A0A087XSZ9_POEFO Loading...

Ataxin-7-like protein 3

Component of the transcription regulatory histone acetylation (HAT) complex SAGA, a multiprotein complex that activates transcription by remodeling chromatin and mediating histone acetylation and deubiquitination. Within the SAGA complex, participates in a subcomplex that specifically deubiquitinates histone H2B. The SAGA complex is recruited to specific gene promoters by activators, where it is required for transcription.

AlphaFold DB , UniProt , Accession A0A087XSZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene ATXN7L3, Length 361 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
1M45.9Very low50.9Low239 Ų239159.5 Ų159.5100%1.17784%0.84SS**  0105.60-77.4163.4166.500107.5
2K44.3Very low52.4Low218 Ų218153 Ų15395%0.94881%0.806SS**  trans-86.2114.9168.8-87.7177.7168.8-179.40105.9E4K2-E4 PolarHBondContact O-N 3.25Å
3M44.5Very low54.4Low176 Ų176150.7 Ų150.787%0.86780%0.795SS**  trans-84.2109.9173.4-63.6-78.6-94.200106.1E5M3-E5 PolarHBondContact O-N 3.46Å
4E50.5Low56.7Low186 Ų186148.4 Ų148.487%0.86979%0.79SS**  trans-77.8111.3173.3-166.9179143.500107.4K2 K6K2-E4 PolarHBondContact O-N 3.25Å; E4-K6 PolarHBondContact O-N 3.48Å
5E47.1Very low58.8Low184 Ų184150.2 Ų150.286%0.8678%0.782SS**  trans-74.9108.7173.8-70.6-147148.200109.5M3M3-E5 PolarHBondContact O-N 3.46Å
6K47.6Very low60.8Low183 Ų183146.6 Ų146.680%0.79676%0.763SS**  trans-66.6121.8167.6-120.2172.2178.1175.30108.3E4 L8E4-K6 PolarHBondContact O-N 3.48Å; K6-L8 PolarHBondContact O-N 2.99Å; K6-L8 VanDerWaalsContact O-N 3.1Å
7P51.3Low62.6Low122 Ų122145.2 Ų145.279%0.79275%0.752SS**  trans-71.8110.8170.929.1-29.2000107.5S9P7-S9 PolarHBondContact O-N 3.24Å; P7-S9 VanDerWaalsContact O-N 3.15Å
8L49.5Very low64.3Low166 Ų166139.9 Ų139.987%0.86973%0.733SS**  trans-66.6108.9164.5-85.984.3000107.1K6 G10K6-L8 PolarHBondContact O-N 2.99Å; K6-L8 VanDerWaalsContact O-N 3.1Å; L8-G10 PolarHBondContact O-N 3.1Å
9S55.1Low65.9Low113 Ų113138.3 Ų138.379%0.7972%0.724SS**  trans-61.4101.9168.154.30000108.8P7P7-S9 PolarHBondContact O-N 3.24Å; P7-S9 VanDerWaalsContact O-N 3.15Å
10G64.2Low67.4Low48 Ų48135.9 Ų135.950%0.49571%0.711SS.*  trans-61.2161.4164.300000110.7L8 D12L8-G10 PolarHBondContact O-N 3.1Å; G10-D12 PolarHBondContact O-N 3.15Å
11P60Low68.8Low119 Ų119134.5 Ų134.577%0.77370%0.701SS**SBendtrans-51.9134.1-178.524.1-33.4000109.9N13P11-N13 PolarHBondContact O-N 3.32Å
12D68.6Low71.2Confident82 Ų82127.7 Ų127.744%0.43967%0.67SS.*  trans-50.2105.9-172.5-53.1-56.3000110.4G10 T14 R15 L16G10-D12 PolarHBondContact O-N 3.15Å; D12-T14 PolarHBondContact O-N 2.9Å; D12-R15 HydrophobicContact CB-CB 4.34Å; D12-R15 HydrophobicContact CB-CG 4.04Å; D12-R15 WeakPolarHBondContact O-CA 3.32Å; D12-R15 WeakPolarHBondContact O-CB 3.47Å; D12-R15 PolarHBondContact O-N 3.35Å; D12-R15 IonicContact OD2-CZ 3.37Å; D12-R15 IonicContact OD2-NE 3.61Å; D12-R15 IonicContact OD2-NH1 2.76Å; D12-R15 PolarHBondContact OD2-NH1 2.77Å; D12-L16 PolarHBondContact O-N 3.37Å
13N78.2Confident73.8Confident123 Ų123121.3 Ų121.366%0.65865%0.649SS**Hα-helixtrans-50.2-33.4-176.9-75.1-39.3000112.1P11 R15 L16 E17P11-N13 PolarHBondContact O-N 3.32Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 3.04Å; N13-L16 WeakPolarHBondContact O-CB 3.38Å; N13-L16 PolarHBondContact O-N 2.97Å; N13-L16 VanDerWaalsContact O-N 3.17Å; N13-E17 VanDerWaalsContact O-CG 3.32Å; N13-E17 WeakPolarHBondContact O-CG 3.47Å; N13-E17 PolarHBondContact O-N 3.17Å
14T86.9Confident76.3Confident119 Ų119119.7 Ų119.773%0.7363%0.634SS**Hα-helixtrans-60.5-35.3174.8-40.20000113.8D12 A18D12-T14 PolarHBondContact O-N 2.9Å; T14-A18 WeakPolarHBondContact O-CB 3.47Å; T14-A18 PolarHBondContact O-N 2.76Å
15R88Confident78.6Confident175 Ų175112.7 Ų112.766%0.6661%0.606SS**Hα-helixtrans-72.8-36.4175.3-71.3-179.2170.1159.3-11.8111.5D12 N13 A18 L19D12-R15 HydrophobicContact CB-CB 4.34Å; D12-R15 HydrophobicContact CB-CG 4.04Å; D12-R15 WeakPolarHBondContact O-CA 3.32Å; D12-R15 WeakPolarHBondContact O-CB 3.47Å; D12-R15 PolarHBondContact O-N 3.35Å; D12-R15 IonicContact OD2-CZ 3.37Å; D12-R15 IonicContact OD2-NE 3.61Å; D12-R15 IonicContact OD2-NH1 2.76Å; D12-R15 PolarHBondContact OD2-NH1 2.77Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 3.04Å; R15-A18 PolarHBondContact O-N 3.46Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 2.94Å
16L91.1Very high81Confident92 Ų92110 Ų11048%0.48259%0.593SS.*Hα-helixtrans-65.4-45.4174.8-178.562.6000110.8D12 N13 A18 L19 I20D12-L16 PolarHBondContact O-N 3.37Å; N13-L16 WeakPolarHBondContact O-CB 3.38Å; N13-L16 PolarHBondContact O-N 2.97Å; N13-L16 VanDerWaalsContact O-N 3.17Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 3.32Å; L16-I20 HydrophobicContact CD1-CD1 4.36Å; L16-I20 HydrophobicContact CG-CD1 3.99Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 3.23Å
17E91.6Very high83.4Confident123 Ų123106.7 Ų106.758%0.57558%0.583SS**Hα-helixtrans-59.6-41.9174.5-69.3-65.2157.700112N13 I20 Q21N13-E17 VanDerWaalsContact O-CG 3.32Å; N13-E17 WeakPolarHBondContact O-CG 3.47Å; N13-E17 PolarHBondContact O-N 3.17Å; E17-I20 PolarHBondContact O-N 3.44Å; E17-Q21 WeakPolarHBondContact O-CB 3.28Å; E17-Q21 PolarHBondContact O-N 2.92Å
18A93.3Very high85.6Confident50 Ų50103.6 Ų103.641%0.41356%0.562SS.*Hα-helixtrans-61.4-44.9175.300000112.1T14 R15 L16 I20 Q21 D22T14-A18 WeakPolarHBondContact O-CB 3.47Å; T14-A18 PolarHBondContact O-N 2.76Å; R15-A18 PolarHBondContact O-N 3.46Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.91Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-I20 PolarHBondContact O-N 3.43Å; A18-Q21 PolarHBondContact O-N 3.47Å; A18-D22 PolarHBondContact O-N 3.46Å
19L95.3Very high87.9Confident109 Ų109101.5 Ų101.557%0.57155%0.548SS*.Hα-helixtrans-63.8-38.7176.7-73.2167.5000112.5R15 L16 Q21 D22 V23R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.32Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-D22 PolarHBondContact O-N 3.02Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.3Å
20I96Very high89.9Confident90 Ų90101.4 Ų101.446%0.46254%0.539SS..Hα-helixtrans-63.9-42.8175.8-69.8165.4000110.1L16 E17 A18 V23 Y24L16-I20 HydrophobicContact CD1-CD1 4.36Å; L16-I20 HydrophobicContact CG-CD1 3.99Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 3.23Å; E17-I20 PolarHBondContact O-N 3.44Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-I20 PolarHBondContact O-N 3.43Å; I20-V23 PolarHBondContact O-N 2.94Å; I20-Y24 VanDerWaalsContact O-CB 3.29Å; I20-Y24 WeakPolarHBondContact O-CB 3.48Å; I20-Y24 PolarHBondContact O-N 2.91Å
21Q96.1Very high91.5Very high107 Ų107102.4 Ų102.450%0.554%0.542SS..Hα-helixtrans-66.1-38.3178.8-170.761.228.500112.2E17 A18 L19 Y24 S25E17-Q21 WeakPolarHBondContact O-CB 3.28Å; E17-Q21 PolarHBondContact O-N 2.92Å; A18-Q21 PolarHBondContact O-N 3.47Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; Q21-Y24 PolarHBondContact O-N 2.7Å; Q21-S25 WeakPolarHBondContact O-CB 3.36Å; Q21-S25 PolarHBondContact O-N 3.24Å; Q21-S25 PolarHBondContact O-OG 2.88Å
22D97.1Very high93.2Very high97 Ų97100 Ų10052%0.51953%0.527SS..Hα-helixtrans-63-50.4175.9-72.4-11.7000110.5A18 L19 Y24 S25 E26A18-D22 PolarHBondContact O-N 3.46Å; L19-D22 PolarHBondContact O-N 3.02Å; D22-Y24 VanDerWaalsContact C-N 3.33Å; D22-Y24 PolarHBondContact O-N 2.73Å; D22-S25 PolarHBondContact O-N 2.95Å; D22-S25 VanDerWaalsContact O-N 3.16Å; D22-E26 PolarHBondContact O-N 3.44Å
23V97.5Very high94.6Very high84 Ų84100.2 Ų100.251%0.50953%0.528SS..Hα-helixtrans-61.1-42.2177.2172.70000111.5L19 I20 S25 E26 L27L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.3Å; I20-V23 PolarHBondContact O-N 2.94Å; V23-S25 VanDerWaalsContact C-N 3.33Å; V23-S25 PolarHBondContact O-N 3.46Å; V23-E26 PolarHBondContact O-N 3.22Å; V23-L27 HydrophobicContact CG1-CD1 4.25Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.67Å; V23-L27 VanDerWaalsContact O-N 3.11Å
24Y97.7Very high95.4Very high141 Ų14195.9 Ų95.955%0.55351%0.513SS*.Hα-helixtrans-61.6-42.8176.5176.2-97.8000111.7I20 Q21 D22 L27 V28I20-Y24 VanDerWaalsContact O-CB 3.29Å; I20-Y24 WeakPolarHBondContact O-CB 3.48Å; I20-Y24 PolarHBondContact O-N 2.91Å; Q21-Y24 PolarHBondContact O-N 2.7Å; D22-Y24 VanDerWaalsContact C-N 3.33Å; D22-Y24 PolarHBondContact O-N 2.73Å; Y24-L27 PolarHBondContact O-N 3.01Å; Y24-V28 HydrophobicContact CD1-CG2 4.18Å; Y24-V28 HydrophobicContact CE1-CG2 3.7Å; Y24-V28 HydrophobicContact CE2-CG2 4.05Å; Y24-V28 WeakPolarHBondContact O-CG2 3.23Å; Y24-V28 PolarHBondContact O-N 3.05Å
25S97.6Very high95.8Very high39 Ų3995.2 Ų95.227%0.27350%0.504SS..Hα-helixtrans-64.8-43.6180-55.70000111Q21 D22 V23 L27 V28 E29Q21-S25 WeakPolarHBondContact O-CB 3.36Å; Q21-S25 PolarHBondContact O-N 3.24Å; Q21-S25 PolarHBondContact O-OG 2.88Å; D22-S25 PolarHBondContact O-N 2.95Å; D22-S25 VanDerWaalsContact O-N 3.16Å; V23-S25 VanDerWaalsContact C-N 3.33Å; V23-S25 PolarHBondContact O-N 3.46Å; S25-L27 VanDerWaalsContact C-N 3.34Å; S25-L27 PolarHBondContact O-N 3.44Å; S25-V28 PolarHBondContact O-N 3.33Å; S25-E29 WeakPolarHBondContact O-CB 3.49Å; S25-E29 WeakPolarHBondContact O-CG 3.33Å; S25-E29 PolarHBondContact O-N 3.48Å
26E97.7Very high96.2Very high127 Ų12790.6 Ų90.659%0.59350%0.498SS*.Hα-helixtrans-57.4-45.6174.4-73-177.8-178.200111.9D22 V23 V28 E29 D30D22-E26 PolarHBondContact O-N 3.44Å; V23-E26 PolarHBondContact O-N 3.22Å; E26-V28 PolarHBondContact O-N 3.41Å; E26-E29 PolarHBondContact O-N 3.16Å; E26-D30 WeakPolarHBondContact O-CB 3.39Å; E26-D30 PolarHBondContact O-N 3.06Å
27L98Very high96.4Very high114 Ų11492.7 Ų92.760%0.59750%0.503SS*.Hα-helixtrans-64.3-38.9178.5-68.9173.4000112.8V23 Y24 S25 A31V23-L27 HydrophobicContact CG1-CD1 4.25Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.67Å; V23-L27 VanDerWaalsContact O-N 3.11Å; Y24-L27 PolarHBondContact O-N 3.01Å; S25-L27 VanDerWaalsContact C-N 3.34Å; S25-L27 PolarHBondContact O-N 3.44Å; L27-A31 WeakPolarHBondContact O-CB 3.33Å; L27-A31 PolarHBondContact O-N 3.23Å
28V97.9Very high96.5Very high58 Ų5893.1 Ų93.135%0.35251%0.505SS..Hα-helixtrans-67.6-43.2176.7170.60000110.7Y24 S25 E26 A31 C32Y24-V28 HydrophobicContact CD1-CG2 4.18Å; Y24-V28 HydrophobicContact CE1-CG2 3.7Å; Y24-V28 HydrophobicContact CE2-CG2 4.05Å; Y24-V28 WeakPolarHBondContact O-CG2 3.23Å; Y24-V28 PolarHBondContact O-N 3.05Å; S25-V28 PolarHBondContact O-N 3.33Å; E26-V28 PolarHBondContact O-N 3.41Å; V28-A31 PolarHBondContact O-N 3.11Å; V28-C32 WeakPolarHBondContact O-CB 3.37Å; V28-C32 PolarHBondContact O-N 2.98Å; V28-C32 PolarHBondContact O-SG 3.27Å
29E97.3Very high96.6Very high122 Ų12293.6 Ų93.657%0.5750%0.502SS*.Hα-helixtrans-61.9-44.7177.5-74.6178.3-166.700111.4S25 E26 A31 C32 L33S25-E29 WeakPolarHBondContact O-CB 3.49Å; S25-E29 WeakPolarHBondContact O-CG 3.33Å; S25-E29 PolarHBondContact O-N 3.48Å; E26-E29 PolarHBondContact O-N 3.16Å; E29-A31 PolarHBondContact O-N 3.39Å; E29-C32 PolarHBondContact O-N 3.38Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 WeakPolarHBondContact O-CG 3.35Å; E29-L33 PolarHBondContact O-N 3.45Å
30D97.5Very high96.6Very high111 Ų11193.3 Ų93.359%0.59450%0.498SS*.Hα-helixtrans-62.3-43.2176.2-85.3-5.8000112.2E26 L33 G34E26-D30 WeakPolarHBondContact O-CB 3.39Å; E26-D30 PolarHBondContact O-N 3.06Å; D30-L33 PolarHBondContact O-N 2.89Å; D30-G34 PolarHBondContact O-N 2.83Å
31A97.2Very high96.5Very high68 Ų6896.1 Ų96.156%0.56250%0.503SS*.Hα-helixtrans-63.4-42.3175.200000111.9L27 V28 E29 G34 L35L27-A31 WeakPolarHBondContact O-CB 3.33Å; L27-A31 PolarHBondContact O-N 3.23Å; V28-A31 PolarHBondContact O-N 3.11Å; E29-A31 PolarHBondContact O-N 3.39Å; A31-G34 PolarHBondContact O-N 3.05Å; A31-L35 PolarHBondContact O-N 2.88Å; A31-L35 VanDerWaalsContact O-N 3.12Å
32C97.3Very high96.3Very high69 Ų6991.5 Ų91.547%0.46648%0.483SS..Hα-helixtrans-65-42.4177.2-70.40000111.9V28 E29 G34 L35 C36V28-C32 WeakPolarHBondContact O-CB 3.37Å; V28-C32 PolarHBondContact O-N 2.98Å; V28-C32 PolarHBondContact O-SG 3.27Å; E29-C32 PolarHBondContact O-N 3.38Å; C32-G34 VanDerWaalsContact C-N 3.34Å; C32-L35 PolarHBondContact O-N 2.94Å; C32-C36 WeakPolarHBondContact O-CB 3.5Å; C32-C36 PolarHBondContact O-N 3.17Å; C32-C36 PolarHBondContact O-SG 3.13Å
33L96.9Very high96.2Very high87 Ų8790.5 Ų90.546%0.45548%0.48SS..Hα-helixtrans-62.9-41.9175.4-82.3162.9000111.2E29 D30 L35 C36 F37E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 WeakPolarHBondContact O-CG 3.35Å; E29-L33 PolarHBondContact O-N 3.45Å; D30-L33 PolarHBondContact O-N 2.89Å; L33-L35 PolarHBondContact O-N 2.94Å; L33-C36 WeakPolarHBondContact O-CB 3.33Å; L33-C36 PolarHBondContact O-N 3.38Å; L33-F37 HydrophobicContact CB-CE2 4.25Å; L33-F37 HydrophobicContact CD2-CE2 4.34Å; L33-F37 HydrophobicContact CD2-CZ 4.49Å; L33-F37 WeakPolarHBondContact O-CD2 3.42Å; L33-F37 WeakPolarHBondContact O-CG 3.39Å; L33-F37 PolarHBondContact O-N 3.33Å
34G95.8Very high96Very high32 Ų3294 Ų9433%0.3349%0.488SS..Hα-helixtrans-52.8-53.217300000112.1D30 A31 C32 C36 F37 E38D30-G34 PolarHBondContact O-N 2.83Å; A31-G34 PolarHBondContact O-N 3.05Å; C32-G34 VanDerWaalsContact C-N 3.34Å; G34-C36 PolarHBondContact O-N 3.5Å; G34-F37 PolarHBondContact O-N 3.37Å; G34-E38 PolarHBondContact O-N 3.32Å
35L95Very high95.7Very high105 Ų10592.6 Ų92.655%0.5549%0.487SS..Hα-helixtrans-60.8-42.9176.8-17865.1000112.2A31 C32 L33 F37 E38 V39A31-L35 PolarHBondContact O-N 2.88Å; A31-L35 VanDerWaalsContact O-N 3.12Å; C32-L35 PolarHBondContact O-N 2.94Å; L33-L35 PolarHBondContact O-N 2.94Å; L35-F37 VanDerWaalsContact C-N 3.29Å; L35-F37 PolarHBondContact O-N 2.97Å; L35-E38 PolarHBondContact O-N 3.16Å; L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 3.5Å
36C96.3Very high95.2Very high78 Ų7893.4 Ų93.453%0.52750%0.502SS..Hα-helixtrans-60.2-39.7177.5-710000111.9C32 L33 G34 H40C32-C36 WeakPolarHBondContact O-CB 3.5Å; C32-C36 PolarHBondContact O-N 3.17Å; C32-C36 PolarHBondContact O-SG 3.13Å; L33-C36 WeakPolarHBondContact O-CB 3.33Å; L33-C36 PolarHBondContact O-N 3.38Å; G34-C36 PolarHBondContact O-N 3.5Å; C36-H40 WeakPolarHBondContact O-CB 3.46Å; C36-H40 PolarHBondContact O-N 3.02Å
37F96.3Very high94.6Very high136 Ų13691.8 Ų91.860%0.59649%0.491SS*.Hα-helixtrans-69.6-37.5176.8-71.9-51.8000112.7L33 G34 L35 H40 R41L33-F37 HydrophobicContact CB-CE2 4.25Å; L33-F37 HydrophobicContact CD2-CE2 4.34Å; L33-F37 HydrophobicContact CD2-CZ 4.49Å; L33-F37 WeakPolarHBondContact O-CD2 3.42Å; L33-F37 WeakPolarHBondContact O-CG 3.39Å; L33-F37 PolarHBondContact O-N 3.33Å; G34-F37 PolarHBondContact O-N 3.37Å; L35-F37 VanDerWaalsContact C-N 3.29Å; L35-F37 PolarHBondContact O-N 2.97Å; F37-H40 PolarHBondContact O-N 2.94Å; F37-R41 WeakPolarHBondContact O-CB 3.47Å; F37-R41 PolarHBondContact O-N 3.27Å
38E93.7Very high93.7Very high132 Ų13290.3 Ų90.362%0.61748%0.48SS*.Hα-helixtrans-61.9-49.3173.9-72.7-178.3173.200111.4G34 L35 R41 A42G34-E38 PolarHBondContact O-N 3.32Å; L35-E38 PolarHBondContact O-N 3.16Å; E38-R41 WeakPolarHBondContact O-CB 3Å; E38-R41 PolarHBondContact O-N 3.47Å; E38-A42 WeakPolarHBondContact O-CB 3.46Å; E38-A42 PolarHBondContact O-N 3.12Å
39V93.6Very high92.2Very high59 Ų5993.2 Ų93.236%0.35849%0.488SS..Hα-helixtrans-60.3-48.5176167.60000110.8L35 R41 A42 V43 F48L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 3.5Å; V39-R41 VanDerWaalsContact C-N 3.32Å; V39-R41 PolarHBondContact O-N 3.4Å; V39-A42 WeakPolarHBondContact O-CB 3.47Å; V39-A42 PolarHBondContact O-N 3.1Å; V39-V43 VanDerWaalsContact O-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 3.45Å; V39-F48 HydrophobicContact CB-CE2 4.26Å; V39-F48 HydrophobicContact CG1-CD2 4.26Å; V39-F48 HydrophobicContact CG1-CE2 3.54Å; V39-F48 HydrophobicContact CG1-CZ 3.75Å; V39-F48 HydrophobicContact CG2-CE2 4.19Å
40H95.8Very high90.6Very high103 Ų10393 Ų9348%0.47749%0.49SS..Hα-helixtrans-61-42.1178.3176.1-100.8000111.7C36 F37 V43 K44C36-H40 WeakPolarHBondContact O-CB 3.46Å; C36-H40 PolarHBondContact O-N 3.02Å; F37-H40 PolarHBondContact O-N 2.94Å; H40-V43 PolarHBondContact O-N 3.21Å; H40-K44 WeakPolarHBondContact NE2-CE 3.17Å; H40-K44 WeakPolarHBondContact O-CB 3.31Å; H40-K44 VanDerWaalsContact O-CG 3.29Å; H40-K44 WeakPolarHBondContact O-CG 3.2Å; H40-K44 PolarHBondContact O-N 3.43Å
41R95Very high88.8Confident150 Ų15095 Ų9557%0.56650%0.501SS*.Hα-helixtrans-60.8-45.9175.2180-173.4165.3-174.4-5.3110.6F37 E38 V39 V43 K44 Q45 Y47F37-R41 WeakPolarHBondContact O-CB 3.47Å; F37-R41 PolarHBondContact O-N 3.27Å; E38-R41 WeakPolarHBondContact O-CB 3Å; E38-R41 PolarHBondContact O-N 3.47Å; V39-R41 VanDerWaalsContact C-N 3.32Å; V39-R41 PolarHBondContact O-N 3.4Å; R41-V43 VanDerWaalsContact C-N 3.33Å; R41-V43 PolarHBondContact O-N 2.97Å; R41-K44 PolarHBondContact O-N 3.24Å; R41-Q45 VanDerWaalsContact CG-CD 3.5Å; R41-Q45 HydrophobicContact CG-CG 4.31Å; R41-Q45 VanDerWaalsContact O-CB 3.26Å; R41-Q45 WeakPolarHBondContact O-CB 3.43Å; R41-Q45 WeakPolarHBondContact O-CG 3.44Å; R41-Q45 PolarHBondContact O-N 3.38Å; R41-Y47 WeakPolarHBondContact CG-OH 3.49Å; R41-Y47 PolarHBondContact NE-OH 3.42Å
42A92.2Very high86.8Confident10 Ų1098.8 Ų98.88%0.08351%0.507CS..Hα-helixtrans-59.2-43.8176.900000112.2E38 V39 G46 Y47 F48E38-A42 WeakPolarHBondContact O-CB 3.46Å; E38-A42 PolarHBondContact O-N 3.12Å; V39-A42 WeakPolarHBondContact O-CB 3.47Å; V39-A42 PolarHBondContact O-N 3.1Å; A42-G46 PolarHBondContact O-N 3.47Å; A42-Y47 VanDerWaalsContact CA-CZ 3.46Å; A42-Y47 HydrophobicContact CB-CD2 3.63Å; A42-Y47 HydrophobicContact CB-CE2 3.27Å; A42-Y47 HydrophobicContact CB-CG 4.49Å; A42-Y47 PolarHBondContact O-N 2.91Å; A42-F48 HydrophobicContact CB-CB 3.98Å; A42-F48 HydrophobicContact CB-CD2 3.9Å; A42-F48 HydrophobicContact CB-CG 4.42Å; A42-F48 PolarHBondContact O-N 3.28Å; A42-F48 VanDerWaalsContact O-N 3.11Å
43V93.1Very high84.9Confident76 Ų7698.5 Ų98.546%0.46150%0.503SS..Hα-helixtrans-64.8-46177.8173.20000110.4V39 H40 R41 Q45 G46 F48V39-V43 VanDerWaalsContact O-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 3.45Å; H40-V43 PolarHBondContact O-N 3.21Å; R41-V43 VanDerWaalsContact C-N 3.33Å; R41-V43 PolarHBondContact O-N 2.97Å; V43-Q45 PolarHBondContact O-N 3.04Å; V43-G46 PolarHBondContact O-N 3.36Å; V43-F48 HydrophobicContact CB-CB 4.29Å; V43-F48 HydrophobicContact CB-CG 4.49Å; V43-F48 HydrophobicContact CG2-CB 3.66Å; V43-F48 HydrophobicContact CG2-CD1 3.34Å; V43-F48 HydrophobicContact CG2-CD2 3.96Å; V43-F48 HydrophobicContact CG2-CE1 3.87Å; V43-F48 HydrophobicContact CG2-CE2 4.46Å; V43-F48 HydrophobicContact CG2-CG 3.39Å; V43-F48 HydrophobicContact CG2-CZ 4.41Å
44K94.6Very high83.3Confident156 Ų156100.4 Ų100.468%0.67851%0.514SS*.Hα-helixtrans-67.5-35.3-179.2-72.7-64.8-175.5-175.40113.2H40 R41 G46H40-K44 WeakPolarHBondContact NE2-CE 3.17Å; H40-K44 WeakPolarHBondContact O-CB 3.31Å; H40-K44 VanDerWaalsContact O-CG 3.29Å; H40-K44 WeakPolarHBondContact O-CG 3.2Å; H40-K44 PolarHBondContact O-N 3.43Å; R41-K44 PolarHBondContact O-N 3.24Å; K44-G46 VanDerWaalsContact C-N 3.3Å
45Q91.5Very high81.7Confident112 Ų112107 Ų10752%0.52354%0.536SS..Hα-helixtrans-85.9-6.4178.8-68.1176.2-8.200112.1R41 V43 Y47R41-Q45 VanDerWaalsContact CG-CD 3.5Å; R41-Q45 HydrophobicContact CG-CG 4.31Å; R41-Q45 VanDerWaalsContact O-CB 3.26Å; R41-Q45 WeakPolarHBondContact O-CB 3.43Å; R41-Q45 WeakPolarHBondContact O-CG 3.44Å; R41-Q45 PolarHBondContact O-N 3.38Å; V43-Q45 PolarHBondContact O-N 3.04Å; Q45-Y47 HydrophobicContact CB-CD1 3.55Å; Q45-Y47 HydrophobicContact CB-CE1 3.25Å; Q45-Y47 HydrophobicContact CG-CE1 4.1Å; Q45-Y47 PolarHBondContact OE1-OH 3.01Å
46G86.4Confident80Confident57 Ų57108.4 Ų108.459%0.58854%0.544SS*.THydrogen-bonded Turntrans77.521.4172.500000114.6A42 V43 K44A42-G46 PolarHBondContact O-N 3.47Å; V43-G46 PolarHBondContact O-N 3.36Å; K44-G46 VanDerWaalsContact C-N 3.3Å
47Y84.4Confident78.5Confident93 Ų93105.8 Ų105.837%0.36553%0.527SS..  trans-1103.7172.960.3-99.5000114.3R41 A42 Q45 F49 L50R41-Y47 WeakPolarHBondContact CG-OH 3.49Å; R41-Y47 PolarHBondContact NE-OH 3.42Å; A42-Y47 VanDerWaalsContact CA-CZ 3.46Å; A42-Y47 HydrophobicContact CB-CD2 3.63Å; A42-Y47 HydrophobicContact CB-CE2 3.27Å; A42-Y47 HydrophobicContact CB-CG 4.49Å; A42-Y47 PolarHBondContact O-N 2.91Å; Q45-Y47 HydrophobicContact CB-CD1 3.55Å; Q45-Y47 HydrophobicContact CB-CE1 3.25Å; Q45-Y47 HydrophobicContact CG-CE1 4.1Å; Q45-Y47 PolarHBondContact OE1-OH 3.01Å; Y47-F49 PolarHBondContact O-N 3.11Å; Y47-L50 WeakPolarHBondContact O-CB 3.07Å; Y47-L50 PolarHBondContact O-N 2.87Å
48F79.7Confident77.1Confident83 Ų83103.7 Ų103.736%0.36452%0.521SS..THydrogen-bonded Turntrans-60.3125.9170.1-164.4-121.2000109.6V39 A42 V43V39-F48 HydrophobicContact CB-CE2 4.26Å; V39-F48 HydrophobicContact CG1-CD2 4.26Å; V39-F48 HydrophobicContact CG1-CE2 3.54Å; V39-F48 HydrophobicContact CG1-CZ 3.75Å; V39-F48 HydrophobicContact CG2-CE2 4.19Å; A42-F48 HydrophobicContact CB-CB 3.98Å; A42-F48 HydrophobicContact CB-CD2 3.9Å; A42-F48 HydrophobicContact CB-CG 4.42Å; A42-F48 PolarHBondContact O-N 3.28Å; A42-F48 VanDerWaalsContact O-N 3.11Å; V43-F48 HydrophobicContact CB-CB 4.29Å; V43-F48 HydrophobicContact CB-CG 4.49Å; V43-F48 HydrophobicContact CG2-CB 3.66Å; V43-F48 HydrophobicContact CG2-CD1 3.34Å; V43-F48 HydrophobicContact CG2-CD2 3.96Å; V43-F48 HydrophobicContact CG2-CE1 3.87Å; V43-F48 HydrophobicContact CG2-CE2 4.46Å; V43-F48 HydrophobicContact CG2-CG 3.39Å; V43-F48 HydrophobicContact CG2-CZ 4.41Å
49F67.1Low75.7Confident119 Ų119104.5 Ų104.552%0.52252%0.522SS..THydrogen-bonded Turntrans71.28.3-170.4-58.7-74.5000117.4Y47 D51 E52Y47-F49 PolarHBondContact O-N 3.11Å; F49-D51 PolarHBondContact O-N 3.49Å; F49-E52 HydrophobicContact CB-CB 4.44Å; F49-E52 HydrophobicContact CD1-CB 4.11Å; F49-E52 VanDerWaalsContact CD1-CD 3.4Å; F49-E52 HydrophobicContact CD1-CG 3.75Å; F49-E52 WeakPolarHBondContact CD1-OE2 3.47Å; F49-E52 HydrophobicContact CE1-CG 4.41Å; F49-E52 PolarHBondContact O-N 3.2Å
50L64Low74.3Confident116 Ų116108.5 Ų108.561%0.60754%0.537SS*.SBendtrans-69.7-24.5167.6-69.8-177.1000112.5Y47Y47-L50 WeakPolarHBondContact O-CB 3.07Å; Y47-L50 PolarHBondContact O-N 2.87Å
51D58.2Low72.6Confident154 Ų154109.6 Ų109.682%0.82454%0.541SS*.SBendtrans-82.2-13172.4-82.1-8.9000113.2F49 T53F49-D51 PolarHBondContact O-N 3.49Å; D51-T53 PolarHBondContact O-N 3.4Å
52E56.8Low71.7Confident147 Ų147108.4 Ų108.469%0.68754%0.541SS*.  trans-81.857.8166.8-72.5-158.3179.100109.8F49F49-E52 HydrophobicContact CB-CB 4.44Å; F49-E52 HydrophobicContact CD1-CB 4.11Å; F49-E52 VanDerWaalsContact CD1-CD 3.4Å; F49-E52 HydrophobicContact CD1-CG 3.75Å; F49-E52 WeakPolarHBondContact CD1-OE2 3.47Å; F49-E52 HydrophobicContact CE1-CG 4.41Å; F49-E52 PolarHBondContact O-N 3.2Å
53T56.3Low71Confident64 Ų64114.2 Ų114.239%0.39357%0.57SS.*  trans-72.3125.5159.829.10000106.6D51 Q55 S57 I58D51-T53 PolarHBondContact O-N 3.4Å; T53-Q55 PolarHBondContact O-N 3.21Å; T53-S57 VanDerWaalsContact C-OG 3.24Å; T53-S57 WeakPolarHBondContact CA-OG 3.41Å; T53-S57 WeakPolarHBondContact CB-OG 3.33Å; T53-I58 VanDerWaalsContact O-CD1 3.23Å; T53-I58 WeakPolarHBondContact O-CD1 3.48Å; T53-I58 WeakPolarHBondContact O-CG1 3.14Å; T53-I58 WeakPolarHBondContact OG1-CG1 3.26Å
54D64Low70.4Confident127 Ų127112.6 Ų112.668%0.67956%0.56SS**  trans-44.2142176-63.9-49.8000109.9D56 S57 I58D54-D56 PolarHBondContact O-N 3.47Å; D54-S57 PolarHBondContact N-OG 3.27Å; D54-S57 WeakPolarHBondContact O-CA 3.42Å; D54-S57 WeakPolarHBondContact O-CB 3.48Å; D54-S57 PolarHBondContact O-N 3.45Å; D54-S57 PolarHBondContact O-OG 2.92Å; D54-I58 PolarHBondContact O-N 2.9Å
55Q62.4Low69.6Low170 Ų170112.8 Ų112.879%0.79457%0.568SS**Hα-helixtrans-52.5-29.1-177.7-165.4171.831.800112.8T53 K59T53-Q55 PolarHBondContact O-N 3.21Å; Q55-K59 WeakPolarHBondContact O-CB 3.5Å; Q55-K59 PolarHBondContact O-N 3.33Å
56D59.8Low69Low135 Ų135113.5 Ų113.572%0.72257%0.572SS**Hα-helixtrans-68.9-37.7173.2-65.9-36.7000113.3D54 K59 E60D54-D56 PolarHBondContact O-N 3.47Å; D56-K59 PolarHBondContact O-N 2.95Å; D56-E60 PolarHBondContact O-N 3.01Å
57S63.4Low68.6Low22 Ų22117.2 Ų117.215%0.15459%0.586CS.*Hα-helixtrans-74-36176.364.20000112.3T53 D54 K59 E60 F61T53-S57 VanDerWaalsContact C-OG 3.24Å; T53-S57 WeakPolarHBondContact CA-OG 3.41Å; T53-S57 WeakPolarHBondContact CB-OG 3.33Å; D54-S57 PolarHBondContact N-OG 3.27Å; D54-S57 WeakPolarHBondContact O-CA 3.42Å; D54-S57 WeakPolarHBondContact O-CB 3.48Å; D54-S57 PolarHBondContact O-N 3.45Å; D54-S57 PolarHBondContact O-OG 2.92Å; S57-K59 PolarHBondContact O-N 3.22Å; S57-E60 PolarHBondContact O-N 3.41Å; S57-E60 VanDerWaalsContact O-N 3.16Å; S57-F61 WeakPolarHBondContact O-CD2 3.5Å; S57-F61 PolarHBondContact O-N 2.96Å; S57-F61 VanDerWaalsContact O-N 3.11Å
58I66.4Low68.5Low93 Ų93116 Ų11648%0.47760%0.601SS.*Hα-helixtrans-59.9-38.2171.5-60.9168.6000110.3T53 D54 F61 E62T53-I58 VanDerWaalsContact O-CD1 3.23Å; T53-I58 WeakPolarHBondContact O-CD1 3.48Å; T53-I58 WeakPolarHBondContact O-CG1 3.14Å; T53-I58 WeakPolarHBondContact OG1-CG1 3.26Å; D54-I58 PolarHBondContact O-N 2.9Å; I58-F61 CarbonylContact O-C 3.56Å; I58-F61 PolarHBondContact O-N 2.85Å; I58-E62 PolarHBondContact O-N 3.12Å; I58-E62 VanDerWaalsContact O-N 3.1Å
59K65.9Low68.7Low149 Ų149113.8 Ų113.865%0.64860%0.595SS**Hα-helixtrans-72.9-32.3176.8-161.7174.8-174.2176.40113.2Q55 D56 S57 F61 E62Q55-K59 WeakPolarHBondContact O-CB 3.5Å; Q55-K59 PolarHBondContact O-N 3.33Å; D56-K59 PolarHBondContact O-N 2.95Å; S57-K59 PolarHBondContact O-N 3.22Å; K59-F61 VanDerWaalsContact C-N 3.28Å; K59-F61 PolarHBondContact O-N 3.11Å; K59-E62 WeakPolarHBondContact O-CB 3.13Å; K59-E62 PolarHBondContact O-N 3Å
60E62.8Low69.5Low142 Ų142110.8 Ų110.866%0.66458%0.584SS**Hα-helixtrans-67.8-29174.1-172.1171.3-160.700112.4D56 S57D56-E60 PolarHBondContact O-N 3.01Å; S57-E60 PolarHBondContact O-N 3.41Å; S57-E60 VanDerWaalsContact O-N 3.16Å
61F61.6Low70.5Confident127 Ų127109.9 Ų109.956%0.55758%0.578SS**THydrogen-bonded Turntrans-101.711.1175.9-58.4-65.7000113.9S57 I58 K59 I63 F72S57-F61 WeakPolarHBondContact O-CD2 3.5Å; S57-F61 PolarHBondContact O-N 2.96Å; S57-F61 VanDerWaalsContact O-N 3.11Å; I58-F61 CarbonylContact O-C 3.56Å; I58-F61 PolarHBondContact O-N 2.85Å; K59-F61 VanDerWaalsContact C-N 3.28Å; K59-F61 PolarHBondContact O-N 3.11Å; F61-I63 PolarHBondContact O-N 2.85Å; F61-F72 HydrophobicContact CD1-CE1 4.38Å
62E74.9Confident71.6Confident124 Ų124107.8 Ų107.858%0.57956%0.562SS**  trans-62.7121.8174.8-171.2177-177.900109.1I58 K59 V64I58-E62 PolarHBondContact O-N 3.12Å; I58-E62 VanDerWaalsContact O-N 3.1Å; K59-E62 WeakPolarHBondContact O-CB 3.13Å; K59-E62 PolarHBondContact O-N 3Å; E62-V64 PolarHBondContact O-N 2.86Å; E62-V64 VanDerWaalsContact O-N 3.12Å
63I77.4Confident72.7Confident132 Ų132102.4 Ų102.468%0.67755%0.546SS*.  trans-69113.6-177-61.8171000108.3F61 D65 I71F61-I63 PolarHBondContact O-N 2.85Å; I63-D65 PolarHBondContact O-N 3.45Å; I63-I71 WeakPolarHBondContact CA-O 3.41Å; I63-I71 HydrophobicContact CG2-CB 4.24Å; I63-I71 HydrophobicContact CG2-CG2 4.22Å
64V80.6Confident73.8Confident43 Ų43104.9 Ų104.926%0.26155%0.553SS.*  trans-85.2110.5177.4-177.20000109.4E62 Q66 V69 I71E62-V64 PolarHBondContact O-N 2.86Å; E62-V64 VanDerWaalsContact O-N 3.12Å; V64-Q66 HydrophobicContact CG1-CB 4.03Å; V64-Q66 HydrophobicContact CG1-CG 3.87Å; V64-Q66 PolarHBondContact O-N 3.28Å; V64-V69 HydrophobicContact CG1-CG2 4.3Å; V64-I71 PolarHBondContact N-O 3.3Å
65D78.2Confident74.6Confident159 Ų159103.5 Ų103.585%0.8555%0.549SS*.  trans-95.278172-168.517000110.4I63I63-D65 PolarHBondContact O-N 3.45Å
66Q79Confident75Confident127 Ų127102.1 Ų102.159%0.59354%0.541SS*.  trans-128.6135.3175.2-72.4-179.437.200110.6V64 G68 V69V64-Q66 HydrophobicContact CG1-CB 4.03Å; V64-Q66 HydrophobicContact CG1-CG 3.87Å; V64-Q66 PolarHBondContact O-N 3.28Å; Q66-G68 PolarHBondContact O-N 2.8Å; Q66-V69 HydrophobicContact CB-CG2 3.44Å; Q66-V69 VanDerWaalsContact CB-CG2 3.44Å; Q66-V69 VanDerWaalsContact O-CG2 3.27Å; Q66-V69 WeakPolarHBondContact O-CG2 3.27Å; Q66-V69 PolarHBondContact O-N 3.27Å
67P77.8Confident75.5Confident136 Ų136100 Ų10088%0.88353%0.53SS*.THydrogen-bonded Turntrans-65.6126.6179.625.5-32.4000111.1
68G81.7Confident75.4Confident67 Ų67105.8 Ų105.869%0.69155%0.554SS**THydrogen-bonded Turntrans96.9-2.9176.100000115.5Q66Q66-G68 PolarHBondContact O-N 2.8Å
69V83.9Confident75.1Confident37 Ų37112.2 Ų112.222%0.22457%0.573CS.*BIsolated β-bridgetrans-119.4156.2169.8-77.90000109.9V64 Q66 G73 Q74 V75V64-V69 HydrophobicContact CG1-CG2 4.3Å; Q66-V69 HydrophobicContact CB-CG2 3.44Å; Q66-V69 VanDerWaalsContact CB-CG2 3.44Å; Q66-V69 VanDerWaalsContact O-CG2 3.27Å; Q66-V69 WeakPolarHBondContact O-CG2 3.27Å; Q66-V69 PolarHBondContact O-N 3.27Å; V69-G73 WeakPolarHBondContact CG1-O 3.29Å; V69-Q74 WeakPolarHBondContact CA-O 3.48Å; V69-V75 HydrophobicContact CG1-CB 4.47Å; V69-V75 HydrophobicContact CG1-CG2 3.77Å
70D84Confident75.2Confident56 Ų56111.3 Ų111.330%0.29957%0.568SS.*  trans-76.3176.7172.468.717000111.8F72 G73 Q74D70-F72 PolarHBondContact O-N 3.49Å; D70-F72 WeakPolarHBondContact OD1-CA 3.42Å; D70-F72 WeakPolarHBondContact OD1-CB 3.5Å; D70-F72 PolarHBondContact OD1-N 2.9Å; D70-G73 PolarHBondContact O-N 3.43Å; D70-G73 PolarHBondContact OD1-N 3.3Å; D70-Q74 PolarHBondContact N-O 2.79Å; D70-Q74 WeakPolarHBondContact OD1-CB 3.45Å; D70-Q74 PolarHBondContact OD1-N 3.41Å
71I84.7Confident75.7Confident96 Ų96110 Ų11049%0.49257%0.566SS.*THydrogen-bonded Turntrans-58.3-14.4179.656.7166.2000114I63 V64I63-I71 WeakPolarHBondContact CA-O 3.41Å; I63-I71 HydrophobicContact CG2-CB 4.24Å; I63-I71 HydrophobicContact CG2-CG2 4.22Å; V64-I71 PolarHBondContact N-O 3.3Å
72F82.1Confident76.7Confident111 Ų111111.3 Ų111.349%0.48757%0.572SS.*THydrogen-bonded Turntrans-103.212.5176.2-55.8-69.7000112F61 D70 Q74F61-F72 HydrophobicContact CD1-CE1 4.38Å; D70-F72 PolarHBondContact O-N 3.49Å; D70-F72 WeakPolarHBondContact OD1-CA 3.42Å; D70-F72 WeakPolarHBondContact OD1-CB 3.5Å; D70-F72 PolarHBondContact OD1-N 2.9Å; F72-Q74 HydrophobicContact CB-CG 4.44Å; F72-Q74 PolarHBondContact O-N 3.33Å
73G79.2Confident77.5Confident33 Ų33112.2 Ų112.234%0.3458%0.576SS.*SBendtrans70.211.7-177.600000114.3V69 D70V69-G73 WeakPolarHBondContact CG1-O 3.29Å; D70-G73 PolarHBondContact O-N 3.43Å; D70-G73 PolarHBondContact OD1-N 3.3Å
74Q80.1Confident78.1Confident116 Ų116108 Ų10854%0.54256%0.557SS.*  trans-85.1132178.3-58.4-174.19.800110.9V69 D70 F72 F76V69-Q74 WeakPolarHBondContact CA-O 3.48Å; D70-Q74 PolarHBondContact N-O 2.79Å; D70-Q74 WeakPolarHBondContact OD1-CB 3.45Å; D70-Q74 PolarHBondContact OD1-N 3.41Å; F72-Q74 HydrophobicContact CB-CG 4.44Å; F72-Q74 PolarHBondContact O-N 3.33Å; Q74-F76 PolarHBondContact O-N 2.84Å
75V81.4Confident78.7Confident98 Ų98110.8 Ų110.859%0.59457%0.568SS**BIsolated β-bridgetrans-66.7126.6173.4-178.50000108.9V69 N77V69-V75 HydrophobicContact CG1-CB 4.47Å; V69-V75 HydrophobicContact CG1-CG2 3.77Å; V75-N77 VanDerWaalsContact C-N 3.31Å; V75-N77 PolarHBondContact O-N 2.92Å
76F69.8Low79.4Confident142 Ų142103.2 Ų103.262%0.62353%0.527SS*.  trans-69.885.4-178.8-172.3-116.5000111.4Q74 Q78Q74-F76 PolarHBondContact O-N 2.84Å; F76-Q78 HydrophobicContact CD1-CG 3.34Å; F76-Q78 HydrophobicContact CE1-CB 4.45Å; F76-Q78 HydrophobicContact CE1-CG 3.17Å; F76-Q78 HydrophobicContact CG-CG 4.42Å; F76-Q78 HydrophobicContact CZ-CG 4.12Å; F76-Q78 PolarHBondContact O-N 3.26Å
77N69.6Low80Confident91 Ų91102.3 Ų102.349%0.48753%0.532SS..  trans-73.390.4172.6-84.9-23.6000110.1V75 W79 K80V75-N77 VanDerWaalsContact C-N 3.31Å; V75-N77 PolarHBondContact O-N 2.92Å; N77-W79 PolarHBondContact O-N 2.99Å; N77-W79 VanDerWaalsContact O-N 3.08Å; N77-K80 HydrophobicContact CB-CD 4.33Å; N77-K80 HydrophobicContact CB-CG 4.26Å
78Q63.1Low80.5Confident143 Ų143100 Ų10067%0.66851%0.513SS*.THydrogen-bonded Turntrans-59-15.8175-70.7-177.724.400114F76F76-Q78 HydrophobicContact CD1-CG 3.34Å; F76-Q78 HydrophobicContact CE1-CB 4.45Å; F76-Q78 HydrophobicContact CE1-CG 3.17Å; F76-Q78 HydrophobicContact CG-CG 4.42Å; F76-Q78 HydrophobicContact CZ-CG 4.12Å; F76-Q78 PolarHBondContact O-N 3.26Å
79W59.3Low81Confident228 Ų22899.2 Ų99.286%0.86450%0.496SS*.THydrogen-bonded Turntrans-96.1-10.3-169.2-69.1-56.7000116.2N77 N81N77-W79 PolarHBondContact O-N 2.99Å; N77-W79 VanDerWaalsContact O-N 3.08Å; W79-N81 PolarHBondContact O-N 2.97Å; W79-N81 VanDerWaalsContact O-N 3.08Å
80K67.3Low81.3Confident129 Ų129104.7 Ų104.756%0.56152%0.517SS*.SBendtrans-81.692.117250.9-175.9179.9-176.90108.7N77 K82N77-K80 HydrophobicContact CB-CD 4.33Å; N77-K80 HydrophobicContact CB-CG 4.26Å; K80-K82 PolarHBondContact O-N 3.08Å
81N73.4Confident81.7Confident115 Ų115109.4 Ų109.462%0.61553%0.53SS*.  trans-53.5104.3173-68.7-39.6000108.8W79 E83W79-N81 PolarHBondContact O-N 2.97Å; W79-N81 VanDerWaalsContact O-N 3.08Å; N81-E83 PolarHBondContact O-N 2.98Å
82K84.2Confident82.2Confident155 Ų155111.3 Ų111.367%0.67454%0.535SS*.  trans-67.9129.2172-64.1-176.1-179.9-176.60107.4K80 A95K80-K82 PolarHBondContact O-N 3.08Å; K82-A95 HydrophobicContact CB-CB 4.23Å; K82-A95 VanDerWaalsContact O-CB 3.23Å; K82-A95 WeakPolarHBondContact O-CB 3.23Å; K82-A95 PolarHBondContact O-N 3.08Å
83E90.5Very high82.6Confident143 Ų143106.9 Ų106.967%0.66852%0.516SS*.EExtended strand (participates in β ladder)trans-94.2139.2175.3-63.8-175169.700109.7N81N81-E83 PolarHBondContact O-N 2.98Å
84C90.3Very high83.3Confident43 Ų43106.4 Ų106.429%0.29151%0.51SS..EExtended strand (participates in β ladder)trans-123.5139.3-179.3-55.10000109.2F92 I93 F98C84-F92 WeakPolarHBondContact O-CA 3.28Å; C84-I93 PolarHBondContact N-O 2.89Å; C84-I93 PolarHBondContact O-N 2.79Å; C84-F98 HydrophobicContact CB-CD2 3.88Å; C84-F98 HydrophobicContact CB-CE2 4Å; C84-F98 HydrophobicContact CB-CG 4.41Å
85E93.9Very high83.8Confident101 Ų101103.1 Ų103.147%0.47250%0.502SS..EExtended strand (participates in β ladder)trans-84.2128.3174-171.2-179.5167.600110.2P87 F92E85-P87 WeakPolarHBondContact O-CD 3.42Å; E85-F92 HydrophobicContact CB-CD1 4.22Å; E85-F92 HydrophobicContact CB-CE1 4.01Å; E85-F92 HydrophobicContact CG-CE1 4.39Å
86C93.1Very high84.2Confident0 Ų0102.7 Ų102.70%050%0.504CS..  trans-72.8122.7173.2176.60000110.6N88 K90 R91 F98 H101C86-N88 PolarHBondContact O-N 2.74Å; C86-N88 VanDerWaalsContact O-N 3.12Å; C86-N88 PolarHBondContact SG-N 3.45Å; C86-N88 VanDerWaalsContact SG-N 3.45Å; C86-K90 WeakPolarHBondContact O-CA 3.38Å; C86-K90 PolarHBondContact O-N 2.78Å; C86-R91 PolarHBondContact N-O 3.37Å; C86-F98 HydrophobicContact CB-CE2 4.14Å; C86-H101 VanDerWaalsContact CB-NE2 3.28Å; C86-H101 WeakPolarHBondContact CB-NE2 3.5Å; C86-H101 PolarHBondContact SG-NE2 2.81Å
87P90.9Very high85.2Confident108 Ų108104 Ų10470%0.70150%0.504SS*.THydrogen-bonded Turntrans-65.4-19.5-179.325.6-34.2000113.6E85E85-P87 WeakPolarHBondContact O-CD 3.42Å
88N88.4Confident86.3Confident89 Ų89102 Ų10248%0.47649%0.491SS..THydrogen-bonded Turntrans-90.6-50.5-177.7-1723.1000112.5C86 C105C86-N88 PolarHBondContact O-N 2.74Å; C86-N88 VanDerWaalsContact O-N 3.12Å; C86-N88 PolarHBondContact SG-N 3.45Å; C86-N88 VanDerWaalsContact SG-N 3.45Å; N88-C105 PolarHBondContact ND2-O 3.14Å
89C92.3Very high87.6Confident50 Ų5098.1 Ų98.134%0.33848%0.484SS..THydrogen-bonded Turntrans-106.94.3-179.278.30000114.8R91 H101C89-R91 PolarHBondContact O-N 3.44Å; C89-R91 VanDerWaalsContact SG-CB 3.51Å; C89-H101 PolarHBondContact SG-CE1 3.12Å; C89-H101 PolarHBondContact SG-NE2 2.94Å
90K90.4Very high89Confident151 Ų15190.3 Ų90.366%0.65746%0.463SS*.  trans50.226.8179.8-58.6-172.4-179.4-176.90115.1C86C86-K90 WeakPolarHBondContact O-CA 3.38Å; C86-K90 PolarHBondContact O-N 2.78Å
91R92.4Very high90.2Very high156 Ų15685.4 Ų85.459%0.58944%0.442SS*.  trans-90.6135.4178.5-163.6178-66.1152.5-0.2108.3C86 C89 I93C86-R91 PolarHBondContact N-O 3.37Å; C89-R91 PolarHBondContact O-N 3.44Å; C89-R91 VanDerWaalsContact SG-CB 3.51Å; R91-I93 HydrophobicContact CB-CD1 4.21Å; R91-I93 HydrophobicContact CG-CD1 3.99Å; R91-I93 PolarHBondContact O-N 3.16Å
92F93.5Very high91Very high135 Ų13582.1 Ų82.159%0.59242%0.424SS*.EExtended strand (participates in β ladder)trans-71.4124.3168.4-66.5-76.9000109.5C84 E85C84-F92 WeakPolarHBondContact O-CA 3.28Å; E85-F92 HydrophobicContact CB-CD1 4.22Å; E85-F92 HydrophobicContact CB-CE1 4.01Å; E85-F92 HydrophobicContact CG-CE1 4.39Å
93I92.6Very high91.2Very high18 Ų1880.4 Ų80.49%0.09242%0.418CS..EExtended strand (participates in β ladder)trans-131.3134.5-177.4-54.1-67.5000107.2C84 R91 A95 R97 F98 H101C84-I93 PolarHBondContact N-O 2.89Å; C84-I93 PolarHBondContact O-N 2.79Å; R91-I93 HydrophobicContact CB-CD1 4.21Å; R91-I93 HydrophobicContact CG-CD1 3.99Å; R91-I93 PolarHBondContact O-N 3.16Å; I93-A95 PolarHBondContact O-N 3.37Å; I93-R97 HydrophobicContact CG2-CB 4.06Å; I93-F98 HydrophobicContact CB-CD2 4.19Å; I93-H101 HydrophobicContact CG1-CB 4.37Å; I93-H101 HydrophobicContact CG2-CB 4.11Å
94A92.8Very high91.1Very high24 Ų2481.3 Ų81.320%0.19842%0.42CS..EExtended strand (participates in β ladder)trans-54.2135.8170.700000110.6S96 R97 F98A94-S96 PolarHBondContact O-N 3.19Å; A94-S96 VanDerWaalsContact O-N 3.12Å; A94-R97 CarbonylContact O-C 3.49Å; A94-R97 WeakPolarHBondContact O-CA 3.46Å; A94-R97 PolarHBondContact O-N 3.47Å; A94-F98 PolarHBondContact O-N 3.12Å; A94-F98 VanDerWaalsContact O-N 3.14Å
95A91.1Very high91Very high46 Ų4681 Ų8138%0.3842%0.417SS..G310 helixtrans-51.9-39.6-177.800000112K82 I93 R97 F98K82-A95 HydrophobicContact CB-CB 4.23Å; K82-A95 VanDerWaalsContact O-CB 3.23Å; K82-A95 WeakPolarHBondContact O-CB 3.23Å; K82-A95 PolarHBondContact O-N 3.08Å; I93-A95 PolarHBondContact O-N 3.37Å; A95-R97 PolarHBondContact O-N 2.83Å; A95-R97 VanDerWaalsContact O-N 3.16Å; A95-F98 WeakPolarHBondContact O-CB 3.08Å; A95-F98 PolarHBondContact O-N 3.14Å
96S89.5Confident90.6Very high90 Ų9080.7 Ų80.763%0.62942%0.419SS*.G310 helixtrans-60.7-23.117658.50000114.2A94A94-S96 PolarHBondContact O-N 3.19Å; A94-S96 VanDerWaalsContact O-N 3.12Å
97R90.6Very high89.8Confident169 Ų16983.5 Ų83.564%0.63845%0.448SS*.G310 helixtrans-112.36.2-178.3-57.4-179.473.8-129.17112.8I93 A94 A95 P100 H101I93-R97 HydrophobicContact CG2-CB 4.06Å; A94-R97 CarbonylContact O-C 3.49Å; A94-R97 WeakPolarHBondContact O-CA 3.46Å; A94-R97 PolarHBondContact O-N 3.47Å; A95-R97 PolarHBondContact O-N 2.83Å; A95-R97 VanDerWaalsContact O-N 3.16Å; R97-P100 WeakPolarHBondContact O-CD 3.45Å; R97-H101 WeakPolarHBondContact O-CB 3.29Å; R97-H101 PolarHBondContact O-N 2.97Å
98F92.2Very high88.7Confident48 Ų4886.5 Ų86.521%0.21146%0.455CS..Hα-helixtrans-66.5-43.8-177.3-164.3-112.7000111.8C84 C86 I93 A94 A95 H101 L102C84-F98 HydrophobicContact CB-CD2 3.88Å; C84-F98 HydrophobicContact CB-CE2 4Å; C84-F98 HydrophobicContact CB-CG 4.41Å; C86-F98 HydrophobicContact CB-CE2 4.14Å; I93-F98 HydrophobicContact CB-CD2 4.19Å; A94-F98 PolarHBondContact O-N 3.12Å; A94-F98 VanDerWaalsContact O-N 3.14Å; A95-F98 WeakPolarHBondContact O-CB 3.08Å; A95-F98 PolarHBondContact O-N 3.14Å; F98-H101 WeakPolarHBondContact O-CB 3.36Å; F98-H101 PolarHBondContact O-N 2.98Å; F98-L102 HydrophobicContact CD1-CD1 3.72Å; F98-L102 HydrophobicContact CD1-CG 4.09Å; F98-L102 HydrophobicContact CE1-CD1 3.52Å; F98-L102 HydrophobicContact CE1-CD2 4.17Å; F98-L102 HydrophobicContact CE1-CG 3.95Å; F98-L102 HydrophobicContact CZ-CD1 4.3Å; F98-L102 HydrophobicContact CZ-CD2 4.12Å; F98-L102 HydrophobicContact CZ-CG 4.31Å; F98-L102 WeakPolarHBondContact O-CG 3.32Å; F98-L102 PolarHBondContact O-N 3.24Å
99A91Very high87.5Confident62 Ų6283.3 Ų83.351%0.51244%0.443SS..Hα-helixtrans-62-51.1177.900000113.5H101 L102 E103A99-H101 PolarHBondContact O-N 2.78Å; A99-H101 VanDerWaalsContact O-N 3.14Å; A99-L102 PolarHBondContact O-N 3.3Å; A99-L102 VanDerWaalsContact O-N 3.13Å; A99-E103 PolarHBondContact O-N 3.5Å; A99-E103 VanDerWaalsContact O-N 3.13Å
100P89.3Confident86.3Confident65 Ų6590.8 Ų90.842%0.42246%0.464SS..Hα-helixtrans-59.5-25.8173.7-24.832.4000114.4R97R97-P100 WeakPolarHBondContact O-CD 3.45Å
101H91.8Very high84.9Confident26 Ų2688.1 Ų88.112%0.1246%0.457CS..Hα-helixtrans-74.7-47.6174.1170.570.5000111.5C86 C89 I93 R97 F98 A99 E103 K104 C105C86-H101 VanDerWaalsContact CB-NE2 3.28Å; C86-H101 WeakPolarHBondContact CB-NE2 3.5Å; C86-H101 PolarHBondContact SG-NE2 2.81Å; C89-H101 PolarHBondContact SG-CE1 3.12Å; C89-H101 PolarHBondContact SG-NE2 2.94Å; I93-H101 HydrophobicContact CG1-CB 4.37Å; I93-H101 HydrophobicContact CG2-CB 4.11Å; R97-H101 WeakPolarHBondContact O-CB 3.29Å; R97-H101 PolarHBondContact O-N 2.97Å; F98-H101 WeakPolarHBondContact O-CB 3.36Å; F98-H101 PolarHBondContact O-N 2.98Å; A99-H101 PolarHBondContact O-N 2.78Å; A99-H101 VanDerWaalsContact O-N 3.14Å; H101-E103 VanDerWaalsContact C-N 3.32Å; H101-E103 PolarHBondContact O-N 3.03Å; H101-K104 PolarHBondContact O-N 2.89Å; H101-K104 VanDerWaalsContact O-N 3.11Å; H101-C105 VanDerWaalsContact O-CB 3.27Å; H101-C105 WeakPolarHBondContact O-CB 3.46Å; H101-C105 PolarHBondContact O-N 3.21Å
102L90.3Very high83.6Confident45 Ų4585.3 Ų85.324%0.23646%0.461CS..Hα-helixtrans-59.1-40.7179.1-73.2-178.5000112.3F98 A99 K104 C105 L106F98-L102 HydrophobicContact CD1-CD1 3.72Å; F98-L102 HydrophobicContact CD1-CG 4.09Å; F98-L102 HydrophobicContact CE1-CD1 3.52Å; F98-L102 HydrophobicContact CE1-CD2 4.17Å; F98-L102 HydrophobicContact CE1-CG 3.95Å; F98-L102 HydrophobicContact CZ-CD1 4.3Å; F98-L102 HydrophobicContact CZ-CD2 4.12Å; F98-L102 HydrophobicContact CZ-CG 4.31Å; F98-L102 WeakPolarHBondContact O-CG 3.32Å; F98-L102 PolarHBondContact O-N 3.24Å; A99-L102 PolarHBondContact O-N 3.3Å; A99-L102 VanDerWaalsContact O-N 3.13Å; L102-K104 PolarHBondContact O-N 3.13Å; L102-C105 PolarHBondContact O-N 3.14Å; L102-L106 HydrophobicContact CB-CD1 4.2Å; L102-L106 HydrophobicContact CD2-CD1 4.25Å; L102-L106 VanDerWaalsContact O-CB 3.28Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 PolarHBondContact O-N 3.29Å
103E89.1Confident82.2Confident119 Ų11981.7 Ų81.756%0.55645%0.452SS*.Hα-helixtrans-55.9-37.4175.8-71177-17300113A99 H101 G109A99-E103 PolarHBondContact O-N 3.5Å; A99-E103 VanDerWaalsContact O-N 3.13Å; H101-E103 VanDerWaalsContact C-N 3.32Å; H101-E103 PolarHBondContact O-N 3.03Å; E103-G109 PolarHBondContact O-N 3.07Å
104K87.6Confident81.1Confident163 Ų16389 Ų8971%0.70948%0.479SS*.Hα-helixtrans-84.4-38.5178.7-64.6176.3-172.5175.90111.9H101 L102 G107H101-K104 PolarHBondContact O-N 2.89Å; H101-K104 VanDerWaalsContact O-N 3.11Å; L102-K104 PolarHBondContact O-N 3.13Å; K104-G107 PolarHBondContact O-N 3.17Å
105C88.2Confident79.8Confident35 Ų3591 Ų9124%0.23649%0.486CS..Hα-helixtrans-74.2-37.8-175.1-1650000112.1N88 H101 L102 G107N88-C105 PolarHBondContact ND2-O 3.14Å; H101-C105 VanDerWaalsContact O-CB 3.27Å; H101-C105 WeakPolarHBondContact O-CB 3.46Å; H101-C105 PolarHBondContact O-N 3.21Å; L102-C105 PolarHBondContact O-N 3.14Å; C105-G107 VanDerWaalsContact C-N 3.32Å
106L85.1Confident78.4Confident95 Ų9591 Ų9150%0.49749%0.486SS..SBendtrans-85.3-5.1176.7-65.3168.4000112.7L102 M108L102-L106 HydrophobicContact CB-CD1 4.2Å; L102-L106 HydrophobicContact CD2-CD1 4.25Å; L102-L106 VanDerWaalsContact O-CB 3.28Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 PolarHBondContact O-N 3.29Å; L106-M108 PolarHBondContact O-N 3.3Å; L106-M108 VanDerWaalsContact O-N 3.09Å
107G77.3Confident77.3Confident60 Ų6092 Ų9262%0.61948%0.484SS*.SBendtrans68.85.1177.700000115.3K104 C105 G109K104-G107 PolarHBondContact O-N 3.17Å; C105-G107 VanDerWaalsContact C-N 3.32Å; G107-G109 PolarHBondContact O-N 3.45Å
108M66.8Low76.3Confident170 Ų17093.2 Ų93.284%0.83749%0.489SS*.  trans-72.6-8.1173.8-85159.762.200113.5L106L106-M108 PolarHBondContact O-N 3.3Å; L106-M108 VanDerWaalsContact O-N 3.09Å
109G64.6Low75.2Confident22 Ų2299.4 Ų99.423%0.22751%0.51CS..SBendtrans-83.7156.3177.400000114.7E103 G107 N111E103-G109 PolarHBondContact O-N 3.07Å; G107-G109 PolarHBondContact O-N 3.45Å; G109-N111 PolarHBondContact O-N 3.42Å
110R66.6Low73.8Confident208 Ų208102 Ų10279%0.78552%0.515SS*.THydrogen-bonded Turntrans-59.856176.9-61.2172.2174140.8-5.4114.9R114R110-R114 PolarHBondContact O-NE 3.37Å; R110-R114 VanDerWaalsContact O-NE 3.15Å
111N60.7Low72.3Confident95 Ų95102 Ų10251%0.50852%0.52SS..THydrogen-bonded Turntrans-105.9-38.3179.8-139.519.6000111.4G109 S113 R114 I115G109-N111 PolarHBondContact O-N 3.42Å; N111-S113 VanDerWaalsContact C-N 3.32Å; N111-S113 PolarHBondContact O-N 3.29Å; N111-R114 PolarHBondContact O-N 2.88Å; N111-I115 HydrophobicContact CB-CD1 4.44Å; N111-I115 WeakPolarHBondContact O-CD1 3.39Å; N111-I115 PolarHBondContact O-N 2.83Å
112S65.4Low70.9Confident97 Ų97105.1 Ų105.168%0.67854%0.542SS*.Hα-helixtrans-56.7-43.5175.152.80000112.5I115 A116S112-I115 PolarHBondContact O-N 3Å; S112-A116 VanDerWaalsContact O-CB 3.32Å; S112-A116 WeakPolarHBondContact O-CB 3.23Å; S112-A116 PolarHBondContact O-N 3.09Å
113S64.9Low69.4Low58 Ų58108.8 Ų108.841%0.40656%0.562SS.*Hα-helixtrans-64.9-39177.351.50000113.5N111 A116 N117N111-S113 VanDerWaalsContact C-N 3.32Å; N111-S113 PolarHBondContact O-N 3.29Å; S113-A116 PolarHBondContact O-N 2.9Å; S113-N117 PolarHBondContact O-N 3.26Å
114R67.8Low68Low171 Ų171109.1 Ų109.165%0.64557%0.567SS**Hα-helixtrans-70.5-36.3175.4-67.2-168.1-128.1-149.81.6112.4R110 N111 R118R110-R114 PolarHBondContact O-NE 3.37Å; R110-R114 VanDerWaalsContact O-NE 3.15Å; N111-R114 PolarHBondContact O-N 2.88Å; R114-R118 WeakPolarHBondContact O-CB 3.41Å; R114-R118 PolarHBondContact O-N 3.26Å; R114-R118 VanDerWaalsContact O-N 3.17Å
115I66.8Low66.6Low68 Ų68108.2 Ų108.235%0.34957%0.57SS.*Hα-helixtrans-69.1-40.5174-83.283.7000110.6N111 S112 R118 R119N111-I115 HydrophobicContact CB-CD1 4.44Å; N111-I115 WeakPolarHBondContact O-CD1 3.39Å; N111-I115 PolarHBondContact O-N 2.83Å; S112-I115 PolarHBondContact O-N 3Å; I115-R118 PolarHBondContact O-N 3.41Å; I115-R119 WeakPolarHBondContact O-CG 3.44Å; I115-R119 PolarHBondContact O-N 3.28Å
116A62.2Low65.2Low46 Ų46113.9 Ų113.938%0.3860%0.596SS.*Hα-helixtrans-62.8-47.417700000111.9S112 S113 R118 R119 L120S112-A116 VanDerWaalsContact O-CB 3.32Å; S112-A116 WeakPolarHBondContact O-CB 3.23Å; S112-A116 PolarHBondContact O-N 3.09Å; S113-A116 PolarHBondContact O-N 2.9Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 2.08Å; A116-R119 PolarHBondContact O-N 3.15Å; A116-R119 VanDerWaalsContact O-N 3.1Å; A116-L120 WeakPolarHBondContact O-CG 3.42Å; A116-L120 PolarHBondContact O-N 3.4Å
117N64.6Low63.8Low111 Ų111113.2 Ų113.259%0.59460%0.599SS**Hα-helixtrans-63.6-35.3177.1-76.3-2.2000112.7S113 A121S113-N117 PolarHBondContact O-N 3.26Å; N117-A121 PolarHBondContact O-N 3.47Å
118R70.8Confident62.3Low194 Ų194120.4 Ų120.473%0.73261%0.614SS**Hα-helixtrans-63.8-41.3173.3-173.5-179.4-67.1-133.4-1.3111.6R114 I115 A116 A121 T122R114-R118 WeakPolarHBondContact O-CB 3.41Å; R114-R118 PolarHBondContact O-N 3.26Å; R114-R118 VanDerWaalsContact O-N 3.17Å; I115-R118 PolarHBondContact O-N 3.41Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 2.08Å; R118-A121 PolarHBondContact O-N 3.44Å; R118-T122 PolarHBondContact O-N 3.36Å; R118-T122 PolarHBondContact O-OG1 3.44Å
119R68.2Low61.5Low177 Ų177117.5 Ų117.567%0.66861%0.61SS**Hα-helixtrans-66.1-41.2179.1-71.8174.8-178.6-172.50.4112.2I115 A116 T122 N123I115-R119 WeakPolarHBondContact O-CG 3.44Å; I115-R119 PolarHBondContact O-N 3.28Å; A116-R119 PolarHBondContact O-N 3.15Å; A116-R119 VanDerWaalsContact O-N 3.1Å; R119-T122 WeakPolarHBondContact CA-OG1 3.32Å; R119-T122 PolarHBondContact O-N 3.43Å; R119-T122 PolarHBondContact O-OG1 3.49Å; R119-N123 PolarHBondContact O-N 3.1Å
120L61.3Low60.7Low116 Ų116125.5 Ų125.561%0.60764%0.642SS**Hα-helixtrans-63.7-39.4177.4-69.2168.4000112.4A116A116-L120 WeakPolarHBondContact O-CG 3.42Å; A116-L120 PolarHBondContact O-N 3.4Å
121A58.6Low59.5Low65 Ų65120.9 Ų120.954%0.53764%0.641SS.*Hα-helixtrans-69.4-32.4177.200000113.4N117 R118N117-A121 PolarHBondContact O-N 3.47Å; R118-A121 PolarHBondContact O-N 3.44Å
122T62.6Low59.4Low93 Ų93123.9 Ų123.957%0.57166%0.657SS**Hα-helixtrans-77.9-29.7177.430.10000114.3R118 R119R118-T122 PolarHBondContact O-N 3.36Å; R118-T122 PolarHBondContact O-OG1 3.44Å; R119-T122 WeakPolarHBondContact CA-OG1 3.32Å; R119-T122 PolarHBondContact O-N 3.43Å; R119-T122 PolarHBondContact O-OG1 3.49Å
123N58.8Low58.5Low122 Ų122127 Ų12765%0.65266%0.661SS**Hα-helixtrans-77.8-22.5-179.5-100.26.8000113.8R119 N125R119-N123 PolarHBondContact O-N 3.1Å; N123-N125 PolarHBondContact O-N 2.65Å
124N59.6Low57.4Low126 Ų126132.1 Ų132.167%0.67468%0.678SS**THydrogen-bonded Turntrans-74.7-2.5-178.7-99.1-25.1000115
125N57.3Low56.7Low144 Ų144131.5 Ų131.577%0.7769%0.688SS**THydrogen-bonded Turntrans-94.20.1-178.4-69-25.7000114.3N123N123-N125 PolarHBondContact O-N 2.65Å
126I58.8Low56.1Low154 Ų154134.9 Ų134.979%0.7971%0.707SS**SBendtrans-108.9-7.4-175.6-156.463.6000114.4
127S56.4Low55.7Low80 Ų80138.8 Ų138.856%0.55972%0.721SS**  trans-144.675.3-167.8540000113.2
128K45.6Very low55.3Low212 Ų212140.9 Ų140.992%0.92273%0.732SS**  trans-153.487159.6-109.1175.7-173.6-1800110.9
129S50Low54.6Low108 Ų108139.5 Ų139.576%0.75574%0.739SS**  trans-119.5125.9151.452.70000106.6
130E47Very low54Low191 Ų191137.8 Ų137.889%0.89374%0.743SS**  trans61.8143.3175.6-66.3-178.6119.200114.5
131S41.8Very low53.8Low111 Ų111139.3 Ų139.378%0.77675%0.752SS**  cis-156.8157.619.952.50000109
132D58.9Low53.5Low157 Ų157143.1 Ų143.184%0.8476%0.763SS**  trans-49.7140.5166.9-64.6-52.9000113
133Q46.3Very low53Low164 Ų164145.4 Ų145.477%0.76677%0.772SS**  trans-171.3114.3132.2-146.2149.5-4.800112.9
134E41.9Very low53Low164 Ų164150.4 Ų150.477%0.76678%0.782SS**  trans56.5108.5141.2-60.8170.5-132.700121.4
135D53.9Low52.4Low158 Ų158150.1 Ų150.185%0.84579%0.789SS**  trans-61.1149.3152.1-86.2-43.2000112.2
136N53.8Low51.3Low140 Ų140154.7 Ų154.775%0.74980%0.797SS**  trans109.1112.5179.8-74.6-82.5000110.4
137D53.2Low50.2Low127 Ų127150.2 Ų150.268%0.67979%0.79SS**  cis-155.6114.135-65.9-59.1000110.8
138D56Low49.2Very low155 Ų155151.8 Ų151.883%0.82981%0.807SS**  trans-133.158.9161.9-81.4-36.1000109.2N140D138-N140 PolarHBondContact O-N 3.24Å; D138-N140 VanDerWaalsContact O-N 3.14Å
139L56.1Low48.9Very low165 Ų165148.2 Ų148.286%0.86479%0.794SS**THydrogen-bonded Turntrans-8040.5174.9-89.7171000112.6
140N56.8Low48.7Very low141 Ų141150.3 Ų150.375%0.75479%0.789SS**THydrogen-bonded Turntrans-157.335.3172.5-161.248.1000116.9D138D138-N140 PolarHBondContact O-N 3.24Å; D138-N140 VanDerWaalsContact O-N 3.14Å
141D55.9Low48.5Very low149 Ų149150.4 Ų150.480%0.79779%0.787SS**  trans-103.685.1167.1-85-6.7000110.7D143D141-D143 VanDerWaalsContact C-N 3.27Å; D141-D143 PolarHBondContact O-N 2.95Å; D141-D143 VanDerWaalsContact O-N 3.1Å
142N53Low48.4Very low144 Ų144149.4 Ų149.477%0.7779%0.785SS**  trans-81.768.6172.8-167.185.9000110.7
143D51.4Low47.9Very low141 Ų141151.6 Ų151.675%0.75479%0.787SS**  trans-106.790.1175.5-152.310.5000112.4D141 S145D141-D143 VanDerWaalsContact C-N 3.27Å; D141-D143 PolarHBondContact O-N 2.95Å; D141-D143 VanDerWaalsContact O-N 3.1Å; D143-S145 PolarHBondContact O-N 3.13Å; D143-S145 VanDerWaalsContact O-N 3.07Å
144W58.7Low47.7Very low228 Ų228153.9 Ų153.986%0.86480%0.795SS**  trans23.171.3142.2-73.169.1000119.3
145S48.7Very low47.7Very low119 Ų119157.7 Ų157.783%0.83280%0.802SS**  trans-12472.3157.4-64.10000111.1D143 G147D143-S145 PolarHBondContact O-N 3.13Å; D143-S145 VanDerWaalsContact O-N 3.07Å; S145-G147 PolarHBondContact O-N 2.71Å; S145-G147 VanDerWaalsContact O-N 3.1Å
146Y33.2Very low47.3Very low240 Ų240161.4 Ų161.494%0.94180%0.804SS**  trans-76.495167.9-167.7-101.1000110.2
147G34.7Very low47Very low61 Ų61159.7 Ų159.763%0.62980%0.801SS**  105.967.1128.200000118.5S145S145-G147 PolarHBondContact O-N 2.71Å; S145-G147 VanDerWaalsContact O-N 3.1Å
148A35.4Very low46.1Very low112 Ų112161.9 Ų161.993%0.92681%0.812SS**  trans-128.175.4146.100000110.1
149E41Very low45.2Very low138 Ų138163.8 Ų163.865%0.64581%0.813SS**  trans-109.8146154.645.6164.2-143.100106
150K44.5Very low44.3Very low151 Ų151162.2 Ų162.266%0.65781%0.806SS**  cis-162.413346.1-19.8-169.4-178.4-126.70111.7
151K43.3Very low43.5Very low194 Ų194163.2 Ų163.284%0.84381%0.806SS**  trans72.9138.1132.6-61.2172.7-177.8-179.90117.7
152A39.4Very low42.3Very low90 Ų90163.6 Ų163.674%0.74481%0.808SS**  cis-161.9147.432.500000114.4
153K49.6Very low41.4Very low202 Ų202161.2 Ų161.288%0.87880%0.803SS**  trans24.7119.5138.5-68.2173.5174174.70118.9
154K40.9Very low41.1Very low212 Ų212159.4 Ų159.492%0.92280%0.799SS**  -161.6155.8112.3-108.7172.9-175.31780112.2
155R43Very low40.4Very low244 Ų244160.3 Ų160.392%0.92180%0.802SS**  trans-79.6154.3-156.7-59.3179.5115-174.2-0.5113.2
156R45.3Very low39.9Very low236 Ų236166 Ų16689%0.89181%0.805SS**  trans-43.3162.9162.7-65.1-94.1-178.5177.9-0.7112.2
157P47.3Very low40.4Very low105 Ų105159.2 Ų159.268%0.68279%0.793SS**  cis-143.5155.429.839.2-19.8000116.1
158D34.8Very low40.5Very low172 Ų172165.5 Ų165.592%0.9280%0.803SS**  trans-118.9115.3159.9-91.1-53.6000112.1
159K37Very low41Very low195 Ų195165.3 Ų165.385%0.84880%0.795SS**  trans-71.6117.3167.7-90.3154.6168.3169.30108.5
160N36Very low40.9Very low132 Ų132166.5 Ų166.571%0.70681%0.805SS**  60.7142126.6-121.214.2000122.5
161Q40.1Very low40.5Very low163 Ų163168.7 Ų168.776%0.76281%0.814SS**  trans77.892.1144.7-74.8168.60.700118.8
162N30.3Very low40.4Very low157 Ų157168.6 Ų168.684%0.8482%0.816SS**  trans-69132145.2-179.233.1000110.7
163S34.8Very low40.1Very low94 Ų94174.3 Ų174.366%0.65782%0.824SS**  trans94144.4154.6-142.20000117.2
164P45.7Very low39.1Very low103 Ų103172.8 Ų172.867%0.66983%0.826SS**  cis-139.6163.315.838.8-19.4000117
165R43.2Very low38.5Very low246 Ų246166.1 Ų166.193%0.92882%0.817SS**  trans57.8126.3153.5-74.4175.6172.8-147.5-2.1117.5
166R37.7Very low37.9Very low240 Ų240161.5 Ų161.591%0.90681%0.811SS**  164.9136.4107.7-165.6169.6-168.9-176.72110
167S44.5Very low37.4Very low97 Ų97158 Ų15868%0.67881%0.808SS**  trans-50.5146.8177.743.70000115.3
168K37.2Very low36.5Very low192 Ų192156.7 Ų156.784%0.83582%0.815SS**  173.1133.8111.7-96.2174.6177.1179.60111.2
169S45Very low36.6Very low108 Ų108155.2 Ų155.276%0.75581%0.812SS**  trans-61.7141.1165.964.70000110.7
170L40Very low36.4Very low164 Ų164150.9 Ų150.986%0.85981%0.806SS**  trans-156.4103.9149.8-127.9102.7000111.3
171K35.3Very low36.5Very low197 Ų197152.9 Ų152.986%0.85782%0.816SS**  trans51.8115.6131.8-132.4154.7-179.7178.30120
172H41.2Very low36Very low191 Ų191150.9 Ų150.988%0.88482%0.82SS**  trans-52.7143.7158.3-69.5-89000113
173K33.9Very low36.5Very low210 Ų210149.1 Ų149.191%0.91382%0.82SS**  trans-151.7139.5152-131.9174.6178.9-173.80111.8
174N28.7Very low36.3Very low171 Ų171152 Ų15291%0.91483%0.828SS**  trans-57.7166-175.7-85.1-1.2000117.9
175G28.6Very low36Very low71 Ų71152.3 Ų152.373%0.73283%0.83SS**  trans118.9136.9152.300000111.9
176D29Very low35.7Very low148 Ų148150.8 Ų150.879%0.79183%0.826SS**  cis-166.4-179.84.4-151.2-76.6000107.2
177L34.9Very low35.6Very low161 Ų161149.2 Ų149.284%0.84383%0.826SS**  trans-56.6156.3-165.7-63.9156.1000117.6
178G29.4Very low35.1Very low79 Ų79152.2 Ų152.281%0.81483%0.829SS**  trans-179.675.8166.700000114.6
179T35.9Very low35.1Very low141 Ų141154.8 Ų154.887%0.86584%0.835SS**  trans-86.5115.2169-580000109.9
180S32Very low35.1Very low104 Ų104154.7 Ų154.773%0.72783%0.826SS**  trans-178.9110.5141.957.20000112
181L38.1Very low35Very low173 Ų173155.4 Ų155.491%0.90682%0.819SS**  trans28102138.5-59164.6000118
182S30.3Very low35.6Very low121 Ų121154.2 Ų154.285%0.84682%0.822SS**  trans-142.3118.7145.4-88.20000108.6
183S41.6Very low35.8Very low120 Ų120148.4 Ų148.484%0.83981%0.807SS**  trans-66.5125-178.7-44.40000110.7
184D30.5Very low36.9Very low156 Ų156140.1 Ų140.183%0.83478%0.781SS**  trans-145.9133.1162.6-109-35.5000112.1Y186D184-Y186 PolarHBondContact O-N 2.66Å
185P38.8Very low38.7Very low109 Ų109134.7 Ų134.771%0.70875%0.751SS**  trans-98.247.3-154.639.6-37.1000114.3
186Y36.8Very low40.6Very low214 Ų214134.4 Ų134.484%0.83974%0.738SS**  trans-137.255.3-174-92.8-85.4000114D184D184-Y186 PolarHBondContact O-N 2.66Å
187K36.8Very low42.5Very low206 Ų206130.4 Ų130.490%0.89671%0.713SS**  trans-155.693.5153.7-75.2-146.4177.7-169.70112.2
188Q34.2Very low44.4Very low160 Ų160130.2 Ų130.275%0.74871%0.707SS**  trans-148.479.5154.4-166.1140.3-16.300110.8
189Y36.1Very low46.3Very low246 Ų246131.1 Ų131.197%0.96570%0.701SS**  trans-109.372.3155.8-69.8-71.7000107.7
190N45.1Very low48Very low106 Ų106127 Ų12757%0.56767%0.673SS**  trans-150139.6165.1-159.15.6000110
191Y38.2Very low50.1Low180 Ų180123.3 Ų123.371%0.70665%0.652SS**  trans71.4128174.3-71.4-83.7000117.2A193Y191-A193 PolarHBondContact O-N 3.42Å
192N48.3Very low51.9Low171 Ų171119.1 Ų119.191%0.91464%0.636SS**  42.821.167.9-105.3-36.2000114.9
193A45.7Very low54.2Low70 Ų70118.3 Ų118.358%0.57962%0.622SS**PPolyproline II helixtrans-93.8120.9161.400000107.8Y191 I195Y191-A193 PolarHBondContact O-N 3.42Å; A193-I195 PolarHBondContact O-N 3.13Å
194G56.9Low56.1Low36 Ų36117.8 Ų117.837%0.37161%0.606SS.*PPolyproline II helixtrans-60.4132.9177.600000110.4S196G194-S196 PolarHBondContact O-N 3.39Å
195I64.8Low58.6Low56 Ų56111 Ų11129%0.28757%0.569SS.*PPolyproline II helixtrans-69.7120.6174.7-56178.1000107.4A193 L200 L208 M223 T225A193-I195 PolarHBondContact O-N 3.13Å; I195-L200 HydrophobicContact CG2-CD1 3.72Å; I195-L208 HydrophobicContact CD1-CD1 4.42Å; I195-L208 HydrophobicContact CG2-CD2 4.31Å; I195-M223 HydrophobicContact CB-CG 4.25Å; I195-M223 HydrophobicContact CB-SD 4.25Å; I195-M223 HydrophobicContact CG2-SD 4.11Å; I195-T225 HydrophobicContact CD1-CG2 3.65Å; I195-T225 HydrophobicContact CG1-CG2 3.93Å
196S69.3Low60.6Low65 Ų65111.3 Ų111.346%0.45556%0.557SS.*PPolyproline II helixtrans-80.8116.2173-175.80000108.8G194 E198G194-S196 PolarHBondContact O-N 3.39Å; S196-E198 PolarHBondContact O-N 2.83Å
197Y69.4Low62.9Low65 Ų65105.1 Ų105.126%0.25555%0.545SS..G310 helixtrans-69.7-21.3-178.370.6-88.3000112.6S199 L200 I216 L245Y197-S199 PolarHBondContact O-N 3.24Å; Y197-L200 PolarHBondContact O-N 2.81Å; Y197-I216 HydrophobicContact CD1-CD1 3.99Å; Y197-I216 HydrophobicContact CE1-CD1 4.17Å; Y197-I216 HydrophobicContact CG-CD1 4.23Å; Y197-L245 HydrophobicContact CD2-CD2 4.19Å
198E73.6Confident65.2Low156 Ų15696.6 Ų96.673%0.72951%0.509SS*.G310 helixtrans-74.3-13.7-176.7-160139.8-162.100113.1S196S196-E198 PolarHBondContact O-N 2.83Å
199S69.4Low67.6Low98 Ų9889.2 Ų89.269%0.68547%0.474SS*.G310 helixtrans-98.9-4.8-179.9-48.40000113.6Y197Y197-S199 PolarHBondContact O-N 3.24Å
200L71.5Confident70Confident54 Ų5482.2 Ų82.228%0.28346%0.457SS..SBendtrans-104.9141.8-175.7-67174.8000111.3I195 Y197 E204 I205 L208I195-L200 HydrophobicContact CG2-CD1 3.72Å; Y197-L200 PolarHBondContact O-N 2.81Å; L200-E204 WeakPolarHBondContact CA-OE2 3.5Å; L200-E204 HydrophobicContact CB-CB 4.29Å; L200-E204 HydrophobicContact CD2-CB 4.43Å; L200-E204 WeakPolarHBondContact CD2-OE2 3.47Å; L200-I205 HydrophobicContact CB-CD1 4.33Å; L200-I205 HydrophobicContact CB-CG1 3.8Å; L200-I205 WeakPolarHBondContact O-CD1 3.35Å; L200-L208 HydrophobicContact CD1-CD2 3.88Å
201G77Confident71.9Confident28 Ų2881.3 Ų81.329%0.28946%0.456SS..  trans-69.4157.7175.800000112.3N203 E204 I205G201-N203 PolarHBondContact O-N 3.11Å; G201-N203 VanDerWaalsContact O-N 3.13Å; G201-E204 PolarHBondContact N-OE2 3.5Å; G201-E204 WeakPolarHBondContact O-CB 3.27Å; G201-E204 PolarHBondContact O-N 3.22Å; G201-I205 WeakPolarHBondContact O-CG1 3.28Å; G201-I205 PolarHBondContact O-N 3.36Å
202P76.2Confident74.3Confident85 Ų8574.6 Ų74.655%0.55243%0.431SS*.Hα-helixtrans-57.9-32.7-178.120.2-31.4000113.1R206P202-R206 WeakPolarHBondContact O-CG 3.25Å; P202-R206 PolarHBondContact O-N 3.01Å
203N77.6Confident76.4Confident104 Ų10466.6 Ų66.656%0.55639%0.388SS*.Hα-helixtrans-70.4-38175.8-67.1-34.6000112.8G201 R206 S207G201-N203 PolarHBondContact O-N 3.11Å; G201-N203 VanDerWaalsContact O-N 3.13Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-R206 PolarHBondContact OD1-NH1 3.45Å; N203-R206 PolarHBondContact OD1-NH2 2.89Å; N203-S207 PolarHBondContact O-N 3.34Å
204E82.1Confident78.4Confident108 Ų10863.2 Ų63.251%0.50536%0.36SS..Hα-helixtrans-70.1-41.1179.7-61.6174.9157.100110.1L200 G201 R206 S207 L208L200-E204 WeakPolarHBondContact CA-OE2 3.5Å; L200-E204 HydrophobicContact CB-CB 4.29Å; L200-E204 HydrophobicContact CD2-CB 4.43Å; L200-E204 WeakPolarHBondContact CD2-OE2 3.47Å; G201-E204 PolarHBondContact N-OE2 3.5Å; G201-E204 WeakPolarHBondContact O-CB 3.27Å; G201-E204 PolarHBondContact O-N 3.22Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 2.97Å; E204-S207 PolarHBondContact O-N 3.33Å; E204-L208 WeakPolarHBondContact O-CB 3.38Å; E204-L208 PolarHBondContact O-N 2.9Å
205I82.1Confident80Confident14 Ų1462.1 Ų62.17%0.07235%0.346CS..Hα-helixtrans-59.3-41.6172.9-64.5163.5000110.5L200 G201 S207 L208 L209 L245 L246L200-I205 HydrophobicContact CB-CD1 4.33Å; L200-I205 HydrophobicContact CB-CG1 3.8Å; L200-I205 WeakPolarHBondContact O-CD1 3.35Å; G201-I205 WeakPolarHBondContact O-CG1 3.28Å; G201-I205 PolarHBondContact O-N 3.36Å; I205-S207 PolarHBondContact O-N 3.33Å; I205-L208 WeakPolarHBondContact O-CB 3.33Å; I205-L208 PolarHBondContact O-N 2.94Å; I205-L209 HydrophobicContact CG2-CD1 3.79Å; I205-L209 HydrophobicContact CG2-CG 4.18Å; I205-L209 WeakPolarHBondContact O-CB 3.26Å; I205-L209 VanDerWaalsContact O-CG 3.25Å; I205-L209 WeakPolarHBondContact O-CG 3.3Å; I205-L209 PolarHBondContact O-N 3.38Å; I205-L245 HydrophobicContact CD1-CD2 4.26Å; I205-L245 HydrophobicContact CG2-CB 4.09Å; I205-L245 HydrophobicContact CG2-CD2 3.62Å; I205-L245 HydrophobicContact CG2-CG 4.49Å; I205-L246 HydrophobicContact CG2-CD1 3.87Å
206R81.6Confident81.2Confident116 Ų11661 Ų6144%0.43834%0.341SS..Hα-helixtrans-60.8-48.4175.9-43.2-152.7-156.392.114.9111.8P202 N203 E204 L208 L209 T210 L246P202-R206 WeakPolarHBondContact O-CG 3.25Å; P202-R206 PolarHBondContact O-N 3.01Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-R206 PolarHBondContact OD1-NH1 3.45Å; N203-R206 PolarHBondContact OD1-NH2 2.89Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 2.97Å; R206-L208 PolarHBondContact O-N 3.25Å; R206-L209 PolarHBondContact O-N 3.43Å; R206-T210 PolarHBondContact O-N 3.49Å; R206-T210 PolarHBondContact O-OG1 3.36Å; R206-L246 HydrophobicContact CB-CD2 3.99Å; R206-L246 HydrophobicContact CG-CD1 4.36Å; R206-L246 HydrophobicContact CG-CD2 3.54Å; R206-L246 HydrophobicContact CG-CG 3.78Å
207S84.3Confident81.9Confident84 Ų8460.2 Ų60.259%0.58734%0.335SS*.Hα-helixtrans-58.8-39.8-180-174.30000111.5N203 E204 I205 T210 T211N203-S207 PolarHBondContact O-N 3.34Å; E204-S207 PolarHBondContact O-N 3.33Å; I205-S207 PolarHBondContact O-N 3.33Å; S207-T210 PolarHBondContact O-N 2.86Å; S207-T211 PolarHBondContact O-OG1 2.84Å
208L85Confident82.5Confident27 Ų2765.5 Ų65.514%0.14136%0.362CS..Hα-helixtrans-63.8-49.1176.8-15575000111.6I195 L200 E204 I205 R206 T210 T211 Q212 M223I195-L208 HydrophobicContact CD1-CD1 4.42Å; I195-L208 HydrophobicContact CG2-CD2 4.31Å; L200-L208 HydrophobicContact CD1-CD2 3.88Å; E204-L208 WeakPolarHBondContact O-CB 3.38Å; E204-L208 PolarHBondContact O-N 2.9Å; I205-L208 WeakPolarHBondContact O-CB 3.33Å; I205-L208 PolarHBondContact O-N 2.94Å; R206-L208 PolarHBondContact O-N 3.25Å; L208-T210 VanDerWaalsContact C-N 3.26Å; L208-T210 PolarHBondContact O-N 2.88Å; L208-T211 PolarHBondContact O-N 2.73Å; L208-T211 PolarHBondContact O-OG1 2.72Å; L208-Q212 VanDerWaalsContact O-CB 3.29Å; L208-Q212 WeakPolarHBondContact O-CB 3.31Å; L208-Q212 PolarHBondContact O-N 3.23Å; L208-Q212 PolarHBondContact O-NE2 2.92Å; L208-Q212 VanDerWaalsContact O-NE2 3.14Å; L208-M223 HydrophobicContact CD2-CE 3.47Å; L208-M223 VanDerWaalsContact CD2-CE 3.47Å; L208-M223 HydrophobicContact CD2-SD 3.26Å; L208-M223 WeakPolarHBondContact CD2-SD 3.43Å; L208-M223 HydrophobicContact CG-CE 4.24Å; L208-M223 HydrophobicContact CG-SD 4.45Å
209L86.6Confident82.4Confident5 Ų566.5 Ų66.53%0.02637%0.366CS..Hα-helixtrans-70-17.4-178.8-65.7179.3000113.8I205 R206 G214 M223 R242 L246I205-L209 HydrophobicContact CG2-CD1 3.79Å; I205-L209 HydrophobicContact CG2-CG 4.18Å; I205-L209 WeakPolarHBondContact O-CB 3.26Å; I205-L209 VanDerWaalsContact O-CG 3.25Å; I205-L209 WeakPolarHBondContact O-CG 3.3Å; I205-L209 PolarHBondContact O-N 3.38Å; R206-L209 PolarHBondContact O-N 3.43Å; L209-G214 VanDerWaalsContact CD2-CA 3.42Å; L209-M223 HydrophobicContact CD2-CE 3.88Å; L209-R242 HydrophobicContact CB-CG 4.24Å; L209-R242 HydrophobicContact CD1-CG 3.78Å; L209-R242 PolarHBondContact O-NH2 3.47Å; L209-L246 HydrophobicContact CD1-CD1 3.67Å
210T85Confident82.8Confident98 Ų9865.6 Ų65.660%0.60136%0.357SS*.Hα-helixtrans-72-35.1173.8-590000112.1R206 S207 L208R206-T210 PolarHBondContact O-N 3.49Å; R206-T210 PolarHBondContact O-OG1 3.36Å; S207-T210 PolarHBondContact O-N 2.86Å; L208-T210 VanDerWaalsContact C-N 3.26Å; L208-T210 PolarHBondContact O-N 2.88Å
211T85.8Confident83.1Confident88 Ų8870.3 Ų70.354%0.5438%0.375SS..Hα-helixtrans-106.1-20.1-174.651.40000112.8S207 L208 H228S207-T211 PolarHBondContact O-OG1 2.84Å; L208-T211 PolarHBondContact O-N 2.73Å; L208-T211 PolarHBondContact O-OG1 2.72Å; T211-H228 PolarHBondContact O-N 3.42Å
212Q89.1Confident83.3Confident39 Ų3974.2 Ų74.218%0.18238%0.384CS..BIsolated β-bridgetrans-122.1160.1-173.1-57.8134.46900112.7L208 R226L208-Q212 VanDerWaalsContact O-CB 3.29Å; L208-Q212 WeakPolarHBondContact O-CB 3.31Å; L208-Q212 PolarHBondContact O-N 3.23Å; L208-Q212 PolarHBondContact O-NE2 2.92Å; L208-Q212 VanDerWaalsContact O-NE2 3.14Å; Q212-R226 CarbonylContact C-O 3.52Å; Q212-R226 WeakPolarHBondContact CA-O 3.48Å
213C91.1Very high83.8Confident2 Ų270.6 Ų70.61%0.01436%0.36CS..  trans-62.6-42.9-175.2174.90000111.5V215 C224 R226 S227 C230 H233 R238C213-V215 PolarHBondContact O-N 2.97Å; C213-C224 HydrophobicContact CB-CB 4Å; C213-C224 PolarHBondContact SG-SG 3.32Å; C213-R226 HydrophobicContact CB-CB 4.38Å; C213-R226 WeakPolarHBondContact CB-O 3.19Å; C213-R226 PolarHBondContact N-O 2.93Å; C213-S227 VanDerWaalsContact CB-O 3.31Å; C213-S227 WeakPolarHBondContact CB-O 3.23Å; C213-C230 HydrophobicContact CB-CB 3.71Å; C213-C230 WeakPolarHBondContact CB-SG 3.29Å; C213-C230 WeakPolarHBondContact SG-CB 3.36Å; C213-C230 CovalentContact SG-SG 2.08Å; C213-C230 PolarHBondContact SG-SG 2.82Å; C213-H233 PolarHBondContact SG-ND1 3.28Å; C213-R238 VanDerWaalsContact CA-NH1 3.35Å; C213-R238 VanDerWaalsContact CB-NH1 3.34Å; C213-R238 PolarHBondContact SG-NH1 3.35Å
214G87.9Confident84.3Confident0 Ų066.6 Ų66.60%034%0.34CS..  trans73-14.6166.600000116.7L209 I216 C224L209-G214 VanDerWaalsContact CD2-CA 3.42Å; G214-I216 PolarHBondContact O-N 3.09Å; G214-C224 PolarHBondContact N-O 3.22Å
215V91.1Very high84.5Confident12 Ų1265.4 Ų65.47%0.07334%0.34CS..PPolyproline II helixtrans-59.7125.5180179.20000110.3C213 C224 H233 Q237 R238C213-V215 PolarHBondContact O-N 2.97Å; V215-C224 WeakPolarHBondContact O-CB 3.41Å; V215-C224 PolarHBondContact O-N 3.35Å; V215-H233 HydrophobicContact CB-CB 4.22Å; V215-H233 HydrophobicContact CG1-CB 4.38Å; V215-H233 HydrophobicContact CG2-CB 3.75Å; V215-Q237 HydrophobicContact CG1-CB 4.39Å; V215-Q237 HydrophobicContact CG2-CB 4.15Å; V215-R238 HydrophobicContact CG2-CB 4.46Å; V215-R238 HydrophobicContact CG2-CG 3.75Å
216I88.9Confident84.7Confident34 Ų3471.3 Ų71.317%0.17436%0.361CS..BIsolated β-bridgetrans-87.5120.8-177.9-56.8173.4000108.1Y197 G214 E218 M223 I241 L245Y197-I216 HydrophobicContact CD1-CD1 3.99Å; Y197-I216 HydrophobicContact CE1-CD1 4.17Å; Y197-I216 HydrophobicContact CG-CD1 4.23Å; G214-I216 PolarHBondContact O-N 3.09Å; I216-E218 PolarHBondContact O-N 2.99Å; I216-M223 HydrophobicContact CG1-CB 4.21Å; I216-I241 HydrophobicContact CB-CD1 4.27Å; I216-I241 HydrophobicContact CD1-CD1 4.33Å; I216-I241 HydrophobicContact CD1-CG2 4.4Å; I216-I241 HydrophobicContact CG1-CD1 4.27Å; I216-I241 HydrophobicContact CG1-CG2 4.35Å; I216-L245 HydrophobicContact CD1-CD1 4.02Å
217S84.6Confident85Confident48 Ų4869.3 Ų69.334%0.33637%0.365SS..PPolyproline II helixtrans-73.2126.9175.4168.50000109.8H219 T220 K221 K222S217-H219 VanDerWaalsContact C-N 3.34Å; S217-H219 PolarHBondContact O-N 3.13Å; S217-T220 VanDerWaalsContact CB-OG1 3.29Å; S217-T220 WeakPolarHBondContact CB-OG1 3.38Å; S217-T220 PolarHBondContact O-N 2.88Å; S217-T220 PolarHBondContact OG-OG1 3.33Å; S217-K221 VanDerWaalsContact O-CA 3.32Å; S217-K221 WeakPolarHBondContact O-CA 3.19Å; S217-K221 PolarHBondContact O-N 2.93Å; S217-K222 PolarHBondContact N-O 3Å
218E81.9Confident85.1Confident175 Ų17568.2 Ų68.282%0.81835%0.351SS*.THydrogen-bonded Turntrans-57.2-44.2-178.1-172.9172.6-177.300112.7I216 T220I216-E218 PolarHBondContact O-N 2.99Å; E218-T220 PolarHBondContact O-N 2.98Å
219H71.4Confident85.1Confident178 Ų17877.8 Ų77.882%0.82439%0.385SS*.THydrogen-bonded Turntrans-74.1-24.6-176.8-67.2-69.7000114.5S217S217-H219 VanDerWaalsContact C-N 3.34Å; S217-H219 PolarHBondContact O-N 3.13Å
220T78.2Confident85.2Confident78 Ų7877.6 Ų77.648%0.47938%0.384SS..THydrogen-bonded Turntrans-115.3-10.6-173.461.80000113.5S217 E218 K222S217-T220 VanDerWaalsContact CB-OG1 3.29Å; S217-T220 WeakPolarHBondContact CB-OG1 3.38Å; S217-T220 PolarHBondContact O-N 2.88Å; S217-T220 PolarHBondContact OG-OG1 3.33Å; E218-T220 PolarHBondContact O-N 2.98Å; T220-K222 WeakPolarHBondContact O-CG 3.38Å; T220-K222 PolarHBondContact O-N 2.9Å
221K77.1Confident85.1Confident153 Ų15379.3 Ų79.367%0.66540%0.397SS*.  trans5016.3-170.8-61.2-174.7178-175.60114.1S217S217-K221 VanDerWaalsContact O-CA 3.32Å; S217-K221 WeakPolarHBondContact O-CA 3.19Å; S217-K221 PolarHBondContact O-N 2.93Å
222K82.4Confident85.1Confident111 Ų11180.7 Ų80.748%0.48340%0.397SS..PPolyproline II helixtrans-94.3137.3179.8-73.7170-178.2178.40108.8S217 T220S217-K222 PolarHBondContact N-O 3Å; T220-K222 WeakPolarHBondContact O-CG 3.38Å; T220-K222 PolarHBondContact O-N 2.9Å
223M85.4Confident85Confident9 Ų980.7 Ų80.74%0.04440%0.397CS..BIsolated β-bridgetrans-79.4144173.978-170.5-55.400111.6I195 L208 L209 I216 T225I195-M223 HydrophobicContact CB-CG 4.25Å; I195-M223 HydrophobicContact CB-SD 4.25Å; I195-M223 HydrophobicContact CG2-SD 4.11Å; L208-M223 HydrophobicContact CD2-CE 3.47Å; L208-M223 VanDerWaalsContact CD2-CE 3.47Å; L208-M223 HydrophobicContact CD2-SD 3.26Å; L208-M223 WeakPolarHBondContact CD2-SD 3.43Å; L208-M223 HydrophobicContact CG-CE 4.24Å; L208-M223 HydrophobicContact CG-SD 4.45Å; L209-M223 HydrophobicContact CD2-CE 3.88Å; I216-M223 HydrophobicContact CG1-CB 4.21Å; M223-T225 PolarHBondContact O-N 3.33Å
224C88.5Confident84.9Confident19 Ų1984.2 Ų84.213%0.12842%0.419CS..PPolyproline II helixtrans-70.6117176.2-172.30000110.8C213 G214 V215 R226C213-C224 HydrophobicContact CB-CB 4Å; C213-C224 PolarHBondContact SG-SG 3.32Å; G214-C224 PolarHBondContact N-O 3.22Å; V215-C224 WeakPolarHBondContact O-CB 3.41Å; V215-C224 PolarHBondContact O-N 3.35Å; C224-R226 VanDerWaalsContact C-N 3.31Å
225T86.3Confident84.9Confident83 Ų8387.3 Ų87.351%0.50944%0.435SS..  trans-88.1417957.10000113.6I195 M223I195-T225 HydrophobicContact CD1-CG2 3.65Å; I195-T225 HydrophobicContact CG1-CG2 3.93Å; M223-T225 PolarHBondContact O-N 3.33Å
226R86.9Confident84.8Confident138 Ų13891.5 Ų91.552%0.52146%0.457SS..SBendtrans-67.1165.6173.7-64.1-174.9174.8-179.30.1110.3Q212 C213 C224 C230Q212-R226 CarbonylContact C-O 3.52Å; Q212-R226 WeakPolarHBondContact CA-O 3.48Å; C213-R226 HydrophobicContact CB-CB 4.38Å; C213-R226 WeakPolarHBondContact CB-O 3.19Å; C213-R226 PolarHBondContact N-O 2.93Å; C224-R226 VanDerWaalsContact C-N 3.31Å; R226-C230 HydrophobicContact CB-CB 3.7Å
227S88.5Confident84.7Confident74 Ų7494.2 Ų94.252%0.51747%0.469SS..BIsolated β-bridgetrans-58.1159179.562.40000112.9C213 R229 C230C213-S227 VanDerWaalsContact CB-O 3.31Å; C213-S227 WeakPolarHBondContact CB-O 3.23Å; S227-R229 PolarHBondContact O-N 2.95Å; S227-C230 WeakPolarHBondContact O-CB 3.43Å; S227-C230 PolarHBondContact O-N 3.34Å
228H85.5Confident84.9Confident62 Ų6292.5 Ų92.529%0.28746%0.455SS..THydrogen-bonded Turntrans-54.2-18.3175-179.7-108.7000113.9T211 D235 R238 R242T211-H228 PolarHBondContact O-N 3.42Å; H228-D235 IonicContact CE1-OD1 3.92Å; H228-D235 IonicContact NE2-OD1 3.72Å; H228-R238 PolarHBondContact O-NE 3.19Å; H228-R238 PolarHBondContact O-NH1 3.06Å; H228-R242 PolarHBondContact CD2-NH2 3.49Å; H228-R242 PolarHBondContact NE2-NH1 3Å; H228-R242 PolarHBondContact NE2-NH2 3.37Å
229R85.3Confident85.1Confident227 Ų22789.9 Ų89.986%0.85744%0.438SS*.THydrogen-bonded Turntrans-99.831.6173.6-132.9171.2-154.6-1232.7114S227 P231S227-R229 PolarHBondContact O-N 2.95Å; R229-P231 WeakPolarHBondContact O-CD 3.46Å
230C87.7Confident85.9Confident2 Ų284.2 Ų84.21%0.01442%0.422CS..  trans-60.5120.7-179.1760000110.2C213 R226 S227 Q232 H233 R238C213-C230 HydrophobicContact CB-CB 3.71Å; C213-C230 WeakPolarHBondContact CB-SG 3.29Å; C213-C230 WeakPolarHBondContact SG-CB 3.36Å; C213-C230 CovalentContact SG-SG 2.08Å; C213-C230 PolarHBondContact SG-SG 2.82Å; R226-C230 HydrophobicContact CB-CB 3.7Å; S227-C230 WeakPolarHBondContact O-CB 3.43Å; S227-C230 PolarHBondContact O-N 3.34Å; C230-Q232 PolarHBondContact O-N 3.49Å; C230-Q232 VanDerWaalsContact O-N 3.07Å; C230-H233 PolarHBondContact O-N 3.46Å; C230-H233 PolarHBondContact SG-ND1 3.3Å; C230-R238 PolarHBondContact O-NH2 3.04Å; C230-R238 PolarHBondContact SG-NH1 3.14Å; C230-R238 PolarHBondContact SG-NH2 2.91Å
231P84.6Confident86.2Confident133 Ų13382 Ų8286%0.86441%0.406SS*.THydrogen-bonded Turntrans-70-9.2-176.527.6-35.6000113.8R229R229-P231 WeakPolarHBondContact O-CD 3.46Å
232Q84.6Confident86.7Confident118 Ų11877.5 Ų77.555%0.55139%0.385SS*.THydrogen-bonded Turntrans-81.3-17.8-177.4-170.4168.1-1.200113.4C230C230-Q232 PolarHBondContact O-N 3.49Å; C230-Q232 VanDerWaalsContact O-N 3.07Å
233H86.8Confident86.9Confident38 Ų3876.9 Ų76.918%0.17639%0.387CS..SBendtrans-132.1144.3-178.3-53.8129000111.1C213 V215 C230 R238C213-H233 PolarHBondContact SG-ND1 3.28Å; V215-H233 HydrophobicContact CB-CB 4.22Å; V215-H233 HydrophobicContact CG1-CB 4.38Å; V215-H233 HydrophobicContact CG2-CB 3.75Å; C230-H233 PolarHBondContact O-N 3.46Å; C230-H233 PolarHBondContact SG-ND1 3.3Å; H233-R238 PolarHBondContact O-NH2 3.18Å
234T90.1Very high86.8Confident77 Ų7784.1 Ų84.147%0.47242%0.418SS..  trans-77.6161.1179.259.90000111.2D236 Q237 R238T234-D236 VanDerWaalsContact C-N 3.25Å; T234-D236 PolarHBondContact O-N 2.75Å; T234-Q237 PolarHBondContact O-N 2.96Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.27Å; T234-Q237 PolarHBondContact OG1-N 2.72Å; T234-R238 WeakPolarHBondContact O-CG 3.46Å; T234-R238 PolarHBondContact O-N 3.25Å; T234-R238 PolarHBondContact O-NE 3.47Å
235D87Confident86.4Confident65 Ų6584.9 Ų84.935%0.34842%0.421SS..Hα-helixtrans-65.8-32.7177.2-159.654.9000111.5H228 Q237 R238 R239H228-D235 IonicContact CE1-OD1 3.92Å; H228-D235 IonicContact NE2-OD1 3.72Å; D235-Q237 PolarHBondContact O-N 3.2Å; D235-R238 WeakPolarHBondContact O-CB 3.36Å; D235-R238 PolarHBondContact O-N 3.24Å; D235-R238 VanDerWaalsContact O-N 3.1Å; D235-R239 WeakPolarHBondContact O-CG 3.47Å; D235-R239 PolarHBondContact O-N 3.2Å; D235-R239 IonicContact OD2-CZ 3.3Å; D235-R239 VanDerWaalsContact OD2-CZ 3.3Å; D235-R239 IonicContact OD2-NE 3.66Å; D235-R239 IonicContact OD2-NH1 2.72Å; D235-R239 PolarHBondContact OD2-NH1 2.94Å
236D88.9Confident86Confident100 Ų10082.8 Ų82.854%0.53541%0.406SS..Hα-helixtrans-60.6-41.8174.3-66.2-39.8000113T234 R238 R239 A240T234-D236 VanDerWaalsContact C-N 3.25Å; T234-D236 PolarHBondContact O-N 2.75Å; D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 3.27Å; D236-R239 PolarHBondContact O-N 3.15Å; D236-R239 IonicContact OD1-CZ 3.33Å; D236-R239 IonicContact OD1-NE 3.24Å; D236-R239 PolarHBondContact OD1-NE 2.96Å; D236-R239 IonicContact OD1-NH2 2.65Å; D236-R239 PolarHBondContact OD1-NH2 3.36Å; D236-A240 WeakPolarHBondContact O-CB 3Å; D236-A240 PolarHBondContact O-N 2.7Å
237Q87.1Confident85.2Confident91 Ų9177.2 Ų77.243%0.42539%0.392SS..Hα-helixtrans-63.5-33.8175.3-73.3173.6-12.100112V215 T234 D235 I241V215-Q237 HydrophobicContact CG1-CB 4.39Å; V215-Q237 HydrophobicContact CG2-CB 4.15Å; T234-Q237 PolarHBondContact O-N 2.96Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.27Å; T234-Q237 PolarHBondContact OG1-N 2.72Å; D235-Q237 PolarHBondContact O-N 3.2Å; Q237-I241 VanDerWaalsContact O-CG1 3.23Å; Q237-I241 WeakPolarHBondContact O-CG1 3.05Å; Q237-I241 PolarHBondContact O-N 3.16Å
238R89.5Confident83.9Confident11 Ų1179.9 Ų79.94%0.04241%0.408CS..Hα-helixtrans-72.9-41.9175.2-56.7167.4-150.7-87.8-1.4111.4C213 V215 H228 C230 H233 T234 D235 D236 I241 R242C213-R238 VanDerWaalsContact CA-NH1 3.35Å; C213-R238 VanDerWaalsContact CB-NH1 3.34Å; C213-R238 PolarHBondContact SG-NH1 3.35Å; V215-R238 HydrophobicContact CG2-CB 4.46Å; V215-R238 HydrophobicContact CG2-CG 3.75Å; H228-R238 PolarHBondContact O-NE 3.19Å; H228-R238 PolarHBondContact O-NH1 3.06Å; C230-R238 PolarHBondContact O-NH2 3.04Å; C230-R238 PolarHBondContact SG-NH1 3.14Å; C230-R238 PolarHBondContact SG-NH2 2.91Å; H233-R238 PolarHBondContact O-NH2 3.18Å; T234-R238 WeakPolarHBondContact O-CG 3.46Å; T234-R238 PolarHBondContact O-N 3.25Å; T234-R238 PolarHBondContact O-NE 3.47Å; D235-R238 WeakPolarHBondContact O-CB 3.36Å; D235-R238 PolarHBondContact O-N 3.24Å; D235-R238 VanDerWaalsContact O-N 3.1Å; D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 3.27Å; R238-I241 PolarHBondContact O-N 3.35Å; R238-R242 WeakPolarHBondContact O-CB 3.43Å; R238-R242 VanDerWaalsContact O-CG 3.3Å; R238-R242 WeakPolarHBondContact O-CG 3.25Å; R238-R242 PolarHBondContact O-N 3.17Å
239R85.3Confident82Confident121 Ų12182 Ų8246%0.45743%0.43SS..Hα-helixtrans-60.4-46.5177.1-74.3-170.2-78.8-128.821.3110.5D235 D236 I241 R242 L243D235-R239 WeakPolarHBondContact O-CG 3.47Å; D235-R239 PolarHBondContact O-N 3.2Å; D235-R239 IonicContact OD2-CZ 3.3Å; D235-R239 VanDerWaalsContact OD2-CZ 3.3Å; D235-R239 IonicContact OD2-NE 3.66Å; D235-R239 IonicContact OD2-NH1 2.72Å; D235-R239 PolarHBondContact OD2-NH1 2.94Å; D236-R239 PolarHBondContact O-N 3.15Å; D236-R239 IonicContact OD1-CZ 3.33Å; D236-R239 IonicContact OD1-NE 3.24Å; D236-R239 PolarHBondContact OD1-NE 2.96Å; D236-R239 IonicContact OD1-NH2 2.65Å; D236-R239 PolarHBondContact OD1-NH2 3.36Å; R239-I241 PolarHBondContact O-N 3.43Å; R239-R242 PolarHBondContact O-N 3.22Å; R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 3.38Å
240A87.4Confident80.2Confident58 Ų5872.6 Ų72.648%0.47940%0.4SS..Hα-helixtrans-59.1-44.6176.600000112.6D236 L243 F244D236-A240 WeakPolarHBondContact O-CB 3Å; D236-A240 PolarHBondContact O-N 2.7Å; A240-L243 PolarHBondContact O-N 2.83Å; A240-F244 WeakPolarHBondContact O-CB 3.49Å; A240-F244 PolarHBondContact O-N 3.07Å
241I86.4Confident78.2Confident31 Ų3177.9 Ų77.916%0.15944%0.435CS..Hα-helixtrans-68.4-36.8178.8-67.2-69.8000111.7I216 Q237 R238 R239 F244 L245I216-I241 HydrophobicContact CB-CD1 4.27Å; I216-I241 HydrophobicContact CD1-CD1 4.33Å; I216-I241 HydrophobicContact CD1-CG2 4.4Å; I216-I241 HydrophobicContact CG1-CD1 4.27Å; I216-I241 HydrophobicContact CG1-CG2 4.35Å; Q237-I241 VanDerWaalsContact O-CG1 3.23Å; Q237-I241 WeakPolarHBondContact O-CG1 3.05Å; Q237-I241 PolarHBondContact O-N 3.16Å; R238-I241 PolarHBondContact O-N 3.35Å; R239-I241 PolarHBondContact O-N 3.43Å; I241-F244 PolarHBondContact O-N 3.35Å; I241-L245 HydrophobicContact CG2-CD1 3.83Å; I241-L245 VanDerWaalsContact O-CD1 3.25Å; I241-L245 WeakPolarHBondContact O-CD1 3.32Å; I241-L245 PolarHBondContact O-N 3.19Å
242R86.9Confident76.5Confident59 Ų5978 Ų7822%0.22343%0.433CS..Hα-helixtrans-63.6-45.1173-75169.1178.6163.2-7.4111.5L209 H228 R238 R239 F244 L245 L246L209-R242 HydrophobicContact CB-CG 4.24Å; L209-R242 HydrophobicContact CD1-CG 3.78Å; L209-R242 PolarHBondContact O-NH2 3.47Å; H228-R242 PolarHBondContact CD2-NH2 3.49Å; H228-R242 PolarHBondContact NE2-NH1 3Å; H228-R242 PolarHBondContact NE2-NH2 3.37Å; R238-R242 WeakPolarHBondContact O-CB 3.43Å; R238-R242 VanDerWaalsContact O-CG 3.3Å; R238-R242 WeakPolarHBondContact O-CG 3.25Å; R238-R242 PolarHBondContact O-N 3.17Å; R239-R242 PolarHBondContact O-N 3.22Å; R242-F244 VanDerWaalsContact C-N 3.3Å; R242-F244 PolarHBondContact O-N 2.88Å; R242-L245 PolarHBondContact O-N 3.03Å; R242-L246 VanDerWaalsContact O-CB 3.27Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 PolarHBondContact O-N 2.9Å
243L85.4Confident74.4Confident99 Ų9979.6 Ų79.652%0.51844%0.444SS..Hα-helixtrans-62.4-38.8175.7-70.3170.9000111.8R239 A240 G247R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 3.38Å; A240-L243 PolarHBondContact O-N 2.83Å; L243-G247 CarbonylContact O-C 3.59Å; L243-G247 WeakPolarHBondContact O-CA 3.49Å; L243-G247 PolarHBondContact O-N 3.35Å
244F83.2Confident72.3Confident160 Ų16083.5 Ų83.570%0.70247%0.473SS*.Hα-helixtrans-69-42.7179.3-175.6-111.4000113.1A240 I241 R242A240-F244 WeakPolarHBondContact O-CB 3.49Å; A240-F244 PolarHBondContact O-N 3.07Å; I241-F244 PolarHBondContact O-N 3.35Å; R242-F244 VanDerWaalsContact C-N 3.3Å; R242-F244 PolarHBondContact O-N 2.88Å
245L82.1Confident69.7Low35 Ų3587.5 Ų87.518%0.18349%0.492CS..Hα-helixtrans-88.6-29.2-176.1-8380.2000113.7Y197 I205 I216 I241 R242Y197-L245 HydrophobicContact CD2-CD2 4.19Å; I205-L245 HydrophobicContact CD1-CD2 4.26Å; I205-L245 HydrophobicContact CG2-CB 4.09Å; I205-L245 HydrophobicContact CG2-CD2 3.62Å; I205-L245 HydrophobicContact CG2-CG 4.49Å; I216-L245 HydrophobicContact CD1-CD1 4.02Å; I241-L245 HydrophobicContact CG2-CD1 3.83Å; I241-L245 VanDerWaalsContact O-CD1 3.25Å; I241-L245 WeakPolarHBondContact O-CD1 3.32Å; I241-L245 PolarHBondContact O-N 3.19Å; R242-L245 PolarHBondContact O-N 3.03Å
246L77.1Confident67.3Low39 Ų3988.9 Ų88.920%0.20451%0.512CS..Hα-helixtrans-103.2-11.6-177.5-76.959.6000112.9I205 R206 L209 R242 A250I205-L246 HydrophobicContact CG2-CD1 3.87Å; R206-L246 HydrophobicContact CB-CD2 3.99Å; R206-L246 HydrophobicContact CG-CD1 4.36Å; R206-L246 HydrophobicContact CG-CD2 3.54Å; R206-L246 HydrophobicContact CG-CG 3.78Å; L209-L246 HydrophobicContact CD1-CD1 3.67Å; R242-L246 VanDerWaalsContact O-CB 3.27Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 PolarHBondContact O-N 2.9Å; L246-A250 HydrophobicContact CB-CB 4.15Å; L246-A250 HydrophobicContact CD2-CB 4.29Å
247G70.1Confident65Low21 Ų2191.7 Ų91.722%0.21653%0.527CS..  trans75.1175.7-175.200000113.6L243 S249 A250L243-G247 CarbonylContact O-C 3.59Å; L243-G247 WeakPolarHBondContact O-CA 3.49Å; L243-G247 PolarHBondContact O-N 3.35Å; G247-S249 PolarHBondContact O-N 3.48Å; G247-A250 PolarHBondContact O-N 3.27Å
248P60.3Low63Low131 Ų13194.2 Ų94.285%0.85155%0.548SS*.THydrogen-bonded Turntrans-62.2-6.5-176.8-22.132.9000115.6
249S45.8Very low60.6Low107 Ų107102.5 Ų102.575%0.74859%0.587SS**THydrogen-bonded Turntrans-94.814.2-178.935.80000113.8G247 P251G247-S249 PolarHBondContact O-N 3.48Å; S249-P251 WeakPolarHBondContact O-CD 3.45Å
250A47.9Very low58.2Low28 Ų28100 Ų10023%0.23160%0.6CS.*  trans-71.5122.3169.400000110.2L246 G247 T252L246-A250 HydrophobicContact CB-CB 4.15Å; L246-A250 HydrophobicContact CD2-CB 4.29Å; G247-A250 PolarHBondContact O-N 3.27Å; A250-T252 PolarHBondContact O-N 3.02Å; A250-T252 VanDerWaalsContact O-N 3.16Å
251P46.5Very low55.6Low114 Ų114105.1 Ų105.174%0.7462%0.619SS**  trans-62.8120.6176.6-14.426.8000109.3S249 L253S249-P251 WeakPolarHBondContact O-CD 3.45Å; P251-L253 PolarHBondContact O-N 3.17Å
252T48.3Very low53.3Low134 Ų134108.1 Ų108.182%0.82264%0.643SS**  trans-59.5115.4158.847.70000106.7A250A250-T252 PolarHBondContact O-N 3.02Å; A250-T252 VanDerWaalsContact O-N 3.16Å
253L39.7Very low50.6Low152 Ų152113.8 Ų113.880%0.79667%0.669SS**PPolyproline II helixtrans-59.6139.2171.3-74.4172.7000108.4P251 D255P251-L253 PolarHBondContact O-N 3.17Å; L253-D255 PolarHBondContact O-N 3.1Å
254P42.3Very low48.1Very low121 Ų121114.9 Ų114.979%0.78668%0.676SS**PPolyproline II helixtrans-70.2116.7-173.527.7-31.7000109.5
255D36.1Very low46.1Very low161 Ų161114.6 Ų114.686%0.86168%0.68SS**PPolyproline II helixtrans-68.4143.6154-89.3-40.9000108.1L253L253-D255 PolarHBondContact O-N 3.1Å
256A37.7Very low44.2Very low94 Ų94118.6 Ų118.678%0.77771%0.708SS**SBendtrans-52.9140.8-173.300000113.8V258A256-V258 PolarHBondContact O-N 3.1Å
257D39.2Very low42.1Very low159 Ų159124 Ų12485%0.8574%0.737SS**  trans0.3104.5164.2-77.1-36.1000117.1
258V44.8Very low40.9Very low143 Ų143125.8 Ų125.887%0.86776%0.756SS**  trans-136.6109.3136.8177.90000106.2A256 G260A256-V258 PolarHBondContact O-N 3.1Å; V258-G260 PolarHBondContact O-N 3.22Å
259E39.7Very low39.9Very low185 Ų185128.9 Ų128.986%0.86476%0.759SS**  trans-41.4127172.1-84.2-113.6143.200111.8
260G35.2Very low39.8Very low69 Ų69128.2 Ų128.271%0.71176%0.76SS**  trans-80.1137.2161.400000109.7V258V258-G260 PolarHBondContact O-N 3.22Å
261D32.1Very low39.4Very low165 Ų165135.2 Ų135.288%0.88279%0.792SS**  trans-117.4135.6135.8-159.213.9000109.3
262S39.4Very low39Very low95 Ų95138 Ų13866%0.66480%0.8SS**  trans-82.7148.9-172.4162.70000109.4
263F29.7Very low38.5Very low177 Ų177136.8 Ų136.878%0.77680%0.797SS**  148.8122.1122.3-160.8-109.3000114.1
264D32.6Very low38.5Very low122 Ų122141.1 Ų141.165%0.65280%0.803SS**  trans40.2129.1155-89.9-71.1000124.4
265I40.9Very low37.8Very low155 Ų155141.7 Ų141.780%0.79580%0.798SS**  trans-87.1138.2160.9-65.9164000108.2
266P43.4Very low37.6Very low118 Ų118141.8 Ų141.877%0.76679%0.794SS**  -140.7138.7121.826.8-7.8000115.1
267N31.7Very low37.5Very low153 Ų153148.6 Ų148.682%0.81880%0.799SS**  trans94.9123.7144-148.940.2000119.4
268G44.8Very low37Very low59 Ų59149.6 Ų149.661%0.60880%0.799SS**  trans-86.5-164.6-176.100000115.3
269Q40.5Very low36.3Very low196 Ų196149 Ų14992%0.91679%0.791SS**  trans90.954.5179.4-59-177.4-60.400118.1
270A42.7Very low35.7Very low93 Ų93149 Ų14977%0.76979%0.788SS**SBendtrans-149.4-14.9164.800000119
271L39.2Very low36.6Very low175 Ų175151.2 Ų151.292%0.91679%0.79SS**SBendtrans-113.918.6-165.7-77.1176000116.9
272L38.8Very low36.6Very low172 Ų172150.2 Ų150.290%0.90179%0.785SS**SBendtrans-1145.8178-85.5159.8000115.2
273S37.6Very low36.3Very low108 Ų108151.9 Ų151.976%0.75579%0.791SS**  trans-115.524.8-174-59.10000115.8
274R39.6Very low36.8Very low244 Ų244148.9 Ų148.992%0.92179%0.792SS**  trans-127.849.3173.5-143.5175.5-176168.90.3113.4
275L29.3Very low37.2Very low132 Ų132149.2 Ų149.269%0.69180%0.8SS**  6.8126.7126.5-64.2170.6000113.6
276Q31.5Very low37.2Very low164 Ų164148 Ų14877%0.76680%0.8SS**  124.5139.963.3177.4174.3-14.700105.8
277W35.6Very low36.7Very low237 Ų237149.6 Ų149.690%0.89880%0.803SS**  trans-63.9152.8-174.4-72.273.1000114.2
278E28.1Very low37.1Very low179 Ų179147.2 Ų147.284%0.83680%0.798SS**  trans-164.5157.2147-91.4-49.7112.600111.6
279D29.2Very low36.4Very low131 Ų131149.6 Ų149.670%0.70181%0.812SS**  trans-66.9159.8-164.7-95.8-46.6000119.7
280F28.5Very low36.2Very low185 Ų185145.4 Ų145.481%0.81180%0.804SS**  trans-28.8-175.9168.7-67.7-80000121.6
281P53.2Low35.8Very low115 Ų115145.7 Ų145.775%0.74780%0.8SS**  cis-136.7-171.8-41.636.3-16.9000114.7
282D32.4Very low35.8Very low145 Ų145146.6 Ų146.678%0.77580%0.797SS**  trans97145.6153.2-152.721.8000119.7
283V34.2Very low35.5Very low130 Ų130143.7 Ų143.779%0.78880%0.798SS**  trans12295.4170.6-52.90000116.3
284S40.2Very low35.4Very low114 Ų114143.7 Ų143.780%0.79780%0.798SS**  trans-75.9158.4153.6-62.60000110.6
285P40.8Very low35.2Very low128 Ų128137.9 Ų137.983%0.83179%0.789SS**  -138135.9126.332.4-17.6000114.4
286T39.5Very low35.3Very low130 Ų130139.6 Ų139.680%0.79880%0.799SS**  trans-65137.5153.4-84.80000110
287D33.6Very low35.4Very low152 Ų152140.1 Ų140.181%0.81380%0.802SS**  -171.6154.9113.7-157.220.1000112.8
288S40.8Very low35.4Very low103 Ų103134.8 Ų134.872%0.7280%0.8SS**  trans-91.3152.6-165.2-55.40000114
289A30.1Very low35.5Very low108 Ų108131.9 Ų131.989%0.89379%0.791SS**  trans-160.5131.5142.800000112.2
290S35.3Very low35.9Very low109 Ų109131.7 Ų131.776%0.76280%0.799SS**  trans-92.4149.2-172.1-178.60000113.1
291S35.4Very low36.4Very low98 Ų98133.6 Ų133.669%0.68580%0.801SS**  trans-173.6114.5130.8-85.40000116.2
292K38.4Very low36.2Very low195 Ų195139.4 Ų139.485%0.84881%0.808SS**  49.7113.8128.7-28.9-177.5-166.1174.30120.6
293A33.2Very low36.6Very low111 Ų111138.9 Ų138.992%0.91781%0.813SS**  trans-154.3145.2136.800000110.5
294S35Very low37Very low108 Ų108142.6 Ų142.676%0.75582%0.818SS**  trans-106.7167-157.1-161.20000113.2
295T34.7Very low37Very low121 Ų121146.9 Ų146.974%0.74282%0.822SS**  trans68.2112.416071.10000119.2
296N32.8Very low36.9Very low169 Ų169150.2 Ų150.290%0.90482%0.824SS**  trans-140.6128.9142.1-101.9-23.8000112.2
297H32.8Very low36.6Very low175 Ų175152.5 Ų152.581%0.8182%0.823SS**  trans-57.9142.3176.8-106.8-98.6000112.5
298S34.4Very low36.6Very low124 Ų124154.8 Ų154.887%0.86782%0.82SS**  trans-111.1116.5160.8-63.90000108.7
299D31.5Very low36.3Very low119 Ų119155.6 Ų155.664%0.63682%0.816SS**  trans-129.6109.9175.1-141.4-24.6000108.2
300S36.4Very low36.3Very low127 Ų127155.9 Ų155.989%0.88880%0.802SS**  trans-113.4106.6173.5-88.80000109
301R40.2Very low36.1Very low224 Ų224157.5 Ų157.585%0.84580%0.802SS**  trans-94.6118172.5-67.3-178.1-173.5-177.82.8110.5
302R48.2Very low35.8Very low238 Ų238158.4 Ų158.490%0.89881%0.808SS**  trans-108139.5155.4-84.1-175.2174.4-157.4-0.3109.2
303P41.7Very low35.5Very low134 Ų134156.3 Ų156.387%0.8781%0.805SS**  trans-88.3142.7176.732.3-30.1000113.3
304K43.1Very low35.5Very low208 Ų208157.9 Ų157.990%0.90480%0.798SS**  trans-93148.7173.1-81.4171.9171.5167.40111.8
305K39.8Very low35.3Very low203 Ų203157.9 Ų157.988%0.88380%0.798SS**  trans-140.6109.8140.3-88.5-177.8177.8174.60107.3
306K37.5Very low35Very low198 Ų198155.9 Ų155.986%0.86180%0.801SS**  61.412998-78.6-174.8179.1176.80111.8
307K34Very low34.8Very low178 Ų178151.8 Ų151.877%0.77480%0.799SS**  cis-169.313820.4-150.2-174.8178.7-174.70109.8
308R34.2Very low34.6Very low200 Ų200147.5 Ų147.576%0.75580%0.802SS**  trans48.3123.1137.1-70-164.4160.5-153.83.3122.8
309L33.3Very low34.3Very low120 Ų120144.8 Ų144.863%0.62879%0.794SS**  87141.896.2-67.3179.5000111.3
310D31Very low34.3Very low114 Ų114145.6 Ų145.661%0.6180%0.803SS**  cis-165.6160.613-120.4-34.6000109.9
311L31.8Very low34.1Very low144 Ų144145.7 Ų145.775%0.75479%0.793SS**  trans32.3128.5147.3-65.1137.7000120.9
312S28.9Very low33.8Very low116 Ų116142.2 Ų142.281%0.81179%0.789SS**  173.9164.491.1-141.50000114.1
313L32.3Very low32.9Very low151 Ų151137.5 Ų137.579%0.79179%0.786SS**  trans-81.6146.9-167.3-84134.7000115.9
314N32.2Very low32.5Very low144 Ų144134.2 Ų134.277%0.7778%0.777SS**  trans72.5136.1130.1-140.643.8000123.3
315S31.3Very low32.1Very low109 Ų109130.2 Ų130.276%0.76277%0.77SS**  trans63.3129.7147.7-81.90000122.2
316G28.2Very low31.7Very low78 Ų78125.7 Ų125.780%0.80476%0.764SS**  trans147.9102.7142.800000116.3
317G28.2Very low31.5Very low83 Ų83121.4 Ų121.486%0.85676%0.759SS**  73113128.400000120.6
318G28.2Very low31.4Very low85 Ų85117.3 Ų117.388%0.87675%0.752SS**  86.3124.4114.200000119.4
319G29.2Very low31.3Very low68 Ų68112.7 Ų112.770%0.70175%0.751SS**  110.498.8124.300000118.4
320V31.6Very low31.3Very low135 Ų135112.1 Ų112.182%0.81876%0.757SS**  48.4136.2128.1-73.50000123.1
321N32.4Very low31.4Very low129 Ų129111.2 Ų111.269%0.6976%0.76SS**  trans90112.1139.8-82.48.9000119.5
322M32.6Very low31.4Very low152 Ų152109.6 Ų109.675%0.74976%0.76SS**  83.1115.199.6-67.8-78.4-177.200110.5
323T30.6Very low31.5Very low138 Ų138109.3 Ų109.385%0.84776%0.757SS**  171.4156.682.936.70000107.8
324G32.1Very low31.7Very low65 Ų65110.8 Ų110.867%0.6776%0.76SS**  trans154.549.817400000112.2
325V34.8Very low31.7Very low125 Ų125109.2 Ų109.276%0.75876%0.76SS**  25.6108.2114.6-58.80000114
326S31.7Very low31.7Very low108 Ų108111.1 Ų111.176%0.75576%0.761SS**  65.112996.9-43.80000110.6
327S32.1Very low32Very low108 Ų108115.8 Ų115.876%0.75577%0.766SS**  cis166.3163.218.6420000100.7
328S33Very low32.3Very low91 Ų91116.6 Ų116.664%0.63676%0.759SS**  cis176.9125.832.7-00000102.1
329S31Very low32.6Very low104 Ų104120.4 Ų120.473%0.72776%0.758SS**  57.8121.1110.669.10000114.6
330S33.3Very low32.9Very low107 Ų107123.2 Ų123.275%0.74877%0.767SS**  156.9155.676.249.70000105.3
331S33.3Very low33Very low96 Ų96122.8 Ų122.867%0.67177%0.765SS**  cis179.5145.7-0.5400000107.4
332S32.9Very low33.3Very low109 Ų109126.9 Ų126.976%0.76278%0.777SS**  trans61.6140.1143.848.20000119.7
333C31.1Very low33.5Very low110 Ų110129.5 Ų129.574%0.74378%0.784SS**  cis-164.6134.537.634.90000112.9
334Q35Very low34Very low183 Ų183132.8 Ų132.886%0.85579%0.786SS**  trans46.1126.9131.4-53.4179.111.400119.8
335S32.3Very low34.5Very low111 Ų111139.3 Ų139.378%0.77680%0.796SS**  -169.4132.378.8-60.30000114.6
336N32.1Very low34.9Very low148 Ų148138.5 Ų138.579%0.79179%0.793SS**  trans10.4131.9147.3-58.3-31.4000122.7
337I35Very low35.1Very low177 Ų177143.6 Ų143.691%0.90880%0.802SS**  -147.8133.4121.6-41.8175.4000109.5
338S33.2Very low35.5Very low100 Ų100145.1 Ų145.170%0.69981%0.807SS**  trans-89.9143.8-161.9-50.90000115.6
339L35.7Very low35.6Very low164 Ų164145.7 Ų145.786%0.85982%0.817SS**  trans-71.3131.9162.1-9670.7000110.6T341L339-T341 PolarHBondContact O-N 3.07Å
340S34.3Very low36Very low127 Ų127145.4 Ų145.489%0.88882%0.821SS**  trans-89.4101.9173.8-650000110.9
341T34.8Very low36.5Very low126 Ų126146.3 Ų146.377%0.77383%0.825SS**PPolyproline II helixtrans-84.7127.6165.546.50000109.7L339 K343L339-T341 PolarHBondContact O-N 3.07Å; T341-K343 PolarHBondContact O-N 3.1Å
342K37.8Very low36.9Very low216 Ų216147 Ų14794%0.93983%0.829SS**PPolyproline II helixtrans-62.1120.6178.3-73.4-177.2173.2179.90110.5
343K37.8Very low37.1Very low206 Ų206148.4 Ų148.490%0.89683%0.833SS**PPolyproline II helixtrans-76.9127172-87.6-175.5172.3175.90111.1T341T341-K343 PolarHBondContact O-N 3.1Å
344K41.4Very low37.6Very low208 Ų208148.1 Ų148.190%0.90483%0.832SS**PPolyproline II helixtrans-64141.9154.4-77.6175.8170.91760110.2
345K41.9Very low37.7Very low202 Ų202144.2 Ų144.288%0.87883%0.825SS**  trans-143.2164.3161.9-117.1-164.5173.9-177.90109.3
346P42.1Very low38.4Very low107 Ų107147 Ų14770%0.69583%0.829SS**  -106.2168.8-122.132.6-16.9000114.8
347K37.3Very low39.1Very low216 Ų216149.8 Ų149.894%0.93983%0.83SS**  trans-50.5130.7171.2-105.8170.8171.6174.50112.5
348T39.2Very low39.7Very low139 Ų139149.1 Ų149.185%0.85383%0.829SS**  trans-125.9140.5158.648.30000109.1
349A36Very low40.4Very low104 Ų104153.1 Ų153.186%0.8684%0.836SS**  trans-71159.8-172.300000113.9
350A40.1Very low40.9Very low97 Ų97154 Ų15480%0.80284%0.841SS**  trans-69.1156.2-171.800000115.3
351P43.6Very low41.4Very low127 Ų127159 Ų15983%0.82586%0.858SS**  trans-104.6130.6144.133-22.9000111
352S40.5Very low41.7Very low109 Ų109160.7 Ų160.776%0.76286%0.862SS**  trans-81.9131.8169.950.70000111.1
353V38.6Very low41.9Very low139 Ų139157.8 Ų157.884%0.84286%0.858SS**  trans169.7140.6151-83.40000107.5
354S40Very low42.1Very low105 Ų105155.1 Ų155.173%0.73486%0.856SS**  cis-163.6140.9-11.722.80000105.7
355S38.3Very low42.2Very low101 Ų101152 Ų15271%0.70685%0.853SS**  trans-66.5131.4-177-171.50000111.4Y357S355-Y357 PolarHBondContact O-N 3.14Å
356I47.6Very low42.2Very low168 Ų168148.9 Ų148.986%0.86285%0.852SS**SBendtrans-90.440178.7-40.4174.9000110
357Y45.7Very low42.2Very low207 Ų207151.7 Ų151.781%0.81286%0.862SS**  trans-130.844.3-171.3-109.7-77.2000112.9S355S355-Y357 PolarHBondContact O-N 3.14Å
358D47.5Very low42.5Very low163 Ų163147.1 Ų147.187%0.87286%0.857SS**  trans-13823.9172.5-90.2-44.3000113.2
359E47.5Very low42.8Very low185 Ų185147.7 Ų147.786%0.86486%0.857SS**SBendtrans-121.334.1178.7-145.1176.9-175.100113.9
360L46.1Very low43.4Very low182 Ų182151.3 Ų151.395%0.95386%0.857SS**  trans-149.276.1160.7-89.2116.3000109.8
361N45Very low43.7Very low233 Ų233156.3 Ų156.3100%1.24686%0.862SS**  trans-151.80149.3-167.278.9000111.7

Retrieved 361 of 361 residues in 166.3 ms (Link to these results)

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