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Isoform Beta of E3 ubiquitin-protein ligase TRIM34A AlphaSync

Canonical isoform description: Functions as antiviral protein and contributes to the defense against retroviral infections (By similarity). Acts as a capsid-specific restriction factor with the help of TRIM5 and prevents infection from non-host-adapted retroviruses. During influenza A virus infection, promotes programmed cell death by targeting ZBP1 for 'Lys-63'-linked polyubiquitination. In turn, promotes ZBP1 recruitment of RIPK3 to mediate virus-induced programmed necrosis (By similarity). Negatively regulates the function of mitochondria by enhancing mitochondrial depolarization leading to cytochrome c release and mitochondria-dependent apoptosis. Also promotes the formation of multinucleated giant cells by means of cell fusion and phagocytosis in epithelial cells (By similarity). Plays an essential role in sustaining the integrity of the inner mucus layer in the colon by controlling the exocytosis of the major component of colonic mucus MUC2 from colonic goblet cells1.

AlphaFold DB , UniProt , Accession Q99PP6-2 (canonical: Q99PP6), Species MOUSE (Mus musculus, Mouse), Gene Trim34a, Length 339 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
1M33.5Very low55.5Low225 Ų225102.2 Ų102.2100%1.10859%0.588SS**  0-30.10-69.2-67.1169.800113.7
2A48.4Very low57.2Low83 Ų83102.7 Ų102.769%0.68658%0.578SS**  trans-78.3-27.8-175.700000116.2T4 G5A2-T4 PolarHBondContact O-N 3.03Å; A2-G5 PolarHBondContact O-N 3.12Å
3S47.7Very low59.2Low99 Ų9995.1 Ų95.169%0.69254%0.536SS*.Hα-helixtrans-68.9-29.8-172-44.50000114.1G5 T7S3-G5 VanDerWaalsContact C-N 3.3Å; S3-G5 PolarHBondContact O-N 3.09Å; S3-T7 PolarHBondContact O-OG1 3.12Å
4T46.5Very low60.9Low103 Ų10391.7 Ų91.763%0.63252%0.518SS*.Hα-helixtrans-73.5-20179.72.20000113.2A2 T7 N8A2-T4 PolarHBondContact O-N 3.03Å; T4-T7 PolarHBondContact O-OG1 2.65Å; T4-N8 WeakPolarHBondContact O-CB 3.4Å
5G50.5Low62.7Low40 Ų4085.6 Ų85.641%0.41248%0.484SS..Hα-helixtrans-78.3-41.218000000113.5A2 S3 I9A2-G5 PolarHBondContact O-N 3.12Å; S3-G5 VanDerWaalsContact C-N 3.3Å; S3-G5 PolarHBondContact O-N 3.09Å; G5-I9 WeakPolarHBondContact O-CG1 3.34Å; G5-I9 PolarHBondContact O-N 3.35Å
6L56.3Low64.1Low110 Ų11084.7 Ų84.758%0.57648%0.482SS*.Hα-helixtrans-71.7-40.5-177.1-83.8159.4000112.9N8 I9 Q10L6-N8 VanDerWaalsContact C-N 3.3Å; L6-N8 PolarHBondContact O-N 3.33Å; L6-I9 PolarHBondContact O-N 3.22Å; L6-Q10 PolarHBondContact O-N 3.12Å
7T58.2Low65.4Low73 Ų7383.5 Ų83.545%0.44848%0.477SS..Hα-helixtrans-61-41.9176.151.50000111.1S3 T4 I9 Q10 E11S3-T7 PolarHBondContact O-OG1 3.12Å; T4-T7 PolarHBondContact O-OG1 2.65Å; T7-I9 VanDerWaalsContact C-N 3.3Å; T7-I9 PolarHBondContact O-N 3.3Å; T7-Q10 PolarHBondContact O-N 3.46Å; T7-E11 PolarHBondContact O-N 3.46Å
8N62.8Low66.6Low77 Ų7781.8 Ų81.841%0.41247%0.471SS..Hα-helixtrans-67.8-26.9179.8-154.8-16.4000112.8T4 L6 K12T4-N8 WeakPolarHBondContact O-CB 3.4Å; L6-N8 VanDerWaalsContact C-N 3.3Å; L6-N8 PolarHBondContact O-N 3.33Å; N8-K12 VanDerWaalsContact O-CD 3.27Å; N8-K12 WeakPolarHBondContact O-CD 3.07Å; N8-K12 VanDerWaalsContact O-CG 3.23Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 WeakPolarHBondContact OD1-CE 3.26Å; N8-K12 PolarHBondContact OD1-NZ 3.22Å
9I68.9Low67.6Low77 Ų7785.9 Ų85.940%0.39549%0.485SS..Hα-helixtrans-79.8-39.3173-64.8168.3000111.1G5 L6 T7 K12 T13 L80G5-I9 WeakPolarHBondContact O-CG1 3.34Å; G5-I9 PolarHBondContact O-N 3.35Å; L6-I9 PolarHBondContact O-N 3.22Å; T7-I9 VanDerWaalsContact C-N 3.3Å; T7-I9 PolarHBondContact O-N 3.3Å; I9-K12 PolarHBondContact O-N 3.13Å; I9-T13 HydrophobicContact CG2-CG2 4.33Å; I9-T13 WeakPolarHBondContact O-CG2 3.46Å; I9-T13 PolarHBondContact O-N 2.94Å; I9-T13 VanDerWaalsContact O-N 3.15Å; I9-T13 PolarHBondContact O-OG1 3.06Å; I9-L80 HydrophobicContact CG2-CD1 3.64Å
10Q67.3Low68.4Low86 Ų8688.4 Ų88.440%0.40249%0.492SS..Hα-helixtrans-61.7-48.2176.6-78.7-174.8-16.700111.5L6 T7 K12 T13 T14 L80L6-Q10 PolarHBondContact O-N 3.12Å; T7-Q10 PolarHBondContact O-N 3.46Å; Q10-K12 PolarHBondContact O-N 3.49Å; Q10-K12 VanDerWaalsContact O-N 3.13Å; Q10-T13 PolarHBondContact O-N 3.45Å; Q10-T13 PolarHBondContact O-OG1 3.27Å; Q10-T14 WeakPolarHBondContact O-CB 3.33Å; Q10-T14 PolarHBondContact O-N 3.43Å; Q10-T14 PolarHBondContact O-OG1 2.99Å; Q10-L80 HydrophobicContact CG-CD2 4.32Å
11E70.5Confident69.1Low151 Ų15185.7 Ų85.771%0.70648%0.477SS*.Hα-helixtrans-55.8-32.8175.1-74.2176.7-179.600112.7T7T7-E11 PolarHBondContact O-N 3.46Å
12K76.1Confident71.4Confident108 Ų10875.1 Ų75.147%0.4743%0.425SS..Hα-helixtrans-82-12.4179-69.8173.7-171.7170.40114.5N8 I9 Q10N8-K12 VanDerWaalsContact O-CD 3.27Å; N8-K12 WeakPolarHBondContact O-CD 3.07Å; N8-K12 VanDerWaalsContact O-CG 3.23Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 WeakPolarHBondContact OD1-CE 3.26Å; N8-K12 PolarHBondContact OD1-NZ 3.22Å; I9-K12 PolarHBondContact O-N 3.13Å; Q10-K12 PolarHBondContact O-N 3.49Å; Q10-K12 VanDerWaalsContact O-N 3.13Å
13T82.5Confident72.9Confident4 Ų476.2 Ų76.23%0.02542%0.423CS..Hα-helixtrans-119.2-4.6-174.453.50000114I9 Q10 L22 V76 V77I9-T13 HydrophobicContact CG2-CG2 4.33Å; I9-T13 WeakPolarHBondContact O-CG2 3.46Å; I9-T13 PolarHBondContact O-N 2.94Å; I9-T13 VanDerWaalsContact O-N 3.15Å; I9-T13 PolarHBondContact O-OG1 3.06Å; Q10-T13 PolarHBondContact O-N 3.45Å; Q10-T13 PolarHBondContact O-OG1 3.27Å; T13-L22 WeakPolarHBondContact O-CB 3.4Å; T13-L22 WeakPolarHBondContact O-CD1 3.48Å; T13-L22 VanDerWaalsContact O-CG 3.24Å; T13-L22 WeakPolarHBondContact O-CG 3.39Å; T13-L22 PolarHBondContact O-N 3.24Å; T13-V76 HydrophobicContact CG2-CG1 3.96Å; T13-V77 HydrophobicContact CG2-CG2 4.32Å
14T84Confident74.5Confident48 Ų4878 Ų7829%0.29442%0.418SS..BIsolated β-bridgetrans-90.5138.8175.2-60.10000111Q10 Q19Q10-T14 WeakPolarHBondContact O-CB 3.33Å; Q10-T14 PolarHBondContact O-N 3.43Å; Q10-T14 PolarHBondContact O-OG1 2.99Å; T14-Q19 WeakPolarHBondContact CG2-O 3.22Å
15C86.8Confident76.3Confident0 Ų073.2 Ų73.20%039%0.389CS..  trans-74.7123.2174.2-175.60000109.9V17 C18 Q19 E20 L22 C35C15-V17 PolarHBondContact O-N 2.98Å; C15-C18 VanDerWaalsContact CB-SG 3.51Å; C15-Q19 WeakPolarHBondContact O-CA 3.39Å; C15-Q19 PolarHBondContact O-N 3.49Å; C15-E20 WeakPolarHBondContact CB-O 3.33Å; C15-E20 PolarHBondContact N-O 3.26Å; C15-L22 HydrophobicContact CB-CD2 3.63Å; C15-L22 HydrophobicContact CB-CG 4.22Å; C15-C35 VanDerWaalsContact CB-SG 3.6Å; C15-C35 PolarHBondContact SG-N 3.36Å
16P85.6Confident78Confident71 Ų7172 Ų7246%0.46137%0.373SS..THydrogen-bonded Turntrans-68.1-9.117927.9-34.4000113.5R33 V34 V57P16-R33 WeakPolarHBondContact CD-O 3.45Å; P16-V34 HydrophobicContact CG-CG1 3.99Å; P16-V57 HydrophobicContact CB-CG2 4.08Å; P16-V57 HydrophobicContact CG-CG2 3.52Å
17V86.1Confident79.4Confident65 Ų6568.8 Ų68.839%0.39436%0.36SS..THydrogen-bonded Turntrans-94.8-51.6-178.7-176.40000112.2C15 V34 C38 P56C15-V17 PolarHBondContact O-N 2.98Å; V17-V34 HydrophobicContact CG2-CG1 4.12Å; V17-C38 HydrophobicContact CB-CB 3.96Å; V17-C38 HydrophobicContact CG1-CB 3.95Å; V17-C38 HydrophobicContact CG2-CB 4.48Å; V17-P56 HydrophobicContact CG2-CB 4.06Å; V17-P56 HydrophobicContact CG2-CG 3.84Å
18C87.9Confident80.6Confident53 Ų5365.6 Ų65.636%0.35834%0.34SS..THydrogen-bonded Turntrans-99.9-6.3-179.665.70000113.9C15 E20 C38C15-C18 VanDerWaalsContact CB-SG 3.51Å; C18-E20 PolarHBondContact O-N 3.39Å; C18-C38 VanDerWaalsContact CB-SG 3.59Å
19Q84.3Confident81.4Confident159 Ų15965.8 Ų65.874%0.74336%0.361SS*.  trans61.311.3-178.4-53.5-178.89.900115T14 C15T14-Q19 WeakPolarHBondContact CG2-O 3.22Å; C15-Q19 WeakPolarHBondContact O-CA 3.39Å; C15-Q19 PolarHBondContact O-N 3.49Å
20E84.1Confident82.2Confident136 Ų13664.3 Ų64.364%0.63636%0.357SS*.SBendtrans-96.2166.8173.8-64.6-61.9160.600111.9C15 C18 L22C15-E20 WeakPolarHBondContact CB-O 3.33Å; C15-E20 PolarHBondContact N-O 3.26Å; C18-E20 PolarHBondContact O-N 3.39Å; E20-L22 PolarHBondContact O-N 2.71Å
21L82.9Confident82.9Confident32 Ų3262.8 Ų62.817%0.16836%0.364CS..BIsolated β-bridgetrans-55.4139.7169.7-78.2173.2000111T23 V77 L80 K84L21-T23 PolarHBondContact O-N 2.86Å; L21-V77 HydrophobicContact CB-CG1 3.97Å; L21-L80 HydrophobicContact CD2-CD2 3.76Å; L21-K84 HydrophobicContact CD1-CD 4.19Å
22L82.2Confident83.8Confident3 Ų358.8 Ų58.82%0.01635%0.345CS..  trans-67102.3-175.2-76.5163000112.6T13 C15 E20 A25 R33 V34 L73 V77T13-L22 WeakPolarHBondContact O-CB 3.4Å; T13-L22 WeakPolarHBondContact O-CD1 3.48Å; T13-L22 VanDerWaalsContact O-CG 3.24Å; T13-L22 WeakPolarHBondContact O-CG 3.39Å; T13-L22 PolarHBondContact O-N 3.24Å; C15-L22 HydrophobicContact CB-CD2 3.63Å; C15-L22 HydrophobicContact CB-CG 4.22Å; E20-L22 PolarHBondContact O-N 2.71Å; L22-A25 HydrophobicContact CB-CB 3.77Å; L22-A25 HydrophobicContact CD1-CB 4.11Å; L22-A25 HydrophobicContact CD2-CB 4.17Å; L22-A25 HydrophobicContact CG-CB 4.26Å; L22-R33 HydrophobicContact CD1-CB 3.97Å; L22-V34 VanDerWaalsContact CD2-C 3.41Å; L22-L73 HydrophobicContact CB-CD2 4.16Å; L22-L73 HydrophobicContact CD1-CD2 3.36Å; L22-L73 HydrophobicContact CG-CD2 4.39Å; L22-V77 HydrophobicContact CB-CG2 4.21Å
23T80Confident84.3Confident105 Ų10557.6 Ų57.664%0.64434%0.337SS*.THydrogen-bonded Turntrans-86.7120.5169.9-48.60000109.9L21 C35L21-T23 PolarHBondContact O-N 2.86Å; T23-C35 PolarHBondContact N-SG 2.91Å
24K81.6Confident84.6Confident137 Ų13757.4 Ų57.460%0.59634%0.336SS*.THydrogen-bonded Turntrans49.661.1-173.9-64-179.5179.2177.40111.7L26 Q36K24-L26 PolarHBondContact O-N 3.06Å; K24-Q36 HydrophobicContact CB-CB 4.18Å; K24-Q36 PolarHBondContact O-N 3.46Å
25A84.8Confident84.8Confident2 Ų255.4 Ų55.42%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-61.3130.4-17800000112.6L22 A69 N70 L73L22-A25 HydrophobicContact CB-CB 3.77Å; L22-A25 HydrophobicContact CD1-CB 4.11Å; L22-A25 HydrophobicContact CD2-CB 4.17Å; L22-A25 HydrophobicContact CG-CB 4.26Å; A25-A69 WeakPolarHBondContact O-CA 3.48Å; A25-N70 PolarHBondContact O-N 3.2Å; A25-L73 HydrophobicContact CB-CB 4.34Å; A25-L73 HydrophobicContact CB-CD2 3.48Å; A25-L73 VanDerWaalsContact CB-CD2 3.48Å
26L85.1Confident84.8Confident15 Ų1559.2 Ų59.28%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-101.3131.5169.4-60.6178.2000109.3K24 R33 V34 Q36 L39 L67 A69K24-L26 PolarHBondContact O-N 3.06Å; L26-R33 WeakPolarHBondContact O-CA 3.27Å; L26-V34 PolarHBondContact N-O 2.77Å; L26-V34 PolarHBondContact O-N 3.41Å; L26-V34 VanDerWaalsContact O-N 3.15Å; L26-Q36 HydrophobicContact CD1-CB 4.19Å; L26-Q36 HydrophobicContact CD1-CG 4.24Å; L26-Q36 HydrophobicContact CG-CB 4.3Å; L26-L39 HydrophobicContact CD1-CD2 3.71Å; L26-L67 HydrophobicContact CB-CD1 4.46Å; L26-L67 HydrophobicContact CD1-CD1 4.12Å; L26-L67 HydrophobicContact CD2-CB 4.35Å; L26-A69 HydrophobicContact CD2-CB 4.31Å
27S85.3Confident84.8Confident42 Ų4258.9 Ų58.929%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-95.2117.6173.1-570000109L67 N70S27-L67 WeakPolarHBondContact O-CD2 3.2Å; S27-N70 PolarHBondContact OG-ND2 3.13Å
28L84.4Confident84.8Confident6 Ų656.7 Ų56.73%0.03133%0.333CS..PPolyproline II helixtrans-83.2157.5179.6-56.3178.5000110.3C30 G31 H32 V34 L39 C55 F62 L67L28-C30 PolarHBondContact O-N 2.92Å; L28-G31 PolarHBondContact O-N 2.76Å; L28-H32 PolarHBondContact N-O 3.35Å; L28-V34 HydrophobicContact CD1-CG2 4.34Å; L28-L39 HydrophobicContact CD2-CD2 4.3Å; L28-C55 HydrophobicContact CD1-CB 3.92Å; L28-F62 HydrophobicContact CD1-CD1 4.33Å; L28-F62 HydrophobicContact CD1-CE1 3.82Å; L28-F62 HydrophobicContact CD1-CZ 4.34Å; L28-F62 HydrophobicContact CD2-CD1 4.11Å; L28-F62 HydrophobicContact CD2-CD2 4.11Å; L28-F62 HydrophobicContact CD2-CE1 3.73Å; L28-F62 HydrophobicContact CD2-CE2 3.79Å; L28-F62 HydrophobicContact CD2-CG 4.3Å; L28-F62 HydrophobicContact CD2-CZ 3.58Å; L28-F62 HydrophobicContact CG-CE1 4.32Å; L28-L67 HydrophobicContact CD2-CD1 3.53Å; L28-L67 HydrophobicContact CD2-CD2 3.9Å; L28-L67 HydrophobicContact CD2-CG 4.4Å
29G79.1Confident84.7Confident82 Ų8254.7 Ų54.785%0.84532%0.318SS*.THydrogen-bonded Turntrans-59.7-18.9179.100000115G31G29-G31 VanDerWaalsContact C-N 3.32Å
30C85.5Confident84.6Confident46 Ų4650.9 Ų50.931%0.31130%0.302SS..THydrogen-bonded Turntrans-82.9-1.9172.658.60000114.3L28 C58 T60L28-C30 PolarHBondContact O-N 2.92Å; C30-C58 VanDerWaalsContact SG-SG 3.62Å; C30-T60 HydrophobicContact CB-CG2 4.29Å
31G83.4Confident84.5Confident54 Ų5449.1 Ų49.156%0.55730%0.301SS*.SBendtrans91.2-13.2-178.900000115.6L28 G29L28-G31 PolarHBondContact O-N 2.76Å; G29-G31 VanDerWaalsContact C-N 3.32Å
32H88.4Confident84.2Confident66 Ų6653.5 Ų53.531%0.30632%0.319SS..  trans-71.7146.2176-66.6115.4000112.6L28 V57 C58L28-H32 PolarHBondContact N-O 3.35Å; H32-V57 HydrophobicContact CB-CB 4.34Å; H32-V57 HydrophobicContact CB-CG2 4.13Å; H32-V57 WeakPolarHBondContact NE2-CG1 3.46Å; H32-C58 PolarHBondContact ND1-SG 3.07Å; H32-C58 VanDerWaalsContact ND1-SG 3.39Å
33R87.4Confident83.8Confident83 Ų8357.7 Ų57.731%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-119.1131.5-178-68.7177.6-81.1-139.2-6.6111.1P16 L22 L26P16-R33 WeakPolarHBondContact CD-O 3.45Å; L22-R33 HydrophobicContact CD1-CB 3.97Å; L26-R33 WeakPolarHBondContact O-CA 3.27Å
34V88.4Confident83.4Confident0 Ų058.8 Ų58.80%034%0.339CS..EExtended strand (participates in β ladder)trans-142153.2-176.9-66.30000111.6P16 V17 L22 L26 L28 L39 P56P16-V34 HydrophobicContact CG-CG1 3.99Å; V17-V34 HydrophobicContact CG2-CG1 4.12Å; L22-V34 VanDerWaalsContact CD2-C 3.41Å; L26-V34 PolarHBondContact N-O 2.77Å; L26-V34 PolarHBondContact O-N 3.41Å; L26-V34 VanDerWaalsContact O-N 3.15Å; L28-V34 HydrophobicContact CD1-CG2 4.34Å; V34-L39 HydrophobicContact CG2-CB 4.17Å; V34-L39 HydrophobicContact CG2-CD1 3.97Å; V34-L39 HydrophobicContact CG2-CG 4.45Å; V34-P56 HydrophobicContact CG1-CG 3.92Å
35C88Confident82.7Confident7 Ų755.9 Ų55.95%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-63.5142.1173.6-61.90000110.6C15 T23 A37 C38 L39C15-C35 VanDerWaalsContact CB-SG 3.6Å; C15-C35 PolarHBondContact SG-N 3.36Å; T23-C35 PolarHBondContact N-SG 2.91Å; C35-A37 VanDerWaalsContact C-N 3.27Å; C35-A37 PolarHBondContact O-N 3.34Å; C35-C38 HydrophobicContact CB-CB 4.07Å; C35-C38 PolarHBondContact O-N 3.23Å; C35-C38 VanDerWaalsContact O-N 3.16Å; C35-L39 PolarHBondContact O-N 3Å
36Q86.3Confident81.7Confident79 Ų7959.3 Ų59.337%0.36936%0.361SS..Hα-helixtrans-54.1-44.8173.8-177.1178.515.200111.9K24 L26 C38 L39 I40K24-Q36 HydrophobicContact CB-CB 4.18Å; K24-Q36 PolarHBondContact O-N 3.46Å; L26-Q36 HydrophobicContact CD1-CB 4.19Å; L26-Q36 HydrophobicContact CD1-CG 4.24Å; L26-Q36 HydrophobicContact CG-CB 4.3Å; Q36-C38 PolarHBondContact O-N 3.47Å; Q36-L39 PolarHBondContact O-N 3.24Å; Q36-I40 HydrophobicContact CG-CD1 3.92Å; Q36-I40 VanDerWaalsContact O-CG1 3.32Å; Q36-I40 WeakPolarHBondContact O-CG1 3.46Å; Q36-I40 PolarHBondContact O-N 2.81Å
37A85.3Confident80.4Confident64 Ų6466.8 Ų66.853%0.52940%0.399SS..Hα-helixtrans-60.4-46.4177.900000112.1C35 L39 I40 T41C35-A37 VanDerWaalsContact C-N 3.27Å; C35-A37 PolarHBondContact O-N 3.34Å; A37-L39 VanDerWaalsContact C-N 3.3Å; A37-L39 PolarHBondContact O-N 3.36Å; A37-I40 PolarHBondContact O-N 3.34Å; A37-T41 PolarHBondContact O-N 2.98Å; A37-T41 PolarHBondContact O-OG1 2.84Å
38C86.8Confident79.1Confident19 Ų1969.5 Ų69.513%0.12841%0.41CS..Hα-helixtrans-61.7-38.1179-64.50000112.6V17 C18 C35 Q36 K42V17-C38 HydrophobicContact CB-CB 3.96Å; V17-C38 HydrophobicContact CG1-CB 3.95Å; V17-C38 HydrophobicContact CG2-CB 4.48Å; C18-C38 VanDerWaalsContact CB-SG 3.59Å; C35-C38 HydrophobicContact CB-CB 4.07Å; C35-C38 PolarHBondContact O-N 3.23Å; C35-C38 VanDerWaalsContact O-N 3.16Å; Q36-C38 PolarHBondContact O-N 3.47Å; C38-K42 WeakPolarHBondContact O-CB 3.35Å; C38-K42 PolarHBondContact O-N 3.45Å
39L85.3Confident77.8Confident11 Ų1174.6 Ų74.66%0.05844%0.444CS..Hα-helixtrans-69.2-40.5178.1-165.471.9000111.7L26 L28 V34 C35 Q36 A37 K42 K43 F62 L64 L67L26-L39 HydrophobicContact CD1-CD2 3.71Å; L28-L39 HydrophobicContact CD2-CD2 4.3Å; V34-L39 HydrophobicContact CG2-CB 4.17Å; V34-L39 HydrophobicContact CG2-CD1 3.97Å; V34-L39 HydrophobicContact CG2-CG 4.45Å; C35-L39 PolarHBondContact O-N 3Å; Q36-L39 PolarHBondContact O-N 3.24Å; A37-L39 VanDerWaalsContact C-N 3.3Å; A37-L39 PolarHBondContact O-N 3.36Å; L39-K42 PolarHBondContact O-N 3.2Å; L39-K43 WeakPolarHBondContact O-CB 3.24Å; L39-K43 PolarHBondContact O-N 3.13Å; L39-F62 HydrophobicContact CD1-CZ 3.88Å; L39-F62 HydrophobicContact CD2-CE2 4.24Å; L39-F62 HydrophobicContact CD2-CZ 4Å; L39-F62 HydrophobicContact CG-CZ 4.43Å; L39-L64 HydrophobicContact CD2-CD1 3.63Å; L39-L64 HydrophobicContact CG-CD1 4.38Å; L39-L67 HydrophobicContact CD2-CD1 3.82Å
40I82.6Confident76.7Confident79 Ų7982 Ų8241%0.40545%0.446SS..Hα-helixtrans-63.5-47.7175.4-67.4166.9000110.6Q36 A37 K42 K43 N44Q36-I40 HydrophobicContact CG-CD1 3.92Å; Q36-I40 VanDerWaalsContact O-CG1 3.32Å; Q36-I40 WeakPolarHBondContact O-CG1 3.46Å; Q36-I40 PolarHBondContact O-N 2.81Å; A37-I40 PolarHBondContact O-N 3.34Å; I40-K42 VanDerWaalsContact C-N 3.31Å; I40-K42 PolarHBondContact O-N 3.45Å; I40-K43 PolarHBondContact O-N 3.46Å; I40-N44 PolarHBondContact O-N 2.9Å
41T81.8Confident75.7Confident100 Ų10084.6 Ų84.661%0.61345%0.454SS*.Hα-helixtrans-58.4-43.1178.2-56.70000111.5A37 N44 A45A37-T41 PolarHBondContact O-N 2.98Å; A37-T41 PolarHBondContact O-OG1 2.84Å; T41-N44 PolarHBondContact O-N 3.01Å; T41-A45 PolarHBondContact O-N 2.97Å
42K77.7Confident75Confident123 Ų12389.4 Ų89.454%0.53546%0.46SS..Hα-helixtrans-66.8-38.6177.7-167.269.4174.3-179.20112.2C38 L39 I40 A45C38-K42 WeakPolarHBondContact O-CB 3.35Å; C38-K42 PolarHBondContact O-N 3.45Å; L39-K42 PolarHBondContact O-N 3.2Å; I40-K42 VanDerWaalsContact C-N 3.31Å; I40-K42 PolarHBondContact O-N 3.45Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.5Å
43K73.3Confident74.5Confident91 Ų9187.3 Ų87.340%0.39645%0.452SS..Hα-helixtrans-62.6-43.9176.3-176.3177.5176.91760111.7L39 I40 A45 V46 L64L39-K43 WeakPolarHBondContact O-CB 3.24Å; L39-K43 PolarHBondContact O-N 3.13Å; I40-K43 PolarHBondContact O-N 3.46Å; K43-A45 PolarHBondContact O-N 3.3Å; K43-V46 PolarHBondContact O-N 2.98Å; K43-V46 VanDerWaalsContact O-N 3.1Å; K43-L64 HydrophobicContact CD-CD2 4.16Å
44N70.9Confident74.3Confident129 Ų12986.3 Ų86.369%0.6946%0.458SS*.Hα-helixtrans-65-18.5178.5-68.2-13.1000113.3I40 T41I40-N44 PolarHBondContact O-N 2.9Å; T41-N44 PolarHBondContact O-N 3.01Å
45A66.4Low74.1Confident76 Ų7686.4 Ų86.463%0.62846%0.458SS*.THydrogen-bonded Turntrans-83.7-9.7175.800000113.9T41 K42 K43T41-A45 PolarHBondContact O-N 2.97Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.5Å; K43-A45 PolarHBondContact O-N 3.3Å
46V64.6Low74Confident73 Ų7388.3 Ų88.344%0.44247%0.471SS..SBendtrans-88.7123177.3-179.40000109.2K43 N48K43-V46 PolarHBondContact O-N 2.98Å; K43-V46 VanDerWaalsContact O-N 3.1Å; V46-N48 PolarHBondContact O-N 3.28Å; V46-N48 VanDerWaalsContact O-N 3.14Å
47I57.6Low73.9Confident173 Ų17387.6 Ų87.689%0.88747%0.472SS*.SBendtrans-61.5-24.6-172.4-61.8170.3000112.7P49I47-P49 WeakPolarHBondContact O-CD 3.33Å
48N58.3Low74Confident98 Ų9887.6 Ų87.652%0.52447%0.467SS..  trans-112.7103.7-173.6-149.6-19.8000112.3V46 R50 E51V46-N48 PolarHBondContact O-N 3.28Å; V46-N48 VanDerWaalsContact O-N 3.14Å; N48-R50 PolarHBondContact O-N 2.87Å; N48-R50 VanDerWaalsContact O-N 3.15Å; N48-E51 PolarHBondContact O-N 3.36Å
49P57Low73.9Confident114 Ų11488.7 Ų88.774%0.7448%0.482SS*.THydrogen-bonded Turntrans-69.1-11.9-174.924-31.8000114.5I47I47-P49 WeakPolarHBondContact O-CD 3.33Å
50R56Low73.9Confident236 Ų23691.6 Ų91.689%0.89150%0.5SS*.THydrogen-bonded Turntrans-85.4-8178.3-70.2-173.3177.7-170.70.2114.2N48N48-R50 PolarHBondContact O-N 2.87Å; N48-R50 VanDerWaalsContact O-N 3.15Å
51E63.4Low74Confident101 Ų10195.6 Ų95.647%0.47251%0.51SS..SBendtrans-80.4137.5-178.9-161.2170.8-176.800112N48 S53 R61N48-E51 PolarHBondContact O-N 3.36Å; E51-S53 PolarHBondContact O-N 3.41Å; E51-R61 IonicContact OE1-CZ 2.86Å; E51-R61 IonicContact OE1-NH2 3.7Å; E51-R61 PolarHBondContact OE1-NH2 3.5Å
52K69Low73.8Confident156 Ų15692 Ų9268%0.67849%0.486SS*.PPolyproline II helixtrans-57.3132.1173.3-69.2-179.6179.61780109.4R61K52-R61 HydrophobicContact CB-CB 4.37Å
53S78.7Confident73.8Confident21 Ų2189 Ų8915%0.14748%0.481CS..EExtended strand (participates in β ladder)trans-62.2137.9-179.7-57.70000111.1E51 R61 F62E51-S53 PolarHBondContact O-N 3.41Å; S53-R61 CarbonylContact O-C 3.56Å; S53-R61 WeakPolarHBondContact O-CA 3.49Å; S53-F62 WeakPolarHBondContact O-CD1 3.4Å; S53-F62 PolarHBondContact O-N 3.01Å
54S82.6Confident73.7Confident62 Ų6287.7 Ų87.743%0.43448%0.478SS..EExtended strand (participates in β ladder)trans-107.2148.117957.10000111.5G59 T60 F62S54-G59 WeakPolarHBondContact CB-O 3.37Å; S54-T60 WeakPolarHBondContact CA-O 3.49Å; S54-F62 VanDerWaalsContact C-CE1 3.44Å
55C85.7Confident73.6Confident2 Ų289.8 Ų89.81%0.01448%0.483CS..  trans-62.2126.6174.8177.80000109.4L28 V57 G59 T60L28-C55 HydrophobicContact CD1-CB 3.92Å; C55-V57 PolarHBondContact O-N 3.11Å; C55-V57 VanDerWaalsContact O-N 3.12Å; C55-V57 PolarHBondContact SG-N 3.1Å; C55-V57 VanDerWaalsContact SG-N 3.38Å; C55-G59 VanDerWaalsContact O-CA 3.23Å; C55-G59 WeakPolarHBondContact O-CA 3.26Å; C55-G59 PolarHBondContact O-N 2.88Å; C55-T60 PolarHBondContact N-O 3.45Å
56P84.2Confident73.6Confident47 Ų4792.7 Ų92.731%0.30549%0.488SS..THydrogen-bonded Turntrans-68.9-9.8179.328.7-35.2000113.4V17 V34V17-P56 HydrophobicContact CG2-CB 4.06Å; V17-P56 HydrophobicContact CG2-CG 3.84Å; V34-P56 HydrophobicContact CG1-CG 3.92Å
57V84.5Confident74Confident65 Ų6590.9 Ų90.939%0.39448%0.476SS..THydrogen-bonded Turntrans-97.2-49.1-179.1-170.80000111.6P16 H32 C55P16-V57 HydrophobicContact CB-CG2 4.08Å; P16-V57 HydrophobicContact CG-CG2 3.52Å; H32-V57 HydrophobicContact CB-CB 4.34Å; H32-V57 HydrophobicContact CB-CG2 4.13Å; H32-V57 WeakPolarHBondContact NE2-CG1 3.46Å; C55-V57 PolarHBondContact O-N 3.11Å; C55-V57 VanDerWaalsContact O-N 3.12Å; C55-V57 PolarHBondContact SG-N 3.1Å; C55-V57 VanDerWaalsContact SG-N 3.38Å
58C87.9Confident74.7Confident63 Ų6390.8 Ų90.843%0.42647%0.472SS..THydrogen-bonded Turntrans-120.5-2.3-175.163.70000115.2C30 H32 T60C30-C58 VanDerWaalsContact SG-SG 3.62Å; H32-C58 PolarHBondContact ND1-SG 3.07Å; H32-C58 VanDerWaalsContact ND1-SG 3.39Å; C58-T60 VanDerWaalsContact C-N 3.26Å; C58-T60 PolarHBondContact O-N 3.23Å; C58-T60 PolarHBondContact SG-OG1 3.35Å
59G84Confident75.5Confident43 Ų4388.6 Ų88.644%0.44347%0.467SS..  trans77.8-5179.100000116S54 C55 R61S54-G59 WeakPolarHBondContact CB-O 3.37Å; C55-G59 VanDerWaalsContact O-CA 3.23Å; C55-G59 WeakPolarHBondContact O-CA 3.26Å; C55-G59 PolarHBondContact O-N 2.88Å; G59-R61 PolarHBondContact O-N 3.3Å
60T86Confident76.4Confident72 Ų7285.3 Ų85.344%0.44244%0.444SS..  trans-57127.3178.4-500000111.3C30 S54 C55 C58C30-T60 HydrophobicContact CB-CG2 4.29Å; S54-T60 WeakPolarHBondContact CA-O 3.49Å; C55-T60 PolarHBondContact N-O 3.45Å; C58-T60 VanDerWaalsContact C-N 3.26Å; C58-T60 PolarHBondContact O-N 3.23Å; C58-T60 PolarHBondContact SG-OG1 3.35Å
61R84Confident77.3Confident163 Ų16382.1 Ų82.162%0.61544%0.436SS*.EExtended strand (participates in β ladder)trans-74137.5178.5-69.8176.5168.8151.7-6.5111.2E51 K52 S53 G59E51-R61 IonicContact OE1-CZ 2.86Å; E51-R61 IonicContact OE1-NH2 3.7Å; E51-R61 PolarHBondContact OE1-NH2 3.5Å; K52-R61 HydrophobicContact CB-CB 4.37Å; S53-R61 CarbonylContact O-C 3.56Å; S53-R61 WeakPolarHBondContact O-CA 3.49Å; G59-R61 PolarHBondContact O-N 3.3Å
62F78.9Confident77.9Confident23 Ų2384.7 Ų84.710%0.10145%0.448CS..EExtended strand (participates in β ladder)trans-142.7163.5177.864.8-93.2000111.3L28 L39 S53 S54 L64 L67L28-F62 HydrophobicContact CD1-CD1 4.33Å; L28-F62 HydrophobicContact CD1-CE1 3.82Å; L28-F62 HydrophobicContact CD1-CZ 4.34Å; L28-F62 HydrophobicContact CD2-CD1 4.11Å; L28-F62 HydrophobicContact CD2-CD2 4.11Å; L28-F62 HydrophobicContact CD2-CE1 3.73Å; L28-F62 HydrophobicContact CD2-CE2 3.79Å; L28-F62 HydrophobicContact CD2-CG 4.3Å; L28-F62 HydrophobicContact CD2-CZ 3.58Å; L28-F62 HydrophobicContact CG-CE1 4.32Å; L39-F62 HydrophobicContact CD1-CZ 3.88Å; L39-F62 HydrophobicContact CD2-CE2 4.24Å; L39-F62 HydrophobicContact CD2-CZ 4Å; L39-F62 HydrophobicContact CG-CZ 4.43Å; S53-F62 WeakPolarHBondContact O-CD1 3.4Å; S53-F62 PolarHBondContact O-N 3.01Å; S54-F62 VanDerWaalsContact C-CE1 3.44Å; F62-L64 HydrophobicContact CE2-CD1 3.91Å; F62-L67 HydrophobicContact CD2-CD1 3.98Å; F62-L67 HydrophobicContact CD2-CD2 4.42Å; F62-L67 HydrophobicContact CD2-CG 4.38Å; F62-L67 HydrophobicContact CE2-CD1 3.58Å; F62-L67 HydrophobicContact CE2-CG 4.44Å; F62-L67 HydrophobicContact CZ-CD1 4.4Å
63S76.6Confident78.2Confident62 Ų6278 Ų7843%0.43442%0.419SS..  trans-92.6131.1171.2-173.70000110.5E65S63-E65 VanDerWaalsContact C-N 3.27Å; S63-E65 PolarHBondContact O-N 3.1Å
64L71.5Confident77.9Confident62 Ų6279 Ų7933%0.32543%0.429SS..G310 helixtrans-70.1-26.9-179.9-156.378.7000112L39 K43 F62 N66 L67L39-L64 HydrophobicContact CD2-CD1 3.63Å; L39-L64 HydrophobicContact CG-CD1 4.38Å; K43-L64 HydrophobicContact CD-CD2 4.16Å; F62-L64 HydrophobicContact CE2-CD1 3.91Å; L64-N66 PolarHBondContact O-N 3.4Å; L64-L67 HydrophobicContact CD1-CD1 4.06Å; L64-L67 PolarHBondContact O-N 3.37Å
65E68.8Low77.5Confident173 Ų17380.2 Ų80.281%0.80843%0.431SS*.G310 helixtrans-64.3-22.7-170.6-68.3172.5175.600113.6S63S63-E65 VanDerWaalsContact C-N 3.27Å; S63-E65 PolarHBondContact O-N 3.1Å
66N65.5Low77.1Confident137 Ų13783.2 Ų83.273%0.73345%0.449SS*.G310 helixtrans-111.312.3-175.3-64-27000113.9L64 Q68L64-N66 PolarHBondContact O-N 3.4Å; N66-Q68 PolarHBondContact O-N 3.46Å
67L73.3Confident76.7Confident36 Ų3681.8 Ų81.819%0.18844%0.439CS..  trans-80.5108.2178.8-66.5-177.2000111.1L26 S27 L28 L39 F62 L64L26-L67 HydrophobicContact CB-CD1 4.46Å; L26-L67 HydrophobicContact CD1-CD1 4.12Å; L26-L67 HydrophobicContact CD2-CB 4.35Å; S27-L67 WeakPolarHBondContact O-CD2 3.2Å; L28-L67 HydrophobicContact CD2-CD1 3.53Å; L28-L67 HydrophobicContact CD2-CD2 3.9Å; L28-L67 HydrophobicContact CD2-CG 4.4Å; L39-L67 HydrophobicContact CD2-CD1 3.82Å; F62-L67 HydrophobicContact CD2-CD1 3.98Å; F62-L67 HydrophobicContact CD2-CD2 4.42Å; F62-L67 HydrophobicContact CD2-CG 4.38Å; F62-L67 HydrophobicContact CE2-CD1 3.58Å; F62-L67 HydrophobicContact CE2-CG 4.44Å; F62-L67 HydrophobicContact CZ-CD1 4.4Å; L64-L67 HydrophobicContact CD1-CD1 4.06Å; L64-L67 PolarHBondContact O-N 3.37Å
68Q72.6Confident76.1Confident171 Ų17184.5 Ų84.580%0.79945%0.448SS*.  trans-85.1137169.1-68-176.3-51.700110.8N66 N70N66-Q68 PolarHBondContact O-N 3.46Å; Q68-N70 PolarHBondContact O-N 2.89Å
69A76Confident75.2Confident52 Ų5290.1 Ų90.143%0.4346%0.46SS..BIsolated β-bridgetrans-62.5131169.700000109.8A25 L26 K71A25-A69 WeakPolarHBondContact O-CA 3.48Å; L26-A69 HydrophobicContact CD2-CB 4.31Å; A69-K71 PolarHBondContact O-N 2.84Å
70N74.8Confident74.5Confident45 Ų4589.3 Ų89.324%0.24145%0.445CS..  trans-76.992.5179.3-169.1-35.7000109.3A25 S27 Q68 H72 L73 A74A25-N70 PolarHBondContact O-N 3.2Å; S27-N70 PolarHBondContact OG-ND2 3.13Å; Q68-N70 PolarHBondContact O-N 2.89Å; N70-H72 VanDerWaalsContact C-N 3.26Å; N70-H72 PolarHBondContact O-N 3.45Å; N70-H72 WeakPolarHBondContact OD1-CB 3.4Å; N70-H72 PolarHBondContact OD1-N 2.95Å; N70-L73 HydrophobicContact CB-CB 3.95Å; N70-L73 WeakPolarHBondContact O-CB 3.38Å; N70-L73 PolarHBondContact O-N 3.26Å; N70-L73 VanDerWaalsContact O-N 3.07Å; N70-L73 PolarHBondContact OD1-N 3.11Å; N70-A74 PolarHBondContact O-N 3.5Å; N70-A74 VanDerWaalsContact O-N 3.07Å
71K75.5Confident73.2Confident169 Ų16986.8 Ų86.874%0.73543%0.433SS*.Hα-helixtrans-60.4-34.8-179.6-64.3-176.9-179179.50112.5A69 L73 A74 N75A69-K71 PolarHBondContact O-N 2.84Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-L73 PolarHBondContact O-N 3.26Å; K71-A74 WeakPolarHBondContact O-CB 3.38Å; K71-A74 PolarHBondContact O-N 3.08Å; K71-N75 PolarHBondContact O-N 3.04Å; K71-N75 VanDerWaalsContact O-N 3.12Å
72H75Confident71.9Confident154 Ų15482.8 Ų82.871%0.71342%0.422SS*.Hα-helixtrans-62.2-40174.6-67.1-67.2000111.4N70 N75 V76N70-H72 VanDerWaalsContact C-N 3.26Å; N70-H72 PolarHBondContact O-N 3.45Å; N70-H72 WeakPolarHBondContact OD1-CB 3.4Å; N70-H72 PolarHBondContact OD1-N 2.95Å; H72-N75 PolarHBondContact O-N 3.31Å; H72-V76 WeakPolarHBondContact O-CG2 3.17Å; H72-V76 PolarHBondContact O-N 2.96Å
73L75.2Confident70.8Confident15 Ų1586.4 Ų86.48%0.07945%0.446CS..Hα-helixtrans-68.1-37.1176.2-13998.6000112.2L22 A25 N70 K71 N75 V76 V77L22-L73 HydrophobicContact CB-CD2 4.16Å; L22-L73 HydrophobicContact CD1-CD2 3.36Å; L22-L73 HydrophobicContact CG-CD2 4.39Å; A25-L73 HydrophobicContact CB-CB 4.34Å; A25-L73 HydrophobicContact CB-CD2 3.48Å; A25-L73 VanDerWaalsContact CB-CD2 3.48Å; N70-L73 HydrophobicContact CB-CB 3.95Å; N70-L73 WeakPolarHBondContact O-CB 3.38Å; N70-L73 PolarHBondContact O-N 3.26Å; N70-L73 VanDerWaalsContact O-N 3.07Å; N70-L73 PolarHBondContact OD1-N 3.11Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-L73 PolarHBondContact O-N 3.26Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 3.46Å; L73-V76 PolarHBondContact O-N 2.87Å; L73-V77 HydrophobicContact CD2-CG2 4.49Å; L73-V77 WeakPolarHBondContact O-CB 3.35Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.37Å; L73-V77 PolarHBondContact O-N 3.04Å
74A73.8Confident69.5Low43 Ų4388.9 Ų88.936%0.35545%0.449SS..Hα-helixtrans-58.6-45.3175.200000111.1N70 K71 V76 V77 E78N70-A74 PolarHBondContact O-N 3.5Å; N70-A74 VanDerWaalsContact O-N 3.07Å; K71-A74 WeakPolarHBondContact O-CB 3.38Å; K71-A74 PolarHBondContact O-N 3.08Å; A74-V76 VanDerWaalsContact C-N 3.35Å; A74-V76 PolarHBondContact O-N 3.42Å; A74-V77 PolarHBondContact O-N 3.48Å; A74-E78 VanDerWaalsContact O-CB 3.28Å; A74-E78 WeakPolarHBondContact O-CB 3.41Å; A74-E78 PolarHBondContact O-N 3.05Å
75N72.9Confident68.4Low88 Ų8892.5 Ų92.547%0.47147%0.467SS..Hα-helixtrans-64.8-37.4175.9-69.45.1000112.3K71 H72 L73 R79K71-N75 PolarHBondContact O-N 3.04Å; K71-N75 VanDerWaalsContact O-N 3.12Å; H72-N75 PolarHBondContact O-N 3.31Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 3.46Å; N75-R79 VanDerWaalsContact O-CB 3.31Å; N75-R79 WeakPolarHBondContact O-CB 3.5Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 3.47Å
76V77.3Confident66.7Low65 Ų6590.3 Ų90.339%0.39446%0.455SS..Hα-helixtrans-68.1-42.3175.9173.70000111T13 H72 L73 A74 R79 L80T13-V76 HydrophobicContact CG2-CG1 3.96Å; H72-V76 WeakPolarHBondContact O-CG2 3.17Å; H72-V76 PolarHBondContact O-N 2.96Å; L73-V76 PolarHBondContact O-N 2.87Å; A74-V76 VanDerWaalsContact C-N 3.35Å; A74-V76 PolarHBondContact O-N 3.42Å; V76-R79 PolarHBondContact O-N 3.42Å; V76-L80 WeakPolarHBondContact O-CB 3.3Å; V76-L80 PolarHBondContact O-N 2.84Å
77V75.8Confident65.6Low17 Ų1786.4 Ų86.410%0.10344%0.437CS..Hα-helixtrans-67.2-41.8177.8170.50000111.1T13 L21 L22 L73 A74 L80 G81T13-V77 HydrophobicContact CG2-CG2 4.32Å; L21-V77 HydrophobicContact CB-CG1 3.97Å; L22-V77 HydrophobicContact CB-CG2 4.21Å; L73-V77 HydrophobicContact CD2-CG2 4.49Å; L73-V77 WeakPolarHBondContact O-CB 3.35Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.37Å; L73-V77 PolarHBondContact O-N 3.04Å; A74-V77 PolarHBondContact O-N 3.48Å; V77-L80 CarbonylContact O-C 3.59Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 3.34Å; V77-G81 PolarHBondContact O-N 3.17Å
78E72.8Confident64Low121 Ų12191.6 Ų91.657%0.56547%0.465SS*.Hα-helixtrans-62.5-46.3174.5-176.5175.4-145.500110.4A74 L80 G81 E82A74-E78 VanDerWaalsContact O-CB 3.28Å; A74-E78 WeakPolarHBondContact O-CB 3.41Å; A74-E78 PolarHBondContact O-N 3.05Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.01Å; E78-G81 CarbonylContact O-C 3.55Å; E78-G81 WeakPolarHBondContact O-CA 3.41Å; E78-G81 PolarHBondContact O-N 2.95Å; E78-G81 VanDerWaalsContact O-N 3.11Å; E78-E82 PolarHBondContact O-N 2.77Å
79R69.4Low62.8Low181 Ų18191.3 Ų91.368%0.68347%0.467SS*.Hα-helixtrans-62-36.5172.6-74178.8-177.7-156.51.1112.5N75 V76 G81 E82 V83N75-R79 VanDerWaalsContact O-CB 3.31Å; N75-R79 WeakPolarHBondContact O-CB 3.5Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 3.47Å; V76-R79 PolarHBondContact O-N 3.42Å; R79-G81 VanDerWaalsContact C-N 3.34Å; R79-E82 CarbonylContact O-C 3.57Å; R79-E82 PolarHBondContact O-N 3.41Å; R79-V83 WeakPolarHBondContact O-CB 3.47Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.23Å
80L68.7Low61.4Low27 Ų2791.2 Ų91.214%0.14147%0.472CS..Hα-helixtrans-68.2-37.1174.2-135.495.6000111.5I9 Q10 L21 V76 V77 E78 V83 K84I9-L80 HydrophobicContact CG2-CD1 3.64Å; Q10-L80 HydrophobicContact CG-CD2 4.32Å; L21-L80 HydrophobicContact CD2-CD2 3.76Å; V76-L80 WeakPolarHBondContact O-CB 3.3Å; V76-L80 PolarHBondContact O-N 2.84Å; V77-L80 CarbonylContact O-C 3.59Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 3.34Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.01Å; L80-V83 PolarHBondContact O-N 3.4Å; L80-K84 WeakPolarHBondContact O-CB 3.24Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.28Å
81G59.6Low60.1Low18 Ų1893 Ų9319%0.18648%0.484CS..Hα-helixtrans-64.1-44.2173.300000110.7V77 E78 R79 V83 K84 L85V77-G81 PolarHBondContact O-N 3.17Å; E78-G81 CarbonylContact O-C 3.55Å; E78-G81 WeakPolarHBondContact O-CA 3.41Å; E78-G81 PolarHBondContact O-N 2.95Å; E78-G81 VanDerWaalsContact O-N 3.11Å; R79-G81 VanDerWaalsContact C-N 3.34Å; G81-V83 VanDerWaalsContact C-N 3.35Å; G81-K84 CarbonylContact O-C 3.6Å; G81-K84 PolarHBondContact O-N 3.48Å; G81-L85 VanDerWaalsContact O-CB 3.23Å; G81-L85 WeakPolarHBondContact O-CB 3.44Å; G81-L85 WeakPolarHBondContact O-CG 3.42Å; G81-L85 PolarHBondContact O-N 3.39Å
82E56.5Low58.9Low79 Ų7993.7 Ų93.737%0.36949%0.487SS..Hα-helixtrans-64.7-34.5171-76.5-171.1-149.400112.4E78 R79 K84 L85 K86E78-E82 PolarHBondContact O-N 2.77Å; R79-E82 CarbonylContact O-C 3.57Å; R79-E82 PolarHBondContact O-N 3.41Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-L85 CarbonylContact O-C 3.47Å; E82-L85 PolarHBondContact O-N 3.26Å; E82-K86 WeakPolarHBondContact O-CA 3.44Å; E82-K86 WeakPolarHBondContact O-CB 3.45Å; E82-K86 WeakPolarHBondContact O-CG 3.35Å; E82-K86 PolarHBondContact O-N 3.18Å; E82-K86 IonicContact OE2-NZ 3Å; E82-K86 PolarHBondContact OE2-NZ 3.25Å
83V56.3Low58.1Low100 Ų10095.3 Ų95.361%0.60649%0.487SS*.Hα-helixtrans-72.7-28.7173.3170.90000111.1R79 L80 G81 K86R79-V83 WeakPolarHBondContact O-CB 3.47Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.23Å; L80-V83 PolarHBondContact O-N 3.4Å; G81-V83 VanDerWaalsContact C-N 3.35Å; V83-K86 CarbonylContact O-C 3.49Å; V83-K86 VanDerWaalsContact O-O 3.07Å
84K48.6Very low58.3Low114 Ų11499.1 Ų99.150%0.49651%0.507SS..Hα-helixtrans-77.8-29.8170-75.7-176178.7-175.50113.1L21 L80 G81 E82 P87L21-K84 HydrophobicContact CD1-CD 4.19Å; L80-K84 WeakPolarHBondContact O-CB 3.24Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.28Å; G81-K84 CarbonylContact O-C 3.6Å; G81-K84 PolarHBondContact O-N 3.48Å; E82-K84 VanDerWaalsContact C-N 3.33Å; K84-P87 WeakPolarHBondContact O-CD 3.45Å
85L47.8Very low58.9Low138 Ų13899.5 Ų99.572%0.72350%0.503SS*.Hα-helixtrans-91.5-18.3179.1-71.9171.4000113.1G81 E82 P87G81-L85 VanDerWaalsContact O-CB 3.23Å; G81-L85 WeakPolarHBondContact O-CB 3.44Å; G81-L85 WeakPolarHBondContact O-CG 3.42Å; G81-L85 PolarHBondContact O-N 3.39Å; E82-L85 CarbonylContact O-C 3.47Å; E82-L85 PolarHBondContact O-N 3.26Å; L85-P87 WeakPolarHBondContact O-CD 3.34Å
86K34.4Very low59.7Low127 Ų12795.7 Ų95.755%0.55248%0.484SS*.SBendtrans-101.462.7158.3-59166.6179.9159.60107.4E82 V83 D88E82-K86 WeakPolarHBondContact O-CA 3.44Å; E82-K86 WeakPolarHBondContact O-CB 3.45Å; E82-K86 WeakPolarHBondContact O-CG 3.35Å; E82-K86 PolarHBondContact O-N 3.18Å; E82-K86 IonicContact OE2-NZ 3Å; E82-K86 PolarHBondContact OE2-NZ 3.25Å; V83-K86 CarbonylContact O-C 3.49Å; V83-K86 VanDerWaalsContact O-O 3.07Å; K86-D88 PolarHBondContact O-N 2.86Å
87P41.6Very low60.3Low55 Ų5599.2 Ų99.236%0.35751%0.505SS..  trans-56.5130.4154.129.9-27.3000104.6K84 L85 I89K84-P87 WeakPolarHBondContact O-CD 3.45Å; L85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-I89 WeakPolarHBondContact O-CA 3.33Å; P87-I89 PolarHBondContact O-N 3.38Å
88D39.9Very low60.8Low145 Ų145105.4 Ų105.478%0.77553%0.532SS*.  trans-20.2109.9162.3-153.36.4000110.6K86 G90K86-D88 PolarHBondContact O-N 2.86Å; D88-G90 PolarHBondContact O-N 2.89Å
89I46.5Very low61.6Low164 Ų164103.2 Ų103.284%0.84152%0.522SS*.THydrogen-bonded Turntrans-74.757.3-158-63.8168.6000110.6P87P87-I89 WeakPolarHBondContact O-CA 3.33Å; P87-I89 PolarHBondContact O-N 3.38Å
90G48.2Very low62.4Low51 Ų5196.9 Ų96.953%0.52651%0.513SS..THydrogen-bonded Turntrans169.823.3171.900000120D88D88-G90 PolarHBondContact O-N 2.89Å
91T46.7Very low63.5Low81 Ų8199.3 Ų99.350%0.49752%0.524SS..SBendtrans-147.5-41.3175.4-23.90000117.5L95T91-L95 HydrophobicContact CG2-CD1 4.33Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.42Å
92K49.6Very low64.9Low184 Ų184104.6 Ų104.680%0.854%0.541SS*.SBendtrans-79.9-30-166.3-88.4-176.6179.2177.70117.6
93R57.9Low66.6Low189 Ų189102.5 Ų102.571%0.71353%0.533SS*.THydrogen-bonded Turntrans-77.6-15.8178-69.3-169.4-167.1-154.84.5112.9
94D80Confident68.3Low94 Ų94101.7 Ų101.750%0.50352%0.524SS..THydrogen-bonded Turntrans-95.76.4-179.4-50.3-37.1000111.6K102 L103D94-K102 CarbonylContact O-C 3.39Å; D94-K102 WeakPolarHBondContact O-CA 3.38Å; D94-L103 PolarHBondContact O-N 3.2Å
95L87.6Confident70.5Confident52 Ų5297.3 Ų97.327%0.27251%0.506SS..BIsolated β-bridgetrans-107138.6178-61.8176.8000111.6T91 V97 G100 E101 K102T91-L95 HydrophobicContact CG2-CD1 4.33Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.42Å; L95-V97 PolarHBondContact O-N 3.05Å; L95-G100 WeakPolarHBondContact CD2-O 3.4Å; L95-E101 CarbonylContact C-O 3.5Å; L95-E101 WeakPolarHBondContact CA-O 3.4Å; L95-K102 HydrophobicContact CD2-CG 3.9Å
96C89.9Confident72.7Confident8 Ų892.9 Ų92.95%0.05448%0.481CS..  trans-63.8126.5173.1177.80000110.2H98 H99 G100 E101 L103 C115 C118C96-H98 PolarHBondContact O-N 3.03Å; C96-H98 PolarHBondContact SG-N 3.4Å; C96-H98 VanDerWaalsContact SG-N 3.45Å; C96-H99 HydrophobicContact CB-CB 4.29Å; C96-H99 PolarHBondContact O-N 3.11Å; C96-H99 PolarHBondContact SG-ND1 2.96Å; C96-G100 WeakPolarHBondContact O-CA 3.11Å; C96-G100 PolarHBondContact O-N 3.22Å; C96-E101 WeakPolarHBondContact CB-O 3.37Å; C96-E101 PolarHBondContact N-O 3.25Å; C96-L103 HydrophobicContact CB-CD2 3.7Å; C96-L103 HydrophobicContact CB-CG 4.46Å; C96-C115 HydrophobicContact CB-CB 3.8Å; C96-C115 VanDerWaalsContact CB-SG 3.56Å; C96-C115 VanDerWaalsContact SG-SG 3.68Å; C96-C118 PolarHBondContact SG-SG 3.39Å
97V88Confident75.6Confident139 Ų13986.8 Ų86.884%0.84246%0.455SS*.THydrogen-bonded Turntrans-60.4-31.3179.1-177.30000112.1L95L95-V97 PolarHBondContact O-N 3.05Å
98H87.7Confident78Confident146 Ų14690 Ų9068%0.67646%0.463SS*.THydrogen-bonded Turntrans-87-32.4-177.1-62.6-65.6000113.8C96C96-H98 PolarHBondContact O-N 3.03Å; C96-H98 PolarHBondContact SG-N 3.4Å; C96-H98 VanDerWaalsContact SG-N 3.45Å
99H88.2Confident80.6Confident75 Ų7587 Ų8735%0.34744%0.444SS..THydrogen-bonded Turntrans-119.2-14.5-168.5-54.6116.1000114.2C96 E101 C115 V117 C118C96-H99 HydrophobicContact CB-CB 4.29Å; C96-H99 PolarHBondContact O-N 3.11Å; C96-H99 PolarHBondContact SG-ND1 2.96Å; H99-E101 HydrophobicContact CB-CB 4.32Å; H99-E101 HydrophobicContact CB-CG 4.18Å; H99-E101 PolarHBondContact O-N 2.88Å; H99-C115 PolarHBondContact ND1-SG 3.5Å; H99-V117 HydrophobicContact CB-CB 4.14Å; H99-V117 HydrophobicContact CB-CG2 4.36Å; H99-V117 VanDerWaalsContact CD2-CG1 3.42Å; H99-V117 WeakPolarHBondContact CD2-CG1 3.49Å; H99-C118 PolarHBondContact CE1-SG 3.22Å; H99-C118 PolarHBondContact ND1-SG 3.35Å
100G87Confident82.8Confident48 Ų4881.7 Ų81.750%0.49542%0.418SS..  trans707.4-174.500000114.6L95 C96L95-G100 WeakPolarHBondContact CD2-O 3.4Å; C96-G100 WeakPolarHBondContact O-CA 3.11Å; C96-G100 PolarHBondContact O-N 3.22Å
101E90.9Very high84.9Confident79 Ų7987.2 Ų87.237%0.36943%0.428SS..  trans-92.6154.9-178.7-70.8-64.9149.900112.2L95 C96 H99 C115 W116 V117L95-E101 CarbonylContact C-O 3.5Å; L95-E101 WeakPolarHBondContact CA-O 3.4Å; C96-E101 WeakPolarHBondContact CB-O 3.37Å; C96-E101 PolarHBondContact N-O 3.25Å; H99-E101 HydrophobicContact CB-CB 4.32Å; H99-E101 HydrophobicContact CB-CG 4.18Å; H99-E101 PolarHBondContact O-N 2.88Å; E101-C115 HydrophobicContact CB-CB 3.61Å; E101-W116 PolarHBondContact OE2-NE1 3.32Å; E101-V117 HydrophobicContact CG-CG2 3.99Å
102K90.4Very high87.1Confident128 Ų12888.2 Ų88.256%0.55743%0.425SS*.BIsolated β-bridgetrans-63.5136.8-179.7-66.2-176.9179.8-179.10112.8D94 L95 L104 C115D94-K102 CarbonylContact O-C 3.39Å; D94-K102 WeakPolarHBondContact O-CA 3.38Å; L95-K102 HydrophobicContact CD2-CG 3.9Å; K102-L104 HydrophobicContact CB-CD1 4.04Å; K102-L104 HydrophobicContact CB-CD2 4.33Å; K102-L104 HydrophobicContact CB-CG 3.8Å; K102-L104 HydrophobicContact CD-CD1 4.46Å; K102-L104 PolarHBondContact O-N 3.04Å; K102-L104 VanDerWaalsContact O-N 3.12Å; K102-C115 WeakPolarHBondContact O-CA 3.49Å; K102-C115 WeakPolarHBondContact O-CB 3.43Å
103L91.9Very high89.1Confident36 Ų3681.3 Ų81.319%0.18840%0.402CS..  trans-80.979.9174.5-64178.2000109.6D94 C96 A113 I114 C115D94-L103 PolarHBondContact O-N 3.2Å; C96-L103 HydrophobicContact CB-CD2 3.7Å; C96-L103 HydrophobicContact CB-CG 4.46Å; L103-A113 HydrophobicContact CB-CB 4.21Å; L103-A113 HydrophobicContact CD1-CB 4.45Å; L103-I114 WeakPolarHBondContact CA-O 3.4Å; L103-I114 VanDerWaalsContact CD2-C 3.46Å; L103-C115 HydrophobicContact CD2-CB 4.41Å
104L92.4Very high90.8Very high82 Ų8272.5 Ų72.543%0.42937%0.37SS..  trans-107.61.2-177.4-61.6177.9000113.3K102 I114 W132K102-L104 HydrophobicContact CB-CD1 4.04Å; K102-L104 HydrophobicContact CB-CD2 4.33Å; K102-L104 HydrophobicContact CB-CG 3.8Å; K102-L104 HydrophobicContact CD-CD1 4.46Å; K102-L104 PolarHBondContact O-N 3.04Å; K102-L104 VanDerWaalsContact O-N 3.12Å; L104-I114 PolarHBondContact N-O 2.66Å; L104-W132 VanDerWaalsContact O-CB 3.23Å; L104-W132 WeakPolarHBondContact O-CB 3.3Å; L104-W132 PolarHBondContact O-N 3.23Å
105L94Very high91.5Very high22 Ų2268 Ų6812%0.11535%0.346CS..EExtended strand (participates in β ladder)trans-121.3150.4-179.2-58173.7000110.1A113 I114 W116 E119 F130 L131L105-A113 CarbonylContact O-C 3.53Å; L105-A113 VanDerWaalsContact O-CA 3.31Å; L105-A113 WeakPolarHBondContact O-CA 3.41Å; L105-I114 HydrophobicContact CB-CG1 3.8Å; L105-I114 PolarHBondContact N-O 2.83Å; L105-I114 PolarHBondContact O-N 3Å; L105-W116 HydrophobicContact CD1-CB 4.47Å; L105-E119 HydrophobicContact CD1-CB 3.95Å; L105-E119 HydrophobicContact CD1-CG 4.43Å; L105-F130 CarbonylContact C-O 3.4Å; L105-F130 WeakPolarHBondContact CA-O 3.16Å; L105-L131 HydrophobicContact CD2-CD2 4.05Å
106F94.7Very high91.7Very high45 Ų4571.6 Ų71.620%0.19736%0.355CS..EExtended strand (participates in β ladder)trans-118.5122.7172.8174.6-100.5000109.8K108 K111 K112 T129 F130 A135F106-K108 HydrophobicContact CE1-CB 4.45Å; F106-K111 HydrophobicContact CE2-CB 4.42Å; F106-K111 HydrophobicContact CZ-CB 4.24Å; F106-K112 WeakPolarHBondContact CA-O 3.27Å; F106-T129 VanDerWaalsContact O-CA 3.29Å; F106-T129 WeakPolarHBondContact O-CA 3.46Å; F106-F130 PolarHBondContact N-O 3.47Å; F106-F130 PolarHBondContact O-N 3.14Å; F106-A135 HydrophobicContact CB-CB 3.71Å; F106-A135 HydrophobicContact CD1-CB 3.88Å; F106-A135 HydrophobicContact CG-CB 3.89Å
107C94.7Very high91.9Very high0 Ų073.1 Ų73.10%037%0.365CS..EExtended strand (participates in β ladder)trans-85.9121.8171.4174.60000109.9D110 K111 K112 I114 H127C107-D110 HydrophobicContact CB-CB 4.35Å; C107-D110 PolarHBondContact SG-N 2.98Å; C107-D110 PolarHBondContact SG-OD2 2.71Å; C107-K111 VanDerWaalsContact O-CA 3.24Å; C107-K111 WeakPolarHBondContact O-CA 2.8Å; C107-K111 PolarHBondContact O-N 2.95Å; C107-K112 PolarHBondContact N-O 3.31Å; C107-K112 PolarHBondContact O-N 3.45Å; C107-I114 HydrophobicContact CB-CD1 4.04Å; C107-I114 HydrophobicContact CB-CG2 4.42Å; C107-H127 VanDerWaalsContact SG-CB 3.52Å; C107-H127 PolarHBondContact SG-ND1 2.68Å
108K93.1Very high92.3Very high121 Ų12166.8 Ų66.853%0.52633%0.326SS..THydrogen-bonded Turntrans-69.9-40-176.2-177.4174.7178.9174.90113.2F106 H128 F130F106-K108 HydrophobicContact CE1-CB 4.45Å; K108-H128 HydrophobicContact CB-CB 4.23Å; K108-H128 WeakPolarHBondContact CB-O 3.42Å; K108-H128 PolarHBondContact N-O 3.48Å; K108-F130 HydrophobicContact CB-CD2 4.41Å; K108-F130 HydrophobicContact CB-CE2 3.99Å; K108-F130 HydrophobicContact CD-CE2 3.86Å; K108-F130 HydrophobicContact CD-CZ 4.42Å; K108-F130 HydrophobicContact CG-CE2 4.49Å
109E94.5Very high92.6Very high82 Ų8262.9 Ų62.938%0.38331%0.308SS..THydrogen-bonded Turntrans-67.2-48.8-179.5-70.976.3-17600110.8H127 H128E109-H127 HydrophobicContact CB-CB 4.43Å; E109-H127 HydrophobicContact CG-CB 4.38Å; E109-H127 WeakPolarHBondContact OE2-CA 3.23Å; E109-H127 VanDerWaalsContact OE2-CB 3.3Å; E109-H127 WeakPolarHBondContact OE2-CB 3.28Å; E109-H127 IonicContact OE2-CG 3.75Å; E109-H128 VanDerWaalsContact CD-N 3.33Å; E109-H128 IonicContact OE1-CE1 3.76Å; E109-H128 IonicContact OE1-CG 3.61Å; E109-H128 PolarHBondContact OE1-N 3.16Å; E109-H128 IonicContact OE1-ND1 2.73Å; E109-H128 PolarHBondContact OE1-ND1 3.06Å; E109-H128 PolarHBondContact OE2-N 3.38Å
110D92.6Very high92.8Very high54 Ų5468.5 Ų68.529%0.28933%0.326SS..THydrogen-bonded Turntrans-84.6-14.9-177.8-62.2-53000113.6C107 K112 H124 H127C107-D110 HydrophobicContact CB-CB 4.35Å; C107-D110 PolarHBondContact SG-N 2.98Å; C107-D110 PolarHBondContact SG-OD2 2.71Å; D110-K112 VanDerWaalsContact C-N 3.29Å; D110-K112 HydrophobicContact CB-CB 4.42Å; D110-K112 HydrophobicContact CB-CD 4.1Å; D110-K112 HydrophobicContact CB-CG 4.23Å; D110-K112 WeakPolarHBondContact O-CG 3.2Å; D110-K112 PolarHBondContact O-N 2.94Å; D110-H124 IonicContact OD2-CE1 3.99Å; D110-H124 PolarHBondContact OD2-CE1 2.85Å; D110-H124 IonicContact OD2-CG 3.86Å; D110-H124 IonicContact OD2-ND1 3.52Å; D110-H124 PolarHBondContact OD2-ND1 3.18Å; D110-H127 IonicContact OD1-CE1 3.14Å; D110-H127 IonicContact OD2-CE1 2.81Å; D110-H127 PolarHBondContact OD2-CE1 3.32Å; D110-H127 IonicContact OD2-ND1 3.85Å; D110-H127 PolarHBondContact OD2-ND1 3.34Å
111K92.3Very high93.1Very high167 Ų16767.7 Ų67.773%0.72631%0.313SS*.THydrogen-bonded Turntrans54.742.4-174.6-56.5177.7-177.91750112.8F106 C107F106-K111 HydrophobicContact CE2-CB 4.42Å; F106-K111 HydrophobicContact CZ-CB 4.24Å; C107-K111 VanDerWaalsContact O-CA 3.24Å; C107-K111 WeakPolarHBondContact O-CA 2.8Å; C107-K111 PolarHBondContact O-N 2.95Å
112K91.8Very high93.2Very high101 Ų10172.6 Ų72.644%0.43934%0.336SS..EExtended strand (participates in β ladder)trans-123.6145.8-176.9-69.5173.6-169.9169.70111.1F106 C107 D110 I114 E123F106-K112 WeakPolarHBondContact CA-O 3.27Å; C107-K112 PolarHBondContact N-O 3.31Å; C107-K112 PolarHBondContact O-N 3.45Å; D110-K112 VanDerWaalsContact C-N 3.29Å; D110-K112 HydrophobicContact CB-CB 4.42Å; D110-K112 HydrophobicContact CB-CD 4.1Å; D110-K112 HydrophobicContact CB-CG 4.23Å; D110-K112 WeakPolarHBondContact O-CG 3.2Å; D110-K112 PolarHBondContact O-N 2.94Å; K112-I114 HydrophobicContact CB-CG2 4.13Å; K112-E123 IonicContact NZ-OE1 3.72Å
113A92.2Very high93.2Very high40 Ų4071.5 Ų71.533%0.33133%0.333SS..EExtended strand (participates in β ladder)trans-75.3130.8162.100000108.8L103 L105 W132L103-A113 HydrophobicContact CB-CB 4.21Å; L103-A113 HydrophobicContact CD1-CB 4.45Å; L105-A113 CarbonylContact O-C 3.53Å; L105-A113 VanDerWaalsContact O-CA 3.31Å; L105-A113 WeakPolarHBondContact O-CA 3.41Å; A113-W132 HydrophobicContact CB-CE3 4.16Å; A113-W132 HydrophobicContact CB-CZ3 4.04Å
114I93.9Very high93.3Very high4 Ų470 Ų702%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-134.6160.7-175.270.6169.6000110.2L103 L104 L105 C107 K112 C118 E119 H124 T129L103-I114 WeakPolarHBondContact CA-O 3.4Å; L103-I114 VanDerWaalsContact CD2-C 3.46Å; L104-I114 PolarHBondContact N-O 2.66Å; L105-I114 HydrophobicContact CB-CG1 3.8Å; L105-I114 PolarHBondContact N-O 2.83Å; L105-I114 PolarHBondContact O-N 3Å; C107-I114 HydrophobicContact CB-CD1 4.04Å; C107-I114 HydrophobicContact CB-CG2 4.42Å; K112-I114 HydrophobicContact CB-CG2 4.13Å; I114-C118 HydrophobicContact CB-CB 3.7Å; I114-C118 HydrophobicContact CD1-CB 4.25Å; I114-C118 HydrophobicContact CG1-CB 4.36Å; I114-C118 HydrophobicContact CG2-CB 4.37Å; I114-E119 HydrophobicContact CD1-CB 4.12Å; I114-H124 HydrophobicContact CD1-CB 4.32Å; I114-T129 HydrophobicContact CD1-CG2 3.9Å
115C93.8Very high93.3Very high0 Ų076 Ų760%034%0.342CS..  trans-95.4171.7171.870.30000111.5C96 H99 E101 K102 L103 V117 C118 E119C96-C115 HydrophobicContact CB-CB 3.8Å; C96-C115 VanDerWaalsContact CB-SG 3.56Å; C96-C115 VanDerWaalsContact SG-SG 3.68Å; H99-C115 PolarHBondContact ND1-SG 3.5Å; E101-C115 HydrophobicContact CB-CB 3.61Å; K102-C115 WeakPolarHBondContact O-CA 3.49Å; K102-C115 WeakPolarHBondContact O-CB 3.43Å; L103-C115 HydrophobicContact CD2-CB 4.41Å; C115-V117 PolarHBondContact O-N 2.99Å; C115-C118 WeakPolarHBondContact O-CB 3.45Å; C115-C118 PolarHBondContact O-N 3.45Å; C115-C118 VanDerWaalsContact O-N 3.09Å; C115-C118 PolarHBondContact SG-N 3.47Å; C115-E119 PolarHBondContact O-N 2.82Å; C115-E119 VanDerWaalsContact O-N 3.15Å
116W92.7Very high93.3Very high126 Ų12678.5 Ų78.548%0.47737%0.373SS..Hα-helixtrans-61-25.2179.273.2-92.5000113.9E101 L105E101-W116 PolarHBondContact OE2-NE1 3.32Å; L105-W116 HydrophobicContact CD1-CB 4.47Å
117V94.1Very high93.4Very high41 Ų4179.2 Ų79.225%0.24838%0.377CS..Hα-helixtrans-76.7-40.5175.2-172.50000110.9H99 E101 C115 E119 R120 S121H99-V117 HydrophobicContact CB-CB 4.14Å; H99-V117 HydrophobicContact CB-CG2 4.36Å; H99-V117 VanDerWaalsContact CD2-CG1 3.42Å; H99-V117 WeakPolarHBondContact CD2-CG1 3.49Å; E101-V117 HydrophobicContact CG-CG2 3.99Å; C115-V117 PolarHBondContact O-N 2.99Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.26Å; V117-R120 PolarHBondContact O-N 3.46Å; V117-S121 PolarHBondContact O-N 2.89Å; V117-S121 VanDerWaalsContact O-N 3.12Å
118C94.6Very high93.4Very high6 Ų684.7 Ų84.74%0.04140%0.403CS..Hα-helixtrans-58.7-43.1173.9-78.60000111.6C96 H99 I114 C115 R120 S121 H124C96-C118 PolarHBondContact SG-SG 3.39Å; H99-C118 PolarHBondContact CE1-SG 3.22Å; H99-C118 PolarHBondContact ND1-SG 3.35Å; I114-C118 HydrophobicContact CB-CB 3.7Å; I114-C118 HydrophobicContact CD1-CB 4.25Å; I114-C118 HydrophobicContact CG1-CB 4.36Å; I114-C118 HydrophobicContact CG2-CB 4.37Å; C115-C118 WeakPolarHBondContact O-CB 3.45Å; C115-C118 PolarHBondContact O-N 3.45Å; C115-C118 VanDerWaalsContact O-N 3.09Å; C115-C118 PolarHBondContact SG-N 3.47Å; C118-R120 PolarHBondContact O-N 2.98Å; C118-S121 VanDerWaalsContact O-CB 3.23Å; C118-S121 WeakPolarHBondContact O-CB 3.35Å; C118-S121 PolarHBondContact O-N 3.02Å; C118-S121 PolarHBondContact O-OG 3.22Å; C118-H124 PolarHBondContact O-CD2 3.28Å
119E94.3Very high93.4Very high64 Ų6480.9 Ų80.930%0.29939%0.39SS..Hα-helixtrans-55.4-36.2178.3175.2-178.6-11400112.7L105 I114 C115 V117 T129L105-E119 HydrophobicContact CD1-CB 3.95Å; L105-E119 HydrophobicContact CD1-CG 4.43Å; I114-E119 HydrophobicContact CD1-CB 4.12Å; C115-E119 PolarHBondContact O-N 2.82Å; C115-E119 VanDerWaalsContact O-N 3.15Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.26Å; E119-T129 HydrophobicContact CB-CG2 4.49Å; E119-T129 HydrophobicContact CG-CG2 4.02Å; E119-T129 VanDerWaalsContact OE1-CB 3.3Å; E119-T129 WeakPolarHBondContact OE1-CB 3.43Å; E119-T129 PolarHBondContact OE1-OG1 3.04Å
120R93.6Very high93.4Very high192 Ų19280.4 Ų80.473%0.72539%0.386SS*.Hα-helixtrans-88.9-6.7178.5-61.9-179.5-178.6-176.40.8113.8V117 C118V117-R120 PolarHBondContact O-N 3.46Å; C118-R120 PolarHBondContact O-N 2.98Å
121S93.2Very high93.4Very high31 Ų3181.8 Ų81.822%0.21739%0.393CS..SBendtrans-69.6161.7177.678.40000110.8V117 C118 E123 H124 R125V117-S121 PolarHBondContact O-N 2.89Å; V117-S121 VanDerWaalsContact O-N 3.12Å; C118-S121 VanDerWaalsContact O-CB 3.23Å; C118-S121 WeakPolarHBondContact O-CB 3.35Å; C118-S121 PolarHBondContact O-N 3.02Å; C118-S121 PolarHBondContact O-OG 3.22Å; S121-E123 PolarHBondContact O-N 3.32Å; S121-E123 PolarHBondContact OG-N 3.33Å; S121-H124 PolarHBondContact O-N 2.92Å; S121-R125 PolarHBondContact O-N 2.84Å
122Q91.4Very high93.3Very high183 Ų18379 Ų7986%0.85538%0.378SS*.SBendtrans-60.9-27.2173.6-173.2174.6-8.100112.3H124Q122-H124 PolarHBondContact O-N 3.06Å
123E92Very high93.2Very high104 Ų10479.1 Ų79.149%0.48638%0.38SS..THydrogen-bonded Turntrans-64.3-39.7-177.2-173.3177.7174.400112.6K112 S121K112-E123 IonicContact NZ-OE1 3.72Å; S121-E123 PolarHBondContact O-N 3.32Å; S121-E123 PolarHBondContact OG-N 3.33Å
124H93.6Very high93.2Very high6 Ų681.8 Ų81.83%0.02839%0.386CS..THydrogen-bonded Turntrans-110.312.8-176.8-58.2-67.1000113.2D110 I114 C118 S121 Q122 G126 H127D110-H124 IonicContact OD2-CE1 3.99Å; D110-H124 PolarHBondContact OD2-CE1 2.85Å; D110-H124 IonicContact OD2-CG 3.86Å; D110-H124 IonicContact OD2-ND1 3.52Å; D110-H124 PolarHBondContact OD2-ND1 3.18Å; I114-H124 HydrophobicContact CD1-CB 4.32Å; C118-H124 PolarHBondContact O-CD2 3.28Å; S121-H124 PolarHBondContact O-N 2.92Å; Q122-H124 PolarHBondContact O-N 3.06Å; H124-G126 PolarHBondContact O-N 3.44Å; H124-G126 VanDerWaalsContact O-N 3.07Å; H124-H127 AromaticContact ND1-ND1 3.89Å; H124-H127 WeakPolarHBondContact O-CB 3.25Å; H124-H127 PolarHBondContact O-N 3.37Å
125R92.8Very high93.1Very high207 Ų20781.9 Ų81.978%0.78139%0.387SS*.THydrogen-bonded Turntrans-63.6114-174.7-172.2178-176.6-169.90.8110.8S121S121-R125 PolarHBondContact O-N 2.84Å
126G92.7Very high93Very high75 Ų7583.9 Ų83.977%0.77340%0.4SS*.THydrogen-bonded Turntrans87.13.9179.900000114.6H124H124-G126 PolarHBondContact O-N 3.44Å; H124-G126 VanDerWaalsContact O-N 3.07Å
127H96.6Very high93.1Very high60 Ų6084.4 Ų84.428%0.27840%0.401SS..  trans-76154.1171.1-69.1-175.1000111.1C107 E109 D110 H124 T129C107-H127 VanDerWaalsContact SG-CB 3.52Å; C107-H127 PolarHBondContact SG-ND1 2.68Å; E109-H127 HydrophobicContact CB-CB 4.43Å; E109-H127 HydrophobicContact CG-CB 4.38Å; E109-H127 WeakPolarHBondContact OE2-CA 3.23Å; E109-H127 VanDerWaalsContact OE2-CB 3.3Å; E109-H127 WeakPolarHBondContact OE2-CB 3.28Å; E109-H127 IonicContact OE2-CG 3.75Å; D110-H127 IonicContact OD1-CE1 3.14Å; D110-H127 IonicContact OD2-CE1 2.81Å; D110-H127 PolarHBondContact OD2-CE1 3.32Å; D110-H127 IonicContact OD2-ND1 3.85Å; D110-H127 PolarHBondContact OD2-ND1 3.34Å; H124-H127 AromaticContact ND1-ND1 3.89Å; H124-H127 WeakPolarHBondContact O-CB 3.25Å; H124-H127 PolarHBondContact O-N 3.37Å; H127-T129 PolarHBondContact O-N 3.07Å
128H94.8Very high93Very high115 Ų11587.5 Ų87.553%0.53241%0.413SS..  trans-80.7118.6174.6-63.383.2000109.9K108 E109 F130K108-H128 HydrophobicContact CB-CB 4.23Å; K108-H128 WeakPolarHBondContact CB-O 3.42Å; K108-H128 PolarHBondContact N-O 3.48Å; E109-H128 VanDerWaalsContact CD-N 3.33Å; E109-H128 IonicContact OE1-CE1 3.76Å; E109-H128 IonicContact OE1-CG 3.61Å; E109-H128 PolarHBondContact OE1-N 3.16Å; E109-H128 IonicContact OE1-ND1 2.73Å; E109-H128 PolarHBondContact OE1-ND1 3.06Å; E109-H128 PolarHBondContact OE2-N 3.38Å; H128-F130 HydrophobicContact CB-CE2 3.9Å; H128-F130 HydrophobicContact CB-CZ 4.35Å
129T94.9Very high92.9Very high41 Ų4190.7 Ų90.725%0.25244%0.435SS..EExtended strand (participates in β ladder)trans-109.5140.5177.451.10000110.9F106 I114 E119 H127F106-T129 VanDerWaalsContact O-CA 3.29Å; F106-T129 WeakPolarHBondContact O-CA 3.46Å; I114-T129 HydrophobicContact CD1-CG2 3.9Å; E119-T129 HydrophobicContact CB-CG2 4.49Å; E119-T129 HydrophobicContact CG-CG2 4.02Å; E119-T129 VanDerWaalsContact OE1-CB 3.3Å; E119-T129 WeakPolarHBondContact OE1-CB 3.43Å; E119-T129 PolarHBondContact OE1-OG1 3.04Å; H127-T129 PolarHBondContact O-N 3.07Å
130F93.6Very high93Very high71 Ų7193.4 Ų93.431%0.31145%0.448SS..EExtended strand (participates in β ladder)trans-126.4154.1177.3-61.3-89.1000109.2L105 F106 K108 H128 W132 A135L105-F130 CarbonylContact C-O 3.4Å; L105-F130 WeakPolarHBondContact CA-O 3.16Å; F106-F130 PolarHBondContact N-O 3.47Å; F106-F130 PolarHBondContact O-N 3.14Å; K108-F130 HydrophobicContact CB-CD2 4.41Å; K108-F130 HydrophobicContact CB-CE2 3.99Å; K108-F130 HydrophobicContact CD-CE2 3.86Å; K108-F130 HydrophobicContact CD-CZ 4.42Å; K108-F130 HydrophobicContact CG-CE2 4.49Å; H128-F130 HydrophobicContact CB-CE2 3.9Å; H128-F130 HydrophobicContact CB-CZ 4.35Å; F130-W132 PolarHBondContact O-N 3.12Å; F130-A135 HydrophobicContact CB-CB 4.41Å
131L92.9Very high93.2Very high83 Ų8388.9 Ų88.944%0.43543%0.434SS..EExtended strand (participates in β ladder)trans-59.9137.7169.6-67.8176.5000108.9L105 E133 E134 A135L105-L131 HydrophobicContact CD2-CD2 4.05Å; L131-E133 PolarHBondContact O-N 2.92Å; L131-E134 HydrophobicContact CB-CB 4.26Å; L131-E134 HydrophobicContact CB-CG 3.95Å; L131-E134 WeakPolarHBondContact O-CB 3.47Å; L131-E134 PolarHBondContact O-N 3.38Å; L131-A135 PolarHBondContact O-N 3.43Å
132W89.1Confident93.3Very high110 Ų11091 Ų9142%0.41744%0.443SS..Hα-helixtrans-53.7-44.4-179.5167.9-105.6000111.4L104 A113 F130 E134 A135 V136L104-W132 VanDerWaalsContact O-CB 3.23Å; L104-W132 WeakPolarHBondContact O-CB 3.3Å; L104-W132 PolarHBondContact O-N 3.23Å; A113-W132 HydrophobicContact CB-CE3 4.16Å; A113-W132 HydrophobicContact CB-CZ3 4.04Å; F130-W132 PolarHBondContact O-N 3.12Å; W132-E134 VanDerWaalsContact C-N 3.29Å; W132-E134 PolarHBondContact O-N 2.99Å; W132-A135 PolarHBondContact O-N 2.86Å; W132-V136 HydrophobicContact CD2-CG2 3.8Å; W132-V136 VanDerWaalsContact CE2-CG2 3.42Å; W132-V136 HydrophobicContact CE3-CG2 4.2Å; W132-V136 HydrophobicContact CG-CG2 4.39Å; W132-V136 HydrophobicContact CH2-CG2 3.93Å; W132-V136 HydrophobicContact CZ2-CG2 3.5Å; W132-V136 HydrophobicContact CZ3-CG2 4.25Å; W132-V136 WeakPolarHBondContact O-CB 3.35Å; W132-V136 VanDerWaalsContact O-CG2 3.24Å; W132-V136 WeakPolarHBondContact O-CG2 3.44Å; W132-V136 PolarHBondContact O-N 2.9Å
133E89.5Confident93.6Very high102 Ų10287.7 Ų87.748%0.47743%0.431SS..Hα-helixtrans-64.2-34178.9-59.687.2-178.800112.6L131 R137L131-E133 PolarHBondContact O-N 2.92Å; E133-R137 VanDerWaalsContact O-CB 3.31Å; E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 PolarHBondContact O-N 3.14Å
134E93.1Very high93.9Very high96 Ų9687.8 Ų87.845%0.44943%0.432SS..Hα-helixtrans-70.4-47.1176.6-66.4175.9162.700111.3L131 W132 V136 R137 E138L131-E134 HydrophobicContact CB-CB 4.26Å; L131-E134 HydrophobicContact CB-CG 3.95Å; L131-E134 WeakPolarHBondContact O-CB 3.47Å; L131-E134 PolarHBondContact O-N 3.38Å; W132-E134 VanDerWaalsContact C-N 3.29Å; W132-E134 PolarHBondContact O-N 2.99Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 3.17Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 2.87Å; E134-E138 PolarHBondContact O-N 3.14Å
135A91.5Very high94.2Very high7 Ų793.6 Ų93.66%0.05846%0.457CS..Hα-helixtrans-61.3-41.3176.800000111.6F106 F130 L131 W132 E138 C139F106-A135 HydrophobicContact CB-CB 3.71Å; F106-A135 HydrophobicContact CD1-CB 3.88Å; F106-A135 HydrophobicContact CG-CB 3.89Å; F130-A135 HydrophobicContact CB-CB 4.41Å; L131-A135 PolarHBondContact O-N 3.43Å; W132-A135 PolarHBondContact O-N 2.86Å; A135-E138 PolarHBondContact O-N 3.26Å; A135-C139 WeakPolarHBondContact O-CB 3.44Å; A135-C139 PolarHBondContact O-N 3.44Å; A135-C139 PolarHBondContact O-SG 3.17Å
136V91.7Very high94.4Very high42 Ų4285.4 Ų85.426%0.25543%0.433SS..Hα-helixtrans-62.3-45.6174.4169.80000111W132 E134 C139 Q140W132-V136 HydrophobicContact CD2-CG2 3.8Å; W132-V136 VanDerWaalsContact CE2-CG2 3.42Å; W132-V136 HydrophobicContact CE3-CG2 4.2Å; W132-V136 HydrophobicContact CG-CG2 4.39Å; W132-V136 HydrophobicContact CH2-CG2 3.93Å; W132-V136 HydrophobicContact CZ2-CG2 3.5Å; W132-V136 HydrophobicContact CZ3-CG2 4.25Å; W132-V136 WeakPolarHBondContact O-CB 3.35Å; W132-V136 VanDerWaalsContact O-CG2 3.24Å; W132-V136 WeakPolarHBondContact O-CG2 3.44Å; W132-V136 PolarHBondContact O-N 2.9Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 3.17Å; V136-C139 PolarHBondContact O-N 3.46Å; V136-Q140 HydrophobicContact CG1-CG 4.32Å; V136-Q140 WeakPolarHBondContact O-CB 3.39Å; V136-Q140 VanDerWaalsContact O-CG 3.28Å; V136-Q140 WeakPolarHBondContact O-CG 3.15Å; V136-Q140 PolarHBondContact O-N 3.03Å
137R94.5Very high94.7Very high136 Ų13685.8 Ų85.851%0.51342%0.417SS..Hα-helixtrans-60.7-47.3178.3-164.2-167.6-30.4-84.8-6.1111.3E133 E134 C139 Q140 E141E133-R137 VanDerWaalsContact O-CB 3.31Å; E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 PolarHBondContact O-N 3.14Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 2.87Å; R137-C139 PolarHBondContact O-N 2.94Å; R137-Q140 PolarHBondContact O-N 3.45Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.06Å
138E92.8Very high94.8Very high106 Ų10685.7 Ų85.750%0.49542%0.421SS..Hα-helixtrans-60.9-45176.9-171.2-171163.300111.5E134 A135 Q140 E141 N142E134-E138 PolarHBondContact O-N 3.14Å; A135-E138 PolarHBondContact O-N 3.26Å; E138-Q140 PolarHBondContact O-N 3.25Å; E138-E141 PolarHBondContact O-N 3.05Å; E138-N142 WeakPolarHBondContact O-CB 3.37Å; E138-N142 VanDerWaalsContact O-CG 3.28Å; E138-N142 PolarHBondContact O-N 3.05Å; E138-N142 PolarHBondContact O-ND2 3.28Å
139C91.7Very high95Very high73 Ų7387.7 Ų87.749%0.49342%0.424SS..Hα-helixtrans-59.9-44.6174.7-810000112.2A135 V136 R137 N142 L143A135-C139 WeakPolarHBondContact O-CB 3.44Å; A135-C139 PolarHBondContact O-N 3.44Å; A135-C139 PolarHBondContact O-SG 3.17Å; V136-C139 PolarHBondContact O-N 3.46Å; R137-C139 PolarHBondContact O-N 2.94Å; C139-N142 PolarHBondContact O-N 2.99Å; C139-L143 WeakPolarHBondContact O-CB 3.4Å; C139-L143 VanDerWaalsContact O-CG 3.27Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.32Å
140Q96.8Very high95.1Very high122 Ų12290.2 Ų90.257%0.5744%0.436SS*.Hα-helixtrans-63-43.2177.7-75.6176.1-1900111.9V136 R137 E138 L143 Q144V136-Q140 HydrophobicContact CG1-CG 4.32Å; V136-Q140 WeakPolarHBondContact O-CB 3.39Å; V136-Q140 VanDerWaalsContact O-CG 3.28Å; V136-Q140 WeakPolarHBondContact O-CG 3.15Å; V136-Q140 PolarHBondContact O-N 3.03Å; R137-Q140 PolarHBondContact O-N 3.45Å; E138-Q140 PolarHBondContact O-N 3.25Å; Q140-L143 PolarHBondContact O-N 3.47Å; Q140-Q144 WeakPolarHBondContact O-CB 3.28Å; Q140-Q144 PolarHBondContact O-N 3.37Å
141E97.3Very high95.4Very high96 Ų9693.7 Ų93.745%0.44945%0.446SS..Hα-helixtrans-62.7-43.7175-73.9179-165.300112.1R137 E138 Q144 K145R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.06Å; E138-E141 PolarHBondContact O-N 3.05Å; E141-Q144 PolarHBondContact O-N 3.04Å; E141-K145 WeakPolarHBondContact O-CB 3.44Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.31Å
142N96.8Very high95.6Very high76 Ų7695.7 Ų95.741%0.40645%0.452SS..Hα-helixtrans-65.2-40.3177.8-74.6-25.4000111.9E138 C139 K145 A146E138-N142 WeakPolarHBondContact O-CB 3.37Å; E138-N142 VanDerWaalsContact O-CG 3.28Å; E138-N142 PolarHBondContact O-N 3.05Å; E138-N142 PolarHBondContact O-ND2 3.28Å; C139-N142 PolarHBondContact O-N 2.99Å; N142-K145 PolarHBondContact O-N 3.23Å; N142-A146 WeakPolarHBondContact O-CB 3.35Å; N142-A146 PolarHBondContact O-N 3.07Å
143L97.9Very high96.1Very high113 Ų11394.3 Ų94.359%0.59245%0.45SS*.Hα-helixtrans-61.4-44.3172.2-74.8170.7000111.2C139 Q140 A146 L147C139-L143 WeakPolarHBondContact O-CB 3.4Å; C139-L143 VanDerWaalsContact O-CG 3.27Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.32Å; Q140-L143 PolarHBondContact O-N 3.47Å; L143-A146 PolarHBondContact O-N 3.45Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.35Å
144Q98.2Very high96.5Very high107 Ų10795 Ų9550%0.545%0.453SS..Hα-helixtrans-65.2-41.2178.9-173.161.717.800112.4Q140 E141 T148Q140-Q144 WeakPolarHBondContact O-CB 3.28Å; Q140-Q144 PolarHBondContact O-N 3.37Å; E141-Q144 PolarHBondContact O-N 3.04Å; Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 3.01Å; Q144-T148 PolarHBondContact O-OG1 3Å
145K98.2Very high96.7Very high127 Ų12796.1 Ų96.155%0.55246%0.458SS*.Hα-helixtrans-60.8-46.1173-72.4168.7-170.9164.60111E141 N142 T148 R149E141-K145 WeakPolarHBondContact O-CB 3.44Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.31Å; N142-K145 PolarHBondContact O-N 3.23Å; K145-T148 PolarHBondContact O-N 3.35Å; K145-R149 PolarHBondContact O-N 2.99Å
146A98.2Very high97.1Very high36 Ų36100.7 Ų100.730%0.29848%0.477SS..Hα-helixtrans-63.5-46178.500000112.1N142 L143 T148 R149 L150N142-A146 WeakPolarHBondContact O-CB 3.35Å; N142-A146 PolarHBondContact O-N 3.07Å; L143-A146 PolarHBondContact O-N 3.45Å; A146-T148 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.43Å; A146-R149 PolarHBondContact O-N 3.28Å; A146-L150 WeakPolarHBondContact O-CB 3.44Å; A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 3.26Å
147L98.6Very high97.4Very high82 Ų82102.3 Ų102.343%0.42949%0.487SS..Hα-helixtrans-59.3-44.5175.9-76.8171.3000111.8L143 L150 R151L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.35Å; L147-L150 PolarHBondContact O-N 3.49Å; L147-R151 WeakPolarHBondContact O-CB 3.32Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.45Å; L147-R151 PolarHBondContact O-N 2.86Å
148T98.5Very high97.5Very high59 Ų59101.2 Ų101.236%0.36249%0.487SS..Hα-helixtrans-63.2-43.2178.1-55.90000111.3Q144 K145 A146 K152Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 3.01Å; Q144-T148 PolarHBondContact O-OG1 3Å; K145-T148 PolarHBondContact O-N 3.35Å; A146-T148 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.43Å; T148-K152 PolarHBondContact O-N 3.39Å
149R98.5Very high97.8Very high156 Ų156100 Ų10059%0.58949%0.487SS*.Hα-helixtrans-62.2-49.4175.9-168.9-170.684.8-138.54.6111.3K145 A146 R151 K152 E153K145-R149 PolarHBondContact O-N 2.99Å; A146-R149 PolarHBondContact O-N 3.28Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.38Å; R149-K152 WeakPolarHBondContact O-CB 3.42Å; R149-K152 PolarHBondContact O-N 2.92Å; R149-E153 PolarHBondContact O-N 2.7Å
150L98.6Very high98.1Very high95 Ų95101.2 Ų101.250%0.49749%0.489SS..Hα-helixtrans-65.7-34.9-176.6-70.6173.5000112.5A146 L147 E153 Q154A146-L150 WeakPolarHBondContact O-CB 3.44Å; A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 3.26Å; L147-L150 PolarHBondContact O-N 3.49Å; L150-E153 PolarHBondContact O-N 3.37Å; L150-Q154 PolarHBondContact O-N 2.88Å
151R98.5Very high98.2Very high143 Ų143100.1 Ų100.154%0.5448%0.483SS..Hα-helixtrans-61.8-42.7171.9-75.5174.9179.7167.50.3112.3L147 R149 E153 Q154 E155L147-R151 WeakPolarHBondContact O-CB 3.32Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.45Å; L147-R151 PolarHBondContact O-N 2.86Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.38Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3Å; R151-Q154 WeakPolarHBondContact O-CB 3.48Å; R151-Q154 PolarHBondContact O-N 3.38Å; R151-E155 WeakPolarHBondContact O-CG 3.43Å; R151-E155 PolarHBondContact O-N 2.98Å
152K98.4Very high98.2Very high125 Ų12598 Ų9854%0.54348%0.482SS..Hα-helixtrans-64.2-37.5174.2-69.8-179.1178.2-173.70112.7T148 R149 Q154 E155 K156T148-K152 PolarHBondContact O-N 3.39Å; R149-K152 WeakPolarHBondContact O-CB 3.42Å; R149-K152 PolarHBondContact O-N 2.92Å; K152-Q154 VanDerWaalsContact C-N 3.34Å; K152-E155 PolarHBondContact O-N 2.94Å; K152-K156 WeakPolarHBondContact O-CG 3.25Å; K152-K156 PolarHBondContact O-N 3.38Å
153E98.4Very high98.3Very high82 Ų8298.2 Ų98.238%0.38348%0.483SS..Hα-helixtrans-67.2-36.4174.1-64.9-53.4136.100111.8R149 L150 R151 K156 V157R149-E153 PolarHBondContact O-N 2.7Å; L150-E153 PolarHBondContact O-N 3.37Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.31Å; E153-K156 IonicContact OE1-NZ 3.94Å; E153-K156 PolarHBondContact OE1-NZ 3.01Å; E153-K156 IonicContact OE2-NZ 2.67Å; E153-K156 PolarHBondContact OE2-NZ 3.24Å; E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.15Å
154Q98.4Very high98.3Very high116 Ų11698.2 Ų98.254%0.54248%0.483SS..Hα-helixtrans-62.3-44.7173.8-175.9177.16.200111.9L150 R151 K152 K156 V157 E158L150-Q154 PolarHBondContact O-N 2.88Å; R151-Q154 WeakPolarHBondContact O-CB 3.48Å; R151-Q154 PolarHBondContact O-N 3.38Å; K152-Q154 VanDerWaalsContact C-N 3.34Å; Q154-K156 VanDerWaalsContact C-N 3.3Å; Q154-K156 PolarHBondContact O-N 3.24Å; Q154-V157 WeakPolarHBondContact O-CB 3.49Å; Q154-V157 PolarHBondContact O-N 3.32Å; Q154-V157 VanDerWaalsContact O-N 3.11Å; Q154-E158 PolarHBondContact O-N 2.78Å; Q154-E158 VanDerWaalsContact O-N 3.09Å
155E98.1Very high98.3Very high119 Ų11998.1 Ų98.156%0.55648%0.481SS*.Hα-helixtrans-57.9-41.5174.5-71.1167.6-17300111.7R151 K152 V157 E158 T159R151-E155 WeakPolarHBondContact O-CG 3.43Å; R151-E155 PolarHBondContact O-N 2.98Å; K152-E155 PolarHBondContact O-N 2.94Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.01Å; E155-E158 PolarHBondContact O-N 3.24Å; E155-T159 PolarHBondContact O-N 3.4Å
156K98.3Very high98.3Very high103 Ų10398.4 Ų98.445%0.44848%0.484SS..Hα-helixtrans-64-35.9175.5-68.8172.9-173.2171.90113.1K152 E153 Q154 E158 T159 L160K152-K156 WeakPolarHBondContact O-CG 3.25Å; K152-K156 PolarHBondContact O-N 3.38Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.31Å; E153-K156 IonicContact OE1-NZ 3.94Å; E153-K156 PolarHBondContact OE1-NZ 3.01Å; E153-K156 IonicContact OE2-NZ 2.67Å; E153-K156 PolarHBondContact OE2-NZ 3.24Å; Q154-K156 VanDerWaalsContact C-N 3.3Å; Q154-K156 PolarHBondContact O-N 3.24Å; K156-E158 VanDerWaalsContact C-N 3.33Å; K156-T159 WeakPolarHBondContact CA-OG1 3.34Å; K156-T159 PolarHBondContact O-N 3Å; K156-T159 PolarHBondContact O-OG1 3.14Å; K156-L160 WeakPolarHBondContact O-CB 3.33Å; K156-L160 VanDerWaalsContact O-CG 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.5Å; K156-L160 PolarHBondContact O-N 2.95Å
157V98.2Very high98.3Very high77 Ų77101.8 Ų101.847%0.46750%0.497SS..Hα-helixtrans-63.8-44.2175.4170.90000109.7E153 Q154 E155 T159 L160 E161E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.15Å; Q154-V157 WeakPolarHBondContact O-CB 3.49Å; Q154-V157 PolarHBondContact O-N 3.32Å; Q154-V157 VanDerWaalsContact O-N 3.11Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.01Å; V157-T159 VanDerWaalsContact C-N 3.34Å; V157-T159 PolarHBondContact O-N 2.92Å; V157-L160 PolarHBondContact O-N 3.27Å; V157-E161 HydrophobicContact CG1-CG 4.38Å; V157-E161 WeakPolarHBondContact O-CB 3.43Å; V157-E161 WeakPolarHBondContact O-CG 3.33Å; V157-E161 PolarHBondContact O-N 2.9Å
158E97.6Very high98.3Very high112 Ų112104.7 Ų104.752%0.52350%0.502SS..Hα-helixtrans-61.9-40.5178.1-68.2173.8-173.800112.2Q154 E155 K156 E161 A162Q154-E158 PolarHBondContact O-N 2.78Å; Q154-E158 VanDerWaalsContact O-N 3.09Å; E155-E158 PolarHBondContact O-N 3.24Å; K156-E158 VanDerWaalsContact C-N 3.33Å; E158-E161 PolarHBondContact O-N 3.44Å; E158-A162 PolarHBondContact O-N 3.45Å; E158-A162 VanDerWaalsContact O-N 3.11Å
159T98.2Very high98.3Very high80 Ų80107 Ų10749%0.49151%0.512SS..Hα-helixtrans-64.9-46.4174.656.40000111.8E155 K156 V157 E161 A162 D163E155-T159 PolarHBondContact O-N 3.4Å; K156-T159 WeakPolarHBondContact CA-OG1 3.34Å; K156-T159 PolarHBondContact O-N 3Å; K156-T159 PolarHBondContact O-OG1 3.14Å; V157-T159 VanDerWaalsContact C-N 3.34Å; V157-T159 PolarHBondContact O-N 2.92Å; T159-E161 VanDerWaalsContact C-N 3.3Å; T159-E161 PolarHBondContact O-N 2.89Å; T159-A162 WeakPolarHBondContact O-CB 3.39Å; T159-A162 PolarHBondContact O-N 3.32Å; T159-A162 VanDerWaalsContact O-N 3.08Å; T159-D163 VanDerWaalsContact O-CG 3.31Å; T159-D163 PolarHBondContact O-N 3.29Å
160L98.4Very high98.2Very high100 Ų100102 Ų10252%0.52450%0.501SS..Hα-helixtrans-64.4-35.5178.7-71.9172.1000112.2K156 V157 A162 D163 I164K156-L160 WeakPolarHBondContact O-CB 3.33Å; K156-L160 VanDerWaalsContact O-CG 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.5Å; K156-L160 PolarHBondContact O-N 2.95Å; V157-L160 PolarHBondContact O-N 3.27Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-D163 PolarHBondContact O-N 3.48Å; L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CD1 3.32Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.49Å
161E98.4Very high98.2Very high99 Ų99105.3 Ų105.346%0.46351%0.507SS..Hα-helixtrans-64.2-37173.2-78.9-168177.800112.5V157 E158 T159 K165V157-E161 HydrophobicContact CG1-CG 4.38Å; V157-E161 WeakPolarHBondContact O-CB 3.43Å; V157-E161 WeakPolarHBondContact O-CG 3.33Å; V157-E161 PolarHBondContact O-N 2.9Å; E158-E161 PolarHBondContact O-N 3.44Å; T159-E161 VanDerWaalsContact C-N 3.3Å; T159-E161 PolarHBondContact O-N 2.89Å; E161-K165 WeakPolarHBondContact O-CB 3.46Å; E161-K165 WeakPolarHBondContact O-CD 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.23Å; E161-K165 PolarHBondContact O-N 2.93Å; E161-K165 VanDerWaalsContact O-N 3.12Å; E161-K165 IonicContact OE2-NZ 3.09Å
162A98.2Very high98.2Very high51 Ų51104.4 Ų104.442%0.42151%0.507SS..Hα-helixtrans-66.7-47.1175.100000110.9E158 T159 L160 I164 K165 E166E158-A162 PolarHBondContact O-N 3.45Å; E158-A162 VanDerWaalsContact O-N 3.11Å; T159-A162 WeakPolarHBondContact O-CB 3.39Å; T159-A162 PolarHBondContact O-N 3.32Å; T159-A162 VanDerWaalsContact O-N 3.08Å; L160-A162 VanDerWaalsContact C-N 3.31Å; A162-I164 PolarHBondContact O-N 3.33Å; A162-K165 WeakPolarHBondContact O-CB 3.44Å; A162-K165 PolarHBondContact O-N 3.02Å; A162-K165 VanDerWaalsContact O-N 3.1Å; A162-E166 PolarHBondContact O-N 3.34Å
163D98.1Very high98.2Very high81 Ų81102.3 Ų102.343%0.43351%0.507SS..Hα-helixtrans-58-47.3177.2-63.6-16.7000111.1T159 L160 K165 E166 D167T159-D163 VanDerWaalsContact O-CG 3.31Å; T159-D163 PolarHBondContact O-N 3.29Å; L160-D163 PolarHBondContact O-N 3.48Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 3.38Å; D163-E166 WeakPolarHBondContact O-CB 3.49Å; D163-E166 PolarHBondContact O-N 2.88Å; D163-E166 VanDerWaalsContact O-N 3.15Å; D163-D167 WeakPolarHBondContact O-CB 3.48Å; D163-D167 PolarHBondContact O-N 3.09Å
164I98.2Very high98.1Very high113 Ų113104.3 Ų104.358%0.57952%0.517SS*.Hα-helixtrans-62.3-37.1177.4-70166.6000111.5L160 A162 R168L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CD1 3.32Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.49Å; A162-I164 PolarHBondContact O-N 3.33Å; I164-R168 VanDerWaalsContact O-CB 3.27Å; I164-R168 WeakPolarHBondContact O-CB 3.37Å; I164-R168 PolarHBondContact O-N 2.99Å
165K98.4Very high98.1Very high104 Ų104100.9 Ų100.945%0.45250%0.503SS..Hα-helixtrans-66.8-41.1176.5-75.5164.4-168.6157.50110.7E161 A162 D163 L169E161-K165 WeakPolarHBondContact O-CB 3.46Å; E161-K165 WeakPolarHBondContact O-CD 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.23Å; E161-K165 PolarHBondContact O-N 2.93Å; E161-K165 VanDerWaalsContact O-N 3.12Å; E161-K165 IonicContact OE2-NZ 3.09Å; A162-K165 WeakPolarHBondContact O-CB 3.44Å; A162-K165 PolarHBondContact O-N 3.02Å; A162-K165 VanDerWaalsContact O-N 3.1Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 3.38Å; K165-L169 WeakPolarHBondContact O-CG 3.42Å; K165-L169 PolarHBondContact O-N 3.2Å
166E98.3Very high98.1Very high133 Ų133100 Ų10062%0.62150%0.499SS*.Hα-helixtrans-64.2-50.9175.1-178.9171.2-162.800111.5A162 D163 R168 L169 S170A162-E166 PolarHBondContact O-N 3.34Å; D163-E166 WeakPolarHBondContact O-CB 3.49Å; D163-E166 PolarHBondContact O-N 2.88Å; D163-E166 VanDerWaalsContact O-N 3.15Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-L169 CarbonylContact O-C 3.54Å; E166-L169 WeakPolarHBondContact O-CA 3.47Å; E166-L169 WeakPolarHBondContact O-CB 3.24Å; E166-L169 PolarHBondContact O-N 3.01Å; E166-S170 WeakPolarHBondContact O-CB 3.49Å; E166-S170 PolarHBondContact O-N 3.45Å
167D98Very high98Very high107 Ų10799.2 Ų99.257%0.57250%0.504SS*.Hα-helixtrans-54.2-42.9176.5-82.7-15.7000111.5D163 L169 S170 W171D163-D167 WeakPolarHBondContact O-CB 3.48Å; D163-D167 PolarHBondContact O-N 3.09Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.48Å; D167-S170 PolarHBondContact O-N 3.3Å; D167-W171 VanDerWaalsContact O-CB 3.24Å; D167-W171 WeakPolarHBondContact O-CB 3.27Å; D167-W171 PolarHBondContact O-N 3.16Å
168R98.3Very high98Very high144 Ų14499.4 Ų99.454%0.54350%0.499SS..Hα-helixtrans-62.4-39.7176.5-177.2179.366.1178.1-0.4112.3I164 E166 K172I164-R168 VanDerWaalsContact O-CB 3.27Å; I164-R168 WeakPolarHBondContact O-CB 3.37Å; I164-R168 PolarHBondContact O-N 2.99Å; E166-R168 PolarHBondContact O-N 3.44Å; R168-K172 WeakPolarHBondContact O-CG 3.43Å; R168-K172 PolarHBondContact O-N 3.1Å
169L98.2Very high98Very high106 Ų106101.3 Ų101.356%0.55550%0.501SS*.Hα-helixtrans-71.1-46.6177.1-70.1173.3000110.9K165 E166 D167 W171 K172 C173K165-L169 WeakPolarHBondContact O-CG 3.42Å; K165-L169 PolarHBondContact O-N 3.2Å; E166-L169 CarbonylContact O-C 3.54Å; E166-L169 WeakPolarHBondContact O-CA 3.47Å; E166-L169 WeakPolarHBondContact O-CB 3.24Å; E166-L169 PolarHBondContact O-N 3.01Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.48Å; L169-W171 PolarHBondContact O-N 3.44Å; L169-K172 PolarHBondContact O-N 3.06Å; L169-C173 PolarHBondContact O-N 3.28Å; L169-C173 PolarHBondContact O-SG 3.37Å; L169-C173 VanDerWaalsContact O-SG 3.42Å
170S97.8Very high98.1Very high53 Ų53102.4 Ų102.437%0.37150%0.501SS..Hα-helixtrans-55.1-49.4175.5179.30000111.3E166 D167 K172 C173 Q174E166-S170 WeakPolarHBondContact O-CB 3.49Å; E166-S170 PolarHBondContact O-N 3.45Å; D167-S170 PolarHBondContact O-N 3.3Å; S170-K172 PolarHBondContact O-N 3.48Å; S170-C173 WeakPolarHBondContact O-CB 3.44Å; S170-C173 PolarHBondContact O-N 3.05Å; S170-Q174 WeakPolarHBondContact O-CG 3.37Å; S170-Q174 PolarHBondContact O-N 2.93Å; S170-Q174 PolarHBondContact OG-NE2 3.4Å
171W97.9Very high98Very high163 Ų163105.6 Ų105.662%0.61751%0.506SS*.Hα-helixtrans-60.6-43.4177.6-176.485.5000112.4D167 L169 C173 Q174 V175D167-W171 VanDerWaalsContact O-CB 3.24Å; D167-W171 WeakPolarHBondContact O-CB 3.27Å; D167-W171 PolarHBondContact O-N 3.16Å; L169-W171 PolarHBondContact O-N 3.44Å; W171-C173 VanDerWaalsContact C-N 3.34Å; W171-C173 PolarHBondContact O-N 2.93Å; W171-Q174 PolarHBondContact O-N 3.36Å; W171-V175 HydrophobicContact CD2-CG2 3.95Å; W171-V175 HydrophobicContact CE3-CG2 4.17Å; W171-V175 HydrophobicContact CH2-CG2 3.97Å; W171-V175 HydrophobicContact CZ2-CG2 3.72Å; W171-V175 HydrophobicContact CZ3-CG2 4.18Å; W171-V175 WeakPolarHBondContact O-CG2 3.35Å; W171-V175 PolarHBondContact O-N 2.88Å
172K98.2Very high98Very high124 Ų124105 Ų10554%0.53951%0.506SS..Hα-helixtrans-60.6-42.9175.2-79.4-178.4177.3-173.40112R168 L169 S170 V175 Q176R168-K172 WeakPolarHBondContact O-CG 3.43Å; R168-K172 PolarHBondContact O-N 3.1Å; L169-K172 PolarHBondContact O-N 3.06Å; S170-K172 PolarHBondContact O-N 3.48Å; K172-V175 PolarHBondContact O-N 2.82Å; K172-Q176 WeakPolarHBondContact O-CB 3.24Å; K172-Q176 PolarHBondContact O-N 3.42Å
173C97.9Very high98Very high82 Ų82108.3 Ų108.355%0.55451%0.512SS*.Hα-helixtrans-62.6-46.3175.6-710000111.5L169 S170 W171 V175 Q176 T177L169-C173 PolarHBondContact O-N 3.28Å; L169-C173 PolarHBondContact O-SG 3.37Å; L169-C173 VanDerWaalsContact O-SG 3.42Å; S170-C173 WeakPolarHBondContact O-CB 3.44Å; S170-C173 PolarHBondContact O-N 3.05Å; W171-C173 VanDerWaalsContact C-N 3.34Å; W171-C173 PolarHBondContact O-N 2.93Å; C173-V175 PolarHBondContact O-N 2.82Å; C173-Q176 PolarHBondContact O-N 3.47Å; C173-Q176 VanDerWaalsContact O-N 3.16Å; C173-T177 PolarHBondContact O-N 3.42Å; C173-T177 PolarHBondContact O-OG1 2.83Å; C173-T177 VanDerWaalsContact O-OG1 3.09Å
174Q97.6Very high98Very high123 Ų123108 Ų10858%0.57551%0.513SS*.Hα-helixtrans-58.6-46.4176.9-71.2178.131.200112S170 W171 Q176 T177 E178S170-Q174 WeakPolarHBondContact O-CG 3.37Å; S170-Q174 PolarHBondContact O-N 2.93Å; S170-Q174 PolarHBondContact OG-NE2 3.4Å; W171-Q174 PolarHBondContact O-N 3.36Å; Q174-Q176 VanDerWaalsContact C-N 3.3Å; Q174-Q176 PolarHBondContact O-N 2.83Å; Q174-T177 PolarHBondContact O-N 3.25Å; Q174-E178 PolarHBondContact O-N 3.48Å
175V97Very high97.9Very high44 Ų44104 Ų10427%0.26750%0.499SS..Hα-helixtrans-60.2-41.5176.5168.90000111.1W171 K172 C173 E178 R179W171-V175 HydrophobicContact CD2-CG2 3.95Å; W171-V175 HydrophobicContact CE3-CG2 4.17Å; W171-V175 HydrophobicContact CH2-CG2 3.97Å; W171-V175 HydrophobicContact CZ2-CG2 3.72Å; W171-V175 HydrophobicContact CZ3-CG2 4.18Å; W171-V175 WeakPolarHBondContact O-CG2 3.35Å; W171-V175 PolarHBondContact O-N 2.88Å; K172-V175 PolarHBondContact O-N 2.82Å; C173-V175 PolarHBondContact O-N 2.82Å; V175-E178 PolarHBondContact O-N 3.17Å; V175-R179 WeakPolarHBondContact O-CB 3.38Å; V175-R179 VanDerWaalsContact O-CG 3.25Å; V175-R179 WeakPolarHBondContact O-CG 3.47Å; V175-R179 PolarHBondContact O-N 3.01Å
176Q98.3Very high97.8Very high101 Ų101104.5 Ų104.547%0.47250%0.502SS..Hα-helixtrans-68.4-41.7179.3-173.9629.300112.4K172 C173 Q174 R179 Q180K172-Q176 WeakPolarHBondContact O-CB 3.24Å; K172-Q176 PolarHBondContact O-N 3.42Å; C173-Q176 PolarHBondContact O-N 3.47Å; C173-Q176 VanDerWaalsContact O-N 3.16Å; Q174-Q176 VanDerWaalsContact C-N 3.3Å; Q174-Q176 PolarHBondContact O-N 2.83Å; Q176-R179 WeakPolarHBondContact O-CB 3.44Å; Q176-R179 PolarHBondContact O-N 3.27Å; Q176-Q180 WeakPolarHBondContact O-CG 3.43Å; Q176-Q180 PolarHBondContact O-N 2.84Å
177T97.5Very high97.8Very high87 Ų87101.9 Ų101.953%0.53449%0.492SS..Hα-helixtrans-60.3-45.5174.2-61.80000111.1C173 Q174 R179 Q180 R181C173-T177 PolarHBondContact O-N 3.42Å; C173-T177 PolarHBondContact O-OG1 2.83Å; C173-T177 VanDerWaalsContact O-OG1 3.09Å; Q174-T177 PolarHBondContact O-N 3.25Å; T177-R179 PolarHBondContact O-N 3.17Å; T177-Q180 PolarHBondContact O-N 3.45Å; T177-R181 WeakPolarHBondContact O-CB 3.18Å; T177-R181 PolarHBondContact O-N 3.24Å
178E97.7Very high97.8Very high80 Ų80102.2 Ų102.237%0.37449%0.49SS..Hα-helixtrans-66.7-37.6178.5-169.958.7-153.500111.6Q174 V175 Q180 R181 I182Q174-E178 PolarHBondContact O-N 3.48Å; V175-E178 PolarHBondContact O-N 3.17Å; E178-Q180 VanDerWaalsContact C-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.07Å; E178-R181 PolarHBondContact O-N 2.91Å; E178-R181 IonicContact OE1-CZ 3.74Å; E178-R181 IonicContact OE1-NH1 3.65Å; E178-R181 IonicContact OE2-CZ 3.57Å; E178-R181 IonicContact OE2-NE 3.66Å; E178-R181 IonicContact OE2-NH1 2.82Å; E178-R181 PolarHBondContact OE2-NH1 3.12Å; E178-I182 HydrophobicContact CG-CD1 4.2Å; E178-I182 VanDerWaalsContact O-CG1 3.28Å; E178-I182 WeakPolarHBondContact O-CG1 3.47Å; E178-I182 PolarHBondContact O-N 3.17Å
179R98.4Very high97.7Very high152 Ų15299.7 Ų99.757%0.57449%0.487SS*.Hα-helixtrans-57-47.1171.4-76.9170.6-177.3-101.70.8111.8V175 Q176 T177 I182 Q183V175-R179 WeakPolarHBondContact O-CB 3.38Å; V175-R179 VanDerWaalsContact O-CG 3.25Å; V175-R179 WeakPolarHBondContact O-CG 3.47Å; V175-R179 PolarHBondContact O-N 3.01Å; Q176-R179 WeakPolarHBondContact O-CB 3.44Å; Q176-R179 PolarHBondContact O-N 3.27Å; T177-R179 PolarHBondContact O-N 3.17Å; R179-I182 PolarHBondContact O-N 3.25Å; R179-Q183 WeakPolarHBondContact O-CG 3.48Å; R179-Q183 PolarHBondContact O-N 3.44Å
180Q98.4Very high97.7Very high103 Ų103101.3 Ų101.348%0.48149%0.486SS..Hα-helixtrans-64.6-40.1178.4-73.2177.1-15.900112Q176 T177 E178 Q183 T184Q176-Q180 WeakPolarHBondContact O-CG 3.43Å; Q176-Q180 PolarHBondContact O-N 2.84Å; T177-Q180 PolarHBondContact O-N 3.45Å; E178-Q180 VanDerWaalsContact C-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.07Å; Q180-Q183 PolarHBondContact O-N 3.19Å; Q180-T184 VanDerWaalsContact O-CB 3.32Å; Q180-T184 WeakPolarHBondContact O-CB 3.35Å; Q180-T184 PolarHBondContact O-N 2.95Å; Q180-T184 PolarHBondContact O-OG1 3.36Å
181R98.1Very high97.8Very high168 Ų168107.1 Ų107.163%0.63450%0.5SS*.Hα-helixtrans-62.4-45.5176-179.8-179.2156.6-156.71.1111.7T177 E178 T184 G185T177-R181 WeakPolarHBondContact O-CB 3.18Å; T177-R181 PolarHBondContact O-N 3.24Å; E178-R181 PolarHBondContact O-N 2.91Å; E178-R181 IonicContact OE1-CZ 3.74Å; E178-R181 IonicContact OE1-NH1 3.65Å; E178-R181 IonicContact OE2-CZ 3.57Å; E178-R181 IonicContact OE2-NE 3.66Å; E178-R181 IonicContact OE2-NH1 2.82Å; E178-R181 PolarHBondContact OE2-NH1 3.12Å; R181-T184 PolarHBondContact O-N 3.42Å; R181-G185 PolarHBondContact O-N 2.82Å
182I97.1Very high97.7Very high87 Ų87104.3 Ų104.345%0.44650%0.496SS..Hα-helixtrans-58.2-51.7174.8-69.6166.6000110E178 R179 T184 G185 F186E178-I182 HydrophobicContact CG-CD1 4.2Å; E178-I182 VanDerWaalsContact O-CG1 3.28Å; E178-I182 WeakPolarHBondContact O-CG1 3.47Å; E178-I182 PolarHBondContact O-N 3.17Å; R179-I182 PolarHBondContact O-N 3.25Å; I182-T184 VanDerWaalsContact C-N 3.33Å; I182-T184 PolarHBondContact O-N 3.2Å; I182-G185 PolarHBondContact O-N 2.88Å; I182-F186 HydrophobicContact CG2-CD2 3.82Å; I182-F186 HydrophobicContact CG2-CE2 3.93Å; I182-F186 WeakPolarHBondContact O-CD2 3.23Å; I182-F186 PolarHBondContact O-N 2.95Å
183Q98.6Very high97.7Very high120 Ų120102.7 Ų102.756%0.56149%0.492SS*.Hα-helixtrans-59.4-43179.7-73.4175.8-2200112.5R179 Q180 F186 N187R179-Q183 WeakPolarHBondContact O-CG 3.48Å; R179-Q183 PolarHBondContact O-N 3.44Å; Q180-Q183 PolarHBondContact O-N 3.19Å; Q183-F186 PolarHBondContact O-N 3.18Å; Q183-N187 WeakPolarHBondContact O-CB 3.43Å; Q183-N187 VanDerWaalsContact O-CG 3.22Å; Q183-N187 PolarHBondContact O-N 3.42Å; Q183-N187 PolarHBondContact O-ND2 3.38Å
184T98.3Very high97.7Very high74 Ų74103 Ų10345%0.45449%0.488SS..Hα-helixtrans-62.5-46.3177.8-59.40000111.1Q180 R181 I182 F186 N187 Q188Q180-T184 VanDerWaalsContact O-CB 3.32Å; Q180-T184 WeakPolarHBondContact O-CB 3.35Å; Q180-T184 PolarHBondContact O-N 2.95Å; Q180-T184 PolarHBondContact O-OG1 3.36Å; R181-T184 PolarHBondContact O-N 3.42Å; I182-T184 VanDerWaalsContact C-N 3.33Å; I182-T184 PolarHBondContact O-N 3.2Å; T184-F186 PolarHBondContact O-N 3.44Å; T184-N187 PolarHBondContact O-N 3.33Å; T184-Q188 WeakPolarHBondContact O-CG 3.49Å; T184-Q188 PolarHBondContact O-N 3.35Å
185G96.3Very high97.7Very high28 Ų28104.2 Ų104.229%0.28949%0.492SS..Hα-helixtrans-59.1-46.9176.800000112.4R181 I182 N187 Q188 L189R181-G185 PolarHBondContact O-N 2.82Å; I182-G185 PolarHBondContact O-N 2.88Å; G185-N187 PolarHBondContact O-N 3.23Å; G185-Q188 PolarHBondContact O-N 3.06Å; G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 2.93Å
186F96.9Very high97.7Very high116 Ų116105.9 Ų105.951%0.50950%0.497SS..Hα-helixtrans-66.3-35.8177.2-85.2-78.5000113.3I182 Q183 T184 Q188 L189 R190I182-F186 HydrophobicContact CG2-CD2 3.82Å; I182-F186 HydrophobicContact CG2-CE2 3.93Å; I182-F186 WeakPolarHBondContact O-CD2 3.23Å; I182-F186 PolarHBondContact O-N 2.95Å; Q183-F186 PolarHBondContact O-N 3.18Å; T184-F186 PolarHBondContact O-N 3.44Å; F186-Q188 VanDerWaalsContact C-N 3.33Å; F186-L189 HydrophobicContact CD1-CD1 4.36Å; F186-L189 PolarHBondContact O-N 3.41Å; F186-R190 WeakPolarHBondContact O-CG 3.22Å; F186-R190 PolarHBondContact O-N 2.81Å
187N98.4Very high97.6Very high77 Ų77106.5 Ų106.541%0.41250%0.5SS..Hα-helixtrans-66.3-35.9175.2-74.5-18.8000112.2Q183 T184 G185 R190 R191Q183-N187 WeakPolarHBondContact O-CB 3.43Å; Q183-N187 VanDerWaalsContact O-CG 3.22Å; Q183-N187 PolarHBondContact O-N 3.42Å; Q183-N187 PolarHBondContact O-ND2 3.38Å; T184-N187 PolarHBondContact O-N 3.33Å; G185-N187 PolarHBondContact O-N 3.23Å; N187-R190 PolarHBondContact OD1-NH1 2.93Å; N187-R191 WeakPolarHBondContact O-CG 3.49Å; N187-R191 PolarHBondContact O-N 3.41Å; N187-R191 VanDerWaalsContact O-N 3.14Å
188Q98Very high97.6Very high114 Ų114107.1 Ų107.153%0.53350%0.496SS..Hα-helixtrans-64.6-44.8172.3-70.9173.6-200111.5T184 G185 F186 R190 R191 I192T184-Q188 WeakPolarHBondContact O-CG 3.49Å; T184-Q188 PolarHBondContact O-N 3.35Å; G185-Q188 PolarHBondContact O-N 3.06Å; F186-Q188 VanDerWaalsContact C-N 3.33Å; Q188-R190 PolarHBondContact O-N 3.4Å; Q188-R191 PolarHBondContact O-N 2.9Å; Q188-I192 WeakPolarHBondContact O-CG1 3.44Å; Q188-I192 PolarHBondContact O-N 3.39Å
189L96Very high97.6Very high92 Ų92110.4 Ų110.448%0.48251%0.505SS..Hα-helixtrans-58.9-46.3176.9-69.7173.6000111.9G185 F186 R191 I192 L193G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 2.93Å; F186-L189 HydrophobicContact CD1-CD1 4.36Å; F186-L189 PolarHBondContact O-N 3.41Å; L189-R191 PolarHBondContact O-N 3.37Å; L189-I192 PolarHBondContact O-N 3.19Å; L189-I192 VanDerWaalsContact O-N 3.17Å; L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.5Å
190R98.2Very high97.5Very high139 Ų139104.7 Ų104.753%0.52549%0.485SS..Hα-helixtrans-57-48.5175.2-70.5178.5-169.6124.1-0.5111.8F186 N187 Q188 I192 L193 D194F186-R190 WeakPolarHBondContact O-CG 3.22Å; F186-R190 PolarHBondContact O-N 2.81Å; N187-R190 PolarHBondContact OD1-NH1 2.93Å; Q188-R190 PolarHBondContact O-N 3.4Å; R190-I192 PolarHBondContact O-N 3.31Å; R190-L193 PolarHBondContact O-N 2.97Å; R190-D194 PolarHBondContact O-N 3.46Å
191R98.4Very high97.5Very high175 Ų175103.3 Ų103.366%0.6648%0.481SS*.Hα-helixtrans-58.7-34.3177.3-72.9175.1179.8-1740.5113.4N187 Q188 L189 K195N187-R191 WeakPolarHBondContact O-CG 3.49Å; N187-R191 PolarHBondContact O-N 3.41Å; N187-R191 VanDerWaalsContact O-N 3.14Å; Q188-R191 PolarHBondContact O-N 2.9Å; L189-R191 PolarHBondContact O-N 3.37Å; R191-K195 WeakPolarHBondContact O-CB 3.39Å; R191-K195 VanDerWaalsContact O-CG 3.25Å; R191-K195 WeakPolarHBondContact O-CG 3.44Å; R191-K195 PolarHBondContact O-N 3.34Å
192I97.2Very high97.4Very high105 Ų105100.7 Ų100.754%0.53847%0.474SS..Hα-helixtrans-68.5-46.8176-68.1165.4000109.7Q188 L189 R190 K195 E196Q188-I192 WeakPolarHBondContact O-CG1 3.44Å; Q188-I192 PolarHBondContact O-N 3.39Å; L189-I192 PolarHBondContact O-N 3.19Å; L189-I192 VanDerWaalsContact O-N 3.17Å; R190-I192 PolarHBondContact O-N 3.31Å; I192-K195 PolarHBondContact O-N 3.04Å; I192-E196 PolarHBondContact O-N 3.31Å
193L96.4Very high97.3Very high89 Ų89100.2 Ų100.247%0.46647%0.467SS..Hα-helixtrans-62.1-45178.5-66.1174.5000111.8L189 R190 K195 E196 E197 L282L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.5Å; R190-L193 PolarHBondContact O-N 2.97Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.17Å; L193-E196 PolarHBondContact O-N 3.5Å; L193-E196 VanDerWaalsContact O-N 3.12Å; L193-E197 PolarHBondContact O-N 3.05Å; L193-L282 HydrophobicContact CD2-CD1 3.83Å
194D98.2Very high97.2Very high88 Ų8898.2 Ų98.247%0.47146%0.459SS..Hα-helixtrans-58.7-43.6176.7-60.4-21.9000110.7R190 E196 E197 Q198R190-D194 PolarHBondContact O-N 3.46Å; D194-E196 VanDerWaalsContact C-N 3.32Å; D194-E196 PolarHBondContact O-N 2.94Å; D194-E197 PolarHBondContact O-N 3.27Å; D194-Q198 VanDerWaalsContact O-CG 3.27Å; D194-Q198 WeakPolarHBondContact O-CG 3.23Å; D194-Q198 PolarHBondContact O-N 3.38Å
195K98.1Very high97.1Very high149 Ų149100.9 Ų100.965%0.64846%0.461SS*.Hα-helixtrans-63.8-38.3177-78.4177.3179.7-173.50112.5R191 I192 L193 R199R191-K195 WeakPolarHBondContact O-CB 3.39Å; R191-K195 VanDerWaalsContact O-CG 3.25Å; R191-K195 WeakPolarHBondContact O-CG 3.44Å; R191-K195 PolarHBondContact O-N 3.34Å; I192-K195 PolarHBondContact O-N 3.04Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.17Å; K195-R199 WeakPolarHBondContact O-CB 3.45Å; K195-R199 PolarHBondContact O-N 3.35Å
196E96.4Very high97.1Very high80 Ų80104.7 Ų104.737%0.37447%0.471SS..Hα-helixtrans-71.3-41.2-180-162.759.9-166.300111.5I192 L193 D194 Q198 R199 E200I192-E196 PolarHBondContact O-N 3.31Å; L193-E196 PolarHBondContact O-N 3.5Å; L193-E196 VanDerWaalsContact O-N 3.12Å; D194-E196 VanDerWaalsContact C-N 3.32Å; D194-E196 PolarHBondContact O-N 2.94Å; E196-Q198 PolarHBondContact O-N 3.05Å; E196-R199 WeakPolarHBondContact O-CB 3.44Å; E196-R199 PolarHBondContact O-N 3.16Å; E196-R199 IonicContact OE1-NE 2.82Å; E196-R199 IonicContact OE2-CZ 3.05Å; E196-R199 IonicContact OE2-NE 2.83Å; E196-R199 PolarHBondContact OE2-NE 3.01Å; E196-R199 IonicContact OE2-NH2 2.66Å; E196-E200 WeakPolarHBondContact O-CG 3.31Å; E196-E200 PolarHBondContact O-N 3.32Å
197E97Very high96.9Very high113 Ų113100.2 Ų100.253%0.52845%0.452SS..Hα-helixtrans-57.4-48.4170.9-179.5-179.7-14700111.3L193 D194 R199 E200 L201L193-E197 PolarHBondContact O-N 3.05Å; D194-E197 PolarHBondContact O-N 3.27Å; E197-R199 VanDerWaalsContact C-N 3.28Å; E197-R199 PolarHBondContact O-N 3.01Å; E197-E200 PolarHBondContact O-N 3.39Å; E197-L201 HydrophobicContact CG-CD1 3.99Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.46Å; E197-L201 PolarHBondContact O-N 2.82Å
198Q98.4Very high96.7Very high100 Ų100101.9 Ų101.947%0.46746%0.457SS..Hα-helixtrans-63.6-34.2178.7-68.4-52-49.500112.8D194 E196 K202D194-Q198 VanDerWaalsContact O-CG 3.27Å; D194-Q198 WeakPolarHBondContact O-CG 3.23Å; D194-Q198 PolarHBondContact O-N 3.38Å; E196-Q198 PolarHBondContact O-N 3.05Å; Q198-K202 WeakPolarHBondContact O-CB 3.18Å; Q198-K202 PolarHBondContact O-N 2.92Å
199R97.2Very high96.7Very high149 Ų149101.3 Ų101.356%0.56246%0.455SS*.Hα-helixtrans-63.2-49174.9-176.2-163.8-52.5-78.3-3.3111K195 E196 E197 K202 R203K195-R199 WeakPolarHBondContact O-CB 3.45Å; K195-R199 PolarHBondContact O-N 3.35Å; E196-R199 WeakPolarHBondContact O-CB 3.44Å; E196-R199 PolarHBondContact O-N 3.16Å; E196-R199 IonicContact OE1-NE 2.82Å; E196-R199 IonicContact OE2-CZ 3.05Å; E196-R199 IonicContact OE2-NE 2.83Å; E196-R199 PolarHBondContact OE2-NE 3.01Å; E196-R199 IonicContact OE2-NH2 2.66Å; E197-R199 VanDerWaalsContact C-N 3.28Å; E197-R199 PolarHBondContact O-N 3.01Å; R199-K202 PolarHBondContact O-N 3.15Å; R199-R203 PolarHBondContact O-N 3.33Å
200E96.5Very high96.6Very high32 Ų32103.2 Ų103.215%0.1546%0.463CS..Hα-helixtrans-64.6-44.1-179.5-69.9-65.6129.100111.6E196 E197 K202 R203 L204 F277E196-E200 WeakPolarHBondContact O-CG 3.31Å; E196-E200 PolarHBondContact O-N 3.32Å; E197-E200 PolarHBondContact O-N 3.39Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.1Å; E200-R203 PolarHBondContact O-N 3.12Å; E200-R203 IonicContact OE1-CZ 3.59Å; E200-R203 IonicContact OE1-NH1 3.76Å; E200-R203 PolarHBondContact OE1-NH1 3.31Å; E200-R203 IonicContact OE2-CZ 3.79Å; E200-R203 IonicContact OE2-NH1 3.47Å; E200-R203 PolarHBondContact OE2-NH1 3.24Å; E200-R203 IonicContact OE2-NH2 3.23Å; E200-R203 PolarHBondContact OE2-NH2 3.01Å; E200-L204 PolarHBondContact O-N 2.89Å; E200-F277 HydrophobicContact CB-CD2 4.39Å; E200-F277 HydrophobicContact CG-CD2 3.67Å; E200-F277 HydrophobicContact CG-CE2 3.83Å; E200-F277 VanDerWaalsContact OE2-CD2 3.23Å; E200-F277 WeakPolarHBondContact OE2-CD2 3.07Å
201L97.2Very high96.4Very high75 Ų7598.8 Ų98.839%0.39345%0.449SS..Hα-helixtrans-64.6-36.5175.5-72173.9000112.8E197 R205E197-L201 HydrophobicContact CG-CD1 3.99Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.46Å; E197-L201 PolarHBondContact O-N 2.82Å; L201-R205 WeakPolarHBondContact O-CG 3.5Å; L201-R205 PolarHBondContact O-N 3.24Å; L201-R205 VanDerWaalsContact O-N 3.11Å; L201-R205 PolarHBondContact O-NE 2.91Å; L201-R205 VanDerWaalsContact O-NE 3.16Å
202K97.5Very high96.2Very high113 Ų11394.6 Ų94.649%0.49144%0.439SS..Hα-helixtrans-66.2-46.2175.9179.1177.9168.2179.70110.7Q198 R199 E200 L204 R205 E206Q198-K202 WeakPolarHBondContact O-CB 3.18Å; Q198-K202 PolarHBondContact O-N 2.92Å; R199-K202 PolarHBondContact O-N 3.15Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.1Å; K202-L204 VanDerWaalsContact C-N 3.29Å; K202-L204 PolarHBondContact O-N 2.89Å; K202-R205 PolarHBondContact O-N 3.49Å; K202-E206 WeakPolarHBondContact CE-OE1 3.4Å; K202-E206 IonicContact NZ-OE1 2.74Å; K202-E206 WeakPolarHBondContact O-CG 3.5Å; K202-E206 PolarHBondContact O-N 3.35Å
203R95.2Very high96.1Very high77 Ų7794.2 Ų94.229%0.29144%0.438SS..Hα-helixtrans-55.9-46.2176.5-173.3-174.175-134.7-8.2111.2R199 E200 R205 E206 E207R199-R203 PolarHBondContact O-N 3.33Å; E200-R203 PolarHBondContact O-N 3.12Å; E200-R203 IonicContact OE1-CZ 3.59Å; E200-R203 IonicContact OE1-NH1 3.76Å; E200-R203 PolarHBondContact OE1-NH1 3.31Å; E200-R203 IonicContact OE2-CZ 3.79Å; E200-R203 IonicContact OE2-NH1 3.47Å; E200-R203 PolarHBondContact OE2-NH1 3.24Å; E200-R203 IonicContact OE2-NH2 3.23Å; E200-R203 PolarHBondContact OE2-NH2 3.01Å; R203-R205 PolarHBondContact O-N 3.22Å; R203-E206 PolarHBondContact O-N 3.03Å; R203-E207 PolarHBondContact O-N 2.98Å
204L95.6Very high96Very high77 Ų7792.9 Ų92.940%0.40344%0.436SS..Hα-helixtrans-62.8-42.8179.6-17761.2000112.2E200 K202 E206 E207 E208 L273E200-L204 PolarHBondContact O-N 2.89Å; K202-L204 VanDerWaalsContact C-N 3.29Å; K202-L204 PolarHBondContact O-N 2.89Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.36Å; L204-E207 PolarHBondContact O-N 2.96Å; L204-E208 WeakPolarHBondContact O-CB 3.48Å; L204-E208 PolarHBondContact O-N 2.85Å; L204-L273 HydrophobicContact CD1-CD1 4.23Å; L204-L273 HydrophobicContact CD1-CD2 3.94Å
205R96.5Very high95.9Very high130 Ų13092.3 Ų92.349%0.49143%0.433SS..Hα-helixtrans-61.7-40.2175.9-79.8179.5-82.5136.6-12.6112.8L201 K202 R203 Q209L201-R205 WeakPolarHBondContact O-CG 3.5Å; L201-R205 PolarHBondContact O-N 3.24Å; L201-R205 VanDerWaalsContact O-N 3.11Å; L201-R205 PolarHBondContact O-NE 2.91Å; L201-R205 VanDerWaalsContact O-NE 3.16Å; K202-R205 PolarHBondContact O-N 3.49Å; R203-R205 PolarHBondContact O-N 3.22Å; R205-Q209 WeakPolarHBondContact O-CB 3.39Å; R205-Q209 PolarHBondContact O-N 3.39Å
206E95.4Very high95.8Very high108 Ų10887.5 Ų87.551%0.50542%0.421SS..Hα-helixtrans-66.3-40177.4-71.6171.4168.100111.6K202 R203 L204 M210K202-E206 WeakPolarHBondContact CE-OE1 3.4Å; K202-E206 IonicContact NZ-OE1 2.74Å; K202-E206 WeakPolarHBondContact O-CG 3.5Å; K202-E206 PolarHBondContact O-N 3.35Å; R203-E206 PolarHBondContact O-N 3.03Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.36Å; E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 PolarHBondContact O-N 2.96Å
207E93.9Very high95.8Very high23 Ų2385.9 Ų85.911%0.10743%0.426CS..Hα-helixtrans-68-42.8175.6-177167.7-159.200112.3R203 L204 M210 I211 L273 S274R203-E207 PolarHBondContact O-N 2.98Å; L204-E207 PolarHBondContact O-N 2.96Å; E207-M210 PolarHBondContact O-N 2.85Å; E207-I211 HydrophobicContact CG-CD1 4.1Å; E207-I211 WeakPolarHBondContact O-CG1 3.35Å; E207-I211 PolarHBondContact O-N 3.32Å; E207-L273 HydrophobicContact CG-CD2 4.33Å; E207-S274 WeakPolarHBondContact OE1-CA 3.4Å; E207-S274 WeakPolarHBondContact OE1-CB 3.46Å; E207-S274 PolarHBondContact OE1-N 3.49Å; E207-S274 PolarHBondContact OE1-OG 2.93Å; E207-S274 PolarHBondContact OE2-OG 3.41Å
208E94.4Very high95.7Very high112 Ų11281.4 Ų81.452%0.52341%0.408SS..Hα-helixtrans-57.8-50.5173.7177.8176.4-146.300111.2L204 M210 I211 L212L204-E208 WeakPolarHBondContact O-CB 3.48Å; L204-E208 PolarHBondContact O-N 2.85Å; E208-M210 VanDerWaalsContact C-N 3.34Å; E208-M210 PolarHBondContact O-N 2.95Å; E208-I211 PolarHBondContact O-N 3.42Å; E208-L212 HydrophobicContact CG-CD1 3.91Å; E208-L212 HydrophobicContact CG-CG 4.38Å; E208-L212 WeakPolarHBondContact O-CG 3.28Å; E208-L212 PolarHBondContact O-N 3.41Å
209Q96.1Very high95.6Very high102 Ų10283.1 Ų83.148%0.47742%0.416SS..Hα-helixtrans-59.7-44.3179.1-172.863.855.900111.6R205 I211 L212 D213R205-Q209 WeakPolarHBondContact O-CB 3.39Å; R205-Q209 PolarHBondContact O-N 3.39Å; Q209-I211 VanDerWaalsContact C-N 3.31Å; Q209-I211 PolarHBondContact O-N 3.44Å; Q209-L212 PolarHBondContact O-N 2.94Å; Q209-D213 PolarHBondContact NE2-OD1 2.84Å; Q209-D213 WeakPolarHBondContact O-CB 3.42Å; Q209-D213 PolarHBondContact O-N 3.15Å
210M94Very high95.6Very high132 Ų13278.3 Ų78.365%0.6541%0.408SS*.Hα-helixtrans-59.4-41.5177.8-174.6-167.4-51.500112.2E206 E207 E208 S214E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 PolarHBondContact O-N 2.96Å; E207-M210 PolarHBondContact O-N 2.85Å; E208-M210 VanDerWaalsContact C-N 3.34Å; E208-M210 PolarHBondContact O-N 2.95Å; M210-S214 PolarHBondContact O-N 3.46Å
211I93.9Very high95.6Very high46 Ų4680.7 Ų80.724%0.23642%0.419CS..Hα-helixtrans-68.5-45.1177.6-69.5170000110.4E207 E208 Q209 S214 L215 V269E207-I211 HydrophobicContact CG-CD1 4.1Å; E207-I211 WeakPolarHBondContact O-CG1 3.35Å; E207-I211 PolarHBondContact O-N 3.32Å; E208-I211 PolarHBondContact O-N 3.42Å; Q209-I211 VanDerWaalsContact C-N 3.31Å; Q209-I211 PolarHBondContact O-N 3.44Å; I211-S214 PolarHBondContact O-N 3.17Å; I211-L215 HydrophobicContact CG2-CD1 3.98Å; I211-L215 HydrophobicContact CG2-CG 4.43Å; I211-L215 WeakPolarHBondContact O-CG 3.44Å; I211-L215 PolarHBondContact O-N 3.46Å; I211-V269 HydrophobicContact CG1-CG1 4.5Å; I211-V269 HydrophobicContact CG2-CG1 4.08Å
212L95Very high95.6Very high87 Ų8780.8 Ų80.846%0.45542%0.42SS..Hα-helixtrans-61.7-43.8178.7-71.6175.4000112E208 Q209 S214 L215 A216E208-L212 HydrophobicContact CG-CD1 3.91Å; E208-L212 HydrophobicContact CG-CG 4.38Å; E208-L212 WeakPolarHBondContact O-CG 3.28Å; E208-L212 PolarHBondContact O-N 3.41Å; Q209-L212 PolarHBondContact O-N 2.94Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.49Å; L212-L215 PolarHBondContact O-N 3.11Å; L212-A216 WeakPolarHBondContact O-CB 3.41Å; L212-A216 PolarHBondContact O-N 3.06Å
213D95.6Very high95.6Very high96 Ų9678.3 Ų78.351%0.51342%0.421SS..Hα-helixtrans-61.5-40.6176.5-68.8-19.3000111.3Q209 L215 G217Q209-D213 PolarHBondContact NE2-OD1 2.84Å; Q209-D213 WeakPolarHBondContact O-CB 3.42Å; Q209-D213 PolarHBondContact O-N 3.15Å; D213-L215 VanDerWaalsContact C-N 3.35Å; D213-G217 PolarHBondContact O-N 3.07Å
214S94.5Very high95.7Very high61 Ų6181.1 Ų81.143%0.42744%0.437SS..Hα-helixtrans-67-35.6176.2-172.40000112.7M210 I211 L212 A218 V269M210-S214 PolarHBondContact O-N 3.46Å; I211-S214 PolarHBondContact O-N 3.17Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.49Å; S214-A218 PolarHBondContact O-N 2.86Å; S214-V269 VanDerWaalsContact OG-CG2 3.24Å; S214-V269 WeakPolarHBondContact OG-CG2 3.21Å
215L94.9Very high95.7Very high76 Ų7678.4 Ų78.440%0.39842%0.422SS..Hα-helixtrans-71.5-44.9176.5-71.5172.5000111.2I211 L212 D213 G217 A218 E219 V269I211-L215 HydrophobicContact CG2-CD1 3.98Å; I211-L215 HydrophobicContact CG2-CG 4.43Å; I211-L215 WeakPolarHBondContact O-CG 3.44Å; I211-L215 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 3.11Å; D213-L215 VanDerWaalsContact C-N 3.35Å; L215-G217 VanDerWaalsContact C-N 3.27Å; L215-G217 PolarHBondContact O-N 3.08Å; L215-A218 WeakPolarHBondContact O-CB 3.47Å; L215-A218 PolarHBondContact O-N 3.43Å; L215-E219 WeakPolarHBondContact O-CG 3.24Å; L215-E219 PolarHBondContact O-N 3.38Å; L215-V269 HydrophobicContact CD2-CB 4.2Å; L215-V269 HydrophobicContact CD2-CG2 3.93Å; L215-V269 HydrophobicContact CG-CG2 4.39Å
216A96.2Very high95.8Very high49 Ų4974.9 Ų74.941%0.40542%0.418SS..Hα-helixtrans-58.8-39.2175.700000111.7L212 E219 A220L212-A216 WeakPolarHBondContact O-CB 3.41Å; L212-A216 PolarHBondContact O-N 3.06Å; A216-E219 PolarHBondContact O-N 2.86Å; A216-A220 WeakPolarHBondContact O-CB 3.35Å; A216-A220 PolarHBondContact O-N 2.95Å
217G96.2Very high95.8Very high45 Ų4574.2 Ų74.246%0.46442%0.415SS..Hα-helixtrans-62.2-41.6172.600000113.2D213 L215 A220 E221D213-G217 PolarHBondContact O-N 3.07Å; L215-G217 VanDerWaalsContact C-N 3.27Å; L215-G217 PolarHBondContact O-N 3.08Å; G217-A220 PolarHBondContact O-N 3.44Å; G217-E221 PolarHBondContact O-N 3.28Å
218A95.5Very high95.9Very high19 Ų1976.8 Ų76.816%0.15743%0.428CS..Hα-helixtrans-68.5-37.4176.600000112.6S214 L215 E221 L222 P266S214-A218 PolarHBondContact O-N 2.86Å; L215-A218 WeakPolarHBondContact O-CB 3.47Å; L215-A218 PolarHBondContact O-N 3.43Å; A218-E221 PolarHBondContact O-N 3.43Å; A218-L222 WeakPolarHBondContact O-CG 3.2Å; A218-L222 PolarHBondContact O-N 3.31Å; A218-L222 VanDerWaalsContact O-N 3.08Å; A218-P266 HydrophobicContact CB-CB 3.68Å; A218-P266 HydrophobicContact CB-CG 4.22Å
219E96.4Very high95.9Very high136 Ų13673.1 Ų73.164%0.63641%0.414SS*.Hα-helixtrans-63.8-44.5173.8-72.7176.6165.900111.3L215 A216 E221 L222 A223L215-E219 WeakPolarHBondContact O-CG 3.24Å; L215-E219 PolarHBondContact O-N 3.38Å; A216-E219 PolarHBondContact O-N 2.86Å; E219-E221 PolarHBondContact O-N 2.96Å; E219-L222 PolarHBondContact O-N 2.84Å; E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 2.97Å
220A97Very high95.9Very high48 Ų4873 Ų7340%0.39741%0.413SS..Hα-helixtrans-62.9-40176.200000112.5A216 G217 A223 Q224A216-A220 WeakPolarHBondContact O-CB 3.35Å; A216-A220 PolarHBondContact O-N 2.95Å; G217-A220 PolarHBondContact O-N 3.44Å; A220-A223 PolarHBondContact O-N 3.28Å; A220-Q224 WeakPolarHBondContact O-CG 3.29Å; A220-Q224 PolarHBondContact O-N 3.39Å
221E96.3Very high95.9Very high82 Ų8271.5 Ų71.538%0.38341%0.405SS..Hα-helixtrans-62.5-41.5174.9-174.6-179.6-174.600111.7G217 A218 E219 Q225G217-E221 PolarHBondContact O-N 3.28Å; A218-E221 PolarHBondContact O-N 3.43Å; E219-E221 PolarHBondContact O-N 2.96Å; E221-Q225 WeakPolarHBondContact O-CG 3.44Å; E221-Q225 PolarHBondContact O-N 3.01Å; E221-Q225 VanDerWaalsContact O-N 3.11Å
222L97.2Very high95.9Very high77 Ų7770.1 Ų70.140%0.40340%0.398SS..Hα-helixtrans-68.5-39.4175.9-74.3173.7000112.4A218 E219 Q224 Q225 S226 L263 P266A218-L222 WeakPolarHBondContact O-CG 3.2Å; A218-L222 PolarHBondContact O-N 3.31Å; A218-L222 VanDerWaalsContact O-N 3.08Å; E219-L222 PolarHBondContact O-N 2.84Å; L222-Q224 PolarHBondContact O-N 3.19Å; L222-Q225 PolarHBondContact O-N 3.21Å; L222-S226 PolarHBondContact O-N 2.88Å; L222-L263 HydrophobicContact CD2-CD1 4.19Å; L222-P266 HydrophobicContact CD1-CG 3.96Å; L222-P266 HydrophobicContact CD2-CG 3.85Å; L222-P266 HydrophobicContact CG-CG 3.59Å
223A97.5Very high95.9Very high62 Ų6269.9 Ų69.951%0.51240%0.396SS..Hα-helixtrans-61.5-43.4176.600000111.6E219 A220 Q225 S226 Q227E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 2.97Å; A220-A223 PolarHBondContact O-N 3.28Å; A223-Q225 PolarHBondContact O-N 3.32Å; A223-S226 PolarHBondContact O-N 2.74Å; A223-Q227 PolarHBondContact O-N 3.38Å
224Q97.1Very high95.9Very high136 Ų13668.5 Ų68.564%0.63639%0.394SS*.Hα-helixtrans-62.7-41.7174.6-71.4175.61300112.2A220 L222 Q227 L228A220-Q224 WeakPolarHBondContact O-CG 3.29Å; A220-Q224 PolarHBondContact O-N 3.39Å; L222-Q224 PolarHBondContact O-N 3.19Å; Q224-Q227 PolarHBondContact O-N 3.49Å; Q224-L228 WeakPolarHBondContact O-CG 3.38Å; Q224-L228 PolarHBondContact O-N 2.99Å; Q224-L228 VanDerWaalsContact O-N 3.1Å
225Q96.8Very high95.8Very high19 Ų1967.8 Ų67.89%0.08939%0.385CS..Hα-helixtrans-65.6-39.7175.6-73.8-176.277.500112.3E221 L222 A223 L228 V229 W261 L263 K264E221-Q225 WeakPolarHBondContact O-CG 3.44Å; E221-Q225 PolarHBondContact O-N 3.01Å; E221-Q225 VanDerWaalsContact O-N 3.11Å; L222-Q225 PolarHBondContact O-N 3.21Å; A223-Q225 PolarHBondContact O-N 3.32Å; Q225-L228 PolarHBondContact O-N 3.48Å; Q225-V229 VanDerWaalsContact O-CG2 3.3Å; Q225-V229 WeakPolarHBondContact O-CG2 3.17Å; Q225-V229 PolarHBondContact O-N 3.09Å; Q225-V229 VanDerWaalsContact O-N 3.07Å; Q225-W261 HydrophobicContact CB-CZ2 4.4Å; Q225-L263 HydrophobicContact CB-CD1 4.37Å; Q225-K264 PolarHBondContact NE2-O 3.35Å; Q225-K264 PolarHBondContact OE1-O 3.26Å
226S96.9Very high95.6Very high57 Ų5766.5 Ų66.540%0.39938%0.379SS..Hα-helixtrans-59.2-48.5175.1-162.30000111L222 A223 L228 V229 E230L222-S226 PolarHBondContact O-N 2.88Å; A223-S226 PolarHBondContact O-N 2.74Å; S226-L228 PolarHBondContact O-N 3.07Å; S226-V229 WeakPolarHBondContact O-CB 3.5Å; S226-V229 PolarHBondContact O-N 3.07Å; S226-V229 VanDerWaalsContact O-N 3.11Å; S226-E230 WeakPolarHBondContact O-CG 3.26Å; S226-E230 PolarHBondContact O-N 3.44Å; S226-E230 PolarHBondContact OG-OE1 3.47Å
227Q97.3Very high95.5Very high94 Ų9469.4 Ų69.444%0.43938%0.384SS..Hα-helixtrans-58.6-45.8178.7-176.861.737.100112.1A223 Q224 V229 E230 E231A223-Q227 PolarHBondContact O-N 3.38Å; Q224-Q227 PolarHBondContact O-N 3.49Å; Q227-V229 VanDerWaalsContact C-N 3.28Å; Q227-V229 PolarHBondContact O-N 2.93Å; Q227-E230 PolarHBondContact O-N 3.38Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 2.82Å; Q227-E231 WeakPolarHBondContact O-CG 3.47Å; Q227-E231 PolarHBondContact O-N 3.05Å
228L94.7Very high95.3Very high76 Ų7672.3 Ų72.340%0.39839%0.388SS..Hα-helixtrans-62-35.6177-71.7172.4000112.6Q224 Q225 S226 L232Q224-L228 WeakPolarHBondContact O-CG 3.38Å; Q224-L228 PolarHBondContact O-N 2.99Å; Q224-L228 VanDerWaalsContact O-N 3.1Å; Q225-L228 PolarHBondContact O-N 3.48Å; S226-L228 PolarHBondContact O-N 3.07Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 PolarHBondContact O-N 3.01Å; L228-L232 VanDerWaalsContact O-N 3.1Å
229V95.1Very high95.1Very high36 Ų3672.9 Ų72.922%0.21839%0.386CS..Hα-helixtrans-71.7-42.9176.4172.30000111.1Q225 S226 Q227 E231 L232 I233 W261Q225-V229 VanDerWaalsContact O-CG2 3.3Å; Q225-V229 WeakPolarHBondContact O-CG2 3.17Å; Q225-V229 PolarHBondContact O-N 3.09Å; Q225-V229 VanDerWaalsContact O-N 3.07Å; S226-V229 WeakPolarHBondContact O-CB 3.5Å; S226-V229 PolarHBondContact O-N 3.07Å; S226-V229 VanDerWaalsContact O-N 3.11Å; Q227-V229 VanDerWaalsContact C-N 3.28Å; Q227-V229 PolarHBondContact O-N 2.93Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.25Å; V229-L232 PolarHBondContact O-N 3.11Å; V229-I233 HydrophobicContact CG1-CD1 3.66Å; V229-I233 HydrophobicContact CG1-CG1 4.21Å; V229-I233 WeakPolarHBondContact O-CB 3.17Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 3.06Å; V229-W261 HydrophobicContact CG2-CD2 4.1Å; V229-W261 HydrophobicContact CG2-CE3 3.93Å; V229-W261 HydrophobicContact CG2-CH2 3.03Å; V229-W261 HydrophobicContact CG2-CZ2 3.18Å; V229-W261 HydrophobicContact CG2-CZ3 3.41Å; V229-W261 VanDerWaalsContact CG2-CZ3 3.41Å
230E96.3Very high94.8Very high99 Ų9974.9 Ų74.946%0.46339%0.388SS..Hα-helixtrans-61-41.4177.1-74.8168.8-147.800111.5S226 Q227 I233 S234S226-E230 WeakPolarHBondContact O-CG 3.26Å; S226-E230 PolarHBondContact O-N 3.44Å; S226-E230 PolarHBondContact OG-OE1 3.47Å; Q227-E230 PolarHBondContact O-N 3.38Å; E230-I233 PolarHBondContact O-N 3Å; E230-S234 WeakPolarHBondContact O-CB 3.27Å; E230-S234 PolarHBondContact O-N 2.82Å; E230-S234 PolarHBondContact O-OG 3.23Å
231E94.4Very high94.6Very high101 Ų10179 Ų7947%0.47240%0.399SS..Hα-helixtrans-63.1-44.8173.7-74.3170.2-165.700111.8Q227 V229 S234 D235Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 2.82Å; Q227-E231 WeakPolarHBondContact O-CG 3.47Å; Q227-E231 PolarHBondContact O-N 3.05Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.25Å; E231-S234 PolarHBondContact O-N 3.36Å; E231-D235 WeakPolarHBondContact O-CB 3.23Å; E231-D235 PolarHBondContact O-N 3.36Å
232L93.1Very high94.4Very high17 Ų1778.7 Ų78.79%0.08939%0.394CS..Hα-helixtrans-64.6-41.2177.4178.658.6000112.3L228 V229 L236 I254 W257 W261L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 PolarHBondContact O-N 3.01Å; L228-L232 VanDerWaalsContact O-N 3.1Å; V229-L232 PolarHBondContact O-N 3.11Å; L232-L236 HydrophobicContact CD1-CD1 4.32Å; L232-L236 HydrophobicContact CD1-CG 4.37Å; L232-L236 HydrophobicContact CG-CD1 4.31Å; L232-L236 WeakPolarHBondContact O-CB 3.43Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.49Å; L232-L236 PolarHBondContact O-N 2.8Å; L232-I254 HydrophobicContact CD1-CD1 3.39Å; L232-I254 HydrophobicContact CD1-CG1 3.9Å; L232-W257 HydrophobicContact CD1-CE3 4.08Å; L232-W257 HydrophobicContact CD2-CE3 4.13Å; L232-W257 HydrophobicContact CD2-CZ3 4.44Å; L232-W261 HydrophobicContact CD2-CB 4.39Å
233I94.5Very high94.1Very high81 Ų8177.8 Ų77.842%0.41539%0.394SS..Hα-helixtrans-61.9-48.4174.7-71.4169.2000109.6V229 E230 D235 L236 E237V229-I233 HydrophobicContact CG1-CD1 3.66Å; V229-I233 HydrophobicContact CG1-CG1 4.21Å; V229-I233 WeakPolarHBondContact O-CB 3.17Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 3.06Å; E230-I233 PolarHBondContact O-N 3Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.49Å; I233-L236 PolarHBondContact O-N 3.15Å; I233-E237 HydrophobicContact CG2-CG 4.28Å; I233-E237 WeakPolarHBondContact O-CG 3.41Å; I233-E237 PolarHBondContact O-N 3.36Å
234S95Very high93.8Very high67 Ų6781.2 Ų81.247%0.46940%0.404SS..Hα-helixtrans-60.8-41.6-179.4-58.10000112.1E230 E231 E237 L238E230-S234 WeakPolarHBondContact O-CB 3.27Å; E230-S234 PolarHBondContact O-N 2.82Å; E230-S234 PolarHBondContact O-OG 3.23Å; E231-S234 PolarHBondContact O-N 3.36Å; S234-E237 PolarHBondContact O-N 2.7Å; S234-L238 WeakPolarHBondContact O-CB 3.5Å; S234-L238 PolarHBondContact O-N 3.07Å
235D92.7Very high93.5Very high47 Ų4779.1 Ų79.125%0.25140%0.4SS..Hα-helixtrans-65.4-41176.7-170.561.8000111.7E231 I233 L238 R239 I254E231-D235 WeakPolarHBondContact O-CB 3.23Å; E231-D235 PolarHBondContact O-N 3.36Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.49Å; D235-L238 PolarHBondContact O-N 3.18Å; D235-R239 VanDerWaalsContact CG-NE 3.35Å; D235-R239 WeakPolarHBondContact O-CB 3.33Å; D235-R239 WeakPolarHBondContact O-CG 3.45Å; D235-R239 PolarHBondContact O-N 3.43Å; D235-R239 IonicContact OD1-CZ 4Å; D235-R239 IonicContact OD1-NE 3.36Å; D235-R239 PolarHBondContact OD1-NE 3.41Å; D235-R239 IonicContact OD1-NH2 2.88Å; D235-R239 IonicContact OD2-CZ 3.57Å; D235-R239 IonicContact OD2-NE 2.77Å; D235-R239 PolarHBondContact OD2-NE 3.12Å; D235-R239 IonicContact OD2-NH2 3.93Å; D235-I254 VanDerWaalsContact OD2-CD1 3.24Å; D235-I254 WeakPolarHBondContact OD2-CD1 3.28Å; D235-I254 WeakPolarHBondContact OD2-CG1 3.41Å
236L92Very high93.1Very high49 Ų4983 Ų8326%0.25742%0.419SS..Hα-helixtrans-66.9-39.4175.4-71.2173.2000112.6L232 I233 R240 M251 I254L232-L236 HydrophobicContact CD1-CD1 4.32Å; L232-L236 HydrophobicContact CD1-CG 4.37Å; L232-L236 HydrophobicContact CG-CD1 4.31Å; L232-L236 WeakPolarHBondContact O-CB 3.43Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.49Å; L232-L236 PolarHBondContact O-N 2.8Å; I233-L236 PolarHBondContact O-N 3.15Å; L236-R240 PolarHBondContact O-N 2.81Å; L236-M251 HydrophobicContact CD2-CE 3.97Å; L236-I254 HydrophobicContact CD2-CG1 3.9Å; L236-I254 HydrophobicContact CD2-CG2 4.19Å; L236-I254 HydrophobicContact CG-CG1 4.42Å
237E94Very high92.7Very high110 Ų11083 Ų8351%0.51441%0.414SS..Hα-helixtrans-64.9-42.4175.1-74.6-177.8156.200111.6I233 S234 R240I233-E237 HydrophobicContact CG2-CG 4.28Å; I233-E237 WeakPolarHBondContact O-CG 3.41Å; I233-E237 PolarHBondContact O-N 3.36Å; S234-E237 PolarHBondContact O-N 2.7Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.28Å
238L92.4Very high92.1Very high105 Ų10585.8 Ų85.855%0.5543%0.431SS..Hα-helixtrans-62.4-47.1175.717963.9000111.6S234 D235 R240 E241S234-L238 WeakPolarHBondContact O-CB 3.5Å; S234-L238 PolarHBondContact O-N 3.07Å; D235-L238 PolarHBondContact O-N 3.18Å; L238-R240 PolarHBondContact O-N 3.45Å; L238-E241 PolarHBondContact O-N 3.24Å; L238-E241 VanDerWaalsContact O-N 3.12Å
239R91.2Very high91.9Very high31 Ų3189.3 Ų89.312%0.11745%0.446CS..Hα-helixtrans-65.9-25.2179.6-71.6171.2-174-90-0.7113.2D235 E241 W242 D250D235-R239 VanDerWaalsContact CG-NE 3.35Å; D235-R239 WeakPolarHBondContact O-CB 3.33Å; D235-R239 WeakPolarHBondContact O-CG 3.45Å; D235-R239 PolarHBondContact O-N 3.43Å; D235-R239 IonicContact OD1-CZ 4Å; D235-R239 IonicContact OD1-NE 3.36Å; D235-R239 PolarHBondContact OD1-NE 3.41Å; D235-R239 IonicContact OD1-NH2 2.88Å; D235-R239 IonicContact OD2-CZ 3.57Å; D235-R239 IonicContact OD2-NE 2.77Å; D235-R239 PolarHBondContact OD2-NE 3.12Å; D235-R239 IonicContact OD2-NH2 3.93Å; R239-E241 PolarHBondContact O-N 3.31Å; R239-W242 HydrophobicContact CB-CD2 4.2Å; R239-W242 HydrophobicContact CB-CE3 4.38Å; R239-W242 HydrophobicContact CG-CD2 3.93Å; R239-W242 HydrophobicContact CG-CE3 3.99Å; R239-W242 HydrophobicContact CG-CH2 3.74Å; R239-W242 HydrophobicContact CG-CZ2 3.63Å; R239-W242 HydrophobicContact CG-CZ3 3.9Å; R239-W242 WeakPolarHBondContact O-CB 3.4Å; R239-W242 PolarHBondContact O-N 3.2Å; R239-D250 IonicContact CZ-OD2 3.43Å; R239-D250 PolarHBondContact NH1-O 3.21Å; R239-D250 IonicContact NH1-OD2 2.71Å; R239-D250 PolarHBondContact NH1-OD2 3.46Å; R239-D250 IonicContact NH2-OD2 3.59Å; R239-D250 PolarHBondContact NH2-OD2 3.48Å
240R89.2Confident91.4Very high178 Ų17891.7 Ų91.767%0.67246%0.457SS*.Hα-helixtrans-60.8-28.8173.4-167-173.472.8-159.9-1112.3L236 E237 L238L236-R240 PolarHBondContact O-N 2.81Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.28Å; L238-R240 PolarHBondContact O-N 3.45Å
241E92.9Very high90.9Very high134 Ų13488.9 Ų88.963%0.62644%0.444SS*.THydrogen-bonded Turntrans-93.53.4-178.6-52.9-60.5142.300113.1L238 R239L238-E241 PolarHBondContact O-N 3.24Å; L238-E241 VanDerWaalsContact O-N 3.12Å; R239-E241 PolarHBondContact O-N 3.31Å
242W91.5Very high90.4Very high77 Ų7788.9 Ų88.929%0.29246%0.455SS..SBendtrans-73.5162.4178.6-71.65.4000112.8R239 E246 D250R239-W242 HydrophobicContact CB-CD2 4.2Å; R239-W242 HydrophobicContact CB-CE3 4.38Å; R239-W242 HydrophobicContact CG-CD2 3.93Å; R239-W242 HydrophobicContact CG-CE3 3.99Å; R239-W242 HydrophobicContact CG-CH2 3.74Å; R239-W242 HydrophobicContact CG-CZ2 3.63Å; R239-W242 HydrophobicContact CG-CZ3 3.9Å; R239-W242 WeakPolarHBondContact O-CB 3.4Å; R239-W242 PolarHBondContact O-N 3.2Å; W242-E246 HydrophobicContact CB-CB 4.28Å; W242-E246 HydrophobicContact CD2-CB 4.44Å; W242-E246 HydrophobicContact CE3-CB 3.98Å; W242-D250 HydrophobicContact CZ3-CB 4.17Å
243S92.5Very high90.1Very high58 Ų5890.3 Ų90.341%0.40647%0.474SS..  trans-68.9151.9170.869.20000111.5T245 E246 L247S243-T245 PolarHBondContact O-N 2.79Å; S243-E246 WeakPolarHBondContact CB-OE2 3.49Å; S243-E246 PolarHBondContact N-OE2 3.15Å; S243-E246 VanDerWaalsContact N-OE2 3.12Å; S243-E246 PolarHBondContact O-N 2.73Å; S243-E246 VanDerWaalsContact O-N 3.09Å; S243-E246 WeakPolarHBondContact OG-CG 3.22Å; S243-E246 PolarHBondContact OG-OE2 3.13Å; S243-L247 PolarHBondContact O-N 3.2Å
244D90.7Very high89.8Confident133 Ų13387.7 Ų87.771%0.71146%0.461SS*.Hα-helixtrans-51.4-35.2180-67.2-14.1000113L248D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 VanDerWaalsContact O-CG 3.26Å; D244-L248 WeakPolarHBondContact O-CG 3.38Å; D244-L248 PolarHBondContact O-N 2.85Å; D244-L248 VanDerWaalsContact O-N 3.13Å
245T90.8Very high89.5Confident92 Ų9287.8 Ų87.856%0.56446%0.456SS*.Hα-helixtrans-71.6-46-178.7-54.80000111.6S243 L248 Q249S243-T245 PolarHBondContact O-N 2.79Å; T245-L248 PolarHBondContact O-N 3.02Å; T245-Q249 WeakPolarHBondContact O-CG 3.2Å; T245-Q249 PolarHBondContact O-N 3.21Å
246E87.8Confident89.4Confident102 Ų10292 Ų9248%0.47747%0.472SS..Hα-helixtrans-65.3-42.3178.5-69.1163.3143.800111W242 S243 L248 Q249 D250W242-E246 HydrophobicContact CB-CB 4.28Å; W242-E246 HydrophobicContact CD2-CB 4.44Å; W242-E246 HydrophobicContact CE3-CB 3.98Å; S243-E246 WeakPolarHBondContact CB-OE2 3.49Å; S243-E246 PolarHBondContact N-OE2 3.15Å; S243-E246 VanDerWaalsContact N-OE2 3.12Å; S243-E246 PolarHBondContact O-N 2.73Å; S243-E246 VanDerWaalsContact O-N 3.09Å; S243-E246 WeakPolarHBondContact OG-CG 3.22Å; S243-E246 PolarHBondContact OG-OE2 3.13Å; E246-L248 PolarHBondContact O-N 3.49Å; E246-Q249 PolarHBondContact O-N 2.98Å; E246-D250 PolarHBondContact O-N 2.98Å
247L87.6Confident89.2Confident55 Ų5596.2 Ų96.229%0.28849%0.485SS..Hα-helixtrans-58.7-49.4176.9-174.168.1000110.9S243 Q249 D250 M251S243-L247 PolarHBondContact O-N 3.2Å; L247-Q249 PolarHBondContact O-N 3.01Å; L247-D250 PolarHBondContact O-N 2.98Å; L247-M251 HydrophobicContact CD1-CB 4.18Å; L247-M251 HydrophobicContact CD1-CE 4.45Å; L247-M251 HydrophobicContact CD1-CG 4.03Å; L247-M251 HydrophobicContact CD1-SD 3.62Å; L247-M251 WeakPolarHBondContact O-CB 3.31Å; L247-M251 PolarHBondContact O-N 3.25Å; L247-M251 VanDerWaalsContact O-N 3.12Å
248L86.4Confident89Confident154 Ų15492.8 Ų92.881%0.80647%0.473SS*.Hα-helixtrans-65.9-25.4-179.4-72174.2000113.6D244 T245 E246D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 VanDerWaalsContact O-CG 3.26Å; D244-L248 WeakPolarHBondContact O-CG 3.38Å; D244-L248 PolarHBondContact O-N 2.85Å; D244-L248 VanDerWaalsContact O-N 3.13Å; T245-L248 PolarHBondContact O-N 3.02Å; E246-L248 PolarHBondContact O-N 3.49Å
249Q88.8Confident89Confident150 Ų15095 Ų9570%0.70148%0.48SS*.Hα-helixtrans-79-34.9-179.8-74.9178.1-2.200113.6T245 E246 L247T245-Q249 WeakPolarHBondContact O-CG 3.2Å; T245-Q249 PolarHBondContact O-N 3.21Å; E246-Q249 PolarHBondContact O-N 2.98Å; L247-Q249 PolarHBondContact O-N 3.01Å
250D85.3Confident89Confident85 Ų8598.8 Ų98.846%0.45550%0.501SS..Hα-helixtrans-125.76.7-168.6-164.639.5000115.4R239 W242 E246 L247 S252R239-D250 IonicContact CZ-OD2 3.43Å; R239-D250 PolarHBondContact NH1-O 3.21Å; R239-D250 IonicContact NH1-OD2 2.71Å; R239-D250 PolarHBondContact NH1-OD2 3.46Å; R239-D250 IonicContact NH2-OD2 3.59Å; R239-D250 PolarHBondContact NH2-OD2 3.48Å; W242-D250 HydrophobicContact CZ3-CB 4.17Å; E246-D250 PolarHBondContact O-N 2.98Å; L247-D250 PolarHBondContact O-N 2.98Å; D250-S252 PolarHBondContact O-N 2.91Å
251M85.3Confident89.2Confident40 Ų4093.6 Ų93.620%0.19748%0.482CS..Hα-helixtrans-77.6-21.3-175.6-166.764177.600115L236 L247 G253 I254 L255L236-M251 HydrophobicContact CD2-CE 3.97Å; L247-M251 HydrophobicContact CD1-CB 4.18Å; L247-M251 HydrophobicContact CD1-CE 4.45Å; L247-M251 HydrophobicContact CD1-CG 4.03Å; L247-M251 HydrophobicContact CD1-SD 3.62Å; L247-M251 WeakPolarHBondContact O-CB 3.31Å; L247-M251 PolarHBondContact O-N 3.25Å; L247-M251 VanDerWaalsContact O-N 3.12Å; M251-G253 PolarHBondContact O-N 3.17Å; M251-I254 HydrophobicContact CE-CG2 4.3Å; M251-I254 WeakPolarHBondContact O-CG2 3.45Å; M251-I254 HydrophobicContact SD-CG2 3.66Å; M251-L255 HydrophobicContact CB-CD1 4.49Å; M251-L255 HydrophobicContact CE-CD1 4.02Å; M251-L255 HydrophobicContact CE-CD2 3.47Å; M251-L255 VanDerWaalsContact CE-CD2 3.47Å; M251-L255 HydrophobicContact CE-CG 3.48Å; M251-L255 VanDerWaalsContact CE-CG 3.48Å; M251-L255 HydrophobicContact CG-CD1 3.41Å; M251-L255 VanDerWaalsContact CG-CD1 3.41Å; M251-L255 HydrophobicContact CG-CG 3.63Å; M251-L255 WeakPolarHBondContact O-CB 3.43Å; M251-L255 PolarHBondContact O-N 3.29Å; M251-L255 VanDerWaalsContact O-N 3.13Å; M251-L255 HydrophobicContact SD-CD1 4.47Å; M251-L255 HydrophobicContact SD-CG 4.12Å
252S85.1Confident89.2Confident101 Ų10191.9 Ų91.971%0.70648%0.481SS*.Hα-helixtrans-62.8-40.2-168.867.20000114.2D250 K256D250-S252 PolarHBondContact O-N 2.91Å; S252-K256 WeakPolarHBondContact O-CB 3.22Å; S252-K256 PolarHBondContact O-N 3.19Å
253G87.4Confident89.3Confident47 Ų4793.8 Ų93.849%0.48550%0.496SS..Hα-helixtrans-69.7-49.3-178.200000112.5M251 K256 W257M251-G253 PolarHBondContact O-N 3.17Å; G253-K256 PolarHBondContact O-N 2.96Å; G253-W257 PolarHBondContact O-N 3.44Å
254I87Confident89.3Confident26 Ų2698 Ų9813%0.13351%0.507CS..Hα-helixtrans-69.6-39.2-176.1-163.869.9000112.2L232 D235 L236 M251 K256 W257 S258L232-I254 HydrophobicContact CD1-CD1 3.39Å; L232-I254 HydrophobicContact CD1-CG1 3.9Å; D235-I254 VanDerWaalsContact OD2-CD1 3.24Å; D235-I254 WeakPolarHBondContact OD2-CD1 3.28Å; D235-I254 WeakPolarHBondContact OD2-CG1 3.41Å; L236-I254 HydrophobicContact CD2-CG1 3.9Å; L236-I254 HydrophobicContact CD2-CG2 4.19Å; L236-I254 HydrophobicContact CG-CG1 4.42Å; M251-I254 HydrophobicContact CE-CG2 4.3Å; M251-I254 WeakPolarHBondContact O-CG2 3.45Å; M251-I254 HydrophobicContact SD-CG2 3.66Å; I254-K256 VanDerWaalsContact C-N 3.33Å; I254-K256 PolarHBondContact O-N 3.28Å; I254-W257 PolarHBondContact O-N 3.47Å; I254-S258 WeakPolarHBondContact O-CB 3.46Å; I254-S258 PolarHBondContact O-N 3.43Å; I254-S258 PolarHBondContact O-OG 3.38Å
255L88.3Confident89.4Confident70 Ų70100.6 Ų100.637%0.36651%0.512SS..Hα-helixtrans-61.8-42.1174.3-82.6178000111.8M251 W257 S258 Q259M251-L255 HydrophobicContact CB-CD1 4.49Å; M251-L255 HydrophobicContact CE-CD1 4.02Å; M251-L255 HydrophobicContact CE-CD2 3.47Å; M251-L255 VanDerWaalsContact CE-CD2 3.47Å; M251-L255 HydrophobicContact CE-CG 3.48Å; M251-L255 VanDerWaalsContact CE-CG 3.48Å; M251-L255 HydrophobicContact CG-CD1 3.41Å; M251-L255 VanDerWaalsContact CG-CD1 3.41Å; M251-L255 HydrophobicContact CG-CG 3.63Å; M251-L255 WeakPolarHBondContact O-CB 3.43Å; M251-L255 PolarHBondContact O-N 3.29Å; M251-L255 VanDerWaalsContact O-N 3.13Å; M251-L255 HydrophobicContact SD-CD1 4.47Å; M251-L255 HydrophobicContact SD-CG 4.12Å; L255-W257 VanDerWaalsContact C-N 3.31Å; L255-W257 PolarHBondContact O-N 2.99Å; L255-S258 WeakPolarHBondContact CA-OG 3.33Å; L255-S258 PolarHBondContact O-N 2.73Å; L255-S258 PolarHBondContact O-OG 2.81Å; L255-Q259 WeakPolarHBondContact O-CB 3.46Å; L255-Q259 WeakPolarHBondContact O-CG 3.5Å; L255-Q259 PolarHBondContact O-N 3.02Å
256K91Very high89.5Confident136 Ų13697.2 Ų97.259%0.59149%0.491SS*.Hα-helixtrans-63.8-42176.6-176.1177.5-180-178.30110.7S252 G253 I254 Q259 I260S252-K256 WeakPolarHBondContact O-CB 3.22Å; S252-K256 PolarHBondContact O-N 3.19Å; G253-K256 PolarHBondContact O-N 2.96Å; I254-K256 VanDerWaalsContact C-N 3.33Å; I254-K256 PolarHBondContact O-N 3.28Å; K256-Q259 PolarHBondContact O-N 2.74Å; K256-I260 HydrophobicContact CD-CD1 4.48Å; K256-I260 HydrophobicContact CG-CD1 3.72Å; K256-I260 WeakPolarHBondContact O-CB 3.23Å; K256-I260 WeakPolarHBondContact O-CD1 3.31Å; K256-I260 WeakPolarHBondContact O-CG1 3.44Å; K256-I260 PolarHBondContact O-N 3.49Å; K256-I260 VanDerWaalsContact O-N 3.13Å
257W88.7Confident89.5Confident137 Ų137101.8 Ų101.852%0.51951%0.51SS..Hα-helixtrans-65.2-43178.6-144.864.6000111.7L232 G253 I254 L255 Q259 I260 W261L232-W257 HydrophobicContact CD1-CE3 4.08Å; L232-W257 HydrophobicContact CD2-CE3 4.13Å; L232-W257 HydrophobicContact CD2-CZ3 4.44Å; G253-W257 PolarHBondContact O-N 3.44Å; I254-W257 PolarHBondContact O-N 3.47Å; L255-W257 VanDerWaalsContact C-N 3.31Å; L255-W257 PolarHBondContact O-N 2.99Å; W257-Q259 PolarHBondContact O-N 2.94Å; W257-I260 PolarHBondContact O-N 2.79Å; W257-W261 WeakPolarHBondContact O-CB 3.41Å; W257-W261 PolarHBondContact O-N 3.43Å
258S89.8Confident89.4Confident38 Ų38103.8 Ų103.827%0.26654%0.535SS..Hα-helixtrans-67.2-32.4177.469.70000113.7I254 L255I254-S258 WeakPolarHBondContact O-CB 3.46Å; I254-S258 PolarHBondContact O-N 3.43Å; I254-S258 PolarHBondContact O-OG 3.38Å; L255-S258 WeakPolarHBondContact CA-OG 3.33Å; L255-S258 PolarHBondContact O-N 2.73Å; L255-S258 PolarHBondContact O-OG 2.81Å
259Q91.4Very high89.4Confident152 Ų15298.3 Ų98.371%0.7151%0.507SS*.Hα-helixtrans-71.6-30.9173.7-73.5170.97.800113.1L255 K256 W257L255-Q259 WeakPolarHBondContact O-CB 3.46Å; L255-Q259 WeakPolarHBondContact O-CG 3.5Å; L255-Q259 PolarHBondContact O-N 3.02Å; K256-Q259 PolarHBondContact O-N 2.74Å; W257-Q259 PolarHBondContact O-N 2.94Å
260I92.6Very high89.1Confident109 Ų10995.1 Ų95.156%0.55950%0.501SS*.Hα-helixtrans-87.2-34.1-177.7-67.8168.6000111.5K256 W257 T262K256-I260 HydrophobicContact CD-CD1 4.48Å; K256-I260 HydrophobicContact CG-CD1 3.72Å; K256-I260 WeakPolarHBondContact O-CB 3.23Å; K256-I260 WeakPolarHBondContact O-CD1 3.31Å; K256-I260 WeakPolarHBondContact O-CG1 3.44Å; K256-I260 PolarHBondContact O-N 3.49Å; K256-I260 VanDerWaalsContact O-N 3.13Å; W257-I260 PolarHBondContact O-N 2.79Å; I260-T262 PolarHBondContact O-N 3.11Å
261W92.1Very high88.9Confident70 Ų70101.4 Ų101.427%0.26553%0.525SS..  trans-62.2130.3-173.6-169.1100000111.1Q225 V229 L232 W257 L263Q225-W261 HydrophobicContact CB-CZ2 4.4Å; V229-W261 HydrophobicContact CG2-CD2 4.1Å; V229-W261 HydrophobicContact CG2-CE3 3.93Å; V229-W261 HydrophobicContact CG2-CH2 3.03Å; V229-W261 HydrophobicContact CG2-CZ2 3.18Å; V229-W261 HydrophobicContact CG2-CZ3 3.41Å; V229-W261 VanDerWaalsContact CG2-CZ3 3.41Å; L232-W261 HydrophobicContact CD2-CB 4.39Å; W257-W261 WeakPolarHBondContact O-CB 3.41Å; W257-W261 PolarHBondContact O-N 3.43Å; W261-L263 HydrophobicContact CH2-CB 3.97Å; W261-L263 HydrophobicContact CH2-CD1 4.25Å; W261-L263 HydrophobicContact CZ3-CB 4.23Å
262T93Very high89Confident97 Ų97107.8 Ų107.860%0.59555%0.551SS**  trans-142.9141.917845.70000110.1I260 K264I260-T262 PolarHBondContact O-N 3.11Å; T262-K264 PolarHBondContact O-N 3.31Å
263L93.9Very high89Confident117 Ų117106.8 Ų106.861%0.61354%0.538SS*.PPolyproline II helixtrans-62.4124.2178.2179.169.5000110.4L222 Q225 W261L222-L263 HydrophobicContact CD2-CD1 4.19Å; Q225-L263 HydrophobicContact CB-CD1 4.37Å; W261-L263 HydrophobicContact CH2-CB 3.97Å; W261-L263 HydrophobicContact CH2-CD1 4.25Å; W261-L263 HydrophobicContact CZ3-CB 4.23Å
264K93.1Very high88.9Confident146 Ų146108.9 Ų108.964%0.63555%0.545SS*.PPolyproline II helixtrans-92116.7172.8-65.2-178.8-177173.80109.2Q225 T262 P266Q225-K264 PolarHBondContact NE2-O 3.35Å; Q225-K264 PolarHBondContact OE1-O 3.26Å; T262-K264 PolarHBondContact O-N 3.31Å; K264-P266 WeakPolarHBondContact O-CD 3.37Å
265K92.8Very high88.7Confident189 Ų189113.4 Ų113.482%0.82257%0.567SS**PPolyproline II helixtrans-68.9125.9175.1-173.5177.4179.7176.10109.9
266P91.2Very high88.8Confident20 Ų20115.4 Ų115.413%0.1358%0.582CS.*PPolyproline II helixtrans-59.2158.5173.7-23.532.3000112.3A218 L222 K264 A268A218-P266 HydrophobicContact CB-CB 3.68Å; A218-P266 HydrophobicContact CB-CG 4.22Å; L222-P266 HydrophobicContact CD1-CG 3.96Å; L222-P266 HydrophobicContact CD2-CG 3.85Å; L222-P266 HydrophobicContact CG-CG 3.59Å; K264-P266 WeakPolarHBondContact O-CD 3.37Å; P266-A268 PolarHBondContact O-N 3.45Å
267K89Confident88.8Confident198 Ų198114.5 Ų114.586%0.86158%0.578SS**PPolyproline II helixtrans-59.6135.4176.8-68.9179.7-178.61740110.4V269K267-V269 PolarHBondContact O-N 3.03Å
268A86.1Confident88.9Confident98 Ų98116 Ų11681%0.8159%0.591SS**PPolyproline II helixtrans-69.8126.8177.500000110.4P266P266-A268 PolarHBondContact O-N 3.45Å
269V84.7Confident89Confident38 Ų38118 Ų11823%0.2361%0.609CS.*PPolyproline II helixtrans-85.3137.6169.7-170.90000108.8I211 S214 L215 K267 K271I211-V269 HydrophobicContact CG1-CG1 4.5Å; I211-V269 HydrophobicContact CG2-CG1 4.08Å; S214-V269 VanDerWaalsContact OG-CG2 3.24Å; S214-V269 WeakPolarHBondContact OG-CG2 3.21Å; L215-V269 HydrophobicContact CD2-CB 4.2Å; L215-V269 HydrophobicContact CD2-CG2 3.93Å; L215-V269 HydrophobicContact CG-CG2 4.39Å; K267-V269 PolarHBondContact O-N 3.03Å; V269-K271 PolarHBondContact O-N 3.17Å
270S82.9Confident89Confident83 Ų83114.2 Ų114.258%0.5860%0.598SS**PPolyproline II helixtrans-59.5125.8173.4178.70000109.7K272S270-K272 VanDerWaalsContact C-N 3.26Å; S270-K272 PolarHBondContact O-N 3.24Å; S270-K272 PolarHBondContact OG-N 2.71Å; S270-K272 PolarHBondContact OG-O 2.84Å
271K82Confident89.1Confident218 Ų218114 Ų11495%0.94860%0.598SS**  trans-83.8-0.3177.2-61.8-174.9179.4-174.60113.4V269V269-K271 PolarHBondContact O-N 3.17Å
272K86.8Confident89.1Confident173 Ų173114.4 Ų114.475%0.75261%0.605SS**SBendtrans-114.9133.2-174-154.8178.4-174.6-177.90109.3S270S270-K272 VanDerWaalsContact C-N 3.26Å; S270-K272 PolarHBondContact O-N 3.24Å; S270-K272 PolarHBondContact OG-N 2.71Å; S270-K272 PolarHBondContact OG-O 2.84Å
273L86.2Confident89Confident81 Ų81114 Ų11442%0.42461%0.606SS.*  trans-56.1137.5170.6-67.1173.1000109.8L204 E207 M275L204-L273 HydrophobicContact CD1-CD1 4.23Å; L204-L273 HydrophobicContact CD1-CD2 3.94Å; E207-L273 HydrophobicContact CG-CD2 4.33Å; L273-M275 VanDerWaalsContact C-N 3.33Å
274S84.2Confident89Confident90 Ų90109.1 Ų109.163%0.62958%0.584SS**SBendtrans-63.4-39.1178.362.20000111.6E207E207-S274 WeakPolarHBondContact OE1-CA 3.4Å; E207-S274 WeakPolarHBondContact OE1-CB 3.46Å; E207-S274 PolarHBondContact OE1-N 3.49Å; E207-S274 PolarHBondContact OE1-OG 2.93Å; E207-S274 PolarHBondContact OE2-OG 3.41Å
275M83.9Confident88.9Confident122 Ų122106.7 Ų106.760%0.60158%0.576SS**  trans-143.6136.7176.8-62.5-170.580.100111.5L273L273-M275 VanDerWaalsContact C-N 3.33Å
276V88.6Confident88.9Confident112 Ų112102 Ų10268%0.67956%0.56SS**  trans-102.6129.3173.6-177.80000108.3Q278V276-Q278 PolarHBondContact O-N 3.29Å
277F91.9Very high89Confident116 Ų116106.4 Ų106.451%0.50958%0.578SS.*  trans-61.3135.2176.7173.2-110.2000111.2E200 A279E200-F277 HydrophobicContact CB-CD2 4.39Å; E200-F277 HydrophobicContact CG-CD2 3.67Å; E200-F277 HydrophobicContact CG-CE2 3.83Å; E200-F277 VanDerWaalsContact OE2-CD2 3.23Å; E200-F277 WeakPolarHBondContact OE2-CD2 3.07Å; F277-A279 HydrophobicContact CE1-CB 4Å; F277-A279 HydrophobicContact CZ-CB 4.25Å
278Q91.6Very high89.1Confident170 Ų170103.7 Ų103.779%0.79457%0.567SS**  trans-120.2118.5172.1-66.5-177.6-0.200108.9V276V276-Q278 PolarHBondContact O-N 3.29Å
279A91.7Very high89.1Confident78 Ų78105.4 Ų105.465%0.64556%0.556SS**  trans-66.8126.1176.700000110F277F277-A279 HydrophobicContact CE1-CB 4Å; F277-A279 HydrophobicContact CZ-CB 4.25Å
280P90.6Very high89.2Confident73 Ų73112.5 Ų112.547%0.47458%0.578SS.*  trans-67.2146.4174.827.3-33.1000110.8L282 M285P280-L282 HydrophobicContact CG-CD2 4.36Å; P280-L282 HydrophobicContact CG-CG 4.36Å; P280-L282 PolarHBondContact O-N 2.9Å; P280-M285 HydrophobicContact CB-CE 3.99Å
281D93.8Very high89.5Confident104 Ų104113.4 Ų113.456%0.55657%0.574SS**  trans-73.379172.6177.820000111S283 G284 M285D281-S283 PolarHBondContact O-N 3.28Å; D281-S283 WeakPolarHBondContact OD1-CB 3.42Å; D281-S283 PolarHBondContact OD1-N 2.98Å; D281-G284 VanDerWaalsContact CG-N 3.35Å; D281-G284 PolarHBondContact O-N 3.49Å; D281-G284 PolarHBondContact OD1-N 3.29Å; D281-G284 WeakPolarHBondContact OD2-CA 3Å; D281-G284 PolarHBondContact OD2-N 3.41Å; D281-M285 VanDerWaalsContact O-CG 3.28Å; D281-M285 WeakPolarHBondContact O-CG 3.36Å; D281-M285 PolarHBondContact O-N 2.85Å
282L92.2Very high89.6Confident79 Ų79107.9 Ų107.941%0.41455%0.554SS.*Hα-helixtrans-62.2-29.6176.8-68.3177000112L193 P280 M285 L286L193-L282 HydrophobicContact CD2-CD1 3.83Å; P280-L282 HydrophobicContact CG-CD2 4.36Å; P280-L282 HydrophobicContact CG-CG 4.36Å; P280-L282 PolarHBondContact O-N 2.9Å; L282-M285 HydrophobicContact CD2-SD 4.38Å; L282-L286 VanDerWaalsContact O-CB 3.3Å; L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 2.94Å
283S92.5Very high89.5Confident89 Ų89103.8 Ų103.862%0.62254%0.543SS*.Hα-helixtrans-65.7-52.2178.8-176.10000110.8D281 M285 L286 Q287D281-S283 PolarHBondContact O-N 3.28Å; D281-S283 WeakPolarHBondContact OD1-CB 3.42Å; D281-S283 PolarHBondContact OD1-N 2.98Å; S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 3.28Å; S283-L286 PolarHBondContact O-N 3.45Å; S283-Q287 PolarHBondContact O-N 3.33Å
284G93Very high89.3Confident14 Ų14102.9 Ų102.914%0.14455%0.548CS..Hα-helixtrans-63-37.8176.700000112.8D281 Q287 K288D281-G284 VanDerWaalsContact CG-N 3.35Å; D281-G284 PolarHBondContact O-N 3.49Å; D281-G284 PolarHBondContact OD1-N 3.29Å; D281-G284 WeakPolarHBondContact OD2-CA 3Å; D281-G284 PolarHBondContact OD2-N 3.41Å; G284-Q287 PolarHBondContact O-N 3.44Å; G284-K288 WeakPolarHBondContact O-CG 3.38Å; G284-K288 PolarHBondContact O-N 2.96Å; G284-K288 VanDerWaalsContact O-N 3.14Å
285M92.1Very high89.2Confident95 Ų95102.2 Ų102.247%0.46854%0.54SS..Hα-helixtrans-61.4-49.5173.2-70178.9-169.500111.5P280 D281 L282 S283 Q287 K288 F289P280-M285 HydrophobicContact CB-CE 3.99Å; D281-M285 VanDerWaalsContact O-CG 3.28Å; D281-M285 WeakPolarHBondContact O-CG 3.36Å; D281-M285 PolarHBondContact O-N 2.85Å; L282-M285 HydrophobicContact CD2-SD 4.38Å; S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 3.28Å; M285-Q287 VanDerWaalsContact C-N 3.29Å; M285-Q287 PolarHBondContact O-N 3.32Å; M285-K288 PolarHBondContact O-N 3.39Å; M285-F289 WeakPolarHBondContact O-CD2 3.37Å; M285-F289 PolarHBondContact O-N 3.45Å
286L91.5Very high89.1Confident92 Ų92105.7 Ų105.748%0.48255%0.546SS..Hα-helixtrans-62.9-36179.2-73.8170.9000112.3L282 S283 F289 R290L282-L286 VanDerWaalsContact O-CB 3.3Å; L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 2.94Å; S283-L286 PolarHBondContact O-N 3.45Å; L286-F289 PolarHBondContact O-N 2.82Å; L286-R290 WeakPolarHBondContact O-CG 3.5Å; L286-R290 PolarHBondContact O-N 3.26Å
287Q93.9Very high88.7Confident111 Ų111102.9 Ų102.952%0.51953%0.534SS..Hα-helixtrans-59.7-51.1173.6179.8177.6-7.600111.3S283 G284 M285 F289 R290 E291S283-Q287 PolarHBondContact O-N 3.33Å; G284-Q287 PolarHBondContact O-N 3.44Å; M285-Q287 VanDerWaalsContact C-N 3.29Å; M285-Q287 PolarHBondContact O-N 3.32Å; Q287-F289 VanDerWaalsContact C-N 3.28Å; Q287-F289 PolarHBondContact O-N 2.88Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.41Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.4Å; Q287-E291 PolarHBondContact NE2-OE1 2.65Å; Q287-E291 PolarHBondContact O-N 3.46Å
288K90.2Very high88.1Confident142 Ų142103.9 Ų103.962%0.61754%0.536SS*.Hα-helixtrans-58.2-40.1177.2-70.3176.4-179.3177.80112.1G284 M285 R290 E291 L292G284-K288 WeakPolarHBondContact O-CG 3.38Å; G284-K288 PolarHBondContact O-N 2.96Å; G284-K288 VanDerWaalsContact O-N 3.14Å; M285-K288 PolarHBondContact O-N 3.39Å; K288-R290 VanDerWaalsContact C-N 3.34Å; K288-R290 PolarHBondContact O-N 2.77Å; K288-E291 PolarHBondContact O-N 3.48Å; K288-L292 WeakPolarHBondContact O-CG 3.39Å; K288-L292 PolarHBondContact O-N 3.41Å
289F87.3Confident87.5Confident134 Ų134101.8 Ų101.859%0.58852%0.521SS*.Hα-helixtrans-62.8-37.8175.4-83.5-68.7000113M285 L286 Q287 T293M285-F289 WeakPolarHBondContact O-CD2 3.37Å; M285-F289 PolarHBondContact O-N 3.45Å; L286-F289 PolarHBondContact O-N 2.82Å; Q287-F289 VanDerWaalsContact C-N 3.28Å; Q287-F289 PolarHBondContact O-N 2.88Å; F289-T293 WeakPolarHBondContact O-CB 3.24Å; F289-T293 PolarHBondContact O-N 2.91Å; F289-T293 PolarHBondContact O-OG1 2.93Å
290R87.1Confident86.7Confident186 Ų186100 Ų10070%0.70251%0.509SS*.Hα-helixtrans-65.7-44.3175.5-70.6174.2-170.7174.24.5111.5L286 Q287 K288 T293 A294L286-R290 WeakPolarHBondContact O-CG 3.5Å; L286-R290 PolarHBondContact O-N 3.26Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.41Å; K288-R290 VanDerWaalsContact C-N 3.34Å; K288-R290 PolarHBondContact O-N 2.77Å; R290-T293 PolarHBondContact O-N 3.35Å; R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 3.4Å
291E87.7Confident86Confident102 Ų102104 Ų10448%0.47752%0.519SS..Hα-helixtrans-60-47.9177.9-69.7169.2-170.700111.3Q287 K288 T293 A294 V295Q287-E291 WeakPolarHBondContact CG-OE1 3.4Å; Q287-E291 PolarHBondContact NE2-OE1 2.65Å; Q287-E291 PolarHBondContact O-N 3.46Å; K288-E291 PolarHBondContact O-N 3.48Å; E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 2.9Å; E291-A294 WeakPolarHBondContact O-CB 3.3Å; E291-A294 PolarHBondContact O-N 3.41Å; E291-V295 WeakPolarHBondContact O-CG2 3.49Å; E291-V295 PolarHBondContact O-N 3.24Å
292L85.5Confident85.2Confident102 Ų102103.1 Ų103.153%0.53451%0.51SS..Hα-helixtrans-61.9-38.8176.1-71.3173.3000112.5K288 V295 R296K288-L292 WeakPolarHBondContact O-CG 3.39Å; K288-L292 PolarHBondContact O-N 3.41Å; L292-V295 PolarHBondContact O-N 2.87Å; L292-R296 WeakPolarHBondContact O-CG 3.45Å; L292-R296 PolarHBondContact O-N 2.88Å
293T83.9Confident84.2Confident87 Ų87100.6 Ų100.653%0.53450%0.497SS..Hα-helixtrans-67.4-39.9177.9-57.30000111.3F289 R290 E291 R296 A297F289-T293 WeakPolarHBondContact O-CB 3.24Å; F289-T293 PolarHBondContact O-N 2.91Å; F289-T293 PolarHBondContact O-OG1 2.93Å; R290-T293 PolarHBondContact O-N 3.35Å; E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 2.9Å; T293-R296 PolarHBondContact O-N 2.9Å; T293-A297 WeakPolarHBondContact O-CB 3.39Å; T293-A297 PolarHBondContact O-N 3.35Å
294A83Confident83.4Confident62 Ų62103 Ų10351%0.51250%0.499SS..Hα-helixtrans-62.6-42.5174.400000111.5R290 E291 A297 Y298R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 3.4Å; E291-A294 WeakPolarHBondContact O-CB 3.3Å; E291-A294 PolarHBondContact O-N 3.41Å; A294-A297 PolarHBondContact O-N 3.21Å; A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 3.33Å
295V82.1Confident82.3Confident76 Ų76108 Ų10846%0.46152%0.52SS..Hα-helixtrans-61.1-46.5174.4172.40000111E291 L292 A297 Y298 W299E291-V295 WeakPolarHBondContact O-CG2 3.49Å; E291-V295 PolarHBondContact O-N 3.24Å; L292-V295 PolarHBondContact O-N 2.87Å; V295-A297 PolarHBondContact O-N 3.31Å; V295-Y298 WeakPolarHBondContact O-CB 3.28Å; V295-Y298 PolarHBondContact O-N 3.47Å; V295-W299 PolarHBondContact O-N 3.09Å
296R80.3Confident81.3Confident196 Ų196106.8 Ų106.874%0.7452%0.515SS*.Hα-helixtrans-61-42.1175.9-74.6179.1179.9-175.1-1.9112.3L292 T293 W299 G300L292-R296 WeakPolarHBondContact O-CG 3.45Å; L292-R296 PolarHBondContact O-N 2.88Å; T293-R296 PolarHBondContact O-N 2.9Å; R296-W299 PolarHBondContact O-N 3.5Å; R296-G300 PolarHBondContact O-N 2.91Å
297A80.1Confident80.4Confident52 Ų52106.7 Ų106.743%0.4351%0.51SS..Hα-helixtrans-64.7-40177.600000112.1T293 A294 V295 G300 K301T293-A297 WeakPolarHBondContact O-CB 3.39Å; T293-A297 PolarHBondContact O-N 3.35Å; A294-A297 PolarHBondContact O-N 3.21Å; V295-A297 PolarHBondContact O-N 3.31Å; A297-G300 PolarHBondContact O-N 3.25Å; A297-K301 WeakPolarHBondContact O-CG 3.49Å; A297-K301 PolarHBondContact O-N 2.67Å
298Y80.9Confident79.2Confident138 Ų138104.1 Ų104.154%0.54151%0.505SS..Hα-helixtrans-60.3-51.1174.4173.2-94.9000111.5A294 V295 G300 K301 K302A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 3.33Å; V295-Y298 WeakPolarHBondContact O-CB 3.28Å; V295-Y298 PolarHBondContact O-N 3.47Å; Y298-G300 PolarHBondContact O-N 3.14Å; Y298-K301 PolarHBondContact O-N 2.81Å; Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 PolarHBondContact O-N 2.73Å
299W77.3Confident78Confident126 Ų126101.4 Ų101.448%0.47750%0.497SS..Hα-helixtrans-67.3-35.2179-73113.2000112.8V295 R296 K302 L303V295-W299 PolarHBondContact O-N 3.09Å; R296-W299 PolarHBondContact O-N 3.5Å; W299-K302 HydrophobicContact CE3-CD 3.97Å; W299-K302 HydrophobicContact CZ3-CD 3.74Å; W299-K302 PolarHBondContact O-N 3.19Å; W299-L303 WeakPolarHBondContact O-CB 3.43Å; W299-L303 PolarHBondContact O-N 3.49Å
300G75Confident76.7Confident39 Ų3996.2 Ų96.240%0.40248%0.477SS..Hα-helixtrans-60-46173.900000112.5R296 A297 Y298 L303 Q304R296-G300 PolarHBondContact O-N 2.91Å; A297-G300 PolarHBondContact O-N 3.25Å; Y298-G300 PolarHBondContact O-N 3.14Å; G300-L303 PolarHBondContact O-N 3.2Å; G300-Q304 WeakPolarHBondContact O-CB 3.42Å; G300-Q304 PolarHBondContact O-N 3.4Å
301K76.4Confident75.4Confident157 Ų15790.9 Ų90.968%0.68347%0.468SS*.Hα-helixtrans-62.3-43.5174.3-73.1178.8-179-177.50112A297 Y298 Q304 M305A297-K301 WeakPolarHBondContact O-CG 3.49Å; A297-K301 PolarHBondContact O-N 2.67Å; Y298-K301 PolarHBondContact O-N 2.81Å; K301-Q304 PolarHBondContact O-N 2.81Å; K301-M305 WeakPolarHBondContact O-CB 3.39Å; K301-M305 PolarHBondContact O-N 3.44Å
302K77Confident73.7Confident86 Ų8690.9 Ų90.937%0.37447%0.471SS..Hα-helixtrans-64.7-40.5178.5-167.1171.4-179179.20111.8Y298 W299 M305 L306Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 PolarHBondContact O-N 2.73Å; W299-K302 HydrophobicContact CE3-CD 3.97Å; W299-K302 HydrophobicContact CZ3-CD 3.74Å; W299-K302 PolarHBondContact O-N 3.19Å; K302-M305 PolarHBondContact O-N 2.93Å; K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.37Å
303L72.4Confident71.9Confident27 Ų2790.7 Ų90.714%0.14147%0.468CS..Hα-helixtrans-66.4-38.5175.8-153.680000111.5W299 G300 L306 K307 I333 M336W299-L303 WeakPolarHBondContact O-CB 3.43Å; W299-L303 PolarHBondContact O-N 3.49Å; G300-L303 PolarHBondContact O-N 3.2Å; L303-L306 PolarHBondContact O-N 2.99Å; L303-K307 WeakPolarHBondContact O-CG 3.24Å; L303-K307 PolarHBondContact O-N 2.75Å; L303-I333 HydrophobicContact CD1-CG1 4.07Å; L303-I333 HydrophobicContact CG-CG1 4.5Å; L303-M336 HydrophobicContact CD1-SD 4.32Å
304Q74.1Confident70.1Confident139 Ų13991.2 Ų91.265%0.6547%0.466SS*.Hα-helixtrans-66.2-40.9175.4-170.3174.49.100111.9G300 K301 K307 S308G300-Q304 WeakPolarHBondContact O-CB 3.42Å; G300-Q304 PolarHBondContact O-N 3.4Å; K301-Q304 PolarHBondContact O-N 2.81Å; Q304-K307 PolarHBondContact O-N 2.9Å; Q304-S308 PolarHBondContact O-N 3.37Å
305M70.3Confident68.3Low120 Ų12092.8 Ų92.859%0.59147%0.474SS*.Hα-helixtrans-62.8-41.6173-174.1-170.7-67.400111.7K301 K302 K307 S308 L309K301-M305 WeakPolarHBondContact O-CB 3.39Å; K301-M305 PolarHBondContact O-N 3.44Å; K302-M305 PolarHBondContact O-N 2.93Å; M305-K307 VanDerWaalsContact C-N 3.32Å; M305-K307 PolarHBondContact O-N 3.36Å; M305-S308 PolarHBondContact O-N 2.91Å; M305-S308 PolarHBondContact O-OG 3.34Å; M305-L309 HydrophobicContact CG-CD1 4.12Å; M305-L309 WeakPolarHBondContact O-CB 3.38Å; M305-L309 WeakPolarHBondContact O-CD1 3.42Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 3.31Å
306L70.9Confident66.5Low68 Ų6896.3 Ų96.336%0.35649%0.485SS..Hα-helixtrans-64.3-37.3174.1-73.9169.5000112K302 L303 C310K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.37Å; L303-L306 PolarHBondContact O-N 2.99Å; L306-C310 VanDerWaalsContact O-CB 3.31Å; L306-C310 WeakPolarHBondContact O-CB 3.4Å; L306-C310 PolarHBondContact O-N 3.48Å
307K72.1Confident64.6Low90 Ų9090.2 Ų90.239%0.39147%0.469SS..Hα-helixtrans-66.2-42.5173.9-76178.5180-177.60112L303 Q304 M305 C310 S311 I333L303-K307 WeakPolarHBondContact O-CG 3.24Å; L303-K307 PolarHBondContact O-N 2.75Å; Q304-K307 PolarHBondContact O-N 2.9Å; M305-K307 VanDerWaalsContact C-N 3.32Å; M305-K307 PolarHBondContact O-N 3.36Å; K307-C310 PolarHBondContact O-N 3.37Å; K307-S311 PolarHBondContact O-N 3.39Å; K307-S311 PolarHBondContact O-OG 3.34Å; K307-I333 HydrophobicContact CG-CD1 4.32Å
308S69.6Low62.6Low58 Ų5893.7 Ų93.741%0.40649%0.489SS..Hα-helixtrans-64.6-44.1176.963.90000111.5Q304 M305 C310 S311 D312Q304-S308 PolarHBondContact O-N 3.37Å; M305-S308 PolarHBondContact O-N 2.91Å; M305-S308 PolarHBondContact O-OG 3.34Å; S308-C310 VanDerWaalsContact C-N 3.27Å; S308-C310 PolarHBondContact O-N 3.48Å; S308-S311 PolarHBondContact O-N 3.24Å; S308-D312 WeakPolarHBondContact O-CB 3.29Å; S308-D312 PolarHBondContact O-N 2.74Å
309L64.2Low60.7Low85 Ų8590.4 Ų90.445%0.44550%0.498SS..Hα-helixtrans-57.7-39.3172.4-79.7155.7000112.1M305 H313M305-L309 HydrophobicContact CG-CD1 4.12Å; M305-L309 WeakPolarHBondContact O-CB 3.38Å; M305-L309 WeakPolarHBondContact O-CD1 3.42Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 3.31Å; L309-H313 WeakPolarHBondContact O-CB 3.42Å; L309-H313 PolarHBondContact O-CD2 3.2Å; L309-H313 VanDerWaalsContact O-CD2 3.28Å; L309-H313 PolarHBondContact O-N 2.89Å
310C61.6Low58.9Low25 Ų2588.8 Ų88.817%0.16951%0.505CS..Hα-helixtrans-71.6-38.9177.3-167.30000112.3L306 K307 S308 H313 L314L306-C310 VanDerWaalsContact O-CB 3.31Å; L306-C310 WeakPolarHBondContact O-CB 3.4Å; L306-C310 PolarHBondContact O-N 3.48Å; K307-C310 PolarHBondContact O-N 3.37Å; S308-C310 VanDerWaalsContact C-N 3.27Å; S308-C310 PolarHBondContact O-N 3.48Å; C310-H313 CarbonylContact O-C 3.56Å; C310-H313 PolarHBondContact O-N 3.02Å; C310-L314 VanDerWaalsContact O-CB 3.28Å; C310-L314 WeakPolarHBondContact O-CB 3.35Å; C310-L314 WeakPolarHBondContact O-CD1 3.18Å; C310-L314 WeakPolarHBondContact O-CG 3.3Å; C310-L314 PolarHBondContact O-N 2.84Å
311S58.1Low57.2Low74 Ų7495.2 Ų95.252%0.51753%0.527SS..Hα-helixtrans-65.7-39.6174.3-70.40000112K307 S308 L314 S315K307-S311 PolarHBondContact O-N 3.39Å; K307-S311 PolarHBondContact O-OG 3.34Å; S308-S311 PolarHBondContact O-N 3.24Å; S311-L314 PolarHBondContact O-N 3.45Å; S311-S315 PolarHBondContact O-N 3.45Å
312D52.4Low55.2Low101 Ų10198.6 Ų98.654%0.5454%0.536SS..Hα-helixtrans-65.2-42.8174.5-65.2-23.6000110.5S308 S315 Q316S308-D312 WeakPolarHBondContact O-CB 3.29Å; S308-D312 PolarHBondContact O-N 2.74Å; D312-S315 PolarHBondContact O-N 3.06Å; D312-S315 PolarHBondContact O-OG 3.33Å; D312-Q316 PolarHBondContact O-N 3.35Å
313H48.5Very low54Low99 Ų9999 Ų9946%0.45855%0.547SS..Hα-helixtrans-69.9-32.8174-87.3-64.4000113.9L309 C310 S315 Q316 V317L309-H313 WeakPolarHBondContact O-CB 3.42Å; L309-H313 PolarHBondContact O-CD2 3.2Å; L309-H313 VanDerWaalsContact O-CD2 3.28Å; L309-H313 PolarHBondContact O-N 2.89Å; C310-H313 CarbonylContact O-C 3.56Å; C310-H313 PolarHBondContact O-N 3.02Å; H313-S315 VanDerWaalsContact C-N 3.3Å; H313-S315 PolarHBondContact O-N 2.94Å; H313-Q316 CarbonylContact O-C 3.6Å; H313-Q316 PolarHBondContact O-N 2.77Å; H313-Q316 VanDerWaalsContact O-N 3.15Å; H313-V317 VanDerWaalsContact O-CB 3.26Å; H313-V317 WeakPolarHBondContact O-CB 3.23Å; H313-V317 WeakPolarHBondContact O-CG2 3.3Å; H313-V317 PolarHBondContact O-N 2.82Å
314L44.7Very low52.6Low97 Ų97107.1 Ų107.151%0.50858%0.577SS.*Hα-helixtrans-67.5-33.1174.2-85.3157.7000111.3C310 S311 Q316C310-L314 VanDerWaalsContact O-CB 3.28Å; C310-L314 WeakPolarHBondContact O-CB 3.35Å; C310-L314 WeakPolarHBondContact O-CD1 3.18Å; C310-L314 WeakPolarHBondContact O-CG 3.3Å; C310-L314 PolarHBondContact O-N 2.84Å; S311-L314 PolarHBondContact O-N 3.45Å; L314-Q316 VanDerWaalsContact C-N 3.29Å; L314-Q316 PolarHBondContact O-N 3.24Å
315S45.3Very low51.2Low95 Ų95108.1 Ų108.166%0.66458%0.581SS**Hα-helixtrans-68.3-28.9171.680.10000112.8S311 D312 H313S311-S315 PolarHBondContact O-N 3.45Å; D312-S315 PolarHBondContact O-N 3.06Å; D312-S315 PolarHBondContact O-OG 3.33Å; H313-S315 VanDerWaalsContact C-N 3.3Å; H313-S315 PolarHBondContact O-N 2.94Å
316Q44.4Very low50.2Low150 Ų150106.2 Ų106.270%0.70157%0.573SS**Hα-helixtrans-88.5-26.2177.5-92.7179.1-12.400114.6D312 H313 L314D312-Q316 PolarHBondContact O-N 3.35Å; H313-Q316 CarbonylContact O-C 3.6Å; H313-Q316 PolarHBondContact O-N 2.77Å; H313-Q316 VanDerWaalsContact O-N 3.15Å; L314-Q316 VanDerWaalsContact C-N 3.29Å; L314-Q316 PolarHBondContact O-N 3.24Å
317V41.6Very low49.4Very low68 Ų68106.8 Ų106.841%0.41258%0.582SS.*Hα-helixtrans-102.610.2-170.6-176.70000112.9H313 G319H313-V317 VanDerWaalsContact O-CB 3.26Å; H313-V317 WeakPolarHBondContact O-CB 3.23Å; H313-V317 WeakPolarHBondContact O-CG2 3.3Å; H313-V317 PolarHBondContact O-N 2.82Å; V317-G319 PolarHBondContact O-N 3.48Å
318C38.3Very low48.5Very low126 Ų126107.6 Ų107.685%0.85159%0.59SS**THydrogen-bonded Turntrans-67.59.6163.1-89.10000114.2
319G41.4Very low47.7Very low69 Ų69108.6 Ų108.671%0.71159%0.591SS**THydrogen-bonded Turntrans-102.2-19.7179.900000117V317V317-G319 PolarHBondContact O-N 3.48Å
320S39.2Very low47.3Very low91 Ų91107.9 Ų107.964%0.63659%0.592SS**SBendtrans-162.9115.6-176.142.10000114
321M37.8Very low47Very low174 Ų174113.9 Ų113.986%0.85761%0.612SS**  trans3.5114.2147.2-159.2148.766.200115
322W35.8Very low47Very low229 Ų229115.1 Ų115.187%0.86761%0.612SS**  trans174.2107.2142.5-90.227.8000110.5
323P52.2Low47.2Very low95 Ų95111.4 Ų111.462%0.61759%0.592SS**  trans-104.120.5-167.137.4-32.7000118
324Y42.5Very low47.3Very low196 Ų196112.9 Ų112.977%0.76960%0.599SS**SBendtrans-100.2-30.7-174.5-62.4-70.3000116.5
325H45.5Very low47.9Very low160 Ų160112.4 Ų112.474%0.74160%0.596SS**Hα-helixtrans-90.6-28.2-175.9-82.6-70.7000115.2C327H325-C327 PolarHBondContact O-N 3.09Å
326L49Very low48.3Very low80 Ų80112.6 Ų112.642%0.41959%0.588SS.*Hα-helixtrans-72-18.5175.2-82.8150.8000112.8C330L326-C330 PolarHBondContact O-N 2.97Å
327C54.3Low48.4Very low81 Ų81110.2 Ų110.255%0.54758%0.58SS.*Hα-helixtrans-71-37.1179.8-167.50000112.8H325 L329 C330 Y331H325-C327 PolarHBondContact O-N 3.09Å; C327-L329 PolarHBondContact O-N 3.33Å; C327-C330 PolarHBondContact O-N 2.63Å; C327-Y331 VanDerWaalsContact O-CB 3.23Å; C327-Y331 WeakPolarHBondContact O-CB 3.45Å; C327-Y331 PolarHBondContact O-N 2.96Å
328L51.5Low48.6Very low106 Ų106111.3 Ų111.356%0.55559%0.591SS**Hα-helixtrans-64.8-38.5179.6-97.1144.5000112.7Y331 L332L328-Y331 PolarHBondContact O-N 3.12Å; L328-L332 WeakPolarHBondContact O-CB 3.23Å; L328-L332 VanDerWaalsContact O-CG 3.24Å; L328-L332 WeakPolarHBondContact O-CG 3.31Å; L328-L332 PolarHBondContact O-N 3.2Å
329L54.4Low48.7Very low80 Ų80112.6 Ų112.642%0.41960%0.601SS.*Hα-helixtrans-71-41.4179.3-120.6144.3000111.4C327 L332 I333C327-L329 PolarHBondContact O-N 3.33Å; L329-L332 PolarHBondContact O-N 3.04Å; L329-I333 HydrophobicContact CD2-CD1 4.29Å; L329-I333 WeakPolarHBondContact O-CD1 3.19Å; L329-I333 VanDerWaalsContact O-CG1 3.22Å; L329-I333 WeakPolarHBondContact O-CG1 3.47Å; L329-I333 PolarHBondContact O-N 3.45Å
330C54.6Low49.1Very low69 Ų69114.8 Ų114.847%0.46660%0.596SS.*Hα-helixtrans-63.7-40.5171.4-73.80000112.2L326 C327 I333 H334L326-C330 PolarHBondContact O-N 2.97Å; C327-C330 PolarHBondContact O-N 2.63Å; C330-I333 PolarHBondContact O-N 3.46Å; C330-H334 WeakPolarHBondContact O-CB 3.39Å; C330-H334 PolarHBondContact O-N 3.28Å
331Y55.1Low49.6Very low151 Ų151116.1 Ų116.159%0.59259%0.593SS**Hα-helixtrans-64.2-43.1177.8-171.5-107.7000111.9C327 L328 H334 I335C327-Y331 VanDerWaalsContact O-CB 3.23Å; C327-Y331 WeakPolarHBondContact O-CB 3.45Å; C327-Y331 PolarHBondContact O-N 2.96Å; L328-Y331 PolarHBondContact O-N 3.12Å; Y331-H334 PolarHBondContact O-N 2.71Å; Y331-I335 HydrophobicContact CD1-CD1 3.67Å; Y331-I335 HydrophobicContact CE1-CD1 3.28Å; Y331-I335 HydrophobicContact CE1-CG1 4.27Å; Y331-I335 HydrophobicContact CG-CD1 4.46Å; Y331-I335 WeakPolarHBondContact O-CG1 3.35Å; Y331-I335 PolarHBondContact O-N 3.12Å
332L57.7Low50.3Low100 Ų100112.8 Ų112.852%0.52458%0.579SS.*Hα-helixtrans-64.9-40.2175.1-71.9170.2000112.3L328 L329 H334 I335 M336L328-L332 WeakPolarHBondContact O-CB 3.23Å; L328-L332 VanDerWaalsContact O-CG 3.24Å; L328-L332 WeakPolarHBondContact O-CG 3.31Å; L328-L332 PolarHBondContact O-N 3.2Å; L329-L332 PolarHBondContact O-N 3.04Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-H334 PolarHBondContact O-N 3.07Å; L332-I335 PolarHBondContact O-N 3.41Å; L332-M336 WeakPolarHBondContact O-CG 3.44Å; L332-M336 PolarHBondContact O-N 2.83Å
333I58.6Low51.1Low24 Ų24106 Ų10612%0.12356%0.562CS.*Hα-helixtrans-64-36.5174.2-69.1166.5000111L303 K307 L329 C330 N337L303-I333 HydrophobicContact CD1-CG1 4.07Å; L303-I333 HydrophobicContact CG-CG1 4.5Å; K307-I333 HydrophobicContact CG-CD1 4.32Å; L329-I333 HydrophobicContact CD2-CD1 4.29Å; L329-I333 WeakPolarHBondContact O-CD1 3.19Å; L329-I333 VanDerWaalsContact O-CG1 3.22Å; L329-I333 WeakPolarHBondContact O-CG1 3.47Å; L329-I333 PolarHBondContact O-N 3.45Å; C330-I333 PolarHBondContact O-N 3.46Å; I333-N337 PolarHBondContact O-N 3Å; I333-N337 PolarHBondContact O-ND2 3.23Å
334H50Low51.1Low130 Ų130106.7 Ų106.760%0.60256%0.558SS**Hα-helixtrans-71.2-43.3179-159-20.1000112C330 Y331 L332 M336 N337 S338C330-H334 WeakPolarHBondContact O-CB 3.39Å; C330-H334 PolarHBondContact O-N 3.28Å; Y331-H334 PolarHBondContact O-N 2.71Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-H334 PolarHBondContact O-N 3.07Å; H334-M336 VanDerWaalsContact C-N 3.26Å; H334-M336 PolarHBondContact O-N 3.27Å; H334-N337 PolarHBondContact O-N 3.18Å; H334-S338 PolarHBondContact O-N 2.57Å; H334-S338 PolarHBondContact O-OG 3.23Å; H334-S338 VanDerWaalsContact O-OG 3.06Å
335I56.9Low51.6Low87 Ų87100.7 Ų100.745%0.44654%0.544SS..Hα-helixtrans-57.8-42176-71.5171.1000110.8Y331 L332 N337 S338Y331-I335 HydrophobicContact CD1-CD1 3.67Å; Y331-I335 HydrophobicContact CE1-CD1 3.28Å; Y331-I335 HydrophobicContact CE1-CG1 4.27Å; Y331-I335 HydrophobicContact CG-CD1 4.46Å; Y331-I335 WeakPolarHBondContact O-CG1 3.35Å; Y331-I335 PolarHBondContact O-N 3.12Å; L332-I335 PolarHBondContact O-N 3.41Å; I335-N337 VanDerWaalsContact C-N 3.33Å; I335-N337 PolarHBondContact O-N 3.15Å; I335-S338 PolarHBondContact O-N 3.04Å
336M53.9Low52.1Low98 Ų9896.5 Ų96.548%0.48353%0.53SS..Hα-helixtrans-72-18.8-177.9-73.4-17258.900115.1L303 L332 H334L303-M336 HydrophobicContact CD1-SD 4.32Å; L332-M336 WeakPolarHBondContact O-CG 3.44Å; L332-M336 PolarHBondContact O-N 2.83Å; H334-M336 VanDerWaalsContact C-N 3.26Å; H334-M336 PolarHBondContact O-N 3.27Å
337N46.9Very low52.3Low100 Ų10097.8 Ų97.854%0.53554%0.539SS..Hα-helixtrans-91.5-10.9175.8-68-42.5000113I333 H334 I335I333-N337 PolarHBondContact O-N 3Å; I333-N337 PolarHBondContact O-ND2 3.23Å; H334-N337 PolarHBondContact O-N 3.18Å; I335-N337 VanDerWaalsContact C-N 3.33Å; I335-N337 PolarHBondContact O-N 3.15Å
338S45.3Very low52.1Low92 Ų9299.2 Ų99.264%0.64354%0.538SS*.  trans-93.40.9-178.7-53.80000113.5H334 I335H334-S338 PolarHBondContact O-N 2.57Å; H334-S338 PolarHBondContact O-OG 3.23Å; H334-S338 VanDerWaalsContact O-OG 3.06Å; I335-S338 PolarHBondContact O-N 3.04Å
339S40.9Very low52.2Low153 Ų15398.5 Ų98.5100%1.0754%0.537SS*.  trans-117.80176.4670000110.9

Retrieved 339 of 339 residues in 415.8 ms (Link to these results)