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Isoform 2 of 14-3-3-like protein G-BOX factor 14 lambda AlphaSync

Canonical isoform description: Is associated with a DNA binding complex that binds to the G box, a well-characterized cis-acting DNA regulatory element found in plant genes (By similarity). Specific negative regulator of slow-vacuolar (SV) ion channel. Mediates F-actin dynamics possibly through inhibiting ADF1 phosphorylation1. Negative regulator of freezing tolerance that modulates cold-responsive C-repeat-binding factors (CBF) DREB1A and DREB1B proteins stability by facilitating their ubiquitin-mediated degradation when activated by CRPK1-mediated phosphorylation in freezing conditions; this processus is counteracted by B1L2,3.

AlphaFold DB , UniProt , Accession P48349-2 (canonical: P48349), Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene GRF6, Length 273 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
1M41.1Very low81.6Confident243 Ų24388.7 Ų88.7100%1.19752%0.521SS*.  0115.30-71.5167.7-169.700105.9A3M1-A3 PolarHBondContact O-N 3.18Å
2A55Low82.9Confident101 Ų10193.3 Ų93.384%0.83553%0.525SS*.PPolyproline II helixtrans-59.4130.2167.600000106.7T4A2-T4 PolarHBondContact O-N 3.13Å
3A64.5Low84.1Confident85 Ų8590.8 Ų90.870%0.70251%0.507SS*.PPolyproline II helixtrans-58.2129.9175.800000108.2M1 L5M1-A3 PolarHBondContact O-N 3.18Å; A3-L5 PolarHBondContact O-N 3.41Å
4T79.4Confident85.1Confident115 Ų11584.4 Ų84.471%0.70647%0.471SS*.PPolyproline II helixtrans-55.8123.1170.5-50.60000107.5A2 Y10A2-T4 PolarHBondContact O-N 3.13Å; T4-Y10 WeakPolarHBondContact CG2-OH 3.37Å
5L87.5Confident86Confident53 Ų5382.9 Ų82.928%0.27746%0.458SS..PPolyproline II helixtrans-69.9152.1-178.5-61.1177.3000110A3 Q9 Y10 M13A3-L5 PolarHBondContact O-N 3.41Å; L5-Q9 HydrophobicContact CB-CB 3.81Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; L5-Q9 HydrophobicContact CG-CB 4.43Å; L5-Y10 HydrophobicContact CB-CD1 3.97Å; L5-Y10 HydrophobicContact CB-CD2 4.08Å; L5-Y10 HydrophobicContact CB-CE1 3.73Å; L5-Y10 HydrophobicContact CB-CE2 3.87Å; L5-Y10 HydrophobicContact CB-CG 4.12Å; L5-Y10 HydrophobicContact CD1-CD1 3.92Å; L5-Y10 HydrophobicContact CD1-CE1 3.87Å; L5-Y10 HydrophobicContact CG-CD1 4.46Å; L5-Y10 HydrophobicContact CG-CE1 4.09Å; L5-Y10 PolarHBondContact N-OH 3.38Å; L5-Y10 WeakPolarHBondContact O-CE2 3.4Å; L5-M13 HydrophobicContact CD1-CG 3.7Å
6G91.1Very high86.8Confident36 Ų3681.9 Ų81.937%0.37145%0.451SS..PPolyproline II helixtrans-71.9164.3167.300000111.9D8 Q9 Y10G6-D8 PolarHBondContact O-N 3.48Å; G6-Q9 WeakPolarHBondContact O-CA 3.47Å; G6-Q9 WeakPolarHBondContact O-CB 3.5Å; G6-Q9 PolarHBondContact O-N 3.49Å; G6-Y10 WeakPolarHBondContact O-CD2 3.3Å; G6-Y10 PolarHBondContact O-N 3.2Å
7R93.4Very high87.4Confident64 Ų6477.4 Ų77.424%0.24243%0.427CS..Hα-helixtrans-50.6-52.1-180-171.9172.6-178.4135.53.1112.5Q9 Y10 V11 L33 E41 E42 E47R7-Q9 VanDerWaalsContact C-N 3.26Å; R7-Q9 PolarHBondContact O-N 3.13Å; R7-Y10 PolarHBondContact O-N 3.36Å; R7-Y10 VanDerWaalsContact O-N 3.12Å; R7-V11 PolarHBondContact O-N 3.32Å; R7-L33 HydrophobicContact CG-CD1 4.26Å; R7-L33 HydrophobicContact CG-CG 4.17Å; R7-E41 IonicContact CZ-OE2 3.02Å; R7-E41 IonicContact NH1-OE2 3.44Å; R7-E41 PolarHBondContact NH1-OE2 2.64Å; R7-E42 PolarHBondContact NH2-O 2.96Å; R7-E47 IonicContact CZ-OE1 3.66Å; R7-E47 IonicContact CZ-OE2 3.38Å; R7-E47 IonicContact NE-OE1 3.17Å; R7-E47 PolarHBondContact NE-OE1 2.92Å; R7-E47 IonicContact NE-OE2 2.69Å; R7-E47 VanDerWaalsContact NH2-CD 3.34Å; R7-E47 IonicContact NH2-OE1 3.27Å; R7-E47 PolarHBondContact NH2-OE1 2.85Å; R7-E47 IonicContact NH2-OE2 2.73Å; R7-E47 PolarHBondContact NH2-OE2 3.18Å
8D94.5Very high88Confident139 Ų13976.9 Ų76.974%0.74342%0.421SS*.Hα-helixtrans-62.4-32.3178.5-61.6-20.9000113.1G6 V11 Y12G6-D8 PolarHBondContact O-N 3.48Å; D8-V11 PolarHBondContact O-N 3.05Å; D8-Y12 WeakPolarHBondContact O-CB 3.39Å; D8-Y12 PolarHBondContact O-N 3.34Å
9Q96.1Very high88.5Confident107 Ų10781.1 Ų81.150%0.544%0.437SS..Hα-helixtrans-72.3-38176.6-68177.4-43.400111.1L5 G6 R7 Y12 M13L5-Q9 HydrophobicContact CB-CB 3.81Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; L5-Q9 HydrophobicContact CG-CB 4.43Å; G6-Q9 WeakPolarHBondContact O-CA 3.47Å; G6-Q9 WeakPolarHBondContact O-CB 3.5Å; G6-Q9 PolarHBondContact O-N 3.49Å; R7-Q9 VanDerWaalsContact C-N 3.26Å; R7-Q9 PolarHBondContact O-N 3.13Å; Q9-Y12 PolarHBondContact O-N 2.9Å; Q9-M13 WeakPolarHBondContact O-CB 3.46Å; Q9-M13 VanDerWaalsContact O-CG 3.26Å; Q9-M13 WeakPolarHBondContact O-CG 3.31Å; Q9-M13 PolarHBondContact O-N 3.21Å
10Y97Very high89Confident20 Ų2080.2 Ų80.28%0.07844%0.442CS..Hα-helixtrans-64.3-41.3171.9-75.6-57.5000112T4 L5 G6 R7 Y12 M13 A14 F29 Q32 L33T4-Y10 WeakPolarHBondContact CG2-OH 3.37Å; L5-Y10 HydrophobicContact CB-CD1 3.97Å; L5-Y10 HydrophobicContact CB-CD2 4.08Å; L5-Y10 HydrophobicContact CB-CE1 3.73Å; L5-Y10 HydrophobicContact CB-CE2 3.87Å; L5-Y10 HydrophobicContact CB-CG 4.12Å; L5-Y10 HydrophobicContact CD1-CD1 3.92Å; L5-Y10 HydrophobicContact CD1-CE1 3.87Å; L5-Y10 HydrophobicContact CG-CD1 4.46Å; L5-Y10 HydrophobicContact CG-CE1 4.09Å; L5-Y10 PolarHBondContact N-OH 3.38Å; L5-Y10 WeakPolarHBondContact O-CE2 3.4Å; G6-Y10 WeakPolarHBondContact O-CD2 3.3Å; G6-Y10 PolarHBondContact O-N 3.2Å; R7-Y10 PolarHBondContact O-N 3.36Å; R7-Y10 VanDerWaalsContact O-N 3.12Å; Y10-Y12 VanDerWaalsContact C-N 3.33Å; Y10-Y12 PolarHBondContact O-N 2.74Å; Y10-M13 PolarHBondContact O-N 3.48Å; Y10-A14 WeakPolarHBondContact O-CB 3.24Å; Y10-A14 PolarHBondContact O-N 3.34Å; Y10-F29 HydrophobicContact CD1-CB 4.27Å; Y10-F29 HydrophobicContact CD1-CD1 4.11Å; Y10-F29 HydrophobicContact CE1-CD1 4.43Å; Y10-Q32 HydrophobicContact CD1-CB 4.09Å; Y10-Q32 HydrophobicContact CE1-CB 3.48Å; Y10-Q32 VanDerWaalsContact CE1-CB 3.48Å; Y10-Q32 HydrophobicContact CE1-CG 4.18Å; Y10-Q32 HydrophobicContact CE2-CB 3.97Å; Y10-Q32 VanDerWaalsContact CZ-CB 3.42Å; Y10-L33 HydrophobicContact CD2-CB 4.33Å; Y10-L33 HydrophobicContact CG-CB 4.28Å
11V97.6Very high89.4Confident13 Ų1383.2 Ų83.28%0.07945%0.452CS..Hα-helixtrans-58.9-46.1173.2175.30000110.8R7 D8 A14 K15 L33 E47 L50R7-V11 PolarHBondContact O-N 3.32Å; D8-V11 PolarHBondContact O-N 3.05Å; V11-A14 PolarHBondContact O-N 2.89Å; V11-K15 HydrophobicContact CG1-CD 4.23Å; V11-K15 WeakPolarHBondContact O-CG 3.22Å; V11-K15 PolarHBondContact O-N 3.29Å; V11-L33 HydrophobicContact CG2-CD1 3.46Å; V11-L33 VanDerWaalsContact CG2-CD1 3.46Å; V11-E47 HydrophobicContact CG2-CG 3.75Å; V11-L50 HydrophobicContact CG1-CD1 3.89Å
12Y98Very high92.1Very high144 Ų14478 Ų7857%0.56542%0.42SS*.Hα-helixtrans-60.5-46.1176.7176.8-107.2000112.3D8 Q9 Y10 A14 K15 L16D8-Y12 WeakPolarHBondContact O-CB 3.39Å; D8-Y12 PolarHBondContact O-N 3.34Å; Q9-Y12 PolarHBondContact O-N 2.9Å; Y10-Y12 VanDerWaalsContact C-N 3.33Å; Y10-Y12 PolarHBondContact O-N 2.74Å; Y12-A14 PolarHBondContact O-N 2.87Å; Y12-K15 PolarHBondContact O-N 3.15Å; Y12-L16 HydrophobicContact CD1-CD1 3.98Å; Y12-L16 HydrophobicContact CD1-CG 4.49Å; Y12-L16 HydrophobicContact CE1-CD1 3.37Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 HydrophobicContact CE2-CD1 4.42Å; Y12-L16 HydrophobicContact CE2-CD2 4.48Å; Y12-L16 HydrophobicContact CE2-CG 4.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.36Å; Y12-L16 PolarHBondContact O-N 3.13Å
13M98.2Very high94.2Very high61 Ų6175.4 Ų75.430%0.339%0.389SS..Hα-helixtrans-64.9-38.3177.7-70.2-57.5-62.200112.2L5 Q9 Y10 L16 A17 F29L5-M13 HydrophobicContact CD1-CG 3.7Å; Q9-M13 WeakPolarHBondContact O-CB 3.46Å; Q9-M13 VanDerWaalsContact O-CG 3.26Å; Q9-M13 WeakPolarHBondContact O-CG 3.31Å; Q9-M13 PolarHBondContact O-N 3.21Å; Y10-M13 PolarHBondContact O-N 3.48Å; M13-L16 PolarHBondContact O-N 3.15Å; M13-L16 HydrophobicContact SD-CD1 4.1Å; M13-A17 WeakPolarHBondContact O-CB 3.2Å; M13-A17 PolarHBondContact O-N 2.64Å; M13-F29 HydrophobicContact CB-CB 4.48Å; M13-F29 HydrophobicContact CB-CD1 3.82Å; M13-F29 HydrophobicContact CB-CD2 3.78Å; M13-F29 HydrophobicContact CB-CE1 3.93Å; M13-F29 HydrophobicContact CB-CE2 3.9Å; M13-F29 HydrophobicContact CB-CG 3.76Å; M13-F29 HydrophobicContact CB-CZ 3.98Å; M13-F29 HydrophobicContact CE-CE1 4.01Å; M13-F29 HydrophobicContact CE-CE2 4.03Å; M13-F29 HydrophobicContact CE-CZ 3.48Å; M13-F29 VanDerWaalsContact CE-CZ 3.48Å; M13-F29 HydrophobicContact CG-CD1 4.49Å; M13-F29 HydrophobicContact CG-CE1 4.3Å; M13-F29 HydrophobicContact CG-CZ 4.48Å
14A98.2Very high95.7Very high0 Ų076.3 Ų76.30%038%0.378CS..Hα-helixtrans-63-41.9174.600000111.7Y10 V11 Y12 A17 E18 M26 F29 M30Y10-A14 WeakPolarHBondContact O-CB 3.24Å; Y10-A14 PolarHBondContact O-N 3.34Å; V11-A14 PolarHBondContact O-N 2.89Å; Y12-A14 PolarHBondContact O-N 2.87Å; A14-A17 PolarHBondContact O-N 3.19Å; A14-E18 WeakPolarHBondContact O-CB 3.23Å; A14-E18 PolarHBondContact O-N 2.9Å; A14-M26 HydrophobicContact CB-CG 4.1Å; A14-F29 HydrophobicContact CB-CB 4.34Å; A14-M30 HydrophobicContact CB-CG 4.04Å; A14-M30 HydrophobicContact CB-SD 3.53Å; A14-M30 VanDerWaalsContact CB-SD 3.53Å
15K98.5Very high96.6Very high63 Ų6374 Ų7427%0.27436%0.359SS..Hα-helixtrans-65.2-35.9174.4-71.7174.2178.1177.40112.9V11 Y12 Q19 E46 L50V11-K15 HydrophobicContact CG1-CD 4.23Å; V11-K15 WeakPolarHBondContact O-CG 3.22Å; V11-K15 PolarHBondContact O-N 3.29Å; Y12-K15 PolarHBondContact O-N 3.15Å; K15-Q19 WeakPolarHBondContact O-CG 2.96Å; K15-Q19 PolarHBondContact O-N 3.05Å; K15-Q19 VanDerWaalsContact O-N 3.15Å; K15-Q19 PolarHBondContact O-NE2 3.12Å; K15-E46 VanDerWaalsContact CE-CD 3.48Å; K15-E46 WeakPolarHBondContact CE-OE1 3.39Å; K15-E46 IonicContact NZ-OE1 2.66Å; K15-E46 PolarHBondContact NZ-OE1 3.49Å; K15-E46 IonicContact NZ-OE2 2.87Å; K15-E46 PolarHBondContact NZ-OE2 3.36Å; K15-L50 HydrophobicContact CG-CD1 4.16Å; K15-L50 HydrophobicContact CG-CD2 4.04Å
16L98.2Very high97.1Very high66 Ų6671.4 Ų71.435%0.34635%0.346SS..Hα-helixtrans-67.1-44.4173.1-74.9-179.5000111.3Y12 M13 E18 Q19 A20Y12-L16 HydrophobicContact CD1-CD1 3.98Å; Y12-L16 HydrophobicContact CD1-CG 4.49Å; Y12-L16 HydrophobicContact CE1-CD1 3.37Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 HydrophobicContact CE2-CD1 4.42Å; Y12-L16 HydrophobicContact CE2-CD2 4.48Å; Y12-L16 HydrophobicContact CE2-CG 4.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.36Å; Y12-L16 PolarHBondContact O-N 3.13Å; M13-L16 PolarHBondContact O-N 3.15Å; M13-L16 HydrophobicContact SD-CD1 4.1Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 3.27Å; L16-Q19 PolarHBondContact O-N 3.43Å; L16-A20 WeakPolarHBondContact O-CB 3.38Å; L16-A20 PolarHBondContact O-N 3.04Å
17A98.2Very high97.5Very high5 Ų570.4 Ų70.44%0.04133%0.332CS..Hα-helixtrans-63.5-39.2177.300000111.8M13 A14 A20 E21 R22 E25 M26 F29M13-A17 WeakPolarHBondContact O-CB 3.2Å; M13-A17 PolarHBondContact O-N 2.64Å; A14-A17 PolarHBondContact O-N 3.19Å; A17-A20 CarbonylContact O-C 3.49Å; A17-A20 PolarHBondContact O-N 3.29Å; A17-E21 PolarHBondContact O-N 3.04Å; A17-R22 HydrophobicContact CB-CB 4.39Å; A17-R22 PolarHBondContact O-N 3.22Å; A17-E25 HydrophobicContact CB-CB 4.47Å; A17-M26 HydrophobicContact CB-CB 3.8Å; A17-M26 HydrophobicContact CB-CG 4.3Å; A17-F29 HydrophobicContact CB-CD2 4.16Å; A17-F29 HydrophobicContact CB-CE2 4.12Å
18E97.9Very high97.7Very high69 Ų6972.8 Ų72.832%0.32235%0.346SS..Hα-helixtrans-59.1-50.3173.3-175.5-179.3-165.300111.7A14 L16 A20 E21 M26 L50 V53A14-E18 WeakPolarHBondContact O-CB 3.23Å; A14-E18 PolarHBondContact O-N 2.9Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 3.27Å; E18-A20 PolarHBondContact O-N 3.3Å; E18-E21 PolarHBondContact O-N 3.42Å; E18-M26 HydrophobicContact CB-CE 3.84Å; E18-M26 HydrophobicContact CB-SD 3.88Å; E18-M26 HydrophobicContact CG-CE 4.24Å; E18-M26 HydrophobicContact CG-SD 4.4Å; E18-L50 WeakPolarHBondContact OE2-CD2 3.45Å; E18-V53 HydrophobicContact CG-CG1 4.42Å
19Q97.6Very high97.8Very high157 Ų15767.8 Ų67.873%0.73432%0.318SS*.Hα-helixtrans-64.3-26178.2-75173.268.900113.3K15 L16K15-Q19 WeakPolarHBondContact O-CG 2.96Å; K15-Q19 PolarHBondContact O-N 3.05Å; K15-Q19 VanDerWaalsContact O-N 3.15Å; K15-Q19 PolarHBondContact O-NE2 3.12Å; L16-Q19 PolarHBondContact O-N 3.43Å
20A97.7Very high97.9Very high63 Ų6362.7 Ų62.752%0.52129%0.294SS..THydrogen-bonded Turntrans-90.71.4175.400000113.3L16 A17 E18 R22L16-A20 WeakPolarHBondContact O-CB 3.38Å; L16-A20 PolarHBondContact O-N 3.04Å; A17-A20 CarbonylContact O-C 3.49Å; A17-A20 PolarHBondContact O-N 3.29Å; E18-A20 PolarHBondContact O-N 3.3Å; A20-R22 HydrophobicContact CB-CG 3.79Å; A20-R22 PolarHBondContact O-N 3.46Å
21E97.5Very high97.9Very high143 Ų14364.7 Ų64.767%0.66830%0.304SS*.THydrogen-bonded Turntrans53.830-173.8-57.6-177.5-165.200113.3A17 E18 Y23A17-E21 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3.42Å; E21-Y23 HydrophobicContact CB-CE2 3.99Å; E21-Y23 PolarHBondContact O-N 3.15Å
22R98.1Very high97.7Very high134 Ų13468.5 Ų68.551%0.50632%0.321SS..  trans-94.163.7178.6-60.9-71.4-75170.5-2.6110.2A17 A20 E24 E25 M26A17-R22 HydrophobicContact CB-CB 4.39Å; A17-R22 PolarHBondContact O-N 3.22Å; A20-R22 HydrophobicContact CB-CG 3.79Å; A20-R22 PolarHBondContact O-N 3.46Å; R22-E24 VanDerWaalsContact C-N 3.31Å; R22-E24 PolarHBondContact O-N 2.82Å; R22-E25 HydrophobicContact CB-CB 4.29Å; R22-E25 HydrophobicContact CB-CG 4.47Å; R22-E25 IonicContact CZ-OE1 3.57Å; R22-E25 IonicContact NE-OE1 3.73Å; R22-E25 PolarHBondContact NE-OE1 3.47Å; R22-E25 IonicContact NH2-OE1 2.78Å; R22-E25 PolarHBondContact NH2-OE1 3.11Å; R22-E25 PolarHBondContact O-N 2.93Å; R22-E25 VanDerWaalsContact O-N 3.14Å; R22-M26 PolarHBondContact O-N 3.44Å
23Y98.1Very high97.6Very high47 Ų4761.9 Ų61.918%0.18430%0.295CS..Hα-helixtrans-66-28.5-169.4-58-67.4000114.4E21 M26 V27 V53 N57E21-Y23 HydrophobicContact CB-CE2 3.99Å; E21-Y23 PolarHBondContact O-N 3.15Å; Y23-M26 HydrophobicContact CD1-SD 4.09Å; Y23-M26 WeakPolarHBondContact O-CB 3.28Å; Y23-M26 PolarHBondContact O-N 3.36Å; Y23-V27 WeakPolarHBondContact O-CG2 3.46Å; Y23-V27 PolarHBondContact O-N 3.22Å; Y23-V53 HydrophobicContact CE1-CG1 4.43Å; Y23-N57 HydrophobicContact CD1-CB 3.63Å; Y23-N57 HydrophobicContact CD2-CB 3.42Å; Y23-N57 VanDerWaalsContact CD2-CB 3.42Å; Y23-N57 HydrophobicContact CE1-CB 3.91Å; Y23-N57 WeakPolarHBondContact CE1-ND2 3.5Å; Y23-N57 HydrophobicContact CE2-CB 3.68Å; Y23-N57 HydrophobicContact CG-CB 3.36Å; Y23-N57 VanDerWaalsContact CZ-CG 3.49Å
24E97.7Very high97.5Very high104 Ų10459.3 Ų59.349%0.48628%0.283SS..Hα-helixtrans-65.4-40174-64.778.6-175.100111.7R22 V27 Q28 V58R22-E24 VanDerWaalsContact C-N 3.31Å; R22-E24 PolarHBondContact O-N 2.82Å; E24-V27 PolarHBondContact O-N 3.37Å; E24-Q28 WeakPolarHBondContact O-CG 3.34Å; E24-Q28 PolarHBondContact O-N 3.33Å; E24-V58 HydrophobicContact CG-CG2 4.2Å
25E97.9Very high97.3Very high65 Ų6562 Ų6230%0.30430%0.3SS..Hα-helixtrans-69.7-38.6173.2-67.1178-136.100110.8A17 R22 V27 Q28 F29A17-E25 HydrophobicContact CB-CB 4.47Å; R22-E25 HydrophobicContact CB-CB 4.29Å; R22-E25 HydrophobicContact CB-CG 4.47Å; R22-E25 IonicContact CZ-OE1 3.57Å; R22-E25 IonicContact NE-OE1 3.73Å; R22-E25 PolarHBondContact NE-OE1 3.47Å; R22-E25 IonicContact NH2-OE1 2.78Å; R22-E25 PolarHBondContact NH2-OE1 3.11Å; R22-E25 PolarHBondContact O-N 2.93Å; R22-E25 VanDerWaalsContact O-N 3.14Å; E25-V27 VanDerWaalsContact C-N 3.3Å; E25-V27 PolarHBondContact O-N 2.97Å; E25-Q28 WeakPolarHBondContact O-CB 3.5Å; E25-Q28 PolarHBondContact O-N 2.75Å; E25-Q28 VanDerWaalsContact O-N 3.1Å; E25-F29 HydrophobicContact CB-CE2 3.97Å; E25-F29 WeakPolarHBondContact O-CD2 3.4Å; E25-F29 WeakPolarHBondContact O-CG 3.35Å; E25-F29 PolarHBondContact O-N 2.89Å
26M98.1Very high96.8Very high0 Ų061.4 Ų61.40%031%0.311CS..Hα-helixtrans-57.4-43.7174.3-164-173.3-179.300111.5A14 A17 E18 R22 Y23 F29 M30 L50 V53 A54A14-M26 HydrophobicContact CB-CG 4.1Å; A17-M26 HydrophobicContact CB-CB 3.8Å; A17-M26 HydrophobicContact CB-CG 4.3Å; E18-M26 HydrophobicContact CB-CE 3.84Å; E18-M26 HydrophobicContact CB-SD 3.88Å; E18-M26 HydrophobicContact CG-CE 4.24Å; E18-M26 HydrophobicContact CG-SD 4.4Å; R22-M26 PolarHBondContact O-N 3.44Å; Y23-M26 HydrophobicContact CD1-SD 4.09Å; Y23-M26 WeakPolarHBondContact O-CB 3.28Å; Y23-M26 PolarHBondContact O-N 3.36Å; M26-F29 PolarHBondContact O-N 3.19Å; M26-M30 VanDerWaalsContact O-CG 3.31Å; M26-M30 WeakPolarHBondContact O-CG 3.36Å; M26-M30 PolarHBondContact O-N 2.83Å; M26-L50 HydrophobicContact CE-CB 3.93Å; M26-L50 HydrophobicContact CE-CD2 3.5Å; M26-L50 HydrophobicContact CE-CG 4.33Å; M26-L50 VanDerWaalsContact CE-O 3.28Å; M26-L50 WeakPolarHBondContact CE-O 3.49Å; M26-V53 HydrophobicContact CE-CB 4.34Å; M26-V53 HydrophobicContact CE-CG1 4.25Å; M26-V53 HydrophobicContact SD-CG1 4.37Å; M26-A54 HydrophobicContact CB-CB 3.92Å; M26-A54 HydrophobicContact CE-CB 4.3Å; M26-A54 HydrophobicContact CG-CB 3.62Å; M26-A54 HydrophobicContact SD-CB 3.62Å
27V98.4Very high95.9Very high14 Ų1459 Ų599%0.08530%0.301CS..Hα-helixtrans-58.9-47.1173.5166.70000110.5Y23 E24 E25 F29 M30 E31 A54 Y55 V58Y23-V27 WeakPolarHBondContact O-CG2 3.46Å; Y23-V27 PolarHBondContact O-N 3.22Å; E24-V27 PolarHBondContact O-N 3.37Å; E25-V27 VanDerWaalsContact C-N 3.3Å; E25-V27 PolarHBondContact O-N 2.97Å; V27-F29 PolarHBondContact O-N 2.95Å; V27-M30 PolarHBondContact O-N 3.01Å; V27-E31 HydrophobicContact CG1-CG 4.14Å; V27-E31 WeakPolarHBondContact O-CB 3.42Å; V27-E31 WeakPolarHBondContact O-CG 3.45Å; V27-E31 PolarHBondContact O-N 3.11Å; V27-A54 HydrophobicContact CG2-CB 3.74Å; V27-Y55 HydrophobicContact CG1-CD1 4.27Å; V27-Y55 HydrophobicContact CG1-CD2 4.49Å; V27-Y55 HydrophobicContact CG1-CE1 3.67Å; V27-Y55 HydrophobicContact CG1-CE2 3.92Å; V27-Y55 HydrophobicContact CG2-CD1 4.04Å; V27-Y55 HydrophobicContact CG2-CD2 4.04Å; V27-Y55 HydrophobicContact CG2-CE1 4.28Å; V27-Y55 HydrophobicContact CG2-CE2 4.28Å; V27-Y55 HydrophobicContact CG2-CG 3.93Å; V27-V58 HydrophobicContact CG2-CG2 3.95Å
28Q97.5Very high94.7Very high115 Ų11564.9 Ų64.954%0.53734%0.337SS..Hα-helixtrans-59.4-45.8178.6-67.8170.914.600112E24 E25 M30 E31 Q32E24-Q28 WeakPolarHBondContact O-CG 3.34Å; E24-Q28 PolarHBondContact O-N 3.33Å; E25-Q28 WeakPolarHBondContact O-CB 3.5Å; E25-Q28 PolarHBondContact O-N 2.75Å; E25-Q28 VanDerWaalsContact O-N 3.1Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-M30 PolarHBondContact O-N 3.22Å; Q28-E31 PolarHBondContact O-N 3.25Å; Q28-Q32 VanDerWaalsContact O-CG 3.27Å; Q28-Q32 WeakPolarHBondContact O-CG 3.4Å; Q28-Q32 PolarHBondContact O-N 2.96Å
29F97.6Very high94Very high34 Ų3466.7 Ų66.715%0.14935%0.354CS..Hα-helixtrans-62.1-41.8177.5-63.6-50.1000112.1Y10 M13 A14 A17 E25 M26 V27 Q32 L33Y10-F29 HydrophobicContact CD1-CB 4.27Å; Y10-F29 HydrophobicContact CD1-CD1 4.11Å; Y10-F29 HydrophobicContact CE1-CD1 4.43Å; M13-F29 HydrophobicContact CB-CB 4.48Å; M13-F29 HydrophobicContact CB-CD1 3.82Å; M13-F29 HydrophobicContact CB-CD2 3.78Å; M13-F29 HydrophobicContact CB-CE1 3.93Å; M13-F29 HydrophobicContact CB-CE2 3.9Å; M13-F29 HydrophobicContact CB-CG 3.76Å; M13-F29 HydrophobicContact CB-CZ 3.98Å; M13-F29 HydrophobicContact CE-CE1 4.01Å; M13-F29 HydrophobicContact CE-CE2 4.03Å; M13-F29 HydrophobicContact CE-CZ 3.48Å; M13-F29 VanDerWaalsContact CE-CZ 3.48Å; M13-F29 HydrophobicContact CG-CD1 4.49Å; M13-F29 HydrophobicContact CG-CE1 4.3Å; M13-F29 HydrophobicContact CG-CZ 4.48Å; A14-F29 HydrophobicContact CB-CB 4.34Å; A17-F29 HydrophobicContact CB-CD2 4.16Å; A17-F29 HydrophobicContact CB-CE2 4.12Å; E25-F29 HydrophobicContact CB-CE2 3.97Å; E25-F29 WeakPolarHBondContact O-CD2 3.4Å; E25-F29 WeakPolarHBondContact O-CG 3.35Å; E25-F29 PolarHBondContact O-N 2.89Å; M26-F29 PolarHBondContact O-N 3.19Å; V27-F29 PolarHBondContact O-N 2.95Å; F29-Q32 PolarHBondContact O-N 3.06Å; F29-L33 WeakPolarHBondContact O-CB 3.42Å; F29-L33 PolarHBondContact O-N 3.21Å
30M97.5Very high93.2Very high0 Ų061.5 Ų61.50%034%0.338CS..Hα-helixtrans-72.8-35.1179.9-66-53.9-56.600112.8A14 M26 V27 Q28 L33 V34 E47 L50 L51A14-M30 HydrophobicContact CB-CG 4.04Å; A14-M30 HydrophobicContact CB-SD 3.53Å; A14-M30 VanDerWaalsContact CB-SD 3.53Å; M26-M30 VanDerWaalsContact O-CG 3.31Å; M26-M30 WeakPolarHBondContact O-CG 3.36Å; M26-M30 PolarHBondContact O-N 2.83Å; V27-M30 PolarHBondContact O-N 3.01Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-M30 PolarHBondContact O-N 3.22Å; M30-L33 HydrophobicContact CE-CD1 4.15Å; M30-L33 HydrophobicContact CE-CD2 4.49Å; M30-L33 WeakPolarHBondContact O-CB 3.4Å; M30-L33 PolarHBondContact O-N 3.11Å; M30-L33 HydrophobicContact SD-CD1 4.37Å; M30-V34 VanDerWaalsContact O-CG2 3.29Å; M30-V34 WeakPolarHBondContact O-CG2 3.45Å; M30-V34 PolarHBondContact O-N 3.29Å; M30-E47 HydrophobicContact CE-CB 4.27Å; M30-E47 WeakPolarHBondContact CE-O 3.38Å; M30-L50 HydrophobicContact CE-CB 4.07Å; M30-L50 HydrophobicContact SD-CB 3.9Å; M30-L51 HydrophobicContact CB-CB 4.48Å; M30-L51 HydrophobicContact CB-CD1 3.61Å; M30-L51 HydrophobicContact CE-CB 4.03Å
31E96.4Very high92.8Very high61 Ų6163.7 Ų63.729%0.28534%0.338SS..Hα-helixtrans-62.5-43.5171.7-77.2-178.8172.400111.2V27 Q28 V34 T35 Y55 L109V27-E31 HydrophobicContact CG1-CG 4.14Å; V27-E31 WeakPolarHBondContact O-CB 3.42Å; V27-E31 WeakPolarHBondContact O-CG 3.45Å; V27-E31 PolarHBondContact O-N 3.11Å; Q28-E31 PolarHBondContact O-N 3.25Å; E31-V34 PolarHBondContact O-N 3.29Å; E31-T35 WeakPolarHBondContact O-CB 3.48Å; E31-T35 WeakPolarHBondContact O-CG2 3.21Å; E31-T35 PolarHBondContact O-N 3.4Å; E31-T35 PolarHBondContact O-OG1 3.35Å; E31-Y55 VanDerWaalsContact CD-OH 3.28Å; E31-Y55 WeakPolarHBondContact CG-OH 3.41Å; E31-Y55 PolarHBondContact OE1-OH 2.87Å; E31-L109 HydrophobicContact CG-CD2 4.34Å
32Q95.3Very high92.6Very high93 Ų9360.1 Ų60.144%0.43532%0.321SS..Hα-helixtrans-66.5-36.3175.9-66.9-60.4-48.900112.2Y10 Q28 F29 G36Y10-Q32 HydrophobicContact CD1-CB 4.09Å; Y10-Q32 HydrophobicContact CE1-CB 3.48Å; Y10-Q32 VanDerWaalsContact CE1-CB 3.48Å; Y10-Q32 HydrophobicContact CE1-CG 4.18Å; Y10-Q32 HydrophobicContact CE2-CB 3.97Å; Y10-Q32 VanDerWaalsContact CZ-CB 3.42Å; Q28-Q32 VanDerWaalsContact O-CG 3.27Å; Q28-Q32 WeakPolarHBondContact O-CG 3.4Å; Q28-Q32 PolarHBondContact O-N 2.96Å; F29-Q32 PolarHBondContact O-N 3.06Å; Q32-G36 WeakPolarHBondContact O-CA 3.34Å; Q32-G36 PolarHBondContact O-N 3.04Å
33L95.3Very high92.6Very high5 Ų554.2 Ų54.23%0.02630%0.299CS..Hα-helixtrans-59.8-49.7173.2-175.9154.8000111.2R7 Y10 V11 F29 M30 L43 E47R7-L33 HydrophobicContact CG-CD1 4.26Å; R7-L33 HydrophobicContact CG-CG 4.17Å; Y10-L33 HydrophobicContact CD2-CB 4.33Å; Y10-L33 HydrophobicContact CG-CB 4.28Å; V11-L33 HydrophobicContact CG2-CD1 3.46Å; V11-L33 VanDerWaalsContact CG2-CD1 3.46Å; F29-L33 WeakPolarHBondContact O-CB 3.42Å; F29-L33 PolarHBondContact O-N 3.21Å; M30-L33 HydrophobicContact CE-CD1 4.15Å; M30-L33 HydrophobicContact CE-CD2 4.49Å; M30-L33 WeakPolarHBondContact O-CB 3.4Å; M30-L33 PolarHBondContact O-N 3.11Å; M30-L33 HydrophobicContact SD-CD1 4.37Å; L33-L43 HydrophobicContact CD2-CD2 3.49Å; L33-L43 VanDerWaalsContact CD2-CD2 3.49Å; L33-E47 HydrophobicContact CD1-CG 4.25Å
34V95.5Very high92.5Very high7 Ų755.6 Ų55.64%0.04231%0.313CS..Hα-helixtrans-69.2-41.2-176.5175.50000111.7M30 E31 L43 L109 H113 L114M30-V34 VanDerWaalsContact O-CG2 3.29Å; M30-V34 WeakPolarHBondContact O-CG2 3.45Å; M30-V34 PolarHBondContact O-N 3.29Å; E31-V34 PolarHBondContact O-N 3.29Å; V34-L43 HydrophobicContact CG2-CD1 3.98Å; V34-L43 HydrophobicContact CG2-CD2 4.15Å; V34-L109 HydrophobicContact CB-CD1 3.93Å; V34-L109 HydrophobicContact CB-CD2 4.18Å; V34-L109 HydrophobicContact CB-CG 4.34Å; V34-L109 HydrophobicContact CG1-CD1 3.46Å; V34-L109 VanDerWaalsContact CG1-CD1 3.46Å; V34-L109 HydrophobicContact CG1-CD2 4.17Å; V34-L109 HydrophobicContact CG1-CG 3.82Å; V34-L109 HydrophobicContact CG2-CD2 4.22Å; V34-H113 HydrophobicContact CG1-CB 3.55Å; V34-L114 HydrophobicContact CG1-CD2 3.75Å; V34-L114 HydrophobicContact CG1-CG 4.17Å; V34-L114 HydrophobicContact CG2-CD2 3.89Å
35T93.5Very high92.3Very high57 Ų5754.5 Ų54.535%0.3531%0.313SS..Hα-helixtrans-84.6-19.7-176.957.60000113.8E31 L109E31-T35 WeakPolarHBondContact O-CB 3.48Å; E31-T35 WeakPolarHBondContact O-CG2 3.21Å; E31-T35 PolarHBondContact O-N 3.4Å; E31-T35 PolarHBondContact O-OG1 3.35Å; T35-L109 HydrophobicContact CG2-CD1 3.74Å
36G89.1Confident92.2Very high50 Ų5056.1 Ų56.152%0.51532%0.321SS..Hα-helixtrans-78.9-15.4177.400000114.5Q32Q32-G36 WeakPolarHBondContact O-CA 3.34Å; Q32-G36 PolarHBondContact O-N 3.04Å
37A78.4Confident92.2Very high17 Ų1756.5 Ų56.514%0.1432%0.323CS..  trans-82.6113.2175.800000110.6P39 A40A37-P39 CarbonylContact C-O 3.52Å; A37-P39 VanDerWaalsContact C-O 3.25Å; A37-P39 CarbonylContact O-C 3.34Å; A37-A40 PolarHBondContact O-N 3.3Å
38T74.6Confident92.2Very high128 Ų12856.3 Ų56.379%0.78532%0.321SS*.SBendtrans-127.2114.3173.354.10000110.4
39P82.1Confident92.1Very high106 Ų10654.2 Ų54.269%0.68831%0.313SS*.SBendcis-67.3163.70.731.3-35.9000112.8A37 E41A37-P39 CarbonylContact C-O 3.52Å; A37-P39 VanDerWaalsContact C-O 3.25Å; A37-P39 CarbonylContact O-C 3.34Å; P39-E41 PolarHBondContact O-N 2.97Å
40A81.5Confident92.1Very high48 Ų4853.1 Ų53.140%0.39731%0.308SS..  trans-58.8125.8174.600000109.7A37A37-A40 PolarHBondContact O-N 3.3Å
41E88.2Confident92.2Very high110 Ų11053.1 Ų53.151%0.51431%0.308SS..  trans-107.6145.5180-73.5175.8-177.800109.9R7 P39 L43R7-E41 IonicContact CZ-OE2 3.02Å; R7-E41 IonicContact NH1-OE2 3.44Å; R7-E41 PolarHBondContact NH1-OE2 2.64Å; P39-E41 PolarHBondContact O-N 2.97Å; E41-L43 PolarHBondContact O-N 2.71Å
42E94.5Very high92.2Very high68 Ų6851.7 Ų51.732%0.31831%0.305SS..PPolyproline II helixtrans-59133.9172.1-168163.5-175.400109.8R7 S117 G119 A120 S123R7-E42 PolarHBondContact NH2-O 2.96Å; E42-S117 WeakPolarHBondContact CB-O 3.48Å; E42-G119 VanDerWaalsContact CD-N 3.33Å; E42-G119 PolarHBondContact OE1-N 2.86Å; E42-G119 WeakPolarHBondContact OE2-CA 3.39Å; E42-G119 PolarHBondContact OE2-N 2.92Å; E42-A120 PolarHBondContact OE1-N 3.02Å; E42-S123 WeakPolarHBondContact OE1-CB 3.37Å; E42-S123 PolarHBondContact OE1-OG 3.15Å
43L96.4Very high92.3Very high9 Ų949.4 Ų49.45%0.04730%0.297CS..PPolyproline II helixtrans-70.4141.3172.9-62.9-171.9000109.9L33 V34 E41 E47 R48 L51 L114 Y127L33-L43 HydrophobicContact CD2-CD2 3.49Å; L33-L43 VanDerWaalsContact CD2-CD2 3.49Å; V34-L43 HydrophobicContact CG2-CD1 3.98Å; V34-L43 HydrophobicContact CG2-CD2 4.15Å; E41-L43 PolarHBondContact O-N 2.71Å; L43-E47 HydrophobicContact CB-CB 3.97Å; L43-E47 HydrophobicContact CD1-CB 4.33Å; L43-E47 HydrophobicContact CD2-CB 4.17Å; L43-E47 HydrophobicContact CG-CB 4.39Å; L43-R48 HydrophobicContact CB-CB 4.32Å; L43-L51 HydrophobicContact CD1-CD2 4.18Å; L43-L114 HydrophobicContact CD1-CD2 3.64Å; L43-L114 HydrophobicContact CG-CD2 3.97Å; L43-Y127 WeakPolarHBondContact CB-OH 3.45Å
44T96.1Very high92.5Very high76 Ų7649.1 Ų49.147%0.46630%0.296SS..PPolyproline II helixtrans-62.3161.4164.563.40000110.2E46 E47 R48T44-E46 PolarHBondContact O-N 2.74Å; T44-E47 WeakPolarHBondContact CB-OE2 3.4Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.47Å; T44-E47 PolarHBondContact N-OE2 3.31Å; T44-E47 PolarHBondContact O-N 3.38Å; T44-E47 VanDerWaalsContact OG1-CD 3.25Å; T44-E47 VanDerWaalsContact OG1-CG 3.27Å; T44-E47 WeakPolarHBondContact OG1-CG 3.42Å; T44-E47 PolarHBondContact OG1-N 3.29Å; T44-E47 PolarHBondContact OG1-OE2 2.95Å; T44-R48 WeakPolarHBondContact O-CB 3.45Å; T44-R48 PolarHBondContact O-N 3.13Å
45V94.7Very high92.6Very high82 Ų8248.9 Ų48.950%0.49730%0.295SS..Hα-helixtrans-56.2-39.1176.5174.90000111.4N49V45-N49 WeakPolarHBondContact O-CB 3.48Å; V45-N49 PolarHBondContact O-N 3.22Å; V45-N49 PolarHBondContact O-ND2 2.64Å; V45-N49 PolarHBondContact O-OD1 3.4Å
46E96.4Very high92.8Very high99 Ų9953 Ų5346%0.46331%0.308SS..Hα-helixtrans-63.3-50.4177.1-179171.4-127.100111.8K15 T44 R48 N49 L50K15-E46 VanDerWaalsContact CE-CD 3.48Å; K15-E46 WeakPolarHBondContact CE-OE1 3.39Å; K15-E46 IonicContact NZ-OE1 2.66Å; K15-E46 PolarHBondContact NZ-OE1 3.49Å; K15-E46 IonicContact NZ-OE2 2.87Å; K15-E46 PolarHBondContact NZ-OE2 3.36Å; T44-E46 PolarHBondContact O-N 2.74Å; E46-R48 PolarHBondContact O-N 3.37Å; E46-N49 PolarHBondContact O-N 2.86Å; E46-L50 HydrophobicContact CG-CD1 4.17Å; E46-L50 WeakPolarHBondContact O-CG 3.07Å; E46-L50 PolarHBondContact O-N 3.45Å
47E97.4Very high93.2Very high8 Ų853.4 Ų53.44%0.03730%0.298CS..Hα-helixtrans-62.9-42.1179.7-70.7163.4145.500112R7 V11 M30 L33 L43 T44 N49 L50 L51R7-E47 IonicContact CZ-OE1 3.66Å; R7-E47 IonicContact CZ-OE2 3.38Å; R7-E47 IonicContact NE-OE1 3.17Å; R7-E47 PolarHBondContact NE-OE1 2.92Å; R7-E47 IonicContact NE-OE2 2.69Å; R7-E47 VanDerWaalsContact NH2-CD 3.34Å; R7-E47 IonicContact NH2-OE1 3.27Å; R7-E47 PolarHBondContact NH2-OE1 2.85Å; R7-E47 IonicContact NH2-OE2 2.73Å; R7-E47 PolarHBondContact NH2-OE2 3.18Å; V11-E47 HydrophobicContact CG2-CG 3.75Å; M30-E47 HydrophobicContact CE-CB 4.27Å; M30-E47 WeakPolarHBondContact CE-O 3.38Å; L33-E47 HydrophobicContact CD1-CG 4.25Å; L43-E47 HydrophobicContact CB-CB 3.97Å; L43-E47 HydrophobicContact CD1-CB 4.33Å; L43-E47 HydrophobicContact CD2-CB 4.17Å; L43-E47 HydrophobicContact CG-CB 4.39Å; T44-E47 WeakPolarHBondContact CB-OE2 3.4Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.47Å; T44-E47 PolarHBondContact N-OE2 3.31Å; T44-E47 PolarHBondContact O-N 3.38Å; T44-E47 VanDerWaalsContact OG1-CD 3.25Å; T44-E47 VanDerWaalsContact OG1-CG 3.27Å; T44-E47 WeakPolarHBondContact OG1-CG 3.42Å; T44-E47 PolarHBondContact OG1-N 3.29Å; T44-E47 PolarHBondContact OG1-OE2 2.95Å; E47-N49 VanDerWaalsContact C-N 3.3Å; E47-N49 PolarHBondContact O-N 3Å; E47-L50 PolarHBondContact O-N 2.85Å; E47-L51 WeakPolarHBondContact O-CB 3.38Å; E47-L51 PolarHBondContact O-N 3.28Å
48R97.4Very high94.2Very high10 Ų1053.1 Ų53.14%0.03829%0.294CS..Hα-helixtrans-59-42.9174.4-178.4-169.675.3-171.60.1111.4L43 T44 E46 S52 E122 F126 Y127L43-R48 HydrophobicContact CB-CB 4.32Å; T44-R48 WeakPolarHBondContact O-CB 3.45Å; T44-R48 PolarHBondContact O-N 3.13Å; E46-R48 PolarHBondContact O-N 3.37Å; R48-S52 WeakPolarHBondContact O-CB 3.32Å; R48-S52 PolarHBondContact O-N 3.24Å; R48-E122 IonicContact CZ-OE1 3.65Å; R48-E122 VanDerWaalsContact CZ-OE1 3.27Å; R48-E122 IonicContact NH1-OE1 3.76Å; R48-E122 PolarHBondContact NH1-OE1 3.16Å; R48-E122 IonicContact NH2-OE1 2.93Å; R48-E122 PolarHBondContact NH2-OE1 3.43Å; R48-F126 VanDerWaalsContact CD-CD1 3.49Å; R48-F126 HydrophobicContact CG-CD1 3.57Å; R48-F126 HydrophobicContact CG-CD2 4.47Å; R48-F126 HydrophobicContact CG-CE1 3.34Å; R48-F126 HydrophobicContact CG-CE2 4.28Å; R48-F126 HydrophobicContact CG-CG 4.14Å; R48-F126 HydrophobicContact CG-CZ 3.71Å; R48-Y127 HydrophobicContact CG-CE1 3.88Å
49N96Very high95.3Very high71 Ų7147.2 Ų47.238%0.3826%0.258SS..Hα-helixtrans-68.3-42.7178.9-71-9.9000111.4V45 E46 E47 L51 S52 V53V45-N49 WeakPolarHBondContact O-CB 3.48Å; V45-N49 PolarHBondContact O-N 3.22Å; V45-N49 PolarHBondContact O-ND2 2.64Å; V45-N49 PolarHBondContact O-OD1 3.4Å; E46-N49 PolarHBondContact O-N 2.86Å; E47-N49 VanDerWaalsContact C-N 3.3Å; E47-N49 PolarHBondContact O-N 3Å; N49-L51 PolarHBondContact O-N 3.01Å; N49-S52 WeakPolarHBondContact O-CB 3.45Å; N49-S52 PolarHBondContact O-N 3.02Å; N49-V53 WeakPolarHBondContact O-CG2 3.48Å; N49-V53 PolarHBondContact O-N 2.99Å
50L98.3Very high96Very high10 Ų1043.8 Ų43.85%0.05224%0.242CC..Hα-helixtrans-59.2-46.6174.8-72.1169.8000111.6V11 K15 E18 M26 M30 E46 E47 S52 V53 A54V11-L50 HydrophobicContact CG1-CD1 3.89Å; K15-L50 HydrophobicContact CG-CD1 4.16Å; K15-L50 HydrophobicContact CG-CD2 4.04Å; E18-L50 WeakPolarHBondContact OE2-CD2 3.45Å; M26-L50 HydrophobicContact CE-CB 3.93Å; M26-L50 HydrophobicContact CE-CD2 3.5Å; M26-L50 HydrophobicContact CE-CG 4.33Å; M26-L50 VanDerWaalsContact CE-O 3.28Å; M26-L50 WeakPolarHBondContact CE-O 3.49Å; M30-L50 HydrophobicContact CE-CB 4.07Å; M30-L50 HydrophobicContact SD-CB 3.9Å; E46-L50 HydrophobicContact CG-CD1 4.17Å; E46-L50 WeakPolarHBondContact O-CG 3.07Å; E46-L50 PolarHBondContact O-N 3.45Å; E47-L50 PolarHBondContact O-N 2.85Å; L50-S52 VanDerWaalsContact C-N 3.29Å; L50-S52 PolarHBondContact O-N 3.02Å; L50-V53 PolarHBondContact O-N 3.02Å; L50-A54 WeakPolarHBondContact O-CB 3.49Å; L50-A54 PolarHBondContact O-N 3.34Å
51L98.3Very high96.7Very high0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-56.2-46.3175-177.975.5000111M30 L43 E47 N49 A54 Y55 I106 L109 L114M30-L51 HydrophobicContact CB-CB 4.48Å; M30-L51 HydrophobicContact CB-CD1 3.61Å; M30-L51 HydrophobicContact CE-CB 4.03Å; L43-L51 HydrophobicContact CD1-CD2 4.18Å; E47-L51 WeakPolarHBondContact O-CB 3.38Å; E47-L51 PolarHBondContact O-N 3.28Å; N49-L51 PolarHBondContact O-N 3.01Å; L51-A54 PolarHBondContact O-N 3.03Å; L51-Y55 HydrophobicContact CD1-CD2 3.92Å; L51-Y55 HydrophobicContact CD1-CE2 3.58Å; L51-Y55 HydrophobicContact CG-CD2 4.23Å; L51-Y55 HydrophobicContact CG-CE2 4.32Å; L51-Y55 WeakPolarHBondContact O-CD2 3.46Å; L51-Y55 PolarHBondContact O-N 3.43Å; L51-Y55 VanDerWaalsContact O-N 3.16Å; L51-I106 HydrophobicContact CD2-CD1 4.45Å; L51-L109 HydrophobicContact CD1-CD2 4.13Å; L51-L114 HydrophobicContact CD2-CD1 3.52Å; L51-L114 HydrophobicContact CD2-CD2 4.26Å
52S97.4Very high97.2Very high31 Ų3141.1 Ų41.122%0.21723%0.23CC..Hα-helixtrans-64-45.4179.5-173.80000112.8R48 N49 L50 A54 K56 M130R48-S52 WeakPolarHBondContact O-CB 3.32Å; R48-S52 PolarHBondContact O-N 3.24Å; N49-S52 WeakPolarHBondContact O-CB 3.45Å; N49-S52 PolarHBondContact O-N 3.02Å; L50-S52 VanDerWaalsContact C-N 3.29Å; L50-S52 PolarHBondContact O-N 3.02Å; S52-A54 VanDerWaalsContact C-N 3.34Å; S52-A54 PolarHBondContact O-N 3.23Å; S52-K56 WeakPolarHBondContact O-CB 3.42Å; S52-K56 PolarHBondContact O-N 3.39Å; S52-M130 WeakPolarHBondContact OG-CE 3.42Å
53V97.8Very high97.4Very high45 Ų4539.3 Ų39.327%0.27322%0.221SC..Hα-helixtrans-60.2-45176.4169.40000110.7E18 Y23 M26 N49 L50 N57E18-V53 HydrophobicContact CG-CG1 4.42Å; Y23-V53 HydrophobicContact CE1-CG1 4.43Å; M26-V53 HydrophobicContact CE-CB 4.34Å; M26-V53 HydrophobicContact CE-CG1 4.25Å; M26-V53 HydrophobicContact SD-CG1 4.37Å; N49-V53 WeakPolarHBondContact O-CG2 3.48Å; N49-V53 PolarHBondContact O-N 2.99Å; L50-V53 PolarHBondContact O-N 3.02Å; V53-N57 PolarHBondContact O-N 2.87Å; V53-N57 VanDerWaalsContact O-N 3.15Å; V53-N57 PolarHBondContact O-ND2 3.38Å
54A98.3Very high97.5Very high0 Ų041 Ų410%024%0.236CC..Hα-helixtrans-56.4-60179.700000111.2M26 V27 L50 L51 S52 K56 N57 V58M26-A54 HydrophobicContact CB-CB 3.92Å; M26-A54 HydrophobicContact CE-CB 4.3Å; M26-A54 HydrophobicContact CG-CB 3.62Å; M26-A54 HydrophobicContact SD-CB 3.62Å; V27-A54 HydrophobicContact CG2-CB 3.74Å; L50-A54 WeakPolarHBondContact O-CB 3.49Å; L50-A54 PolarHBondContact O-N 3.34Å; L51-A54 PolarHBondContact O-N 3.03Å; S52-A54 VanDerWaalsContact C-N 3.34Å; S52-A54 PolarHBondContact O-N 3.23Å; A54-K56 PolarHBondContact O-N 2.88Å; A54-N57 PolarHBondContact O-N 3.27Å; A54-V58 WeakPolarHBondContact O-CG2 3.25Å; A54-V58 PolarHBondContact O-N 3.43Å
55Y98.6Very high97.6Very high2 Ų239.1 Ų39.11%0.00823%0.228CC..Hα-helixtrans-69.4-35.2-176.8-78.5-87.3000112.9V27 E31 L51 N57 V58 I59 V102 I106 Y134V27-Y55 HydrophobicContact CG1-CD1 4.27Å; V27-Y55 HydrophobicContact CG1-CD2 4.49Å; V27-Y55 HydrophobicContact CG1-CE1 3.67Å; V27-Y55 HydrophobicContact CG1-CE2 3.92Å; V27-Y55 HydrophobicContact CG2-CD1 4.04Å; V27-Y55 HydrophobicContact CG2-CD2 4.04Å; V27-Y55 HydrophobicContact CG2-CE1 4.28Å; V27-Y55 HydrophobicContact CG2-CE2 4.28Å; V27-Y55 HydrophobicContact CG2-CG 3.93Å; E31-Y55 VanDerWaalsContact CD-OH 3.28Å; E31-Y55 WeakPolarHBondContact CG-OH 3.41Å; E31-Y55 PolarHBondContact OE1-OH 2.87Å; L51-Y55 HydrophobicContact CD1-CD2 3.92Å; L51-Y55 HydrophobicContact CD1-CE2 3.58Å; L51-Y55 HydrophobicContact CG-CD2 4.23Å; L51-Y55 HydrophobicContact CG-CE2 4.32Å; L51-Y55 WeakPolarHBondContact O-CD2 3.46Å; L51-Y55 PolarHBondContact O-N 3.43Å; L51-Y55 VanDerWaalsContact O-N 3.16Å; Y55-N57 VanDerWaalsContact C-N 3.29Å; Y55-N57 PolarHBondContact O-N 2.93Å; Y55-V58 PolarHBondContact O-N 2.73Å; Y55-I59 WeakPolarHBondContact O-CB 3.49Å; Y55-I59 VanDerWaalsContact O-CG2 3.23Å; Y55-I59 WeakPolarHBondContact O-CG2 3.38Å; Y55-I59 PolarHBondContact O-N 2.86Å; Y55-V102 HydrophobicContact CD1-CG1 3.94Å; Y55-V102 HydrophobicContact CE1-CG1 4.36Å; Y55-I106 HydrophobicContact CD1-CB 3.92Å; Y55-I106 HydrophobicContact CD1-CG1 4.44Å; Y55-I106 HydrophobicContact CD1-CG2 4.41Å; Y55-I106 HydrophobicContact CD2-CD1 3.98Å; Y55-I106 HydrophobicContact CD2-CG1 4.42Å; Y55-I106 HydrophobicContact CE1-CB 3.64Å; Y55-I106 HydrophobicContact CE1-CG1 4.42Å; Y55-I106 HydrophobicContact CE1-CG2 4.41Å; Y55-I106 HydrophobicContact CE2-CB 4.38Å; Y55-I106 HydrophobicContact CE2-CD1 3.71Å; Y55-I106 HydrophobicContact CE2-CG1 4.38Å; Y55-I106 HydrophobicContact CG-CB 4.39Å; Y55-I106 HydrophobicContact CG-CD1 4.47Å; Y55-I106 HydrophobicContact CG-CG1 4.42Å; Y55-Y134 WeakPolarHBondContact CB-OH 3.44Å
56K97.2Very high97.8Very high144 Ų14436.8 Ų36.863%0.62621%0.211SC*.Hα-helixtrans-59.6-39.8178.3-178.9-177.9175.8-173.20111.8S52 A54 G60S52-K56 WeakPolarHBondContact O-CB 3.42Å; S52-K56 PolarHBondContact O-N 3.39Å; A54-K56 PolarHBondContact O-N 2.88Å; K56-G60 WeakPolarHBondContact O-CA 3.4Å; K56-G60 PolarHBondContact O-N 3.1Å
57N97.7Very high97.8Very high58 Ų5837 Ų3731%0.3121%0.207SC..Hα-helixtrans-72.2-46.6178.7-79.1-72.5000111.9Y23 V53 A54 Y55 G60 S61Y23-N57 HydrophobicContact CD1-CB 3.63Å; Y23-N57 HydrophobicContact CD2-CB 3.42Å; Y23-N57 VanDerWaalsContact CD2-CB 3.42Å; Y23-N57 HydrophobicContact CE1-CB 3.91Å; Y23-N57 WeakPolarHBondContact CE1-ND2 3.5Å; Y23-N57 HydrophobicContact CE2-CB 3.68Å; Y23-N57 HydrophobicContact CG-CB 3.36Å; Y23-N57 VanDerWaalsContact CZ-CG 3.49Å; V53-N57 PolarHBondContact O-N 2.87Å; V53-N57 VanDerWaalsContact O-N 3.15Å; V53-N57 PolarHBondContact O-ND2 3.38Å; A54-N57 PolarHBondContact O-N 3.27Å; Y55-N57 VanDerWaalsContact C-N 3.29Å; Y55-N57 PolarHBondContact O-N 2.93Å; N57-G60 PolarHBondContact O-N 3.4Å; N57-S61 PolarHBondContact O-N 2.98Å
58V98.5Very high97.8Very high11 Ų1141.6 Ų41.67%0.06723%0.231CC..Hα-helixtrans-58.6-53177.4176.30000110.8E24 V27 A54 Y55 G60 S61 L62 V102E24-V58 HydrophobicContact CG-CG2 4.2Å; V27-V58 HydrophobicContact CG2-CG2 3.95Å; A54-V58 WeakPolarHBondContact O-CG2 3.25Å; A54-V58 PolarHBondContact O-N 3.43Å; Y55-V58 PolarHBondContact O-N 2.73Å; V58-G60 VanDerWaalsContact C-N 3.3Å; V58-G60 PolarHBondContact O-N 3.29Å; V58-S61 PolarHBondContact O-N 3.14Å; V58-L62 HydrophobicContact CG1-CD1 4.19Å; V58-L62 WeakPolarHBondContact O-CG 3.4Å; V58-L62 PolarHBondContact O-N 3.3Å; V58-L62 VanDerWaalsContact O-N 3.16Å; V58-V102 HydrophobicContact CG1-CG1 4.27Å; V58-V102 HydrophobicContact CG1-CG2 3.95Å
59I98.1Very high97.9Very high3 Ų341.7 Ų41.72%0.01523%0.233CC..Hα-helixtrans-68.2-32-178.6-157.373.2000111.9Y55 L62 R63 L99 V102 Y134 Y137Y55-I59 WeakPolarHBondContact O-CB 3.49Å; Y55-I59 VanDerWaalsContact O-CG2 3.23Å; Y55-I59 WeakPolarHBondContact O-CG2 3.38Å; Y55-I59 PolarHBondContact O-N 2.86Å; I59-L62 PolarHBondContact O-N 2.88Å; I59-R63 HydrophobicContact CG1-CG 4.37Å; I59-R63 WeakPolarHBondContact O-CB 3.35Å; I59-R63 VanDerWaalsContact O-CG 3.25Å; I59-R63 WeakPolarHBondContact O-CG 3.38Å; I59-R63 PolarHBondContact O-N 2.92Å; I59-L99 HydrophobicContact CD1-CD2 3.58Å; I59-L99 HydrophobicContact CG1-CD2 4.23Å; I59-V102 HydrophobicContact CB-CG1 4.46Å; I59-V102 HydrophobicContact CD1-CB 4.03Å; I59-V102 HydrophobicContact CD1-CG1 3.81Å; I59-Y134 HydrophobicContact CB-CE1 4.01Å; I59-Y134 HydrophobicContact CD1-CE1 4.3Å; I59-Y134 HydrophobicContact CG1-CD1 4.46Å; I59-Y134 HydrophobicContact CG1-CE1 3.96Å; I59-Y134 HydrophobicContact CG2-CE1 4.01Å; I59-Y137 HydrophobicContact CG1-CD2 3.79Å; I59-Y137 HydrophobicContact CG1-CE2 4.27Å; I59-Y137 HydrophobicContact CG2-CD2 4.31Å; I59-Y137 HydrophobicContact CG2-CE2 3.93Å
60G96.7Very high98Very high34 Ų3439.2 Ų39.235%0.35122%0.221SC..Hα-helixtrans-62-47.2176.400000112.1K56 N57 V58 R63 A64K56-G60 WeakPolarHBondContact O-CA 3.4Å; K56-G60 PolarHBondContact O-N 3.1Å; N57-G60 PolarHBondContact O-N 3.4Å; V58-G60 VanDerWaalsContact C-N 3.3Å; V58-G60 PolarHBondContact O-N 3.29Å; G60-R63 PolarHBondContact O-N 3.05Å; G60-A64 WeakPolarHBondContact O-CB 3.11Å; G60-A64 PolarHBondContact O-N 3.31Å
61S97.6Very high97.9Very high78 Ų7840.9 Ų40.955%0.54523%0.233SC..Hα-helixtrans-60.4-49176.1-176.80000111.6N57 V58 R63 A64 A65N57-S61 PolarHBondContact O-N 2.98Å; V58-S61 PolarHBondContact O-N 3.14Å; S61-R63 PolarHBondContact O-N 3.19Å; S61-A64 PolarHBondContact O-N 3.48Å; S61-A65 PolarHBondContact O-N 3.27Å
62L98.3Very high97.9Very high24 Ų2444.2 Ų44.213%0.12625%0.25CS..Hα-helixtrans-62.8-41.5179.3-70.8172000112.6V58 I59 A65 W66 E98 L99 V102V58-L62 HydrophobicContact CG1-CD1 4.19Å; V58-L62 WeakPolarHBondContact O-CG 3.4Å; V58-L62 PolarHBondContact O-N 3.3Å; V58-L62 VanDerWaalsContact O-N 3.16Å; I59-L62 PolarHBondContact O-N 2.88Å; L62-A65 PolarHBondContact O-N 3.27Å; L62-W66 WeakPolarHBondContact O-CB 3.44Å; L62-W66 PolarHBondContact O-N 3.49Å; L62-E98 HydrophobicContact CD1-CB 4.32Å; L62-E98 HydrophobicContact CD2-CB 3.93Å; L62-E98 WeakPolarHBondContact CD2-OE2 3.09Å; L62-L99 HydrophobicContact CB-CD2 3.44Å; L62-L99 VanDerWaalsContact CB-CD2 3.44Å; L62-L99 HydrophobicContact CB-CG 3.91Å; L62-L99 HydrophobicContact CD1-CD2 4.41Å; L62-V102 HydrophobicContact CD1-CB 4.48Å; L62-V102 HydrophobicContact CD1-CG2 3.78Å
63R98.2Very high97.9Very high30 Ų3043.5 Ų43.511%0.11324%0.244CC..Hα-helixtrans-65.8-38.9176.8-74.5177.471.1-143.412.3111.8I59 G60 S61 W66 R67 L99 Y137 E140I59-R63 HydrophobicContact CG1-CG 4.37Å; I59-R63 WeakPolarHBondContact O-CB 3.35Å; I59-R63 VanDerWaalsContact O-CG 3.25Å; I59-R63 WeakPolarHBondContact O-CG 3.38Å; I59-R63 PolarHBondContact O-N 2.92Å; G60-R63 PolarHBondContact O-N 3.05Å; S61-R63 PolarHBondContact O-N 3.19Å; R63-W66 PolarHBondContact O-N 3.16Å; R63-R67 VanDerWaalsContact CZ-NH2 3.31Å; R63-R67 WeakPolarHBondContact O-CG 3.01Å; R63-R67 PolarHBondContact O-N 2.91Å; R63-L99 HydrophobicContact CG-CD2 3.73Å; R63-Y137 VanDerWaalsContact CZ-CE1 3.45Å; R63-Y137 VanDerWaalsContact NH1-CE1 3.32Å; R63-E140 IonicContact CZ-OE2 3.68Å; R63-E140 IonicContact NE-OE2 3.89Å; R63-E140 PolarHBondContact NE-OE2 2.87Å; R63-E140 IonicContact NH2-OE1 3.42Å; R63-E140 IonicContact NH2-OE2 3.67Å; R63-E140 PolarHBondContact NH2-OE2 2.97Å
64A97.9Very high97.8Very high46 Ų4647.6 Ų47.638%0.3826%0.26SS..Hα-helixtrans-63-46.4174.900000111.1G60 S61 W66 R67 I68G60-A64 WeakPolarHBondContact O-CB 3.11Å; G60-A64 PolarHBondContact O-N 3.31Å; S61-A64 PolarHBondContact O-N 3.48Å; A64-W66 PolarHBondContact O-N 3.38Å; A64-R67 PolarHBondContact O-N 3.28Å; A64-I68 WeakPolarHBondContact O-CG1 3.42Å; A64-I68 PolarHBondContact O-N 3.37Å; A64-I68 VanDerWaalsContact O-N 3.13Å
65A98.2Very high97.7Very high36 Ų3652.9 Ų52.930%0.29828%0.283SS..Hα-helixtrans-57.9-49.217500000111.3S61 L62 R67 I68 V69 V95S61-A65 PolarHBondContact O-N 3.27Å; L62-A65 PolarHBondContact O-N 3.27Å; A65-R67 PolarHBondContact O-N 2.89Å; A65-I68 PolarHBondContact O-N 2.69Å; A65-V69 VanDerWaalsContact O-CG2 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.42Å; A65-V69 PolarHBondContact O-N 3.2Å; A65-V95 HydrophobicContact CB-CG1 4.34Å
66W98.6Very high97.6Very high33 Ų3353.6 Ų53.613%0.12529%0.286CS..Hα-helixtrans-57.3-46.9178.8176.678.9000112.3L62 R63 A64 I68 V69 S70 V95 E96 L99 E140 F141L62-W66 WeakPolarHBondContact O-CB 3.44Å; L62-W66 PolarHBondContact O-N 3.49Å; R63-W66 PolarHBondContact O-N 3.16Å; A64-W66 PolarHBondContact O-N 3.38Å; W66-I68 VanDerWaalsContact C-N 3.34Å; W66-I68 PolarHBondContact O-N 3.02Å; W66-V69 PolarHBondContact O-N 3.39Å; W66-S70 WeakPolarHBondContact O-CB 3.48Å; W66-S70 PolarHBondContact O-N 3.31Å; W66-S70 PolarHBondContact O-OG 2.96Å; W66-V95 HydrophobicContact CB-CG1 3.83Å; W66-E96 VanDerWaalsContact CD1-CG 3.49Å; W66-E96 PolarHBondContact NE1-OE1 3.48Å; W66-L99 HydrophobicContact CB-CD1 3.75Å; W66-L99 HydrophobicContact CG-CD1 3.92Å; W66-E140 HydrophobicContact CH2-CG 4.01Å; W66-E140 WeakPolarHBondContact CH2-O 3.47Å; W66-E140 HydrophobicContact CZ3-CG 3.69Å; W66-F141 HydrophobicContact CD2-CB 4.02Å; W66-F141 HydrophobicContact CH2-CB 3.96Å; W66-F141 HydrophobicContact CZ2-CB 3.31Å
67R97.7Very high97.6Very high102 Ų10250.8 Ų50.839%0.38528%0.275SS..Hα-helixtrans-61-40.9178.1-72.6-176-172.6122.5-6113.1R63 A64 A65 S71 E140R63-R67 VanDerWaalsContact CZ-NH2 3.31Å; R63-R67 WeakPolarHBondContact O-CG 3.01Å; R63-R67 PolarHBondContact O-N 2.91Å; A64-R67 PolarHBondContact O-N 3.28Å; A65-R67 PolarHBondContact O-N 2.89Å; R67-S71 WeakPolarHBondContact O-CB 3.29Å; R67-S71 PolarHBondContact O-N 3.01Å; R67-E140 IonicContact CZ-OE1 3.2Å; R67-E140 IonicContact NE-OE1 3.79Å; R67-E140 PolarHBondContact NE-OE1 3.46Å; R67-E140 IonicContact NH2-OE1 3.47Å; R67-E140 PolarHBondContact NH2-OE1 3.02Å; R67-E140 IonicContact NH2-OE2 2.64Å; R67-E140 PolarHBondContact NH2-OE2 3.45Å
68I98.1Very high97.5Very high105 Ų10552.4 Ų52.454%0.53829%0.291SS..Hα-helixtrans-64.3-49.1177.8-68.4166.7000109.8A64 A65 W66 S71 I72A64-I68 WeakPolarHBondContact O-CG1 3.42Å; A64-I68 PolarHBondContact O-N 3.37Å; A64-I68 VanDerWaalsContact O-N 3.13Å; A65-I68 PolarHBondContact O-N 2.69Å; W66-I68 VanDerWaalsContact C-N 3.34Å; W66-I68 PolarHBondContact O-N 3.02Å; I68-S71 WeakPolarHBondContact O-CB 3.44Å; I68-S71 PolarHBondContact O-N 2.93Å; I68-I72 HydrophobicContact CG2-CD1 3.87Å; I68-I72 WeakPolarHBondContact O-CG1 3.35Å; I68-I72 PolarHBondContact O-N 3.37Å
69V98.4Very high97.4Very high13 Ų1360 Ų608%0.07932%0.319CS..Hα-helixtrans-63-44.6-179.2179.70000110.7A65 W66 S71 I72 E73 V88 Y91 R92A65-V69 VanDerWaalsContact O-CG2 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.42Å; A65-V69 PolarHBondContact O-N 3.2Å; W66-V69 PolarHBondContact O-N 3.39Å; V69-S71 VanDerWaalsContact C-N 3.3Å; V69-S71 PolarHBondContact O-N 3.35Å; V69-I72 PolarHBondContact O-N 3.15Å; V69-I72 VanDerWaalsContact O-N 3.11Å; V69-E73 PolarHBondContact O-N 3.01Å; V69-V88 HydrophobicContact CG1-CG1 3.81Å; V69-Y91 HydrophobicContact CG1-CD1 4.01Å; V69-Y91 HydrophobicContact CG2-CD1 3.69Å; V69-Y91 HydrophobicContact CG2-CE1 3.71Å; V69-R92 HydrophobicContact CG1-CB 3.72Å; V69-R92 HydrophobicContact CG1-CG 4.44Å
70S97.6Very high97.2Very high18 Ų1868.2 Ų68.213%0.12635%0.354CS..Hα-helixtrans-59.9-37.4174.5-640000112.8W66 E73 Q74 R92W66-S70 WeakPolarHBondContact O-CB 3.48Å; W66-S70 PolarHBondContact O-N 3.31Å; W66-S70 PolarHBondContact O-OG 2.96Å; S70-E73 PolarHBondContact O-N 3.17Å; S70-Q74 WeakPolarHBondContact O-CG 3.43Å; S70-Q74 PolarHBondContact O-N 3.3Å; S70-R92 WeakPolarHBondContact OG-CD 3.07Å
71S97.6Very high97Very high45 Ų4569 Ų6932%0.31535%0.35SS..Hα-helixtrans-69.1-36.5174.6-175.70000112.5R67 I68 V69 K75R67-S71 WeakPolarHBondContact O-CB 3.29Å; R67-S71 PolarHBondContact O-N 3.01Å; I68-S71 WeakPolarHBondContact O-CB 3.44Å; I68-S71 PolarHBondContact O-N 2.93Å; V69-S71 VanDerWaalsContact C-N 3.3Å; V69-S71 PolarHBondContact O-N 3.35Å; S71-K75 WeakPolarHBondContact O-CG 3.44Å; S71-K75 PolarHBondContact O-N 3.49Å
72I97.5Very high96.9Very high71 Ų7171.5 Ų71.536%0.36436%0.357SS..Hα-helixtrans-66.7-41.6175-67.8166.8000110.1I68 V69 Q74 K75 E76 V88I68-I72 HydrophobicContact CG2-CD1 3.87Å; I68-I72 WeakPolarHBondContact O-CG1 3.35Å; I68-I72 PolarHBondContact O-N 3.37Å; V69-I72 PolarHBondContact O-N 3.15Å; V69-I72 VanDerWaalsContact O-N 3.11Å; I72-Q74 PolarHBondContact O-N 2.68Å; I72-K75 WeakPolarHBondContact O-CB 3.27Å; I72-K75 PolarHBondContact O-N 3.33Å; I72-K75 VanDerWaalsContact O-N 3.11Å; I72-E76 HydrophobicContact CG2-CG 4.26Å; I72-E76 PolarHBondContact O-N 3.28Å; I72-V88 HydrophobicContact CB-CG1 4.46Å; I72-V88 HydrophobicContact CG2-CG1 4.22Å; I72-V88 HydrophobicContact CG2-CG2 3.97Å
73E97Very high96.7Very high16 Ų1677.2 Ų77.28%0.07538%0.384CS..Hα-helixtrans-55.4-51.8176.5-175.4171.9154.200111.2V69 S70 K75 E76 E77 V88 K89 R92V69-E73 PolarHBondContact O-N 3.01Å; S70-E73 PolarHBondContact O-N 3.17Å; E73-K75 PolarHBondContact O-N 2.85Å; E73-E76 PolarHBondContact O-N 3Å; E73-E76 VanDerWaalsContact O-N 3.15Å; E73-E77 WeakPolarHBondContact O-CB 3.42Å; E73-E77 WeakPolarHBondContact O-CG 3.47Å; E73-E77 PolarHBondContact O-N 2.88Å; E73-V88 HydrophobicContact CB-CG1 3.71Å; E73-V88 HydrophobicContact CG-CG1 4.47Å; E73-K89 VanDerWaalsContact CD-CG 3.46Å; E73-K89 HydrophobicContact CG-CG 4.16Å; E73-K89 WeakPolarHBondContact OE1-CE 3.26Å; E73-K89 VanDerWaalsContact OE1-CG 3.23Å; E73-K89 WeakPolarHBondContact OE1-CG 3.37Å; E73-R92 IonicContact OE1-CZ 3.98Å; E73-R92 IonicContact OE1-NE 3.3Å; E73-R92 IonicContact OE1-NH2 3.75Å; E73-R92 PolarHBondContact OE1-NH2 2.87Å; E73-R92 WeakPolarHBondContact OE2-CD 3.32Å; E73-R92 IonicContact OE2-CZ 2.74Å; E73-R92 IonicContact OE2-NE 2.97Å; E73-R92 PolarHBondContact OE2-NE 2.98Å; E73-R92 IonicContact OE2-NH2 3.44Å; E73-R92 PolarHBondContact OE2-NH2 3.35Å
74Q96.1Very high96.7Very high130 Ų13079.9 Ų79.961%0.60740%0.397SS*.Hα-helixtrans-58.4-37.2177.8-68.7172900112.4S70 I72 S78S70-Q74 WeakPolarHBondContact O-CG 3.43Å; S70-Q74 PolarHBondContact O-N 3.3Å; I72-Q74 PolarHBondContact O-N 2.68Å; Q74-S78 PolarHBondContact O-N 3.08Å
75K96.7Very high96.7Very high112 Ų11278.2 Ų78.249%0.48738%0.382SS..Hα-helixtrans-68.9-44.1177.1-72.9169.5-174.71690111.5S71 I72 E73 S78 R79S71-K75 WeakPolarHBondContact O-CG 3.44Å; S71-K75 PolarHBondContact O-N 3.49Å; I72-K75 WeakPolarHBondContact O-CB 3.27Å; I72-K75 PolarHBondContact O-N 3.33Å; I72-K75 VanDerWaalsContact O-N 3.11Å; E73-K75 PolarHBondContact O-N 2.85Å; K75-S78 PolarHBondContact O-N 3.46Å; K75-S78 PolarHBondContact O-OG 3.13Å; K75-R79 WeakPolarHBondContact O-CG 3.5Å; K75-R79 PolarHBondContact O-N 3.47Å
76E97Very high96.7Very high17 Ų1779.6 Ų79.68%0.07939%0.39CS..Hα-helixtrans-68.3-35.3177.9-66-56.3117.800111.8I72 E73 S78 R79 K80 N81 H84 V85I72-E76 HydrophobicContact CG2-CG 4.26Å; I72-E76 PolarHBondContact O-N 3.28Å; E73-E76 PolarHBondContact O-N 3Å; E73-E76 VanDerWaalsContact O-N 3.15Å; E76-S78 VanDerWaalsContact C-N 3.34Å; E76-S78 PolarHBondContact O-N 3.42Å; E76-R79 CarbonylContact O-C 3.57Å; E76-R79 PolarHBondContact O-N 3.32Å; E76-R79 VanDerWaalsContact O-N 3.13Å; E76-R79 IonicContact OE1-CZ 3.2Å; E76-R79 IonicContact OE1-NE 2.69Å; E76-R79 IonicContact OE1-NH1 2.86Å; E76-R79 PolarHBondContact OE1-NH1 2.94Å; E76-K80 PolarHBondContact O-N 2.86Å; E76-K80 VanDerWaalsContact O-N 3.15Å; E76-N81 PolarHBondContact O-N 3.38Å; E76-N81 PolarHBondContact OE2-ND2 2.85Å; E76-H84 HydrophobicContact CB-CB 4.34Å; E76-H84 HydrophobicContact CG-CB 4.06Å; E76-H84 WeakPolarHBondContact OE2-CB 3.43Å; E76-H84 IonicContact OE2-CG 3.57Å; E76-H84 IonicContact OE2-ND1 2.96Å; E76-H84 PolarHBondContact OE2-ND1 3.36Å; E76-V85 VanDerWaalsContact C-CG2 3.47Å; E76-V85 HydrophobicContact CB-CG2 3.79Å
77E96.1Very high96.6Very high84 Ų8483.1 Ų83.139%0.39341%0.41SS..Hα-helixtrans-61.4-42.1171.6-74.3-176156.900111.4E73 R79 K80 V85 K89E73-E77 WeakPolarHBondContact O-CB 3.42Å; E73-E77 WeakPolarHBondContact O-CG 3.47Å; E73-E77 PolarHBondContact O-N 2.88Å; E77-R79 PolarHBondContact O-N 3.39Å; E77-K80 PolarHBondContact O-N 2.95Å; E77-V85 HydrophobicContact CB-CG2 4.35Å; E77-V85 HydrophobicContact CG-CB 4.47Å; E77-V85 HydrophobicContact CG-CG1 3.81Å; E77-V85 HydrophobicContact CG-CG2 3.73Å; E77-K89 WeakPolarHBondContact OE1-CE 3.46Å; E77-K89 IonicContact OE1-NZ 3.65Å; E77-K89 PolarHBondContact OE1-NZ 3.45Å
78S96.6Very high96.6Very high92 Ų9279.3 Ų79.364%0.64340%0.398SS*.Hα-helixtrans-64.5-25.9176.378.90000113.4Q74 K75 E76Q74-S78 PolarHBondContact O-N 3.08Å; K75-S78 PolarHBondContact O-N 3.46Å; K75-S78 PolarHBondContact O-OG 3.13Å; E76-S78 VanDerWaalsContact C-N 3.34Å; E76-S78 PolarHBondContact O-N 3.42Å
79R95.7Very high96.6Very high171 Ų17177.7 Ų77.765%0.64539%0.388SS*.THydrogen-bonded Turntrans-86.4-6.6175.8-66.5170.8-178.2177-6.2113.2K75 E76 E77 N81K75-R79 WeakPolarHBondContact O-CG 3.5Å; K75-R79 PolarHBondContact O-N 3.47Å; E76-R79 CarbonylContact O-C 3.57Å; E76-R79 PolarHBondContact O-N 3.32Å; E76-R79 VanDerWaalsContact O-N 3.13Å; E76-R79 IonicContact OE1-CZ 3.2Å; E76-R79 IonicContact OE1-NE 2.69Å; E76-R79 IonicContact OE1-NH1 2.86Å; E76-R79 PolarHBondContact OE1-NH1 2.94Å; E77-R79 PolarHBondContact O-N 3.39Å; R79-N81 PolarHBondContact O-N 2.92Å
80K93.1Very high96.6Very high175 Ų17582.2 Ų82.276%0.76141%0.411SS*.THydrogen-bonded Turntrans53.938.3-174.5-56.3-179.8178.1-179.60112.7E76 E77 D82E76-K80 PolarHBondContact O-N 2.86Å; E76-K80 VanDerWaalsContact O-N 3.15Å; E77-K80 PolarHBondContact O-N 2.95Å; K80-D82 PolarHBondContact O-N 3.49Å
81N93.7Very high96.7Very high50 Ų5087.5 Ų87.527%0.26743%0.429SS..  trans-93.680.1176.5-172.5-11000109.9E76 R79 E83 H84 V85E76-N81 PolarHBondContact O-N 3.38Å; E76-N81 PolarHBondContact OE2-ND2 2.85Å; R79-N81 PolarHBondContact O-N 2.92Å; N81-E83 PolarHBondContact O-N 3.26Å; N81-H84 HydrophobicContact CB-CB 4.25Å; N81-H84 PolarHBondContact ND2-CE1 3.14Å; N81-H84 VanDerWaalsContact ND2-CE1 3.32Å; N81-H84 PolarHBondContact ND2-ND1 3.46Å; N81-H84 PolarHBondContact O-N 3.48Å; N81-H84 VanDerWaalsContact O-N 3.13Å; N81-H84 PolarHBondContact OD1-N 2.71Å; N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.16Å; N81-V85 PolarHBondContact O-N 3.3Å
82D94.4Very high96.7Very high131 Ų13187.9 Ų87.970%0.70142%0.424SS*.Hα-helixtrans-58-34.2-170.5-64-28.9000113.3K80 V85 S86K80-D82 PolarHBondContact O-N 3.49Å; D82-V85 PolarHBondContact O-N 3.15Å; D82-S86 PolarHBondContact O-N 3.34Å
83E95.4Very high96.7Very high145 Ų14587 Ų8768%0.67842%0.424SS*.Hα-helixtrans-64.2-50.8176.6-175.4179.4177.100111.3N81 S86 L87N81-E83 PolarHBondContact O-N 3.26Å; E83-S86 PolarHBondContact O-N 2.8Å; E83-L87 WeakPolarHBondContact O-CG 3.19Å; E83-L87 PolarHBondContact O-N 3.18Å
84H97.3Very high96.8Very high85 Ų8592 Ų9239%0.39445%0.446SS..Hα-helixtrans-66.2-38.5177-74.3-172.1000112.2E76 N81 S86 L87 V88E76-H84 HydrophobicContact CB-CB 4.34Å; E76-H84 HydrophobicContact CG-CB 4.06Å; E76-H84 WeakPolarHBondContact OE2-CB 3.43Å; E76-H84 IonicContact OE2-CG 3.57Å; E76-H84 IonicContact OE2-ND1 2.96Å; E76-H84 PolarHBondContact OE2-ND1 3.36Å; N81-H84 HydrophobicContact CB-CB 4.25Å; N81-H84 PolarHBondContact ND2-CE1 3.14Å; N81-H84 VanDerWaalsContact ND2-CE1 3.32Å; N81-H84 PolarHBondContact ND2-ND1 3.46Å; N81-H84 PolarHBondContact O-N 3.48Å; N81-H84 VanDerWaalsContact O-N 3.13Å; N81-H84 PolarHBondContact OD1-N 2.71Å; H84-S86 VanDerWaalsContact C-N 3.27Å; H84-S86 PolarHBondContact O-N 3.38Å; H84-L87 PolarHBondContact O-N 3.41Å; H84-V88 WeakPolarHBondContact O-CB 3.48Å; H84-V88 VanDerWaalsContact O-CG2 3.24Å; H84-V88 WeakPolarHBondContact O-CG2 3.35Å; H84-V88 PolarHBondContact O-N 3.46Å
85V97.7Very high96.9Very high12 Ų1285.9 Ų85.97%0.07342%0.417CS..Hα-helixtrans-57.6-43.1176.8170.10000110.5E76 E77 N81 D82 K89E76-V85 VanDerWaalsContact C-CG2 3.47Å; E76-V85 HydrophobicContact CB-CG2 3.79Å; E77-V85 HydrophobicContact CB-CG2 4.35Å; E77-V85 HydrophobicContact CG-CB 4.47Å; E77-V85 HydrophobicContact CG-CG1 3.81Å; E77-V85 HydrophobicContact CG-CG2 3.73Å; N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.16Å; N81-V85 PolarHBondContact O-N 3.3Å; D82-V85 PolarHBondContact O-N 3.15Å; V85-K89 HydrophobicContact CG1-CD 3.91Å; V85-K89 WeakPolarHBondContact O-CB 3.41Å; V85-K89 VanDerWaalsContact O-CG 3.31Å; V85-K89 WeakPolarHBondContact O-CG 3.47Å; V85-K89 PolarHBondContact O-N 3.44Å
86S97.6Very high97Very high64 Ų6481.9 Ų81.945%0.44840%0.401SS..Hα-helixtrans-61.9-48.1176.2-166.50000112D82 E83 H84 V88 K89 D90D82-S86 PolarHBondContact O-N 3.34Å; E83-S86 PolarHBondContact O-N 2.8Å; H84-S86 VanDerWaalsContact C-N 3.27Å; H84-S86 PolarHBondContact O-N 3.38Å; S86-V88 VanDerWaalsContact C-N 3.34Å; S86-V88 PolarHBondContact O-N 3.44Å; S86-K89 PolarHBondContact O-N 3.44Å; S86-D90 PolarHBondContact O-N 2.96Å
87L98.1Very high97.1Very high107 Ų10784.8 Ų84.856%0.5642%0.422SS*.Hα-helixtrans-61.9-41.6-179.7-67.4173.4000112.4E83 H84 Y91E83-L87 WeakPolarHBondContact O-CG 3.19Å; E83-L87 PolarHBondContact O-N 3.18Å; H84-L87 PolarHBondContact O-N 3.41Å; L87-Y91 PolarHBondContact O-N 3.02Å; L87-Y91 VanDerWaalsContact O-N 3.13Å
88V98Very high97.2Very high22 Ų2284.4 Ų84.413%0.13342%0.421CS..Hα-helixtrans-69.8-38.5179.5179.40000110.8V69 I72 E73 H84 S86 Y91 R92V69-V88 HydrophobicContact CG1-CG1 3.81Å; I72-V88 HydrophobicContact CB-CG1 4.46Å; I72-V88 HydrophobicContact CG2-CG1 4.22Å; I72-V88 HydrophobicContact CG2-CG2 3.97Å; E73-V88 HydrophobicContact CB-CG1 3.71Å; E73-V88 HydrophobicContact CG-CG1 4.47Å; H84-V88 WeakPolarHBondContact O-CB 3.48Å; H84-V88 VanDerWaalsContact O-CG2 3.24Å; H84-V88 WeakPolarHBondContact O-CG2 3.35Å; H84-V88 PolarHBondContact O-N 3.46Å; S86-V88 VanDerWaalsContact C-N 3.34Å; S86-V88 PolarHBondContact O-N 3.44Å; V88-Y91 PolarHBondContact O-N 3.2Å; V88-R92 WeakPolarHBondContact O-CB 3.4Å; V88-R92 PolarHBondContact O-N 2.86Å
89K97.9Very high97.3Very high72 Ų7280 Ų8031%0.31339%0.39SS..Hα-helixtrans-59.7-48.6174.5-82.9174.9179.1169.80112E73 E77 V85 S86 Y91 R92 S93E73-K89 VanDerWaalsContact CD-CG 3.46Å; E73-K89 HydrophobicContact CG-CG 4.16Å; E73-K89 WeakPolarHBondContact OE1-CE 3.26Å; E73-K89 VanDerWaalsContact OE1-CG 3.23Å; E73-K89 WeakPolarHBondContact OE1-CG 3.37Å; E77-K89 WeakPolarHBondContact OE1-CE 3.46Å; E77-K89 IonicContact OE1-NZ 3.65Å; E77-K89 PolarHBondContact OE1-NZ 3.45Å; V85-K89 HydrophobicContact CG1-CD 3.91Å; V85-K89 WeakPolarHBondContact O-CB 3.41Å; V85-K89 VanDerWaalsContact O-CG 3.31Å; V85-K89 WeakPolarHBondContact O-CG 3.47Å; V85-K89 PolarHBondContact O-N 3.44Å; S86-K89 PolarHBondContact O-N 3.44Å; K89-Y91 VanDerWaalsContact C-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.35Å; K89-R92 PolarHBondContact O-N 3.32Å; K89-S93 PolarHBondContact O-N 2.57Å; K89-S93 PolarHBondContact O-OG 2.94Å
90D98.3Very high97.4Very high108 Ų10872.9 Ų72.958%0.57837%0.366SS*.Hα-helixtrans-59.9-42.5178.3-69.9-19.6000111.2S86 S93 K94S86-D90 PolarHBondContact O-N 2.96Å; D90-S93 PolarHBondContact O-N 3.29Å; D90-K94 PolarHBondContact O-N 3.5Å; D90-K94 VanDerWaalsContact O-N 3.12Å
91Y98.4Very high97.7Very high129 Ų12968.6 Ų68.651%0.50636%0.358SS..Hα-helixtrans-67.9-40.9177.4-169.8-118.7000112.5V69 L87 V88 K89 S93 K94 V95V69-Y91 HydrophobicContact CG1-CD1 4.01Å; V69-Y91 HydrophobicContact CG2-CD1 3.69Å; V69-Y91 HydrophobicContact CG2-CE1 3.71Å; L87-Y91 PolarHBondContact O-N 3.02Å; L87-Y91 VanDerWaalsContact O-N 3.13Å; V88-Y91 PolarHBondContact O-N 3.2Å; K89-Y91 VanDerWaalsContact C-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.35Å; Y91-S93 VanDerWaalsContact C-N 3.34Å; Y91-S93 PolarHBondContact O-N 2.98Å; Y91-K94 WeakPolarHBondContact O-CB 3.48Å; Y91-K94 PolarHBondContact O-N 3.49Å; Y91-V95 HydrophobicContact CE1-CG2 4.38Å; Y91-V95 PolarHBondContact O-N 3.43Å; Y91-V95 VanDerWaalsContact O-N 3.15Å
92R98.3Very high97.9Very high52 Ų5267.5 Ų67.520%0.19635%0.353CS..Hα-helixtrans-58.1-47.7173.7-177.1177.150.792.6-7.5110.7V69 S70 E73 V88 K89 K94 V95 E96V69-R92 HydrophobicContact CG1-CB 3.72Å; V69-R92 HydrophobicContact CG1-CG 4.44Å; S70-R92 WeakPolarHBondContact OG-CD 3.07Å; E73-R92 IonicContact OE1-CZ 3.98Å; E73-R92 IonicContact OE1-NE 3.3Å; E73-R92 IonicContact OE1-NH2 3.75Å; E73-R92 PolarHBondContact OE1-NH2 2.87Å; E73-R92 WeakPolarHBondContact OE2-CD 3.32Å; E73-R92 IonicContact OE2-CZ 2.74Å; E73-R92 IonicContact OE2-NE 2.97Å; E73-R92 PolarHBondContact OE2-NE 2.98Å; E73-R92 IonicContact OE2-NH2 3.44Å; E73-R92 PolarHBondContact OE2-NH2 3.35Å; V88-R92 WeakPolarHBondContact O-CB 3.4Å; V88-R92 PolarHBondContact O-N 2.86Å; K89-R92 PolarHBondContact O-N 3.32Å; R92-K94 PolarHBondContact O-N 3.43Å; R92-V95 PolarHBondContact O-N 3.22Å; R92-E96 WeakPolarHBondContact CD-OE1 3.43Å; R92-E96 HydrophobicContact CG-CG 4.25Å; R92-E96 WeakPolarHBondContact CG-OE1 3.28Å; R92-E96 IonicContact CZ-OE1 2.75Å; R92-E96 IonicContact NE-OE1 2.71Å; R92-E96 IonicContact NH1-OE1 3.35Å; R92-E96 PolarHBondContact NH1-OE1 3.39Å; R92-E96 IonicContact NH1-OE2 3.68Å; R92-E96 PolarHBondContact NH1-OE2 3.17Å; R92-E96 WeakPolarHBondContact O-CG 3.31Å; R92-E96 PolarHBondContact O-N 3.15Å
93S98.1Very high98.1Very high54 Ų5461.2 Ų61.238%0.37832%0.32SS..Hα-helixtrans-61.8-31.4179.5-67.40000113.1K89 D90 Y91 S97K89-S93 PolarHBondContact O-N 2.57Å; K89-S93 PolarHBondContact O-OG 2.94Å; D90-S93 PolarHBondContact O-N 3.29Å; Y91-S93 VanDerWaalsContact C-N 3.34Å; Y91-S93 PolarHBondContact O-N 2.98Å; S93-S97 PolarHBondContact O-N 3.23Å; S93-S97 PolarHBondContact O-OG 3.01Å
94K98.5Very high98.2Very high119 Ų11957.5 Ų57.552%0.51731%0.31SS..Hα-helixtrans-62.9-50170-176.3-175.8174.3-171.20111.5D90 Y91 R92 E96 S97 E98D90-K94 PolarHBondContact O-N 3.5Å; D90-K94 VanDerWaalsContact O-N 3.12Å; Y91-K94 WeakPolarHBondContact O-CB 3.48Å; Y91-K94 PolarHBondContact O-N 3.49Å; R92-K94 PolarHBondContact O-N 3.43Å; K94-E96 VanDerWaalsContact C-N 3.3Å; K94-E96 PolarHBondContact O-N 3.19Å; K94-S97 WeakPolarHBondContact O-CB 3.23Å; K94-S97 PolarHBondContact O-N 3.37Å; K94-S97 VanDerWaalsContact O-N 3.11Å; K94-E98 WeakPolarHBondContact CE-OE1 3.37Å; K94-E98 PolarHBondContact O-N 2.82Å
95V98.5Very high98.3Very high3 Ų354.7 Ų54.72%0.01830%0.303CS..Hα-helixtrans-62.2-38.5178.3-177.80000111.2A65 W66 Y91 R92 S97 E98 L99A65-V95 HydrophobicContact CB-CG1 4.34Å; W66-V95 HydrophobicContact CB-CG1 3.83Å; Y91-V95 HydrophobicContact CE1-CG2 4.38Å; Y91-V95 PolarHBondContact O-N 3.43Å; Y91-V95 VanDerWaalsContact O-N 3.15Å; R92-V95 PolarHBondContact O-N 3.22Å; V95-S97 VanDerWaalsContact C-N 3.3Å; V95-S97 PolarHBondContact O-N 3.4Å; V95-E98 PolarHBondContact O-N 2.96Å; V95-L99 HydrophobicContact CG1-CD1 4.4Å; V95-L99 WeakPolarHBondContact O-CB 3.36Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 2.96Å
96E98.6Very high98.3Very high28 Ų2854.1 Ų54.113%0.13130%0.3CS..Hα-helixtrans-64.2-34.4175.1-71174.3171.900112.8W66 R92 K94 S100 F141W66-E96 VanDerWaalsContact CD1-CG 3.49Å; W66-E96 PolarHBondContact NE1-OE1 3.48Å; R92-E96 WeakPolarHBondContact CD-OE1 3.43Å; R92-E96 HydrophobicContact CG-CG 4.25Å; R92-E96 WeakPolarHBondContact CG-OE1 3.28Å; R92-E96 IonicContact CZ-OE1 2.75Å; R92-E96 IonicContact NE-OE1 2.71Å; R92-E96 IonicContact NH1-OE1 3.35Å; R92-E96 PolarHBondContact NH1-OE1 3.39Å; R92-E96 IonicContact NH1-OE2 3.68Å; R92-E96 PolarHBondContact NH1-OE2 3.17Å; R92-E96 WeakPolarHBondContact O-CG 3.31Å; R92-E96 PolarHBondContact O-N 3.15Å; K94-E96 VanDerWaalsContact C-N 3.3Å; K94-E96 PolarHBondContact O-N 3.19Å; E96-S100 VanDerWaalsContact O-CB 3.32Å; E96-S100 WeakPolarHBondContact O-CB 3.39Å; E96-S100 PolarHBondContact O-N 3.35Å; E96-S100 PolarHBondContact O-OG 3.06Å; E96-F141 HydrophobicContact CB-CD2 3.84Å; E96-F141 HydrophobicContact CB-CE2 4Å; E96-F141 HydrophobicContact CG-CB 4.34Å; E96-F141 HydrophobicContact CG-CD2 3.68Å; E96-F141 HydrophobicContact CG-CE2 4.34Å; E96-F141 HydrophobicContact CG-CG 4.27Å; E96-F141 WeakPolarHBondContact O-CE2 3.28Å
97S98.6Very high98.4Very high77 Ų7752 Ų5254%0.53828%0.283SS..Hα-helixtrans-68.9-40.4174.8-59.20000111.3S93 K94 V95 S100 S101S93-S97 PolarHBondContact O-N 3.23Å; S93-S97 PolarHBondContact O-OG 3.01Å; K94-S97 WeakPolarHBondContact O-CB 3.23Å; K94-S97 PolarHBondContact O-N 3.37Å; K94-S97 VanDerWaalsContact O-N 3.11Å; V95-S97 VanDerWaalsContact C-N 3.3Å; V95-S97 PolarHBondContact O-N 3.4Å; S97-S100 PolarHBondContact O-N 2.83Å; S97-S101 WeakPolarHBondContact O-CB 3.21Å; S97-S101 PolarHBondContact O-N 3.3Å
98E98.5Very high98.4Very high77 Ų7754.4 Ų54.436%0.3629%0.289SS..Hα-helixtrans-64-46.9174-68.2169.8-173.800111.2L62 K94 V95 S100 S101 V102L62-E98 HydrophobicContact CD1-CB 4.32Å; L62-E98 HydrophobicContact CD2-CB 3.93Å; L62-E98 WeakPolarHBondContact CD2-OE2 3.09Å; K94-E98 WeakPolarHBondContact CE-OE1 3.37Å; K94-E98 PolarHBondContact O-N 2.82Å; V95-E98 PolarHBondContact O-N 2.96Å; E98-S100 VanDerWaalsContact C-N 3.34Å; E98-S100 PolarHBondContact O-N 3.29Å; E98-S101 PolarHBondContact O-N 3.49Å; E98-V102 WeakPolarHBondContact O-CG2 3.42Å; E98-V102 PolarHBondContact O-N 3.46Å
99L98.4Very high98.3Very high0 Ų053.8 Ų53.80%029%0.286CS..Hα-helixtrans-55.5-48.4172.6-79.7169.9000111.6I59 L62 R63 W66 V95 S101 V102 C103 F141I59-L99 HydrophobicContact CD1-CD2 3.58Å; I59-L99 HydrophobicContact CG1-CD2 4.23Å; L62-L99 HydrophobicContact CB-CD2 3.44Å; L62-L99 VanDerWaalsContact CB-CD2 3.44Å; L62-L99 HydrophobicContact CB-CG 3.91Å; L62-L99 HydrophobicContact CD1-CD2 4.41Å; R63-L99 HydrophobicContact CG-CD2 3.73Å; W66-L99 HydrophobicContact CB-CD1 3.75Å; W66-L99 HydrophobicContact CG-CD1 3.92Å; V95-L99 HydrophobicContact CG1-CD1 4.4Å; V95-L99 WeakPolarHBondContact O-CB 3.36Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 2.96Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 2.92Å; L99-V102 PolarHBondContact O-N 3.37Å; L99-C103 WeakPolarHBondContact O-CB 3.42Å; L99-C103 PolarHBondContact O-N 3.15Å; L99-C103 PolarHBondContact O-SG 3Å; L99-F141 HydrophobicContact CB-CD1 4.39Å; L99-F141 HydrophobicContact CB-CE1 3.69Å; L99-F141 HydrophobicContact CB-CE2 4.4Å; L99-F141 HydrophobicContact CB-CZ 3.69Å; L99-F141 HydrophobicContact CD1-CD1 3.9Å; L99-F141 HydrophobicContact CD1-CE1 4.04Å; L99-F141 HydrophobicContact CD1-CG 4.32Å; L99-F141 HydrophobicContact CG-CE1 4.39Å
100S98.5Very high98.3Very high20 Ų2050.4 Ų50.414%0.1427%0.271CS..Hα-helixtrans-60.3-43.8179.2-60.50000111.2E96 S97 E98 C103 S104 F141 K142E96-S100 VanDerWaalsContact O-CB 3.32Å; E96-S100 WeakPolarHBondContact O-CB 3.39Å; E96-S100 PolarHBondContact O-N 3.35Å; E96-S100 PolarHBondContact O-OG 3.06Å; S97-S100 PolarHBondContact O-N 2.83Å; E98-S100 VanDerWaalsContact C-N 3.34Å; E98-S100 PolarHBondContact O-N 3.29Å; S100-C103 PolarHBondContact O-N 3.46Å; S100-S104 WeakPolarHBondContact O-CB 3.41Å; S100-S104 PolarHBondContact O-N 2.85Å; S100-S104 PolarHBondContact O-OG 3.16Å; S100-S104 VanDerWaalsContact O-OG 3.07Å; S100-F141 WeakPolarHBondContact OG-CE2 3.06Å; S100-F141 WeakPolarHBondContact OG-CZ 3.43Å; S100-K142 WeakPolarHBondContact OG-CE 3.49Å
101S98.5Very high98.3Very high85 Ų8549 Ų4959%0.59426%0.264SS*.Hα-helixtrans-61.4-46.3178.8-172.80000112S97 E98 L99 S104 G105S97-S101 WeakPolarHBondContact O-CB 3.21Å; S97-S101 PolarHBondContact O-N 3.3Å; E98-S101 PolarHBondContact O-N 3.49Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 2.92Å; S101-S104 PolarHBondContact O-N 3.41Å; S101-G105 PolarHBondContact O-N 3.48Å
102V98.4Very high98.2Very high27 Ų2745.8 Ų45.816%0.16426%0.259CS..Hα-helixtrans-64.7-47.2179.3175.50000110.7Y55 V58 I59 L62 E98 L99 S104 G105 I106Y55-V102 HydrophobicContact CD1-CG1 3.94Å; Y55-V102 HydrophobicContact CE1-CG1 4.36Å; V58-V102 HydrophobicContact CG1-CG1 4.27Å; V58-V102 HydrophobicContact CG1-CG2 3.95Å; I59-V102 HydrophobicContact CB-CG1 4.46Å; I59-V102 HydrophobicContact CD1-CB 4.03Å; I59-V102 HydrophobicContact CD1-CG1 3.81Å; L62-V102 HydrophobicContact CD1-CB 4.48Å; L62-V102 HydrophobicContact CD1-CG2 3.78Å; E98-V102 WeakPolarHBondContact O-CG2 3.42Å; E98-V102 PolarHBondContact O-N 3.46Å; L99-V102 PolarHBondContact O-N 3.37Å; V102-S104 PolarHBondContact O-N 3.32Å; V102-G105 PolarHBondContact O-N 3.36Å; V102-I106 WeakPolarHBondContact O-CG2 3.28Å; V102-I106 PolarHBondContact O-N 3.41Å
103C98.6Very high98Very high0 Ų045.4 Ų45.40%026%0.26CS..Hα-helixtrans-58.9-48.4176.6-71.70000111.8L99 S100 G105 I106 L107 Y134 M138L99-C103 WeakPolarHBondContact O-CB 3.42Å; L99-C103 PolarHBondContact O-N 3.15Å; L99-C103 PolarHBondContact O-SG 3Å; S100-C103 PolarHBondContact O-N 3.46Å; C103-G105 VanDerWaalsContact C-N 3.3Å; C103-G105 PolarHBondContact O-N 2.83Å; C103-I106 VanDerWaalsContact O-CG2 3.31Å; C103-I106 WeakPolarHBondContact O-CG2 3.34Å; C103-I106 PolarHBondContact O-N 2.65Å; C103-L107 VanDerWaalsContact O-CB 3.3Å; C103-L107 WeakPolarHBondContact O-CB 3.34Å; C103-L107 WeakPolarHBondContact O-CD1 3.21Å; C103-L107 WeakPolarHBondContact O-CG 3.42Å; C103-L107 PolarHBondContact O-N 2.88Å; C103-Y134 HydrophobicContact CB-CD1 4.42Å; C103-M138 HydrophobicContact CB-CG 3.74Å; C103-M138 HydrophobicContact CB-SD 3.47Å; C103-M138 WeakPolarHBondContact CB-SD 3.39Å
104S98.2Very high98Very high67 Ų6742.9 Ų42.947%0.46924%0.242SC..Hα-helixtrans-62.9-36.1179.1-66.60000112.7S100 S101 V102 K108S100-S104 WeakPolarHBondContact O-CB 3.41Å; S100-S104 PolarHBondContact O-N 2.85Å; S100-S104 PolarHBondContact O-OG 3.16Å; S100-S104 VanDerWaalsContact O-OG 3.07Å; S101-S104 PolarHBondContact O-N 3.41Å; V102-S104 PolarHBondContact O-N 3.32Å; S104-K108 VanDerWaalsContact O-CB 3.3Å; S104-K108 WeakPolarHBondContact O-CB 3.43Å; S104-K108 PolarHBondContact O-N 2.9Å
105G97.8Very high98Very high25 Ų2539.2 Ų39.226%0.25823%0.228SC..Hα-helixtrans-59.4-56.2176.200000112.4S101 V102 C103 K108 L109S101-G105 PolarHBondContact O-N 3.48Å; V102-G105 PolarHBondContact O-N 3.36Å; C103-G105 VanDerWaalsContact C-N 3.3Å; C103-G105 PolarHBondContact O-N 2.83Å; G105-K108 PolarHBondContact O-N 2.86Å; G105-L109 PolarHBondContact O-N 2.69Å
106I98.4Very high97.9Very high0 Ų043.5 Ų43.50%026%0.256CS..Hα-helixtrans-68.1-37.8-179.7-17454.7000112.6L51 Y55 V102 C103 K108 L109 L110 L114 M130 Y134L51-I106 HydrophobicContact CD2-CD1 4.45Å; Y55-I106 HydrophobicContact CD1-CB 3.92Å; Y55-I106 HydrophobicContact CD1-CG1 4.44Å; Y55-I106 HydrophobicContact CD1-CG2 4.41Å; Y55-I106 HydrophobicContact CD2-CD1 3.98Å; Y55-I106 HydrophobicContact CD2-CG1 4.42Å; Y55-I106 HydrophobicContact CE1-CB 3.64Å; Y55-I106 HydrophobicContact CE1-CG1 4.42Å; Y55-I106 HydrophobicContact CE1-CG2 4.41Å; Y55-I106 HydrophobicContact CE2-CB 4.38Å; Y55-I106 HydrophobicContact CE2-CD1 3.71Å; Y55-I106 HydrophobicContact CE2-CG1 4.38Å; Y55-I106 HydrophobicContact CG-CB 4.39Å; Y55-I106 HydrophobicContact CG-CD1 4.47Å; Y55-I106 HydrophobicContact CG-CG1 4.42Å; V102-I106 WeakPolarHBondContact O-CG2 3.28Å; V102-I106 PolarHBondContact O-N 3.41Å; C103-I106 VanDerWaalsContact O-CG2 3.31Å; C103-I106 WeakPolarHBondContact O-CG2 3.34Å; C103-I106 PolarHBondContact O-N 2.65Å; I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 3.29Å; I106-L109 HydrophobicContact CD1-CB 4.42Å; I106-L109 HydrophobicContact CD1-CD2 4.29Å; I106-L109 PolarHBondContact O-N 3.49Å; I106-L109 VanDerWaalsContact O-N 3.15Å; I106-L110 HydrophobicContact CD1-CD1 4.41Å; I106-L110 HydrophobicContact CD1-CG 4.15Å; I106-L110 HydrophobicContact CG1-CD1 3.91Å; I106-L110 HydrophobicContact CG1-CG 4.19Å; I106-L110 WeakPolarHBondContact O-CB 3.46Å; I106-L110 VanDerWaalsContact O-CG 3.23Å; I106-L110 WeakPolarHBondContact O-CG 3.25Å; I106-L110 PolarHBondContact O-N 3.39Å; I106-L114 HydrophobicContact CD1-CD1 4.46Å; I106-M130 HydrophobicContact CD1-SD 4.11Å; I106-M130 HydrophobicContact CG1-SD 4.16Å; I106-Y134 HydrophobicContact CG1-CD2 4.13Å; I106-Y134 HydrophobicContact CG1-CE2 4.02Å; I106-Y134 HydrophobicContact CG2-CD1 3.41Å; I106-Y134 VanDerWaalsContact CG2-CD1 3.41Å; I106-Y134 HydrophobicContact CG2-CD2 3.56Å; I106-Y134 HydrophobicContact CG2-CE1 3.72Å; I106-Y134 HydrophobicContact CG2-CE2 3.88Å; I106-Y134 HydrophobicContact CG2-CG 3.36Å
107L98.8Very high97.7Very high19 Ų1943.1 Ų43.110%0.09926%0.256CS..Hα-helixtrans-61.3-42.1176.8-72172.9000111.3C103 L110 D111 K131 H135C103-L107 VanDerWaalsContact O-CB 3.3Å; C103-L107 WeakPolarHBondContact O-CB 3.34Å; C103-L107 WeakPolarHBondContact O-CD1 3.21Å; C103-L107 WeakPolarHBondContact O-CG 3.42Å; C103-L107 PolarHBondContact O-N 2.88Å; L107-L110 HydrophobicContact CD2-CD1 4.45Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-D111 WeakPolarHBondContact O-CB 3.28Å; L107-D111 PolarHBondContact O-N 3.4Å; L107-K131 HydrophobicContact CD2-CB 4.48Å; L107-K131 HydrophobicContact CD2-CG 3.82Å; L107-H135 VanDerWaalsContact CD2-CD2 3.45Å; L107-H135 WeakPolarHBondContact CD2-CD2 3.26Å
108K98Very high97.6Very high158 Ų15839.8 Ų39.869%0.68723%0.233SC*.Hα-helixtrans-61.5-44.9173.5-177.1-177.8177.5-174.50111.3S104 G105 I106 L110 D111 S112S104-K108 VanDerWaalsContact O-CB 3.3Å; S104-K108 WeakPolarHBondContact O-CB 3.43Å; S104-K108 PolarHBondContact O-N 2.9Å; G105-K108 PolarHBondContact O-N 2.86Å; I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 3.29Å; K108-L110 VanDerWaalsContact C-N 3.35Å; K108-D111 PolarHBondContact O-N 3.45Å; K108-S112 WeakPolarHBondContact O-CB 3.39Å; K108-S112 PolarHBondContact O-N 3.41Å; K108-S112 PolarHBondContact O-OG 3.44Å
109L97Very high97.4Very high10 Ų1038.5 Ų38.55%0.05224%0.241CC..Hα-helixtrans-63.4-41.5179.7-165.266.2000112E31 V34 T35 L51 G105 I106 H113 L114E31-L109 HydrophobicContact CG-CD2 4.34Å; V34-L109 HydrophobicContact CB-CD1 3.93Å; V34-L109 HydrophobicContact CB-CD2 4.18Å; V34-L109 HydrophobicContact CB-CG 4.34Å; V34-L109 HydrophobicContact CG1-CD1 3.46Å; V34-L109 VanDerWaalsContact CG1-CD1 3.46Å; V34-L109 HydrophobicContact CG1-CD2 4.17Å; V34-L109 HydrophobicContact CG1-CG 3.82Å; V34-L109 HydrophobicContact CG2-CD2 4.22Å; T35-L109 HydrophobicContact CG2-CD1 3.74Å; L51-L109 HydrophobicContact CD1-CD2 4.13Å; G105-L109 PolarHBondContact O-N 2.69Å; I106-L109 HydrophobicContact CD1-CB 4.42Å; I106-L109 HydrophobicContact CD1-CD2 4.29Å; I106-L109 PolarHBondContact O-N 3.49Å; I106-L109 VanDerWaalsContact O-N 3.15Å; L109-H113 PolarHBondContact O-N 3.37Å; L109-L114 HydrophobicContact CD2-CD1 4.14Å; L109-L114 HydrophobicContact CG-CD1 4.02Å; L109-L114 HydrophobicContact CG-CG 4.33Å; L109-L114 PolarHBondContact O-N 2.97Å; L109-L114 VanDerWaalsContact O-N 3.17Å
110L98.3Very high97.2Very high0 Ų040.7 Ų40.70%026%0.259CS..Iπ-helixtrans-59.4-50.3175.4-74.3164.6000111.3I106 L107 K108 L114 I115 Y127 M130 K131I106-L110 HydrophobicContact CD1-CD1 4.41Å; I106-L110 HydrophobicContact CD1-CG 4.15Å; I106-L110 HydrophobicContact CG1-CD1 3.91Å; I106-L110 HydrophobicContact CG1-CG 4.19Å; I106-L110 WeakPolarHBondContact O-CB 3.46Å; I106-L110 VanDerWaalsContact O-CG 3.23Å; I106-L110 WeakPolarHBondContact O-CG 3.25Å; I106-L110 PolarHBondContact O-N 3.39Å; L107-L110 HydrophobicContact CD2-CD1 4.45Å; L107-L110 PolarHBondContact O-N 3.44Å; K108-L110 VanDerWaalsContact C-N 3.35Å; L110-L114 HydrophobicContact CD2-CB 4.27Å; L110-L114 HydrophobicContact CD2-CD1 3.82Å; L110-L114 HydrophobicContact CG-CD1 4.23Å; L110-L114 PolarHBondContact O-N 3Å; L110-I115 HydrophobicContact CB-CD1 4.06Å; L110-I115 HydrophobicContact CB-CG1 4.41Å; L110-I115 WeakPolarHBondContact O-CB 3.25Å; L110-I115 WeakPolarHBondContact O-CG1 3.48Å; L110-I115 PolarHBondContact O-N 3.47Å; L110-Y127 HydrophobicContact CD2-CD1 3.82Å; L110-Y127 HydrophobicContact CD2-CG 4.09Å; L110-M130 HydrophobicContact CD1-CB 4.43Å; L110-M130 HydrophobicContact CD1-CG 4.15Å; L110-M130 HydrophobicContact CD2-CB 4.44Å; L110-M130 HydrophobicContact CD2-SD 4.24Å; L110-K131 HydrophobicContact CD1-CB 3.99Å
111D97.9Very high97.1Very high80 Ų8041.5 Ų41.543%0.42827%0.265SS..Iπ-helixtrans-73.2-33.1-174.9-74.5-16000113.5L107 K108 P116 K131L107-D111 WeakPolarHBondContact O-CB 3.28Å; L107-D111 PolarHBondContact O-N 3.4Å; K108-D111 PolarHBondContact O-N 3.45Å; D111-P116 VanDerWaalsContact O-CG 3.31Å; D111-P116 WeakPolarHBondContact O-CG 3.33Å; D111-K131 WeakPolarHBondContact OD1-CE 3.47Å; D111-K131 IonicContact OD1-NZ 3.85Å; D111-K131 PolarHBondContact OD1-NZ 2.85Å; D111-K131 IonicContact OD2-NZ 2.74Å; D111-K131 PolarHBondContact OD2-NZ 2.93Å
112S95.5Very high97.1Very high60 Ų6040.4 Ų40.442%0.4225%0.25SC..Iπ-helixtrans-93.6-26-174.756.50000114.8K108K108-S112 WeakPolarHBondContact O-CB 3.39Å; K108-S112 PolarHBondContact O-N 3.41Å; K108-S112 PolarHBondContact O-OG 3.44Å
113H95.8Very high97Very high45 Ų4539.5 Ų39.521%0.20825%0.245CC..Iπ-helixtrans-127.3-59.9-174.4-60.572.9000111.5V34 L109 P116 S117V34-H113 HydrophobicContact CG1-CB 3.55Å; L109-H113 PolarHBondContact O-N 3.37Å; H113-P116 WeakPolarHBondContact O-CD 3.43Å; H113-S117 VanDerWaalsContact O-CB 3.23Å; H113-S117 WeakPolarHBondContact O-CB 3.31Å; H113-S117 PolarHBondContact O-N 2.96Å; H113-S117 PolarHBondContact O-OG 3.34Å
114L97.4Very high97Very high1 Ų143.1 Ų43.11%0.00526%0.26CS..Iπ-helixtrans-74.2-45.6-162.2-57.2166.8000114.1V34 L43 L51 I106 L109 L110 S117 A118 Y127V34-L114 HydrophobicContact CG1-CD2 3.75Å; V34-L114 HydrophobicContact CG1-CG 4.17Å; V34-L114 HydrophobicContact CG2-CD2 3.89Å; L43-L114 HydrophobicContact CD1-CD2 3.64Å; L43-L114 HydrophobicContact CG-CD2 3.97Å; L51-L114 HydrophobicContact CD2-CD1 3.52Å; L51-L114 HydrophobicContact CD2-CD2 4.26Å; I106-L114 HydrophobicContact CD1-CD1 4.46Å; L109-L114 HydrophobicContact CD2-CD1 4.14Å; L109-L114 HydrophobicContact CG-CD1 4.02Å; L109-L114 HydrophobicContact CG-CG 4.33Å; L109-L114 PolarHBondContact O-N 2.97Å; L109-L114 VanDerWaalsContact O-N 3.17Å; L110-L114 HydrophobicContact CD2-CB 4.27Å; L110-L114 HydrophobicContact CD2-CD1 3.82Å; L110-L114 HydrophobicContact CG-CD1 4.23Å; L110-L114 PolarHBondContact O-N 3Å; L114-S117 PolarHBondContact O-OG 3.48Å; L114-A118 WeakPolarHBondContact O-CB 3.32Å; L114-A118 PolarHBondContact O-N 3.3Å; L114-Y127 HydrophobicContact CB-CD1 3.97Å; L114-Y127 HydrophobicContact CB-CD2 4.01Å; L114-Y127 HydrophobicContact CB-CE1 4Å; L114-Y127 HydrophobicContact CB-CE2 4.03Å; L114-Y127 HydrophobicContact CB-CG 4.01Å; L114-Y127 HydrophobicContact CD1-CD1 4.3Å; L114-Y127 HydrophobicContact CD1-CE1 4.2Å; L114-Y127 HydrophobicContact CD2-CE1 4.23Å; L114-Y127 HydrophobicContact CG-CE1 4.38Å; L114-Y127 WeakPolarHBondContact O-CD2 3.46Å; L114-Y127 WeakPolarHBondContact O-CE2 3.3Å
115I97.6Very high97Very high42 Ų4239.9 Ų39.922%0.21524%0.238CC..Hα-helixtrans-67.7-46.3177.5-64.3168.5000110.3L110 S117 A118 L128 K131L110-I115 HydrophobicContact CB-CD1 4.06Å; L110-I115 HydrophobicContact CB-CG1 4.41Å; L110-I115 WeakPolarHBondContact O-CB 3.25Å; L110-I115 WeakPolarHBondContact O-CG1 3.48Å; L110-I115 PolarHBondContact O-N 3.47Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.1Å; I115-A118 PolarHBondContact O-N 2.97Å; I115-L128 HydrophobicContact CD1-CD2 4.12Å; I115-K131 HydrophobicContact CD1-CD 3.98Å
116P96.2Very high97.1Very high92 Ų9240 Ų4060%0.59723%0.231SC*.Hα-helixtrans-60.5-34.9174.9-26.435.5000114.6D111 H113D111-P116 VanDerWaalsContact O-CG 3.31Å; D111-P116 WeakPolarHBondContact O-CG 3.33Å; H113-P116 WeakPolarHBondContact O-CD 3.43Å
117S95.1Very high97.1Very high21 Ų2140 Ų4015%0.14723%0.231CC..Hα-helixtrans-82.6-9.7-179.568.10000114E42 H113 L114 I115 G119E42-S117 WeakPolarHBondContact CB-O 3.48Å; H113-S117 VanDerWaalsContact O-CB 3.23Å; H113-S117 WeakPolarHBondContact O-CB 3.31Å; H113-S117 PolarHBondContact O-N 2.96Å; H113-S117 PolarHBondContact O-OG 3.34Å; L114-S117 PolarHBondContact O-OG 3.48Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.1Å; S117-G119 PolarHBondContact O-N 2.88Å; S117-G119 VanDerWaalsContact O-N 3.12Å
118A96Very high97.1Very high7 Ų740.3 Ų40.36%0.05823%0.233CC..  trans-74103.4-176.200000111.3L114 I115 K124 Y127L114-A118 WeakPolarHBondContact O-CB 3.32Å; L114-A118 PolarHBondContact O-N 3.3Å; I115-A118 PolarHBondContact O-N 2.97Å; A118-K124 HydrophobicContact CB-CG 3.68Å; A118-K124 WeakPolarHBondContact O-CE 3.03Å; A118-Y127 HydrophobicContact CB-CD2 3.89Å; A118-Y127 HydrophobicContact CB-CE2 4.07Å
119G94Very high97.1Very high50 Ų5034.5 Ų34.552%0.51521%0.208SC..  trans-77.7-49.5173.300000111.7E42 S117E42-G119 VanDerWaalsContact CD-N 3.33Å; E42-G119 PolarHBondContact OE1-N 2.86Å; E42-G119 WeakPolarHBondContact OE2-CA 3.39Å; E42-G119 PolarHBondContact OE2-N 2.92Å; S117-G119 PolarHBondContact O-N 2.88Å; S117-G119 VanDerWaalsContact O-N 3.12Å
120A95.6Very high97.2Very high45 Ų4534.5 Ų34.537%0.37221%0.208SC..SBendtrans-73.2141.3-177.300000112.5E42 E122 S123 K124E42-A120 PolarHBondContact OE1-N 3.02Å; A120-E122 PolarHBondContact O-N 3.25Å; A120-S123 PolarHBondContact O-N 3.29Å; A120-S123 VanDerWaalsContact O-N 3.14Å; A120-K124 PolarHBondContact O-N 3.24Å
121S97Very high97.2Very high38 Ų3836.6 Ų36.627%0.26622%0.217SC..Hα-helixtrans-57.5-34174.2-61.50000111.9K124 V125 D168S121-K124 PolarHBondContact O-N 2.96Å; S121-V125 WeakPolarHBondContact O-CG2 3.37Å; S121-V125 PolarHBondContact O-N 2.93Å; S121-D168 WeakPolarHBondContact CB-OD2 3.37Å; S121-D168 PolarHBondContact OG-OD2 2.98Å
122E96.9Very high97.3Very high62 Ų6232.8 Ų32.829%0.2920%0.196SC..Hα-helixtrans-58.5-51.5173.9-165.7-171.9108.600113.1R48 A120 K124 V125 F126 M169 H173 I175R48-E122 IonicContact CZ-OE1 3.65Å; R48-E122 VanDerWaalsContact CZ-OE1 3.27Å; R48-E122 IonicContact NH1-OE1 3.76Å; R48-E122 PolarHBondContact NH1-OE1 3.16Å; R48-E122 IonicContact NH2-OE1 2.93Å; R48-E122 PolarHBondContact NH2-OE1 3.43Å; A120-E122 PolarHBondContact O-N 3.25Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.22Å; E122-V125 PolarHBondContact O-N 3.18Å; E122-F126 WeakPolarHBondContact O-CB 3.23Å; E122-F126 PolarHBondContact O-N 3.43Å; E122-M169 HydrophobicContact CB-CE 4.05Å; E122-M169 HydrophobicContact CG-CE 4.03Å; E122-H173 IonicContact OE2-CE1 2.8Å; E122-H173 IonicContact OE2-NE2 3.37Å; E122-H173 PolarHBondContact OE2-NE2 3.1Å; E122-I175 HydrophobicContact CG-CD1 3.37Å
123S97.5Very high97.4Very high8 Ų830.5 Ų30.56%0.05618%0.18CC..Hα-helixtrans-60.4-41.9177.1-59.60000111.6E42 A120 F126 Y127E42-S123 WeakPolarHBondContact OE1-CB 3.37Å; E42-S123 PolarHBondContact OE1-OG 3.15Å; A120-S123 PolarHBondContact O-N 3.29Å; A120-S123 VanDerWaalsContact O-N 3.14Å; S123-F126 WeakPolarHBondContact O-CB 3.17Å; S123-F126 PolarHBondContact O-N 3.38Å; S123-Y127 WeakPolarHBondContact O-CD2 3.4Å; S123-Y127 PolarHBondContact O-N 2.93Å
124K98.2Very high97.6Very high75 Ų7528.7 Ų28.733%0.32617%0.171SC..Hα-helixtrans-61-50.9177.9-68.5175.7-172.3169.50111.9A118 A120 S121 E122 F126 Y127 L128 I164A118-K124 HydrophobicContact CB-CG 3.68Å; A118-K124 WeakPolarHBondContact O-CE 3.03Å; A120-K124 PolarHBondContact O-N 3.24Å; S121-K124 PolarHBondContact O-N 2.96Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.22Å; K124-F126 VanDerWaalsContact C-N 3.29Å; K124-F126 PolarHBondContact O-N 3.41Å; K124-Y127 PolarHBondContact O-N 2.96Å; K124-L128 WeakPolarHBondContact O-CB 3.13Å; K124-L128 VanDerWaalsContact O-CG 3.27Å; K124-L128 WeakPolarHBondContact O-CG 3.3Å; K124-L128 PolarHBondContact O-N 2.86Å; K124-I164 HydrophobicContact CB-CD1 4.1Å; K124-I164 HydrophobicContact CD-CD1 4.49Å
125V98.7Very high97.6Very high0 Ų029.6 Ų29.60%018%0.175CC..Hα-helixtrans-62.3-41.1178.7178.10000110.3S121 E122 K129 A161 I164 A165 M169 I175 L179S121-V125 WeakPolarHBondContact O-CG2 3.37Å; S121-V125 PolarHBondContact O-N 2.93Å; E122-V125 PolarHBondContact O-N 3.18Å; V125-K129 WeakPolarHBondContact O-CB 3.44Å; V125-K129 PolarHBondContact O-N 2.72Å; V125-A161 HydrophobicContact CG1-CB 4.32Å; V125-I164 HydrophobicContact CG2-CB 3.73Å; V125-I164 HydrophobicContact CG2-CG2 3.53Å; V125-A165 HydrophobicContact CG1-CB 3.94Å; V125-A165 HydrophobicContact CG2-CB 4.02Å; V125-M169 HydrophobicContact CB-CE 3.64Å; V125-M169 HydrophobicContact CB-SD 4.32Å; V125-M169 HydrophobicContact CG1-CE 4.12Å; V125-M169 HydrophobicContact CG1-SD 4.19Å; V125-M169 HydrophobicContact CG2-CE 3.66Å; V125-M169 HydrophobicContact CG2-SD 4.22Å; V125-I175 HydrophobicContact CB-CG2 4.12Å; V125-I175 HydrophobicContact CG1-CG2 3.59Å; V125-L179 HydrophobicContact CG1-CD2 4.21Å
126F98.4Very high97.7Very high27 Ų2728.1 Ų28.112%0.11817%0.167CC..Hα-helixtrans-58.2-51.4177.3-173.3-82.7000112R48 E122 S123 K124 M130 I175R48-F126 VanDerWaalsContact CD-CD1 3.49Å; R48-F126 HydrophobicContact CG-CD1 3.57Å; R48-F126 HydrophobicContact CG-CD2 4.47Å; R48-F126 HydrophobicContact CG-CE1 3.34Å; R48-F126 HydrophobicContact CG-CE2 4.28Å; R48-F126 HydrophobicContact CG-CG 4.14Å; R48-F126 HydrophobicContact CG-CZ 3.71Å; E122-F126 WeakPolarHBondContact O-CB 3.23Å; E122-F126 PolarHBondContact O-N 3.43Å; S123-F126 WeakPolarHBondContact O-CB 3.17Å; S123-F126 PolarHBondContact O-N 3.38Å; K124-F126 VanDerWaalsContact C-N 3.29Å; K124-F126 PolarHBondContact O-N 3.41Å; F126-M130 HydrophobicContact CE1-CE 3.95Å; F126-M130 HydrophobicContact CZ-CE 4.41Å; F126-M130 WeakPolarHBondContact O-CB 3.49Å; F126-M130 PolarHBondContact O-N 3.07Å; F126-I175 HydrophobicContact CB-CD1 4.36Å; F126-I175 HydrophobicContact CD2-CD1 3.89Å; F126-I175 HydrophobicContact CD2-CG1 4.27Å
127Y98.7Very high97.8Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-71.7-37.5-178-63.3-45.2000112.9L43 R48 L110 L114 A118 S123 K124 M130 K131L43-Y127 WeakPolarHBondContact CB-OH 3.45Å; R48-Y127 HydrophobicContact CG-CE1 3.88Å; L110-Y127 HydrophobicContact CD2-CD1 3.82Å; L110-Y127 HydrophobicContact CD2-CG 4.09Å; L114-Y127 HydrophobicContact CB-CD1 3.97Å; L114-Y127 HydrophobicContact CB-CD2 4.01Å; L114-Y127 HydrophobicContact CB-CE1 4Å; L114-Y127 HydrophobicContact CB-CE2 4.03Å; L114-Y127 HydrophobicContact CB-CG 4.01Å; L114-Y127 HydrophobicContact CD1-CD1 4.3Å; L114-Y127 HydrophobicContact CD1-CE1 4.2Å; L114-Y127 HydrophobicContact CD2-CE1 4.23Å; L114-Y127 HydrophobicContact CG-CE1 4.38Å; L114-Y127 WeakPolarHBondContact O-CD2 3.46Å; L114-Y127 WeakPolarHBondContact O-CE2 3.3Å; A118-Y127 HydrophobicContact CB-CD2 3.89Å; A118-Y127 HydrophobicContact CB-CE2 4.07Å; S123-Y127 WeakPolarHBondContact O-CD2 3.4Å; S123-Y127 PolarHBondContact O-N 2.93Å; K124-Y127 PolarHBondContact O-N 2.96Å; Y127-M130 PolarHBondContact O-N 3.44Å; Y127-K131 WeakPolarHBondContact O-CB 3.31Å; Y127-K131 PolarHBondContact O-N 2.89Å
128L98.8Very high97.9Very high25 Ų2525.2 Ų25.213%0.13114%0.142CC..Hα-helixtrans-67.5-40.3175.3-71.5167.5000111.7I115 K124 M130 K131 G132 A160 A161 I164I115-L128 HydrophobicContact CD1-CD2 4.12Å; K124-L128 WeakPolarHBondContact O-CB 3.13Å; K124-L128 VanDerWaalsContact O-CG 3.27Å; K124-L128 WeakPolarHBondContact O-CG 3.3Å; K124-L128 PolarHBondContact O-N 2.86Å; L128-M130 VanDerWaalsContact C-N 3.34Å; L128-K131 WeakPolarHBondContact O-CB 3.38Å; L128-K131 PolarHBondContact O-N 3.12Å; L128-G132 PolarHBondContact O-N 3.44Å; L128-A160 HydrophobicContact CD1-CB 4.06Å; L128-A160 HydrophobicContact CD2-CB 4.3Å; L128-A161 HydrophobicContact CB-CB 3.7Å; L128-I164 HydrophobicContact CD1-CD1 3.71Å
129K98.6Very high98.1Very high37 Ų3724.9 Ų24.916%0.16114%0.14CC..Hα-helixtrans-59.2-47.2170.8178.4-169.2170.1-67.70110.6V125 K131 G132 D133 Y158 G178 L179 N182V125-K129 WeakPolarHBondContact O-CB 3.44Å; V125-K129 PolarHBondContact O-N 2.72Å; K129-K131 VanDerWaalsContact C-N 3.34Å; K129-K131 PolarHBondContact O-N 3.35Å; K129-G132 PolarHBondContact O-N 2.93Å; K129-D133 IonicContact NZ-OD2 3.29Å; K129-D133 PolarHBondContact NZ-OD2 3.49Å; K129-D133 VanDerWaalsContact O-CG 3.28Å; K129-D133 PolarHBondContact O-N 2.82Å; K129-Y158 HydrophobicContact CG-CE1 4.34Å; K129-Y158 WeakPolarHBondContact O-CE1 3.48Å; K129-G178 WeakPolarHBondContact CE-O 3.31Å; K129-L179 HydrophobicContact CB-CD1 4.11Å; K129-L179 HydrophobicContact CD-CB 4.09Å; K129-L179 HydrophobicContact CG-CB 4.32Å; K129-L179 HydrophobicContact CG-CD1 4.02Å; K129-N182 WeakPolarHBondContact CE-ND2 3.11Å; K129-N182 PolarHBondContact NZ-ND2 3.19Å
130M98.6Very high98.2Very high9 Ų924.6 Ų24.64%0.04413%0.125CC..Hα-helixtrans-60.2-43.7177.4-173.5177.3-95.400111.2S52 I106 L110 F126 Y127 L128 G132 D133 Y134S52-M130 WeakPolarHBondContact OG-CE 3.42Å; I106-M130 HydrophobicContact CD1-SD 4.11Å; I106-M130 HydrophobicContact CG1-SD 4.16Å; L110-M130 HydrophobicContact CD1-CB 4.43Å; L110-M130 HydrophobicContact CD1-CG 4.15Å; L110-M130 HydrophobicContact CD2-CB 4.44Å; L110-M130 HydrophobicContact CD2-SD 4.24Å; F126-M130 HydrophobicContact CE1-CE 3.95Å; F126-M130 HydrophobicContact CZ-CE 4.41Å; F126-M130 WeakPolarHBondContact O-CB 3.49Å; F126-M130 PolarHBondContact O-N 3.07Å; Y127-M130 PolarHBondContact O-N 3.44Å; L128-M130 VanDerWaalsContact C-N 3.34Å; M130-G132 VanDerWaalsContact C-N 3.33Å; M130-G132 PolarHBondContact O-N 3.39Å; M130-D133 WeakPolarHBondContact O-CB 3.46Å; M130-D133 PolarHBondContact O-N 3.22Å; M130-D133 VanDerWaalsContact O-N 3.1Å; M130-Y134 HydrophobicContact CG-CD2 3.81Å; M130-Y134 HydrophobicContact CG-CE2 3.58Å; M130-Y134 VanDerWaalsContact O-CD2 3.23Å; M130-Y134 WeakPolarHBondContact O-CD2 3.48Å; M130-Y134 PolarHBondContact O-N 3.37Å; M130-Y134 HydrophobicContact SD-CE2 4.3Å
131K98.9Very high98.2Very high45 Ų4523 Ų2320%0.19611%0.109CC..Hα-helixtrans-55.4-48.1173.8-176.8170-176.7169.20111.4L107 L110 D111 I115 Y127 L128 K129 D133 Y134 H135 A157L107-K131 HydrophobicContact CD2-CB 4.48Å; L107-K131 HydrophobicContact CD2-CG 3.82Å; L110-K131 HydrophobicContact CD1-CB 3.99Å; D111-K131 WeakPolarHBondContact OD1-CE 3.47Å; D111-K131 IonicContact OD1-NZ 3.85Å; D111-K131 PolarHBondContact OD1-NZ 2.85Å; D111-K131 IonicContact OD2-NZ 2.74Å; D111-K131 PolarHBondContact OD2-NZ 2.93Å; I115-K131 HydrophobicContact CD1-CD 3.98Å; Y127-K131 WeakPolarHBondContact O-CB 3.31Å; Y127-K131 PolarHBondContact O-N 2.89Å; L128-K131 WeakPolarHBondContact O-CB 3.38Å; L128-K131 PolarHBondContact O-N 3.12Å; K129-K131 VanDerWaalsContact C-N 3.34Å; K129-K131 PolarHBondContact O-N 3.35Å; K131-D133 VanDerWaalsContact C-N 3.34Å; K131-D133 PolarHBondContact O-N 2.7Å; K131-Y134 PolarHBondContact O-N 2.97Å; K131-H135 PolarHBondContact O-CD2 3.44Å; K131-H135 VanDerWaalsContact O-CD2 3.3Å; K131-H135 PolarHBondContact O-N 3.23Å; K131-H135 VanDerWaalsContact O-N 3.07Å; K131-A157 HydrophobicContact CB-CB 4.16Å; K131-A157 HydrophobicContact CD-CB 4.39Å; K131-A157 HydrophobicContact CG-CB 4.01Å
132G98.9Very high98.3Very high0 Ų023.2 Ų23.20%011%0.106CC..Hα-helixtrans-59.8-41.6174.800000112.7L128 K129 M130 Y134 R136L128-G132 PolarHBondContact O-N 3.44Å; K129-G132 PolarHBondContact O-N 2.93Å; M130-G132 VanDerWaalsContact C-N 3.33Å; M130-G132 PolarHBondContact O-N 3.39Å; G132-Y134 PolarHBondContact O-N 3.39Å; G132-R136 VanDerWaalsContact O-CB 3.23Å; G132-R136 WeakPolarHBondContact O-CB 3.17Å; G132-R136 PolarHBondContact O-N 3Å
133D98.7Very high98.2Very high12 Ų1224.7 Ų24.76%0.06412%0.122CC..Hα-helixtrans-58.9-45.4177.1-69.6-32.7000112.2K129 M130 K131 R136 Y137 Y158 N182K129-D133 IonicContact NZ-OD2 3.29Å; K129-D133 PolarHBondContact NZ-OD2 3.49Å; K129-D133 VanDerWaalsContact O-CG 3.28Å; K129-D133 PolarHBondContact O-N 2.82Å; M130-D133 WeakPolarHBondContact O-CB 3.46Å; M130-D133 PolarHBondContact O-N 3.22Å; M130-D133 VanDerWaalsContact O-N 3.1Å; K131-D133 VanDerWaalsContact C-N 3.34Å; K131-D133 PolarHBondContact O-N 2.7Å; D133-R136 WeakPolarHBondContact O-CB 3.48Å; D133-R136 PolarHBondContact O-N 3.34Å; D133-R136 IonicContact OD1-NH2 2.73Å; D133-Y137 HydrophobicContact CB-CE2 4.25Å; D133-Y137 VanDerWaalsContact O-CD1 3.28Å; D133-Y137 WeakPolarHBondContact O-CD1 3.45Å; D133-Y137 WeakPolarHBondContact O-CD2 3.43Å; D133-Y137 WeakPolarHBondContact O-CE2 3.49Å; D133-Y137 PolarHBondContact O-N 3.02Å; D133-Y158 WeakPolarHBondContact CA-OH 3.44Å; D133-Y158 PolarHBondContact N-OH 3.44Å; D133-Y158 PolarHBondContact OD1-OH 3.15Å; D133-N182 WeakPolarHBondContact OD1-CB 3.5Å; D133-N182 PolarHBondContact OD1-ND2 3.42Å; D133-N182 PolarHBondContact OD2-ND2 3.06Å
134Y98.8Very high98.2Very high7 Ų727.1 Ų27.13%0.02715%0.149CC..Hα-helixtrans-75-36.8-179-75.6-81.3000113.7Y55 I59 C103 I106 M130 K131 G132 R136 Y137 M138Y55-Y134 WeakPolarHBondContact CB-OH 3.44Å; I59-Y134 HydrophobicContact CB-CE1 4.01Å; I59-Y134 HydrophobicContact CD1-CE1 4.3Å; I59-Y134 HydrophobicContact CG1-CD1 4.46Å; I59-Y134 HydrophobicContact CG1-CE1 3.96Å; I59-Y134 HydrophobicContact CG2-CE1 4.01Å; C103-Y134 HydrophobicContact CB-CD1 4.42Å; I106-Y134 HydrophobicContact CG1-CD2 4.13Å; I106-Y134 HydrophobicContact CG1-CE2 4.02Å; I106-Y134 HydrophobicContact CG2-CD1 3.41Å; I106-Y134 VanDerWaalsContact CG2-CD1 3.41Å; I106-Y134 HydrophobicContact CG2-CD2 3.56Å; I106-Y134 HydrophobicContact CG2-CE1 3.72Å; I106-Y134 HydrophobicContact CG2-CE2 3.88Å; I106-Y134 HydrophobicContact CG2-CG 3.36Å; M130-Y134 HydrophobicContact CG-CD2 3.81Å; M130-Y134 HydrophobicContact CG-CE2 3.58Å; M130-Y134 VanDerWaalsContact O-CD2 3.23Å; M130-Y134 WeakPolarHBondContact O-CD2 3.48Å; M130-Y134 PolarHBondContact O-N 3.37Å; M130-Y134 HydrophobicContact SD-CE2 4.3Å; K131-Y134 PolarHBondContact O-N 2.97Å; G132-Y134 PolarHBondContact O-N 3.39Å; Y134-R136 VanDerWaalsContact C-N 3.26Å; Y134-R136 PolarHBondContact O-N 3.03Å; Y134-Y137 AromaticContact CD1-CD2 3.85Å; Y134-Y137 HydrophobicContact CD1-CD2 3.85Å; Y134-Y137 HydrophobicContact CD1-CE2 4.25Å; Y134-Y137 HydrophobicContact CE1-CD2 4.11Å; Y134-Y137 HydrophobicContact CE1-CE2 4.19Å; Y134-Y137 HydrophobicContact CG-CD2 4.3Å; Y134-Y137 PolarHBondContact O-N 3Å; Y134-M138 WeakPolarHBondContact O-CG 3.38Å; Y134-M138 PolarHBondContact O-N 3.07Å
135H98.8Very high98.1Very high20 Ų2029.9 Ų29.99%0.09317%0.167CC..Hα-helixtrans-63.2-36.3169.2-79.3-74.6000111.6L107 K131 Y137 M138 A139 D153 T154L107-H135 VanDerWaalsContact CD2-CD2 3.45Å; L107-H135 WeakPolarHBondContact CD2-CD2 3.26Å; K131-H135 PolarHBondContact O-CD2 3.44Å; K131-H135 VanDerWaalsContact O-CD2 3.3Å; K131-H135 PolarHBondContact O-N 3.23Å; K131-H135 VanDerWaalsContact O-N 3.07Å; H135-Y137 VanDerWaalsContact C-N 3.34Å; H135-Y137 PolarHBondContact O-N 3.02Å; H135-M138 WeakPolarHBondContact O-CB 3.37Å; H135-M138 PolarHBondContact O-N 3.32Å; H135-A139 PolarHBondContact O-N 3.45Å; H135-D153 HydrophobicContact CB-CB 4.15Å; H135-D153 VanDerWaalsContact CE1-CB 3.45Å; H135-D153 WeakPolarHBondContact CE1-CB 3.23Å; H135-D153 IonicContact CE1-OD2 2.74Å; H135-D153 PolarHBondContact CE1-OD2 3.28Å; H135-D153 VanDerWaalsContact ND1-CB 3.33Å; H135-D153 WeakPolarHBondContact ND1-CB 3.44Å; H135-D153 IonicContact ND1-OD2 3.06Å; H135-D153 PolarHBondContact ND1-OD2 3.27Å; H135-T154 VanDerWaalsContact CB-OG1 3.29Å; H135-T154 WeakPolarHBondContact CB-OG1 3.29Å; H135-T154 PolarHBondContact O-OG1 2.96Å
136R98.7Very high98.1Very high11 Ų1135.3 Ų35.34%0.04219%0.193CC..Hα-helixtrans-63.6-41.4176-176.1171.96291-8.4111.7G132 D133 Y134 M138 A139 E140 T154 Y158 F186 E189 I190G132-R136 VanDerWaalsContact O-CB 3.23Å; G132-R136 WeakPolarHBondContact O-CB 3.17Å; G132-R136 PolarHBondContact O-N 3Å; D133-R136 WeakPolarHBondContact O-CB 3.48Å; D133-R136 PolarHBondContact O-N 3.34Å; D133-R136 IonicContact OD1-NH2 2.73Å; Y134-R136 VanDerWaalsContact C-N 3.26Å; Y134-R136 PolarHBondContact O-N 3.03Å; R136-M138 VanDerWaalsContact C-N 3.31Å; R136-A139 PolarHBondContact O-N 3.06Å; R136-E140 PolarHBondContact O-N 3.19Å; R136-E140 VanDerWaalsContact O-N 3.15Å; R136-T154 WeakPolarHBondContact CA-OG1 3.34Å; R136-T154 HydrophobicContact CB-CG2 3.78Å; R136-T154 HydrophobicContact CG-CG2 4.41Å; R136-T154 PolarHBondContact N-OG1 3.12Å; R136-Y158 PolarHBondContact NE-OH 2.95Å; R136-Y158 VanDerWaalsContact NE-OH 3.11Å; R136-F186 HydrophobicContact CG-CD2 4.16Å; R136-E189 IonicContact NH1-OE2 2.64Å; R136-I190 HydrophobicContact CG-CG1 3.95Å
137Y98.5Very high98.1Very high26 Ų2638.9 Ų38.910%0.10221%0.205CC..Hα-helixtrans-62.8-39.8175.1-55.9-27.5000111.3I59 R63 D133 Y134 H135 A139 E140 F141I59-Y137 HydrophobicContact CG1-CD2 3.79Å; I59-Y137 HydrophobicContact CG1-CE2 4.27Å; I59-Y137 HydrophobicContact CG2-CD2 4.31Å; I59-Y137 HydrophobicContact CG2-CE2 3.93Å; R63-Y137 VanDerWaalsContact CZ-CE1 3.45Å; R63-Y137 VanDerWaalsContact NH1-CE1 3.32Å; D133-Y137 HydrophobicContact CB-CE2 4.25Å; D133-Y137 VanDerWaalsContact O-CD1 3.28Å; D133-Y137 WeakPolarHBondContact O-CD1 3.45Å; D133-Y137 WeakPolarHBondContact O-CD2 3.43Å; D133-Y137 WeakPolarHBondContact O-CE2 3.49Å; D133-Y137 PolarHBondContact O-N 3.02Å; Y134-Y137 AromaticContact CD1-CD2 3.85Å; Y134-Y137 HydrophobicContact CD1-CD2 3.85Å; Y134-Y137 HydrophobicContact CD1-CE2 4.25Å; Y134-Y137 HydrophobicContact CE1-CD2 4.11Å; Y134-Y137 HydrophobicContact CE1-CE2 4.19Å; Y134-Y137 HydrophobicContact CG-CD2 4.3Å; Y134-Y137 PolarHBondContact O-N 3Å; H135-Y137 VanDerWaalsContact C-N 3.34Å; H135-Y137 PolarHBondContact O-N 3.02Å; Y137-A139 VanDerWaalsContact C-N 3.35Å; Y137-A139 PolarHBondContact O-N 3.34Å; Y137-E140 VanDerWaalsContact O-CB 3.32Å; Y137-E140 WeakPolarHBondContact O-CB 3.43Å; Y137-E140 PolarHBondContact O-N 2.93Å; Y137-F141 WeakPolarHBondContact O-CD1 3.23Å; Y137-F141 VanDerWaalsContact O-CE1 3.28Å; Y137-F141 WeakPolarHBondContact O-CE1 3.47Å
138M98.5Very high98.1Very high26 Ų2644.7 Ų44.713%0.12823%0.231CC..Hα-helixtrans-59.3-44.9171.4-66.1-66.7-72.700111.6C103 Y134 H135 R136 E140 F141 K142 A150C103-M138 HydrophobicContact CB-CG 3.74Å; C103-M138 HydrophobicContact CB-SD 3.47Å; C103-M138 WeakPolarHBondContact CB-SD 3.39Å; Y134-M138 WeakPolarHBondContact O-CG 3.38Å; Y134-M138 PolarHBondContact O-N 3.07Å; H135-M138 WeakPolarHBondContact O-CB 3.37Å; H135-M138 PolarHBondContact O-N 3.32Å; R136-M138 VanDerWaalsContact C-N 3.31Å; M138-E140 PolarHBondContact O-N 3.45Å; M138-E140 VanDerWaalsContact O-N 3.17Å; M138-F141 HydrophobicContact CE-CZ 4.3Å; M138-F141 PolarHBondContact O-N 3.35Å; M138-F141 HydrophobicContact SD-CE1 3.96Å; M138-F141 HydrophobicContact SD-CZ 3.53Å; M138-F141 VanDerWaalsContact SD-CZ 3.53Å; M138-K142 HydrophobicContact CB-CG 4.48Å; M138-K142 HydrophobicContact CE-CD 4.43Å; M138-K142 HydrophobicContact CE-CG 4.13Å; M138-K142 WeakPolarHBondContact O-CB 3.04Å; M138-K142 WeakPolarHBondContact O-CG 3.32Å; M138-K142 PolarHBondContact O-N 2.88Å; M138-A150 HydrophobicContact CB-CB 3.86Å
139A98.4Very high98Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-65.9-16179.400000114.3H135 R136 Y137 R147 A150 A151 I190H135-A139 PolarHBondContact O-N 3.45Å; R136-A139 PolarHBondContact O-N 3.06Å; Y137-A139 VanDerWaalsContact C-N 3.35Å; Y137-A139 PolarHBondContact O-N 3.34Å; A139-R147 WeakPolarHBondContact O-CG 3.32Å; A139-R147 PolarHBondContact O-NE 2.75Å; A139-A150 HydrophobicContact CB-CB 3.82Å; A139-A151 HydrophobicContact CB-CB 4.4Å; A139-I190 HydrophobicContact CB-CD1 4.38Å; A139-I190 HydrophobicContact CB-CG2 3.9Å
140E96.9Very high98Very high43 Ų4345.4 Ų45.420%0.20124%0.24CC..Hα-helixtrans-72.9-41.4178.6-170.117917800112.2R63 W66 R67 R136 Y137 M138 I190R63-E140 IonicContact CZ-OE2 3.68Å; R63-E140 IonicContact NE-OE2 3.89Å; R63-E140 PolarHBondContact NE-OE2 2.87Å; R63-E140 IonicContact NH2-OE1 3.42Å; R63-E140 IonicContact NH2-OE2 3.67Å; R63-E140 PolarHBondContact NH2-OE2 2.97Å; W66-E140 HydrophobicContact CH2-CG 4.01Å; W66-E140 WeakPolarHBondContact CH2-O 3.47Å; W66-E140 HydrophobicContact CZ3-CG 3.69Å; R67-E140 IonicContact CZ-OE1 3.2Å; R67-E140 IonicContact NE-OE1 3.79Å; R67-E140 PolarHBondContact NE-OE1 3.46Å; R67-E140 IonicContact NH2-OE1 3.47Å; R67-E140 PolarHBondContact NH2-OE1 3.02Å; R67-E140 IonicContact NH2-OE2 2.64Å; R67-E140 PolarHBondContact NH2-OE2 3.45Å; R136-E140 PolarHBondContact O-N 3.19Å; R136-E140 VanDerWaalsContact O-N 3.15Å; Y137-E140 VanDerWaalsContact O-CB 3.32Å; Y137-E140 WeakPolarHBondContact O-CB 3.43Å; Y137-E140 PolarHBondContact O-N 2.93Å; M138-E140 PolarHBondContact O-N 3.45Å; M138-E140 VanDerWaalsContact O-N 3.17Å; E140-I190 HydrophobicContact CB-CD1 4.39Å
141F96.3Very high98Very high12 Ų1245.7 Ų45.75%0.05324%0.244CC..Hα-helixtrans-113.2-20.4-173.569.3-93.6000114.3W66 E96 L99 S100 Y137 M138W66-F141 HydrophobicContact CD2-CB 4.02Å; W66-F141 HydrophobicContact CH2-CB 3.96Å; W66-F141 HydrophobicContact CZ2-CB 3.31Å; E96-F141 HydrophobicContact CB-CD2 3.84Å; E96-F141 HydrophobicContact CB-CE2 4Å; E96-F141 HydrophobicContact CG-CB 4.34Å; E96-F141 HydrophobicContact CG-CD2 3.68Å; E96-F141 HydrophobicContact CG-CE2 4.34Å; E96-F141 HydrophobicContact CG-CG 4.27Å; E96-F141 WeakPolarHBondContact O-CE2 3.28Å; L99-F141 HydrophobicContact CB-CD1 4.39Å; L99-F141 HydrophobicContact CB-CE1 3.69Å; L99-F141 HydrophobicContact CB-CE2 4.4Å; L99-F141 HydrophobicContact CB-CZ 3.69Å; L99-F141 HydrophobicContact CD1-CD1 3.9Å; L99-F141 HydrophobicContact CD1-CE1 4.04Å; L99-F141 HydrophobicContact CD1-CG 4.32Å; L99-F141 HydrophobicContact CG-CE1 4.39Å; S100-F141 WeakPolarHBondContact OG-CE2 3.06Å; S100-F141 WeakPolarHBondContact OG-CZ 3.43Å; Y137-F141 WeakPolarHBondContact O-CD1 3.23Å; Y137-F141 VanDerWaalsContact O-CE1 3.28Å; Y137-F141 WeakPolarHBondContact O-CE1 3.47Å; M138-F141 HydrophobicContact CE-CZ 4.3Å; M138-F141 PolarHBondContact O-N 3.35Å; M138-F141 HydrophobicContact SD-CE1 3.96Å; M138-F141 HydrophobicContact SD-CZ 3.53Å; M138-F141 VanDerWaalsContact SD-CZ 3.53Å
142K97.7Very high98Very high43 Ų4348.2 Ų48.219%0.18726%0.256CS..  trans-69.3160.4174.9-67.9-57.7-155.2152.30111.5S100 M138 E146 R147S100-K142 WeakPolarHBondContact OG-CE 3.49Å; M138-K142 HydrophobicContact CB-CG 4.48Å; M138-K142 HydrophobicContact CE-CD 4.43Å; M138-K142 HydrophobicContact CE-CG 4.13Å; M138-K142 WeakPolarHBondContact O-CB 3.04Å; M138-K142 WeakPolarHBondContact O-CG 3.32Å; M138-K142 PolarHBondContact O-N 2.88Å; K142-E146 HydrophobicContact CB-CB 4.05Å; K142-E146 HydrophobicContact CD-CB 4.45Å; K142-E146 VanDerWaalsContact CD-OE2 3.29Å; K142-E146 WeakPolarHBondContact CD-OE2 3.31Å; K142-E146 WeakPolarHBondContact CE-OE2 3.28Å; K142-E146 HydrophobicContact CG-CB 4.34Å; K142-E146 IonicContact NZ-OE1 2.72Å; K142-E146 PolarHBondContact NZ-OE1 3.34Å; K142-E146 IonicContact NZ-OE2 3.62Å; K142-E146 PolarHBondContact NZ-OE2 3.18Å; K142-R147 HydrophobicContact CB-CB 4.34Å; K142-R147 WeakPolarHBondContact O-CB 3.39Å; K142-R147 WeakPolarHBondContact O-CD 3.44Å
143S95.4Very high98Very high92 Ų9250.7 Ų50.764%0.64327%0.269SS*.  trans-129.4162.9-178.7-69.70000111.6E146 R147S143-E146 PolarHBondContact O-N 3.33Å; S143-R147 PolarHBondContact O-N 3.49Å
144G96.9Very high98Very high59 Ų5950.1 Ų50.161%0.60827%0.266SS*.Hα-helixtrans58.6-136.5176.300000113.5E146 R147 K148G144-E146 VanDerWaalsContact C-N 3.33Å; G144-E146 PolarHBondContact O-N 3.05Å; G144-R147 WeakPolarHBondContact O-CB 3.42Å; G144-R147 PolarHBondContact O-N 2.78Å; G144-K148 PolarHBondContact O-N 3.18Å
145D97.8Very high98Very high133 Ų13352.2 Ų52.271%0.71128%0.277SS*.Hα-helixtrans-64.2-36.2-177.5-67.7-27.6000112.6R147 K148 T149D145-R147 VanDerWaalsContact C-N 3.29Å; D145-R147 PolarHBondContact O-N 3.41Å; D145-K148 WeakPolarHBondContact O-CB 3.47Å; D145-K148 PolarHBondContact O-N 3.5Å; D145-K148 VanDerWaalsContact O-N 3.12Å; D145-T149 PolarHBondContact O-N 2.94Å; D145-T149 PolarHBondContact O-OG1 3.49Å
146E97.6Very high98Very high115 Ų11556.9 Ų56.954%0.53730%0.302SS..Hα-helixtrans-60.6-40.5177.2-63.7-169.8134.300111.6K142 S143 G144 A150K142-E146 HydrophobicContact CB-CB 4.05Å; K142-E146 HydrophobicContact CD-CB 4.45Å; K142-E146 VanDerWaalsContact CD-OE2 3.29Å; K142-E146 WeakPolarHBondContact CD-OE2 3.31Å; K142-E146 WeakPolarHBondContact CE-OE2 3.28Å; K142-E146 HydrophobicContact CG-CB 4.34Å; K142-E146 IonicContact NZ-OE1 2.72Å; K142-E146 PolarHBondContact NZ-OE1 3.34Å; K142-E146 IonicContact NZ-OE2 3.62Å; K142-E146 PolarHBondContact NZ-OE2 3.18Å; S143-E146 PolarHBondContact O-N 3.33Å; G144-E146 VanDerWaalsContact C-N 3.33Å; G144-E146 PolarHBondContact O-N 3.05Å; E146-A150 VanDerWaalsContact O-CB 3.31Å; E146-A150 WeakPolarHBondContact O-CB 3.49Å; E146-A150 PolarHBondContact O-N 3.43Å
147R98.1Very high98Very high101 Ų10156.7 Ų56.738%0.38130%0.302SS..Hα-helixtrans-64.2-42.8175.7-172.2179.1173.3-140.6-6.1111.4A139 K142 S143 G144 D145 A150 A151 I190A139-R147 WeakPolarHBondContact O-CG 3.32Å; A139-R147 PolarHBondContact O-NE 2.75Å; K142-R147 HydrophobicContact CB-CB 4.34Å; K142-R147 WeakPolarHBondContact O-CB 3.39Å; K142-R147 WeakPolarHBondContact O-CD 3.44Å; S143-R147 PolarHBondContact O-N 3.49Å; G144-R147 WeakPolarHBondContact O-CB 3.42Å; G144-R147 PolarHBondContact O-N 2.78Å; D145-R147 VanDerWaalsContact C-N 3.29Å; D145-R147 PolarHBondContact O-N 3.41Å; R147-A150 PolarHBondContact O-N 2.98Å; R147-A151 WeakPolarHBondContact O-CB 3.29Å; R147-A151 PolarHBondContact O-N 2.54Å; R147-I190 PolarHBondContact NH2-O 3.11Å
148K98.3Very high98Very high123 Ų12355.4 Ų55.454%0.53530%0.297SS..Hα-helixtrans-63.5-49.9-179.5-177.2-177.3170.5-172.10110.8G144 D145 A150 A151 E152G144-K148 PolarHBondContact O-N 3.18Å; D145-K148 WeakPolarHBondContact O-CB 3.47Å; D145-K148 PolarHBondContact O-N 3.5Å; D145-K148 VanDerWaalsContact O-N 3.12Å; K148-A150 VanDerWaalsContact C-N 3.34Å; K148-A150 PolarHBondContact O-N 3.03Å; K148-A151 PolarHBondContact O-N 3.04Å; K148-A151 VanDerWaalsContact O-N 3.17Å; K148-E152 WeakPolarHBondContact CE-OE1 3.42Å; K148-E152 WeakPolarHBondContact O-CG 3.35Å; K148-E152 PolarHBondContact O-N 3.37Å
149T98.6Very high98Very high72 Ų7258.1 Ų58.144%0.44231%0.308SS..Hα-helixtrans-58.2-46.2176-60.50000111.2D145 A151 E152 D153D145-T149 PolarHBondContact O-N 2.94Å; D145-T149 PolarHBondContact O-OG1 3.49Å; T149-A151 VanDerWaalsContact C-N 3.31Å; T149-A151 PolarHBondContact O-N 3.26Å; T149-E152 PolarHBondContact O-N 3.39Å; T149-D153 WeakPolarHBondContact O-CB 3.22Å; T149-D153 PolarHBondContact O-N 2.64Å
150A98.5Very high98.1Very high5 Ų560 Ų604%0.04132%0.324CS..Hα-helixtrans-60.3-39.1177.100000112.7M138 A139 E146 R147 K148 T154M138-A150 HydrophobicContact CB-CB 3.86Å; A139-A150 HydrophobicContact CB-CB 3.82Å; E146-A150 VanDerWaalsContact O-CB 3.31Å; E146-A150 WeakPolarHBondContact O-CB 3.49Å; E146-A150 PolarHBondContact O-N 3.43Å; R147-A150 PolarHBondContact O-N 2.98Å; K148-A150 VanDerWaalsContact C-N 3.34Å; K148-A150 PolarHBondContact O-N 3.03Å; A150-T154 WeakPolarHBondContact O-CB 3.26Å; A150-T154 PolarHBondContact O-N 3.17Å; A150-T154 PolarHBondContact O-OG1 3.04Å
151A98.6Very high98.1Very high15 Ų1557.9 Ų57.912%0.12431%0.314CS..Hα-helixtrans-68.8-39.2175.900000112.6A139 R147 K148 T149 T154 M155 F186 I190A139-A151 HydrophobicContact CB-CB 4.4Å; R147-A151 WeakPolarHBondContact O-CB 3.29Å; R147-A151 PolarHBondContact O-N 2.54Å; K148-A151 PolarHBondContact O-N 3.04Å; K148-A151 VanDerWaalsContact O-N 3.17Å; T149-A151 VanDerWaalsContact C-N 3.31Å; T149-A151 PolarHBondContact O-N 3.26Å; A151-T154 WeakPolarHBondContact O-CB 3.47Å; A151-T154 PolarHBondContact O-N 2.89Å; A151-M155 PolarHBondContact O-N 3.38Å; A151-F186 HydrophobicContact CB-CE2 4.27Å; A151-F186 HydrophobicContact CB-CZ 4.38Å; A151-F186 VanDerWaalsContact O-CZ 3.29Å; A151-F186 WeakPolarHBondContact O-CZ 3.4Å; A151-I190 HydrophobicContact CB-CG2 4.08Å
152E98.7Very high98.3Very high97 Ų9760 Ų6045%0.45332%0.324SS..Hα-helixtrans-63.5-47.6175-72.6171.6175.400111K148 T149 T154 M155 L156K148-E152 WeakPolarHBondContact CE-OE1 3.42Å; K148-E152 WeakPolarHBondContact O-CG 3.35Å; K148-E152 PolarHBondContact O-N 3.37Å; T149-E152 PolarHBondContact O-N 3.39Å; E152-T154 VanDerWaalsContact C-N 3.32Å; E152-T154 PolarHBondContact O-N 2.85Å; E152-M155 WeakPolarHBondContact O-CB 3.49Å; E152-M155 PolarHBondContact O-N 3.41Å; E152-M155 VanDerWaalsContact O-N 3.15Å; E152-L156 WeakPolarHBondContact O-CG 3.49Å; E152-L156 PolarHBondContact O-N 3.1Å
153D98.7Very high98.3Very high53 Ų5363 Ų6328%0.28334%0.342SS..Hα-helixtrans-63.1-37.8177-69.9-25.4000112.2H135 T149 L156 A157H135-D153 HydrophobicContact CB-CB 4.15Å; H135-D153 VanDerWaalsContact CE1-CB 3.45Å; H135-D153 WeakPolarHBondContact CE1-CB 3.23Å; H135-D153 IonicContact CE1-OD2 2.74Å; H135-D153 PolarHBondContact CE1-OD2 3.28Å; H135-D153 VanDerWaalsContact ND1-CB 3.33Å; H135-D153 WeakPolarHBondContact ND1-CB 3.44Å; H135-D153 IonicContact ND1-OD2 3.06Å; H135-D153 PolarHBondContact ND1-OD2 3.27Å; T149-D153 WeakPolarHBondContact O-CB 3.22Å; T149-D153 PolarHBondContact O-N 2.64Å; D153-L156 PolarHBondContact O-N 2.8Å; D153-A157 WeakPolarHBondContact O-CB 3.45Å; D153-A157 PolarHBondContact O-N 3.15Å
154T98.8Very high98.4Very high0 Ų060.6 Ų60.60%032%0.322CS..Hα-helixtrans-58.4-48.7172.7-59.20000110.9H135 R136 A150 A151 E152 A157 Y158 F186H135-T154 VanDerWaalsContact CB-OG1 3.29Å; H135-T154 WeakPolarHBondContact CB-OG1 3.29Å; H135-T154 PolarHBondContact O-OG1 2.96Å; R136-T154 WeakPolarHBondContact CA-OG1 3.34Å; R136-T154 HydrophobicContact CB-CG2 3.78Å; R136-T154 HydrophobicContact CG-CG2 4.41Å; R136-T154 PolarHBondContact N-OG1 3.12Å; A150-T154 WeakPolarHBondContact O-CB 3.26Å; A150-T154 PolarHBondContact O-N 3.17Å; A150-T154 PolarHBondContact O-OG1 3.04Å; A151-T154 WeakPolarHBondContact O-CB 3.47Å; A151-T154 PolarHBondContact O-N 2.89Å; E152-T154 VanDerWaalsContact C-N 3.32Å; E152-T154 PolarHBondContact O-N 2.85Å; T154-A157 PolarHBondContact O-N 2.87Å; T154-Y158 HydrophobicContact CG2-CD2 3.59Å; T154-Y158 HydrophobicContact CG2-CE2 3.37Å; T154-Y158 WeakPolarHBondContact O-CD2 3.37Å; T154-Y158 PolarHBondContact O-N 3.25Å; T154-F186 HydrophobicContact CG2-CB 4.39Å; T154-F186 HydrophobicContact CG2-CD1 4.04Å; T154-F186 HydrophobicContact CG2-CD2 3.41Å; T154-F186 VanDerWaalsContact CG2-CD2 3.41Å; T154-F186 HydrophobicContact CG2-CE1 4.1Å; T154-F186 HydrophobicContact CG2-CE2 3.52Å; T154-F186 HydrophobicContact CG2-CG 3.68Å; T154-F186 HydrophobicContact CG2-CZ 3.87Å
155M98.7Very high98.5Very high50 Ų5057.9 Ų57.925%0.24629%0.293CS..Hα-helixtrans-61.1-46.1179.3-177.967.47800111.2A151 E152 K159 F183 F186 Y187 L191A151-M155 PolarHBondContact O-N 3.38Å; E152-M155 WeakPolarHBondContact O-CB 3.49Å; E152-M155 PolarHBondContact O-N 3.41Å; E152-M155 VanDerWaalsContact O-N 3.15Å; M155-K159 HydrophobicContact CG-CG 4.5Å; M155-K159 VanDerWaalsContact O-CB 3.29Å; M155-K159 WeakPolarHBondContact O-CB 3.37Å; M155-K159 WeakPolarHBondContact O-CG 3.47Å; M155-K159 PolarHBondContact O-N 3Å; M155-K159 HydrophobicContact SD-CG 4.24Å; M155-F183 HydrophobicContact SD-CE2 3.73Å; M155-F183 HydrophobicContact SD-CZ 3.68Å; M155-F186 HydrophobicContact CB-CE1 4.09Å; M155-F186 HydrophobicContact CB-CZ 4.35Å; M155-F186 HydrophobicContact CE-CE1 3.69Å; M155-F186 HydrophobicContact CE-CZ 4.5Å; M155-F186 HydrophobicContact SD-CE1 4.22Å; M155-Y187 HydrophobicContact CE-CE1 3.76Å; M155-L191 HydrophobicContact CE-CD1 3.44Å; M155-L191 VanDerWaalsContact CE-CD1 3.44Å
156L98.8Very high98.5Very high119 Ų11954.4 Ų54.462%0.62328%0.284SS*.Hα-helixtrans-60.9-47.5179.5-70.5172.9000111.5E152 D153 K159 A160E152-L156 WeakPolarHBondContact O-CG 3.49Å; E152-L156 PolarHBondContact O-N 3.1Å; D153-L156 PolarHBondContact O-N 2.8Å; L156-K159 PolarHBondContact O-N 3.27Å; L156-A160 WeakPolarHBondContact O-CB 3.36Å; L156-A160 PolarHBondContact O-N 3.03Å
157A98.8Very high98.5Very high6 Ų652.6 Ų52.65%0.0529%0.288CS..Hα-helixtrans-64.7-46.2-179.200000112.3K131 D153 T154 A160 A161K131-A157 HydrophobicContact CB-CB 4.16Å; K131-A157 HydrophobicContact CD-CB 4.39Å; K131-A157 HydrophobicContact CG-CB 4.01Å; D153-A157 WeakPolarHBondContact O-CB 3.45Å; D153-A157 PolarHBondContact O-N 3.15Å; T154-A157 PolarHBondContact O-N 2.87Å; A157-A160 PolarHBondContact O-N 3.05Å; A157-A161 WeakPolarHBondContact O-CB 3.42Å; A157-A161 PolarHBondContact O-N 3.12Å
158Y98.8Very high98.4Very high0 Ų052.4 Ų52.40%030%0.295CS..Hα-helixtrans-68.1-35177.6-72.4-35.2000113.1K129 D133 R136 T154 A161 Q162 L179 N182 F183 F186K129-Y158 HydrophobicContact CG-CE1 4.34Å; K129-Y158 WeakPolarHBondContact O-CE1 3.48Å; D133-Y158 WeakPolarHBondContact CA-OH 3.44Å; D133-Y158 PolarHBondContact N-OH 3.44Å; D133-Y158 PolarHBondContact OD1-OH 3.15Å; R136-Y158 PolarHBondContact NE-OH 2.95Å; R136-Y158 VanDerWaalsContact NE-OH 3.11Å; T154-Y158 HydrophobicContact CG2-CD2 3.59Å; T154-Y158 HydrophobicContact CG2-CE2 3.37Å; T154-Y158 WeakPolarHBondContact O-CD2 3.37Å; T154-Y158 PolarHBondContact O-N 3.25Å; Y158-A161 PolarHBondContact O-N 3.16Å; Y158-Q162 VanDerWaalsContact O-CB 3.23Å; Y158-Q162 WeakPolarHBondContact O-CB 3.33Å; Y158-Q162 PolarHBondContact O-N 3.36Å; Y158-L179 HydrophobicContact CD1-CD1 3.54Å; Y158-L179 HydrophobicContact CE1-CD1 4.25Å; Y158-L179 HydrophobicContact CG-CD1 4.23Å; Y158-N182 HydrophobicContact CE1-CB 4.35Å; Y158-F183 HydrophobicContact CD2-CB 4.1Å; Y158-F183 AromaticContact CD2-CD2 3.46Å; Y158-F183 HydrophobicContact CD2-CD2 3.46Å; Y158-F183 VanDerWaalsContact CD2-CD2 3.46Å; Y158-F183 AromaticContact CD2-CE2 3.98Å; Y158-F183 HydrophobicContact CD2-CE2 3.98Å; Y158-F183 AromaticContact CD2-CG 3.87Å; Y158-F183 HydrophobicContact CD2-CG 3.87Å; Y158-F183 HydrophobicContact CE2-CD2 4.34Å; Y158-F183 HydrophobicContact CG-CB 4.17Å; Y158-F183 HydrophobicContact CG-CD1 4.38Å; Y158-F183 AromaticContact CG-CD2 3.94Å; Y158-F183 HydrophobicContact CG-CD2 3.94Å; Y158-F183 HydrophobicContact CG-CE2 4.36Å; Y158-F183 AromaticContact CG-CG 3.94Å; Y158-F183 HydrophobicContact CG-CG 3.94Å; Y158-F186 HydrophobicContact CD2-CB 4.33Å; Y158-F186 HydrophobicContact CD2-CD1 4.34Å; Y158-F186 HydrophobicContact CD2-CG 4.45Å; Y158-F186 HydrophobicContact CE2-CB 3.86Å; Y158-F186 HydrophobicContact CE2-CG 4.26Å
159K98.7Very high98.3Very high82 Ų8247.2 Ų47.236%0.35727%0.273SS..Hα-helixtrans-64.2-47.4174.1-82.9-72.7171-164.40111.8M155 L156 A161 Q162 D163 F183M155-K159 HydrophobicContact CG-CG 4.5Å; M155-K159 VanDerWaalsContact O-CB 3.29Å; M155-K159 WeakPolarHBondContact O-CB 3.37Å; M155-K159 WeakPolarHBondContact O-CG 3.47Å; M155-K159 PolarHBondContact O-N 3Å; M155-K159 HydrophobicContact SD-CG 4.24Å; L156-K159 PolarHBondContact O-N 3.27Å; K159-A161 VanDerWaalsContact C-N 3.29Å; K159-A161 PolarHBondContact O-N 3.25Å; K159-Q162 PolarHBondContact O-N 3.5Å; K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.35Å; K159-F183 HydrophobicContact CD-CE1 4.35Å; K159-F183 HydrophobicContact CD-CZ 4.35Å; K159-F183 HydrophobicContact CG-CE1 4.35Å; K159-F183 HydrophobicContact CG-CZ 4.04Å
160A98.6Very high98.2Very high39 Ų3946 Ų4632%0.32227%0.27SS..Hα-helixtrans-58.9-41.5175.700000112.1L128 L156 A157 I164L128-A160 HydrophobicContact CD1-CB 4.06Å; L128-A160 HydrophobicContact CD2-CB 4.3Å; L156-A160 WeakPolarHBondContact O-CB 3.36Å; L156-A160 PolarHBondContact O-N 3.03Å; A157-A160 PolarHBondContact O-N 3.05Å; A160-I164 WeakPolarHBondContact O-CG1 3.44Å; A160-I164 PolarHBondContact O-N 2.97Å
161A98.7Very high98.1Very high0 Ų046.6 Ų46.60%027%0.273CS..Hα-helixtrans-64.2-40.6174.400000112.1V125 L128 A157 Y158 K159 A165 L179V125-A161 HydrophobicContact CG1-CB 4.32Å; L128-A161 HydrophobicContact CB-CB 3.7Å; A157-A161 WeakPolarHBondContact O-CB 3.42Å; A157-A161 PolarHBondContact O-N 3.12Å; Y158-A161 PolarHBondContact O-N 3.16Å; K159-A161 VanDerWaalsContact C-N 3.29Å; K159-A161 PolarHBondContact O-N 3.25Å; A161-A165 VanDerWaalsContact O-CB 3.25Å; A161-A165 WeakPolarHBondContact O-CB 3.46Å; A161-A165 PolarHBondContact O-N 3.48Å; A161-L179 VanDerWaalsContact C-CD2 3.46Å; A161-L179 HydrophobicContact CB-CD1 3.81Å; A161-L179 HydrophobicContact CB-CD2 3.61Å; A161-L179 HydrophobicContact CB-CG 4.37Å
162Q98.5Very high98Very high57 Ų5746.1 Ų46.127%0.26627%0.269SS..Hα-helixtrans-67-41.2-177.1179.1171.453.600111.4Y158 K159 A165 A166 L179Y158-Q162 VanDerWaalsContact O-CB 3.23Å; Y158-Q162 WeakPolarHBondContact O-CB 3.33Å; Y158-Q162 PolarHBondContact O-N 3.36Å; K159-Q162 PolarHBondContact O-N 3.5Å; Q162-A165 PolarHBondContact O-N 2.93Å; Q162-A166 VanDerWaalsContact O-CB 3.28Å; Q162-A166 WeakPolarHBondContact O-CB 3.01Å; Q162-A166 PolarHBondContact O-N 3.34Å; Q162-L179 HydrophobicContact CB-CD2 4.12Å
163D98.4Very high97.8Very high105 Ų10543.7 Ų43.756%0.56126%0.257SS*.Hα-helixtrans-64-43-179.8-65.7-18.7000111.3K159 A167K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.35Å; D163-A167 PolarHBondContact O-N 2.71Å
164I98.6Very high97.7Very high41 Ų4142.2 Ų42.221%0.2125%0.25CS..Hα-helixtrans-68.4-45175.7-59168.3000110.5K124 V125 L128 A160 A166 A167 D168K124-I164 HydrophobicContact CB-CD1 4.1Å; K124-I164 HydrophobicContact CD-CD1 4.49Å; V125-I164 HydrophobicContact CG2-CB 3.73Å; V125-I164 HydrophobicContact CG2-CG2 3.53Å; L128-I164 HydrophobicContact CD1-CD1 3.71Å; A160-I164 WeakPolarHBondContact O-CG1 3.44Å; A160-I164 PolarHBondContact O-N 2.97Å; I164-A166 VanDerWaalsContact C-N 3.32Å; I164-A166 PolarHBondContact O-N 2.99Å; I164-A167 PolarHBondContact O-N 3Å; I164-D168 PolarHBondContact O-N 2.97Å
165A98.4Very high97.6Very high2 Ų243.2 Ų43.22%0.01726%0.256CS..Hα-helixtrans-63.7-36.9-17900000112.6V125 A161 Q162 A167 M169 R176 L179V125-A165 HydrophobicContact CG1-CB 3.94Å; V125-A165 HydrophobicContact CG2-CB 4.02Å; A161-A165 VanDerWaalsContact O-CB 3.25Å; A161-A165 WeakPolarHBondContact O-CB 3.46Å; A161-A165 PolarHBondContact O-N 3.48Å; Q162-A165 PolarHBondContact O-N 2.93Å; A165-A167 VanDerWaalsContact C-N 3.3Å; A165-A167 PolarHBondContact O-N 3.03Å; A165-M169 HydrophobicContact CB-SD 4.06Å; A165-M169 WeakPolarHBondContact O-CB 3.45Å; A165-M169 PolarHBondContact O-N 3.33Å; A165-M169 VanDerWaalsContact O-N 3.08Å; A165-R176 HydrophobicContact CB-CB 4.27Å; A165-R176 HydrophobicContact CB-CG 4.08Å; A165-L179 HydrophobicContact CB-CD2 4.17Å
166A97.2Very high97.6Very high61 Ų6143.2 Ų43.250%0.50425%0.253SS..Hα-helixtrans-67.3-32177.800000112.5Q162 I164Q162-A166 VanDerWaalsContact O-CB 3.28Å; Q162-A166 WeakPolarHBondContact O-CB 3.01Å; Q162-A166 PolarHBondContact O-N 3.34Å; I164-A166 VanDerWaalsContact C-N 3.32Å; I164-A166 PolarHBondContact O-N 2.99Å
167A97.3Very high97.6Very high77 Ų7737.7 Ų37.764%0.63622%0.224SC*.Hα-helixtrans-81-41.7178.700000113D163 I164 A165D163-A167 PolarHBondContact O-N 2.71Å; I164-A167 PolarHBondContact O-N 3Å; A165-A167 VanDerWaalsContact C-N 3.3Å; A165-A167 PolarHBondContact O-N 3.03Å
168D97.5Very high97.6Very high96 Ų9637.9 Ų37.951%0.51323%0.226SC..Hα-helixtrans-114.6-6.1-162.5-62-19.6000114.5S121 I164S121-D168 WeakPolarHBondContact CB-OD2 3.37Å; S121-D168 PolarHBondContact OG-OD2 2.98Å; I164-D168 PolarHBondContact O-N 2.97Å
169M96Very high97.5Very high15 Ų1538.1 Ų38.17%0.07423%0.228CC..SBendtrans-126.9136.8-176.5-58.4-179.9171.400112.4E122 V125 A165 H173 I175 R176E122-M169 HydrophobicContact CB-CE 4.05Å; E122-M169 HydrophobicContact CG-CE 4.03Å; V125-M169 HydrophobicContact CB-CE 3.64Å; V125-M169 HydrophobicContact CB-SD 4.32Å; V125-M169 HydrophobicContact CG1-CE 4.12Å; V125-M169 HydrophobicContact CG1-SD 4.19Å; V125-M169 HydrophobicContact CG2-CE 3.66Å; V125-M169 HydrophobicContact CG2-SD 4.22Å; A165-M169 HydrophobicContact CB-SD 4.06Å; A165-M169 WeakPolarHBondContact O-CB 3.45Å; A165-M169 PolarHBondContact O-N 3.33Å; A165-M169 VanDerWaalsContact O-N 3.08Å; M169-H173 HydrophobicContact CB-CB 4.04Å; M169-I175 HydrophobicContact CE-CG2 4.19Å; M169-I175 HydrophobicContact SD-CB 4.44Å; M169-I175 HydrophobicContact SD-CG2 4.32Å; M169-R176 HydrophobicContact CB-CB 4.18Å; M169-R176 PolarHBondContact O-NH1 3.36Å; M169-R176 HydrophobicContact SD-CB 4.07Å
170A95.8Very high97.5Very high47 Ų4734.8 Ų34.839%0.38822%0.216SC..  trans-59.4147.2170.400000111.2T172 H173 R176A170-T172 PolarHBondContact O-N 2.89Å; A170-T172 VanDerWaalsContact O-N 3.09Å; A170-H173 WeakPolarHBondContact O-CB 3.37Å; A170-H173 PolarHBondContact O-N 3.07Å; A170-R176 WeakPolarHBondContact O-CD 3.48Å
171P96.8Very high97.5Very high16 Ų1633.8 Ų33.810%0.10421%0.205CC..THydrogen-bonded Turntrans-53.3-27.1174.6-27.935.1000115.1H173 L177 E207 E211P171-H173 VanDerWaalsContact C-N 3.33Å; P171-L177 WeakPolarHBondContact O-CG 3.27Å; P171-E207 HydrophobicContact CB-CB 3.8Å; P171-E207 HydrophobicContact CG-CB 4.25Å; P171-E211 WeakPolarHBondContact CD-OE2 3.29Å
172T95.9Very high97.5Very high6 Ų635.1 Ų35.14%0.03721%0.212CC..THydrogen-bonded Turntrans-82.8-4.9177.352.10000113.9A170 A208 E211 S223A170-T172 PolarHBondContact O-N 2.89Å; A170-T172 VanDerWaalsContact O-N 3.09Å; T172-A208 HydrophobicContact CG2-CB 4.4Å; T172-A208 WeakPolarHBondContact CG2-O 3.49Å; T172-E211 HydrophobicContact CG2-CB 3.86Å; T172-S223 WeakPolarHBondContact O-CB 3.47Å; T172-S223 PolarHBondContact O-OG 3.38Å
173H95.6Very high97.5Very high45 Ų4532.4 Ų32.421%0.20820%0.199CC..  trans-67.1127.6-176.9-167.4-80.6000111.5E122 M169 A170 P171 I175 R176 L177E122-H173 IonicContact OE2-CE1 2.8Å; E122-H173 IonicContact OE2-NE2 3.37Å; E122-H173 PolarHBondContact OE2-NE2 3.1Å; M169-H173 HydrophobicContact CB-CB 4.04Å; A170-H173 WeakPolarHBondContact O-CB 3.37Å; A170-H173 PolarHBondContact O-N 3.07Å; P171-H173 VanDerWaalsContact C-N 3.33Å; H173-I175 VanDerWaalsContact C-N 3.29Å; H173-I175 PolarHBondContact ND1-N 3.46Å; H173-I175 PolarHBondContact O-N 2.93Å; H173-I175 VanDerWaalsContact O-N 3.15Å; H173-R176 HydrophobicContact CB-CB 4.21Å; H173-R176 PolarHBondContact O-N 2.88Å; H173-L177 PolarHBondContact O-N 3.13Å
174P96.2Very high97.5Very high22 Ų2227.4 Ų27.414%0.14317%0.172CC..Hα-helixtrans-54.7-39.1-174.7-2630.5000114.2G178 D222 S223 I226P174-G178 PolarHBondContact O-N 3.2Å; P174-D222 HydrophobicContact CB-CB 4.16Å; P174-D222 HydrophobicContact CG-CB 4.12Å; P174-S223 WeakPolarHBondContact CD-OG 3.47Å; P174-S223 WeakPolarHBondContact CG-OG 3.29Å; P174-I226 HydrophobicContact CB-CD1 4.12Å; P174-I226 VanDerWaalsContact O-CD1 3.28Å; P174-I226 WeakPolarHBondContact O-CD1 3.47Å
175I97.1Very high97.5Very high22 Ų2226.3 Ų26.311%0.11317%0.168CC..Hα-helixtrans-68.5-39.7178.7-68.3171000111.9E122 V125 F126 M169 H173 G178 L179E122-I175 HydrophobicContact CG-CD1 3.37Å; V125-I175 HydrophobicContact CB-CG2 4.12Å; V125-I175 HydrophobicContact CG1-CG2 3.59Å; F126-I175 HydrophobicContact CB-CD1 4.36Å; F126-I175 HydrophobicContact CD2-CD1 3.89Å; F126-I175 HydrophobicContact CD2-CG1 4.27Å; M169-I175 HydrophobicContact CE-CG2 4.19Å; M169-I175 HydrophobicContact SD-CB 4.44Å; M169-I175 HydrophobicContact SD-CG2 4.32Å; H173-I175 VanDerWaalsContact C-N 3.29Å; H173-I175 PolarHBondContact ND1-N 3.46Å; H173-I175 PolarHBondContact O-N 2.93Å; H173-I175 VanDerWaalsContact O-N 3.15Å; I175-G178 PolarHBondContact O-N 3.02Å; I175-L179 WeakPolarHBondContact O-CB 3.5Å; I175-L179 PolarHBondContact O-N 3.41Å
176R98.1Very high97.5Very high50 Ų5026.2 Ų26.219%0.18917%0.167CC..Hα-helixtrans-67.2-44.6176.8177.7173.5167.4170.7-4.3110.7A165 M169 A170 H173 L179 A180 E207A165-R176 HydrophobicContact CB-CB 4.27Å; A165-R176 HydrophobicContact CB-CG 4.08Å; M169-R176 HydrophobicContact CB-CB 4.18Å; M169-R176 PolarHBondContact O-NH1 3.36Å; M169-R176 HydrophobicContact SD-CB 4.07Å; A170-R176 WeakPolarHBondContact O-CD 3.48Å; H173-R176 HydrophobicContact CB-CB 4.21Å; H173-R176 PolarHBondContact O-N 2.88Å; R176-L179 WeakPolarHBondContact O-CB 3.36Å; R176-L179 PolarHBondContact O-N 3Å; R176-A180 PolarHBondContact O-N 3.2Å; R176-E207 IonicContact NH2-OE2 3.38Å; R176-E207 PolarHBondContact NH2-OE2 2.58Å
177L98.4Very high97.6Very high3 Ų324.3 Ų24.32%0.01615%0.147CC..Hα-helixtrans-60.2-46173.6-77.7172.8000111.9P171 H173 L179 A180 L181 A208 I226 M227 L230P171-L177 WeakPolarHBondContact O-CG 3.27Å; H173-L177 PolarHBondContact O-N 3.13Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.17Å; L177-A180 PolarHBondContact O-N 3.41Å; L177-L181 WeakPolarHBondContact O-CB 3.42Å; L177-L181 PolarHBondContact O-N 3.47Å; L177-A208 HydrophobicContact CD2-CB 3.76Å; L177-I226 HydrophobicContact CB-CB 4.19Å; L177-I226 HydrophobicContact CB-CD1 4.37Å; L177-I226 HydrophobicContact CB-CG2 3.66Å; L177-M227 HydrophobicContact CD1-CG 4.01Å; L177-M227 HydrophobicContact CD1-SD 4.49Å; L177-M227 HydrophobicContact CD2-CG 4.23Å; L177-L230 HydrophobicContact CD2-CD1 4.02Å
178G98.1Very high97.7Very high9 Ų923.3 Ų23.39%0.09313%0.127CC..Hα-helixtrans-63.2-34.9177.900000112.6K129 P174 I175 N182K129-G178 WeakPolarHBondContact CE-O 3.31Å; P174-G178 PolarHBondContact O-N 3.2Å; I175-G178 PolarHBondContact O-N 3.02Å; G178-N182 WeakPolarHBondContact O-CB 3.37Å; G178-N182 PolarHBondContact O-N 2.87Å
179L98.7Very high97.6Very high5 Ų523 Ų233%0.02612%0.122CC..Hα-helixtrans-64.4-49.7171.9172.163.5000111V125 K129 Y158 A161 Q162 A165 I175 R176 L177 L181 N182 F183V125-L179 HydrophobicContact CG1-CD2 4.21Å; K129-L179 HydrophobicContact CB-CD1 4.11Å; K129-L179 HydrophobicContact CD-CB 4.09Å; K129-L179 HydrophobicContact CG-CB 4.32Å; K129-L179 HydrophobicContact CG-CD1 4.02Å; Y158-L179 HydrophobicContact CD1-CD1 3.54Å; Y158-L179 HydrophobicContact CE1-CD1 4.25Å; Y158-L179 HydrophobicContact CG-CD1 4.23Å; A161-L179 VanDerWaalsContact C-CD2 3.46Å; A161-L179 HydrophobicContact CB-CD1 3.81Å; A161-L179 HydrophobicContact CB-CD2 3.61Å; A161-L179 HydrophobicContact CB-CG 4.37Å; Q162-L179 HydrophobicContact CB-CD2 4.12Å; A165-L179 HydrophobicContact CB-CD2 4.17Å; I175-L179 WeakPolarHBondContact O-CB 3.5Å; I175-L179 PolarHBondContact O-N 3.41Å; R176-L179 WeakPolarHBondContact O-CB 3.36Å; R176-L179 PolarHBondContact O-N 3Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.17Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 2.99Å; L179-N182 PolarHBondContact O-N 3.44Å; L179-F183 WeakPolarHBondContact O-CB 3.37Å; L179-F183 PolarHBondContact O-N 3Å
180A98.7Very high97.7Very high13 Ų1322.8 Ų22.811%0.10712%0.122CC..Hα-helixtrans-59.9-41.6178.500000112.1R176 L177 S184 A204R176-A180 PolarHBondContact O-N 3.2Å; L177-A180 PolarHBondContact O-N 3.41Å; A180-S184 WeakPolarHBondContact O-CB 3.21Å; A180-S184 PolarHBondContact O-N 3.17Å; A180-S184 PolarHBondContact O-OG 2.8Å; A180-S184 VanDerWaalsContact O-OG 3.06Å; A180-A204 HydrophobicContact CB-CB 3.48Å; A180-A204 VanDerWaalsContact CB-CB 3.48Å
181L98.6Very high97.7Very high18 Ų1823.4 Ų23.49%0.09412%0.118CC..Hα-helixtrans-57-54.5173.517764.5000111.2L177 L179 F183 S184 V185 I226 L229 L230 N233L177-L181 WeakPolarHBondContact O-CB 3.42Å; L177-L181 PolarHBondContact O-N 3.47Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 2.99Å; L181-F183 PolarHBondContact O-N 3.33Å; L181-S184 PolarHBondContact O-N 2.72Å; L181-S184 PolarHBondContact O-OG 3.31Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.28Å; L181-V185 PolarHBondContact O-N 3.47Å; L181-V185 VanDerWaalsContact O-N 3.1Å; L181-I226 HydrophobicContact CB-CG2 4.23Å; L181-I226 HydrophobicContact CD2-CG2 4.12Å; L181-L229 HydrophobicContact CD1-CB 4.16Å; L181-L229 HydrophobicContact CD2-CB 3.92Å; L181-L229 HydrophobicContact CD2-CD1 3.94Å; L181-L230 HydrophobicContact CB-CD2 3.95Å; L181-L230 HydrophobicContact CB-CG 4.25Å; L181-L230 HydrophobicContact CD1-CD2 3.9Å; L181-L230 HydrophobicContact CD1-CG 4.12Å; L181-N233 VanDerWaalsContact CD1-ND2 3.28Å; L181-N233 WeakPolarHBondContact CD1-ND2 3.33Å
182N98.4Very high97.7Very high28 Ų2828.6 Ų28.615%0.1515%0.145CC..Hα-helixtrans-70-33.9-175.7-73.64.9000112.9K129 D133 Y158 G178 L179 V185 F186K129-N182 WeakPolarHBondContact CE-ND2 3.11Å; K129-N182 PolarHBondContact NZ-ND2 3.19Å; D133-N182 WeakPolarHBondContact OD1-CB 3.5Å; D133-N182 PolarHBondContact OD1-ND2 3.42Å; D133-N182 PolarHBondContact OD2-ND2 3.06Å; Y158-N182 HydrophobicContact CE1-CB 4.35Å; G178-N182 WeakPolarHBondContact O-CB 3.37Å; G178-N182 PolarHBondContact O-N 2.87Å; L179-N182 PolarHBondContact O-N 3.44Å; N182-V185 PolarHBondContact O-N 3.3Å; N182-F186 PolarHBondContact O-N 2.96Å
183F98.7Very high97.7Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-71.5-37.3177.8-162.6-179.2000111.6M155 Y158 K159 L179 L181 F186 Y187 M200M155-F183 HydrophobicContact SD-CE2 3.73Å; M155-F183 HydrophobicContact SD-CZ 3.68Å; Y158-F183 HydrophobicContact CD2-CB 4.1Å; Y158-F183 AromaticContact CD2-CD2 3.46Å; Y158-F183 HydrophobicContact CD2-CD2 3.46Å; Y158-F183 VanDerWaalsContact CD2-CD2 3.46Å; Y158-F183 AromaticContact CD2-CE2 3.98Å; Y158-F183 HydrophobicContact CD2-CE2 3.98Å; Y158-F183 AromaticContact CD2-CG 3.87Å; Y158-F183 HydrophobicContact CD2-CG 3.87Å; Y158-F183 HydrophobicContact CE2-CD2 4.34Å; Y158-F183 HydrophobicContact CG-CB 4.17Å; Y158-F183 HydrophobicContact CG-CD1 4.38Å; Y158-F183 AromaticContact CG-CD2 3.94Å; Y158-F183 HydrophobicContact CG-CD2 3.94Å; Y158-F183 HydrophobicContact CG-CE2 4.36Å; Y158-F183 AromaticContact CG-CG 3.94Å; Y158-F183 HydrophobicContact CG-CG 3.94Å; K159-F183 HydrophobicContact CD-CE1 4.35Å; K159-F183 HydrophobicContact CD-CZ 4.35Å; K159-F183 HydrophobicContact CG-CE1 4.35Å; K159-F183 HydrophobicContact CG-CZ 4.04Å; L179-F183 WeakPolarHBondContact O-CB 3.37Å; L179-F183 PolarHBondContact O-N 3Å; L181-F183 PolarHBondContact O-N 3.33Å; F183-F186 HydrophobicContact CD2-CB 4.46Å; F183-F186 AromaticContact CD2-CD1 3.89Å; F183-F186 HydrophobicContact CD2-CD1 3.89Å; F183-F186 AromaticContact CE2-CD1 3.83Å; F183-F186 HydrophobicContact CE2-CD1 3.83Å; F183-F186 HydrophobicContact CE2-CE1 4.29Å; F183-F186 WeakPolarHBondContact O-CB 3.5Å; F183-F186 PolarHBondContact O-N 3.22Å; F183-Y187 HydrophobicContact CD2-CD2 4.01Å; F183-Y187 AromaticContact CD2-CE2 3.68Å; F183-Y187 HydrophobicContact CD2-CE2 3.68Å; F183-Y187 HydrophobicContact CE2-CD2 4.18Å; F183-Y187 AromaticContact CE2-CE2 3.46Å; F183-Y187 HydrophobicContact CE2-CE2 3.46Å; F183-Y187 VanDerWaalsContact CE2-CE2 3.46Å; F183-Y187 AromaticContact CE2-CZ 3.84Å; F183-Y187 HydrophobicContact CG-CE2 4.3Å; F183-Y187 AromaticContact CZ-CE2 3.92Å; F183-Y187 HydrophobicContact CZ-CE2 3.92Å; F183-Y187 VanDerWaalsContact O-CD2 3.3Å; F183-Y187 WeakPolarHBondContact O-CD2 3.49Å; F183-Y187 PolarHBondContact O-N 2.93Å; F183-Y187 VanDerWaalsContact O-N 3.11Å; F183-M200 HydrophobicContact CB-SD 3.66Å; F183-M200 HydrophobicContact CD1-CE 3.69Å; F183-M200 HydrophobicContact CD1-SD 3.84Å; F183-M200 HydrophobicContact CD2-SD 4.4Å; F183-M200 HydrophobicContact CE1-CE 4Å; F183-M200 HydrophobicContact CG-CE 4.03Å; F183-M200 HydrophobicContact CG-SD 3.68Å
184S98.6Very high97.7Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-64.2-40.9171.864.60000112A180 L181 F186 Y187 Y188 A197A180-S184 WeakPolarHBondContact O-CB 3.21Å; A180-S184 PolarHBondContact O-N 3.17Å; A180-S184 PolarHBondContact O-OG 2.8Å; A180-S184 VanDerWaalsContact O-OG 3.06Å; L181-S184 PolarHBondContact O-N 2.72Å; L181-S184 PolarHBondContact O-OG 3.31Å; S184-F186 VanDerWaalsContact C-N 3.3Å; S184-F186 PolarHBondContact O-N 3.4Å; S184-Y187 PolarHBondContact O-N 3.15Å; S184-Y187 VanDerWaalsContact O-N 3.17Å; S184-Y188 PolarHBondContact O-N 3.04Å; S184-A197 VanDerWaalsContact O-CB 3.28Å; S184-A197 WeakPolarHBondContact O-CB 3.3Å
185V98.3Very high97.6Very high18 Ų1833.5 Ų33.511%0.10918%0.177CC..Hα-helixtrans-59.1-40173.31720000111.4L181 N182 Y188 E189 W237L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.28Å; L181-V185 PolarHBondContact O-N 3.47Å; L181-V185 VanDerWaalsContact O-N 3.1Å; N182-V185 PolarHBondContact O-N 3.3Å; V185-Y188 PolarHBondContact O-N 2.66Å; V185-E189 HydrophobicContact CG1-CG 3.92Å; V185-E189 WeakPolarHBondContact CG1-OE2 3.49Å; V185-E189 WeakPolarHBondContact O-CB 3.28Å; V185-E189 PolarHBondContact O-N 3.44Å; V185-W237 HydrophobicContact CG2-CH2 4.1Å; V185-W237 HydrophobicContact CG2-CZ2 4.01Å
186F98.6Very high97.6Very high0 Ų038.4 Ų38.40%020%0.197CC..Hα-helixtrans-60.5-46.2173.9171.1-117.6000113.1R136 A151 T154 M155 Y158 N182 F183 S184 Y188 I190 L191R136-F186 HydrophobicContact CG-CD2 4.16Å; A151-F186 HydrophobicContact CB-CE2 4.27Å; A151-F186 HydrophobicContact CB-CZ 4.38Å; A151-F186 VanDerWaalsContact O-CZ 3.29Å; A151-F186 WeakPolarHBondContact O-CZ 3.4Å; T154-F186 HydrophobicContact CG2-CB 4.39Å; T154-F186 HydrophobicContact CG2-CD1 4.04Å; T154-F186 HydrophobicContact CG2-CD2 3.41Å; T154-F186 VanDerWaalsContact CG2-CD2 3.41Å; T154-F186 HydrophobicContact CG2-CE1 4.1Å; T154-F186 HydrophobicContact CG2-CE2 3.52Å; T154-F186 HydrophobicContact CG2-CG 3.68Å; T154-F186 HydrophobicContact CG2-CZ 3.87Å; M155-F186 HydrophobicContact CB-CE1 4.09Å; M155-F186 HydrophobicContact CB-CZ 4.35Å; M155-F186 HydrophobicContact CE-CE1 3.69Å; M155-F186 HydrophobicContact CE-CZ 4.5Å; M155-F186 HydrophobicContact SD-CE1 4.22Å; Y158-F186 HydrophobicContact CD2-CB 4.33Å; Y158-F186 HydrophobicContact CD2-CD1 4.34Å; Y158-F186 HydrophobicContact CD2-CG 4.45Å; Y158-F186 HydrophobicContact CE2-CB 3.86Å; Y158-F186 HydrophobicContact CE2-CG 4.26Å; N182-F186 PolarHBondContact O-N 2.96Å; F183-F186 HydrophobicContact CD2-CB 4.46Å; F183-F186 AromaticContact CD2-CD1 3.89Å; F183-F186 HydrophobicContact CD2-CD1 3.89Å; F183-F186 AromaticContact CE2-CD1 3.83Å; F183-F186 HydrophobicContact CE2-CD1 3.83Å; F183-F186 HydrophobicContact CE2-CE1 4.29Å; F183-F186 WeakPolarHBondContact O-CB 3.5Å; F183-F186 PolarHBondContact O-N 3.22Å; S184-F186 VanDerWaalsContact C-N 3.3Å; S184-F186 PolarHBondContact O-N 3.4Å; F186-Y188 PolarHBondContact O-N 3.45Å; F186-I190 HydrophobicContact CD2-CB 3.58Å; F186-I190 HydrophobicContact CD2-CG1 3.75Å; F186-I190 HydrophobicContact CD2-CG2 4.04Å; F186-I190 HydrophobicContact CE2-CB 3.7Å; F186-I190 HydrophobicContact CE2-CG1 4.21Å; F186-I190 HydrophobicContact CE2-CG2 3.63Å; F186-I190 WeakPolarHBondContact O-CB 3.34Å; F186-I190 PolarHBondContact O-N 3.01Å; F186-L191 HydrophobicContact CD1-CD1 4.04Å; F186-L191 HydrophobicContact CD1-CG 4.39Å; F186-L191 HydrophobicContact CE1-CD1 3.41Å; F186-L191 VanDerWaalsContact CE1-CD1 3.41Å; F186-L191 HydrophobicContact CE1-CD2 4.43Å; F186-L191 HydrophobicContact CE1-CG 3.86Å; F186-L191 HydrophobicContact CE2-CD2 4.29Å; F186-L191 HydrophobicContact CE2-CG 4.09Å; F186-L191 HydrophobicContact CZ-CD1 3.69Å; F186-L191 HydrophobicContact CZ-CD2 3.84Å; F186-L191 HydrophobicContact CZ-CG 3.68Å; F186-L191 PolarHBondContact O-N 2.95Å
187Y98.5Very high97.6Very high20 Ų2036 Ų368%0.07819%0.188CC..Hα-helixtrans-58.7-40.3176-82.5-64.9000111.8M155 F183 S184 L191 N192 S193 K196 M200M155-Y187 HydrophobicContact CE-CE1 3.76Å; F183-Y187 HydrophobicContact CD2-CD2 4.01Å; F183-Y187 AromaticContact CD2-CE2 3.68Å; F183-Y187 HydrophobicContact CD2-CE2 3.68Å; F183-Y187 HydrophobicContact CE2-CD2 4.18Å; F183-Y187 AromaticContact CE2-CE2 3.46Å; F183-Y187 HydrophobicContact CE2-CE2 3.46Å; F183-Y187 VanDerWaalsContact CE2-CE2 3.46Å; F183-Y187 AromaticContact CE2-CZ 3.84Å; F183-Y187 HydrophobicContact CG-CE2 4.3Å; F183-Y187 AromaticContact CZ-CE2 3.92Å; F183-Y187 HydrophobicContact CZ-CE2 3.92Å; F183-Y187 VanDerWaalsContact O-CD2 3.3Å; F183-Y187 WeakPolarHBondContact O-CD2 3.49Å; F183-Y187 PolarHBondContact O-N 2.93Å; F183-Y187 VanDerWaalsContact O-N 3.11Å; S184-Y187 PolarHBondContact O-N 3.15Å; S184-Y187 VanDerWaalsContact O-N 3.17Å; Y187-L191 HydrophobicContact CD1-CD1 3.7Å; Y187-L191 HydrophobicContact CE1-CD1 3.83Å; Y187-L191 CarbonylContact O-C 3.25Å; Y187-N192 PolarHBondContact O-N 3.45Å; Y187-S193 WeakPolarHBondContact O-CA 3.41Å; Y187-S193 PolarHBondContact O-N 2.73Å; Y187-K196 HydrophobicContact CD1-CB 3.85Å; Y187-K196 HydrophobicContact CD1-CD 4.02Å; Y187-K196 HydrophobicContact CE1-CB 4.28Å; Y187-K196 HydrophobicContact CE1-CD 3.83Å; Y187-K196 HydrophobicContact CG-CB 4.03Å; Y187-M200 HydrophobicContact CD2-CE 4.11Å; Y187-M200 HydrophobicContact CD2-SD 4.04Å; Y187-M200 HydrophobicContact CE2-CE 3.52Å; Y187-M200 HydrophobicContact CE2-SD 4.02Å
188Y98.2Very high97.5Very high56 Ų5636.6 Ų36.622%0.2219%0.192CC..Hα-helixtrans-73.5-60.1-179.7-174.6-90000112S184 V185 F186 N192 W237 D240S184-Y188 PolarHBondContact O-N 3.04Å; V185-Y188 PolarHBondContact O-N 2.66Å; F186-Y188 PolarHBondContact O-N 3.45Å; Y188-N192 WeakPolarHBondContact O-CA 3.44Å; Y188-N192 PolarHBondContact O-N 3.29Å; Y188-W237 AromaticContact CD1-CD1 3.93Å; Y188-W237 AromaticContact CD1-CE2 4Å; Y188-W237 HydrophobicContact CD1-CZ2 4.5Å; Y188-W237 AromaticContact CD1-NE1 3.49Å; Y188-W237 HydrophobicContact CD2-CB 3.94Å; Y188-W237 AromaticContact CD2-CD1 3.4Å; Y188-W237 AromaticContact CD2-CD2 3.67Å; Y188-W237 HydrophobicContact CD2-CD2 3.67Å; Y188-W237 AromaticContact CD2-CE2 3.81Å; Y188-W237 HydrophobicContact CD2-CE3 4.46Å; Y188-W237 AromaticContact CD2-CG 3.39Å; Y188-W237 HydrophobicContact CD2-CG 3.39Å; Y188-W237 AromaticContact CD2-NE1 3.63Å; Y188-W237 AromaticContact CE1-CD1 3.71Å; Y188-W237 AromaticContact CE1-NE1 3.61Å; Y188-W237 HydrophobicContact CE2-CB 3.69Å; Y188-W237 AromaticContact CE2-CD1 3.11Å; Y188-W237 HydrophobicContact CE2-CD2 4.15Å; Y188-W237 AromaticContact CE2-CG 3.37Å; Y188-W237 HydrophobicContact CE2-CG 3.37Å; Y188-W237 AromaticContact CE2-NE1 3.73Å; Y188-W237 AromaticContact CG-CD1 3.8Å; Y188-W237 AromaticContact CG-CD2 3.97Å; Y188-W237 HydrophobicContact CG-CD2 3.97Å; Y188-W237 AromaticContact CG-CE2 3.63Å; Y188-W237 HydrophobicContact CG-CG 4.06Å; Y188-W237 HydrophobicContact CG-CZ2 4.14Å; Y188-W237 AromaticContact CG-NE1 3.51Å; Y188-W237 AromaticContact CZ-CD1 3.29Å; Y188-W237 AromaticContact CZ-NE1 3.72Å; Y188-D240 PolarHBondContact OH-OD2 3.48Å
189E95.9Very high97.5Very high89 Ų8941.2 Ų41.242%0.41622%0.215SC..Hα-helixtrans-77.5-34.6-168.6-64.5-177.7163.800113.7R136 V185R136-E189 IonicContact NH1-OE2 2.64Å; V185-E189 HydrophobicContact CG1-CG 3.92Å; V185-E189 WeakPolarHBondContact CG1-OE2 3.49Å; V185-E189 WeakPolarHBondContact O-CB 3.28Å; V185-E189 PolarHBondContact O-N 3.44Å
190I97.6Very high97.5Very high12 Ų1242.1 Ų42.16%0.06222%0.219CC..THydrogen-bonded Turntrans-103.2-44.3-172.5-54.5-56.8000111.7R136 A139 E140 R147 A151 F186R136-I190 HydrophobicContact CG-CG1 3.95Å; A139-I190 HydrophobicContact CB-CD1 4.38Å; A139-I190 HydrophobicContact CB-CG2 3.9Å; E140-I190 HydrophobicContact CB-CD1 4.39Å; R147-I190 PolarHBondContact NH2-O 3.11Å; A151-I190 HydrophobicContact CB-CG2 4.08Å; F186-I190 HydrophobicContact CD2-CB 3.58Å; F186-I190 HydrophobicContact CD2-CG1 3.75Å; F186-I190 HydrophobicContact CD2-CG2 4.04Å; F186-I190 HydrophobicContact CE2-CB 3.7Å; F186-I190 HydrophobicContact CE2-CG1 4.21Å; F186-I190 HydrophobicContact CE2-CG2 3.63Å; F186-I190 WeakPolarHBondContact O-CB 3.34Å; F186-I190 PolarHBondContact O-N 3.01Å
191L97.3Very high97.4Very high59 Ų5941.5 Ų41.531%0.30921%0.214SC..THydrogen-bonded Turntrans-92.6-1.5-177.4-59.4-176000114M155 F186 Y187 S193M155-L191 HydrophobicContact CE-CD1 3.44Å; M155-L191 VanDerWaalsContact CE-CD1 3.44Å; F186-L191 HydrophobicContact CD1-CD1 4.04Å; F186-L191 HydrophobicContact CD1-CG 4.39Å; F186-L191 HydrophobicContact CE1-CD1 3.41Å; F186-L191 VanDerWaalsContact CE1-CD1 3.41Å; F186-L191 HydrophobicContact CE1-CD2 4.43Å; F186-L191 HydrophobicContact CE1-CG 3.86Å; F186-L191 HydrophobicContact CE2-CD2 4.29Å; F186-L191 HydrophobicContact CE2-CG 4.09Å; F186-L191 HydrophobicContact CZ-CD1 3.69Å; F186-L191 HydrophobicContact CZ-CD2 3.84Å; F186-L191 HydrophobicContact CZ-CG 3.68Å; F186-L191 PolarHBondContact O-N 2.95Å; Y187-L191 HydrophobicContact CD1-CD1 3.7Å; Y187-L191 HydrophobicContact CE1-CD1 3.83Å; Y187-L191 CarbonylContact O-C 3.25Å; L191-S193 PolarHBondContact O-N 3.41Å; L191-S193 PolarHBondContact O-OG 2.91Å
192N95.9Very high97.4Very high125 Ų12545.6 Ų45.667%0.66823%0.231SC*.  trans47.236.7-177.4-62.4-56.6000112.8Y187 Y188Y187-N192 PolarHBondContact O-N 3.45Å; Y188-N192 WeakPolarHBondContact O-CA 3.44Å; Y188-N192 PolarHBondContact O-N 3.29Å
193S96.5Very high97.4Very high36 Ų3649.5 Ų49.525%0.25225%0.249SC..  trans-110.764.5-174.1-66.60000109.7Y187 L191 D195 K196 A197Y187-S193 WeakPolarHBondContact O-CA 3.41Å; Y187-S193 PolarHBondContact O-N 2.73Å; L191-S193 PolarHBondContact O-N 3.41Å; L191-S193 PolarHBondContact O-OG 2.91Å; S193-D195 VanDerWaalsContact C-N 3.29Å; S193-D195 PolarHBondContact O-N 2.82Å; S193-K196 PolarHBondContact O-N 2.85Å; S193-A197 PolarHBondContact O-N 3.31Å
194S95.2Very high97.3Very high35 Ų3550.1 Ų50.125%0.24525%0.253CS..Hα-helixtrans-55.5-40.2-174.2-49.90000112.9K196 A197 C198S194-K196 VanDerWaalsContact C-N 3.34Å; S194-K196 PolarHBondContact O-N 3.45Å; S194-A197 PolarHBondContact O-N 3.1Å; S194-C198 WeakPolarHBondContact O-CB 3.37Å; S194-C198 PolarHBondContact O-N 2.92Å; S194-C198 PolarHBondContact O-SG 2.88Å; S194-C198 VanDerWaalsContact O-SG 3.33Å
195D95.1Very high97.3Very high106 Ų10652.2 Ų52.257%0.56726%0.263SS*.Hα-helixtrans-59-44.5176.5-65.2-50.1000112.1S193 N199 M241S193-D195 VanDerWaalsContact C-N 3.29Å; S193-D195 PolarHBondContact O-N 2.82Å; D195-N199 VanDerWaalsContact O-CB 3.31Å; D195-N199 WeakPolarHBondContact O-CB 3.26Å; D195-N199 PolarHBondContact O-N 3Å; D195-N199 PolarHBondContact O-ND2 3.03Å; D195-N199 VanDerWaalsContact O-ND2 3.13Å; D195-M241 WeakPolarHBondContact OD1-CE 3.43Å
196K96.9Very high97.3Very high125 Ų12556.5 Ų56.554%0.54328%0.281SS..Hα-helixtrans-68.1-40.4178.4-69.8-174.3178.6176.50111.4Y187 S193 S194 M200Y187-K196 HydrophobicContact CD1-CB 3.85Å; Y187-K196 HydrophobicContact CD1-CD 4.02Å; Y187-K196 HydrophobicContact CE1-CB 4.28Å; Y187-K196 HydrophobicContact CE1-CD 3.83Å; Y187-K196 HydrophobicContact CG-CB 4.03Å; S193-K196 PolarHBondContact O-N 2.85Å; S194-K196 VanDerWaalsContact C-N 3.34Å; S194-K196 PolarHBondContact O-N 3.45Å; K196-M200 WeakPolarHBondContact O-CB 3.24Å; K196-M200 PolarHBondContact O-N 3.29Å
197A97.5Very high97.2Very high0 Ų059.4 Ų59.40%030%0.295CS..Hα-helixtrans-60.3-50176.200000111.4S184 S193 S194 M200 A201 W237S184-A197 VanDerWaalsContact O-CB 3.28Å; S184-A197 WeakPolarHBondContact O-CB 3.3Å; S193-A197 PolarHBondContact O-N 3.31Å; S194-A197 PolarHBondContact O-N 3.1Å; A197-M200 PolarHBondContact O-N 3.29Å; A197-A201 WeakPolarHBondContact O-CB 3.03Å; A197-A201 PolarHBondContact O-N 2.87Å; A197-W237 HydrophobicContact CB-CE3 3.99Å; A197-W237 HydrophobicContact CB-CH2 4.46Å; A197-W237 HydrophobicContact CB-CZ3 3.86Å
198C97.4Very high97.1Very high14 Ų1458.5 Ų58.510%0.09529%0.291CS..Hα-helixtrans-62.9-45.8178.3-70.10000111.8S194 M200 A201 K202 L234S194-C198 WeakPolarHBondContact O-CB 3.37Å; S194-C198 PolarHBondContact O-N 2.92Å; S194-C198 PolarHBondContact O-SG 2.88Å; S194-C198 VanDerWaalsContact O-SG 3.33Å; C198-M200 VanDerWaalsContact C-N 3.33Å; C198-M200 PolarHBondContact O-N 3.21Å; C198-A201 PolarHBondContact O-N 3.34Å; C198-K202 WeakPolarHBondContact O-CB 3.49Å; C198-K202 PolarHBondContact O-N 3.41Å; C198-L234 HydrophobicContact CB-CD2 4.24Å; C198-L234 VanDerWaalsContact O-CD2 3.32Å; C198-L234 WeakPolarHBondContact O-CD2 3.43Å
199N97.6Very high97Very high107 Ų10760 Ų6057%0.57230%0.302SS*.Hα-helixtrans-60.3-44178.1-73.5-24.9000111.8D195 Q203D195-N199 VanDerWaalsContact O-CB 3.31Å; D195-N199 WeakPolarHBondContact O-CB 3.26Å; D195-N199 PolarHBondContact O-N 3Å; D195-N199 PolarHBondContact O-ND2 3.03Å; D195-N199 VanDerWaalsContact O-ND2 3.13Å; N199-Q203 VanDerWaalsContact O-CB 3.27Å; N199-Q203 WeakPolarHBondContact O-CB 3.32Å; N199-Q203 PolarHBondContact O-N 3.4Å
200M98Very high96.9Very high24 Ų2459.8 Ų59.812%0.11832%0.316CS..Hα-helixtrans-64.8-48.4178.2176.7170-7400112.3F183 Y187 K196 A197 C198 K202 Q203 A204F183-M200 HydrophobicContact CB-SD 3.66Å; F183-M200 HydrophobicContact CD1-CE 3.69Å; F183-M200 HydrophobicContact CD1-SD 3.84Å; F183-M200 HydrophobicContact CD2-SD 4.4Å; F183-M200 HydrophobicContact CE1-CE 4Å; F183-M200 HydrophobicContact CG-CE 4.03Å; F183-M200 HydrophobicContact CG-SD 3.68Å; Y187-M200 HydrophobicContact CD2-CE 4.11Å; Y187-M200 HydrophobicContact CD2-SD 4.04Å; Y187-M200 HydrophobicContact CE2-CE 3.52Å; Y187-M200 HydrophobicContact CE2-SD 4.02Å; K196-M200 WeakPolarHBondContact O-CB 3.24Å; K196-M200 PolarHBondContact O-N 3.29Å; A197-M200 PolarHBondContact O-N 3.29Å; C198-M200 VanDerWaalsContact C-N 3.33Å; C198-M200 PolarHBondContact O-N 3.21Å; M200-K202 VanDerWaalsContact C-N 3.33Å; M200-K202 PolarHBondContact O-N 3.26Å; M200-Q203 PolarHBondContact O-N 3.39Å; M200-A204 WeakPolarHBondContact O-CB 3.35Å; M200-A204 PolarHBondContact O-N 2.97Å
201A97.8Very high96.8Very high0 Ų062.8 Ų62.80%033%0.33CS..Hα-helixtrans-64.7-39.4-179.700000111.7A197 C198 F205 L230 L234 W237A197-A201 WeakPolarHBondContact O-CB 3.03Å; A197-A201 PolarHBondContact O-N 2.87Å; C198-A201 PolarHBondContact O-N 3.34Å; A201-F205 VanDerWaalsContact O-CB 3.31Å; A201-F205 WeakPolarHBondContact O-CB 3.48Å; A201-F205 PolarHBondContact O-N 3.26Å; A201-L230 HydrophobicContact CB-CD2 3.85Å; A201-L234 HydrophobicContact CB-CD1 4.34Å; A201-L234 HydrophobicContact CB-CD2 3.77Å; A201-L234 HydrophobicContact CB-CG 3.85Å; A201-W237 HydrophobicContact CB-CZ3 4.1Å
202K97.5Very high96.5Very high104 Ų10461.9 Ų61.945%0.45233%0.325SS..Hα-helixtrans-64.3-49.2176.6-178178.1174.6-177.40111.4C198 M200 A204 F205 E206 L234C198-K202 WeakPolarHBondContact O-CB 3.49Å; C198-K202 PolarHBondContact O-N 3.41Å; M200-K202 VanDerWaalsContact C-N 3.33Å; M200-K202 PolarHBondContact O-N 3.26Å; K202-A204 PolarHBondContact O-N 3.11Å; K202-F205 PolarHBondContact O-N 3.17Å; K202-E206 WeakPolarHBondContact CE-OE1 3.38Å; K202-E206 HydrophobicContact CG-CG 4.31Å; K202-E206 IonicContact NZ-OE1 2.95Å; K202-E206 WeakPolarHBondContact O-CB 3.49Å; K202-E206 WeakPolarHBondContact O-CG 3.31Å; K202-E206 PolarHBondContact O-N 3.06Å; K202-L234 HydrophobicContact CB-CD1 4.24Å; K202-L234 HydrophobicContact CB-CD2 4.06Å
203Q98.1Very high96.2Very high110 Ų11064 Ų6451%0.51434%0.336SS..Hα-helixtrans-57.4-49.6178.1179.5-178.6-700111.1N199 M200 F205 E206 E207N199-Q203 VanDerWaalsContact O-CB 3.27Å; N199-Q203 WeakPolarHBondContact O-CB 3.32Å; N199-Q203 PolarHBondContact O-N 3.4Å; M200-Q203 PolarHBondContact O-N 3.39Å; Q203-F205 VanDerWaalsContact C-N 3.3Å; Q203-F205 PolarHBondContact O-N 3Å; Q203-E206 PolarHBondContact O-N 2.84Å; Q203-E207 HydrophobicContact CG-CG 4.29Å; Q203-E207 VanDerWaalsContact CG-OE1 3.25Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.23Å; Q203-E207 PolarHBondContact NE2-OE1 2.91Å; Q203-E207 WeakPolarHBondContact O-CB 3.14Å; Q203-E207 VanDerWaalsContact O-CG 3.31Å; Q203-E207 WeakPolarHBondContact O-CG 3.26Å; Q203-E207 PolarHBondContact O-N 3.4Å
204A97.9Very high95.7Very high12 Ų1267.3 Ų67.310%0.09936%0.355CS..Hα-helixtrans-61.7-39.1179.700000112.6A180 M200 K202 A208 L230A180-A204 HydrophobicContact CB-CB 3.48Å; A180-A204 VanDerWaalsContact CB-CB 3.48Å; M200-A204 WeakPolarHBondContact O-CB 3.35Å; M200-A204 PolarHBondContact O-N 2.97Å; K202-A204 PolarHBondContact O-N 3.11Å; A204-A208 VanDerWaalsContact O-CB 3.28Å; A204-A208 WeakPolarHBondContact O-CB 3.35Å; A204-A208 PolarHBondContact O-N 3.44Å; A204-A208 VanDerWaalsContact O-N 3.1Å; A204-L230 HydrophobicContact CB-CD1 4.23Å
205F97.3Very high95.4Very high45 Ų4567 Ų6720%0.19735%0.351CS..Hα-helixtrans-67.2-44.2177.1-174.3-99.6000112.1A201 K202 Q203 A208 I209 M227 L230 R231A201-F205 VanDerWaalsContact O-CB 3.31Å; A201-F205 WeakPolarHBondContact O-CB 3.48Å; A201-F205 PolarHBondContact O-N 3.26Å; K202-F205 PolarHBondContact O-N 3.17Å; Q203-F205 VanDerWaalsContact C-N 3.3Å; Q203-F205 PolarHBondContact O-N 3Å; F205-A208 PolarHBondContact O-N 3.04Å; F205-I209 HydrophobicContact CD1-CD1 3.63Å; F205-I209 HydrophobicContact CD1-CG1 4.43Å; F205-I209 HydrophobicContact CE1-CD1 3.13Å; F205-I209 HydrophobicContact CE1-CG1 4.21Å; F205-I209 HydrophobicContact CE2-CD1 4.34Å; F205-I209 HydrophobicContact CG-CD1 4.43Å; F205-I209 HydrophobicContact CZ-CD1 3.54Å; F205-I209 HydrophobicContact CZ-CG1 4.39Å; F205-I209 WeakPolarHBondContact O-CB 3.31Å; F205-I209 WeakPolarHBondContact O-CG1 3.45Å; F205-I209 PolarHBondContact O-N 2.89Å; F205-M227 HydrophobicContact CD2-CB 4.06Å; F205-M227 WeakPolarHBondContact CD2-O 3.11Å; F205-M227 HydrophobicContact CE2-CB 4.02Å; F205-M227 VanDerWaalsContact CE2-O 3.31Å; F205-M227 WeakPolarHBondContact CE2-O 3.03Å; F205-L230 HydrophobicContact CD2-CB 4.41Å; F205-R231 HydrophobicContact CD2-CB 4.44Å; F205-R231 HydrophobicContact CE2-CB 3.91Å; F205-R231 HydrophobicContact CZ-CB 4.21Å; F205-R231 HydrophobicContact CZ-CG 4.35Å
206E97.8Very high95Very high107 Ų10764.2 Ų64.250%0.535%0.346SS..Hα-helixtrans-67.3-43.8179-72.4177.2164.400112.2K202 Q203 A208 I209 A210K202-E206 WeakPolarHBondContact CE-OE1 3.38Å; K202-E206 HydrophobicContact CG-CG 4.31Å; K202-E206 IonicContact NZ-OE1 2.95Å; K202-E206 WeakPolarHBondContact O-CB 3.49Å; K202-E206 WeakPolarHBondContact O-CG 3.31Å; K202-E206 PolarHBondContact O-N 3.06Å; Q203-E206 PolarHBondContact O-N 2.84Å; E206-A208 VanDerWaalsContact C-N 3.34Å; E206-A208 PolarHBondContact O-N 3.26Å; E206-I209 PolarHBondContact O-N 3.39Å; E206-A210 PolarHBondContact O-N 2.92Å; E206-A210 VanDerWaalsContact O-N 3.1Å
207E97.1Very high94.5Very high62 Ų6267.2 Ų67.229%0.2936%0.362SS..Hα-helixtrans-60.3-43.5174.8-71.3176.3-173.800111.3P171 R176 Q203 A210P171-E207 HydrophobicContact CB-CB 3.8Å; P171-E207 HydrophobicContact CG-CB 4.25Å; R176-E207 IonicContact NH2-OE2 3.38Å; R176-E207 PolarHBondContact NH2-OE2 2.58Å; Q203-E207 HydrophobicContact CG-CG 4.29Å; Q203-E207 VanDerWaalsContact CG-OE1 3.25Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.23Å; Q203-E207 PolarHBondContact NE2-OE1 2.91Å; Q203-E207 WeakPolarHBondContact O-CB 3.14Å; Q203-E207 VanDerWaalsContact O-CG 3.31Å; Q203-E207 WeakPolarHBondContact O-CG 3.26Å; Q203-E207 PolarHBondContact O-N 3.4Å; E207-A210 PolarHBondContact O-N 3.44Å
208A96Very high93.9Very high0 Ų076.1 Ų76.10%040%0.404CS..Hα-helixtrans-70.8-35.2179.500000113.2T172 L177 A204 F205 E206 A210 E211 L212 M227T172-A208 HydrophobicContact CG2-CB 4.4Å; T172-A208 WeakPolarHBondContact CG2-O 3.49Å; L177-A208 HydrophobicContact CD2-CB 3.76Å; A204-A208 VanDerWaalsContact O-CB 3.28Å; A204-A208 WeakPolarHBondContact O-CB 3.35Å; A204-A208 PolarHBondContact O-N 3.44Å; A204-A208 VanDerWaalsContact O-N 3.1Å; F205-A208 PolarHBondContact O-N 3.04Å; E206-A208 VanDerWaalsContact C-N 3.34Å; E206-A208 PolarHBondContact O-N 3.26Å; A208-A210 VanDerWaalsContact C-N 3.32Å; A208-E211 PolarHBondContact O-N 2.81Å; A208-L212 PolarHBondContact O-N 2.82Å; A208-M227 HydrophobicContact CB-CE 3.99Å; A208-M227 HydrophobicContact CB-CG 4.25Å; A208-M227 HydrophobicContact CB-SD 4.01Å
209I95.7Very high93.5Very high87 Ų8777.2 Ų77.245%0.44641%0.412SS..Hα-helixtrans-61.3-43.1172.8-79.5179.9000111F205 E206 E211 L212 M227F205-I209 HydrophobicContact CD1-CD1 3.63Å; F205-I209 HydrophobicContact CD1-CG1 4.43Å; F205-I209 HydrophobicContact CE1-CD1 3.13Å; F205-I209 HydrophobicContact CE1-CG1 4.21Å; F205-I209 HydrophobicContact CE2-CD1 4.34Å; F205-I209 HydrophobicContact CG-CD1 4.43Å; F205-I209 HydrophobicContact CZ-CD1 3.54Å; F205-I209 HydrophobicContact CZ-CG1 4.39Å; F205-I209 WeakPolarHBondContact O-CB 3.31Å; F205-I209 WeakPolarHBondContact O-CG1 3.45Å; F205-I209 PolarHBondContact O-N 2.89Å; E206-I209 PolarHBondContact O-N 3.39Å; I209-E211 PolarHBondContact O-N 3.2Å; I209-E211 VanDerWaalsContact O-N 3.15Å; I209-L212 PolarHBondContact O-N 3.29Å; I209-M227 HydrophobicContact CG1-CE 3.61Å
210A95.5Very high93.2Very high85 Ų8577.6 Ų77.670%0.70241%0.406SS*.Hα-helixtrans-61.8-23.8-176.800000113.2E206 E207 A208E206-A210 PolarHBondContact O-N 2.92Å; E206-A210 VanDerWaalsContact O-N 3.1Å; E207-A210 PolarHBondContact O-N 3.44Å; A208-A210 VanDerWaalsContact C-N 3.32Å
211E94.2Very high92.9Very high76 Ų7684 Ų8436%0.35543%0.434SS..THydrogen-bonded Turntrans-114.66.5-178.6-66.1-173.7-150.900113.4P171 T172 A208 I209 D213 T214P171-E211 WeakPolarHBondContact CD-OE2 3.29Å; T172-E211 HydrophobicContact CG2-CB 3.86Å; A208-E211 PolarHBondContact O-N 2.81Å; I209-E211 PolarHBondContact O-N 3.2Å; I209-E211 VanDerWaalsContact O-N 3.15Å; E211-D213 VanDerWaalsContact C-N 3.25Å; E211-D213 PolarHBondContact O-N 2.78Å; E211-T214 WeakPolarHBondContact O-CB 3.31Å; E211-T214 PolarHBondContact O-N 3.06Å; E211-T214 PolarHBondContact O-OG1 3.42Å
212L91.2Very high92.7Very high39 Ų3988.2 Ų88.220%0.20446%0.456CS..G310 helixtrans-60.2-34.2-172.1-172.962.7000113.1A208 I209 T214 L215 Y220 T224 M227A208-L212 PolarHBondContact O-N 2.82Å; I209-L212 PolarHBondContact O-N 3.29Å; L212-T214 PolarHBondContact O-N 2.95Å; L212-T214 VanDerWaalsContact O-N 3.16Å; L212-L215 HydrophobicContact CD1-CD2 4.01Å; L212-L215 VanDerWaalsContact O-CB 3.27Å; L212-L215 WeakPolarHBondContact O-CB 3.4Å; L212-L215 PolarHBondContact O-N 2.87Å; L212-L215 VanDerWaalsContact O-N 3.13Å; L212-Y220 HydrophobicContact CD1-CE2 4.28Å; L212-Y220 HydrophobicContact CG-CE2 4.47Å; L212-T224 HydrophobicContact CD1-CG2 4.17Å; L212-M227 HydrophobicContact CD1-CE 4.37Å; L212-M227 HydrophobicContact CD1-SD 4.05Å; L212-M227 HydrophobicContact CD2-CE 4.4Å
213D90.3Very high92.5Very high170 Ų17083.3 Ų83.391%0.90944%0.435SS*.G310 helixtrans-65.6-15.4179.1-66.9-22.9000113.2E211E211-D213 VanDerWaalsContact C-N 3.25Å; E211-D213 PolarHBondContact O-N 2.78Å
214T86.5Confident92.4Very high106 Ų10680.1 Ų80.165%0.6542%0.423SS*.G310 helixtrans-90.7-7.6178.571.70000113.2E211 L212E211-T214 WeakPolarHBondContact O-CB 3.31Å; E211-T214 PolarHBondContact O-N 3.06Å; E211-T214 PolarHBondContact O-OG1 3.42Å; L212-T214 PolarHBondContact O-N 2.95Å; L212-T214 VanDerWaalsContact O-N 3.16Å
215L87.4Confident92.3Very high29 Ų2984.2 Ų84.215%0.15244%0.443CS..  trans-77.7126.5-170.6-170.660.4000111.7L212 Y220L212-L215 HydrophobicContact CD1-CD2 4.01Å; L212-L215 VanDerWaalsContact O-CB 3.27Å; L212-L215 WeakPolarHBondContact O-CB 3.4Å; L212-L215 PolarHBondContact O-N 2.87Å; L212-L215 VanDerWaalsContact O-N 3.13Å; L215-Y220 HydrophobicContact CB-CD2 4.44Å; L215-Y220 HydrophobicContact CD2-CD2 4.14Å; L215-Y220 HydrophobicContact CG-CD2 4.44Å
216G86.7Confident92.2Very high46 Ų4683.4 Ų83.447%0.47444%0.44SS..  trans-69.9155.2175.400000113.3E218 S219 Y220G216-E218 PolarHBondContact O-N 3.24Å; G216-E218 VanDerWaalsContact O-N 3.17Å; G216-S219 PolarHBondContact O-N 3.39Å; G216-Y220 PolarHBondContact O-N 3.5Å; G216-Y220 VanDerWaalsContact O-N 3.08Å
217E87.4Confident92.2Very high188 Ų18878.8 Ų78.888%0.87942%0.419SS*.Hα-helixtrans-55.8-34.8-176.7-69.5-173.9169.600113.6S219 Y220E217-S219 PolarHBondContact O-N 3.39Å; E217-Y220 PolarHBondContact O-N 3.33Å
218E85.2Confident92.2Very high187 Ų18778.9 Ų78.987%0.87442%0.419SS*.Hα-helixtrans-61.8-41.3-177.9-172.6178.9-175.700112.6G216G216-E218 PolarHBondContact O-N 3.24Å; G216-E218 VanDerWaalsContact O-N 3.17Å
219S89Confident92.3Very high38 Ų3882.5 Ų82.527%0.26644%0.438SS..Hα-helixtrans-94.2-14.1179.8-66.90000113.3G216 E217 K221 D222 S223G216-S219 PolarHBondContact O-N 3.39Å; E217-S219 PolarHBondContact O-N 3.39Å; S219-K221 PolarHBondContact O-N 2.86Å; S219-D222 PolarHBondContact O-N 3.4Å; S219-S223 WeakPolarHBondContact O-CB 3.42Å; S219-S223 PolarHBondContact O-N 3.04Å; S219-S223 PolarHBondContact O-OG 3.29Å
220Y90.2Very high92.4Very high115 Ų11578.4 Ų78.445%0.45142%0.417SS..Hα-helixtrans-55-47.9-172-170.4-90.1000112.9L212 L215 G216 E217 D222 T224L212-Y220 HydrophobicContact CD1-CE2 4.28Å; L212-Y220 HydrophobicContact CG-CE2 4.47Å; L215-Y220 HydrophobicContact CB-CD2 4.44Å; L215-Y220 HydrophobicContact CD2-CD2 4.14Å; L215-Y220 HydrophobicContact CG-CD2 4.44Å; G216-Y220 PolarHBondContact O-N 3.5Å; G216-Y220 VanDerWaalsContact O-N 3.08Å; E217-Y220 PolarHBondContact O-N 3.33Å; Y220-D222 PolarHBondContact O-N 3.44Å; Y220-T224 HydrophobicContact CD1-CG2 4.13Å; Y220-T224 HydrophobicContact CE1-CG2 3.81Å; Y220-T224 HydrophobicContact CE2-CG2 4.24Å; Y220-T224 HydrophobicContact CG-CG2 4.47Å; Y220-T224 WeakPolarHBondContact O-CB 3.32Å; Y220-T224 VanDerWaalsContact O-CG2 3.26Å; Y220-T224 WeakPolarHBondContact O-CG2 3.41Å; Y220-T224 PolarHBondContact O-N 3.21Å; Y220-T224 PolarHBondContact O-OG1 3.43Å
221K92.8Very high92.5Very high159 Ų15979.9 Ų79.969%0.69140%0.404SS*.Hα-helixtrans-63-44.8-178.9-176.7-178173.8-172.50112.1S219 T224 L225S219-K221 PolarHBondContact O-N 2.86Å; K221-T224 PolarHBondContact O-OG1 2.93Å; K221-L225 WeakPolarHBondContact O-CB 3.36Å; K221-L225 PolarHBondContact O-N 2.69Å; K221-L225 VanDerWaalsContact O-N 3.1Å
222D92.3Very high92.6Very high88 Ų8879.5 Ų79.547%0.47140%0.404SS..Hα-helixtrans-72.4-44.7-176-71.6-11.5000111.2P174 S219 Y220 L225 I226P174-D222 HydrophobicContact CB-CB 4.16Å; P174-D222 HydrophobicContact CG-CB 4.12Å; S219-D222 PolarHBondContact O-N 3.4Å; Y220-D222 PolarHBondContact O-N 3.44Å; D222-L225 PolarHBondContact O-N 3.4Å; D222-I226 WeakPolarHBondContact O-CD1 3.42Å; D222-I226 VanDerWaalsContact O-CG1 3.26Å; D222-I226 WeakPolarHBondContact O-CG1 3.37Å; D222-I226 PolarHBondContact O-N 3.08Å
223S94.5Very high92.9Very high0 Ų079.3 Ų79.30%040%0.404CS..Hα-helixtrans-62.6-46.4177.3-59.90000112T172 P174 S219 L225 I226 M227T172-S223 WeakPolarHBondContact O-CB 3.47Å; T172-S223 PolarHBondContact O-OG 3.38Å; P174-S223 WeakPolarHBondContact CD-OG 3.47Å; P174-S223 WeakPolarHBondContact CG-OG 3.29Å; S219-S223 WeakPolarHBondContact O-CB 3.42Å; S219-S223 PolarHBondContact O-N 3.04Å; S219-S223 PolarHBondContact O-OG 3.29Å; S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 2.88Å; S223-I226 PolarHBondContact O-N 3.46Å; S223-I226 VanDerWaalsContact O-N 3.15Å; S223-M227 VanDerWaalsContact O-CG 3.24Å; S223-M227 WeakPolarHBondContact O-CG 3.32Å; S223-M227 PolarHBondContact O-N 3.43Å
224T95.2Very high93.1Very high43 Ų4372.5 Ų72.526%0.26437%0.367SS..Hα-helixtrans-66-35.3179.953.30000112.4L212 Y220 K221 M227 Q228L212-T224 HydrophobicContact CD1-CG2 4.17Å; Y220-T224 HydrophobicContact CD1-CG2 4.13Å; Y220-T224 HydrophobicContact CE1-CG2 3.81Å; Y220-T224 HydrophobicContact CE2-CG2 4.24Å; Y220-T224 HydrophobicContact CG-CG2 4.47Å; Y220-T224 WeakPolarHBondContact O-CB 3.32Å; Y220-T224 VanDerWaalsContact O-CG2 3.26Å; Y220-T224 WeakPolarHBondContact O-CG2 3.41Å; Y220-T224 PolarHBondContact O-N 3.21Å; Y220-T224 PolarHBondContact O-OG1 3.43Å; K221-T224 PolarHBondContact O-OG1 2.93Å; T224-M227 PolarHBondContact O-N 2.98Å; T224-Q228 WeakPolarHBondContact O-CB 3.5Å; T224-Q228 PolarHBondContact O-N 2.94Å
225L95.5Very high93.5Very high99 Ų9972 Ų7252%0.51836%0.364SS..Hα-helixtrans-61.8-43.2171.617861.6000111.6K221 D222 S223 Q228 L229K221-L225 WeakPolarHBondContact O-CB 3.36Å; K221-L225 PolarHBondContact O-N 2.69Å; K221-L225 VanDerWaalsContact O-N 3.1Å; D222-L225 PolarHBondContact O-N 3.4Å; S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 2.88Å; L225-Q228 WeakPolarHBondContact O-CB 3.44Å; L225-Q228 PolarHBondContact O-N 3.01Å; L225-L229 WeakPolarHBondContact O-CG 3.33Å; L225-L229 PolarHBondContact O-N 2.66Å; L225-L229 VanDerWaalsContact O-N 3.12Å
226I96.7Very high93.8Very high27 Ų2775 Ų7514%0.13838%0.38CS..Hα-helixtrans-69.6-39.9178.9-61.7163.1000111.2P174 L177 L181 D222 S223 Q228 L229 L230P174-I226 HydrophobicContact CB-CD1 4.12Å; P174-I226 VanDerWaalsContact O-CD1 3.28Å; P174-I226 WeakPolarHBondContact O-CD1 3.47Å; L177-I226 HydrophobicContact CB-CB 4.19Å; L177-I226 HydrophobicContact CB-CD1 4.37Å; L177-I226 HydrophobicContact CB-CG2 3.66Å; L181-I226 HydrophobicContact CB-CG2 4.23Å; L181-I226 HydrophobicContact CD2-CG2 4.12Å; D222-I226 WeakPolarHBondContact O-CD1 3.42Å; D222-I226 VanDerWaalsContact O-CG1 3.26Å; D222-I226 WeakPolarHBondContact O-CG1 3.37Å; D222-I226 PolarHBondContact O-N 3.08Å; S223-I226 PolarHBondContact O-N 3.46Å; S223-I226 VanDerWaalsContact O-N 3.15Å; I226-Q228 VanDerWaalsContact C-N 3.27Å; I226-Q228 PolarHBondContact O-N 3.26Å; I226-L229 WeakPolarHBondContact O-CB 3.27Å; I226-L229 PolarHBondContact O-N 2.74Å; I226-L229 VanDerWaalsContact O-N 3.16Å; I226-L230 PolarHBondContact O-N 3.38Å
227M97.6Very high94.2Very high11 Ų1173.1 Ų73.15%0.05436%0.358CS..Hα-helixtrans-60-39.3173.8-69.7168.472.100111.5L177 F205 A208 I209 L212 S223 T224 L230 R231L177-M227 HydrophobicContact CD1-CG 4.01Å; L177-M227 HydrophobicContact CD1-SD 4.49Å; L177-M227 HydrophobicContact CD2-CG 4.23Å; F205-M227 HydrophobicContact CD2-CB 4.06Å; F205-M227 WeakPolarHBondContact CD2-O 3.11Å; F205-M227 HydrophobicContact CE2-CB 4.02Å; F205-M227 VanDerWaalsContact CE2-O 3.31Å; F205-M227 WeakPolarHBondContact CE2-O 3.03Å; A208-M227 HydrophobicContact CB-CE 3.99Å; A208-M227 HydrophobicContact CB-CG 4.25Å; A208-M227 HydrophobicContact CB-SD 4.01Å; I209-M227 HydrophobicContact CG1-CE 3.61Å; L212-M227 HydrophobicContact CD1-CE 4.37Å; L212-M227 HydrophobicContact CD1-SD 4.05Å; L212-M227 HydrophobicContact CD2-CE 4.4Å; S223-M227 VanDerWaalsContact O-CG 3.24Å; S223-M227 WeakPolarHBondContact O-CG 3.32Å; S223-M227 PolarHBondContact O-N 3.43Å; T224-M227 PolarHBondContact O-N 2.98Å; M227-L230 WeakPolarHBondContact O-CB 3.11Å; M227-L230 PolarHBondContact O-N 3.14Å; M227-R231 PolarHBondContact O-N 2.99Å
228Q97.3Very high94.4Very high63 Ų6367 Ų6729%0.29433%0.334SS..Hα-helixtrans-60.4-45.7173.7176.455.33300111.5T224 L225 I226 L230 R231 D232T224-Q228 WeakPolarHBondContact O-CB 3.5Å; T224-Q228 PolarHBondContact O-N 2.94Å; L225-Q228 WeakPolarHBondContact O-CB 3.44Å; L225-Q228 PolarHBondContact O-N 3.01Å; I226-Q228 VanDerWaalsContact C-N 3.27Å; I226-Q228 PolarHBondContact O-N 3.26Å; Q228-L230 PolarHBondContact O-N 3.18Å; Q228-R231 WeakPolarHBondContact O-CB 3.23Å; Q228-R231 PolarHBondContact O-N 3.43Å; Q228-D232 PolarHBondContact NE2-OD1 2.89Å; Q228-D232 PolarHBondContact NE2-OD2 3.46Å; Q228-D232 PolarHBondContact O-N 3.4Å
229L97.1Very high94.6Very high77 Ų7761 Ų6140%0.40331%0.312SS..Hα-helixtrans-63.4-39.4176.3-66.3172.2000112.7L181 L225 I226 D232 N233L181-L229 HydrophobicContact CD1-CB 4.16Å; L181-L229 HydrophobicContact CD2-CB 3.92Å; L181-L229 HydrophobicContact CD2-CD1 3.94Å; L225-L229 WeakPolarHBondContact O-CG 3.33Å; L225-L229 PolarHBondContact O-N 2.66Å; L225-L229 VanDerWaalsContact O-N 3.12Å; I226-L229 WeakPolarHBondContact O-CB 3.27Å; I226-L229 PolarHBondContact O-N 2.74Å; I226-L229 VanDerWaalsContact O-N 3.16Å; L229-D232 PolarHBondContact O-N 2.95Å; L229-N233 WeakPolarHBondContact O-CB 3.29Å; L229-N233 PolarHBondContact O-N 3.37Å
230L97.6Very high94.5Very high0 Ų061.3 Ų61.30%031%0.311CS..Hα-helixtrans-59.7-45.7173.7-78167.8000111.4L177 L181 A201 A204 F205 I226 M227 Q228 D232 N233 L234L177-L230 HydrophobicContact CD2-CD1 4.02Å; L181-L230 HydrophobicContact CB-CD2 3.95Å; L181-L230 HydrophobicContact CB-CG 4.25Å; L181-L230 HydrophobicContact CD1-CD2 3.9Å; L181-L230 HydrophobicContact CD1-CG 4.12Å; A201-L230 HydrophobicContact CB-CD2 3.85Å; A204-L230 HydrophobicContact CB-CD1 4.23Å; F205-L230 HydrophobicContact CD2-CB 4.41Å; I226-L230 PolarHBondContact O-N 3.38Å; M227-L230 WeakPolarHBondContact O-CB 3.11Å; M227-L230 PolarHBondContact O-N 3.14Å; Q228-L230 PolarHBondContact O-N 3.18Å; L230-D232 VanDerWaalsContact C-N 3.35Å; L230-D232 PolarHBondContact O-N 2.62Å; L230-N233 PolarHBondContact O-N 3.33Å; L230-L234 WeakPolarHBondContact O-CG 3.47Å; L230-L234 PolarHBondContact O-N 2.96Å
231R97.2Very high94.2Very high117 Ų11757.8 Ų57.844%0.44230%0.3SS..Hα-helixtrans-62.4-41.8177.2-172.1-170.774.5-174.97112.3F205 M227 Q228 L234 T235F205-R231 HydrophobicContact CD2-CB 4.44Å; F205-R231 HydrophobicContact CE2-CB 3.91Å; F205-R231 HydrophobicContact CZ-CB 4.21Å; F205-R231 HydrophobicContact CZ-CG 4.35Å; M227-R231 PolarHBondContact O-N 2.99Å; Q228-R231 WeakPolarHBondContact O-CB 3.23Å; Q228-R231 PolarHBondContact O-N 3.43Å; R231-L234 PolarHBondContact O-N 2.9Å; R231-T235 PolarHBondContact O-N 3.43Å; R231-T235 PolarHBondContact O-OG1 2.99Å
232D97.7Very high93.7Very high67 Ų6755.9 Ų55.936%0.35829%0.293SS..Hα-helixtrans-67-41.6-178.8-65-12.1000110.5Q228 L229 L230 T235 L236Q228-D232 PolarHBondContact NE2-OD1 2.89Å; Q228-D232 PolarHBondContact NE2-OD2 3.46Å; Q228-D232 PolarHBondContact O-N 3.4Å; L229-D232 PolarHBondContact O-N 2.95Å; L230-D232 VanDerWaalsContact C-N 3.35Å; L230-D232 PolarHBondContact O-N 2.62Å; D232-T235 WeakPolarHBondContact O-CB 3.38Å; D232-T235 PolarHBondContact O-N 2.95Å; D232-L236 PolarHBondContact O-N 3.45Å
233N96.2Very high93.2Very high35 Ų3554.7 Ų54.719%0.18729%0.289CS..Hα-helixtrans-60.8-46.3172.1-79.1-5.2000112.4L181 L229 L230 T235 L236 W237L181-N233 VanDerWaalsContact CD1-ND2 3.28Å; L181-N233 WeakPolarHBondContact CD1-ND2 3.33Å; L229-N233 WeakPolarHBondContact O-CB 3.29Å; L229-N233 PolarHBondContact O-N 3.37Å; L230-N233 PolarHBondContact O-N 3.33Å; N233-T235 VanDerWaalsContact C-N 3.26Å; N233-T235 PolarHBondContact O-N 3.42Å; N233-L236 PolarHBondContact O-N 2.92Å; N233-W237 HydrophobicContact CB-CD2 4.15Å; N233-W237 HydrophobicContact CB-CE3 4.15Å; N233-W237 HydrophobicContact CB-CH2 3.7Å; N233-W237 HydrophobicContact CB-CZ2 3.68Å; N233-W237 HydrophobicContact CB-CZ3 3.93Å; N233-W237 WeakPolarHBondContact O-CB 3.49Å; N233-W237 VanDerWaalsContact O-CD2 3.28Å; N233-W237 PolarHBondContact O-N 2.86Å
234L95.6Very high92.4Very high28 Ų2859.8 Ų59.815%0.14732%0.316CS..Hα-helixtrans-57.3-41.6176-76.9169.2000112.2C198 A201 K202 L230 R231 T238C198-L234 HydrophobicContact CB-CD2 4.24Å; C198-L234 VanDerWaalsContact O-CD2 3.32Å; C198-L234 WeakPolarHBondContact O-CD2 3.43Å; A201-L234 HydrophobicContact CB-CD1 4.34Å; A201-L234 HydrophobicContact CB-CD2 3.77Å; A201-L234 HydrophobicContact CB-CG 3.85Å; K202-L234 HydrophobicContact CB-CD1 4.24Å; K202-L234 HydrophobicContact CB-CD2 4.06Å; L230-L234 WeakPolarHBondContact O-CG 3.47Å; L230-L234 PolarHBondContact O-N 2.96Å; R231-L234 PolarHBondContact O-N 2.9Å; L234-T238 WeakPolarHBondContact O-CB 3.45Å; L234-T238 PolarHBondContact O-N 2.98Å; L234-T238 PolarHBondContact O-OG1 3.4Å
235T94.9Very high91.4Very high94 Ų9463.3 Ų63.358%0.57733%0.33SS*.Hα-helixtrans-62.9-49.1178.1-56.30000110.8R231 D232 N233 S239R231-T235 PolarHBondContact O-N 3.43Å; R231-T235 PolarHBondContact O-OG1 2.99Å; D232-T235 WeakPolarHBondContact O-CB 3.38Å; D232-T235 PolarHBondContact O-N 2.95Å; N233-T235 VanDerWaalsContact C-N 3.26Å; N233-T235 PolarHBondContact O-N 3.42Å; T235-S239 WeakPolarHBondContact O-CB 3.31Å; T235-S239 PolarHBondContact O-N 2.85Å; T235-S239 VanDerWaalsContact O-N 3.15Å
236L93.6Very high90.1Very high93 Ų9365.2 Ų65.249%0.48734%0.338SS..Hα-helixtrans-59.7-55.1178.7178.963.4000111.3D232 N233 T238 S239 D240D232-L236 PolarHBondContact O-N 3.45Å; N233-L236 PolarHBondContact O-N 2.92Å; L236-T238 PolarHBondContact O-N 2.73Å; L236-S239 WeakPolarHBondContact O-CB 3.43Å; L236-S239 PolarHBondContact O-N 2.93Å; L236-S239 VanDerWaalsContact O-N 3.16Å; L236-D240 VanDerWaalsContact O-CG 3.31Å; L236-D240 PolarHBondContact O-N 3.15Å
237W95.6Very high88.9Confident6 Ų668.8 Ų68.82%0.02335%0.353CS..Hα-helixtrans-67.6-35.3-172.8-57.2-21.6000112.8V185 Y188 A197 A201 N233 D240 M241V185-W237 HydrophobicContact CG2-CH2 4.1Å; V185-W237 HydrophobicContact CG2-CZ2 4.01Å; Y188-W237 AromaticContact CD1-CD1 3.93Å; Y188-W237 AromaticContact CD1-CE2 4Å; Y188-W237 HydrophobicContact CD1-CZ2 4.5Å; Y188-W237 AromaticContact CD1-NE1 3.49Å; Y188-W237 HydrophobicContact CD2-CB 3.94Å; Y188-W237 AromaticContact CD2-CD1 3.4Å; Y188-W237 AromaticContact CD2-CD2 3.67Å; Y188-W237 HydrophobicContact CD2-CD2 3.67Å; Y188-W237 AromaticContact CD2-CE2 3.81Å; Y188-W237 HydrophobicContact CD2-CE3 4.46Å; Y188-W237 AromaticContact CD2-CG 3.39Å; Y188-W237 HydrophobicContact CD2-CG 3.39Å; Y188-W237 AromaticContact CD2-NE1 3.63Å; Y188-W237 AromaticContact CE1-CD1 3.71Å; Y188-W237 AromaticContact CE1-NE1 3.61Å; Y188-W237 HydrophobicContact CE2-CB 3.69Å; Y188-W237 AromaticContact CE2-CD1 3.11Å; Y188-W237 HydrophobicContact CE2-CD2 4.15Å; Y188-W237 AromaticContact CE2-CG 3.37Å; Y188-W237 HydrophobicContact CE2-CG 3.37Å; Y188-W237 AromaticContact CE2-NE1 3.73Å; Y188-W237 AromaticContact CG-CD1 3.8Å; Y188-W237 AromaticContact CG-CD2 3.97Å; Y188-W237 HydrophobicContact CG-CD2 3.97Å; Y188-W237 AromaticContact CG-CE2 3.63Å; Y188-W237 HydrophobicContact CG-CG 4.06Å; Y188-W237 HydrophobicContact CG-CZ2 4.14Å; Y188-W237 AromaticContact CG-NE1 3.51Å; Y188-W237 AromaticContact CZ-CD1 3.29Å; Y188-W237 AromaticContact CZ-NE1 3.72Å; A197-W237 HydrophobicContact CB-CE3 3.99Å; A197-W237 HydrophobicContact CB-CH2 4.46Å; A197-W237 HydrophobicContact CB-CZ3 3.86Å; A201-W237 HydrophobicContact CB-CZ3 4.1Å; N233-W237 HydrophobicContact CB-CD2 4.15Å; N233-W237 HydrophobicContact CB-CE3 4.15Å; N233-W237 HydrophobicContact CB-CH2 3.7Å; N233-W237 HydrophobicContact CB-CZ2 3.68Å; N233-W237 HydrophobicContact CB-CZ3 3.93Å; N233-W237 WeakPolarHBondContact O-CB 3.49Å; N233-W237 VanDerWaalsContact O-CD2 3.28Å; N233-W237 PolarHBondContact O-N 2.86Å; W237-D240 PolarHBondContact O-N 2.96Å; W237-M241 VanDerWaalsContact O-CG 3.29Å; W237-M241 WeakPolarHBondContact O-CG 3.31Å; W237-M241 PolarHBondContact O-N 3.44Å; W237-M241 VanDerWaalsContact O-N 3.07Å
238T91.2Very high87.6Confident60 Ų6073.9 Ų73.937%0.36838%0.377SS..Hα-helixtrans-67.7-38.4175.1-54.90000111.3L234 L236 M241 Q242L234-T238 WeakPolarHBondContact O-CB 3.45Å; L234-T238 PolarHBondContact O-N 2.98Å; L234-T238 PolarHBondContact O-OG1 3.4Å; L236-T238 PolarHBondContact O-N 2.73Å; T238-M241 PolarHBondContact O-N 2.99Å; T238-Q242 WeakPolarHBondContact O-CG 3.33Å; T238-Q242 PolarHBondContact O-N 3.42Å; T238-Q242 VanDerWaalsContact O-N 3.13Å
239S89.8Confident86.2Confident60 Ų6075 Ų7542%0.4238%0.384SS..Hα-helixtrans-63-44.8174.1179.60000111.5T235 L236 M241 Q242 T243T235-S239 WeakPolarHBondContact O-CB 3.31Å; T235-S239 PolarHBondContact O-N 2.85Å; T235-S239 VanDerWaalsContact O-N 3.15Å; L236-S239 WeakPolarHBondContact O-CB 3.43Å; L236-S239 PolarHBondContact O-N 2.93Å; L236-S239 VanDerWaalsContact O-N 3.16Å; S239-M241 VanDerWaalsContact C-N 3.31Å; S239-M241 PolarHBondContact O-N 3.28Å; S239-Q242 PolarHBondContact O-N 3.02Å; S239-T243 PolarHBondContact O-N 3.13Å; S239-T243 PolarHBondContact O-OG1 2.93Å
240D86.1Confident84.8Confident46 Ų4678.5 Ų78.525%0.24639%0.392CS..Hα-helixtrans-61.2-41.5178.6-64.4-25.8000111.8Y188 L236 W237 Q242 T243 N244Y188-D240 PolarHBondContact OH-OD2 3.48Å; L236-D240 VanDerWaalsContact O-CG 3.31Å; L236-D240 PolarHBondContact O-N 3.15Å; W237-D240 PolarHBondContact O-N 2.96Å; D240-Q242 PolarHBondContact O-N 3.01Å; D240-T243 PolarHBondContact O-N 3.04Å; D240-N244 WeakPolarHBondContact O-CB 3.15Å; D240-N244 PolarHBondContact O-N 3.45Å; D240-N244 PolarHBondContact O-ND2 3.37Å
241M83.4Confident83.6Confident41 Ų4182.7 Ų82.720%0.20241%0.414CS..Hα-helixtrans-62.5-41.9176.1-72.5173.566.600112.2D195 W237 T238 S239 N244 Q245D195-M241 WeakPolarHBondContact OD1-CE 3.43Å; W237-M241 VanDerWaalsContact O-CG 3.29Å; W237-M241 WeakPolarHBondContact O-CG 3.31Å; W237-M241 PolarHBondContact O-N 3.44Å; W237-M241 VanDerWaalsContact O-N 3.07Å; T238-M241 PolarHBondContact O-N 2.99Å; S239-M241 VanDerWaalsContact C-N 3.31Å; S239-M241 PolarHBondContact O-N 3.28Å; M241-N244 PolarHBondContact O-N 2.61Å; M241-Q245 WeakPolarHBondContact O-CB 3.4Å; M241-Q245 VanDerWaalsContact O-CG 3.26Å; M241-Q245 WeakPolarHBondContact O-CG 3.28Å; M241-Q245 PolarHBondContact O-N 3.24Å
242Q82.6Confident82.4Confident118 Ų11881 Ų8155%0.55141%0.413SS*.Hα-helixtrans-66.1-42.7177.2-70.7174.98.400111.8T238 S239 D240 Q245 M246T238-Q242 WeakPolarHBondContact O-CG 3.33Å; T238-Q242 PolarHBondContact O-N 3.42Å; T238-Q242 VanDerWaalsContact O-N 3.13Å; S239-Q242 PolarHBondContact O-N 3.02Å; D240-Q242 PolarHBondContact O-N 3.01Å; Q242-Q245 PolarHBondContact O-N 3.1Å; Q242-M246 PolarHBondContact O-N 2.9Å
243T81.3Confident81.1Confident63 Ų6384.2 Ų84.239%0.38742%0.424SS..Hα-helixtrans-61.4-46.9175.1-65.50000111.1S239 D240 Q245 M246 H247S239-T243 PolarHBondContact O-N 3.13Å; S239-T243 PolarHBondContact O-OG1 2.93Å; D240-T243 PolarHBondContact O-N 3.04Å; T243-Q245 VanDerWaalsContact C-N 3.34Å; T243-Q245 PolarHBondContact O-N 3.45Å; T243-M246 PolarHBondContact O-N 3.3Å; T243-H247 PolarHBondContact O-CD2 3.24Å; T243-H247 PolarHBondContact O-N 2.93Å
244N77.2Confident79.7Confident108 Ų10886.9 Ų86.958%0.57844%0.436SS*.Hα-helixtrans-61.9-40.1177.7-73.2-22.3000112.2D240 M241 H247 H248D240-N244 WeakPolarHBondContact O-CB 3.15Å; D240-N244 PolarHBondContact O-N 3.45Å; D240-N244 PolarHBondContact O-ND2 3.37Å; M241-N244 PolarHBondContact O-N 2.61Å; N244-H247 PolarHBondContact O-N 3.15Å; N244-H248 PolarHBondContact O-N 2.92Å
245Q74.8Confident78.3Confident116 Ų11691.6 Ų91.654%0.54246%0.457SS..Hα-helixtrans-64.7-41.9174-73.9175.625.300112.2M241 Q242 T243 H248 I249M241-Q245 WeakPolarHBondContact O-CB 3.4Å; M241-Q245 VanDerWaalsContact O-CG 3.26Å; M241-Q245 WeakPolarHBondContact O-CG 3.28Å; M241-Q245 PolarHBondContact O-N 3.24Å; Q242-Q245 PolarHBondContact O-N 3.1Å; T243-Q245 VanDerWaalsContact C-N 3.34Å; T243-Q245 PolarHBondContact O-N 3.45Å; Q245-H248 PolarHBondContact O-N 3.38Å; Q245-I249 VanDerWaalsContact O-CG1 3.31Å; Q245-I249 WeakPolarHBondContact O-CG1 3.27Å; Q245-I249 PolarHBondContact O-N 3.47Å
246M69.2Low77.1Confident140 Ų14090.3 Ų90.369%0.6945%0.448SS*.Hα-helixtrans-62.5-42175.8-83.5-176.661.600112.4Q242 T243 I249 R250Q242-M246 PolarHBondContact O-N 2.9Å; T243-M246 PolarHBondContact O-N 3.3Å; M246-I249 PolarHBondContact O-N 3.46Å; M246-R250 WeakPolarHBondContact O-CB 3.27Å; M246-R250 PolarHBondContact O-N 3.24Å
247H71.4Confident75.6Confident101 Ų10192.9 Ų92.947%0.46846%0.455SS..Hα-helixtrans-61-46.4173.9-81.5-72.5000111.2T243 N244 I249 R250 D251T243-H247 PolarHBondContact O-CD2 3.24Å; T243-H247 PolarHBondContact O-N 2.93Å; N244-H247 PolarHBondContact O-N 3.15Å; H247-I249 PolarHBondContact O-N 3.16Å; H247-R250 WeakPolarHBondContact O-CB 3.37Å; H247-R250 PolarHBondContact O-N 2.88Å; H247-R250 VanDerWaalsContact O-N 3.1Å; H247-D251 VanDerWaalsContact O-CG 3.27Å; H247-D251 PolarHBondContact O-N 3.17Å
248H70.3Confident73.9Confident119 Ų11996.3 Ų96.355%0.55148%0.477SS*.Hα-helixtrans-62.1-42.2178.3-167.946.7000112.9N244 Q245 R250 D251 I252N244-H248 PolarHBondContact O-N 2.92Å; Q245-H248 PolarHBondContact O-N 3.38Å; H248-R250 VanDerWaalsContact C-N 3.3Å; H248-R250 PolarHBondContact O-N 2.95Å; H248-D251 PolarHBondContact O-N 3.39Å; H248-I252 VanDerWaalsContact O-CG1 3.28Å; H248-I252 WeakPolarHBondContact O-CG1 3.45Å; H248-I252 PolarHBondContact O-N 3.06Å
249I67.9Low72.2Confident87 Ų8799 Ų9945%0.44649%0.485SS..Hα-helixtrans-63-38.6174.9-69.2167.1000111Q245 M246 H247 K253Q245-I249 VanDerWaalsContact O-CG1 3.31Å; Q245-I249 WeakPolarHBondContact O-CG1 3.27Å; Q245-I249 PolarHBondContact O-N 3.47Å; M246-I249 PolarHBondContact O-N 3.46Å; H247-I249 PolarHBondContact O-N 3.16Å; I249-K253 HydrophobicContact CG2-CD 4.24Å; I249-K253 WeakPolarHBondContact O-CB 3.36Å; I249-K253 VanDerWaalsContact O-CG 3.32Å; I249-K253 WeakPolarHBondContact O-CG 2.8Å; I249-K253 PolarHBondContact O-N 3.38Å
250R68.1Low70.6Confident149 Ų149101.8 Ų101.856%0.56250%0.495SS*.Hα-helixtrans-65.5-45.3176.7-177.3-179.1172.4172.2-2.9111.2M246 H247 H248 I252 K253 E254M246-R250 WeakPolarHBondContact O-CB 3.27Å; M246-R250 PolarHBondContact O-N 3.24Å; H247-R250 WeakPolarHBondContact O-CB 3.37Å; H247-R250 PolarHBondContact O-N 2.88Å; H247-R250 VanDerWaalsContact O-N 3.1Å; H248-R250 VanDerWaalsContact C-N 3.3Å; H248-R250 PolarHBondContact O-N 2.95Å; R250-I252 VanDerWaalsContact C-N 3.34Å; R250-I252 PolarHBondContact O-N 3.3Å; R250-K253 WeakPolarHBondContact O-CB 3.34Å; R250-K253 PolarHBondContact O-N 3.12Å; R250-K253 VanDerWaalsContact O-N 3.13Å; R250-E254 IonicContact CZ-OE1 2.64Å; R250-E254 IonicContact NE-OE1 3.03Å; R250-E254 PolarHBondContact NE-OE1 3.43Å; R250-E254 IonicContact NH2-OE1 3Å; R250-E254 PolarHBondContact NH2-OE1 3.23Å; R250-E254 PolarHBondContact O-N 2.88Å
251D71.6Confident69.2Low88 Ų88105.2 Ų105.247%0.47152%0.518SS..Hα-helixtrans-62.4-42.3178.6-65.5-17.2000111H247 H248 K253 E254 H255H247-D251 VanDerWaalsContact O-CG 3.27Å; H247-D251 PolarHBondContact O-N 3.17Å; H248-D251 PolarHBondContact O-N 3.39Å; D251-K253 PolarHBondContact O-N 3.34Å; D251-E254 PolarHBondContact O-N 3.45Å; D251-H255 WeakPolarHBondContact O-CB 2.87Å; D251-H255 PolarHBondContact O-N 3.14Å
252I72.1Confident67.7Low82 Ų82106.6 Ų106.642%0.42154%0.535SS..Hα-helixtrans-60.7-45.1172.9-68.2165.9000110.7H248 R250 E254 H255 V256H248-I252 VanDerWaalsContact O-CG1 3.28Å; H248-I252 WeakPolarHBondContact O-CG1 3.45Å; H248-I252 PolarHBondContact O-N 3.06Å; R250-I252 VanDerWaalsContact C-N 3.34Å; R250-I252 PolarHBondContact O-N 3.3Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.07Å; I252-H255 PolarHBondContact O-N 3.36Å; I252-V256 HydrophobicContact CG2-CG2 4.25Å; I252-V256 WeakPolarHBondContact O-CB 3.4Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.37Å; I252-V256 PolarHBondContact O-N 3.44Å
253K69.6Low65.7Low135 Ų135109.1 Ų109.159%0.58754%0.544SS*.Hα-helixtrans-63.7-38.1178-77.7177.7-179.1179.40112.3I249 R250 D251 K257I249-K253 HydrophobicContact CG2-CD 4.24Å; I249-K253 WeakPolarHBondContact O-CB 3.36Å; I249-K253 VanDerWaalsContact O-CG 3.32Å; I249-K253 WeakPolarHBondContact O-CG 2.8Å; I249-K253 PolarHBondContact O-N 3.38Å; R250-K253 WeakPolarHBondContact O-CB 3.34Å; R250-K253 PolarHBondContact O-N 3.12Å; R250-K253 VanDerWaalsContact O-N 3.13Å; D251-K253 PolarHBondContact O-N 3.34Å; K253-K257 WeakPolarHBondContact O-CB 3.44Å; K253-K257 WeakPolarHBondContact O-CG 3.49Å; K253-K257 PolarHBondContact O-N 2.95Å
254E66.6Low63.7Low91 Ų91111.1 Ų111.143%0.42556%0.559SS.*Hα-helixtrans-68.1-43175.2-75.8-178.4-167.100110.9R250 D251 I252 K257 T258R250-E254 IonicContact CZ-OE1 2.64Å; R250-E254 IonicContact NE-OE1 3.03Å; R250-E254 PolarHBondContact NE-OE1 3.43Å; R250-E254 IonicContact NH2-OE1 3Å; R250-E254 PolarHBondContact NH2-OE1 3.23Å; R250-E254 PolarHBondContact O-N 2.88Å; D251-E254 PolarHBondContact O-N 3.45Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.07Å; E254-K257 PolarHBondContact O-N 3.06Å; E254-T258 WeakPolarHBondContact O-CG2 3.33Å; E254-T258 PolarHBondContact O-N 3.33Å; E254-T258 PolarHBondContact O-OG1 2.73Å
255H66.3Low61.9Low127 Ų127110.3 Ų110.359%0.58856%0.561SS**Hα-helixtrans-60.1-47.7174.3-122.274000112.2D251 I252 K257 T258 E259D251-H255 WeakPolarHBondContact O-CB 2.87Å; D251-H255 PolarHBondContact O-N 3.14Å; I252-H255 PolarHBondContact O-N 3.36Å; H255-K257 VanDerWaalsContact C-N 3.33Å; H255-K257 PolarHBondContact O-N 3.37Å; H255-T258 WeakPolarHBondContact CA-OG1 3.15Å; H255-T258 PolarHBondContact O-N 2.87Å; H255-T258 VanDerWaalsContact O-N 3.15Å; H255-T258 PolarHBondContact O-OG1 3.08Å; H255-E259 PolarHBondContact O-N 2.95Å
256V69.5Low60.3Low66 Ų66110.1 Ų110.140%0.457%0.567SS.*Hα-helixtrans-63-39.9177.7171.20000111.1I252 E259 I260I252-V256 HydrophobicContact CG2-CG2 4.25Å; I252-V256 WeakPolarHBondContact O-CB 3.4Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.37Å; I252-V256 PolarHBondContact O-N 3.44Å; V256-E259 PolarHBondContact O-N 2.77Å; V256-I260 HydrophobicContact CG1-CD1 3.71Å; V256-I260 HydrophobicContact CG1-CG1 4.32Å; V256-I260 WeakPolarHBondContact O-CB 3.25Å; V256-I260 VanDerWaalsContact O-CG1 3.25Å; V256-I260 WeakPolarHBondContact O-CG1 3.28Å; V256-I260 PolarHBondContact O-N 3.13Å
257K62.8Low58.7Low147 Ų147110.1 Ų110.164%0.63957%0.569SS**Hα-helixtrans-60.8-45.1173.3-82179.9-179.9-178.50111.4K253 E254 H255 E259 I260 T261K253-K257 WeakPolarHBondContact O-CB 3.44Å; K253-K257 WeakPolarHBondContact O-CG 3.49Å; K253-K257 PolarHBondContact O-N 2.95Å; E254-K257 PolarHBondContact O-N 3.06Å; H255-K257 VanDerWaalsContact C-N 3.33Å; H255-K257 PolarHBondContact O-N 3.37Å; K257-E259 PolarHBondContact O-N 3.09Å; K257-I260 PolarHBondContact O-N 2.94Å; K257-T261 WeakPolarHBondContact O-CG2 3.36Å; K257-T261 PolarHBondContact O-N 2.66Å; K257-T261 PolarHBondContact O-OG1 3.19Å; K257-T261 VanDerWaalsContact O-OG1 3.08Å
258T60.9Low57.2Low79 Ų79109 Ų10949%0.48557%0.572SS.*Hα-helixtrans-63-40.7178.253.60000112.1E254 H255 T261 A262E254-T258 WeakPolarHBondContact O-CG2 3.33Å; E254-T258 PolarHBondContact O-N 3.33Å; E254-T258 PolarHBondContact O-OG1 2.73Å; H255-T258 WeakPolarHBondContact CA-OG1 3.15Å; H255-T258 PolarHBondContact O-N 2.87Å; H255-T258 VanDerWaalsContact O-N 3.15Å; H255-T258 PolarHBondContact O-OG1 3.08Å; T258-T261 WeakPolarHBondContact CA-OG1 3.49Å; T258-T261 PolarHBondContact O-N 3Å; T258-T261 PolarHBondContact O-OG1 3.15Å; T258-A262 WeakPolarHBondContact O-CB 3.38Å; T258-A262 PolarHBondContact O-N 3.39Å
259E54.4Low55.7Low115 Ų115112.4 Ų112.454%0.53758%0.582SS.*Hα-helixtrans-66.1-40.4175.6-76.6-174.2174.700112.9H255 V256 K257 A262 K263H255-E259 PolarHBondContact O-N 2.95Å; V256-E259 PolarHBondContact O-N 2.77Å; K257-E259 PolarHBondContact O-N 3.09Å; E259-A262 PolarHBondContact O-N 3.38Å; E259-K263 PolarHBondContact O-N 3.1Å
260I55.7Low54.4Low120 Ų120117.7 Ų117.762%0.61560%0.597SS**Hα-helixtrans-65.2-41.2176.5-68.9168.8000110.5V256 K257 A262V256-I260 HydrophobicContact CG1-CD1 3.71Å; V256-I260 HydrophobicContact CG1-CG1 4.32Å; V256-I260 WeakPolarHBondContact O-CB 3.25Å; V256-I260 VanDerWaalsContact O-CG1 3.25Å; V256-I260 WeakPolarHBondContact O-CG1 3.28Å; V256-I260 PolarHBondContact O-N 3.13Å; K257-I260 PolarHBondContact O-N 2.94Å; I260-A262 VanDerWaalsContact C-N 3.31Å
261T57.2Low53.1Low118 Ų118121 Ų12172%0.72461%0.611SS**Hα-helixtrans-71.7-26.5175.354.40000113.1K257 T258K257-T261 WeakPolarHBondContact O-CG2 3.36Å; K257-T261 PolarHBondContact O-N 2.66Å; K257-T261 PolarHBondContact O-OG1 3.19Å; K257-T261 VanDerWaalsContact O-OG1 3.08Å; T258-T261 WeakPolarHBondContact CA-OG1 3.49Å; T258-T261 PolarHBondContact O-N 3Å; T258-T261 PolarHBondContact O-OG1 3.15Å
262A52.8Low51.6Low70 Ų70121.3 Ų121.358%0.57962%0.621SS**Hα-helixtrans-85.5-17.3-178.200000113.5T258 E259 I260 P264T258-A262 WeakPolarHBondContact O-CB 3.38Å; T258-A262 PolarHBondContact O-N 3.39Å; E259-A262 PolarHBondContact O-N 3.38Å; I260-A262 VanDerWaalsContact C-N 3.31Å; A262-P264 WeakPolarHBondContact O-CD 3.25Å; A262-P264 VanDerWaalsContact O-N 3.14Å
263K39Very low49.9Very low170 Ų170129.5 Ų129.574%0.73966%0.66SS**SBendtrans-72102.5170-81.1-171.9-179.9178.40108.8E259 C265E259-K263 PolarHBondContact O-N 3.1Å; K263-C265 PolarHBondContact O-N 2.95Å
264P39.9Very low48.9Very low106 Ų106129.2 Ų129.269%0.68866%0.664SS**  trans-66.7141.1-179.1-8.627.7000107.3A262 V266A262-P264 WeakPolarHBondContact O-CD 3.25Å; A262-P264 VanDerWaalsContact O-N 3.14Å; P264-V266 VanDerWaalsContact C-N 3.31Å; P264-V266 VanDerWaalsContact O-CG2 3.25Å; P264-V266 WeakPolarHBondContact O-CG2 3.45Å; P264-V266 PolarHBondContact O-N 2.56Å
265C39.3Very low48Very low91 Ų91131.2 Ų131.262%0.61568%0.676SS**  trans-41.687.8172-166.90000112.2K263 L267 S268K263-C265 PolarHBondContact O-N 2.95Å; C265-L267 PolarHBondContact O-N 3.22Å; C265-L267 VanDerWaalsContact O-N 3.14Å; C265-S268 PolarHBondContact O-N 3.39Å
266V41Very low47Very low111 Ų111131.4 Ų131.467%0.67368%0.681SS**G310 helixtrans-69.6-5.2173-165.70000110.5P264 S268P264-V266 VanDerWaalsContact C-N 3.31Å; P264-V266 VanDerWaalsContact O-CG2 3.25Å; P264-V266 WeakPolarHBondContact O-CG2 3.45Å; P264-V266 PolarHBondContact O-N 2.56Å; V266-S268 VanDerWaalsContact C-N 3.31Å; V266-S268 PolarHBondContact O-N 3.49Å
267L37.1Very low45.6Very low141 Ų141135.3 Ų135.374%0.73870%0.698SS**G310 helixtrans-76.3-11.2174.8-72.5169.4000114.1C265C265-L267 PolarHBondContact O-N 3.22Å; C265-L267 VanDerWaalsContact O-N 3.14Å
268S39.4Very low44.6Very low76 Ų76134.6 Ų134.653%0.53170%0.701SS.*G310 helixtrans-82.6-11.4176.877.30000114.4C265 V266C265-S268 PolarHBondContact O-N 3.39Å; V266-S268 VanDerWaalsContact C-N 3.31Å; V266-S268 PolarHBondContact O-N 3.49Å
269Y39.1Very low43.5Very low192 Ų192138.3 Ų138.375%0.75372%0.716SS**G310 helixtrans-83.1-13.6179.9-106-83.7000114.2
270Y41Very low42.7Very low198 Ų198139.9 Ų139.978%0.77673%0.729SS**G310 helixtrans-93.8-0.4-178.3-86.5-78.2000115.4
271Y40.2Very low41.7Very low217 Ų217141.5 Ų141.585%0.85174%0.737SS**SBendtrans-116.420.1179.7-87.6-76.4000114.8
272S38.8Very low40.4Very low96 Ų96143.4 Ų143.467%0.67174%0.738SS**  trans-130.324.3175.155.50000115.4
273M37.2Very low39.3Very low253 Ų253150.1 Ų150.1100%1.24675%0.753SS**  trans-111.50157.7-78.3-175.5174.900109.2

Retrieved 273 of 273 residues in 492.5 ms (Link to these results)

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