A0A093HPM0_STRCA Loading...

Claudin-12

AlphaFold DB , UniProt , Accession A0A093HPM0, Species STRCA (Struthio camelus australis), Gene n/a, Length 245 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
1M36.6Very low64.9Low230 Ų23089.8 Ų89.8100%1.13351%0.507SS*.  0122.60-79.8169.7165.100107.4
2G49.3Very low67.1Low70 Ų7089.7 Ų89.772%0.72250%0.503SS*.  trans-79.2147.5179.400000111.4R4G2-R4 PolarHBondContact O-N 3.18Å
3C55.8Low69.2Low33 Ų3382.8 Ų82.822%0.22346%0.464CS..  trans-7071-177.4-61.10000111.7V6 C199C3-V6 HydrophobicContact CB-CB 4.33Å; C3-V6 HydrophobicContact CB-CG2 3.68Å; C3-C199 HydrophobicContact CB-CB 4.15Å; C3-C199 WeakPolarHBondContact CB-SG 3.43Å; C3-C199 WeakPolarHBondContact SG-CA 3.42Å; C3-C199 WeakPolarHBondContact SG-CB 3.33Å; C3-C199 CovalentContact SG-SG 2.04Å; C3-C199 PolarHBondContact SG-SG 2.93Å
4R49.6Very low71Confident218 Ų21880.6 Ų80.682%0.82345%0.447SS*.THydrogen-bonded Turntrans-76.2-23.9-168.3-151.7172.4166.3151.8-2.6113.9G2G2-R4 PolarHBondContact O-N 3.18Å
5D51Low72.7Confident155 Ų15582.1 Ų82.183%0.82945%0.454SS*.THydrogen-bonded Turntrans-106.42.2-177.2-59.9-43.7000114
6V59Low74.2Confident40 Ų4078.4 Ų78.424%0.24244%0.435CS..THydrogen-bonded Turntrans-98.513.7-167.7-145.30000113.1C3 A8 W195C3-V6 HydrophobicContact CB-CB 4.33Å; C3-V6 HydrophobicContact CB-CG2 3.68Å; V6-A8 PolarHBondContact O-N 3.1Å; V6-W195 HydrophobicContact CG1-CG 4.16Å; V6-W195 VanDerWaalsContact O-CD1 3.22Å; V6-W195 PolarHBondContact O-NE1 2.85Å
7H70Confident75.6Confident66 Ų6673.8 Ų73.831%0.30641%0.409SS..Hα-helixtrans-70.6-28.1-178-67.4-50.1000113.7A9 T10 V11H7-A9 VanDerWaalsContact C-N 3.31Å; H7-A9 PolarHBondContact O-N 2.93Å; H7-T10 PolarHBondContact O-N 3.45Å; H7-T10 PolarHBondContact O-OG1 3.31Å; H7-V11 VanDerWaalsContact O-CG2 3.3Å; H7-V11 WeakPolarHBondContact O-CG2 3.5Å; H7-V11 PolarHBondContact O-N 3.11Å
8A80.7Confident76.9Confident77 Ų7772.9 Ų72.964%0.63641%0.407SS*.Hα-helixtrans-61.8-39179.900000112.3V6 V11 L12V6-A8 PolarHBondContact O-N 3.1Å; A8-V11 PolarHBondContact O-N 3.27Å; A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.42Å
9A84.9Confident78Confident27 Ų2772.5 Ų72.522%0.22341%0.413CS..Hα-helixtrans-68.9-41.318000000112.4H7 L12 A13H7-A9 VanDerWaalsContact C-N 3.31Å; H7-A9 PolarHBondContact O-N 2.93Å; A9-L12 PolarHBondContact O-N 3.22Å; A9-A13 VanDerWaalsContact O-CB 3.24Å; A9-A13 WeakPolarHBondContact O-CB 3.4Å; A9-A13 PolarHBondContact O-N 3Å
10T86.7Confident79Confident2 Ų269.3 Ų69.31%0.01240%0.396CS..Hα-helixtrans-68.1-36.417746.40000112.3H7 F14 W195H7-T10 PolarHBondContact O-N 3.45Å; H7-T10 PolarHBondContact O-OG1 3.31Å; T10-F14 WeakPolarHBondContact O-CB 3.41Å; T10-F14 PolarHBondContact O-N 3.19Å; T10-W195 HydrophobicContact CG2-CD2 3.78Å; T10-W195 HydrophobicContact CG2-CE3 4.45Å; T10-W195 HydrophobicContact CG2-CG 3.93Å; T10-W195 HydrophobicContact CG2-CZ2 4.06Å
11V90.2Very high79.9Confident70 Ų7066.9 Ų66.942%0.42438%0.382SS..Hα-helixtrans-68.5-45.7175.1172.70000110.6H7 A8 A13 F14 L15 M108H7-V11 VanDerWaalsContact O-CG2 3.3Å; H7-V11 WeakPolarHBondContact O-CG2 3.5Å; H7-V11 PolarHBondContact O-N 3.11Å; A8-V11 PolarHBondContact O-N 3.27Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 3.4Å; V11-F14 WeakPolarHBondContact O-CB 3.37Å; V11-F14 PolarHBondContact O-N 3.43Å; V11-F14 VanDerWaalsContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 4.13Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.01Å; V11-M108 HydrophobicContact CG2-SD 4.18Å
12L92Very high82.9Confident88 Ų8858.7 Ų58.746%0.46135%0.351SS..Hα-helixtrans-62.2-41.2176.6-177.262.3000111.7A8 A9 F14 L15 S16A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.42Å; A9-L12 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-S16 WeakPolarHBondContact O-CB 3.47Å; L12-S16 PolarHBondContact O-N 2.88Å; L12-S16 PolarHBondContact O-OG 3.46Å
13A94.2Very high85.2Confident0 Ų056.1 Ų56.10%032%0.324CS..Hα-helixtrans-60.1-43.5173.100000111.4A9 V11 S16 G17 T188 M191 L192A9-A13 VanDerWaalsContact O-CB 3.24Å; A9-A13 WeakPolarHBondContact O-CB 3.4Å; A9-A13 PolarHBondContact O-N 3Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 3.4Å; A13-S16 WeakPolarHBondContact CA-OG 3.42Å; A13-S16 PolarHBondContact O-OG 3.22Å; A13-S16 VanDerWaalsContact O-OG 3.08Å; A13-G17 PolarHBondContact O-N 3.45Å; A13-T188 HydrophobicContact CB-CG2 4.06Å; A13-T188 WeakPolarHBondContact O-CG2 3.22Å; A13-M191 HydrophobicContact CB-CB 4.16Å; A13-L192 HydrophobicContact CB-CD2 3.79Å; A13-L192 HydrophobicContact CB-CG 3.94Å
14F94.5Very high87.2Confident52 Ų5254.5 Ų54.523%0.22831%0.314CS..Hα-helixtrans-64.2-44.7177.1-179.2-100.9000112.9T10 V11 L12 G17 T18 L101 C104 L105 M108T10-F14 WeakPolarHBondContact O-CB 3.41Å; T10-F14 PolarHBondContact O-N 3.19Å; V11-F14 WeakPolarHBondContact O-CB 3.37Å; V11-F14 PolarHBondContact O-N 3.43Å; V11-F14 VanDerWaalsContact O-N 3.16Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-G17 PolarHBondContact O-N 2.91Å; F14-T18 WeakPolarHBondContact O-CB 3.47Å; F14-T18 PolarHBondContact O-N 2.74Å; F14-T18 PolarHBondContact O-OG1 2.81Å; F14-L101 HydrophobicContact CD2-CD2 3.78Å; F14-L101 HydrophobicContact CE2-CB 4.45Å; F14-L101 HydrophobicContact CE2-CD2 3.93Å; F14-C104 HydrophobicContact CD2-CB 4.15Å; F14-L105 HydrophobicContact CE2-CB 4.2Å; F14-M108 HydrophobicContact CB-CE 3.62Å; F14-M108 HydrophobicContact CB-SD 4.04Å; F14-M108 HydrophobicContact CD1-CE 3.94Å; F14-M108 HydrophobicContact CD2-CE 3.55Å; F14-M108 HydrophobicContact CE2-CE 4.17Å; F14-M108 HydrophobicContact CG-CE 3.41Å; F14-M108 VanDerWaalsContact CG-CE 3.41Å; F14-M108 HydrophobicContact CG-SD 4.46Å
15L96.3Very high89.5Confident104 Ų10448 Ų4855%0.54530%0.295SS..Hα-helixtrans-64.9-45.6178.3-67.9175.1000111.8V11 L12 T18 A19V11-L15 HydrophobicContact CG1-CD1 4.13Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.28Å; L15-T18 PolarHBondContact O-N 3.35Å; L15-A19 PolarHBondContact O-N 3.49Å
16S97.1Very high91.7Very high22 Ų2242.5 Ų42.515%0.15427%0.271CS..Hα-helixtrans-65.2-40.6177520000112.4L12 A13 T18 A19 S20 T188L12-S16 WeakPolarHBondContact O-CB 3.47Å; L12-S16 PolarHBondContact O-N 2.88Å; L12-S16 PolarHBondContact O-OG 3.46Å; A13-S16 WeakPolarHBondContact CA-OG 3.42Å; A13-S16 PolarHBondContact O-OG 3.22Å; A13-S16 VanDerWaalsContact O-OG 3.08Å; S16-T18 VanDerWaalsContact C-N 3.35Å; S16-T18 PolarHBondContact O-N 3.28Å; S16-A19 PolarHBondContact O-N 2.96Å; S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.84Å; S16-S20 PolarHBondContact O-OG 3.02Å; S16-T188 PolarHBondContact OG-OG1 2.93Å; S16-T188 VanDerWaalsContact OG-OG1 3.13Å
17G97.8Very high93.5Very high0 Ų040.6 Ų40.60%026%0.259CS..Hα-helixtrans-60.9-42.3172.500000112.3A13 F14 S20 V21 T188A13-G17 PolarHBondContact O-N 3.45Å; F14-G17 PolarHBondContact O-N 2.91Å; G17-S20 PolarHBondContact O-N 3.17Å; G17-V21 WeakPolarHBondContact O-CG2 3.33Å; G17-V21 PolarHBondContact O-N 3.17Å; G17-T188 PolarHBondContact N-OG1 3.5Å
18T98Very high94.8Very high59 Ų5937.9 Ų37.936%0.36225%0.247SC..Hα-helixtrans-64.4-46.5177.8-57.30000111.4F14 L15 S16 S20 V21 A22F14-T18 WeakPolarHBondContact O-CB 3.47Å; F14-T18 PolarHBondContact O-N 2.74Å; F14-T18 PolarHBondContact O-OG1 2.81Å; L15-T18 PolarHBondContact O-N 3.35Å; S16-T18 VanDerWaalsContact C-N 3.35Å; S16-T18 PolarHBondContact O-N 3.28Å; T18-S20 VanDerWaalsContact C-N 3.28Å; T18-S20 PolarHBondContact O-N 2.95Å; T18-V21 PolarHBondContact O-N 3.14Å; T18-A22 PolarHBondContact O-N 3.08Å
19A98.4Very high95.5Very high64 Ų6439.5 Ų39.553%0.52924%0.244SC..Hα-helixtrans-60.4-39.3175.600000111.9L15 S16 A22 G23L15-A19 PolarHBondContact O-N 3.49Å; S16-A19 PolarHBondContact O-N 2.96Å; A19-A22 PolarHBondContact O-N 2.82Å; A19-G23 PolarHBondContact O-N 3.49Å
20S98.3Very high95.9Very high9 Ų941 Ų416%0.06325%0.248CC..Hα-helixtrans-66-40.6177.3-55.50000112.2S16 G17 T18 G23 L24 S181 G184 L185S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.84Å; S16-S20 PolarHBondContact O-OG 3.02Å; G17-S20 PolarHBondContact O-N 3.17Å; T18-S20 VanDerWaalsContact C-N 3.28Å; T18-S20 PolarHBondContact O-N 2.95Å; S20-G23 PolarHBondContact O-N 3.04Å; S20-L24 PolarHBondContact O-N 3.11Å; S20-S181 WeakPolarHBondContact CB-O 3.33Å; S20-S181 WeakPolarHBondContact O-CB 3.19Å; S20-G184 VanDerWaalsContact OG-CA 3.27Å; S20-G184 WeakPolarHBondContact OG-CA 3.29Å; S20-L185 PolarHBondContact OG-N 3.31Å
21V98.4Very high96.2Very high19 Ų1942.3 Ų42.312%0.11526%0.257CS..Hα-helixtrans-64.8-41.2174.5169.20000111.4G17 T18 G23 L24 L25 M94 A97 V98 L101G17-V21 WeakPolarHBondContact O-CG2 3.33Å; G17-V21 PolarHBondContact O-N 3.17Å; T18-V21 PolarHBondContact O-N 3.14Å; V21-G23 VanDerWaalsContact C-N 3.33Å; V21-G23 PolarHBondContact O-N 3.5Å; V21-L24 PolarHBondContact O-N 2.91Å; V21-L25 PolarHBondContact O-N 3.1Å; V21-M94 HydrophobicContact CG1-CG 4.23Å; V21-A97 HydrophobicContact CG2-CB 3.59Å; V21-V98 HydrophobicContact CG1-CG2 3.86Å; V21-L101 HydrophobicContact CB-CD1 4.22Å; V21-L101 HydrophobicContact CG2-CD1 3.72Å
22A98.3Very high96.3Very high58 Ų5840.3 Ų40.348%0.47924%0.244SC..Hα-helixtrans-62.6-40.5175.100000112.1T18 A19 L25 A26T18-A22 PolarHBondContact O-N 3.08Å; A19-A22 PolarHBondContact O-N 2.82Å; A22-L25 PolarHBondContact O-N 3.42Å; A22-A26 PolarHBondContact O-N 2.66Å
23G97.9Very high96.5Very high15 Ų1536.1 Ų36.116%0.15522%0.222CC..Hα-helixtrans-62.9-44.4173.300000112.7A19 S20 V21 L25 A26 A27 I177 S181A19-G23 PolarHBondContact O-N 3.49Å; S20-G23 PolarHBondContact O-N 3.04Å; V21-G23 VanDerWaalsContact C-N 3.33Å; V21-G23 PolarHBondContact O-N 3.5Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.26Å; G23-A26 PolarHBondContact O-N 2.83Å; G23-A27 PolarHBondContact O-N 2.77Å; G23-I177 WeakPolarHBondContact O-CG2 3.36Å; G23-S181 VanDerWaalsContact C-OG 3.26Å; G23-S181 VanDerWaalsContact CA-OG 3.31Å; G23-S181 WeakPolarHBondContact CA-OG 3.21Å
24L97.8Very high96.5Very high0 Ų036.2 Ų36.20%022%0.222CC..Hα-helixtrans-59.5-43.4173.5-76.1-179.3000112S20 V21 A26 A27 V28 L90 C147 S181 L185S20-L24 PolarHBondContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 2.91Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.72Å; L24-A27 PolarHBondContact O-N 2.94Å; L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 2.88Å; L24-L90 HydrophobicContact CD2-CD2 3.95Å; L24-C147 HydrophobicContact CD2-CB 4.2Å; L24-S181 PolarHBondContact N-OG 3.3Å; L24-L185 HydrophobicContact CD1-CD1 3.78Å
25L98.1Very high96.5Very high81 Ų8135.5 Ų35.542%0.42422%0.22SC..Hα-helixtrans-59.9-44.8176-179.863.3000111.3V21 A22 G23 A27 V28 L29 M94V21-L25 PolarHBondContact O-N 3.1Å; A22-L25 PolarHBondContact O-N 3.42Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.26Å; L25-A27 PolarHBondContact O-N 3.2Å; L25-V28 PolarHBondContact O-N 2.85Å; L25-L29 HydrophobicContact CD1-CD1 4.03Å; L25-L29 HydrophobicContact CD1-CG 4.35Å; L25-L29 HydrophobicContact CG-CD1 4.15Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 2.8Å; L25-L29 VanDerWaalsContact O-N 3.11Å; L25-M94 HydrophobicContact CB-SD 4.07Å; L25-M94 HydrophobicContact CD1-CE 4.46Å; L25-M94 HydrophobicContact CD1-SD 3.96Å
26A97.6Very high96.3Very high39 Ų3933.2 Ų33.232%0.32221%0.207SC..Hα-helixtrans-60.7-45.4175.500000111.7A22 G23 L24 V28 L29 L30A22-A26 PolarHBondContact O-N 2.66Å; G23-A26 PolarHBondContact O-N 2.83Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.72Å; A26-V28 VanDerWaalsContact C-N 3.3Å; A26-V28 PolarHBondContact O-N 2.82Å; A26-L29 PolarHBondContact O-N 3.3Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 VanDerWaalsContact O-CG 3.24Å; A26-L30 WeakPolarHBondContact O-CG 3.37Å; A26-L30 PolarHBondContact O-N 2.86Å
27A96.9Very high96Very high0 Ų036.8 Ų36.80%022%0.217CC..Hα-helixtrans-63.1-35.9177.500000112.5G23 L24 L25 W33 I177 A178G23-A27 PolarHBondContact O-N 2.77Å; L24-A27 PolarHBondContact O-N 2.94Å; L25-A27 PolarHBondContact O-N 3.2Å; A27-W33 HydrophobicContact CB-CZ2 4.07Å; A27-W33 PolarHBondContact O-NE1 2.91Å; A27-I177 HydrophobicContact CB-CB 4.36Å; A27-I177 HydrophobicContact CB-CG2 4.05Å; A27-A178 HydrophobicContact CB-CB 3.99Å
28V96.6Very high95.6Very high10 Ų1040.7 Ų40.76%0.06124%0.237CC..Hα-helixtrans-64-40.5175.3168.40000111.3L24 L25 A26 W55 L90L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 2.88Å; L25-V28 PolarHBondContact O-N 2.85Å; A26-V28 VanDerWaalsContact C-N 3.3Å; A26-V28 PolarHBondContact O-N 2.82Å; V28-W55 HydrophobicContact CG1-CZ2 4.17Å; V28-W55 VanDerWaalsContact CG1-NE1 3.28Å; V28-W55 PolarHBondContact O-NE1 2.97Å; V28-L90 HydrophobicContact CG2-CB 3.51Å; V28-L90 HydrophobicContact CG2-CD1 4.15Å; V28-L90 HydrophobicContact CG2-CG 4.46Å
29L95.4Very high95.1Very high110 Ų11044.4 Ų44.458%0.57625%0.246SC*.Hα-helixtrans-86.8-29.1-173.2-64.5175.8000114.1L25 A26L25-L29 HydrophobicContact CD1-CD1 4.03Å; L25-L29 HydrophobicContact CD1-CG 4.35Å; L25-L29 HydrophobicContact CG-CD1 4.15Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 2.8Å; L25-L29 VanDerWaalsContact O-N 3.11Å; A26-L29 PolarHBondContact O-N 3.3Å
30L94.1Very high94.5Very high59 Ų5943.4 Ų43.431%0.30923%0.233SC..  trans-72.2134.5-175.1-76.4169.9000112.8A26 N32 S174 I177A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 VanDerWaalsContact O-CG 3.24Å; A26-L30 WeakPolarHBondContact O-CG 3.37Å; A26-L30 PolarHBondContact O-N 2.86Å; L30-N32 PolarHBondContact O-N 2.69Å; L30-S174 VanDerWaalsContact CB-OG 3.25Å; L30-S174 WeakPolarHBondContact CB-OG 3.45Å; L30-S174 PolarHBondContact O-OG 3.48Å; L30-I177 HydrophobicContact CD1-CD1 3.79Å
31P91.8Very high93.8Very high29 Ų2952.8 Ų52.819%0.18827%0.273CS..SBendtrans-76.316.8178.632.1-35.6000114.6Y51 T52 G53 I56P31-Y51 CarbonylContact O-C 3.28Å; P31-T52 CarbonylContact O-C 3.56Å; P31-G53 PolarHBondContact O-N 3.46Å; P31-I56 HydrophobicContact CB-CD1 3.85Å; P31-I56 HydrophobicContact CB-CG1 3.93Å; P31-I56 HydrophobicContact CG-CD1 4.13Å
32N93.3Very high93.4Very high28 Ų2855.1 Ų55.115%0.1529%0.285CS..  trans-110.146.4-164.1-64.491000112.6L30 Y51 D172 I173 S174L30-N32 PolarHBondContact O-N 2.69Å; N32-Y51 WeakPolarHBondContact ND2-CD1 3.5Å; N32-Y51 WeakPolarHBondContact ND2-CE1 3.42Å; N32-D172 HydrophobicContact CB-CB 4.16Å; N32-D172 WeakPolarHBondContact CB-OD2 3.47Å; N32-D172 PolarHBondContact ND2-OD2 3.45Å; N32-D172 CarbonylContact O-C 3.51Å; N32-D172 VanDerWaalsContact O-C 3.28Å; N32-D172 VanDerWaalsContact O-CB 3.31Å; N32-D172 WeakPolarHBondContact O-CB 3.42Å; N32-I173 HydrophobicContact CB-CG2 3.71Å; N32-S174 VanDerWaalsContact C-OG 3.31Å; N32-S174 VanDerWaalsContact O-CB 3.23Å; N32-S174 WeakPolarHBondContact O-CB 3.5Å; N32-S174 PolarHBondContact O-N 2.7Å; N32-S174 VanDerWaalsContact O-N 3.14Å; N32-S174 PolarHBondContact O-OG 3.3Å
33W95.6Very high92.6Very high0 Ų062 Ų620%030%0.304CS..SBendtrans-89.1-45.2177.6-82.186.9000112.5A27 T52 L54 L83 L86 L90 V154 V175 A178A27-W33 HydrophobicContact CB-CZ2 4.07Å; A27-W33 PolarHBondContact O-NE1 2.91Å; W33-T52 WeakPolarHBondContact CB-O 3.46Å; W33-T52 PolarHBondContact N-O 3.25Å; W33-T52 VanDerWaalsContact N-O 3.15Å; W33-L54 HydrophobicContact CD2-CD2 4.31Å; W33-L54 HydrophobicContact CG-CD2 4.24Å; W33-L54 HydrophobicContact CG-CG 4.32Å; W33-L54 HydrophobicContact CZ2-CD1 4.34Å; W33-L83 HydrophobicContact CB-CD2 4.22Å; W33-L86 HydrophobicContact CD2-CD1 4.19Å; W33-L86 HydrophobicContact CE3-CD1 3.52Å; W33-L86 HydrophobicContact CH2-CD1 4.04Å; W33-L86 HydrophobicContact CH2-CD2 3.77Å; W33-L86 HydrophobicContact CZ3-CD1 3.43Å; W33-L86 VanDerWaalsContact CZ3-CD1 3.43Å; W33-L86 HydrophobicContact CZ3-CD2 3.88Å; W33-L86 HydrophobicContact CZ3-CG 4.32Å; W33-L90 HydrophobicContact CH2-CD1 3.76Å; W33-L90 HydrophobicContact CZ2-CD1 3.35Å; W33-V154 HydrophobicContact CE3-CG2 4.42Å; W33-V175 HydrophobicContact CD2-CG2 4.49Å; W33-V175 HydrophobicContact CE3-CG2 3.59Å; W33-V175 HydrophobicContact CZ3-CG2 3.88Å; W33-A178 HydrophobicContact CH2-CB 3.49Å; W33-A178 VanDerWaalsContact CH2-CB 3.49Å; W33-A178 HydrophobicContact CZ2-CB 4.03Å; W33-A178 HydrophobicContact CZ3-CB 4.45Å
34R94.6Very high91.9Very high2 Ų268.7 Ų68.71%0.00834%0.336CS..EExtended strand (participates in β ladder)trans-136.2131.4177.7169.6-179.4-73.5132.813.4109.5T52 D82 N158 F169 S170R34-T52 PolarHBondContact N-O 2.67Å; R34-T52 VanDerWaalsContact N-O 3.09Å; R34-T52 WeakPolarHBondContact O-CA 3.39Å; R34-T52 WeakPolarHBondContact O-CB 3.41Å; R34-T52 PolarHBondContact O-N 2.69Å; R34-D82 IonicContact CZ-OD2 3.3Å; R34-D82 VanDerWaalsContact CZ-OD2 3.3Å; R34-D82 IonicContact NH1-OD1 3.5Å; R34-D82 PolarHBondContact NH1-OD1 3.33Å; R34-D82 IonicContact NH1-OD2 3.06Å; R34-D82 PolarHBondContact NH1-OD2 3.01Å; R34-D82 IonicContact NH2-OD2 2.66Å; R34-D82 PolarHBondContact NH2-OD2 2.7Å; R34-N158 PolarHBondContact NE-OD1 3.12Å; R34-N158 PolarHBondContact NH2-OD1 2.9Å; R34-F169 HydrophobicContact CG-CD1 4.34Å; R34-S170 CarbonylContact C-O 3.42Å; R34-S170 WeakPolarHBondContact CA-O 3.28Å
35Q94Very high91.3Very high38 Ų3874 Ų7418%0.17836%0.361CS..EExtended strand (participates in β ladder)trans-105.3143.5170.5-70.6175.7-400109.5T49 V50 Y51 F169 S170 D172Q35-T49 HydrophobicContact CB-CG2 4.41Å; Q35-V50 CarbonylContact C-O 3.19Å; Q35-V50 VanDerWaalsContact CA-O 3.26Å; Q35-V50 WeakPolarHBondContact CA-O 3.26Å; Q35-Y51 HydrophobicContact CG-CD1 3.9Å; Q35-Y51 HydrophobicContact CG-CE1 3.63Å; Q35-Y51 PolarHBondContact NE2-OH 2.7Å; Q35-F169 WeakPolarHBondContact O-CA 3.5Å; Q35-S170 WeakPolarHBondContact CB-OG 3.39Å; Q35-S170 PolarHBondContact N-O 3.08Å; Q35-S170 PolarHBondContact O-N 2.87Å; Q35-S170 PolarHBondContact OE1-OG 2.71Å; Q35-D172 HydrophobicContact CG-CB 3.89Å; Q35-D172 PolarHBondContact NE2-OD1 3.31Å; Q35-D172 PolarHBondContact NE2-OD2 3.47Å
36M92.8Very high90.8Very high55 Ų5577.2 Ų77.227%0.27137%0.372SS..EExtended strand (participates in β ladder)trans-127.9120.1167.3-176.9-172.1-171.100108L38 T49 V50 V168 F169M36-L38 HydrophobicContact CE-CD2 3.62Å; M36-L38 HydrophobicContact CG-CD2 4.39Å; M36-L38 HydrophobicContact SD-CD2 4.21Å; M36-T49 WeakPolarHBondContact O-CA 3.41Å; M36-V50 HydrophobicContact CB-CB 4.32Å; M36-V50 PolarHBondContact N-O 3.44Å; M36-V50 PolarHBondContact O-N 2.67Å; M36-V168 WeakPolarHBondContact CA-O 3.15Å; M36-V168 HydrophobicContact CE-CG2 3.9Å; M36-V168 HydrophobicContact CG-CG2 4.21Å; M36-F169 HydrophobicContact CB-CD1 4.1Å; M36-F169 HydrophobicContact CB-CE1 4.16Å; M36-F169 HydrophobicContact CE-CE1 4.33Å; M36-F169 HydrophobicContact CE-CZ 4.13Å; M36-F169 HydrophobicContact CG-CD1 4.17Å; M36-F169 HydrophobicContact CG-CE1 3.94Å; M36-F169 HydrophobicContact SD-CE1 3.86Å; M36-F169 HydrophobicContact SD-CZ 4.24Å
37R91.1Very high90.5Very high97 Ų9777.3 Ų77.337%0.36637%0.367SS..EExtended strand (participates in β ladder)trans-102.6120179.3-168.7163.9-178.6-155.88.7110.2Y39 D62 V168R37-Y39 HydrophobicContact CB-CE2 4.32Å; R37-Y39 WeakPolarHBondContact CD-OH 3.5Å; R37-Y39 HydrophobicContact CG-CE1 4.17Å; R37-Y39 HydrophobicContact CG-CE2 4.04Å; R37-Y39 PolarHBondContact NH1-OH 3.31Å; R37-D62 IonicContact CZ-OD2 3.18Å; R37-D62 IonicContact NE-OD1 3.93Å; R37-D62 IonicContact NE-OD2 2.86Å; R37-D62 PolarHBondContact NE-OD2 3.46Å; R37-D62 IonicContact NH2-OD2 2.69Å; R37-D62 PolarHBondContact NH2-OD2 3.06Å; R37-V168 PolarHBondContact N-O 2.89Å
38L89.2Confident90.3Very high82 Ų8279.1 Ų79.143%0.42938%0.378SS..EExtended strand (participates in β ladder)trans-100.8113.6179.1-61.4173.2000108.5M36 V48 V50M36-L38 HydrophobicContact CE-CD2 3.62Å; M36-L38 HydrophobicContact CG-CD2 4.39Å; M36-L38 HydrophobicContact SD-CD2 4.21Å; L38-V48 PolarHBondContact N-O 3.28Å; L38-V48 PolarHBondContact O-N 3.07Å; L38-V48 VanDerWaalsContact O-N 3.14Å; L38-V50 HydrophobicContact CD1-CG2 4.36Å
39Y86.8Confident90.1Very high137 Ų13778.9 Ų78.954%0.53738%0.376SS..  trans-90.7130176.1-63.3-80.6000109.7R37R37-Y39 HydrophobicContact CB-CE2 4.32Å; R37-Y39 WeakPolarHBondContact CD-OH 3.5Å; R37-Y39 HydrophobicContact CG-CE1 4.17Å; R37-Y39 HydrophobicContact CG-CE2 4.04Å; R37-Y39 PolarHBondContact NH1-OH 3.31Å
40T86.1Confident90.1Very high43 Ų4374.6 Ų74.626%0.26435%0.354SS..  trans-98.3136.4170.2-176.80000109.3N42 E45 N47T40-N42 VanDerWaalsContact C-N 3.25Å; T40-N42 PolarHBondContact OG1-N 3.34Å; T40-E45 HydrophobicContact CG2-CB 3.5Å; T40-E45 VanDerWaalsContact CG2-CB 3.5Å; T40-E45 WeakPolarHBondContact CG2-O 3.5Å; T40-E45 PolarHBondContact OG1-OE2 3.48Å; T40-N47 PolarHBondContact N-OD1 3.18Å
41F84.1Confident90.1Very high207 Ų20772.3 Ų72.391%0.90834%0.342SS*.SBendtrans-81.6-10.1174-65.4-79.1000112.1K43F41-K43 PolarHBondContact O-N 3.19Å
42N88.6Confident90.2Very high67 Ų6771.4 Ų71.436%0.35834%0.336SS..  trans-78.1116.7175.4-174.8-2.1000109.9T40 N44 E45T40-N42 VanDerWaalsContact C-N 3.25Å; T40-N42 PolarHBondContact OG1-N 3.34Å; N42-N44 PolarHBondContact O-N 3.1Å; N42-N44 VanDerWaalsContact O-N 3.08Å; N42-N44 PolarHBondContact OD1-N 3.5Å; N42-N44 VanDerWaalsContact OD1-N 3.11Å; N42-E45 HydrophobicContact CB-CB 4.28Å; N42-E45 HydrophobicContact CB-CG 4.25Å; N42-E45 PolarHBondContact ND2-OE1 3.04Å; N42-E45 PolarHBondContact O-N 3.46Å; N42-E45 VanDerWaalsContact O-N 3.1Å
43K81.8Confident90.3Very high204 Ų20470 Ų7089%0.88733%0.329SS*.THydrogen-bonded Turntrans-61.8-18.2179.6-67.8-175179.7178.50113.9F41F41-K43 PolarHBondContact O-N 3.19Å
44N83.8Confident90.3Very high154 Ų15470.1 Ų70.182%0.82433%0.329SS*.THydrogen-bonded Turntrans-89-10.8-179.3-62.4-27.7000113N42N42-N44 PolarHBondContact O-N 3.1Å; N42-N44 VanDerWaalsContact O-N 3.08Å; N42-N44 PolarHBondContact OD1-N 3.5Å; N42-N44 VanDerWaalsContact OD1-N 3.11Å
45E85.4Confident90.3Very high113 Ų11373.9 Ų73.953%0.52834%0.343SS..SBendtrans-104.3148-179.5-72.9169.2-157.800111T40 N42T40-E45 HydrophobicContact CG2-CB 3.5Å; T40-E45 VanDerWaalsContact CG2-CB 3.5Å; T40-E45 WeakPolarHBondContact CG2-O 3.5Å; T40-E45 PolarHBondContact OG1-OE2 3.48Å; N42-E45 HydrophobicContact CB-CB 4.28Å; N42-E45 HydrophobicContact CB-CG 4.25Å; N42-E45 PolarHBondContact ND2-OE1 3.04Å; N42-E45 PolarHBondContact O-N 3.46Å; N42-E45 VanDerWaalsContact O-N 3.1Å
46K87Confident90.4Very high147 Ų14773.8 Ų73.864%0.63934%0.343SS*.  trans-89.2140.9175-68.4-174.8179.2-179.30109.9F61K46-F61 HydrophobicContact CB-CB 4.33Å; K46-F61 HydrophobicContact CB-CD1 3.82Å; K46-F61 HydrophobicContact CB-CG 4.33Å; K46-F61 HydrophobicContact CD-CB 4.35Å
47N91.1Very high90.5Very high42 Ų4274.3 Ų74.323%0.22534%0.344CS..  trans-59.3147.5169.2-63.7-27.5000110.5T40 F61 D62T40-N47 PolarHBondContact N-OD1 3.18Å; N47-F61 WeakPolarHBondContact O-CA 3.23Å; N47-D62 HydrophobicContact CB-CB 4.26Å; N47-D62 VanDerWaalsContact CB-OD2 3.23Å; N47-D62 WeakPolarHBondContact CB-OD2 3.31Å; N47-D62 PolarHBondContact O-N 3.3Å
48V92.6Very high90.6Very high37 Ų3770 Ų7022%0.22433%0.329CS..EExtended strand (participates in β ladder)trans-118.6130.8-178.9177.10000108.8L38 V50 A59 R60 F61L38-V48 PolarHBondContact N-O 3.28Å; L38-V48 PolarHBondContact O-N 3.07Å; L38-V48 VanDerWaalsContact O-N 3.14Å; V48-V50 HydrophobicContact CG1-CG2 4.36Å; V48-A59 HydrophobicContact CG1-CB 4.17Å; V48-R60 WeakPolarHBondContact CA-O 3.48Å; V48-F61 HydrophobicContact CG2-CD1 3.6Å; V48-F61 HydrophobicContact CG2-CE1 3.6Å
49T93.8Very high90.9Very high5 Ų566.6 Ų66.63%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-111.2124.4171.4-58.20000109.7Q35 M36 Y51 R60 D62Q35-T49 HydrophobicContact CB-CG2 4.41Å; M36-T49 WeakPolarHBondContact O-CA 3.41Å; T49-Y51 HydrophobicContact CG2-CD2 4.28Å; T49-Y51 HydrophobicContact CG2-CE2 3.44Å; T49-Y51 VanDerWaalsContact CG2-CE2 3.44Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.26Å; T49-R60 PolarHBondContact N-O 3.08Å; T49-R60 PolarHBondContact O-N 2.94Å; T49-D62 PolarHBondContact OG1-OD1 3.33Å
50V94.2Very high91.2Very high20 Ų2064.1 Ų64.112%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-98.9118.1179.1-175.60000109.3Q35 M36 L38 V48 K57 A59Q35-V50 CarbonylContact C-O 3.19Å; Q35-V50 VanDerWaalsContact CA-O 3.26Å; Q35-V50 WeakPolarHBondContact CA-O 3.26Å; M36-V50 HydrophobicContact CB-CB 4.32Å; M36-V50 PolarHBondContact N-O 3.44Å; M36-V50 PolarHBondContact O-N 2.67Å; L38-V50 HydrophobicContact CD1-CG2 4.36Å; V48-V50 HydrophobicContact CG1-CG2 4.36Å; V50-K57 HydrophobicContact CG1-CD 4.47Å; V50-K57 VanDerWaalsContact CG1-CE 3.44Å; V50-K57 HydrophobicContact CG1-CG 4.25Å; V50-A59 HydrophobicContact CG2-CB 4.13Å
51Y94.6Very high91.5Very high11 Ų1165.8 Ų65.84%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-95.2114.9175.2-67.5-92.7000109.3P31 N32 Q35 T49 K57 C58 R60P31-Y51 CarbonylContact O-C 3.28Å; N32-Y51 WeakPolarHBondContact ND2-CD1 3.5Å; N32-Y51 WeakPolarHBondContact ND2-CE1 3.42Å; Q35-Y51 HydrophobicContact CG-CD1 3.9Å; Q35-Y51 HydrophobicContact CG-CE1 3.63Å; Q35-Y51 PolarHBondContact NE2-OH 2.7Å; T49-Y51 HydrophobicContact CG2-CD2 4.28Å; T49-Y51 HydrophobicContact CG2-CE2 3.44Å; T49-Y51 VanDerWaalsContact CG2-CE2 3.44Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.26Å; Y51-K57 WeakPolarHBondContact O-CA 3.39Å; Y51-C58 WeakPolarHBondContact CA-O 3.18Å; Y51-C58 WeakPolarHBondContact CB-O 3.37Å; Y51-C58 PolarHBondContact N-O 3.06Å; Y51-C58 PolarHBondContact O-N 2.77Å; Y51-R60 HydrophobicContact CD2-CG 4.02Å; Y51-R60 VanDerWaalsContact CE2-CD 3.42Å; Y51-R60 HydrophobicContact CE2-CG 3.56Å; Y51-R60 VanDerWaalsContact CE2-CZ 3.49Å; Y51-R60 PolarHBondContact OH-NE 2.93Å; Y51-R60 PolarHBondContact OH-NH2 3.43Å
52T94.7Very high91.6Very high10 Ų1058 Ų586%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-104.3114.7177.9-52.60000108.5P31 W33 R34 W74 L83P31-T52 CarbonylContact O-C 3.56Å; W33-T52 WeakPolarHBondContact CB-O 3.46Å; W33-T52 PolarHBondContact N-O 3.25Å; W33-T52 VanDerWaalsContact N-O 3.15Å; R34-T52 PolarHBondContact N-O 2.67Å; R34-T52 VanDerWaalsContact N-O 3.09Å; R34-T52 WeakPolarHBondContact O-CA 3.39Å; R34-T52 WeakPolarHBondContact O-CB 3.41Å; R34-T52 PolarHBondContact O-N 2.69Å; T52-W74 HydrophobicContact CG2-CZ2 3.51Å; T52-L83 HydrophobicContact CG2-CD1 3.63Å
53G94.6Very high91.4Very high0 Ų059.2 Ų59.20%030%0.302CS..  trans-98.3-173.6171.300000112.8P31 I56 W74P31-G53 PolarHBondContact O-N 3.46Å; G53-I56 VanDerWaalsContact CA-O 3.29Å; G53-I56 WeakPolarHBondContact CA-O 3.44Å; G53-I56 PolarHBondContact N-O 3.27Å; G53-W74 PolarHBondContact O-NE1 3.19Å
54L95.5Very high91.7Very high1 Ų151.4 Ų51.41%0.00527%0.273CS..SBendtrans-77.6-43.6172-57.5176.5000111.4W33 L83 L86 Q87 L90W33-L54 HydrophobicContact CD2-CD2 4.31Å; W33-L54 HydrophobicContact CG-CD2 4.24Å; W33-L54 HydrophobicContact CG-CG 4.32Å; W33-L54 HydrophobicContact CZ2-CD1 4.34Å; L54-L83 HydrophobicContact CD2-CD2 4.23Å; L54-L86 HydrophobicContact CD2-CB 3.55Å; L54-L86 HydrophobicContact CD2-CD1 4.23Å; L54-Q87 HydrophobicContact CB-CG 4.08Å; L54-Q87 PolarHBondContact O-NE2 2.03Å; L54-L90 HydrophobicContact CD1-CD1 3.54Å
55W95.7Very high91.7Very high82 Ų8255.3 Ų55.331%0.31128%0.276SS..SBendtrans-103.6-35.8-173.1-49.4109.5000113.3V28 Y75 Q87 P91V28-W55 HydrophobicContact CG1-CZ2 4.17Å; V28-W55 VanDerWaalsContact CG1-NE1 3.28Å; V28-W55 PolarHBondContact O-NE1 2.97Å; W55-Y75 PolarHBondContact O-N 3Å; W55-Q87 HydrophobicContact CH2-CB 4.1Å; W55-Q87 HydrophobicContact CH2-CG 4.33Å; W55-Q87 HydrophobicContact CZ3-CB 4.35Å; W55-Q87 HydrophobicContact CZ3-CG 4.24Å; W55-P91 HydrophobicContact CH2-CG 4.48Å; W55-P91 HydrophobicContact CZ2-CG 4.12Å
56I94.7Very high91.9Very high35 Ų3555.6 Ų55.618%0.17928%0.282CS..  trans-128.1154.1-172.458.8159.7000110.3P31 G53 Y70 D71P31-I56 HydrophobicContact CB-CD1 3.85Å; P31-I56 HydrophobicContact CB-CG1 3.93Å; P31-I56 HydrophobicContact CG-CD1 4.13Å; G53-I56 VanDerWaalsContact CA-O 3.29Å; G53-I56 WeakPolarHBondContact CA-O 3.44Å; G53-I56 PolarHBondContact N-O 3.27Å; I56-Y70 HydrophobicContact CB-CE2 4.32Å; I56-Y70 HydrophobicContact CD1-CE2 3.77Å; I56-D71 WeakPolarHBondContact CA-O 3.49Å
57K94.5Very high92Very high67 Ų6751.5 Ų51.529%0.29127%0.271SS..EExtended strand (participates in β ladder)trans-125.7136.6172.6-176.8177.4-178.5179.10109.5V50 Y51 D71 W74V50-K57 HydrophobicContact CG1-CD 4.47Å; V50-K57 VanDerWaalsContact CG1-CE 3.44Å; V50-K57 HydrophobicContact CG1-CG 4.25Å; Y51-K57 WeakPolarHBondContact O-CA 3.39Å; K57-D71 HydrophobicContact CB-CB 4.38Å; K57-D71 PolarHBondContact N-O 3.25Å; K57-D71 VanDerWaalsContact N-O 3.16Å; K57-D71 PolarHBondContact O-N 2.81Å; K57-W74 HydrophobicContact CB-CB 3.84Å; K57-W74 HydrophobicContact CB-CD2 3.76Å; K57-W74 HydrophobicContact CB-CE3 4.21Å; K57-W74 HydrophobicContact CB-CG 3.57Å; K57-W74 HydrophobicContact CD-CD2 3.86Å; K57-W74 HydrophobicContact CD-CE3 3.6Å; K57-W74 HydrophobicContact CD-CH2 4.23Å; K57-W74 HydrophobicContact CD-CZ2 4.43Å; K57-W74 HydrophobicContact CD-CZ3 3.81Å; K57-W74 HydrophobicContact CG-CD2 4.41Å
58C94.1Very high92.1Very high6 Ų653.5 Ų53.54%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-130.9133.3-179.3162.50000110.2Y51 C67 I69Y51-C58 WeakPolarHBondContact CA-O 3.18Å; Y51-C58 WeakPolarHBondContact CB-O 3.37Å; Y51-C58 PolarHBondContact N-O 3.06Å; Y51-C58 PolarHBondContact O-N 2.77Å; C58-C67 HydrophobicContact CB-CB 4.05Å; C58-C67 WeakPolarHBondContact CB-SG 3.19Å; C58-C67 WeakPolarHBondContact SG-CB 3.28Å; C58-C67 CovalentContact SG-SG 2.03Å; C58-C67 PolarHBondContact SG-SG 3.05Å; C58-I69 CarbonylContact C-O 3.56Å; C58-I69 VanDerWaalsContact CA-O 3.25Å; C58-I69 WeakPolarHBondContact CA-O 3.48Å
59A94.4Very high92Very high10 Ų1057.1 Ų57.18%0.08330%0.301CS..EExtended strand (participates in β ladder)trans-111.6134.2166.900000109.7V48 V50 C67 V68 I69V48-A59 HydrophobicContact CG1-CB 4.17Å; V50-A59 HydrophobicContact CG2-CB 4.13Å; A59-C67 CarbonylContact O-C 3.58Å; A59-V68 PolarHBondContact O-N 2.92Å; A59-I69 HydrophobicContact CB-CB 4Å; A59-I69 HydrophobicContact CB-CD1 4.46Å; A59-I69 HydrophobicContact CB-CG1 4.44Å; A59-I69 PolarHBondContact N-O 3.02Å; A59-I69 PolarHBondContact O-N 2.73Å
60R93.6Very high92Very high86 Ų8663.1 Ų63.133%0.32532%0.324SS..EExtended strand (participates in β ladder)trans-130.7147.6178.369-173.7-169.4-173.41.1111V48 T49 Y51 D66V48-R60 WeakPolarHBondContact CA-O 3.48Å; T49-R60 PolarHBondContact N-O 3.08Å; T49-R60 PolarHBondContact O-N 2.94Å; Y51-R60 HydrophobicContact CD2-CG 4.02Å; Y51-R60 VanDerWaalsContact CE2-CD 3.42Å; Y51-R60 HydrophobicContact CE2-CG 3.56Å; Y51-R60 VanDerWaalsContact CE2-CZ 3.49Å; Y51-R60 PolarHBondContact OH-NE 2.93Å; Y51-R60 PolarHBondContact OH-NH2 3.43Å; R60-D66 WeakPolarHBondContact CB-O 3.44Å
61F92.1Very high92Very high78 Ų7864.9 Ų64.934%0.34233%0.333SS..EExtended strand (participates in β ladder)trans-70.1143.3166.3-66.9-63.9000109.9K46 N47 V48 G63 S64 V68K46-F61 HydrophobicContact CB-CB 4.33Å; K46-F61 HydrophobicContact CB-CD1 3.82Å; K46-F61 HydrophobicContact CB-CG 4.33Å; K46-F61 HydrophobicContact CD-CB 4.35Å; N47-F61 WeakPolarHBondContact O-CA 3.23Å; V48-F61 HydrophobicContact CG2-CD1 3.6Å; V48-F61 HydrophobicContact CG2-CE1 3.6Å; F61-G63 PolarHBondContact O-N 3.49Å; F61-S64 WeakPolarHBondContact O-CB 3.05Å; F61-S64 PolarHBondContact O-N 3.43Å; F61-V68 HydrophobicContact CD2-CG2 3.38Å; F61-V68 HydrophobicContact CE2-CB 4.31Å; F61-V68 HydrophobicContact CE2-CG1 3.96Å; F61-V68 HydrophobicContact CE2-CG2 3.45Å; F61-V68 VanDerWaalsContact CE2-CG2 3.45Å; F61-V68 HydrophobicContact CG-CG2 4.25Å; F61-V68 HydrophobicContact CZ-CG1 4.39Å; F61-V68 HydrophobicContact CZ-CG2 4.37Å
62D86.4Confident91.9Very high42 Ų4267.8 Ų67.823%0.22535%0.353CS..THydrogen-bonded Turntrans-58.5127.7174.7-77.5-3.9000110.4R37 N47 T49R37-D62 IonicContact CZ-OD2 3.18Å; R37-D62 IonicContact NE-OD1 3.93Å; R37-D62 IonicContact NE-OD2 2.86Å; R37-D62 PolarHBondContact NE-OD2 3.46Å; R37-D62 IonicContact NH2-OD2 2.69Å; R37-D62 PolarHBondContact NH2-OD2 3.06Å; N47-D62 HydrophobicContact CB-CB 4.26Å; N47-D62 VanDerWaalsContact CB-OD2 3.23Å; N47-D62 WeakPolarHBondContact CB-OD2 3.31Å; N47-D62 PolarHBondContact O-N 3.3Å; T49-D62 PolarHBondContact OG1-OD1 3.33Å
63G84.1Confident91.9Very high93 Ų9373.5 Ų73.596%0.95938%0.38SS*.THydrogen-bonded Turntrans88.5-9.7-175.100000115.2F61F61-G63 PolarHBondContact O-N 3.49Å
64S88.2Confident91.9Very high41 Ų4174.7 Ų74.729%0.28738%0.384SS..  trans-92.6146.1170.8-170.60000111.5F61 D66F61-S64 WeakPolarHBondContact O-CB 3.05Å; F61-S64 PolarHBondContact O-N 3.43Å; S64-D66 PolarHBondContact OG-N 2.91Å
65R84.6Confident91.7Very high235 Ų23580.1 Ų80.189%0.88741%0.405SS*.  trans-90.4-19.3169.3-68.4-175179.7169.70.5112.5
66D89.2Confident91.5Very high120 Ų12080.4 Ų80.464%0.64242%0.416SS*.SBendtrans-84138.1-174-57.8-36.6000111.4R60 S64 V68R60-D66 WeakPolarHBondContact CB-O 3.44Å; S64-D66 PolarHBondContact OG-N 2.91Å; D66-V68 PolarHBondContact O-N 3.43Å
67C90.3Very high91.4Very high61 Ų6181.4 Ų81.441%0.41243%0.43SS..  trans-75.9116.2171.8-66.60000109.2C58 A59 Y70C58-C67 HydrophobicContact CB-CB 4.05Å; C58-C67 WeakPolarHBondContact CB-SG 3.19Å; C58-C67 WeakPolarHBondContact SG-CB 3.28Å; C58-C67 CovalentContact SG-SG 2.03Å; C58-C67 PolarHBondContact SG-SG 3.05Å; A59-C67 CarbonylContact O-C 3.58Å; C67-Y70 HydrophobicContact CB-CD2 4.46Å
68V91.3Very high91.3Very high83 Ų8378.2 Ų78.250%0.50342%0.416SS..SBendtrans-75.5-41.4176.2-177.90000110.2A59 F61 D66A59-V68 PolarHBondContact O-N 2.92Å; F61-V68 HydrophobicContact CD2-CG2 3.38Å; F61-V68 HydrophobicContact CE2-CB 4.31Å; F61-V68 HydrophobicContact CE2-CG1 3.96Å; F61-V68 HydrophobicContact CE2-CG2 3.45Å; F61-V68 VanDerWaalsContact CE2-CG2 3.45Å; F61-V68 HydrophobicContact CG-CG2 4.25Å; F61-V68 HydrophobicContact CZ-CG1 4.39Å; F61-V68 HydrophobicContact CZ-CG2 4.37Å; D66-V68 PolarHBondContact O-N 3.43Å
69I91.4Very high91Very high114 Ų11483.9 Ų83.959%0.58545%0.446SS*.EExtended strand (participates in β ladder)trans-118.8118.9172.8-56.8175.4000106.2C58 A59C58-I69 CarbonylContact C-O 3.56Å; C58-I69 VanDerWaalsContact CA-O 3.25Å; C58-I69 WeakPolarHBondContact CA-O 3.48Å; A59-I69 HydrophobicContact CB-CB 4Å; A59-I69 HydrophobicContact CB-CD1 4.46Å; A59-I69 HydrophobicContact CB-CG1 4.44Å; A59-I69 PolarHBondContact N-O 3.02Å; A59-I69 PolarHBondContact O-N 2.73Å
70Y93.9Very high90.8Very high131 Ų13185.1 Ų85.151%0.51445%0.45SS..EExtended strand (participates in β ladder)trans-123114.2176-178.7-99.2000108.6I56 C67 P72I56-Y70 HydrophobicContact CB-CE2 4.32Å; I56-Y70 HydrophobicContact CD1-CE2 3.77Å; C67-Y70 HydrophobicContact CB-CD2 4.46Å; Y70-P72 HydrophobicContact CE1-CB 3.94Å; Y70-P72 HydrophobicContact CE1-CG 4.42Å; Y70-P72 WeakPolarHBondContact O-CD 3.45Å
71D94.6Very high90.8Very high56 Ų5686 Ų8630%0.29946%0.46SS..EExtended strand (participates in β ladder)trans-108.9102.7179.4-177.9-0.4000109.8I56 K57 Q73 W74I56-D71 WeakPolarHBondContact CA-O 3.49Å; K57-D71 HydrophobicContact CB-CB 4.38Å; K57-D71 PolarHBondContact N-O 3.25Å; K57-D71 VanDerWaalsContact N-O 3.16Å; K57-D71 PolarHBondContact O-N 2.81Å; D71-Q73 VanDerWaalsContact C-N 3.3Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.19Å; D71-Q73 PolarHBondContact OD1-N 2.97Å; D71-W74 HydrophobicContact CB-CB 4.37Å; D71-W74 PolarHBondContact OD1-N 2.76Å; D71-W74 VanDerWaalsContact OD1-N 3.09Å
72P92.4Very high90.9Very high73 Ų7382.4 Ų82.447%0.47445%0.445SS..THydrogen-bonded Turntrans-77.9-14.7177.531.6-34000113.4Y70Y70-P72 HydrophobicContact CE1-CB 3.94Å; Y70-P72 HydrophobicContact CE1-CG 4.42Å; Y70-P72 WeakPolarHBondContact O-CD 3.45Å
73Q94.3Very high91.3Very high130 Ų13080.4 Ų80.461%0.60743%0.434SS*.THydrogen-bonded Turntrans-99.75.2-179.8-67.1-174.5-33.200112.4D71 Y75 T76D71-Q73 VanDerWaalsContact C-N 3.3Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.19Å; D71-Q73 PolarHBondContact OD1-N 2.97Å; Q73-Y75 PolarHBondContact O-N 3.22Å; Q73-T76 PolarHBondContact O-N 2.89Å; Q73-T76 PolarHBondContact O-OG1 3.29Å
74W93.6Very high91.8Very high24 Ų2482.2 Ų82.29%0.09141%0.412CS..Hα-helixtrans-44.3-40.5177.8169.2-114.2000113.1T52 G53 K57 D71 T76 A77 V78T52-W74 HydrophobicContact CG2-CZ2 3.51Å; G53-W74 PolarHBondContact O-NE1 3.19Å; K57-W74 HydrophobicContact CB-CB 3.84Å; K57-W74 HydrophobicContact CB-CD2 3.76Å; K57-W74 HydrophobicContact CB-CE3 4.21Å; K57-W74 HydrophobicContact CB-CG 3.57Å; K57-W74 HydrophobicContact CD-CD2 3.86Å; K57-W74 HydrophobicContact CD-CE3 3.6Å; K57-W74 HydrophobicContact CD-CH2 4.23Å; K57-W74 HydrophobicContact CD-CZ2 4.43Å; K57-W74 HydrophobicContact CD-CZ3 3.81Å; K57-W74 HydrophobicContact CG-CD2 4.41Å; D71-W74 HydrophobicContact CB-CB 4.37Å; D71-W74 PolarHBondContact OD1-N 2.76Å; D71-W74 VanDerWaalsContact OD1-N 3.09Å; W74-T76 PolarHBondContact O-N 2.94Å; W74-A77 CarbonylContact O-C 3.47Å; W74-A77 PolarHBondContact O-N 2.86Å; W74-V78 HydrophobicContact CD2-CG2 4.21Å; W74-V78 HydrophobicContact CG-CG2 4.4Å; W74-V78 HydrophobicContact CZ2-CG2 4.06Å; W74-V78 VanDerWaalsContact O-CG2 3.28Å; W74-V78 WeakPolarHBondContact O-CG2 3.38Å; W74-V78 PolarHBondContact O-N 2.67Å
75Y92.1Very high92.2Very high115 Ų11582.6 Ų82.645%0.45141%0.412SS..Hα-helixtrans-52.3-30.4178.974.7-86.5000114.6W55 Q73 Q87W55-Y75 PolarHBondContact O-N 3Å; Q73-Y75 PolarHBondContact O-N 3.22Å; Y75-Q87 PolarHBondContact O-NE2 3.09Å
76T92.5Very high92.8Very high88 Ų8871.4 Ų71.454%0.5437%0.37SS..Hα-helixtrans-79.3-27.9178.263.70000113.1Q73 W74Q73-T76 PolarHBondContact O-N 2.89Å; Q73-T76 PolarHBondContact O-OG1 3.29Å; W74-T76 PolarHBondContact O-N 2.94Å
77A91.8Very high93.2Very high57 Ų5767.2 Ų67.247%0.47135%0.347SS..Hα-helixtrans-99.2-3.2-174.500000113.2W74 D79W74-A77 CarbonylContact O-C 3.47Å; W74-A77 PolarHBondContact O-N 2.86Å; A77-D79 PolarHBondContact O-N 3.26Å; A77-D79 VanDerWaalsContact O-N 3.1Å
78V92.1Very high93.4Very high0 Ų071.3 Ų71.30%036%0.358CS..  trans-56.8118174.8-176.60000108.4W74 L83 R84W74-V78 HydrophobicContact CD2-CG2 4.21Å; W74-V78 HydrophobicContact CG-CG2 4.4Å; W74-V78 HydrophobicContact CZ2-CG2 4.06Å; W74-V78 VanDerWaalsContact O-CG2 3.28Å; W74-V78 WeakPolarHBondContact O-CG2 3.38Å; W74-V78 PolarHBondContact O-N 2.67Å; V78-L83 HydrophobicContact CG1-CB 3.71Å; V78-L83 HydrophobicContact CG1-CD1 4.42Å; V78-R84 HydrophobicContact CB-CG 4.31Å; V78-R84 HydrophobicContact CG1-CG 3.85Å; V78-R84 PolarHBondContact O-NE 3.05Å; V78-R84 PolarHBondContact O-NH2 3.47Å
79D88.8Confident93.7Very high124 Ų12467.6 Ų67.666%0.66334%0.336SS*.  trans-103.2-19.1176.262.6-19000112A77 L81A77-D79 PolarHBondContact O-N 3.26Å; A77-D79 VanDerWaalsContact O-N 3.1Å; D79-L81 PolarHBondContact O-N 3.03Å
80Q90.3Very high94Very high36 Ų3662.2 Ų62.217%0.16831%0.308CS..  trans-76.1121.4-176.8-45.3-170.4-69.700111.4D82 L83 R84Q80-D82 VanDerWaalsContact C-N 3.31Å; Q80-D82 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D82 PolarHBondContact O-N 3.15Å; Q80-L83 HydrophobicContact CB-CD1 4.41Å; Q80-L83 PolarHBondContact O-N 3.09Å; Q80-R84 PolarHBondContact O-N 2.79Å; Q80-R84 VanDerWaalsContact O-N 3.07Å
81L93.2Very high94.2Very high105 Ų10557.5 Ų57.555%0.5529%0.294SS..Hα-helixtrans-59.5-39.6-175.6-179.464.2000112.7D79 L83 R84 V85 W153D79-L81 PolarHBondContact O-N 3.03Å; L81-L83 PolarHBondContact O-N 3.32Å; L81-R84 PolarHBondContact O-N 2.9Å; L81-V85 HydrophobicContact CD1-CG2 4.11Å; L81-V85 HydrophobicContact CG-CG2 4.3Å; L81-V85 VanDerWaalsContact O-CG2 3.26Å; L81-V85 WeakPolarHBondContact O-CG2 3.29Å; L81-V85 PolarHBondContact O-N 2.89Å; L81-W153 HydrophobicContact CD2-CH2 3.96Å; L81-W153 HydrophobicContact CD2-CZ2 4.43Å; L81-W153 HydrophobicContact CG-CH2 4.46Å
82D94.1Very high94.4Very high3 Ų357.7 Ų57.72%0.01630%0.295CS..Hα-helixtrans-60.6-44.6-179.563.3-40.8000112.2R34 Q80 L86 V154 Y157R34-D82 IonicContact CZ-OD2 3.3Å; R34-D82 VanDerWaalsContact CZ-OD2 3.3Å; R34-D82 IonicContact NH1-OD1 3.5Å; R34-D82 PolarHBondContact NH1-OD1 3.33Å; R34-D82 IonicContact NH1-OD2 3.06Å; R34-D82 PolarHBondContact NH1-OD2 3.01Å; R34-D82 IonicContact NH2-OD2 2.66Å; R34-D82 PolarHBondContact NH2-OD2 2.7Å; Q80-D82 VanDerWaalsContact C-N 3.31Å; Q80-D82 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D82 PolarHBondContact O-N 3.15Å; D82-L86 PolarHBondContact O-N 2.83Å; D82-V154 HydrophobicContact CB-CG2 4.3Å; D82-Y157 HydrophobicContact CB-CD1 4.12Å; D82-Y157 HydrophobicContact CB-CG 4.47Å; D82-Y157 VanDerWaalsContact CG-CD1 3.45Å; D82-Y157 WeakPolarHBondContact OD2-CD1 3.14Å
83L94.6Very high94.6Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-70.7-38.8176.6-66.2177.5000112W33 T52 L54 V78 Q80 L81 V85 L86 Q87W33-L83 HydrophobicContact CB-CD2 4.22Å; T52-L83 HydrophobicContact CG2-CD1 3.63Å; L54-L83 HydrophobicContact CD2-CD2 4.23Å; V78-L83 HydrophobicContact CG1-CB 3.71Å; V78-L83 HydrophobicContact CG1-CD1 4.42Å; Q80-L83 HydrophobicContact CB-CD1 4.41Å; Q80-L83 PolarHBondContact O-N 3.09Å; L81-L83 PolarHBondContact O-N 3.32Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.96Å; L83-L86 HydrophobicContact CD2-CD1 4.49Å; L83-L86 WeakPolarHBondContact O-CB 3.48Å; L83-L86 PolarHBondContact O-N 3.14Å; L83-Q87 WeakPolarHBondContact O-CG 3.24Å; L83-Q87 PolarHBondContact O-N 3.03Å
84R95.5Very high94.8Very high130 Ų13050 Ų5049%0.49125%0.253SS..Hα-helixtrans-61.9-41.8174.9-74.8-169.1178.3-156.3-1.5112.3V78 Q80 L81 L86 Q87 F88V78-R84 HydrophobicContact CB-CG 4.31Å; V78-R84 HydrophobicContact CG1-CG 3.85Å; V78-R84 PolarHBondContact O-NE 3.05Å; V78-R84 PolarHBondContact O-NH2 3.47Å; Q80-R84 PolarHBondContact O-N 2.79Å; Q80-R84 VanDerWaalsContact O-N 3.07Å; L81-R84 PolarHBondContact O-N 2.9Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.44Å; R84-Q87 WeakPolarHBondContact O-CB 3.3Å; R84-Q87 PolarHBondContact O-N 3.39Å; R84-F88 PolarHBondContact O-N 3.26Å
85V96.4Very high95Very high49 Ų4954.2 Ų54.230%0.29728%0.277SS..Hα-helixtrans-63.4-40.2176.5173.60000110.1L81 L83 F88 A89 P150L81-V85 HydrophobicContact CD1-CG2 4.11Å; L81-V85 HydrophobicContact CG-CG2 4.3Å; L81-V85 VanDerWaalsContact O-CG2 3.26Å; L81-V85 WeakPolarHBondContact O-CG2 3.29Å; L81-V85 PolarHBondContact O-N 2.89Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.96Å; V85-F88 PolarHBondContact O-N 3.22Å; V85-A89 WeakPolarHBondContact O-CB 3.41Å; V85-A89 PolarHBondContact O-N 3.43Å; V85-P150 HydrophobicContact CG1-CB 3.77Å; V85-P150 HydrophobicContact CG1-CG 4.36Å
86L96.7Very high95.3Very high0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-64.9-38.5175.8-77.8166.5000113.8W33 L54 D82 L83 R84 F88 A89 L90 P150 V154W33-L86 HydrophobicContact CD2-CD1 4.19Å; W33-L86 HydrophobicContact CE3-CD1 3.52Å; W33-L86 HydrophobicContact CH2-CD1 4.04Å; W33-L86 HydrophobicContact CH2-CD2 3.77Å; W33-L86 HydrophobicContact CZ3-CD1 3.43Å; W33-L86 VanDerWaalsContact CZ3-CD1 3.43Å; W33-L86 HydrophobicContact CZ3-CD2 3.88Å; W33-L86 HydrophobicContact CZ3-CG 4.32Å; L54-L86 HydrophobicContact CD2-CB 3.55Å; L54-L86 HydrophobicContact CD2-CD1 4.23Å; D82-L86 PolarHBondContact O-N 2.83Å; L83-L86 HydrophobicContact CD2-CD1 4.49Å; L83-L86 WeakPolarHBondContact O-CB 3.48Å; L83-L86 PolarHBondContact O-N 3.14Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.44Å; L86-F88 PolarHBondContact O-N 2.77Å; L86-A89 PolarHBondContact O-N 3.48Å; L86-L90 HydrophobicContact CB-CD1 4.3Å; L86-L90 HydrophobicContact CD2-CD1 3.85Å; L86-L90 HydrophobicContact CD2-CD2 4.31Å; L86-L90 HydrophobicContact CD2-CG 3.9Å; L86-L90 PolarHBondContact O-N 3.17Å; L86-P150 HydrophobicContact CD2-CB 3.83Å; L86-P150 HydrophobicContact CD2-CG 3.96Å; L86-P150 HydrophobicContact CG-CB 4.04Å; L86-V154 HydrophobicContact CD1-CG2 3.34Å
87Q96.4Very high95.6Very high32 Ų3245.7 Ų45.715%0.1524%0.237CC..Hα-helixtrans-57-29.5175.1-75.3174-32.200112.3L54 W55 Y75 L83 R84 P91L54-Q87 HydrophobicContact CB-CG 4.08Å; L54-Q87 PolarHBondContact O-NE2 2.03Å; W55-Q87 HydrophobicContact CH2-CB 4.1Å; W55-Q87 HydrophobicContact CH2-CG 4.33Å; W55-Q87 HydrophobicContact CZ3-CB 4.35Å; W55-Q87 HydrophobicContact CZ3-CG 4.24Å; Y75-Q87 PolarHBondContact O-NE2 3.09Å; L83-Q87 WeakPolarHBondContact O-CG 3.24Å; L83-Q87 PolarHBondContact O-N 3.03Å; R84-Q87 WeakPolarHBondContact O-CB 3.3Å; R84-Q87 PolarHBondContact O-N 3.39Å; Q87-P91 VanDerWaalsContact O-CD 3.24Å; Q87-P91 WeakPolarHBondContact O-CD 3.31Å; Q87-P91 VanDerWaalsContact O-CG 3.27Å; Q87-P91 WeakPolarHBondContact O-CG 3.25Å
88F95.9Very high95.9Very high147 Ų14745.4 Ų45.465%0.64523%0.229SC*.Hα-helixtrans-92.1-47.8175.4178.3-103.4000112.7R84 V85 L86 L90 P91 L92R84-F88 PolarHBondContact O-N 3.26Å; V85-F88 PolarHBondContact O-N 3.22Å; L86-F88 PolarHBondContact O-N 2.77Å; F88-L90 PolarHBondContact O-N 3.02Å; F88-P91 WeakPolarHBondContact O-CD 3.34Å; F88-L92 HydrophobicContact CE1-CD2 3.68Å; F88-L92 HydrophobicContact CZ-CD2 3.9Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.42Å; F88-L92 VanDerWaalsContact O-N 3.13Å
89A97.7Very high96.1Very high6 Ų648.3 Ų48.35%0.0525%0.249CC..Hα-helixtrans-67.3-39.8-170.800000113V85 L86 L92 S93 I146 P150V85-A89 WeakPolarHBondContact O-CB 3.41Å; V85-A89 PolarHBondContact O-N 3.43Å; L86-A89 PolarHBondContact O-N 3.48Å; A89-L92 PolarHBondContact O-N 2.87Å; A89-S93 VanDerWaalsContact O-CB 3.24Å; A89-S93 WeakPolarHBondContact O-CB 3.25Å; A89-S93 PolarHBondContact O-N 3.01Å; A89-I146 HydrophobicContact CB-CG2 3.97Å; A89-I146 VanDerWaalsContact O-CG2 3.27Å; A89-I146 WeakPolarHBondContact O-CG2 3.36Å; A89-P150 HydrophobicContact CB-CG 3.76Å
90L97.6Very high96.5Very high0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-70.6-46.4-177.9-65169.4000112.7L24 V28 W33 L54 L86 F88 L92 S93 M94 C147 A178L24-L90 HydrophobicContact CD2-CD2 3.95Å; V28-L90 HydrophobicContact CG2-CB 3.51Å; V28-L90 HydrophobicContact CG2-CD1 4.15Å; V28-L90 HydrophobicContact CG2-CG 4.46Å; W33-L90 HydrophobicContact CH2-CD1 3.76Å; W33-L90 HydrophobicContact CZ2-CD1 3.35Å; L54-L90 HydrophobicContact CD1-CD1 3.54Å; L86-L90 HydrophobicContact CB-CD1 4.3Å; L86-L90 HydrophobicContact CD2-CD1 3.85Å; L86-L90 HydrophobicContact CD2-CD2 4.31Å; L86-L90 HydrophobicContact CD2-CG 3.9Å; L86-L90 PolarHBondContact O-N 3.17Å; F88-L90 PolarHBondContact O-N 3.02Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.15Å; L90-S93 PolarHBondContact O-N 3.3Å; L90-M94 WeakPolarHBondContact O-CB 3.2Å; L90-M94 PolarHBondContact O-N 3.06Å; L90-C147 HydrophobicContact CD2-CB 3.73Å; L90-A178 HydrophobicContact CD2-CB 4.47Å
91P97.7Very high96.8Very high33 Ų3341.7 Ų41.721%0.21422%0.215CC..Hα-helixtrans-59.7-41171.5-27.437.8000113W55 Q87 F88 M94 L95W55-P91 HydrophobicContact CH2-CG 4.48Å; W55-P91 HydrophobicContact CZ2-CG 4.12Å; Q87-P91 VanDerWaalsContact O-CD 3.24Å; Q87-P91 WeakPolarHBondContact O-CD 3.31Å; Q87-P91 VanDerWaalsContact O-CG 3.27Å; Q87-P91 WeakPolarHBondContact O-CG 3.25Å; F88-P91 WeakPolarHBondContact O-CD 3.34Å; P91-M94 PolarHBondContact O-N 2.76Å; P91-L95 WeakPolarHBondContact O-CG 3.23Å; P91-L95 PolarHBondContact O-N 3.2Å
92L98.1Very high96.8Very high60 Ų6042.9 Ų42.931%0.31422%0.216SC..Hα-helixtrans-62.8-47176.8-179.562.9000111.7F88 A89 L90 M94 L95 T96 I146F88-L92 HydrophobicContact CE1-CD2 3.68Å; F88-L92 HydrophobicContact CZ-CD2 3.9Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.42Å; F88-L92 VanDerWaalsContact O-N 3.13Å; A89-L92 PolarHBondContact O-N 2.87Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.15Å; L92-M94 VanDerWaalsContact C-N 3.28Å; L92-M94 PolarHBondContact O-N 3.4Å; L92-L95 PolarHBondContact O-N 2.96Å; L92-T96 HydrophobicContact CD1-CG2 4.43Å; L92-T96 WeakPolarHBondContact O-CG2 3.43Å; L92-T96 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-OG1 3.13Å; L92-T96 VanDerWaalsContact O-OG1 3.09Å; L92-I146 HydrophobicContact CB-CG2 4.47Å; L92-I146 HydrophobicContact CD2-CD1 4.12Å; L92-I146 HydrophobicContact CD2-CG2 4.29Å; L92-I146 HydrophobicContact CG-CD1 4.2Å; L92-I146 HydrophobicContact CG-CG2 4.46Å
93S98.3Very high96.7Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-58-42173.8176.60000111.5A89 L90 T96 A97 A143 C147A89-S93 VanDerWaalsContact O-CB 3.24Å; A89-S93 WeakPolarHBondContact O-CB 3.25Å; A89-S93 PolarHBondContact O-N 3.01Å; L90-S93 PolarHBondContact O-N 3.3Å; S93-T96 WeakPolarHBondContact CA-OG1 3.08Å; S93-T96 PolarHBondContact O-OG1 3.19Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.33Å; S93-A97 PolarHBondContact O-N 3.49Å; S93-A143 PolarHBondContact OG-O 2.95Å; S93-C147 WeakPolarHBondContact OG-CB 3.34Å; S93-C147 PolarHBondContact OG-SG 2.85Å
94M97.9Very high96.4Very high42 Ų4244.9 Ų44.921%0.20723%0.226CC..Hα-helixtrans-64.8-45.4178.4-174.4175.864.800111.4V21 L25 L90 P91 L92 A97 V98V21-M94 HydrophobicContact CG1-CG 4.23Å; L25-M94 HydrophobicContact CB-SD 4.07Å; L25-M94 HydrophobicContact CD1-CE 4.46Å; L25-M94 HydrophobicContact CD1-SD 3.96Å; L90-M94 WeakPolarHBondContact O-CB 3.2Å; L90-M94 PolarHBondContact O-N 3.06Å; P91-M94 PolarHBondContact O-N 2.76Å; L92-M94 VanDerWaalsContact C-N 3.28Å; L92-M94 PolarHBondContact O-N 3.4Å; M94-A97 PolarHBondContact O-N 2.91Å; M94-V98 WeakPolarHBondContact O-CB 3.4Å; M94-V98 VanDerWaalsContact O-CG2 3.27Å; M94-V98 WeakPolarHBondContact O-CG2 3.48Å; M94-V98 PolarHBondContact O-N 2.98Å
95L98.1Very high96.1Very high112 Ų11242.1 Ų42.159%0.58622%0.221SC*.Hα-helixtrans-60-48.1176.5-72.2171.4000111.5P91 L92 A97 V98 S99P91-L95 WeakPolarHBondContact O-CG 3.23Å; P91-L95 PolarHBondContact O-N 3.2Å; L92-L95 PolarHBondContact O-N 2.96Å; L95-A97 PolarHBondContact O-N 2.82Å; L95-V98 PolarHBondContact O-N 3.47Å; L95-S99 PolarHBondContact O-N 3.4Å; L95-S99 PolarHBondContact O-OG 3.48Å
96T98.2Very high95.4Very high24 Ų2443.8 Ų43.815%0.14723%0.227CC..Hα-helixtrans-61.6-41.1177.755.20000112.5L92 S93 S99 A100 A143L92-T96 HydrophobicContact CD1-CG2 4.43Å; L92-T96 WeakPolarHBondContact O-CG2 3.43Å; L92-T96 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-OG1 3.13Å; L92-T96 VanDerWaalsContact O-OG1 3.09Å; S93-T96 WeakPolarHBondContact CA-OG1 3.08Å; S93-T96 PolarHBondContact O-OG1 3.19Å; T96-S99 PolarHBondContact O-N 3.45Å; T96-A100 PolarHBondContact O-N 3.13Å; T96-A143 VanDerWaalsContact OG1-CB 3.28Å; T96-A143 WeakPolarHBondContact OG1-CB 3.04Å
97A98.3Very high94.5Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-68.1-37.1176.200000112.8V21 S93 M94 L95 A100 L101 F140 A143 L185V21-A97 HydrophobicContact CG2-CB 3.59Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.33Å; S93-A97 PolarHBondContact O-N 3.49Å; M94-A97 PolarHBondContact O-N 2.91Å; L95-A97 PolarHBondContact O-N 2.82Å; A97-A100 WeakPolarHBondContact O-CB 3.27Å; A97-A100 PolarHBondContact O-N 3.32Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.16Å; A97-F140 HydrophobicContact CB-CD1 4.3Å; A97-F140 HydrophobicContact CB-CE1 4.23Å; A97-A143 HydrophobicContact CB-CB 4.01Å; A97-L185 HydrophobicContact CB-CD2 3.82Å
98V98.3Very high93.7Very high51 Ų5143.2 Ų43.231%0.30923%0.225SC..Hα-helixtrans-64.5-43.4173.7167.50000110.8V21 M94 L95 A100 L101 F102V21-V98 HydrophobicContact CG1-CG2 3.86Å; M94-V98 WeakPolarHBondContact O-CB 3.4Å; M94-V98 VanDerWaalsContact O-CG2 3.27Å; M94-V98 WeakPolarHBondContact O-CG2 3.48Å; M94-V98 PolarHBondContact O-N 2.98Å; L95-V98 PolarHBondContact O-N 3.47Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.3Å; V98-L101 WeakPolarHBondContact O-CB 3.5Å; V98-L101 PolarHBondContact O-N 2.94Å; V98-L101 VanDerWaalsContact O-N 3.17Å; V98-F102 HydrophobicContact CG1-CD2 3.86Å; V98-F102 HydrophobicContact CG1-CE2 3.56Å; V98-F102 WeakPolarHBondContact O-CD2 3.24Å; V98-F102 PolarHBondContact O-N 3.28Å
99S96.6Very high92.3Very high61 Ų6138.5 Ų38.543%0.42721%0.209SC..Hα-helixtrans-59.1-40.1172.5-58.40000112L95 T96 F102 L103L95-S99 PolarHBondContact O-N 3.4Å; L95-S99 PolarHBondContact O-OG 3.48Å; T96-S99 PolarHBondContact O-N 3.45Å; S99-F102 PolarHBondContact O-N 3.39Å; S99-L103 PolarHBondContact O-N 3.4Å; S99-L103 VanDerWaalsContact O-N 3.09Å
100A97.1Very high90.4Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-63.6-40.9174.500000112.5T96 A97 V98 F102 L103 C104 A136 L139 F140T96-A100 PolarHBondContact O-N 3.13Å; A97-A100 WeakPolarHBondContact O-CB 3.27Å; A97-A100 PolarHBondContact O-N 3.32Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.3Å; A100-F102 PolarHBondContact O-N 3.07Å; A100-L103 PolarHBondContact O-N 3.35Å; A100-C104 PolarHBondContact O-N 3.46Å; A100-A136 HydrophobicContact CB-CB 4.45Å; A100-L139 HydrophobicContact CB-CB 3.69Å; A100-L139 HydrophobicContact CB-CD1 4.41Å; A100-F140 HydrophobicContact CB-CD1 3.83Å; A100-F140 HydrophobicContact CB-CD2 3.77Å; A100-F140 HydrophobicContact CB-CE1 3.71Å; A100-F140 HydrophobicContact CB-CE2 3.63Å; A100-F140 HydrophobicContact CB-CG 3.86Å; A100-F140 HydrophobicContact CB-CZ 3.61Å
101L96.3Very high88.3Confident21 Ų2143.5 Ų43.511%0.1124%0.237CC..Hα-helixtrans-61.7-41.4174.9-77.3171.4000112.1F14 V21 A97 V98 C104 L105 F140F14-L101 HydrophobicContact CD2-CD2 3.78Å; F14-L101 HydrophobicContact CE2-CB 4.45Å; F14-L101 HydrophobicContact CE2-CD2 3.93Å; V21-L101 HydrophobicContact CB-CD1 4.22Å; V21-L101 HydrophobicContact CG2-CD1 3.72Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.16Å; V98-L101 WeakPolarHBondContact O-CB 3.5Å; V98-L101 PolarHBondContact O-N 2.94Å; V98-L101 VanDerWaalsContact O-N 3.17Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.27Å; L101-L105 PolarHBondContact O-N 2.87Å; L101-F140 HydrophobicContact CD2-CE1 4.44Å; L101-F140 HydrophobicContact CD2-CZ 3.82Å; L101-F140 HydrophobicContact CG-CE1 4.17Å; L101-F140 HydrophobicContact CG-CZ 3.84Å
102F93.6Very high86.1Confident129 Ų12945.2 Ų45.257%0.56625%0.254SS*.Hα-helixtrans-61.3-43.9173.9-80.8-67.6000111.9V98 S99 A100 C104 L105 I106V98-F102 HydrophobicContact CG1-CD2 3.86Å; V98-F102 HydrophobicContact CG1-CE2 3.56Å; V98-F102 WeakPolarHBondContact O-CD2 3.24Å; V98-F102 PolarHBondContact O-N 3.28Å; S99-F102 PolarHBondContact O-N 3.39Å; A100-F102 PolarHBondContact O-N 3.07Å; F102-C104 PolarHBondContact O-N 2.91Å; F102-L105 PolarHBondContact O-N 2.88Å; F102-I106 VanDerWaalsContact O-CG1 3.27Å; F102-I106 WeakPolarHBondContact O-CG1 3.27Å; F102-I106 PolarHBondContact O-N 3.3Å
103L91Very high83.5Confident46 Ų4650.3 Ų50.324%0.24127%0.274CS..Hα-helixtrans-63.9-39.4175.6-70.1179000112.4S99 A100 I106 G107 V135 A136 L139S99-L103 PolarHBondContact O-N 3.4Å; S99-L103 VanDerWaalsContact O-N 3.09Å; A100-L103 PolarHBondContact O-N 3.35Å; L103-I106 PolarHBondContact O-N 2.93Å; L103-G107 PolarHBondContact O-N 3.34Å; L103-V135 HydrophobicContact CD1-CB 4.2Å; L103-V135 HydrophobicContact CD1-CG1 3.65Å; L103-A136 HydrophobicContact CB-CB 3.92Å; L103-L139 HydrophobicContact CD1-CD1 3.75Å
104C89.5Confident81.2Confident0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-61-44.8172.4-85.10000111.8F14 A100 L101 F102 G107 M108 H133 A136 L192F14-C104 HydrophobicContact CD2-CB 4.15Å; A100-C104 PolarHBondContact O-N 3.46Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 3.26Å; F102-C104 PolarHBondContact O-N 2.91Å; C104-G107 PolarHBondContact O-N 2.67Å; C104-M108 WeakPolarHBondContact O-CG 3.46Å; C104-M108 PolarHBondContact O-N 3.48Å; C104-H133 PolarHBondContact O-CE1 3.42Å; C104-A136 WeakPolarHBondContact SG-CB 3.31Å; C104-L192 VanDerWaalsContact SG-CD1 3.56Å
105L87.9Confident78.7Confident72 Ų7258.4 Ų58.438%0.37733%0.331SS..Hα-helixtrans-61.9-46177.6-176.464.1000111.2F14 L101 F102 G107 M108 C109F14-L105 HydrophobicContact CE2-CB 4.2Å; L101-L105 WeakPolarHBondContact O-CB 3.27Å; L101-L105 PolarHBondContact O-N 2.87Å; F102-L105 PolarHBondContact O-N 2.88Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.36Å; L105-M108 HydrophobicContact CD1-CE 4.24Å; L105-M108 PolarHBondContact O-N 3.5Å; L105-C109 WeakPolarHBondContact O-CB 3.24Å; L105-C109 PolarHBondContact O-N 3.21Å; L105-C109 PolarHBondContact O-SG 3.41Å
106I83.2Confident76.5Confident84 Ų8457.1 Ų57.143%0.43133%0.332SS..Hα-helixtrans-59.6-44.6175.5-67.1163.9000110.7F102 L103 M108 C109 N110F102-I106 VanDerWaalsContact O-CG1 3.27Å; F102-I106 WeakPolarHBondContact O-CG1 3.27Å; F102-I106 PolarHBondContact O-N 3.3Å; L103-I106 PolarHBondContact O-N 2.93Å; I106-M108 VanDerWaalsContact C-N 3.33Å; I106-M108 PolarHBondContact O-N 2.88Å; I106-C109 PolarHBondContact O-N 2.93Å; I106-N110 PolarHBondContact O-N 3.14Å; I106-N110 PolarHBondContact O-ND2 3.36Å
107G78.1Confident74Confident0 Ų062.3 Ų62.30%036%0.363CS..Hα-helixtrans-59.9-40.2177.100000113.3L103 C104 L105 S129 H133L103-G107 PolarHBondContact O-N 3.34Å; C104-G107 PolarHBondContact O-N 2.67Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.36Å; G107-S129 PolarHBondContact O-OG 3.25Å; G107-H133 VanDerWaalsContact C-NE2 3.28Å; G107-H133 WeakPolarHBondContact CA-NE2 3.44Å
108M77.6Confident71.5Confident20 Ų2065.4 Ų65.410%0.09938%0.383CS..Hα-helixtrans-73.5-42.6176.2-70-172.3-59.900112.7V11 F14 C104 L105 I106 N110 T111 A112V11-M108 HydrophobicContact CG2-SD 4.18Å; F14-M108 HydrophobicContact CB-CE 3.62Å; F14-M108 HydrophobicContact CB-SD 4.04Å; F14-M108 HydrophobicContact CD1-CE 3.94Å; F14-M108 HydrophobicContact CD2-CE 3.55Å; F14-M108 HydrophobicContact CE2-CE 4.17Å; F14-M108 HydrophobicContact CG-CE 3.41Å; F14-M108 VanDerWaalsContact CG-CE 3.41Å; F14-M108 HydrophobicContact CG-SD 4.46Å; C104-M108 WeakPolarHBondContact O-CG 3.46Å; C104-M108 PolarHBondContact O-N 3.48Å; L105-M108 HydrophobicContact CD1-CE 4.24Å; L105-M108 PolarHBondContact O-N 3.5Å; I106-M108 VanDerWaalsContact C-N 3.33Å; I106-M108 PolarHBondContact O-N 2.88Å; M108-N110 PolarHBondContact O-N 2.96Å; M108-T111 CarbonylContact O-C 3.59Å; M108-T111 WeakPolarHBondContact O-CA 3.47Å; M108-T111 PolarHBondContact O-N 2.87Å; M108-T111 PolarHBondContact O-OG1 3.25Å; M108-A112 PolarHBondContact O-N 2.89Å
109C67.3Low68.9Low47 Ų4769.1 Ų69.132%0.31840%0.401SS..Hα-helixtrans-60.4-33.5179.8-73.20000112.3L105 I106 T111 F113L105-C109 WeakPolarHBondContact O-CB 3.24Å; L105-C109 PolarHBondContact O-N 3.21Å; L105-C109 PolarHBondContact O-SG 3.41Å; I106-C109 PolarHBondContact O-N 2.93Å; C109-T111 PolarHBondContact O-N 3.44Å; C109-F113 HydrophobicContact CB-CD2 4.31Å
110N57.7Low66.6Low60 Ų6073.1 Ų73.132%0.32142%0.416SS..Hα-helixtrans-65-13.4172.1-71-18.3000113.9I106 M108 C125I106-N110 PolarHBondContact O-N 3.14Å; I106-N110 PolarHBondContact O-ND2 3.36Å; M108-N110 PolarHBondContact O-N 2.96Å; N110-C125 PolarHBondContact OD1-SG 3.36Å; N110-C125 VanDerWaalsContact OD1-SG 3.4Å
111T53.9Low64Low52 Ų5282.3 Ų82.332%0.31946%0.456SS..Hα-helixtrans-119.1-27-174.463.30000115.2M108 C109M108-T111 CarbonylContact O-C 3.59Å; M108-T111 WeakPolarHBondContact O-CA 3.47Å; M108-T111 PolarHBondContact O-N 2.87Å; M108-T111 PolarHBondContact O-OG1 3.25Å; C109-T111 PolarHBondContact O-N 3.44Å
112A50.6Low61.4Low69 Ų6989.2 Ų89.257%0.5749%0.492SS*.Hα-helixtrans-105.2-24.1-167.500000115.8M108M108-A112 PolarHBondContact O-N 2.89Å
113F45.2Very low59Low166 Ų16686 Ų8673%0.72849%0.49SS*.SBendtrans-102.19.2-169.9-73.1-70.8000115.6C109C109-F113 HydrophobicContact CB-CD2 4.31Å
114V48.4Very low56.7Low80 Ų8092 Ų9249%0.48551%0.514SS..  trans-121.397.2-174.1-177.10000110S116 P118V114-S116 WeakPolarHBondContact CG1-O 3.4Å; V114-P118 HydrophobicContact CG1-CB 4.15Å; V114-P118 HydrophobicContact CG1-CG 4.07Å
115S46.3Very low54.6Low132 Ų13295.8 Ų95.892%0.92354%0.539SS*.SBendtrans-81.3-13.8175.554.90000113.7
116S51Low52.7Low85 Ų85100.7 Ų100.759%0.59457%0.565SS**SBendtrans-120131.6176.859.40000110.1V114 P118V114-S116 WeakPolarHBondContact CG1-O 3.4Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å
117V47Very low51.4Low134 Ų134100.7 Ų100.781%0.81257%0.569SS**  trans-45.5113.7-179.3-175.90000109.1N119V117-N119 PolarHBondContact O-N 2.91Å
118P45.6Very low51.2Low64 Ų64106.2 Ų106.242%0.41660%0.599SS.*  trans-63.9128.1-174.621.7-26.9000107.6V114 S116 I120 A123V114-P118 HydrophobicContact CG1-CB 4.15Å; V114-P118 HydrophobicContact CG1-CG 4.07Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-I120 PolarHBondContact O-N 2.86Å; P118-A123 HydrophobicContact CB-CB 3.95Å
119N42.6Very low51.2Low130 Ų130106.1 Ų106.170%0.69560%0.6SS**  trans-54.1115.5177.6-153-26.8000107.4V117 K121 L122V117-N119 PolarHBondContact O-N 2.91Å; N119-K121 PolarHBondContact O-N 3.47Å; N119-L122 PolarHBondContact O-N 2.84Å
120I49.7Very low51.8Low144 Ų144104.6 Ų104.674%0.73859%0.591SS**THydrogen-bonded Turntrans-61.2-6.3-160.3-49.4160.1000112.3P118P118-I120 PolarHBondContact O-N 2.86Å
121K42Very low53Low194 Ų194102.9 Ų102.984%0.84359%0.587SS**THydrogen-bonded Turntrans-95.7-19.4178.7-65-171.9177.4-176.80115.2N119N119-K121 PolarHBondContact O-N 3.47Å
122L42.1Very low54.5Low165 Ų165100.7 Ų100.786%0.86457%0.574SS**THydrogen-bonded Turntrans-111.6-27.3-170.8-157.169.3000114.8N119N119-L122 PolarHBondContact O-N 2.84Å
123A42.6Very low56.3Low62 Ų6297.4 Ų97.451%0.51255%0.547SS..  trans-107.444.7-179.600000112.6P118 C125P118-A123 HydrophobicContact CB-CB 3.95Å; A123-C125 PolarHBondContact O-N 3.09Å
124K43.3Very low58.5Low172 Ų17291.9 Ų91.975%0.74852%0.524SS*.  trans-72.773.2161.2-78.9-175177.3179.40108.3L126K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L126 PolarHBondContact O-N 3.3Å
125C44.3Very low60.7Low79 Ų7991.4 Ų91.453%0.53452%0.521SS..  trans-56.8109.4151.7-74.30000105.5N110 A123 V127N110-C125 PolarHBondContact OD1-SG 3.36Å; N110-C125 VanDerWaalsContact OD1-SG 3.4Å; A123-C125 PolarHBondContact O-N 3.09Å; C125-V127 PolarHBondContact O-N 3.39Å
126L48.6Very low63Low176 Ų17685.1 Ų85.192%0.92148%0.477SS*.SBendtrans-55.6-10.9-173.5-97136.5000114.2K124K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L126 PolarHBondContact O-N 3.3Å
127V56.7Low65.2Low83 Ų8381 Ų8150%0.50345%0.449SS..SBendtrans-119.2123.8-171.3-165.30000111C125 S129 C132C125-V127 PolarHBondContact O-N 3.39Å; V127-S129 PolarHBondContact O-N 2.95Å; V127-C132 WeakPolarHBondContact CG1-SG 3.44Å
128N73.7Confident67.6Low117 Ų11779.1 Ų79.163%0.62643%0.434SS*.  trans-59.1127.5172.9178.211.1000110.6A130 G131 C132N128-A130 PolarHBondContact O-N 2.91Å; N128-A130 PolarHBondContact OD1-N 3.3Å; N128-G131 WeakPolarHBondContact O-CA 3.49Å; N128-G131 PolarHBondContact O-N 3.23Å; N128-C132 PolarHBondContact O-N 2.67Å
129S77Confident70.1Confident18 Ų1878.3 Ų78.313%0.12643%0.425CS..Hα-helixtrans-50.9-41.8178.41700000112.2G107 V127 G131 C132 H133G107-S129 PolarHBondContact O-OG 3.25Å; V127-S129 PolarHBondContact O-N 2.95Å; S129-G131 VanDerWaalsContact C-N 3.28Å; S129-G131 PolarHBondContact O-N 3.06Å; S129-C132 WeakPolarHBondContact O-CB 3.49Å; S129-C132 PolarHBondContact O-N 3.01Å; S129-C132 VanDerWaalsContact O-N 3.17Å; S129-H133 PolarHBondContact O-CD2 2.89Å; S129-H133 VanDerWaalsContact O-CD2 3.27Å; S129-H133 PolarHBondContact O-N 3.44Å; S129-H133 VanDerWaalsContact O-N 3.12Å
130A80.3Confident72.8Confident15 Ų1572.1 Ų72.112%0.12439%0.392CS..Hα-helixtrans-63.7-34.6177.700000113.1N128 L134 W195 Y196N128-A130 PolarHBondContact O-N 2.91Å; N128-A130 PolarHBondContact OD1-N 3.3Å; A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.44Å; A130-L134 VanDerWaalsContact O-N 3.1Å; A130-W195 HydrophobicContact CB-CH2 4.29Å; A130-W195 HydrophobicContact CB-CZ3 4.17Å; A130-Y196 HydrophobicContact CB-CD2 4.13Å; A130-Y196 HydrophobicContact CB-CE2 4.17Å; A130-Y196 WeakPolarHBondContact O-CD2 3.36Å
131G82.1Confident75.1Confident24 Ų2468.4 Ų68.425%0.24737%0.374CS..Hα-helixtrans-67.1-42.9173.300000112.4N128 S129 H133 L134 V135N128-G131 WeakPolarHBondContact O-CA 3.49Å; N128-G131 PolarHBondContact O-N 3.23Å; S129-G131 VanDerWaalsContact C-N 3.28Å; S129-G131 PolarHBondContact O-N 3.06Å; G131-H133 PolarHBondContact O-N 3.42Å; G131-L134 PolarHBondContact O-N 2.84Å; G131-V135 WeakPolarHBondContact O-CG2 3.49Å; G131-V135 PolarHBondContact O-N 3.36Å
132C85.1Confident77.8Confident5 Ų563.3 Ų63.33%0.03436%0.355CS..Hα-helixtrans-57.3-47.7176.2-66.80000111.8V127 N128 S129 V135 A136V127-C132 WeakPolarHBondContact CG1-SG 3.44Å; N128-C132 PolarHBondContact O-N 2.67Å; S129-C132 WeakPolarHBondContact O-CB 3.49Å; S129-C132 PolarHBondContact O-N 3.01Å; S129-C132 VanDerWaalsContact O-N 3.17Å; C132-V135 PolarHBondContact O-N 2.9Å; C132-A136 VanDerWaalsContact O-CB 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.41Å; C132-A136 PolarHBondContact O-N 3.22Å
133H88.8Confident80.5Confident1 Ų155.4 Ų55.41%0.00531%0.314CS..Hα-helixtrans-68.5-34.5-180-73.4-59.8000113C104 G107 S129 G131 G137 L192 W195C104-H133 PolarHBondContact O-CE1 3.42Å; G107-H133 VanDerWaalsContact C-NE2 3.28Å; G107-H133 WeakPolarHBondContact CA-NE2 3.44Å; S129-H133 PolarHBondContact O-CD2 2.89Å; S129-H133 VanDerWaalsContact O-CD2 3.27Å; S129-H133 PolarHBondContact O-N 3.44Å; S129-H133 VanDerWaalsContact O-N 3.12Å; G131-H133 PolarHBondContact O-N 3.42Å; H133-G137 PolarHBondContact O-N 2.97Å; H133-L192 HydrophobicContact CB-CD2 4.14Å; H133-W195 HydrophobicContact CB-CE3 3.89Å; H133-W195 HydrophobicContact CB-CH2 4.43Å; H133-W195 HydrophobicContact CB-CZ3 3.6Å; H133-W195 AromaticContact CD2-CH2 3.57Å; H133-W195 AromaticContact CD2-CZ3 3.64Å; H133-W195 AromaticContact CG-CZ3 3.88Å
134L91.6Very high83.2Confident49 Ų4953.1 Ų53.126%0.25729%0.294SS..Hα-helixtrans-63.2-49.1173.4179.365.3000111.4A130 G131 A136 G137 L138 F193 Y196A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.44Å; A130-L134 VanDerWaalsContact O-N 3.1Å; G131-L134 PolarHBondContact O-N 2.84Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-G137 PolarHBondContact O-N 2.95Å; L134-L138 PolarHBondContact O-N 3.28Å; L134-F193 HydrophobicContact CD1-CD1 4.05Å; L134-F193 HydrophobicContact CD1-CE1 4.14Å; L134-Y196 HydrophobicContact CB-CD2 3.95Å; L134-Y196 HydrophobicContact CB-CE2 4.16Å; L134-Y196 HydrophobicContact CB-CG 4.39Å; L134-Y196 HydrophobicContact CD1-CD1 4.14Å; L134-Y196 HydrophobicContact CD1-CE1 4.41Å; L134-Y196 HydrophobicContact CD1-CG 4.21Å; L134-Y196 HydrophobicContact CD2-CD2 4.5Å; L134-Y196 HydrophobicContact CD2-CE1 4.27Å; L134-Y196 HydrophobicContact CD2-CE2 4.02Å
135V93.6Very high85.8Confident70 Ų7047.4 Ų47.442%0.42428%0.279SS..Hα-helixtrans-64.6-41.5178.31780000110.6L103 G131 C132 G137 L138 L139L103-V135 HydrophobicContact CD1-CB 4.2Å; L103-V135 HydrophobicContact CD1-CG1 3.65Å; G131-V135 WeakPolarHBondContact O-CG2 3.49Å; G131-V135 PolarHBondContact O-N 3.36Å; C132-V135 PolarHBondContact O-N 2.9Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 2.86Å; V135-L138 PolarHBondContact O-N 2.99Å; V135-L139 HydrophobicContact CG1-CD1 4.44Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 3.19Å
136A95.4Very high88.3Confident0 Ų045.4 Ų45.40%026%0.263CS..Hα-helixtrans-58.9-44.117400000111.8A100 L103 C104 C132 L134 L138 L139 F140 L192A100-A136 HydrophobicContact CB-CB 4.45Å; L103-A136 HydrophobicContact CB-CB 3.92Å; C104-A136 WeakPolarHBondContact SG-CB 3.31Å; C132-A136 VanDerWaalsContact O-CB 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.41Å; C132-A136 PolarHBondContact O-N 3.22Å; L134-A136 VanDerWaalsContact C-N 3.35Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.22Å; A136-L139 PolarHBondContact O-N 2.96Å; A136-F140 HydrophobicContact CB-CE2 4.49Å; A136-F140 WeakPolarHBondContact O-CD2 3.26Å; A136-F140 PolarHBondContact O-N 3.43Å; A136-L192 HydrophobicContact CB-CD1 4.13Å
137G96.8Very high90.6Very high0 Ų037 Ų370%022%0.219CC..Hα-helixtrans-58.3-42.8175.300000112.9H133 L134 V135 F140 L141 S189 F193H133-G137 PolarHBondContact O-N 2.97Å; L134-G137 PolarHBondContact O-N 2.95Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 2.86Å; G137-F140 PolarHBondContact O-N 3.21Å; G137-L141 PolarHBondContact O-N 3.11Å; G137-S189 WeakPolarHBondContact O-CB 3.24Å; G137-S189 PolarHBondContact O-OG 3.33Å; G137-F193 VanDerWaalsContact C-CZ 3.5Å
138L98.1Very high92.6Very high94 Ų9434.8 Ų34.849%0.49221%0.205SC..Hα-helixtrans-64.3-41.9175.4-70170.4000112.3L134 V135 A136 L141 L142 F193L134-L138 PolarHBondContact O-N 3.28Å; V135-L138 PolarHBondContact O-N 2.99Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.22Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.44Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 2.98Å; L138-F193 HydrophobicContact CD2-CE1 4.22Å; L138-F193 HydrophobicContact CD2-CZ 3.91Å; L138-F193 HydrophobicContact CG-CE1 4.14Å; L138-F193 HydrophobicContact CG-CZ 4.22Å
139L98.3Very high93.7Very high46 Ų4633.5 Ų33.524%0.24120%0.201CC..Hα-helixtrans-66.5-38.3177.1-70-179.8000112.3A100 L103 V135 A136 L141 L142 A143A100-L139 HydrophobicContact CB-CB 3.69Å; A100-L139 HydrophobicContact CB-CD1 4.41Å; L103-L139 HydrophobicContact CD1-CD1 3.75Å; V135-L139 HydrophobicContact CG1-CD1 4.44Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 3.19Å; A136-L139 PolarHBondContact O-N 2.96Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-L142 PolarHBondContact O-N 3.36Å; L139-A143 WeakPolarHBondContact O-CB 3.39Å; L139-A143 PolarHBondContact O-N 3.48Å
140F98.6Very high94.6Very high0 Ų033 Ų330%020%0.198CC..Hα-helixtrans-64-39.2172.5-77.1-56000112.4A97 A100 L101 A136 G137 A143 C144 L185 T188 L192A97-F140 HydrophobicContact CB-CD1 4.3Å; A97-F140 HydrophobicContact CB-CE1 4.23Å; A100-F140 HydrophobicContact CB-CD1 3.83Å; A100-F140 HydrophobicContact CB-CD2 3.77Å; A100-F140 HydrophobicContact CB-CE1 3.71Å; A100-F140 HydrophobicContact CB-CE2 3.63Å; A100-F140 HydrophobicContact CB-CG 3.86Å; A100-F140 HydrophobicContact CB-CZ 3.61Å; L101-F140 HydrophobicContact CD2-CE1 4.44Å; L101-F140 HydrophobicContact CD2-CZ 3.82Å; L101-F140 HydrophobicContact CG-CE1 4.17Å; L101-F140 HydrophobicContact CG-CZ 3.84Å; A136-F140 HydrophobicContact CB-CE2 4.49Å; A136-F140 WeakPolarHBondContact O-CD2 3.26Å; A136-F140 PolarHBondContact O-N 3.43Å; G137-F140 PolarHBondContact O-N 3.21Å; F140-A143 PolarHBondContact O-N 3.35Å; F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 2.92Å; F140-L185 HydrophobicContact CD1-CD2 3.67Å; F140-L185 HydrophobicContact CE1-CD2 4.04Å; F140-T188 HydrophobicContact CD1-CG2 4.41Å; F140-T188 HydrophobicContact CD2-CG2 3.57Å; F140-T188 HydrophobicContact CE1-CG2 4.39Å; F140-T188 HydrophobicContact CE2-CG2 3.55Å; F140-T188 HydrophobicContact CG-CG2 4.02Å; F140-T188 HydrophobicContact CZ-CG2 3.98Å; F140-L192 HydrophobicContact CD2-CD1 3.76Å; F140-L192 HydrophobicContact CE2-CD1 3.94Å
141L98.6Very high95.4Very high66 Ų6632.3 Ų32.335%0.34619%0.192SC..Hα-helixtrans-63.8-43.5174.8-173.961.2000111.4G137 L138 L139 C144 A145 F186 S189 F193G137-L141 PolarHBondContact O-N 3.11Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.44Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L141-C144 WeakPolarHBondContact O-CB 3.32Å; L141-C144 PolarHBondContact O-N 3.42Å; L141-A145 PolarHBondContact O-N 2.97Å; L141-F186 HydrophobicContact CD1-CD2 3.65Å; L141-F186 HydrophobicContact CD1-CE2 3.8Å; L141-S189 WeakPolarHBondContact CB-OG 3.36Å; L141-F193 HydrophobicContact CD2-CE2 4.28Å
142L98.5Very high96.1Very high87 Ų8734.3 Ų34.346%0.45520%0.196SC..Hα-helixtrans-62.3-47.5175.7178.262.3000111.2L138 L139 C144 A145 I146L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 2.98Å; L139-L142 PolarHBondContact O-N 3.36Å; L142-C144 VanDerWaalsContact C-N 3.31Å; L142-C144 PolarHBondContact O-N 3.43Å; L142-A145 PolarHBondContact O-N 3.3Å; L142-A145 VanDerWaalsContact O-N 3.15Å; L142-I146 HydrophobicContact CD1-CD1 3.99Å; L142-I146 HydrophobicContact CD1-CG1 4.23Å; L142-I146 HydrophobicContact CG-CD1 3.82Å; L142-I146 HydrophobicContact CG-CG1 4.47Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.35Å; L142-I146 PolarHBondContact O-N 2.92Å
143A98.4Very high96.7Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-55.5-47.6175.900000111S93 T96 A97 L139 F140 A145 I146 C147 L185S93-A143 PolarHBondContact OG-O 2.95Å; T96-A143 VanDerWaalsContact OG1-CB 3.28Å; T96-A143 WeakPolarHBondContact OG1-CB 3.04Å; A97-A143 HydrophobicContact CB-CB 4.01Å; L139-A143 WeakPolarHBondContact O-CB 3.39Å; L139-A143 PolarHBondContact O-N 3.48Å; F140-A143 PolarHBondContact O-N 3.35Å; A143-A145 PolarHBondContact O-N 3.46Å; A143-I146 PolarHBondContact O-N 3.22Å; A143-C147 PolarHBondContact O-N 3.43Å; A143-C147 VanDerWaalsContact O-N 3.07Å; A143-C147 PolarHBondContact O-SG 3.35Å; A143-L185 HydrophobicContact CB-CD1 3.91Å
144C98.5Very high97Very high13 Ų1339 Ų399%0.08821%0.213CC..Hα-helixtrans-55.2-51.5174.2175.40000111.8F140 L141 L142 I146 C147 V148 A182 L185 F186F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 2.92Å; L141-C144 WeakPolarHBondContact O-CB 3.32Å; L141-C144 PolarHBondContact O-N 3.42Å; L142-C144 VanDerWaalsContact C-N 3.31Å; L142-C144 PolarHBondContact O-N 3.43Å; C144-I146 VanDerWaalsContact C-N 3.29Å; C144-I146 PolarHBondContact O-N 2.97Å; C144-C147 PolarHBondContact O-N 3.35Å; C144-C147 PolarHBondContact O-SG 2.98Å; C144-V148 VanDerWaalsContact O-CB 3.24Å; C144-V148 WeakPolarHBondContact O-CB 3.28Å; C144-V148 WeakPolarHBondContact O-CG1 3.37Å; C144-V148 PolarHBondContact O-N 2.72Å; C144-A182 PolarHBondContact SG-O 3.27Å; C144-A182 VanDerWaalsContact SG-O 3.34Å; C144-L185 HydrophobicContact CB-CB 4.06Å; C144-F186 HydrophobicContact CB-CB 4.45Å
145A98Very high97.2Very high52 Ų5239.1 Ų39.143%0.4321%0.214SC..Hα-helixtrans-59.7-39.8-178.400000112.4L141 L142 A143 T149L141-A145 PolarHBondContact O-N 2.97Å; L142-A145 PolarHBondContact O-N 3.3Å; L142-A145 VanDerWaalsContact O-N 3.15Å; A143-A145 PolarHBondContact O-N 3.46Å; A145-T149 PolarHBondContact O-OG1 3.4Å
146I98Very high97.2Very high38 Ų3842.3 Ų42.320%0.19522%0.222CC..Hα-helixtrans-64.2-46.7178.5-67.9167.1000111.2A89 L92 L142 A143 C144 P150A89-I146 HydrophobicContact CB-CG2 3.97Å; A89-I146 VanDerWaalsContact O-CG2 3.27Å; A89-I146 WeakPolarHBondContact O-CG2 3.36Å; L92-I146 HydrophobicContact CB-CG2 4.47Å; L92-I146 HydrophobicContact CD2-CD1 4.12Å; L92-I146 HydrophobicContact CD2-CG2 4.29Å; L92-I146 HydrophobicContact CG-CD1 4.2Å; L92-I146 HydrophobicContact CG-CG2 4.46Å; L142-I146 HydrophobicContact CD1-CD1 3.99Å; L142-I146 HydrophobicContact CD1-CG1 4.23Å; L142-I146 HydrophobicContact CG-CD1 3.82Å; L142-I146 HydrophobicContact CG-CG1 4.47Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.35Å; L142-I146 PolarHBondContact O-N 2.92Å; A143-I146 PolarHBondContact O-N 3.22Å; C144-I146 VanDerWaalsContact C-N 3.29Å; C144-I146 PolarHBondContact O-N 2.97Å; I146-P150 WeakPolarHBondContact O-CD 3.5Å; I146-P150 VanDerWaalsContact O-CG 3.31Å; I146-P150 WeakPolarHBondContact O-CG 3.49Å
147C97.6Very high97.2Very high0 Ų045.3 Ų45.30%023%0.234CC..Hα-helixtrans-85.9-33.3-175.658.60000114.3L24 L90 S93 A143 C144 P150 S151L24-C147 HydrophobicContact CD2-CB 4.2Å; L90-C147 HydrophobicContact CD2-CB 3.73Å; S93-C147 WeakPolarHBondContact OG-CB 3.34Å; S93-C147 PolarHBondContact OG-SG 2.85Å; A143-C147 PolarHBondContact O-N 3.43Å; A143-C147 VanDerWaalsContact O-N 3.07Å; A143-C147 PolarHBondContact O-SG 3.35Å; C144-C147 PolarHBondContact O-N 3.35Å; C144-C147 PolarHBondContact O-SG 2.98Å; C147-P150 WeakPolarHBondContact O-CD 3.4Å; C147-S151 VanDerWaalsContact O-CB 3.3Å; C147-S151 WeakPolarHBondContact O-CB 3.34Å; C147-S151 PolarHBondContact O-N 2.93Å; C147-S151 PolarHBondContact O-OG 3.16Å
148V97.7Very high97.1Very high35 Ų3545.5 Ų45.521%0.21224%0.235CC..Hα-helixtrans-67.9-41.6-173.876.10000111.9C144 S151 I152 A182C144-V148 VanDerWaalsContact O-CB 3.24Å; C144-V148 WeakPolarHBondContact O-CB 3.28Å; C144-V148 WeakPolarHBondContact O-CG1 3.37Å; C144-V148 PolarHBondContact O-N 2.72Å; V148-S151 PolarHBondContact O-N 3.13Å; V148-I152 HydrophobicContact CG2-CD1 3.73Å; V148-I152 HydrophobicContact CG2-CG1 4.26Å; V148-I152 WeakPolarHBondContact O-CB 3.36Å; V148-I152 WeakPolarHBondContact O-CG1 3.27Å; V148-I152 PolarHBondContact O-N 2.96Å; V148-A182 HydrophobicContact CB-CB 3.86Å; V148-A182 HydrophobicContact CG2-CB 4.09Å
149T96.4Very high96.9Very high90 Ų9044.7 Ų44.755%0.55223%0.231SC*.Hα-helixtrans-59.2-56.3-175.8-53.60000112.2A145 S151 I152 W153A145-T149 PolarHBondContact O-OG1 3.4Å; T149-S151 VanDerWaalsContact C-N 3.33Å; T149-S151 PolarHBondContact O-N 3.24Å; T149-I152 PolarHBondContact O-N 2.9Å; T149-W153 PolarHBondContact O-N 2.72Å
150P96.6Very high96.7Very high8 Ų848.1 Ų48.15%0.05224%0.241CC..Hα-helixtrans-69.7-29.1177.628.7-35.9000113.1V85 L86 A89 I146 C147 W153 V154V85-P150 HydrophobicContact CG1-CB 3.77Å; V85-P150 HydrophobicContact CG1-CG 4.36Å; L86-P150 HydrophobicContact CD2-CB 3.83Å; L86-P150 HydrophobicContact CD2-CG 3.96Å; L86-P150 HydrophobicContact CG-CB 4.04Å; A89-P150 HydrophobicContact CB-CG 3.76Å; I146-P150 WeakPolarHBondContact O-CD 3.5Å; I146-P150 VanDerWaalsContact O-CG 3.31Å; I146-P150 WeakPolarHBondContact O-CG 3.49Å; C147-P150 WeakPolarHBondContact O-CD 3.4Å; P150-W153 PolarHBondContact O-N 3.45Å; P150-V154 PolarHBondContact O-N 3.1Å
151S97Very high96.4Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-65.1-41.9177-59.60000111.9C147 V148 T149C147-S151 VanDerWaalsContact O-CB 3.3Å; C147-S151 WeakPolarHBondContact O-CB 3.34Å; C147-S151 PolarHBondContact O-N 2.93Å; C147-S151 PolarHBondContact O-OG 3.16Å; V148-S151 PolarHBondContact O-N 3.13Å; T149-S151 VanDerWaalsContact C-N 3.33Å; T149-S151 PolarHBondContact O-N 3.24Å
152I97Very high96.3Very high66 Ų6647 Ų4734%0.33824%0.236SC..Hα-helixtrans-69.2-38.5174.1-70.1175.9000110.7V148 T149 V154 I155 F156 I179V148-I152 HydrophobicContact CG2-CD1 3.73Å; V148-I152 HydrophobicContact CG2-CG1 4.26Å; V148-I152 WeakPolarHBondContact O-CB 3.36Å; V148-I152 WeakPolarHBondContact O-CG1 3.27Å; V148-I152 PolarHBondContact O-N 2.96Å; T149-I152 PolarHBondContact O-N 2.9Å; I152-V154 VanDerWaalsContact C-N 3.28Å; I152-V154 PolarHBondContact O-N 3.44Å; I152-I155 WeakPolarHBondContact O-CB 3.05Å; I152-I155 PolarHBondContact O-N 3.28Å; I152-I155 VanDerWaalsContact O-N 3.08Å; I152-F156 HydrophobicContact CG2-CD2 3.84Å; I152-F156 HydrophobicContact CG2-CE2 3.38Å; I152-F156 HydrophobicContact CG2-CZ 4.42Å; I152-F156 WeakPolarHBondContact O-CD2 3.5Å; I152-F156 PolarHBondContact O-N 2.89Å; I152-I179 HydrophobicContact CG1-CD1 4.16Å; I152-I179 HydrophobicContact CG1-CG1 4.42Å
153W96.5Very high96.1Very high105 Ų10552.3 Ų52.340%0.39825%0.25SS..Hα-helixtrans-57.4-40.2178.9-1742000111.9L81 T149 P150 I155 F156 Y157L81-W153 HydrophobicContact CD2-CH2 3.96Å; L81-W153 HydrophobicContact CD2-CZ2 4.43Å; L81-W153 HydrophobicContact CG-CH2 4.46Å; T149-W153 PolarHBondContact O-N 2.72Å; P150-W153 PolarHBondContact O-N 3.45Å; W153-I155 PolarHBondContact O-N 3.29Å; W153-I155 VanDerWaalsContact O-N 3.11Å; W153-F156 PolarHBondContact O-N 2.87Å; W153-Y157 WeakPolarHBondContact O-CB 3.36Å; W153-Y157 PolarHBondContact O-N 3.25Å
154V95.1Very high95.9Very high0 Ų057.9 Ų57.90%027%0.274CS..Hα-helixtrans-53.1-37.4176.4169.50000112.9W33 D82 L86 P150 I152 Y157 N158 V175W33-V154 HydrophobicContact CE3-CG2 4.42Å; D82-V154 HydrophobicContact CB-CG2 4.3Å; L86-V154 HydrophobicContact CD1-CG2 3.34Å; P150-V154 PolarHBondContact O-N 3.1Å; I152-V154 VanDerWaalsContact C-N 3.28Å; I152-V154 PolarHBondContact O-N 3.44Å; V154-Y157 PolarHBondContact O-N 3.01Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 VanDerWaalsContact O-CG 3.27Å; V154-N158 PolarHBondContact O-N 3.41Å; V154-N158 PolarHBondContact O-ND2 3.25Å; V154-V175 HydrophobicContact CG1-CG2 4.04Å
155I95.6Very high95.5Very high51 Ų5163.9 Ų63.926%0.26230%0.296SS..Hα-helixtrans-63.7-49.9178.1-58.6174.2000110.3I152 W153 N158 N159 F171 V175 I179I152-I155 WeakPolarHBondContact O-CB 3.05Å; I152-I155 PolarHBondContact O-N 3.28Å; I152-I155 VanDerWaalsContact O-N 3.08Å; W153-I155 PolarHBondContact O-N 3.29Å; W153-I155 VanDerWaalsContact O-N 3.11Å; I155-N158 PolarHBondContact O-N 2.87Å; I155-N159 PolarHBondContact O-N 3.46Å; I155-F171 HydrophobicContact CG1-CD1 4.42Å; I155-F171 HydrophobicContact CG2-CD1 4.36Å; I155-F171 HydrophobicContact CG2-CE1 3.88Å; I155-F171 HydrophobicContact CG2-CZ 4.32Å; I155-V175 HydrophobicContact CD1-CG1 3.98Å; I155-V175 HydrophobicContact CG1-CG1 3.85Å; I155-I179 HydrophobicContact CD1-CD1 3.8Å
156F95.3Very high95Very high137 Ų13767.8 Ų67.860%0.60131%0.305SS*.Hα-helixtrans-66.5-38.8179.5-67.3-62.6000112.2I152 W153 N159 Y160I152-F156 HydrophobicContact CG2-CD2 3.84Å; I152-F156 HydrophobicContact CG2-CE2 3.38Å; I152-F156 HydrophobicContact CG2-CZ 4.42Å; I152-F156 WeakPolarHBondContact O-CD2 3.5Å; I152-F156 PolarHBondContact O-N 2.89Å; W153-F156 PolarHBondContact O-N 2.87Å; F156-N159 WeakPolarHBondContact O-CB 3.38Å; F156-N159 PolarHBondContact O-N 3.43Å; F156-Y160 PolarHBondContact O-N 2.99Å
157Y94.6Very high94.6Very high64 Ų6471.5 Ų71.525%0.25133%0.332SS..Hα-helixtrans-69-35.8179-166.7-113.9000111.8D82 W153 V154 N159 Y160 L161D82-Y157 HydrophobicContact CB-CD1 4.12Å; D82-Y157 HydrophobicContact CB-CG 4.47Å; D82-Y157 VanDerWaalsContact CG-CD1 3.45Å; D82-Y157 WeakPolarHBondContact OD2-CD1 3.14Å; W153-Y157 WeakPolarHBondContact O-CB 3.36Å; W153-Y157 PolarHBondContact O-N 3.25Å; V154-Y157 PolarHBondContact O-N 3.01Å; Y157-N159 VanDerWaalsContact C-N 3.34Å; Y157-N159 PolarHBondContact O-N 3.39Å; Y157-Y160 HydrophobicContact CD2-CD1 4.09Å; Y157-Y160 AromaticContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CE1 4.24Å; Y157-Y160 WeakPolarHBondContact O-CB 3.45Å; Y157-Y160 PolarHBondContact O-N 2.91Å; Y157-L161 HydrophobicContact CD1-CD1 3.95Å; Y157-L161 HydrophobicContact CD1-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.84Å; Y157-L161 HydrophobicContact CE1-CD2 4.1Å; Y157-L161 HydrophobicContact CE1-CG 4.01Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 3.21Å
158N93.8Very high94.3Very high3 Ų373 Ų732%0.01634%0.341CS..Hα-helixtrans-60-43170.6-80.8-25.7000112.4R34 V154 I155 Y160 L161 N162 F171R34-N158 PolarHBondContact NE-OD1 3.12Å; R34-N158 PolarHBondContact NH2-OD1 2.9Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 VanDerWaalsContact O-CG 3.27Å; V154-N158 PolarHBondContact O-N 3.41Å; V154-N158 PolarHBondContact O-ND2 3.25Å; I155-N158 PolarHBondContact O-N 2.87Å; N158-Y160 VanDerWaalsContact C-N 3.31Å; N158-Y160 PolarHBondContact O-N 3.08Å; N158-L161 PolarHBondContact O-N 2.89Å; N158-N162 PolarHBondContact O-N 2.89Å; N158-N162 PolarHBondContact O-ND2 3.34Å; N158-F171 WeakPolarHBondContact ND2-CB 3.33Å
159N94.3Very high94.1Very high78 Ų7872.9 Ų72.942%0.41734%0.338SS..Hα-helixtrans-62.5-39.8175.1-173.628.9000111.7I155 F156 Y157 N162 R163I155-N159 PolarHBondContact O-N 3.46Å; F156-N159 WeakPolarHBondContact O-CB 3.38Å; F156-N159 PolarHBondContact O-N 3.43Å; Y157-N159 VanDerWaalsContact C-N 3.34Å; Y157-N159 PolarHBondContact O-N 3.39Å; N159-N162 PolarHBondContact O-N 3.36Å; N159-R163 WeakPolarHBondContact O-CG 3.37Å; N159-R163 PolarHBondContact O-N 3.36Å; N159-R163 VanDerWaalsContact O-N 3.1Å
160Y94.8Very high94Very high117 Ų11770.8 Ų70.846%0.45933%0.326SS..Hα-helixtrans-61.3-47173.3171.5-97.1000112.3F156 Y157 N158 N162 R163 K164F156-Y160 PolarHBondContact O-N 2.99Å; Y157-Y160 HydrophobicContact CD2-CD1 4.09Å; Y157-Y160 AromaticContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CE1 4.24Å; Y157-Y160 WeakPolarHBondContact O-CB 3.45Å; Y157-Y160 PolarHBondContact O-N 2.91Å; N158-Y160 VanDerWaalsContact C-N 3.31Å; N158-Y160 PolarHBondContact O-N 3.08Å; Y160-N162 VanDerWaalsContact C-N 3.31Å; Y160-N162 PolarHBondContact O-N 3.35Å; Y160-R163 PolarHBondContact O-N 3.31Å; Y160-K164 HydrophobicContact CE1-CD 4.05Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 3.35Å
161L92.9Very high93.8Very high6 Ų673.8 Ų73.83%0.03134%0.339CS..Hα-helixtrans-59.2-42.7177.4-69.8173.2000111.7Y157 N158 R163 K164 Y165 F169Y157-L161 HydrophobicContact CD1-CD1 3.95Å; Y157-L161 HydrophobicContact CD1-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.84Å; Y157-L161 HydrophobicContact CE1-CD2 4.1Å; Y157-L161 HydrophobicContact CE1-CG 4.01Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 3.21Å; N158-L161 PolarHBondContact O-N 2.89Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3Å; L161-K164 PolarHBondContact O-N 3.39Å; L161-Y165 HydrophobicContact CD2-CD2 4.17Å; L161-Y165 HydrophobicContact CD2-CE2 3.76Å; L161-Y165 WeakPolarHBondContact O-CD2 3.46Å; L161-Y165 PolarHBondContact O-N 2.87Å; L161-F169 HydrophobicContact CB-CD2 3.74Å; L161-F169 HydrophobicContact CB-CE2 4.06Å; L161-F169 HydrophobicContact CB-CG 4.3Å; L161-F169 HydrophobicContact CD1-CG 4.5Å
162N94.6Very high93.6Very high37 Ų3775.4 Ų75.420%0.19835%0.347CS..Hα-helixtrans-64.8-32.9177.9-76.9-23.1000113.5N158 N159 Y160 E166 P167 V168 F169N158-N162 PolarHBondContact O-N 2.89Å; N158-N162 PolarHBondContact O-ND2 3.34Å; N159-N162 PolarHBondContact O-N 3.36Å; Y160-N162 VanDerWaalsContact C-N 3.31Å; Y160-N162 PolarHBondContact O-N 3.35Å; N162-E166 WeakPolarHBondContact CA-O 3.4Å; N162-E166 CarbonylContact O-C 3.57Å; N162-E166 PolarHBondContact OD1-O 3.43Å; N162-P167 WeakPolarHBondContact OD1-CA 3.46Å; N162-V168 PolarHBondContact OD1-N 3.2Å; N162-F169 PolarHBondContact ND2-O 3.46Å; N162-F169 WeakPolarHBondContact OD1-CA 3.49Å; N162-F169 WeakPolarHBondContact OD1-CB 3.27Å; N162-F169 PolarHBondContact OD1-N 3.46Å; N162-F169 PolarHBondContact OD1-O 3.13Å
163R95.3Very high93.5Very high199 Ų19976 Ų7675%0.75135%0.351SS*.Hα-helixtrans-74.7-32.6174.3-72.1178.2-179.9-166.5-3.2112.9N159 Y160 L161N159-R163 WeakPolarHBondContact O-CG 3.37Å; N159-R163 PolarHBondContact O-N 3.36Å; N159-R163 VanDerWaalsContact O-N 3.1Å; Y160-R163 PolarHBondContact O-N 3.31Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3Å
164K94.6Very high93.5Very high116 Ų11671 Ų7150%0.50433%0.332SS..Hα-helixtrans-81-38.6-176.7-177.6174.6-178.51790112.8Y160 L161Y160-K164 HydrophobicContact CE1-CD 4.05Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 3.35Å; L161-K164 PolarHBondContact O-N 3.39Å
165Y89.5Confident93.6Very high140 Ų14071 Ų7155%0.54933%0.332SS..SBendtrans-107.8-94.6-176.8-58-67.1000109.4L161 F169L161-Y165 HydrophobicContact CD2-CD2 4.17Å; L161-Y165 HydrophobicContact CD2-CE2 3.76Å; L161-Y165 WeakPolarHBondContact O-CD2 3.46Å; L161-Y165 PolarHBondContact O-N 2.87Å; Y165-F169 HydrophobicContact CD2-CE2 4.17Å
166E88.3Confident93.7Very high134 Ų13474.1 Ų74.163%0.62634%0.344SS*.  trans-150.4161.8174.9-77.4-170.2169.500107.9N162 V168N162-E166 WeakPolarHBondContact CA-O 3.4Å; N162-E166 CarbonylContact O-C 3.57Å; N162-E166 PolarHBondContact OD1-O 3.43Å; E166-V168 HydrophobicContact CB-CG1 4.07Å; E166-V168 PolarHBondContact O-N 2.88Å
167P88.9Confident93.8Very high116 Ų11669.6 Ų69.675%0.75333%0.325SS*.THydrogen-bonded Turntrans-73.456.5-178.932.5-37.5000113N162N162-P167 WeakPolarHBondContact OD1-CA 3.46Å
168V92.3Very high93.9Very high32 Ų3266.6 Ų66.619%0.19431%0.313CS..THydrogen-bonded Turntrans-102.8-13.5-177.6-61.80000113.1M36 R37 N162 E166M36-V168 WeakPolarHBondContact CA-O 3.15Å; M36-V168 HydrophobicContact CE-CG2 3.9Å; M36-V168 HydrophobicContact CG-CG2 4.21Å; R37-V168 PolarHBondContact N-O 2.89Å; N162-V168 PolarHBondContact OD1-N 3.2Å; E166-V168 HydrophobicContact CB-CG1 4.07Å; E166-V168 PolarHBondContact O-N 2.88Å
169F93.1Very high94.2Very high32 Ų3268.9 Ų68.914%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-96.1134.4-179.2-58-80.3000111.7R34 Q35 M36 L161 N162 Y165R34-F169 HydrophobicContact CG-CD1 4.34Å; Q35-F169 WeakPolarHBondContact O-CA 3.5Å; M36-F169 HydrophobicContact CB-CD1 4.1Å; M36-F169 HydrophobicContact CB-CE1 4.16Å; M36-F169 HydrophobicContact CE-CE1 4.33Å; M36-F169 HydrophobicContact CE-CZ 4.13Å; M36-F169 HydrophobicContact CG-CD1 4.17Å; M36-F169 HydrophobicContact CG-CE1 3.94Å; M36-F169 HydrophobicContact SD-CE1 3.86Å; M36-F169 HydrophobicContact SD-CZ 4.24Å; L161-F169 HydrophobicContact CB-CD2 3.74Å; L161-F169 HydrophobicContact CB-CE2 4.06Å; L161-F169 HydrophobicContact CB-CG 4.3Å; L161-F169 HydrophobicContact CD1-CG 4.5Å; N162-F169 PolarHBondContact ND2-O 3.46Å; N162-F169 WeakPolarHBondContact OD1-CA 3.49Å; N162-F169 WeakPolarHBondContact OD1-CB 3.27Å; N162-F169 PolarHBondContact OD1-N 3.46Å; N162-F169 PolarHBondContact OD1-O 3.13Å; Y165-F169 HydrophobicContact CD2-CE2 4.17Å
170S93.3Very high94.3Very high45 Ų4568.4 Ų68.432%0.31533%0.332SS..EExtended strand (participates in β ladder)trans-131.8154.1169.550.60000110.4R34 Q35R34-S170 CarbonylContact C-O 3.42Å; R34-S170 WeakPolarHBondContact CA-O 3.28Å; Q35-S170 WeakPolarHBondContact CB-OG 3.39Å; Q35-S170 PolarHBondContact N-O 3.08Å; Q35-S170 PolarHBondContact O-N 2.87Å; Q35-S170 PolarHBondContact OE1-OG 2.71Å
171F93.3Very high94.5Very high72 Ų7263.3 Ų63.332%0.31631%0.313SS..EExtended strand (participates in β ladder)trans-87.9160.9164.150.4-87.5000109.8I155 N158 V175 F176I155-F171 HydrophobicContact CG1-CD1 4.42Å; I155-F171 HydrophobicContact CG2-CD1 4.36Å; I155-F171 HydrophobicContact CG2-CE1 3.88Å; I155-F171 HydrophobicContact CG2-CZ 4.32Å; N158-F171 WeakPolarHBondContact ND2-CB 3.33Å; F171-V175 HydrophobicContact CB-CB 4.41Å; F171-V175 HydrophobicContact CB-CG2 3.88Å; F171-F176 HydrophobicContact CD2-CE2 4.12Å; F171-F176 HydrophobicContact CD2-CZ 4.04Å; F171-F176 HydrophobicContact CE2-CE1 4.09Å; F171-F176 HydrophobicContact CE2-CE2 4.05Å; F171-F176 AromaticContact CE2-CZ 3.51Å; F171-F176 HydrophobicContact CE2-CZ 3.51Å
172D92.5Very high94.8Very high33 Ų3363 Ų6318%0.17631%0.312CS..  trans-136-172.5-174.7-170.315.6000111.3N32 Q35 S174 V175N32-D172 HydrophobicContact CB-CB 4.16Å; N32-D172 WeakPolarHBondContact CB-OD2 3.47Å; N32-D172 PolarHBondContact ND2-OD2 3.45Å; N32-D172 CarbonylContact O-C 3.51Å; N32-D172 VanDerWaalsContact O-C 3.28Å; N32-D172 VanDerWaalsContact O-CB 3.31Å; N32-D172 WeakPolarHBondContact O-CB 3.42Å; Q35-D172 HydrophobicContact CG-CB 3.89Å; Q35-D172 PolarHBondContact NE2-OD1 3.31Å; Q35-D172 PolarHBondContact NE2-OD2 3.47Å; D172-S174 PolarHBondContact O-N 2.88Å; D172-V175 PolarHBondContact O-N 2.93Å
173I94.5Very high94.9Very high79 Ų7963.2 Ų63.241%0.40532%0.323SS..Hα-helixtrans-51.7-32.5-165.2-165.663.5000115N32 V175 F176 I177N32-I173 HydrophobicContact CB-CG2 3.71Å; I173-V175 PolarHBondContact O-N 3.49Å; I173-F176 PolarHBondContact O-N 2.95Å; I173-I177 HydrophobicContact CG1-CD1 3.86Å; I173-I177 HydrophobicContact CG1-CG1 4.18Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 3.38Å
174S96.4Very high95.1Very high0 Ų054.5 Ų54.50%030%0.295CS..Hα-helixtrans-61.1-34.4-179.1-58.50000112.4L30 N32 D172 I177 A178L30-S174 VanDerWaalsContact CB-OG 3.25Å; L30-S174 WeakPolarHBondContact CB-OG 3.45Å; L30-S174 PolarHBondContact O-OG 3.48Å; N32-S174 VanDerWaalsContact C-OG 3.31Å; N32-S174 VanDerWaalsContact O-CB 3.23Å; N32-S174 WeakPolarHBondContact O-CB 3.5Å; N32-S174 PolarHBondContact O-N 2.7Å; N32-S174 VanDerWaalsContact O-N 3.14Å; N32-S174 PolarHBondContact O-OG 3.3Å; D172-S174 PolarHBondContact O-N 2.88Å; S174-I177 PolarHBondContact O-N 3.42Å; S174-A178 WeakPolarHBondContact O-CB 3.27Å; S174-A178 PolarHBondContact O-N 2.91Å
175V97.1Very high95.3Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-64.8-45178176.20000110.7W33 V154 I155 F171 D172 I173 A178 I179W33-V175 HydrophobicContact CD2-CG2 4.49Å; W33-V175 HydrophobicContact CE3-CG2 3.59Å; W33-V175 HydrophobicContact CZ3-CG2 3.88Å; V154-V175 HydrophobicContact CG1-CG2 4.04Å; I155-V175 HydrophobicContact CD1-CG1 3.98Å; I155-V175 HydrophobicContact CG1-CG1 3.85Å; F171-V175 HydrophobicContact CB-CB 4.41Å; F171-V175 HydrophobicContact CB-CG2 3.88Å; D172-V175 PolarHBondContact O-N 2.93Å; I173-V175 PolarHBondContact O-N 3.49Å; V175-A178 PolarHBondContact O-N 3.42Å; V175-I179 HydrophobicContact CG1-CD1 3.85Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.43Å
176F97.4Very high95.7Very high117 Ų11747 Ų4751%0.51327%0.266SS..Hα-helixtrans-66.2-42.4178.8-63.5-67.9000112F171 I173 A178 I179 A180F171-F176 HydrophobicContact CD2-CE2 4.12Å; F171-F176 HydrophobicContact CD2-CZ 4.04Å; F171-F176 HydrophobicContact CE2-CE1 4.09Å; F171-F176 HydrophobicContact CE2-CE2 4.05Å; F171-F176 AromaticContact CE2-CZ 3.51Å; F171-F176 HydrophobicContact CE2-CZ 3.51Å; I173-F176 PolarHBondContact O-N 2.95Å; F176-A178 VanDerWaalsContact C-N 3.33Å; F176-A178 PolarHBondContact O-N 3.17Å; F176-I179 PolarHBondContact O-N 3.34Å; F176-A180 WeakPolarHBondContact O-CB 3.37Å; F176-A180 PolarHBondContact O-N 3.19Å
177I98.1Very high96.2Very high42 Ų4244.8 Ų44.822%0.21525%0.254CS..Hα-helixtrans-61.4-44.6176.8-65.8169.9000110.2G23 A27 L30 I173 S174 A180 S181G23-I177 WeakPolarHBondContact O-CG2 3.36Å; A27-I177 HydrophobicContact CB-CB 4.36Å; A27-I177 HydrophobicContact CB-CG2 4.05Å; L30-I177 HydrophobicContact CD1-CD1 3.79Å; I173-I177 HydrophobicContact CG1-CD1 3.86Å; I173-I177 HydrophobicContact CG1-CG1 4.18Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 3.38Å; S174-I177 PolarHBondContact O-N 3.42Å; I177-A180 PolarHBondContact O-N 3.27Å; I177-S181 VanDerWaalsContact O-CB 3.26Å; I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.12Å; I177-S181 PolarHBondContact O-OG 3.43Å
178A98.1Very high96.6Very high0 Ų039.3 Ų39.30%022%0.218CC..Hα-helixtrans-63.7-45.8179.600000112.3A27 W33 L90 S174 V175 F176 S181 A182A27-A178 HydrophobicContact CB-CB 3.99Å; W33-A178 HydrophobicContact CH2-CB 3.49Å; W33-A178 VanDerWaalsContact CH2-CB 3.49Å; W33-A178 HydrophobicContact CZ2-CB 4.03Å; W33-A178 HydrophobicContact CZ3-CB 4.45Å; L90-A178 HydrophobicContact CD2-CB 4.47Å; S174-A178 WeakPolarHBondContact O-CB 3.27Å; S174-A178 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.42Å; F176-A178 VanDerWaalsContact C-N 3.33Å; F176-A178 PolarHBondContact O-N 3.17Å; A178-S181 PolarHBondContact O-N 3.05Å; A178-A182 WeakPolarHBondContact O-CB 3.24Å; A178-A182 PolarHBondContact O-N 2.89Å
179I98.2Very high96.8Very high51 Ų5137.8 Ų37.826%0.26221%0.209SC..Hα-helixtrans-65.6-43.2177.9-67.2171.4000111.2I152 I155 V175 F176 S181 A182 G183I152-I179 HydrophobicContact CG1-CD1 4.16Å; I152-I179 HydrophobicContact CG1-CG1 4.42Å; I155-I179 HydrophobicContact CD1-CD1 3.8Å; V175-I179 HydrophobicContact CG1-CD1 3.85Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.43Å; F176-I179 PolarHBondContact O-N 3.34Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 2.87Å; I179-A182 PolarHBondContact O-N 3.24Å; I179-G183 PolarHBondContact O-N 3.36Å
180A98.3Very high97Very high69 Ų6939.1 Ų39.157%0.5722%0.217SC*.Hα-helixtrans-62.5-41.8176.400000111.4F176 I177 G183 G184F176-A180 WeakPolarHBondContact O-CB 3.37Å; F176-A180 PolarHBondContact O-N 3.19Å; I177-A180 PolarHBondContact O-N 3.27Å; A180-G183 PolarHBondContact O-N 3.01Å; A180-G184 PolarHBondContact O-N 3.43Å
181S98.4Very high97Very high9 Ų939 Ų396%0.06321%0.212CC..Hα-helixtrans-64.1-42.4175.8-57.30000111.4S20 G23 L24 I177 A178 I179 G183 G184 L185S20-S181 WeakPolarHBondContact CB-O 3.33Å; S20-S181 WeakPolarHBondContact O-CB 3.19Å; G23-S181 VanDerWaalsContact C-OG 3.26Å; G23-S181 VanDerWaalsContact CA-OG 3.31Å; G23-S181 WeakPolarHBondContact CA-OG 3.21Å; L24-S181 PolarHBondContact N-OG 3.3Å; I177-S181 VanDerWaalsContact O-CB 3.26Å; I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.12Å; I177-S181 PolarHBondContact O-OG 3.43Å; A178-S181 PolarHBondContact O-N 3.05Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 2.87Å; S181-G183 VanDerWaalsContact C-N 3.33Å; S181-G183 PolarHBondContact O-N 3.17Å; S181-G184 PolarHBondContact O-N 2.87Å; S181-G184 VanDerWaalsContact O-N 3.14Å; S181-L185 WeakPolarHBondContact O-CG 3.16Å; S181-L185 PolarHBondContact O-N 3.5Å
182A98.4Very high97Very high0 Ų035.6 Ų35.60%020%0.197CC..Hα-helixtrans-60.1-43.2173.600000111.8C144 V148 A178 I179 G184 L185 F186C144-A182 PolarHBondContact SG-O 3.27Å; C144-A182 VanDerWaalsContact SG-O 3.34Å; V148-A182 HydrophobicContact CB-CB 3.86Å; V148-A182 HydrophobicContact CG2-CB 4.09Å; A178-A182 WeakPolarHBondContact O-CB 3.24Å; A178-A182 PolarHBondContact O-N 2.89Å; I179-A182 PolarHBondContact O-N 3.24Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 3.09Å; A182-L185 WeakPolarHBondContact O-CB 3.38Å; A182-L185 PolarHBondContact O-N 3.48Å; A182-F186 PolarHBondContact O-N 3.33Å
183G98.3Very high97Very high41 Ų4136.6 Ų36.642%0.42320%0.2SC..Hα-helixtrans-59.2-39.8172.700000112.9I179 A180 S181 F186 F187I179-G183 PolarHBondContact O-N 3.36Å; A180-G183 PolarHBondContact O-N 3.01Å; S181-G183 VanDerWaalsContact C-N 3.33Å; S181-G183 PolarHBondContact O-N 3.17Å; G183-F186 PolarHBondContact O-N 2.86Å; G183-F187 WeakPolarHBondContact O-CB 3.36Å; G183-F187 PolarHBondContact O-N 3.49Å
184G98.3Very high96.8Very high17 Ų1737.6 Ų37.618%0.17521%0.206CC..Hα-helixtrans-64.9-39.7173.900000113.5S20 A180 S181 A182 F187 T188S20-G184 VanDerWaalsContact OG-CA 3.27Å; S20-G184 WeakPolarHBondContact OG-CA 3.29Å; A180-G184 PolarHBondContact O-N 3.43Å; S181-G184 PolarHBondContact O-N 2.87Å; S181-G184 VanDerWaalsContact O-N 3.14Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 3.09Å; G184-F187 PolarHBondContact O-N 2.91Å; G184-T188 WeakPolarHBondContact O-CB 3.36Å; G184-T188 PolarHBondContact O-N 3.38Å; G184-T188 PolarHBondContact O-OG1 3.05Å
185L98.5Very high96.3Very high0 Ų038.3 Ų38.30%021%0.208CC..Hα-helixtrans-63.3-42.7172.6-63.3174.2000111.5S20 L24 A97 F140 A143 C144 S181 A182 T188 S189S20-L185 PolarHBondContact OG-N 3.31Å; L24-L185 HydrophobicContact CD1-CD1 3.78Å; A97-L185 HydrophobicContact CB-CD2 3.82Å; F140-L185 HydrophobicContact CD1-CD2 3.67Å; F140-L185 HydrophobicContact CE1-CD2 4.04Å; A143-L185 HydrophobicContact CB-CD1 3.91Å; C144-L185 HydrophobicContact CB-CB 4.06Å; S181-L185 WeakPolarHBondContact O-CG 3.16Å; S181-L185 PolarHBondContact O-N 3.5Å; A182-L185 WeakPolarHBondContact O-CB 3.38Å; A182-L185 PolarHBondContact O-N 3.48Å; L185-T188 WeakPolarHBondContact O-CB 3.45Å; L185-T188 PolarHBondContact O-N 2.04Å; L185-S189 PolarHBondContact O-N 2.78Å
186F98.5Very high95.8Very high99 Ų9940.5 Ų40.543%0.43422%0.217SC..Hα-helixtrans-62.7-46.8175.8-176.5-115.5000112.1L141 C144 A182 G183 T188 S189 I190L141-F186 HydrophobicContact CD1-CD2 3.65Å; L141-F186 HydrophobicContact CD1-CE2 3.8Å; C144-F186 HydrophobicContact CB-CB 4.45Å; A182-F186 PolarHBondContact O-N 3.33Å; G183-F186 PolarHBondContact O-N 2.86Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.05Å; F186-S189 WeakPolarHBondContact O-CB 3.47Å; F186-S189 PolarHBondContact O-N 3.37Å; F186-I190 HydrophobicContact CD1-CD1 3.77Å; F186-I190 HydrophobicContact CE1-CD1 3.33Å; F186-I190 HydrophobicContact CE1-CG1 4.39Å; F186-I190 HydrophobicContact CE2-CD1 4.22Å; F186-I190 HydrophobicContact CE2-CG1 4.5Å; F186-I190 HydrophobicContact CG-CD1 4.4Å; F186-I190 HydrophobicContact CZ-CD1 3.58Å; F186-I190 HydrophobicContact CZ-CG1 4.29Å; F186-I190 WeakPolarHBondContact O-CG1 3.35Å; F186-I190 PolarHBondContact O-N 3.43Å
187F97.8Very high95.1Very high87 Ų8739 Ų3938%0.38222%0.22SC..Hα-helixtrans-58.2-44.6175174.9-99.7000111.8G183 G184 S189 I190 M191G183-F187 WeakPolarHBondContact O-CB 3.36Å; G183-F187 PolarHBondContact O-N 3.49Å; G184-F187 PolarHBondContact O-N 2.91Å; F187-S189 VanDerWaalsContact C-N 3.32Å; F187-S189 PolarHBondContact O-N 2.91Å; F187-I190 PolarHBondContact O-N 3.44Å; F187-M191 HydrophobicContact CD1-CG 4.36Å; F187-M191 HydrophobicContact CE1-CG 3.87Å; F187-M191 HydrophobicContact CE2-CE 4.05Å; F187-M191 HydrophobicContact CE2-CG 4.2Å; F187-M191 HydrophobicContact CZ-CE 4.26Å; F187-M191 HydrophobicContact CZ-CG 3.78Å; F187-M191 HydrophobicContact CZ-SD 4.13Å; F187-M191 WeakPolarHBondContact O-CG 3.15Å; F187-M191 PolarHBondContact O-N 3.4Å
188T97.3Very high94.2Very high0 Ų040.7 Ų40.70%024%0.241CC..Hα-helixtrans-58.1-45.5175.8-57.80000111.3A13 S16 G17 F140 G184 L185 F186 M191 L192A13-T188 HydrophobicContact CB-CG2 4.06Å; A13-T188 WeakPolarHBondContact O-CG2 3.22Å; S16-T188 PolarHBondContact OG-OG1 2.93Å; S16-T188 VanDerWaalsContact OG-OG1 3.13Å; G17-T188 PolarHBondContact N-OG1 3.5Å; F140-T188 HydrophobicContact CD1-CG2 4.41Å; F140-T188 HydrophobicContact CD2-CG2 3.57Å; F140-T188 HydrophobicContact CE1-CG2 4.39Å; F140-T188 HydrophobicContact CE2-CG2 3.55Å; F140-T188 HydrophobicContact CG-CG2 4.02Å; F140-T188 HydrophobicContact CZ-CG2 3.98Å; G184-T188 WeakPolarHBondContact O-CB 3.36Å; G184-T188 PolarHBondContact O-N 3.38Å; G184-T188 PolarHBondContact O-OG1 3.05Å; L185-T188 WeakPolarHBondContact O-CB 3.45Å; L185-T188 PolarHBondContact O-N 2.04Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.05Å; T188-M191 PolarHBondContact O-N 3.16Å; T188-L192 HydrophobicContact CG2-CD1 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.48Å; T188-L192 PolarHBondContact O-N 2.96Å; T188-L192 VanDerWaalsContact O-N 3.13Å
189S97.8Very high93Very high0 Ų042.2 Ų42.20%025%0.25CS..Hα-helixtrans-59.5-47.8177-177.50000112.2G137 L141 L185 F186 F187 M191 L192 F193G137-S189 WeakPolarHBondContact O-CB 3.24Å; G137-S189 PolarHBondContact O-OG 3.33Å; L141-S189 WeakPolarHBondContact CB-OG 3.36Å; L185-S189 PolarHBondContact O-N 2.78Å; F186-S189 WeakPolarHBondContact O-CB 3.47Å; F186-S189 PolarHBondContact O-N 3.37Å; F187-S189 VanDerWaalsContact C-N 3.32Å; F187-S189 PolarHBondContact O-N 2.91Å; S189-M191 PolarHBondContact O-N 2.86Å; S189-L192 PolarHBondContact O-N 3.28Å; S189-F193 WeakPolarHBondContact O-CD2 3.46Å; S189-F193 WeakPolarHBondContact O-CG 3.48Å; S189-F193 PolarHBondContact O-N 3.19Å; S189-F193 WeakPolarHBondContact OG-CE2 3Å; S189-F193 WeakPolarHBondContact OG-CZ 3.21Å
190I96.9Very high91.4Very high61 Ų6142.7 Ų42.731%0.31325%0.251SS..Hα-helixtrans-59.4-46.4177.3-69.9169.5000111.1F186 F187 L192 F193 L194F186-I190 HydrophobicContact CD1-CD1 3.77Å; F186-I190 HydrophobicContact CE1-CD1 3.33Å; F186-I190 HydrophobicContact CE1-CG1 4.39Å; F186-I190 HydrophobicContact CE2-CD1 4.22Å; F186-I190 HydrophobicContact CE2-CG1 4.5Å; F186-I190 HydrophobicContact CG-CD1 4.4Å; F186-I190 HydrophobicContact CZ-CD1 3.58Å; F186-I190 HydrophobicContact CZ-CG1 4.29Å; F186-I190 WeakPolarHBondContact O-CG1 3.35Å; F186-I190 PolarHBondContact O-N 3.43Å; F187-I190 PolarHBondContact O-N 3.44Å; I190-L192 VanDerWaalsContact C-N 3.28Å; I190-L192 PolarHBondContact O-N 3.28Å; I190-F193 PolarHBondContact O-N 3.2Å; I190-L194 HydrophobicContact CG2-CD1 3.73Å; I190-L194 HydrophobicContact CG2-CG 4.06Å; I190-L194 WeakPolarHBondContact O-CB 3.5Å; I190-L194 WeakPolarHBondContact O-CG 3.43Å; I190-L194 PolarHBondContact O-N 3.4Å
191M93.6Very high89.2Confident42 Ų4243.7 Ų43.721%0.20725%0.253CS..Hα-helixtrans-57.2-43178.5-76.3-65.9108.600111.8A13 F187 T188 S189 L194 W195A13-M191 HydrophobicContact CB-CB 4.16Å; F187-M191 HydrophobicContact CD1-CG 4.36Å; F187-M191 HydrophobicContact CE1-CG 3.87Å; F187-M191 HydrophobicContact CE2-CE 4.05Å; F187-M191 HydrophobicContact CE2-CG 4.2Å; F187-M191 HydrophobicContact CZ-CE 4.26Å; F187-M191 HydrophobicContact CZ-CG 3.78Å; F187-M191 HydrophobicContact CZ-SD 4.13Å; F187-M191 WeakPolarHBondContact O-CG 3.15Å; F187-M191 PolarHBondContact O-N 3.4Å; T188-M191 PolarHBondContact O-N 3.16Å; S189-M191 PolarHBondContact O-N 2.86Å; M191-L194 HydrophobicContact CE-CD1 3.85Å; M191-W195 WeakPolarHBondContact O-CB 3.39Å; M191-W195 PolarHBondContact O-N 2.91Å
192L92.8Very high86.6Confident1 Ų150.1 Ų50.11%0.00529%0.287CS..Hα-helixtrans-68.6-36.9178.2-66.4171.8000112.7A13 C104 H133 A136 F140 T188 S189 I190 Y196A13-L192 HydrophobicContact CB-CD2 3.79Å; A13-L192 HydrophobicContact CB-CG 3.94Å; C104-L192 VanDerWaalsContact SG-CD1 3.56Å; H133-L192 HydrophobicContact CB-CD2 4.14Å; A136-L192 HydrophobicContact CB-CD1 4.13Å; F140-L192 HydrophobicContact CD2-CD1 3.76Å; F140-L192 HydrophobicContact CE2-CD1 3.94Å; T188-L192 HydrophobicContact CG2-CD1 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.48Å; T188-L192 PolarHBondContact O-N 2.96Å; T188-L192 VanDerWaalsContact O-N 3.13Å; S189-L192 PolarHBondContact O-N 3.28Å; I190-L192 VanDerWaalsContact C-N 3.28Å; I190-L192 PolarHBondContact O-N 3.28Å; L192-Y196 WeakPolarHBondContact O-CB 3.3Å; L192-Y196 PolarHBondContact O-N 3.25Å
193F92.7Very high84.2Confident53 Ų5356.1 Ų56.123%0.23233%0.326CS..Hα-helixtrans-68.4-44.4174.8-63.7-28.8000112.5L134 G137 L138 L141 S189 I190 W195 Y196 C197L134-F193 HydrophobicContact CD1-CD1 4.05Å; L134-F193 HydrophobicContact CD1-CE1 4.14Å; G137-F193 VanDerWaalsContact C-CZ 3.5Å; L138-F193 HydrophobicContact CD2-CE1 4.22Å; L138-F193 HydrophobicContact CD2-CZ 3.91Å; L138-F193 HydrophobicContact CG-CE1 4.14Å; L138-F193 HydrophobicContact CG-CZ 4.22Å; L141-F193 HydrophobicContact CD2-CE2 4.28Å; S189-F193 WeakPolarHBondContact O-CD2 3.46Å; S189-F193 WeakPolarHBondContact O-CG 3.48Å; S189-F193 PolarHBondContact O-N 3.19Å; S189-F193 WeakPolarHBondContact OG-CE2 3Å; S189-F193 WeakPolarHBondContact OG-CZ 3.21Å; I190-F193 PolarHBondContact O-N 3.2Å; F193-W195 VanDerWaalsContact C-N 3.3Å; F193-W195 PolarHBondContact O-N 3.43Å; F193-Y196 PolarHBondContact O-N 2.92Å; F193-C197 PolarHBondContact O-N 2.81Å; F193-C197 PolarHBondContact O-SG 3.19Å; F193-C197 VanDerWaalsContact O-SG 3.33Å
194L89.9Confident81.6Confident101 Ų10157.6 Ų57.653%0.52933%0.329SS..Hα-helixtrans-61.4-42.5175-70.5177.3000110.9I190 M191 C197 A198I190-L194 HydrophobicContact CG2-CD1 3.73Å; I190-L194 HydrophobicContact CG2-CG 4.06Å; I190-L194 WeakPolarHBondContact O-CB 3.5Å; I190-L194 WeakPolarHBondContact O-CG 3.43Å; I190-L194 PolarHBondContact O-N 3.4Å; M191-L194 HydrophobicContact CE-CD1 3.85Å; L194-C197 PolarHBondContact O-N 2.87Å; L194-A198 WeakPolarHBondContact O-CB 3.27Å; L194-A198 PolarHBondContact O-N 2.83Å
195W86.6Confident79.2Confident14 Ų1462 Ų625%0.05336%0.355CS..Hα-helixtrans-59.5-46.2173.8178.793.8000111.7V6 T10 A130 H133 M191 F193 C197 A198 C199V6-W195 HydrophobicContact CG1-CG 4.16Å; V6-W195 VanDerWaalsContact O-CD1 3.22Å; V6-W195 PolarHBondContact O-NE1 2.85Å; T10-W195 HydrophobicContact CG2-CD2 3.78Å; T10-W195 HydrophobicContact CG2-CE3 4.45Å; T10-W195 HydrophobicContact CG2-CG 3.93Å; T10-W195 HydrophobicContact CG2-CZ2 4.06Å; A130-W195 HydrophobicContact CB-CH2 4.29Å; A130-W195 HydrophobicContact CB-CZ3 4.17Å; H133-W195 HydrophobicContact CB-CE3 3.89Å; H133-W195 HydrophobicContact CB-CH2 4.43Å; H133-W195 HydrophobicContact CB-CZ3 3.6Å; H133-W195 AromaticContact CD2-CH2 3.57Å; H133-W195 AromaticContact CD2-CZ3 3.64Å; H133-W195 AromaticContact CG-CZ3 3.88Å; M191-W195 WeakPolarHBondContact O-CB 3.39Å; M191-W195 PolarHBondContact O-N 2.91Å; F193-W195 VanDerWaalsContact C-N 3.3Å; F193-W195 PolarHBondContact O-N 3.43Å; W195-C197 PolarHBondContact O-N 3Å; W195-A198 PolarHBondContact O-N 3.27Å; W195-C199 WeakPolarHBondContact O-CB 3.42Å; W195-C199 PolarHBondContact O-N 3.25Å
196Y85.7Confident76.9Confident47 Ų4767.8 Ų67.818%0.18438%0.38CS..Hα-helixtrans-60.4-45.1177.6178.2-96000111.9A130 L134 L192 F193 C199 K200 F206A130-Y196 HydrophobicContact CB-CD2 4.13Å; A130-Y196 HydrophobicContact CB-CE2 4.17Å; A130-Y196 WeakPolarHBondContact O-CD2 3.36Å; L134-Y196 HydrophobicContact CB-CD2 3.95Å; L134-Y196 HydrophobicContact CB-CE2 4.16Å; L134-Y196 HydrophobicContact CB-CG 4.39Å; L134-Y196 HydrophobicContact CD1-CD1 4.14Å; L134-Y196 HydrophobicContact CD1-CE1 4.41Å; L134-Y196 HydrophobicContact CD1-CG 4.21Å; L134-Y196 HydrophobicContact CD2-CD2 4.5Å; L134-Y196 HydrophobicContact CD2-CE1 4.27Å; L134-Y196 HydrophobicContact CD2-CE2 4.02Å; L192-Y196 WeakPolarHBondContact O-CB 3.3Å; L192-Y196 PolarHBondContact O-N 3.25Å; F193-Y196 PolarHBondContact O-N 2.92Å; Y196-C199 PolarHBondContact O-N 3.25Å; Y196-K200 PolarHBondContact O-N 2.83Å; Y196-K200 VanDerWaalsContact O-N 3.08Å; Y196-F206 WeakPolarHBondContact OH-CZ 3.41Å
197C83.3Confident74.3Confident85 Ų8573.9 Ų73.957%0.57440%0.401SS*.Hα-helixtrans-65.2-44.3177.7-70.10000112.5F193 L194 W195 C199 K200F193-C197 PolarHBondContact O-N 2.81Å; F193-C197 PolarHBondContact O-SG 3.19Å; F193-C197 VanDerWaalsContact O-SG 3.33Å; L194-C197 PolarHBondContact O-N 2.87Å; W195-C197 PolarHBondContact O-N 3Å; C197-C199 VanDerWaalsContact C-N 3.27Å; C197-C199 PolarHBondContact O-N 3.4Å; C197-K200 PolarHBondContact O-N 2.8Å
198A79.1Confident71.5Confident78 Ų7877.2 Ų77.265%0.64542%0.417SS*.Hα-helixtrans-65.6-33.1176.700000111.9L194 W195L194-A198 WeakPolarHBondContact O-CB 3.27Å; L194-A198 PolarHBondContact O-N 2.83Å; W195-A198 PolarHBondContact O-N 3.27Å
199C72.3Confident68.7Low31 Ų3182.6 Ų82.621%0.20945%0.452CS..Hα-helixtrans-75.5-24.9179.1-167.80000112.9C3 W195 Y196 C197 S201C3-C199 HydrophobicContact CB-CB 4.15Å; C3-C199 WeakPolarHBondContact CB-SG 3.43Å; C3-C199 WeakPolarHBondContact SG-CA 3.42Å; C3-C199 WeakPolarHBondContact SG-CB 3.33Å; C3-C199 CovalentContact SG-SG 2.04Å; C3-C199 PolarHBondContact SG-SG 2.93Å; W195-C199 WeakPolarHBondContact O-CB 3.42Å; W195-C199 PolarHBondContact O-N 3.25Å; Y196-C199 PolarHBondContact O-N 3.25Å; C197-C199 VanDerWaalsContact C-N 3.27Å; C197-C199 PolarHBondContact O-N 3.4Å; C199-S201 PolarHBondContact O-N 2.99Å
200K64.7Low66.1Low61 Ų6190.2 Ų90.227%0.26549%0.492SS..  trans-88.6100.7175.5-166.7-174180-157.50110.8Y196 C197 L202 F206Y196-K200 PolarHBondContact O-N 2.83Å; Y196-K200 VanDerWaalsContact O-N 3.08Å; C197-K200 PolarHBondContact O-N 2.8Å; K200-L202 PolarHBondContact O-N 2.87Å; K200-L202 VanDerWaalsContact O-N 3.12Å; K200-F206 HydrophobicContact CD-CE2 4.27Å
201S53.1Low63.6Low90 Ų9097.9 Ų97.963%0.62952%0.519SS*.  trans-63.2110.9162.3-32.40000108.5C199C199-S201 PolarHBondContact O-N 2.99Å
202L42.9Very low61Low145 Ų145100.8 Ų100.876%0.75954%0.543SS*.SBendtrans-71.1137164.4-79.2105.7000108.5K200K200-L202 PolarHBondContact O-N 2.87Å; K200-L202 VanDerWaalsContact O-N 3.12Å
203P49Very low58.5Low126 Ų126109.3 Ų109.382%0.81858%0.582SS**  cis-112.4133.31536.1-22.8000112
204S42.9Very low55.8Low71 Ų71111 Ų11150%0.49761%0.606SS.*  trans-144.5138156.270.20000110.4F206S204-F206 PolarHBondContact O-N 2.92Å
205P47.7Very low53.3Low110 Ų110112 Ų11271%0.71462%0.619SS**  trans-69.8118.8-170.330-31.5000107.4W207P205-W207 PolarHBondContact O-N 2.96Å
206F51.3Low50.9Low121 Ų121116 Ų11653%0.53165%0.649SS.*SBendtrans-53.3131.2165-110.6-116.8000107.9Y196 K200 S204Y196-F206 WeakPolarHBondContact OH-CZ 3.41Å; K200-F206 HydrophobicContact CD-CE2 4.27Å; S204-F206 PolarHBondContact O-N 2.92Å
207W43.8Very low48.6Very low228 Ų228122.7 Ų122.786%0.86468%0.684SS**  trans87.248.4167.6-53.3103.6000120.4P205 P209P205-W207 PolarHBondContact O-N 2.96Å; W207-P209 WeakPolarHBondContact O-CD 2.86Å
208Q38.1Very low46.3Very low156 Ų156126.2 Ų126.273%0.72969%0.692SS**  trans-89.1113149.7-83.7-174.2-27.300110.1
209P38Very low44.1Very low114 Ų114127.5 Ų127.574%0.7470%0.697SS**  trans-59.6143.6163.2-4.619.9000107.7W207 Y211W207-P209 WeakPolarHBondContact O-CD 2.86Å; P209-Y211 PolarHBondContact O-N 3Å
210L42.8Very low42.3Very low160 Ų160137.8 Ų137.884%0.83873%0.733SS**SBendtrans-19.396.2165.8-76.8145000112.7
211Y46.1Very low40.9Very low221 Ų221139.1 Ų139.187%0.86776%0.755SS**  trans173.487.9147-78.1-57.2000107.2P209P209-Y211 PolarHBondContact O-N 3Å
212S37.8Very low40.2Very low103 Ų103140.4 Ų140.472%0.7276%0.764SS**  trans-117.4107.9158.657.40000106.4
213H40.8Very low39.8Very low180 Ų180142.5 Ų142.583%0.83377%0.77SS**  trans-45.4145171.9-75-36.6000111.2
214A36Very low39.2Very low89 Ų89142 Ų14274%0.73677%0.766SS**  trans-54.9135.3173.100000109.4S216A214-S216 PolarHBondContact O-N 3Å
215P37.6Very low38.8Very low123 Ų123149.5 Ų149.580%0.79979%0.785SS**  trans-67.7108.1167.528.2-29.2000106.5M217P215-M217 PolarHBondContact O-N 2.76Å
216S36.5Very low38.3Very low98 Ų98149.7 Ų149.769%0.68579%0.789SS**  trans-58.1107.3167.350.80000107.8A214 H218A214-S216 PolarHBondContact O-N 3Å; S216-H218 VanDerWaalsContact C-N 3.27Å; S216-H218 PolarHBondContact O-N 3.39Å
217M36.5Very low37.9Very low186 Ų186148.6 Ų148.692%0.91680%0.803SS**  trans-65.490.8164.9-82.3-127.3167.700108.4P215P215-M217 PolarHBondContact O-N 2.76Å
218H34.6Very low37.5Very low159 Ų159148.9 Ų148.974%0.73680%0.804SS**  trans-128.4114.4164.4-80.1-49.6000110.4S216S216-H218 VanDerWaalsContact C-N 3.27Å; S216-H218 PolarHBondContact O-N 3.39Å
219S34.5Very low37.6Very low106 Ų106146.3 Ų146.374%0.74180%0.803SS**  trans85.889.8137.8-50.20000118.1A221S219-A221 PolarHBondContact O-N 3.18Å
220Y34.1Very low37.7Very low247 Ų247152.3 Ų152.397%0.96981%0.811SS**  trans-75.398.4139.4-93-89.1000108.2
221A35.2Very low37.5Very low88 Ų88152.6 Ų152.673%0.72781%0.812SS**  trans-146.5116156.300000107.8S219S219-A221 PolarHBondContact O-N 3.18Å
222S37.4Very low37.4Very low117 Ų117147.6 Ų147.682%0.81881%0.809SS**  trans-64.1128176.748.50000112.1
223Q34.3Very low37.6Very low189 Ų189147.3 Ų147.388%0.88381%0.813SS**  trans-151.2152.2146.9-91.1-147.4-19.300112.6
224P38.4Very low37.6Very low115 Ų115145.8 Ų145.875%0.74781%0.81SS**  trans-100.4155.1-155.835.7-26.6000114.6
225Y33.5Very low37.9Very low230 Ų230150.7 Ų150.790%0.90282%0.818SS**  trans10.8118.7157.7-102.9-94.8000119.6
226S37.3Very low38.2Very low114 Ų114151.2 Ų151.280%0.79781%0.812SS**  trans-159.5112.3139.7178.10000110.3
227A42.8Very low38.2Very low98 Ų98153.9 Ų153.981%0.8182%0.819SS**  trans-79.1113.4167.700000108.9
228R36Very low38.5Very low234 Ų234151.4 Ų151.488%0.88381%0.808SS**  trans-150.8107.3157.3-149.3170.4-166.7177.63111.2
229S39.9Very low38.8Very low101 Ų101149.5 Ų149.571%0.70681%0.81SS**  trans-55.7135.916062.90000109.8
230R38.7Very low39.4Very low241 Ų241150.9 Ų150.991%0.90981%0.813SS**  -175134.5124.6-100.7171.2-170.4-143.42.3112.1
231L39.8Very low39.8Very low165 Ų165144.7 Ų144.786%0.86480%0.801SS**  trans-55.8166.7166.9-77.9130.2000112.7
232S43.2Very low40.3Very low116 Ų116146.7 Ų146.781%0.81180%0.804SS**  trans79107.2161.654.80000117.9
233A42.1Very low40.3Very low97 Ų97149.7 Ų149.780%0.80281%0.805SS**  trans-64.7130.7158.500000110.3
234I41.6Very low40.5Very low149 Ų149145.5 Ų145.576%0.76480%0.803SS**  trans-158.9106.2145.4-90.7145000103.7I236I234-I236 HydrophobicContact CG2-CD1 3.94Å; I234-I236 HydrophobicContact CG2-CG1 3.69Å
235E41.7Very low40.4Very low192 Ų192149.2 Ų149.290%0.89783%0.831SS**  trans-91.9113.4172.5-169.1167-160.900106.2
236I43.5Very low40.8Very low134 Ų134145.2 Ų145.269%0.68783%0.828SS**  trans-106.4114.1172.6-63.1172.6000106.2I234 I238I234-I236 HydrophobicContact CG2-CD1 3.94Å; I234-I236 HydrophobicContact CG2-CG1 3.69Å; I236-I238 HydrophobicContact CG2-CG1 4.2Å
237D38.1Very low40.9Very low153 Ų153146.8 Ų146.882%0.81883%0.829SS**  trans-80.3122.2177.6-131.4-13.9000109.6
238I42Very low40.8Very low135 Ų135149.5 Ų149.569%0.69283%0.83SS**  trans-127115171.8-55.5176000107.9I236 V240I236-I238 HydrophobicContact CG2-CG1 4.2Å; I238-V240 PolarHBondContact O-N 3.49Å
239P41.8Very low41.1Very low119 Ų119144.5 Ų144.577%0.77383%0.827SS**PPolyproline II helixtrans-76.4126.7177.729-31.5000111
240V45.5Very low41.2Very low135 Ų135147.3 Ų147.382%0.81884%0.835SS**PPolyproline II helixtrans-86.5118.5172.2176.90000109.1I238 T242I238-V240 PolarHBondContact O-N 3.49Å; V240-T242 PolarHBondContact O-N 3.5Å
241V42.8Very low41.4Very low116 Ų116141 Ų14170%0.70383%0.83SS**PPolyproline II helixtrans-75.3117.41721800000108.9
242T45.1Very low41.5Very low130 Ų130139.3 Ų139.380%0.79883%0.827SS**  trans-80.2114.6171.648.40000110.1V240V240-T242 PolarHBondContact O-N 3.5Å
243H38.3Very low41.3Very low180 Ų180141.1 Ų141.183%0.83383%0.829SS**  trans-87.4125161.8-88.6-82.6000109.6
244A38.5Very low41.3Very low102 Ų102144.8 Ų144.884%0.84383%0.831SS**  trans-81137.617000000110.4
245S36.5Very low41.2Very low192 Ų192144.4 Ų144.4100%1.34384%0.837SS**  trans-145.40153.563.30000108.2

Retrieved 245 of 245 residues in 106.7 ms (Link to these results)