrophobicContact CE-CG 3.43Å; M63-R338 VanDerWaalsContact CE-CG 3.43Å; E67-R338 IonicContact OE1-CZ 2.83Å; E67-R338 IonicContact OE1-NE 2.74Å; E67-R338 PolarHBondContact OE1-NE 3.14Å; E67-R338 VanDerWaalsContact OE1-NE 3.13Å; E67-R338 IonicContact OE1-NH2 3.37Å; E67-R338 PolarHBondContact OE1-NH2 3.03Å; K335-R338 HydrophobicContact CB-CB 4.41Å; K335-R338 WeakPolarHBondContact O-CB 3.11Å; K335-R338 PolarHBondContact O-N 3.36Å; K335-R338 VanDerWaalsContact O-N 3.1Å; R336-R338 VanDerWaalsContact C-N 3.29Å; R336-R338 PolarHBondContact O-N 3.03Å; R338-E341 WeakPolarHBondContact CD-OE2 3.48Å; R338-E341 IonicContact NH1-OE2 3.61Å; R338-E341 PolarHBondContact NH1-OE2 3.12Å; R338-E341 PolarHBondContact O-N 2.84Å; R338-L342 HydrophobicContact CG-CD1 4.3Å; R338-L342 WeakPolarHBondContact O-CB 3.46Å; R338-L342 VanDerWaalsContact O-CG 3.26Å; R338-L342 WeakPolarHBondContact O-CG 3.42Å; R338-L342 PolarHBondContact O-N 3.26Å
339L98.8Very high97.6Very high0 Ų050.4 Ų50.40%023%0.233CC..Hα-helixtrans-63.8-41.1175.4-70.6161.6000111.6M8 V9 A12 V59 M63 L333 K335 R336 E337 L342 G343M8-L339 HydrophobicContact CB-CB 4.06Å; M8-L339 HydrophobicContact CB-CD2 4.16Å; M8-L339 VanDerWaalsContact CB-O 3.27Å; M8-L339 WeakPolarHBondContact CB-O 3.46Å; M8-L339 HydrophobicContact CE-CD2 4.25Å; V9-L339 HydrophobicContact CG2-CB 4.11Å; A12-L339 HydrophobicContact CB-CD1 3.37Å; A12-L339 HydrophobicContact CB-CD2 4.29Å; A12-L339 HydrophobicContact CB-CG 4.48Å; V59-L339 HydrophobicContact CG1-CD2 4.48Å; M63-L339 HydrophobicContact CE-CD2 4.09Å; M63-L339 HydrophobicContact CE-CG 4.19Å; M63-L339 HydrophobicContact CG-CD2 3.6Å; M63-L339 HydrophobicContact SD-CD2 3.71Å; M63-L339 HydrophobicContact SD-CG 4.21Å; L333-L339 HydrophobicContact CD2-CD1 4.22Å; K335-L339 WeakPolarHBondContact O-CG 3.24Å; K335-L339 PolarHBondContact O-N 3.16Å; R336-L339 WeakPolarHBondContact O-CB 3.45Å; R336-L339 PolarHBondContact O-N 2.65Å; R336-L339 VanDerWaalsContact O-N 3.12Å; E337-L339 VanDerWaalsContact C-N 3.35Å; E337-L339 PolarHBondContact O-N 3.02Å; L339-L342 PolarHBondContact O-N 2.94Å; L339-G343 PolarHBondContact O-N 3.16Å
340E98.8Very high97.4Very high46 Ų4650.4 Ų50.422%0.21523%0.233CC..Hα-helixtrans-65.5-42.3175.5-69.1178.8175.200111.5K5 V9 R336 E337 G343 E344K5-E340 HydrophobicContact CB-CG 4.45Å; K5-E340 HydrophobicContact CD-CB 4.35Å; K5-E340 WeakPolarHBondContact CG-O 3.34Å; V9-E340 HydrophobicContact CG2-CG 3.62Å; R336-E340 IonicContact CZ-OE1 3.46Å; R336-E340 VanDerWaalsContact CZ-OE1 3.29Å; R336-E340 IonicContact NE-OE1 3.88Å; R336-E340 PolarHBondContact NE-OE1 2.86Å; R336-E340 IonicContact NH2-OE1 3.9Å; R336-E340 PolarHBondContact NH2-OE1 2.97Å; R336-E340 WeakPolarHBondContact O-CG 3.47Å; R336-E340 PolarHBondContact O-N 3.37Å; E337-E340 PolarHBondContact O-N 3.26Å; E340-G343 PolarHBondContact O-N 3.28Å; E340-E344 PolarHBondContact O-N 2.79Å
341E98.8Very high97Very high103 Ų10351.7 Ų51.748%0.48124%0.244SC..Hα-helixtrans-59.1-47.6173.3-73.2173.2-179.200112E337 R338 G343 E344 A345E337-E341 WeakPolarHBondContact O-CG 3.47Å; E337-E341 PolarHBondContact O-N 3.47Å; R338-E341 WeakPolarHBondContact CD-OE2 3.48Å; R338-E341 IonicContact NH1-OE2 3.61Å; R338-E341 PolarHBondContact NH1-OE2 3.12Å; R338-E341 PolarHBondContact O-N 2.84Å; E341-G343 VanDerWaalsContact C-N 3.34Å; E341-G343 PolarHBondContact O-N 3.01Å; E341-E344 PolarHBondContact O-N 3.27Å; E341-A345 WeakPolarHBondContact O-CB 3.36Å; E341-A345 PolarHBondContact O-N 3.29Å
342L98.8Very high96.2Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-62.5-41.9178.3-71.4172.5000111.6M8 M63 A66 E67 I70 R338 L339 E344 A345 L346M8-L342 HydrophobicContact CE-CB 4.29Å; M8-L342 HydrophobicContact CE-CD1 4.43Å; M63-L342 HydrophobicContact CB-CD1 3.9Å; M63-L342 HydrophobicContact CE-CD1 3.88Å; M63-L342 HydrophobicContact CG-CD1 4.04Å; A66-L342 HydrophobicContact CB-CB 4.43Å; A66-L342 HydrophobicContact CB-CD1 4.4Å; A66-L342 HydrophobicContact CB-CD2 4.4Å; E67-L342 HydrophobicContact CG-CD1 4.32Å; E67-L342 HydrophobicContact CG-CD2 3.52Å; I70-L342 HydrophobicContact CD1-CD2 3.82Å; R338-L342 HydrophobicContact CG-CD1 4.3Å; R338-L342 WeakPolarHBondContact O-CB 3.46Å; R338-L342 VanDerWaalsContact O-CG 3.26Å; R338-L342 WeakPolarHBondContact O-CG 3.42Å; R338-L342 PolarHBondContact O-N 3.26Å; L339-L342 PolarHBondContact O-N 2.94Å; L342-E344 VanDerWaalsContact C-N 3.34Å; L342-E344 PolarHBondContact O-N 3.34Å; L342-A345 PolarHBondContact O-N 3.32Å; L342-L346 WeakPolarHBondContact O-CB 3.43Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.48Å; L342-L346 PolarHBondContact O-N 2.94Å
343G98.8Very high94.7Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-61.8-40.8175.500000112.6F4 L339 E340 E341 Y347F4-G343 WeakPolarHBondContact CB-O 3.39Å; L339-G343 PolarHBondContact O-N 3.16Å; E340-G343 PolarHBondContact O-N 3.28Å; E341-G343 VanDerWaalsContact C-N 3.34Å; E341-G343 PolarHBondContact O-N 3.01Å; G343-Y347 PolarHBondContact O-N 3.3Å; G343-Y347 VanDerWaalsContact O-N 3.15Å
344E98.8Very high92.4Very high70 Ų7054.6 Ų54.633%0.32727%0.269SS..Hα-helixtrans-65.6-47.9174.6-171.8165.916400112.5M1 K5 E340 E341 L342 L346 Y347 N348M1-E344 HydrophobicContact CG-CG 4.1Å; M1-E344 HydrophobicContact SD-CG 3.88Å; K5-E344 WeakPolarHBondContact CE-OE2 3.5Å; K5-E344 IonicContact NZ-OE2 3.19Å; K5-E344 PolarHBondContact NZ-OE2 2.62Å; E340-E344 PolarHBondContact O-N 2.79Å; E341-E344 PolarHBondContact O-N 3.27Å; L342-E344 VanDerWaalsContact C-N 3.34Å; L342-E344 PolarHBondContact O-N 3.34Å; E344-L346 VanDerWaalsContact C-N 3.35Å; E344-L346 PolarHBondContact O-N 3.47Å; E344-Y347 WeakPolarHBondContact O-CB 3.36Å; E344-Y347 PolarHBondContact O-N 3Å; E344-Y347 VanDerWaalsContact O-N 3.14Å; E344-N348 PolarHBondContact O-N 2.79Å; E344-N348 PolarHBondContact O-ND2 3.27Å
345A98.6Very high89.7Confident29 Ų2958 Ų5824%0.2429%0.294CS..Hα-helixtrans-61.6-42.2179.700000111.8I70 E341 L342 Y347 N348 A349I70-A345 HydrophobicContact CB-CB 4.17Å; I70-A345 HydrophobicContact CD1-CB 3.59Å; I70-A345 HydrophobicContact CG1-CB 4.48Å; I70-A345 HydrophobicContact CG2-CB 3.83Å; E341-A345 WeakPolarHBondContact O-CB 3.36Å; E341-A345 PolarHBondContact O-N 3.29Å; L342-A345 PolarHBondContact O-N 3.32Å; A345-Y347 VanDerWaalsContact C-N 3.34Å; A345-Y347 PolarHBondContact O-N 3.13Å; A345-N348 PolarHBondContact O-N 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.43Å; A345-A349 PolarHBondContact O-N 3.21Å
346L98.4Very high87.1Confident0 Ų059 Ų590%031%0.308CS..Hα-helixtrans-59.9-43.1173.5-78.4169.1000111.9F4 M8 A66 L69 I70 C138 M141 R142 L342 E344 N348 A350F4-L346 HydrophobicContact CD1-CB 4.03Å; F4-L346 HydrophobicContact CE1-CB 4.44Å; M8-L346 HydrophobicContact SD-CD1 4.1Å; A66-L346 HydrophobicContact CB-CD1 3.9Å; A66-L346 HydrophobicContact CB-CG 4.48Å; L69-L346 HydrophobicContact CB-CD2 3.99Å; L69-L346 HydrophobicContact CD1-CD2 4.38Å; I70-L346 HydrophobicContact CG2-CB 4.47Å; I70-L346 HydrophobicContact CG2-CD2 3.8Å; I70-L346 HydrophobicContact CG2-CG 3.89Å; C138-L346 HydrophobicContact CB-CD1 3.78Å; C138-L346 HydrophobicContact CB-CD2 4.46Å; M141-L346 HydrophobicContact CE-CD1 3.84Å; M141-L346 HydrophobicContact SD-CD1 4.24Å; R142-L346 HydrophobicContact CB-CD2 4.33Å; L342-L346 WeakPolarHBondContact O-CB 3.43Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.48Å; L342-L346 PolarHBondContact O-N 2.94Å; E344-L346 VanDerWaalsContact C-N 3.35Å; E344-L346 PolarHBondContact O-N 3.47Å; L346-N348 VanDerWaalsContact C-N 3.35Å; L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.34Å; L346-A350 PolarHBondContact O-N 3.05Å
347Y98.2Very high84.3Confident84 Ų8463.1 Ų63.133%0.32933%0.33SS..Hα-helixtrans-62.2-44.1176.9174-101.3000111.6M1 F4 G343 E344 A345 S351M1-Y347 HydrophobicContact CB-CD1 3.65Å; M1-Y347 HydrophobicContact CB-CE1 3.84Å; M1-Y347 HydrophobicContact CB-CG 4.05Å; M1-Y347 HydrophobicContact CG-CD1 4.03Å; M1-Y347 HydrophobicContact CG-CG 4.5Å; F4-Y347 HydrophobicContact CD2-CD2 4.2Å; F4-Y347 HydrophobicContact CE1-CD2 4.45Å; F4-Y347 HydrophobicContact CE2-CD2 4.13Å; F4-Y347 HydrophobicContact CG-CD2 4.41Å; F4-Y347 HydrophobicContact CZ-CD2 4.26Å; G343-Y347 PolarHBondContact O-N 3.3Å; G343-Y347 VanDerWaalsContact O-N 3.15Å; E344-Y347 WeakPolarHBondContact O-CB 3.36Å; E344-Y347 PolarHBondContact O-N 3Å; E344-Y347 VanDerWaalsContact O-N 3.14Å; A345-Y347 VanDerWaalsContact C-N 3.34Å; A345-Y347 PolarHBondContact O-N 3.13Å; Y347-S351 VanDerWaalsContact O-CB 3.27Å; Y347-S351 WeakPolarHBondContact O-CB 3.47Å; Y347-S351 PolarHBondContact O-N 3.38Å; Y347-S351 PolarHBondContact O-OG 3.37Å
348N97.4Very high81.2Confident78 Ų7867.7 Ų67.742%0.41735%0.347SS..Hα-helixtrans-65.4-47.1179.1-68.7-21.2000111.1E344 A345 L346 A350 S351 A352E344-N348 PolarHBondContact O-N 2.79Å; E344-N348 PolarHBondContact O-ND2 3.27Å; A345-N348 PolarHBondContact O-N 3.27Å; L346-N348 VanDerWaalsContact C-N 3.35Å; N348-A350 PolarHBondContact O-N 3.45Å; N348-S351 PolarHBondContact O-N 2.87Å; N348-S351 VanDerWaalsContact O-N 3.12Å; N348-A352 WeakPolarHBondContact O-CB 3.39Å; N348-A352 PolarHBondContact O-N 3.41Å
349A95.3Very high80.3Confident22 Ų2266.5 Ų66.518%0.18235%0.348CS..Hα-helixtrans-61.3-44.5177.700000112.1A345 S351A345-A349 WeakPolarHBondContact O-CB 3.43Å; A345-A349 PolarHBondContact O-N 3.21Å; A349-S351 PolarHBondContact O-N 2.95Å
350A94.2Very high79.3Confident0 Ų070 Ų700%037%0.366CS..Hα-helixtrans-65.7-26.3176.100000113.1R142 Q145 L346 N348R142-A350 WeakPolarHBondContact O-CB 3.44Å; Q145-A350 PolarHBondContact NE2-O 3.25Å; L346-A350 VanDerWaalsContact O-CB 3.24Å; L346-A350 WeakPolarHBondContact O-CB 3.34Å; L346-A350 PolarHBondContact O-N 3.05Å; N348-A350 PolarHBondContact O-N 3.45Å
351S87.9Confident78.3Confident39 Ų3971.3 Ų71.327%0.27337%0.374SS..Hα-helixtrans-89.7-32.7-179-57.80000113.1Y347 N348 A349 K354Y347-S351 VanDerWaalsContact O-CB 3.27Å; Y347-S351 WeakPolarHBondContact O-CB 3.47Å; Y347-S351 PolarHBondContact O-N 3.38Å; Y347-S351 PolarHBondContact O-OG 3.37Å; N348-S351 PolarHBondContact O-N 2.87Å; N348-S351 VanDerWaalsContact O-N 3.12Å; A349-S351 PolarHBondContact O-N 2.95Å; S351-K354 VanDerWaalsContact O-CB 3.26Å; S351-K354 WeakPolarHBondContact O-CB 3.1Å; S351-K354 PolarHBondContact O-N 3.48Å
352A77.9Confident77Confident61 Ų6169.5 Ų69.550%0.50437%0.368SS..Hα-helixtrans-65.7-39.7-178.300000112.3N348 K354 C355N348-A352 WeakPolarHBondContact O-CB 3.39Å; N348-A352 PolarHBondContact O-N 3.41Å; A352-K354 PolarHBondContact O-N 3.03Å; A352-K354 VanDerWaalsContact O-N 3.14Å; A352-C355 PolarHBondContact O-N 2.76Å
353E65Low75.7Confident49 Ų4973.8 Ų73.823%0.22939%0.391CS..THydrogen-bonded Turntrans-66-15177.3-69.7-170.7166.100113.7R142 R148 C355 T356R142-E353 IonicContact CZ-OE1 3.17Å; R142-E353 IonicContact CZ-OE2 2.73Å; R142-E353 IonicContact NH1-OE1 3.38Å; R142-E353 IonicContact NH1-OE2 3.74Å; R142-E353 PolarHBondContact NH1-OE2 3.37Å; R142-E353 IonicContact NH2-OE1 3.87Å; R142-E353 PolarHBondContact NH2-OE1 2.97Å; R142-E353 IonicContact NH2-OE2 2.72Å; R142-E353 PolarHBondContact NH2-OE2 2.94Å; R148-E353 IonicContact CZ-OE2 2.87Å; R148-E353 IonicContact NH1-OE2 2.76Å; R148-E353 PolarHBondContact NH1-OE2 3.37Å; R148-E353 IonicContact NH2-OE2 3.63Å; R148-E353 PolarHBondContact NH2-OE2 2.87Å; E353-C355 VanDerWaalsContact C-N 3.29Å; E353-T356 PolarHBondContact O-OG1 2.72Å
354K50.6Low74.2Confident137 Ų13778.7 Ų78.760%0.59642%0.417SS*.THydrogen-bonded Turntrans-73.5-22.2173.3-164.7176.9-179.5175.80112.5S351 A352S351-K354 VanDerWaalsContact O-CB 3.26Å; S351-K354 WeakPolarHBondContact O-CB 3.1Å; S351-K354 PolarHBondContact O-N 3.48Å; A352-K354 PolarHBondContact O-N 3.03Å; A352-K354 VanDerWaalsContact O-N 3.14Å
355C37.3Very low72.4Confident103 Ų10379.4 Ų79.470%0.69642%0.423SS*.THydrogen-bonded Turntrans-88.1-16.5-178.2-82.10000113.5A352 E353A352-C355 PolarHBondContact O-N 2.76Å; E353-C355 VanDerWaalsContact C-N 3.29Å
356T42.1Very low70.4Confident113 Ų11383.2 Ų83.269%0.69344%0.438SS*.THydrogen-bonded Turntrans-87.2-8.2-179.841.10000114.3E353E353-T356 PolarHBondContact O-OG1 2.72Å
357E39.1Very low68Low148 Ų14890.2 Ų90.269%0.69247%0.474SS*.THydrogen-bonded Turntrans-107.118178.7-67.9-178175.700113.7
358K31.6Very low65.3Low248 Ų24890.7 Ų90.7100%1.07849%0.487SS*.  trans-112.50167-78.9-172.7176.5-176.30110.1

Retrieved 358 of 358 residues in 778.9 ms (Link to these results)

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