A0A5K4FEW9_SCHMA Loading...

Claudin-like protein

AlphaFold DB , UniProt , Accession A0A5K4FEW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.4Very low61.8Low211 Ų211123.5 Ų123.5100%1.03956%0.557SS**  0-34.50-136.7160.717500113.9F3 K4M1-F3 PolarHBondContact O-N 3.1Å; M1-K4 PolarHBondContact O-N 3.26Å; M1-K4 VanDerWaalsContact O-N 3.1Å
2I40.6Very low63.6Low94 Ų94117 Ų11748%0.48253%0.533SS..Hα-helixtrans-57.6-36.9-174.8-58.2164.1000114.6R6 R232I2-R6 PolarHBondContact O-N 3.18Å; I2-R232 VanDerWaalsContact CD1-NH2 3.33Å
3F37.5Very low65.1Low165 Ų165108.5 Ų108.572%0.72449%0.494SS*.Hα-helixtrans-72.3-25.6178.6-91.2-83.2000114.1M1 K7M1-F3 PolarHBondContact O-N 3.1Å; F3-K7 PolarHBondContact O-N 3.31Å
4K46.4Very low66.7Low157 Ų157105 Ų10568%0.68348%0.481SS*.Hα-helixtrans-71.3-40178.8-152.8174.6-177.5-178.30110.3M1 K7 N8M1-K4 PolarHBondContact O-N 3.26Å; M1-K4 VanDerWaalsContact O-N 3.1Å; K4-K7 PolarHBondContact O-N 3.25Å; K4-N8 PolarHBondContact O-N 3.42Å
5N61.7Low68.2Low59 Ų5999.7 Ų99.732%0.31647%0.466SS..Hα-helixtrans-67.9-38.9175-81.40.2000112.9K7 N8 I9 D230N5-K7 PolarHBondContact O-N 3.47Å; N5-N8 PolarHBondContact O-N 3.33Å; N5-I9 VanDerWaalsContact O-CG1 3.29Å; N5-I9 WeakPolarHBondContact O-CG1 3.41Å; N5-I9 PolarHBondContact O-N 3.22Å; N5-D230 PolarHBondContact ND2-OD2 3.09Å
6R63.3Low69.5Low174 Ų17493.7 Ų93.766%0.65744%0.438SS*.Hα-helixtrans-62.5-39.2176.4-78.4-168-176.4-170.61.6113.2I2 F10I2-R6 PolarHBondContact O-N 3.18Å; R6-F10 PolarHBondContact O-N 3.01Å
7K69.8Low70.7Confident138 Ų13889.5 Ų89.560%0.642%0.419SS*.Hα-helixtrans-64.6-45.3174.6-75.5-172177.6-176.30111F3 K4 N5 I9 F10 Y11F3-K7 PolarHBondContact O-N 3.31Å; K4-K7 PolarHBondContact O-N 3.25Å; N5-K7 PolarHBondContact O-N 3.47Å; K7-I9 PolarHBondContact O-N 3.47Å; K7-F10 PolarHBondContact O-N 3.25Å; K7-Y11 HydrophobicContact CB-CE2 4.38Å; K7-Y11 WeakPolarHBondContact O-CD2 3.29Å; K7-Y11 PolarHBondContact O-N 3.32Å; K7-Y11 VanDerWaalsContact O-N 3.09Å
8N74.5Confident71.9Confident87 Ų8790.1 Ų90.147%0.46543%0.425SS..Hα-helixtrans-60.3-46178.2-72.4-2.3000112.2K4 N5 F10 Y11 V12K4-N8 PolarHBondContact O-N 3.42Å; N5-N8 PolarHBondContact O-N 3.33Å; N8-F10 VanDerWaalsContact C-N 3.28Å; N8-F10 PolarHBondContact O-N 3.12Å; N8-Y11 PolarHBondContact O-N 3.06Å; N8-V12 VanDerWaalsContact O-CG2 3.29Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 3.13Å
9I77.2Confident73Confident38 Ų3887.1 Ų87.120%0.19541%0.412CS..Hα-helixtrans-59.5-40.5178-68.4164.9000111.2N5 K7 V12 E13 R225N5-I9 VanDerWaalsContact O-CG1 3.29Å; N5-I9 WeakPolarHBondContact O-CG1 3.41Å; N5-I9 PolarHBondContact O-N 3.22Å; K7-I9 PolarHBondContact O-N 3.47Å; I9-V12 PolarHBondContact O-N 2.93Å; I9-E13 WeakPolarHBondContact O-CG 3.31Å; I9-E13 PolarHBondContact O-N 3.42Å; I9-R225 VanDerWaalsContact CG2-NH2 3.32Å
10F79.4Confident73.9Confident78 Ų7882.8 Ų82.834%0.34239%0.391SS..Hα-helixtrans-63.8-45.6177.4-177.9-105.5000112.4R6 K7 N8 V12 E13 I14 M83R6-F10 PolarHBondContact O-N 3.01Å; K7-F10 PolarHBondContact O-N 3.25Å; N8-F10 VanDerWaalsContact C-N 3.28Å; N8-F10 PolarHBondContact O-N 3.12Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 3.35Å; F10-E13 PolarHBondContact O-N 3.27Å; F10-I14 HydrophobicContact CD1-CD1 3.89Å; F10-I14 HydrophobicContact CE1-CD1 3.35Å; F10-I14 HydrophobicContact CE1-CG1 4.27Å; F10-I14 HydrophobicContact CZ-CD1 3.73Å; F10-I14 HydrophobicContact CZ-CG1 4.35Å; F10-I14 PolarHBondContact O-N 3.26Å; F10-M83 HydrophobicContact CD2-SD 3.99Å; F10-M83 HydrophobicContact CE2-SD 3.41Å; F10-M83 WeakPolarHBondContact CE2-SD 3.06Å; F10-M83 HydrophobicContact CZ-SD 4.06Å
11Y83.6Confident74.7Confident158 Ų15880 Ų8062%0.6238%0.384SS*.Hα-helixtrans-62.4-39.3175.9-72.6-63.6000112.4K7 N8 I14 G15K7-Y11 HydrophobicContact CB-CE2 4.38Å; K7-Y11 WeakPolarHBondContact O-CD2 3.29Å; K7-Y11 PolarHBondContact O-N 3.32Å; K7-Y11 VanDerWaalsContact O-N 3.09Å; N8-Y11 PolarHBondContact O-N 3.06Å; Y11-I14 PolarHBondContact O-N 2.93Å; Y11-G15 PolarHBondContact O-N 3.03Å
12V84.5Confident77Confident45 Ų4573.4 Ų73.427%0.27335%0.353SS..Hα-helixtrans-62.8-43.1175.31720000111N8 I9 F10 I14 G15 I16 I221 R225N8-V12 VanDerWaalsContact O-CG2 3.29Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 3.13Å; I9-V12 PolarHBondContact O-N 2.93Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 3.35Å; V12-I14 VanDerWaalsContact C-N 3.31Å; V12-I14 PolarHBondContact O-N 3.25Å; V12-G15 PolarHBondContact O-N 3.42Å; V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 WeakPolarHBondContact O-CD1 3.29Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 3.24Å; V12-I221 HydrophobicContact CG1-CG2 3.74Å; V12-R225 HydrophobicContact CG1-CB 3.9Å; V12-R225 HydrophobicContact CG1-CG 4.01Å
13E82.8Confident79.4Confident7 Ų769 Ų693%0.03333%0.33CS..Hα-helixtrans-61.5-38.8174.9-73.2-166.9-18000112.7I9 F10 I16 I17 R82 M83 R225I9-E13 WeakPolarHBondContact O-CG 3.31Å; I9-E13 PolarHBondContact O-N 3.42Å; F10-E13 PolarHBondContact O-N 3.27Å; E13-I16 PolarHBondContact O-N 2.95Å; E13-I17 WeakPolarHBondContact O-CG1 3.44Å; E13-I17 PolarHBondContact O-N 3.23Å; E13-I17 VanDerWaalsContact O-N 3.14Å; E13-R82 IonicContact OE1-CZ 3.41Å; E13-R82 IonicContact OE1-NE 3.26Å; E13-R82 IonicContact OE1-NH2 2.8Å; E13-R82 PolarHBondContact OE1-NH2 3.17Å; E13-R82 IonicContact OE2-CZ 3.22Å; E13-R82 IonicContact OE2-NE 2.93Å; E13-R82 PolarHBondContact OE2-NE 3.11Å; E13-R82 IonicContact OE2-NH2 3.82Å; E13-R82 PolarHBondContact OE2-NH2 2.8Å; E13-M83 HydrophobicContact CB-CE 3.41Å; E13-M83 VanDerWaalsContact CB-CE 3.41Å; E13-R225 VanDerWaalsContact CD-NH1 3.29Å; E13-R225 IonicContact OE1-CZ 3.64Å; E13-R225 IonicContact OE1-NH1 3.71Å; E13-R225 PolarHBondContact OE1-NH1 3.3Å; E13-R225 IonicContact OE1-NH2 3.08Å; E13-R225 PolarHBondContact OE1-NH2 2.94Å
14I87.8Confident81.9Confident59 Ų5961.1 Ų61.130%0.30330%0.295SS..Hα-helixtrans-63.5-46.2176.1-70.9178000109.5F10 Y11 V12 I16 I17 L18 M83F10-I14 HydrophobicContact CD1-CD1 3.89Å; F10-I14 HydrophobicContact CE1-CD1 3.35Å; F10-I14 HydrophobicContact CE1-CG1 4.27Å; F10-I14 HydrophobicContact CZ-CD1 3.73Å; F10-I14 HydrophobicContact CZ-CG1 4.35Å; F10-I14 PolarHBondContact O-N 3.26Å; Y11-I14 PolarHBondContact O-N 2.93Å; V12-I14 VanDerWaalsContact C-N 3.31Å; V12-I14 PolarHBondContact O-N 3.25Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 3.39Å; I14-I17 PolarHBondContact O-N 3.24Å; I14-L18 HydrophobicContact CG2-CD1 3.65Å; I14-L18 HydrophobicContact CG2-CG 4.25Å; I14-L18 WeakPolarHBondContact O-CB 3.49Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 2.95Å; I14-M83 VanDerWaalsContact CA-CE 3.45Å; I14-M83 HydrophobicContact CB-CE 4Å; I14-M83 HydrophobicContact CG1-CE 3.28Å; I14-M83 HydrophobicContact CG1-SD 3.99Å
15G89.2Confident84.2Confident25 Ų2558.5 Ų58.526%0.25829%0.288SS..Hα-helixtrans-56.2-46.117800000112.4Y11 V12 I17 L18 L19Y11-G15 PolarHBondContact O-N 3.03Å; V12-G15 PolarHBondContact O-N 3.42Å; G15-I17 PolarHBondContact O-N 3.25Å; G15-L18 PolarHBondContact O-N 2.96Å; G15-L19 WeakPolarHBondContact O-CB 3.22Å; G15-L19 WeakPolarHBondContact O-CD1 3.48Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 3.18Å
16I88.6Confident85.7Confident4 Ų458.2 Ų58.22%0.02128%0.284CS..Hα-helixtrans-61.2-46178.5-66.2161.4000111.1V12 E13 I14 L19 S20 S218 I221 Y222V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 WeakPolarHBondContact O-CD1 3.29Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 3.24Å; E13-I16 PolarHBondContact O-N 2.95Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 3.39Å; I16-L19 PolarHBondContact O-N 3.33Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.44Å; I16-S218 WeakPolarHBondContact CG2-OG 3.42Å; I16-S218 PolarHBondContact O-OG 3.33Å; I16-I221 HydrophobicContact CD1-CG2 4.06Å; I16-I221 HydrophobicContact CG1-CB 4.18Å; I16-I221 HydrophobicContact CG1-CG2 3.66Å; I16-Y222 HydrophobicContact CD1-CD2 3.96Å; I16-Y222 HydrophobicContact CD1-CG 4.35Å; I16-Y222 HydrophobicContact CG2-CD2 4.48Å
17I89.4Confident87Confident22 Ų2250 Ų5011%0.11325%0.254CS..Hα-helixtrans-66.7-40.6-179.2-66.5167.8000111.4E13 I14 G15 S20 G21 S76 G79 M83E13-I17 WeakPolarHBondContact O-CG1 3.44Å; E13-I17 PolarHBondContact O-N 3.23Å; E13-I17 VanDerWaalsContact O-N 3.14Å; I14-I17 PolarHBondContact O-N 3.24Å; G15-I17 PolarHBondContact O-N 3.25Å; I17-S20 PolarHBondContact O-OG 3.19Å; I17-G21 PolarHBondContact O-N 3.39Å; I17-S76 PolarHBondContact O-OG 2.64Å; I17-G79 WeakPolarHBondContact CD1-O 3.45Å; I17-M83 HydrophobicContact CD1-CE 3.49Å; I17-M83 VanDerWaalsContact CD1-CE 3.49Å; I17-M83 HydrophobicContact CD1-CG 3.61Å; I17-M83 HydrophobicContact CD1-SD 4.47Å
18L92.3Very high88.1Confident101 Ų10147.6 Ų47.653%0.52925%0.247SC..Hα-helixtrans-65.2-46.9177.1-78.8170.9000111.2I14 G15 G21 I22I14-L18 HydrophobicContact CG2-CD1 3.65Å; I14-L18 HydrophobicContact CG2-CG 4.25Å; I14-L18 WeakPolarHBondContact O-CB 3.49Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 2.95Å; G15-L18 PolarHBondContact O-N 2.96Å; L18-G21 PolarHBondContact O-N 2.89Å; L18-I22 WeakPolarHBondContact O-CB 3.33Å; L18-I22 VanDerWaalsContact O-CG1 3.23Å; L18-I22 WeakPolarHBondContact O-CG1 3.23Å; L18-I22 PolarHBondContact O-N 2.86Å
19L92.7Very high88.9Confident33 Ų3346 Ų4617%0.17324%0.238CC..Hα-helixtrans-61.5-46.4178-78.3159.9000111.7G15 I16 G21 G23 F214 L217 I221G15-L19 WeakPolarHBondContact O-CB 3.22Å; G15-L19 WeakPolarHBondContact O-CD1 3.48Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 3.18Å; I16-L19 PolarHBondContact O-N 3.33Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.18Å; L19-G23 PolarHBondContact O-N 3.24Å; L19-F214 HydrophobicContact CD2-CD1 3.45Å; L19-F214 VanDerWaalsContact CD2-CD1 3.45Å; L19-F214 HydrophobicContact CD2-CE1 4.02Å; L19-F214 HydrophobicContact CD2-CG 4.42Å; L19-L217 HydrophobicContact CD2-CB 4.49Å; L19-I221 HydrophobicContact CD1-CD1 3.34Å
20S90.8Very high89.6Confident1 Ų144.2 Ų44.21%0.00723%0.228CC..Hα-helixtrans-68.3-34.8177.985.70000112.5I16 I17 G24 S76I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.44Å; I17-S20 PolarHBondContact O-OG 3.19Å; S20-G24 PolarHBondContact O-N 3.26Å; S20-S76 WeakPolarHBondContact OG-CB 3.35Å
21G90.8Very high90Very high23 Ų2342.1 Ų42.124%0.23722%0.222CC..Hα-helixtrans-68.9-47.9177.700000112.7I17 L18 L19 G24 L25 S76I17-G21 PolarHBondContact O-N 3.39Å; L18-G21 PolarHBondContact O-N 2.89Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.18Å; G21-G24 PolarHBondContact O-N 2.72Å; G21-L25 PolarHBondContact O-N 2.84Å; G21-S76 WeakPolarHBondContact CA-OG 3.32Å
22I93.7Very high90.3Very high74 Ų7438.9 Ų38.938%0.37922%0.221SC..Hα-helixtrans-64.2-42.7175.9-66.9166.7000110.1L18 L25 F26 F214L18-I22 WeakPolarHBondContact O-CB 3.33Å; L18-I22 VanDerWaalsContact O-CG1 3.23Å; L18-I22 WeakPolarHBondContact O-CG1 3.23Å; L18-I22 PolarHBondContact O-N 2.86Å; I22-L25 WeakPolarHBondContact O-CB 3.36Å; I22-L25 PolarHBondContact O-N 3.37Å; I22-F26 HydrophobicContact CG2-CD2 3.89Å; I22-F26 HydrophobicContact CG2-CE2 3.51Å; I22-F26 HydrophobicContact CG2-CZ 4.13Å; I22-F26 PolarHBondContact O-N 3.41Å; I22-F214 HydrophobicContact CG2-CD2 4.43Å; I22-F214 HydrophobicContact CG2-CE2 4.3Å
23G91.3Very high90.4Very high0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-55.4-54.5171.800000111.1L19 L25 F26 A27 S211L19-G23 PolarHBondContact O-N 3.24Å; G23-L25 VanDerWaalsContact C-N 3.27Å; G23-L25 PolarHBondContact O-N 3.2Å; G23-F26 PolarHBondContact O-N 3.34Å; G23-A27 PolarHBondContact O-N 2.98Å; G23-S211 VanDerWaalsContact C-OG 3.24Å; G23-S211 WeakPolarHBondContact O-CB 3.35Å; G23-S211 PolarHBondContact O-OG 3.05Å
24G90.6Very high90.3Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-54.4-39.9176.900000113.7S20 G21 A27 L28S20-G24 PolarHBondContact O-N 3.26Å; G21-G24 PolarHBondContact O-N 2.72Å; G24-A27 PolarHBondContact O-N 3.2Å; G24-L28 WeakPolarHBondContact O-CB 3.35Å; G24-L28 PolarHBondContact O-N 3.09Å
25L93.5Very high89.6Confident103 Ų10348.9 Ų48.954%0.53927%0.27SS..Hα-helixtrans-63.3-46.2175.2-167.587.1000111.7G21 I22 G23 L28 I29G21-L25 PolarHBondContact O-N 2.84Å; I22-L25 WeakPolarHBondContact O-CB 3.36Å; I22-L25 PolarHBondContact O-N 3.37Å; G23-L25 VanDerWaalsContact C-N 3.27Å; G23-L25 PolarHBondContact O-N 3.2Å; L25-L28 PolarHBondContact O-N 2.87Å; L25-I29 HydrophobicContact CD2-CD1 4.35Å; L25-I29 HydrophobicContact CG-CD1 4.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 2.91Å
26F93.2Very high89.3Confident53 Ų5349.5 Ų49.523%0.23227%0.27CS..Hα-helixtrans-66.4-38.3177.8-71.7-32.5000112.8I22 G23 L28 I29 S30 F207 V210 F214I22-F26 HydrophobicContact CG2-CD2 3.89Å; I22-F26 HydrophobicContact CG2-CE2 3.51Å; I22-F26 HydrophobicContact CG2-CZ 4.13Å; I22-F26 PolarHBondContact O-N 3.41Å; G23-F26 PolarHBondContact O-N 3.34Å; F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L28 PolarHBondContact O-N 3.18Å; F26-I29 HydrophobicContact CD1-CD1 4.23Å; F26-I29 PolarHBondContact O-N 3.39Å; F26-S30 VanDerWaalsContact O-CB 3.32Å; F26-S30 WeakPolarHBondContact O-CB 3.46Å; F26-S30 PolarHBondContact O-N 3.38Å; F26-F207 HydrophobicContact CB-CD1 4.09Å; F26-F207 AromaticContact CD1-CD1 3.45Å; F26-F207 HydrophobicContact CD1-CD1 3.45Å; F26-F207 VanDerWaalsContact CD1-CD1 3.45Å; F26-F207 AromaticContact CD1-CE1 3.59Å; F26-F207 HydrophobicContact CD1-CE1 3.59Å; F26-F207 HydrophobicContact CE1-CD1 4.05Å; F26-F207 AromaticContact CE1-CE1 3.71Å; F26-F207 HydrophobicContact CE1-CE1 3.71Å; F26-F207 AromaticContact CG-CD1 3.9Å; F26-F207 HydrophobicContact CG-CD1 3.9Å; F26-F207 HydrophobicContact CG-CE1 4.41Å; F26-V210 HydrophobicContact CD2-CG1 4.07Å; F26-V210 HydrophobicContact CE2-CG1 4.34Å; F26-F214 AromaticContact CD2-CD2 3.93Å; F26-F214 HydrophobicContact CD2-CD2 3.93Å; F26-F214 AromaticContact CD2-CE2 3.75Å; F26-F214 HydrophobicContact CD2-CE2 3.75Å; F26-F214 HydrophobicContact CE2-CD2 4.2Å; F26-F214 AromaticContact CE2-CE2 3.57Å; F26-F214 HydrophobicContact CE2-CE2 3.57Å; F26-F214 HydrophobicContact CE2-CZ 4.46Å
27A91.4Very high88.8Confident1 Ų149.5 Ų49.51%0.00827%0.27CS..Hα-helixtrans-59.9-43.2170.600000111.4G23 G24 S30 V31 A69 L109 S211G23-A27 PolarHBondContact O-N 2.98Å; G24-A27 PolarHBondContact O-N 3.2Å; A27-S30 WeakPolarHBondContact O-CB 3.29Å; A27-S30 PolarHBondContact O-N 2.96Å; A27-V31 VanDerWaalsContact O-CG2 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.43Å; A27-V31 PolarHBondContact O-N 3.14Å; A27-A69 HydrophobicContact CB-CB 3.8Å; A27-L109 HydrophobicContact CB-CD1 4.37Å; A27-L109 HydrophobicContact CB-CD2 3.73Å; A27-S211 WeakPolarHBondContact CB-OG 3.42Å
28L92.6Very high88.1Confident88 Ų8848.8 Ų48.846%0.46127%0.267SS..Hα-helixtrans-65.5-43.7-179.9-160.9142.5000111.7G24 L25 F26 S30 V31 C32G24-L28 WeakPolarHBondContact O-CB 3.35Å; G24-L28 PolarHBondContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 2.87Å; F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L28 PolarHBondContact O-N 3.18Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 3.48Å; L28-V31 PolarHBondContact O-N 3.46Å; L28-C32 PolarHBondContact O-N 2.68Å; L28-C32 PolarHBondContact O-SG 3.12Å
29I92.2Very high87Confident53 Ų5345.2 Ų45.227%0.27225%0.251SS..Hα-helixtrans-58.4-48172.2-68165.1000110L25 F26 V31 C32 F33 W203L25-I29 HydrophobicContact CD2-CD1 4.35Å; L25-I29 HydrophobicContact CG-CD1 4.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 2.91Å; F26-I29 HydrophobicContact CD1-CD1 4.23Å; F26-I29 PolarHBondContact O-N 3.39Å; I29-V31 VanDerWaalsContact C-N 3.31Å; I29-V31 PolarHBondContact O-N 3.02Å; I29-C32 PolarHBondContact O-N 2.79Å; I29-F33 HydrophobicContact CG2-CD2 4.07Å; I29-F33 HydrophobicContact CG2-CE2 4.39Å; I29-F33 VanDerWaalsContact O-CD2 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.4Å; I29-F33 PolarHBondContact O-N 2.9Å; I29-W203 HydrophobicContact CG2-CH2 4.48Å; I29-W203 HydrophobicContact CG2-CZ3 4.22Å
30S90.4Very high85.6Confident0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-57.7-43.1179.1-178.70000112.5F26 A27 L28 F33 R34 W37 A204 C208F26-S30 VanDerWaalsContact O-CB 3.32Å; F26-S30 WeakPolarHBondContact O-CB 3.46Å; F26-S30 PolarHBondContact O-N 3.38Å; A27-S30 WeakPolarHBondContact O-CB 3.29Å; A27-S30 PolarHBondContact O-N 2.96Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 3.48Å; S30-F33 CarbonylContact O-C 3.43Å; S30-F33 VanDerWaalsContact O-C 3.29Å; S30-F33 PolarHBondContact O-N 2.73Å; S30-R34 PolarHBondContact O-N 3.47Å; S30-W37 PolarHBondContact O-NE1 2.91Å; S30-W37 WeakPolarHBondContact OG-CZ2 3.46Å; S30-W37 PolarHBondContact OG-NE1 3.25Å; S30-A204 WeakPolarHBondContact CB-O 3.27Å; S30-A204 PolarHBondContact OG-O 3.49Å; S30-C208 WeakPolarHBondContact OG-CB 3.47Å
31V88.3Confident84.1Confident35 Ų3562 Ų6221%0.21232%0.318CS..Hα-helixtrans-66.3-44177168.50000111.6A27 L28 I29 F33 R34 A65 I66A27-V31 VanDerWaalsContact O-CG2 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.43Å; A27-V31 PolarHBondContact O-N 3.14Å; L28-V31 PolarHBondContact O-N 3.46Å; I29-V31 VanDerWaalsContact C-N 3.31Å; I29-V31 PolarHBondContact O-N 3.02Å; V31-F33 PolarHBondContact O-N 3.27Å; V31-R34 WeakPolarHBondContact O-CB 3.34Å; V31-R34 PolarHBondContact O-N 3.45Å; V31-R34 VanDerWaalsContact O-N 3.13Å; V31-A65 HydrophobicContact CG2-CB 3.58Å; V31-I66 HydrophobicContact CG1-CD1 4.25Å; V31-I66 HydrophobicContact CG1-CG1 3.52Å; V31-I66 HydrophobicContact CG2-CG1 4.2Å
32C89.9Confident82.5Confident89 Ų8962.4 Ų62.460%0.60131%0.313SS*.Hα-helixtrans-58.2-36.8177-72.50000111.8L28 I29L28-C32 PolarHBondContact O-N 2.68Å; L28-C32 PolarHBondContact O-SG 3.12Å; I29-C32 PolarHBondContact O-N 2.79Å
33F87.1Confident81Confident106 Ų10663 Ų6347%0.46531%0.313SS..THydrogen-bonded Turntrans-101.636.9177.9-64.4-83.6000112.6I29 S30 V31 G35 S36 W203 A204I29-F33 HydrophobicContact CG2-CD2 4.07Å; I29-F33 HydrophobicContact CG2-CE2 4.39Å; I29-F33 VanDerWaalsContact O-CD2 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.4Å; I29-F33 PolarHBondContact O-N 2.9Å; S30-F33 CarbonylContact O-C 3.43Å; S30-F33 VanDerWaalsContact O-C 3.29Å; S30-F33 PolarHBondContact O-N 2.73Å; V31-F33 PolarHBondContact O-N 3.27Å; F33-G35 PolarHBondContact O-N 2.94Å; F33-S36 WeakPolarHBondContact O-CA 3.49Å; F33-S36 WeakPolarHBondContact O-CB 3.44Å; F33-S36 PolarHBondContact O-N 3.4Å; F33-W203 HydrophobicContact CB-CH2 3.58Å; F33-W203 HydrophobicContact CB-CZ2 3.63Å; F33-W203 HydrophobicContact CD1-CH2 4.06Å; F33-W203 AromaticContact CD1-CZ2 3.86Å; F33-W203 HydrophobicContact CD1-CZ2 3.86Å; F33-W203 AromaticContact CD2-CH2 3.56Å; F33-W203 HydrophobicContact CD2-CH2 3.56Å; F33-W203 HydrophobicContact CD2-CZ2 4.2Å; F33-W203 HydrophobicContact CE2-CH2 4.23Å; F33-W203 AromaticContact CG-CH2 3.46Å; F33-W203 HydrophobicContact CG-CH2 3.46Å; F33-W203 VanDerWaalsContact CG-CH2 3.46Å; F33-W203 AromaticContact CG-CZ2 3.64Å; F33-W203 HydrophobicContact CG-CZ2 3.64Å; F33-A204 HydrophobicContact CB-CB 4.16Å; F33-A204 WeakPolarHBondContact O-CB 3.49Å
34R80.2Confident79.5Confident161 Ų16168.9 Ų68.961%0.60834%0.344SS*.G310 helixtrans-50.8-34.5178.566.3177.7-177.2176.80.1114.2S30 V31 S36 W37S30-R34 PolarHBondContact O-N 3.47Å; V31-R34 WeakPolarHBondContact O-CB 3.34Å; V31-R34 PolarHBondContact O-N 3.45Å; V31-R34 VanDerWaalsContact O-N 3.13Å; R34-S36 PolarHBondContact O-N 3.31Å; R34-S36 VanDerWaalsContact O-N 3.15Å; R34-W37 VanDerWaalsContact CA-CD1 3.44Å; R34-W37 WeakPolarHBondContact O-CB 3.44Å; R34-W37 VanDerWaalsContact O-CD1 3.31Å; R34-W37 PolarHBondContact O-N 3.33Å
35G73.6Confident77.8Confident54 Ų5472.5 Ų72.556%0.55736%0.361SS*.G310 helixtrans-66.9-11.8177.300000114.4F33F33-G35 PolarHBondContact O-N 2.94Å
36S82.4Confident76.1Confident38 Ų3868.9 Ų68.927%0.26634%0.342SS..G310 helixtrans-104.212.4177.2-58.50000113.5F33 R34 V38 G202 W203F33-S36 WeakPolarHBondContact O-CA 3.49Å; F33-S36 WeakPolarHBondContact O-CB 3.44Å; F33-S36 PolarHBondContact O-N 3.4Å; R34-S36 PolarHBondContact O-N 3.31Å; R34-S36 VanDerWaalsContact O-N 3.15Å; S36-V38 VanDerWaalsContact C-N 3.32Å; S36-G202 CarbonylContact O-C 3.29Å; S36-G202 VanDerWaalsContact O-CA 3.28Å; S36-G202 WeakPolarHBondContact O-CA 3.35Å; S36-W203 VanDerWaalsContact CB-NE1 3.32Å
37W79.3Confident74.2Confident4 Ų472.8 Ų72.82%0.01536%0.361CS..SBendtrans-71.5-31.9173-80.551.9000112.1S30 R34 A65 S112 W116 G202 A204 Y205 C208S30-W37 PolarHBondContact O-NE1 2.91Å; S30-W37 WeakPolarHBondContact OG-CZ2 3.46Å; S30-W37 PolarHBondContact OG-NE1 3.25Å; R34-W37 VanDerWaalsContact CA-CD1 3.44Å; R34-W37 WeakPolarHBondContact O-CB 3.44Å; R34-W37 VanDerWaalsContact O-CD1 3.31Å; R34-W37 PolarHBondContact O-N 3.33Å; W37-A65 HydrophobicContact CH2-CB 4.4Å; W37-A65 HydrophobicContact CZ2-CB 4.31Å; W37-S112 WeakPolarHBondContact CH2-OG 3.35Å; W37-W116 HydrophobicContact CB-CD2 4.43Å; W37-W116 HydrophobicContact CB-CH2 4.19Å; W37-W116 HydrophobicContact CB-CZ2 4Å; W37-W116 HydrophobicContact CD2-CD2 4.43Å; W37-W116 HydrophobicContact CD2-CG 4.46Å; W37-W116 AromaticContact CD2-NE1 3.82Å; W37-W116 HydrophobicContact CE3-CB 4.05Å; W37-W116 AromaticContact CE3-CD1 3.1Å; W37-W116 AromaticContact CE3-CD2 3.6Å; W37-W116 HydrophobicContact CE3-CD2 3.6Å; W37-W116 AromaticContact CE3-CE2 3.5Å; W37-W116 AromaticContact CE3-CG 3.29Å; W37-W116 HydrophobicContact CE3-CG 3.29Å; W37-W116 HydrophobicContact CE3-CZ2 4.4Å; W37-W116 AromaticContact CE3-NE1 3.15Å; W37-W116 HydrophobicContact CG-CZ2 4.43Å; W37-W116 AromaticContact CH2-CD1 3.94Å; W37-W116 HydrophobicContact CZ3-CB 4.03Å; W37-W116 AromaticContact CZ3-CD1 2.96Å; W37-W116 HydrophobicContact CZ3-CD2 4.24Å; W37-W116 AromaticContact CZ3-CG 3.48Å; W37-W116 HydrophobicContact CZ3-CG 3.48Å; W37-W116 VanDerWaalsContact CZ3-CG 3.48Å; W37-W116 AromaticContact CZ3-NE1 3.38Å; W37-G202 WeakPolarHBondContact O-CA 3.49Å; W37-G202 PolarHBondContact O-N 3.26Å; W37-A204 VanDerWaalsContact CD1-CB 3.47Å; W37-A204 HydrophobicContact CG-CB 4.36Å; W37-Y205 AromaticContact CE3-CD2 3.69Å; W37-Y205 HydrophobicContact CE3-CD2 3.69Å; W37-Y205 HydrophobicContact CE3-CG 4.32Å; W37-Y205 AromaticContact CZ3-CD2 3.78Å; W37-Y205 HydrophobicContact CZ3-CD2 3.78Å; W37-C208 HydrophobicContact CH2-CB 3.46Å; W37-C208 VanDerWaalsContact CH2-CB 3.46Å; W37-C208 VanDerWaalsContact CH2-SG 3.55Å; W37-C208 HydrophobicContact CZ2-CB 3.65Å; W37-C208 HydrophobicContact CZ3-CB 4.26Å
38V73.5Confident72.2Confident8 Ų880.5 Ų80.55%0.04840%0.399CS..SBendtrans-99.3139172.4-1740000108S36 Y42 F43 I46 W116S36-V38 VanDerWaalsContact C-N 3.32Å; V38-Y42 HydrophobicContact CG1-CG 4.47Å; V38-F43 HydrophobicContact CB-CD2 4.21Å; V38-I46 HydrophobicContact CG1-CD1 3.94Å; V38-W116 HydrophobicContact CG2-CE3 4.22Å; V38-W116 HydrophobicContact CG2-CH2 3.55Å; V38-W116 HydrophobicContact CG2-CZ3 3.19Å
39S70.3Confident70.4Confident26 Ų2679 Ų7918%0.18239%0.39CS..  trans-60.7144.3173.872.80000110.1E41 Y42 F43S39-E41 PolarHBondContact O-N 3.29Å; S39-Y42 WeakPolarHBondContact O-CB 3.25Å; S39-Y42 PolarHBondContact O-N 3.36Å; S39-F43 PolarHBondContact O-N 3.33Å
40R62.3Low68.6Low222 Ų22288.2 Ų88.284%0.83842%0.421SS*.Hα-helixtrans-53.6-40.9-179.8-94.7-177.3176178.7-1.7112.4Y42 F43 D44R40-Y42 PolarHBondContact O-N 2.87Å; R40-F43 PolarHBondContact O-N 3.01Å; R40-F43 VanDerWaalsContact O-N 3.14Å; R40-D44 PolarHBondContact O-N 3.2Å
41E58.4Low67.2Low163 Ų16391.7 Ų91.776%0.76244%0.439SS*.Hα-helixtrans-58.5-35.1178.5-66.7167.7-17900112.3S39S39-E41 PolarHBondContact O-N 3.29Å
42Y59.1Low66Low32 Ų32100.2 Ų100.213%0.12547%0.467CS..Hα-helixtrans-81.4-34.3176.9-120.6-91.9000112.7V38 S39 R40 D44 Q45 I46 L123 Y199V38-Y42 HydrophobicContact CG1-CG 4.47Å; S39-Y42 WeakPolarHBondContact O-CB 3.25Å; S39-Y42 PolarHBondContact O-N 3.36Å; R40-Y42 PolarHBondContact O-N 2.87Å; Y42-D44 VanDerWaalsContact C-N 3.28Å; Y42-D44 PolarHBondContact O-N 3Å; Y42-Q45 PolarHBondContact O-N 2.79Å; Y42-Q45 VanDerWaalsContact O-N 3.16Å; Y42-I46 HydrophobicContact CD1-CD1 4.08Å; Y42-I46 HydrophobicContact CD1-CG1 4.32Å; Y42-I46 WeakPolarHBondContact O-CD1 3.26Å; Y42-I46 VanDerWaalsContact O-CG1 3.28Å; Y42-I46 WeakPolarHBondContact O-CG1 3.49Å; Y42-I46 PolarHBondContact O-N 3.38Å; Y42-L123 HydrophobicContact CD1-CD2 3.84Å; Y42-L123 HydrophobicContact CE1-CD2 3.68Å; Y42-Y199 HydrophobicContact CE2-CD1 4.24Å; Y42-Y199 WeakPolarHBondContact OH-CE1 3.49Å
43F61Low64.9Low87 Ų87100.7 Ų100.738%0.38246%0.464SS..Hα-helixtrans-62.9-37.4-179.4-153.2-98.2000111.8V38 S39 R40 Q45 I46 H47V38-F43 HydrophobicContact CB-CD2 4.21Å; S39-F43 PolarHBondContact O-N 3.33Å; R40-F43 PolarHBondContact O-N 3.01Å; R40-F43 VanDerWaalsContact O-N 3.14Å; F43-Q45 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 2.88Å; F43-I46 PolarHBondContact O-N 2.89Å; F43-H47 AromaticContact CD1-CD2 3.49Å; F43-H47 VanDerWaalsContact CD1-CD2 3.49Å; F43-H47 WeakPolarHBondContact CD1-CD2 3.46Å; F43-H47 AromaticContact CD1-NE2 3.89Å; F43-H47 AromaticContact CE1-CD2 3.31Å; F43-H47 WeakPolarHBondContact CE1-CD2 3.39Å; F43-H47 AromaticContact CE1-NE2 3.2Å; F43-H47 WeakPolarHBondContact CE1-NE2 3.42Å; F43-H47 AromaticContact CZ-NE2 3.94Å; F43-H47 PolarHBondContact O-N 3.26Å
44D59.5Low63.9Low123 Ų12396.5 Ų96.566%0.65845%0.446SS*.Hα-helixtrans-65.9-33.5175.2-75.6-18.2000112.6R40 Y42R40-D44 PolarHBondContact O-N 3.2Å; Y42-D44 VanDerWaalsContact C-N 3.28Å; Y42-D44 PolarHBondContact O-N 3Å
45Q55.2Low63.4Low76 Ų7694.9 Ų94.936%0.35545%0.449SS..Hα-helixtrans-75-37.9174.5-73.6-172.6-17.100112.7Y42 F43 M48 L127 Y195Y42-Q45 PolarHBondContact O-N 2.79Å; Y42-Q45 VanDerWaalsContact O-N 3.16Å; F43-Q45 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 2.88Å; Q45-M48 PolarHBondContact O-N 3.5Å; Q45-L127 HydrophobicContact CB-CD2 4.44Å; Q45-Y195 PolarHBondContact NE2-OH 3.46Å; Q45-Y195 VanDerWaalsContact NE2-OH 3.09Å
46I57.5Low63.4Low27 Ų2796 Ų9614%0.13845%0.445CS..Hα-helixtrans-67.9-36.3178.8-65.1160.8000111.4V38 Y42 F43 M48 H49 L123V38-I46 HydrophobicContact CG1-CD1 3.94Å; Y42-I46 HydrophobicContact CD1-CD1 4.08Å; Y42-I46 HydrophobicContact CD1-CG1 4.32Å; Y42-I46 WeakPolarHBondContact O-CD1 3.26Å; Y42-I46 VanDerWaalsContact O-CG1 3.28Å; Y42-I46 WeakPolarHBondContact O-CG1 3.49Å; Y42-I46 PolarHBondContact O-N 3.38Å; F43-I46 PolarHBondContact O-N 2.89Å; I46-M48 PolarHBondContact O-N 3.37Å; I46-H49 PolarHBondContact O-N 2.94Å; I46-L123 HydrophobicContact CD1-CD2 3.42Å; I46-L123 VanDerWaalsContact CD1-CD2 3.42Å; I46-L123 HydrophobicContact CG1-CD2 3.49Å; I46-L123 VanDerWaalsContact CG1-CD2 3.49Å
47H54.6Low63.1Low136 Ų13697.7 Ų97.763%0.6345%0.447SS*.THydrogen-bonded Turntrans-58.9-22.5-178.6-109.6-71000113.7F43F43-H47 AromaticContact CD1-CD2 3.49Å; F43-H47 VanDerWaalsContact CD1-CD2 3.49Å; F43-H47 WeakPolarHBondContact CD1-CD2 3.46Å; F43-H47 AromaticContact CD1-NE2 3.89Å; F43-H47 AromaticContact CE1-CD2 3.31Å; F43-H47 WeakPolarHBondContact CE1-CD2 3.39Å; F43-H47 AromaticContact CE1-NE2 3.2Å; F43-H47 WeakPolarHBondContact CE1-NE2 3.42Å; F43-H47 AromaticContact CZ-NE2 3.94Å; F43-H47 PolarHBondContact O-N 3.26Å
48M49.6Very low62.9Low163 Ų16399.6 Ų99.680%0.80346%0.461SS*.THydrogen-bonded Turntrans-75.4-22.9174.1-77.2-87.5-176.800113.9Q45 I46Q45-M48 PolarHBondContact O-N 3.5Å; I46-M48 PolarHBondContact O-N 3.37Å
49H54.4Low63.3Low57 Ų57104.4 Ų104.426%0.26448%0.483SS..SBendtrans-12463-171.4-88.21000112.5I46 N51 T130I46-H49 PolarHBondContact O-N 2.94Å; H49-N51 PolarHBondContact O-N 2.92Å; H49-T130 PolarHBondContact CD2-OG1 2.97Å; H49-T130 PolarHBondContact NE2-OG1 3.42Å
50R54.5Low64.1Low246 Ų246106.7 Ų106.793%0.92850%0.496SS*.  trans-55.168.4178.7-155.9-178.1-157.7166.95.4113.6
51N59.7Low65.2Low72 Ų7296.1 Ų96.139%0.38546%0.456SS..  trans-86.4126.2176-151.21.4000109H49 D53 H54 E126H49-N51 PolarHBondContact O-N 2.92Å; N51-D53 PolarHBondContact O-N 3.29Å; N51-H54 PolarHBondContact O-N 2.92Å; N51-E126 PolarHBondContact ND2-OE2 3.35Å
52R63.2Low66.5Low214 Ų21489 Ų8981%0.80842%0.424SS*.Hα-helixtrans-60.7-32.7-174.2-80.6-177178.3159.7-0.5112.7H54 L55 T56R52-H54 VanDerWaalsContact C-N 3.28Å; R52-H54 PolarHBondContact O-N 3.41Å; R52-L55 WeakPolarHBondContact O-CB 3.24Å; R52-L55 PolarHBondContact O-N 3.21Å; R52-T56 PolarHBondContact O-N 3.22Å
53D67.5Low68.1Low99 Ų9994.2 Ų94.253%0.52944%0.443SS..Hα-helixtrans-68.1-27.6-178.1-63.2-19.4000112.8N51 T56 K57N51-D53 PolarHBondContact O-N 3.29Å; D53-T56 PolarHBondContact O-OG1 3.16Å; D53-K57 WeakPolarHBondContact O-CG 3.49Å; D53-K57 PolarHBondContact O-N 3.48Å
54H66.4Low69.5Low19 Ų1992.2 Ų92.29%0.08844%0.436CS..Hα-helixtrans-73-35.1175.7-70.3-39.8000111.9N51 R52 C58 Y119 E126N51-H54 PolarHBondContact O-N 2.92Å; R52-H54 VanDerWaalsContact C-N 3.28Å; R52-H54 PolarHBondContact O-N 3.41Å; H54-C58 WeakPolarHBondContact O-CB 3.26Å; H54-C58 PolarHBondContact O-N 3.31Å; H54-C58 VanDerWaalsContact O-N 3.09Å; H54-Y119 HydrophobicContact CB-CE2 3.79Å; H54-Y119 AromaticContact CG-CE2 3.74Å; H54-Y119 AromaticContact ND1-CD2 3.89Å; H54-Y119 AromaticContact ND1-CE2 3.34Å; H54-Y119 VanDerWaalsContact ND1-CE2 3.34Å; H54-Y119 WeakPolarHBondContact ND1-CE2 3.34Å; H54-E126 IonicContact CD2-OE2 3.12Å; H54-E126 IonicContact CE1-OE1 3.4Å; H54-E126 IonicContact CE1-OE2 2.73Å; H54-E126 PolarHBondContact CE1-OE2 2.99Å; H54-E126 VanDerWaalsContact CE1-OE2 3.22Å; H54-E126 IonicContact NE2-OE2 2.9Å; H54-E126 PolarHBondContact NE2-OE2 3.03Å
55L68.6Low71Confident127 Ų12786.4 Ų86.467%0.66541%0.405SS*.Hα-helixtrans-65.6-42.1177.8-164.973000110.9R52 C58 E59R52-L55 WeakPolarHBondContact O-CB 3.24Å; R52-L55 PolarHBondContact O-N 3.21Å; L55-C58 WeakPolarHBondContact O-CB 3.34Å; L55-C58 PolarHBondContact O-N 3.26Å; L55-E59 PolarHBondContact O-N 2.88Å
56T74.1Confident72.8Confident77 Ų7785.2 Ų85.247%0.47240%0.401SS..Hα-helixtrans-69-39.9-18055.70000112.5R52 D53 C58 E59 T60R52-T56 PolarHBondContact O-N 3.22Å; D53-T56 PolarHBondContact O-OG1 3.16Å; T56-C58 VanDerWaalsContact C-N 3.34Å; T56-C58 PolarHBondContact O-N 2.92Å; T56-E59 PolarHBondContact O-N 2.93Å; T56-T60 WeakPolarHBondContact O-CG2 3.49Å; T56-T60 PolarHBondContact O-N 2.76Å; T56-T60 PolarHBondContact O-OG1 2.95Å
57K75.9Confident74.5Confident74 Ų7488 Ų8832%0.32242%0.415SS..Hα-helixtrans-63.1-38.3173.4-71.3179-178.1-177.80112.8D53 T60 S61D53-K57 WeakPolarHBondContact O-CG 3.49Å; D53-K57 PolarHBondContact O-N 3.48Å; K57-T60 WeakPolarHBondContact CA-OG1 3.36Å; K57-T60 PolarHBondContact O-OG1 2.91Å; K57-T60 VanDerWaalsContact O-OG1 3.06Å; K57-S61 PolarHBondContact O-N 3.49Å; K57-S61 PolarHBondContact O-OG 3.44Å
58C76.1Confident76.3Confident44 Ų4481.6 Ų81.630%0.29739%0.385SS..Hα-helixtrans-64.2-43.4174.5-179.90000111.1H54 L55 T56 S61 C62H54-C58 WeakPolarHBondContact O-CB 3.26Å; H54-C58 PolarHBondContact O-N 3.31Å; H54-C58 VanDerWaalsContact O-N 3.09Å; L55-C58 WeakPolarHBondContact O-CB 3.34Å; L55-C58 PolarHBondContact O-N 3.26Å; T56-C58 VanDerWaalsContact C-N 3.34Å; T56-C58 PolarHBondContact O-N 2.92Å; C58-S61 PolarHBondContact O-OG 2.86Å; C58-C62 PolarHBondContact O-N 2.77Å; C58-C62 VanDerWaalsContact O-N 3.09Å; C58-C62 PolarHBondContact O-SG 3.29Å
59E82.1Confident78.3Confident109 Ų10974.1 Ų74.151%0.50935%0.35SS..Hα-helixtrans-66.8-45.6179.9-170.8170.4-174.800112.1L55 T56 S61 C62 W63L55-E59 PolarHBondContact O-N 2.88Å; T56-E59 PolarHBondContact O-N 2.93Å; E59-S61 PolarHBondContact O-N 3.5Å; E59-C62 WeakPolarHBondContact O-CB 3.36Å; E59-C62 PolarHBondContact O-N 3.32Å; E59-W63 PolarHBondContact O-N 2.91Å
60T85.8Confident80.2Confident73 Ų7376.1 Ų76.145%0.44836%0.361SS..Hα-helixtrans-62.6-41.8179.452.80000112.6T56 K57 W63 L64T56-T60 WeakPolarHBondContact O-CG2 3.49Å; T56-T60 PolarHBondContact O-N 2.76Å; T56-T60 PolarHBondContact O-OG1 2.95Å; K57-T60 WeakPolarHBondContact CA-OG1 3.36Å; K57-T60 PolarHBondContact O-OG1 2.91Å; K57-T60 VanDerWaalsContact O-OG1 3.06Å; T60-W63 PolarHBondContact O-N 3.01Å; T60-L64 WeakPolarHBondContact O-CG 3.35Å; T60-L64 PolarHBondContact O-N 2.92Å
61S86.2Confident82Confident1 Ų165.3 Ų65.31%0.00732%0.323CS..Hα-helixtrans-65.7-40.217658.90000112.2K57 C58 E59 W63 L64 A65 S112 W116K57-S61 PolarHBondContact O-N 3.49Å; K57-S61 PolarHBondContact O-OG 3.44Å; C58-S61 PolarHBondContact O-OG 2.86Å; E59-S61 PolarHBondContact O-N 3.5Å; S61-W63 VanDerWaalsContact C-N 3.33Å; S61-W63 PolarHBondContact O-N 3.18Å; S61-L64 PolarHBondContact O-N 3.24Å; S61-A65 PolarHBondContact O-N 3.27Å; S61-S112 PolarHBondContact O-OG 3.23Å; S61-S112 VanDerWaalsContact O-OG 3.09Å; S61-W116 PolarHBondContact OG-NE1 3.47Å
62C86.8Confident83.6Confident12 Ų1261.9 Ų61.98%0.08131%0.305CS..Hα-helixtrans-59-44.6173.4-72.10000111.8C58 E59 L64 A65 I66C58-C62 PolarHBondContact O-N 2.77Å; C58-C62 VanDerWaalsContact O-N 3.09Å; C58-C62 PolarHBondContact O-SG 3.29Å; E59-C62 WeakPolarHBondContact O-CB 3.36Å; E59-C62 PolarHBondContact O-N 3.32Å; C62-L64 PolarHBondContact O-N 3.4Å; C62-A65 PolarHBondContact O-N 3.04Å; C62-I66 WeakPolarHBondContact O-CD1 3.26Å; C62-I66 VanDerWaalsContact O-CG1 3.24Å; C62-I66 WeakPolarHBondContact O-CG1 3.18Å; C62-I66 PolarHBondContact O-N 2.88Å
63W90.7Very high84.9Confident143 Ų14354.9 Ų54.954%0.54229%0.286SS..Hα-helixtrans-62.4-41.6176.7-77.9114.6000112.2E59 T60 S61 I66 I67E59-W63 PolarHBondContact O-N 2.91Å; T60-W63 PolarHBondContact O-N 3.01Å; S61-W63 VanDerWaalsContact C-N 3.33Å; S61-W63 PolarHBondContact O-N 3.18Å; W63-I66 HydrophobicContact CE3-CD1 4.41Å; W63-I66 PolarHBondContact O-N 3.42Å; W63-I67 WeakPolarHBondContact O-CB 2.94Å; W63-I67 VanDerWaalsContact O-CG1 3.25Å; W63-I67 WeakPolarHBondContact O-CG1 3.42Å; W63-I67 PolarHBondContact O-N 3.48Å
64L91.6Very high86.1Confident45 Ų4552.8 Ų52.824%0.23628%0.277CS..Hα-helixtrans-61.7-45.9174.2-72.5166000111.6T60 S61 C62 I66 I67 G68 S108 S111T60-L64 WeakPolarHBondContact O-CG 3.35Å; T60-L64 PolarHBondContact O-N 2.92Å; S61-L64 PolarHBondContact O-N 3.24Å; C62-L64 PolarHBondContact O-N 3.4Å; L64-I66 VanDerWaalsContact C-N 3.31Å; L64-I66 PolarHBondContact O-N 3.46Å; L64-I67 PolarHBondContact O-N 3.36Å; L64-G68 PolarHBondContact O-N 3.5Å; L64-S108 PolarHBondContact O-OG 2.93Å; L64-S111 WeakPolarHBondContact CD1-OG 3.41Å
65A90.7Very high87.2Confident1 Ų152 Ų521%0.00827%0.273CS..Hα-helixtrans-60.6-40.9176.500000112.2V31 W37 S61 C62 G68 A69V31-A65 HydrophobicContact CG2-CB 3.58Å; W37-A65 HydrophobicContact CH2-CB 4.4Å; W37-A65 HydrophobicContact CZ2-CB 4.31Å; S61-A65 PolarHBondContact O-N 3.27Å; C62-A65 PolarHBondContact O-N 3.04Å; A65-G68 PolarHBondContact O-N 3.33Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 3.42Å
66I92.3Very high88.2Confident51 Ų5146.9 Ų46.926%0.26225%0.248SC..Hα-helixtrans-63.8-50.6177.2-69.9161.4000111.1V31 C62 W63 L64 G68 A69 I70V31-I66 HydrophobicContact CG1-CD1 4.25Å; V31-I66 HydrophobicContact CG1-CG1 3.52Å; V31-I66 HydrophobicContact CG2-CG1 4.2Å; C62-I66 WeakPolarHBondContact O-CD1 3.26Å; C62-I66 VanDerWaalsContact O-CG1 3.24Å; C62-I66 WeakPolarHBondContact O-CG1 3.18Å; C62-I66 PolarHBondContact O-N 2.88Å; W63-I66 HydrophobicContact CE3-CD1 4.41Å; W63-I66 PolarHBondContact O-N 3.42Å; L64-I66 VanDerWaalsContact C-N 3.31Å; L64-I66 PolarHBondContact O-N 3.46Å; I66-G68 VanDerWaalsContact C-N 3.29Å; I66-G68 PolarHBondContact O-N 2.87Å; I66-A69 PolarHBondContact O-N 3.28Å; I66-I70 HydrophobicContact CG2-CD1 3.76Å; I66-I70 HydrophobicContact CG2-CG1 4.48Å; I66-I70 VanDerWaalsContact O-CG1 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.37Å; I66-I70 PolarHBondContact O-N 3.16Å
67I94.2Very high89Confident86 Ų8649.4 Ų49.444%0.44125%0.253SS..Hα-helixtrans-59.5-45.5178.6-68.2166000109.5W63 L64 A69 I70 C71W63-I67 WeakPolarHBondContact O-CB 2.94Å; W63-I67 VanDerWaalsContact O-CG1 3.25Å; W63-I67 WeakPolarHBondContact O-CG1 3.42Å; W63-I67 PolarHBondContact O-N 3.48Å; L64-I67 PolarHBondContact O-N 3.36Å; I67-A69 PolarHBondContact O-N 2.9Å; I67-I70 PolarHBondContact O-N 3Å; I67-C71 WeakPolarHBondContact O-CB 3.3Å; I67-C71 PolarHBondContact O-N 3.38Å; I67-C71 PolarHBondContact O-SG 2.91Å
68G91.6Very high89.5Confident0 Ų047.6 Ų47.60%025%0.246CC..Hα-helixtrans-57.9-45.8176.100000113.3L64 A65 I66 C71 C72 S108L64-G68 PolarHBondContact O-N 3.5Å; A65-G68 PolarHBondContact O-N 3.33Å; I66-G68 VanDerWaalsContact C-N 3.29Å; I66-G68 PolarHBondContact O-N 2.87Å; G68-C71 PolarHBondContact O-N 3.17Å; G68-C72 PolarHBondContact O-N 3.05Å; G68-C72 PolarHBondContact O-SG 3.28Å; G68-S108 PolarHBondContact N-OG 2.96Å
69A92.1Very high90Very high6 Ų645.5 Ų45.55%0.0523%0.232CC..Hα-helixtrans-61.9-47176.700000111.6A27 A65 I66 I67 C71 C72 V73A27-A69 HydrophobicContact CB-CB 3.8Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 3.42Å; I66-A69 PolarHBondContact O-N 3.28Å; I67-A69 PolarHBondContact O-N 2.9Å; A69-C71 PolarHBondContact O-N 2.86Å; A69-C72 PolarHBondContact O-N 2.96Å; A69-V73 WeakPolarHBondContact O-CG2 3.38Å; A69-V73 PolarHBondContact O-N 3.26Å
70I94.1Very high90.2Very high99 Ų9942.2 Ų42.251%0.50822%0.224SC..Hα-helixtrans-60.4-46.4178.3-67.4167000110.3I66 I67 C72 V73 T74I66-I70 HydrophobicContact CG2-CD1 3.76Å; I66-I70 HydrophobicContact CG2-CG1 4.48Å; I66-I70 VanDerWaalsContact O-CG1 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.37Å; I66-I70 PolarHBondContact O-N 3.16Å; I67-I70 PolarHBondContact O-N 3Å; I70-C72 VanDerWaalsContact C-N 3.34Å; I70-C72 PolarHBondContact O-N 2.89Å; I70-V73 PolarHBondContact O-N 3.22Å; I70-T74 HydrophobicContact CG2-CG2 4.27Å; I70-T74 WeakPolarHBondContact O-CB 3.34Å; I70-T74 WeakPolarHBondContact O-CG2 3.38Å; I70-T74 PolarHBondContact O-N 2.9Å; I70-T74 PolarHBondContact O-OG1 3.31Å
71C93.5Very high90.2Very high19 Ų1941.6 Ų41.613%0.12822%0.217CC..Hα-helixtrans-59-42.1176.2-80.60000112.5I67 G68 A69 T74 S75 N101I67-C71 WeakPolarHBondContact O-CB 3.3Å; I67-C71 PolarHBondContact O-N 3.38Å; I67-C71 PolarHBondContact O-SG 2.91Å; G68-C71 PolarHBondContact O-N 3.17Å; A69-C71 PolarHBondContact O-N 2.86Å; C71-T74 WeakPolarHBondContact CA-OG1 3.44Å; C71-T74 PolarHBondContact O-OG1 3.45Å; C71-T74 VanDerWaalsContact O-OG1 3.11Å; C71-S75 VanDerWaalsContact O-CB 3.24Å; C71-S75 WeakPolarHBondContact O-CB 3.4Å; C71-S75 PolarHBondContact O-N 3.47Å; C71-N101 WeakPolarHBondContact CA-OD1 3.38Å; C71-N101 WeakPolarHBondContact CB-O 3.48Å; C71-N101 WeakPolarHBondContact CB-OD1 3.39Å; C71-N101 PolarHBondContact O-ND2 3.02Å; C71-N101 PolarHBondContact SG-OD1 3.2Å
72C91.5Very high89.9Confident0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-66-46.8177.5-67.50000112G68 A69 I70 S75 S76 S215G68-C72 PolarHBondContact O-N 3.05Å; G68-C72 PolarHBondContact O-SG 3.28Å; A69-C72 PolarHBondContact O-N 2.96Å; I70-C72 VanDerWaalsContact C-N 3.34Å; I70-C72 PolarHBondContact O-N 2.89Å; C72-S75 PolarHBondContact O-N 2.94Å; C72-S76 PolarHBondContact O-N 3.46Å; C72-S215 PolarHBondContact SG-OG 3.37Å; C72-S215 VanDerWaalsContact SG-OG 3.37Å
73V91.3Very high89.5Confident67 Ų6743 Ų4341%0.40622%0.223SC..Hα-helixtrans-63.2-45.8179172.60000111A69 I70 S75 S76 F77A69-V73 WeakPolarHBondContact O-CG2 3.38Å; A69-V73 PolarHBondContact O-N 3.26Å; I70-V73 PolarHBondContact O-N 3.22Å; V73-S75 PolarHBondContact O-N 2.93Å; V73-S76 PolarHBondContact O-N 3.34Å; V73-F77 WeakPolarHBondContact O-CB 3.42Å; V73-F77 PolarHBondContact O-N 3.11Å
74T92.4Very high89Confident56 Ų5646.4 Ų46.434%0.34424%0.235SC..Hα-helixtrans-66.5-37.2178.447.80000111.9I70 C71 F77 I78 N101I70-T74 HydrophobicContact CG2-CG2 4.27Å; I70-T74 WeakPolarHBondContact O-CB 3.34Å; I70-T74 WeakPolarHBondContact O-CG2 3.38Å; I70-T74 PolarHBondContact O-N 2.9Å; I70-T74 PolarHBondContact O-OG1 3.31Å; C71-T74 WeakPolarHBondContact CA-OG1 3.44Å; C71-T74 PolarHBondContact O-OG1 3.45Å; C71-T74 VanDerWaalsContact O-OG1 3.11Å; T74-F77 PolarHBondContact O-N 2.72Å; T74-I78 WeakPolarHBondContact O-CB 3.41Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.32Å; T74-I78 PolarHBondContact O-N 3.42Å; T74-N101 WeakPolarHBondContact CB-ND2 3.43Å; T74-N101 PolarHBondContact OG1-ND2 2.91Å
75S90Very high88.2Confident1 Ų150.3 Ų50.31%0.00725%0.248CC..Hα-helixtrans-61.6-45.4171.3-178.20000111.9C71 C72 V73 F77 I78 G79 Q98 N101C71-S75 VanDerWaalsContact O-CB 3.24Å; C71-S75 WeakPolarHBondContact O-CB 3.4Å; C71-S75 PolarHBondContact O-N 3.47Å; C72-S75 PolarHBondContact O-N 2.94Å; V73-S75 PolarHBondContact O-N 2.93Å; S75-F77 VanDerWaalsContact C-N 3.34Å; S75-F77 PolarHBondContact O-N 2.92Å; S75-I78 PolarHBondContact O-N 3.44Å; S75-G79 PolarHBondContact O-N 3.18Å; S75-Q98 WeakPolarHBondContact O-CG 3.47Å; S75-Q98 VanDerWaalsContact OG-CG 3.26Å; S75-Q98 WeakPolarHBondContact OG-CG 3.27Å; S75-Q98 PolarHBondContact OG-O 3.22Å; S75-N101 PolarHBondContact N-ND2 3.3Å
76S89.5Confident86.7Confident21 Ų2155 Ų5515%0.14728%0.28CS..Hα-helixtrans-60.8-43.5175.8-166.90000111.6I17 S20 G21 C72 V73 G79 A80I17-S76 PolarHBondContact O-OG 2.64Å; S20-S76 WeakPolarHBondContact OG-CB 3.35Å; G21-S76 WeakPolarHBondContact CA-OG 3.32Å; C72-S76 PolarHBondContact O-N 3.46Å; V73-S76 PolarHBondContact O-N 3.34Å; S76-G79 PolarHBondContact O-N 3.23Å; S76-A80 WeakPolarHBondContact O-CB 3.49Å; S76-A80 PolarHBondContact O-N 2.9Å
77F90.8Very high85.1Confident129 Ų12959.6 Ų59.657%0.56631%0.305SS*.Hα-helixtrans-63.5-46.3177.6-174.4-106.7000112.8V73 T74 S75 G79 A80 L81V73-F77 WeakPolarHBondContact O-CB 3.42Å; V73-F77 PolarHBondContact O-N 3.11Å; T74-F77 PolarHBondContact O-N 2.72Å; S75-F77 VanDerWaalsContact C-N 3.34Å; S75-F77 PolarHBondContact O-N 2.92Å; F77-G79 VanDerWaalsContact C-N 3.26Å; F77-G79 PolarHBondContact O-N 3.25Å; F77-A80 PolarHBondContact O-N 3.48Å; F77-L81 HydrophobicContact CD1-CD1 3.79Å; F77-L81 HydrophobicContact CD1-CG 4.28Å; F77-L81 HydrophobicContact CE1-CD1 3.34Å; F77-L81 HydrophobicContact CE1-CD2 4.49Å; F77-L81 HydrophobicContact CE1-CG 3.96Å; F77-L81 HydrophobicContact CE2-CG 4.48Å; F77-L81 HydrophobicContact CZ-CD1 3.85Å; F77-L81 HydrophobicContact CZ-CD2 4.16Å; F77-L81 HydrophobicContact CZ-CG 4.05Å; F77-L81 WeakPolarHBondContact O-CG 3.31Å; F77-L81 PolarHBondContact O-N 2.98Å
78I87.4Confident83.4Confident37 Ų3759.5 Ų59.519%0.1930%0.301CS..Hα-helixtrans-58.5-41.6174.7-69.8166000110.5T74 S75 R82 Y94 Q98T74-I78 WeakPolarHBondContact O-CB 3.41Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.32Å; T74-I78 PolarHBondContact O-N 3.42Å; S75-I78 PolarHBondContact O-N 3.44Å; I78-R82 PolarHBondContact O-N 2.96Å; I78-Y94 HydrophobicContact CG2-CD1 3.99Å; I78-Q98 HydrophobicContact CG2-CB 4.11Å
79G84.9Confident81.8Confident0 Ų064.2 Ų64.20%032%0.322CS..Hα-helixtrans-62.5-45.517500000112.9I17 S75 S76 F77 R82 M83I17-G79 WeakPolarHBondContact CD1-O 3.45Å; S75-G79 PolarHBondContact O-N 3.18Å; S76-G79 PolarHBondContact O-N 3.23Å; F77-G79 VanDerWaalsContact C-N 3.26Å; F77-G79 PolarHBondContact O-N 3.25Å; G79-R82 WeakPolarHBondContact O-CB 3.38Å; G79-R82 PolarHBondContact O-N 3.45Å; G79-M83 WeakPolarHBondContact O-CG 3.45Å; G79-M83 PolarHBondContact O-N 3.47Å
80A86.9Confident80.2Confident40 Ų4072.5 Ų72.533%0.33136%0.36SS..Hα-helixtrans-65-39.5179.100000112.2S76 F77 M83 R84S76-A80 WeakPolarHBondContact O-CB 3.49Å; S76-A80 PolarHBondContact O-N 2.9Å; F77-A80 PolarHBondContact O-N 3.48Å; A80-M83 WeakPolarHBondContact O-CB 3.19Å; A80-M83 PolarHBondContact O-N 3.18Å; A80-R84 PolarHBondContact O-N 3.37Å
81L85.4Confident79.1Confident59 Ų5970.4 Ų70.431%0.30935%0.352SS..Hα-helixtrans-61.4-44.4173-74.7178.9000111.5F77 M83 R84 Y85F77-L81 HydrophobicContact CD1-CD1 3.79Å; F77-L81 HydrophobicContact CD1-CG 4.28Å; F77-L81 HydrophobicContact CE1-CD1 3.34Å; F77-L81 HydrophobicContact CE1-CD2 4.49Å; F77-L81 HydrophobicContact CE1-CG 3.96Å; F77-L81 HydrophobicContact CE2-CG 4.48Å; F77-L81 HydrophobicContact CZ-CD1 3.85Å; F77-L81 HydrophobicContact CZ-CD2 4.16Å; F77-L81 HydrophobicContact CZ-CG 4.05Å; F77-L81 WeakPolarHBondContact O-CG 3.31Å; F77-L81 PolarHBondContact O-N 2.98Å; L81-M83 PolarHBondContact O-N 2.92Å; L81-R84 PolarHBondContact O-N 3.37Å; L81-Y85 HydrophobicContact CD2-CD2 4.11Å; L81-Y85 HydrophobicContact CD2-CE2 3.73Å; L81-Y85 PolarHBondContact O-N 3.01Å; L81-Y85 VanDerWaalsContact O-N 3.12Å
82R79.8Confident78.3Confident6 Ų678.1 Ų78.12%0.02338%0.383CS..Hα-helixtrans-59-37.2175.8-170.8-174.173.3-139.3-10.2112E13 I78 G79E13-R82 IonicContact OE1-CZ 3.41Å; E13-R82 IonicContact OE1-NE 3.26Å; E13-R82 IonicContact OE1-NH2 2.8Å; E13-R82 PolarHBondContact OE1-NH2 3.17Å; E13-R82 IonicContact OE2-CZ 3.22Å; E13-R82 IonicContact OE2-NE 2.93Å; E13-R82 PolarHBondContact OE2-NE 3.11Å; E13-R82 IonicContact OE2-NH2 3.82Å; E13-R82 PolarHBondContact OE2-NH2 2.8Å; I78-R82 PolarHBondContact O-N 2.96Å; G79-R82 WeakPolarHBondContact O-CB 3.38Å; G79-R82 PolarHBondContact O-N 3.45Å
83M77.9Confident77.7Confident38 Ų3886.6 Ų86.619%0.18742%0.42CS..Hα-helixtrans-70.4-45.6178.5-76.7-103.1-159.100113.2F10 E13 I14 I17 G79 A80 L81F10-M83 HydrophobicContact CD2-SD 3.99Å; F10-M83 HydrophobicContact CE2-SD 3.41Å; F10-M83 WeakPolarHBondContact CE2-SD 3.06Å; F10-M83 HydrophobicContact CZ-SD 4.06Å; E13-M83 HydrophobicContact CB-CE 3.41Å; E13-M83 VanDerWaalsContact CB-CE 3.41Å; I14-M83 VanDerWaalsContact CA-CE 3.45Å; I14-M83 HydrophobicContact CB-CE 4Å; I14-M83 HydrophobicContact CG1-CE 3.28Å; I14-M83 HydrophobicContact CG1-SD 3.99Å; I17-M83 HydrophobicContact CD1-CE 3.49Å; I17-M83 VanDerWaalsContact CD1-CE 3.49Å; I17-M83 HydrophobicContact CD1-CG 3.61Å; I17-M83 HydrophobicContact CD1-SD 4.47Å; G79-M83 WeakPolarHBondContact O-CG 3.45Å; G79-M83 PolarHBondContact O-N 3.47Å; A80-M83 WeakPolarHBondContact O-CB 3.19Å; A80-M83 PolarHBondContact O-N 3.18Å; L81-M83 PolarHBondContact O-N 2.92Å
84R80.6Confident77.1Confident213 Ų21388 Ų8880%0.80442%0.418SS*.Hα-helixtrans-71.4-39.1-174.8-89.1-167.8173.7-176.3-0.1112.9A80 L81A80-R84 PolarHBondContact O-N 3.37Å; L81-R84 PolarHBondContact O-N 3.37Å
85Y75.4Confident76.5Confident127 Ų12787.1 Ų87.150%0.49841%0.41SS..  trans-105.7105.9-173.3-63.5-76.6000110.3L81 N87 F88 K89L81-Y85 HydrophobicContact CD2-CD2 4.11Å; L81-Y85 HydrophobicContact CD2-CE2 3.73Å; L81-Y85 PolarHBondContact O-N 3.01Å; L81-Y85 VanDerWaalsContact O-N 3.12Å; Y85-N87 PolarHBondContact O-N 2.95Å; Y85-N87 VanDerWaalsContact O-N 3.11Å; Y85-F88 VanDerWaalsContact CB-CD2 3.44Å; Y85-F88 HydrophobicContact CG-CD2 4.17Å; Y85-F88 HydrophobicContact CG-CE2 4.38Å; Y85-F88 PolarHBondContact O-N 3.4Å; Y85-K89 PolarHBondContact O-N 3.3Å
86C58.6Low76.3Confident100 Ų10090.5 Ų90.568%0.67643%0.431SS*.Hα-helixtrans-52.1-35.1179.6-71.90000113.1F88 K89C86-F88 PolarHBondContact O-N 3.25Å; C86-K89 VanDerWaalsContact O-CB 3.31Å; C86-K89 WeakPolarHBondContact O-CB 3.37Å; C86-K89 PolarHBondContact O-N 3.14Å; C86-K89 VanDerWaalsContact O-N 3.13Å
87N58.5Low76.2Confident147 Ų14791.4 Ų91.479%0.78644%0.439SS*.Hα-helixtrans-61.3-31.1178.1-69-0.9000113.2Y85Y85-N87 PolarHBondContact O-N 2.95Å; Y85-N87 VanDerWaalsContact O-N 3.11Å
88F59.4Low76.1Confident84 Ų8485.4 Ų85.437%0.36841%0.413SS..Hα-helixtrans-87-17.8179.4-67.9-85.2000112.4Y85 C86 E90 T91 Y94Y85-F88 VanDerWaalsContact CB-CD2 3.44Å; Y85-F88 HydrophobicContact CG-CD2 4.17Å; Y85-F88 HydrophobicContact CG-CE2 4.38Å; Y85-F88 PolarHBondContact O-N 3.4Å; C86-F88 PolarHBondContact O-N 3.25Å; F88-E90 PolarHBondContact O-N 3.12Å; F88-T91 PolarHBondContact O-N 3.37Å; F88-T91 VanDerWaalsContact O-N 3.09Å; F88-T91 PolarHBondContact O-OG1 3.36Å; F88-Y94 HydrophobicContact CD1-CD2 4.2Å; F88-Y94 AromaticContact CD1-CE2 3.6Å; F88-Y94 HydrophobicContact CD1-CE2 3.6Å; F88-Y94 AromaticContact CD1-CZ 3.86Å; F88-Y94 HydrophobicContact CE1-CE2 4.05Å; F88-Y94 AromaticContact CE1-CZ 3.98Å
89K57.7Low76.2Confident99 Ų9985.7 Ų85.743%0.4341%0.413SS..Hα-helixtrans-61-29.2-177.3-160.2173-177.1174.50113Y85 C86Y85-K89 PolarHBondContact O-N 3.3Å; C86-K89 VanDerWaalsContact O-CB 3.31Å; C86-K89 WeakPolarHBondContact O-CB 3.37Å; C86-K89 PolarHBondContact O-N 3.14Å; C86-K89 VanDerWaalsContact O-N 3.13Å
90E59.1Low76.5Confident181 Ų18190.7 Ų90.785%0.84644%0.438SS*.THydrogen-bonded Turntrans-84.5-12.7179.3-65.2-163.4155.300114.1F88 K92F88-E90 PolarHBondContact O-N 3.12Å; E90-K92 PolarHBondContact O-N 3.27Å
91T69.8Low76.6Confident55 Ų5590.2 Ų90.234%0.33743%0.431SS..  trans-83.8102.8-174.143.90000112.6F88 K93 Y94F88-T91 PolarHBondContact O-N 3.37Å; F88-T91 VanDerWaalsContact O-N 3.09Å; F88-T91 PolarHBondContact O-OG1 3.36Å; T91-K93 PolarHBondContact O-N 3.27Å; T91-Y94 PolarHBondContact O-N 3.48Å; T91-Y94 VanDerWaalsContact O-N 3.16Å; T91-Y94 WeakPolarHBondContact OG1-CD2 3.23Å
92K76.4Confident76.9Confident181 Ų18187.6 Ų87.679%0.78742%0.417SS*.Hα-helixtrans-47.2-33.2174.4-75.7-176.4178177.90113.2E90 Y94 K95 T96E90-K92 PolarHBondContact O-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.29Å; K92-K95 PolarHBondContact O-N 2.91Å; K92-T96 PolarHBondContact O-N 2.97Å; K92-T96 PolarHBondContact O-OG1 2.82Å
93K79.6Confident77.6Confident177 Ų17790 Ų9077%0.7743%0.43SS*.Hα-helixtrans-55.4-47179.9-66.2-175.1179.5-179.30113.2T91 T96 A97T91-K93 PolarHBondContact O-N 3.27Å; K93-T96 PolarHBondContact O-N 3.46Å; K93-A97 WeakPolarHBondContact O-CB 3.38Å; K93-A97 PolarHBondContact O-N 3.46Å
94Y78.1Confident78.4Confident96 Ų9690.2 Ų90.238%0.37644%0.437SS..Hα-helixtrans-73.5-32.3-177.9-72.1-86.7000112.6I78 F88 T91 K92 A97 Q98I78-Y94 HydrophobicContact CG2-CD1 3.99Å; F88-Y94 HydrophobicContact CD1-CD2 4.2Å; F88-Y94 AromaticContact CD1-CE2 3.6Å; F88-Y94 HydrophobicContact CD1-CE2 3.6Å; F88-Y94 AromaticContact CD1-CZ 3.86Å; F88-Y94 HydrophobicContact CE1-CE2 4.05Å; F88-Y94 AromaticContact CE1-CZ 3.98Å; T91-Y94 PolarHBondContact O-N 3.48Å; T91-Y94 VanDerWaalsContact O-N 3.16Å; T91-Y94 WeakPolarHBondContact OG1-CD2 3.23Å; K92-Y94 PolarHBondContact O-N 3.29Å; Y94-A97 PolarHBondContact O-N 3.25Å; Y94-Q98 WeakPolarHBondContact O-CB 3.37Å; Y94-Q98 PolarHBondContact O-N 3.39Å
95K81.5Confident78.9Confident38 Ų3880 Ų8017%0.16540%0.399CS..Hα-helixtrans-61.1-47.6172.3175.2170.9-179.8-167.40110.3K92 F99 Y222 E229K92-K95 PolarHBondContact O-N 2.91Å; K95-F99 PolarHBondContact O-N 3.43Å; K95-Y222 WeakPolarHBondContact CE-OH 3.46Å; K95-Y222 HydrophobicContact CG-CE2 4.14Å; K95-Y222 WeakPolarHBondContact CG-OH 3.23Å; K95-Y222 PolarHBondContact O-OH 2.94Å; K95-E229 IonicContact NZ-OE1 2.68Å; K95-E229 PolarHBondContact NZ-OE1 2.92Å; K95-E229 IonicContact NZ-OE2 3.55Å; K95-E229 PolarHBondContact NZ-OE2 3.04Å
96T84.3Confident79.8Confident73 Ų7376 Ų7645%0.44838%0.384SS..Hα-helixtrans-65-43.4175.5-53.90000112.5K92 K93 Q98 F99 I100K92-T96 PolarHBondContact O-N 2.97Å; K92-T96 PolarHBondContact O-OG1 2.82Å; K93-T96 PolarHBondContact O-N 3.46Å; T96-Q98 PolarHBondContact O-N 3.46Å; T96-F99 PolarHBondContact O-N 3.12Å; T96-I100 HydrophobicContact CG2-CD1 3.72Å; T96-I100 HydrophobicContact CG2-CG1 4.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.33Å; T96-I100 PolarHBondContact O-N 3.28Å
97A87.3Confident81.6Confident40 Ų4076.1 Ų76.133%0.33138%0.377SS..Hα-helixtrans-62.2-43.2178.500000112.4K93 Y94 F99 N101K93-A97 WeakPolarHBondContact O-CB 3.38Å; K93-A97 PolarHBondContact O-N 3.46Å; Y94-A97 PolarHBondContact O-N 3.25Å; A97-F99 VanDerWaalsContact C-N 3.3Å; A97-F99 PolarHBondContact O-N 3.44Å; A97-N101 WeakPolarHBondContact O-CB 3.43Å; A97-N101 PolarHBondContact O-N 2.68Å
98Q88.8Confident83.3Confident3 Ų369.6 Ų69.61%0.01434%0.343CS..Hα-helixtrans-56-46.9174.7-176.8-177.77.500111.1S75 I78 Y94 T96 S102S75-Q98 WeakPolarHBondContact O-CG 3.47Å; S75-Q98 VanDerWaalsContact OG-CG 3.26Å; S75-Q98 WeakPolarHBondContact OG-CG 3.27Å; S75-Q98 PolarHBondContact OG-O 3.22Å; I78-Q98 HydrophobicContact CG2-CB 4.11Å; Y94-Q98 WeakPolarHBondContact O-CB 3.37Å; Y94-Q98 PolarHBondContact O-N 3.39Å; T96-Q98 PolarHBondContact O-N 3.46Å; Q98-S102 VanDerWaalsContact O-CB 3.31Å; Q98-S102 WeakPolarHBondContact O-CB 3.26Å; Q98-S102 PolarHBondContact O-N 2.89Å
99F89.6Confident84.9Confident43 Ų4365.6 Ų65.619%0.18933%0.325CS..Hα-helixtrans-67.5-48.6-177.8-178.9-114.3000112.8K95 T96 A97 N101 S102 I103 Y222 L223K95-F99 PolarHBondContact O-N 3.43Å; T96-F99 PolarHBondContact O-N 3.12Å; A97-F99 VanDerWaalsContact C-N 3.3Å; A97-F99 PolarHBondContact O-N 3.44Å; F99-N101 VanDerWaalsContact C-N 3.28Å; F99-N101 PolarHBondContact O-N 3.22Å; F99-S102 WeakPolarHBondContact O-CB 3.38Å; F99-S102 PolarHBondContact O-N 3.06Å; F99-S102 VanDerWaalsContact O-N 3.17Å; F99-I103 HydrophobicContact CD1-CD1 3.74Å; F99-I103 HydrophobicContact CD2-CD1 4.34Å; F99-I103 HydrophobicContact CE1-CD1 3.25Å; F99-I103 HydrophobicContact CE1-CG1 4.4Å; F99-I103 HydrophobicContact CE2-CD1 3.92Å; F99-I103 HydrophobicContact CE2-CG1 4.29Å; F99-I103 HydrophobicContact CG-CD1 4.28Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-I103 HydrophobicContact CZ-CG1 4.2Å; F99-I103 PolarHBondContact O-N 2.92Å; F99-Y222 HydrophobicContact CB-CD1 4.3Å; F99-Y222 HydrophobicContact CB-CE1 3.78Å; F99-Y222 HydrophobicContact CB-CE2 4.23Å; F99-Y222 HydrophobicContact CD1-CE1 4.2Å; F99-Y222 AromaticContact CD2-CD1 3.13Å; F99-Y222 HydrophobicContact CD2-CD1 3.13Å; F99-Y222 HydrophobicContact CD2-CD2 4.34Å; F99-Y222 AromaticContact CD2-CE1 3.42Å; F99-Y222 HydrophobicContact CD2-CE1 3.42Å; F99-Y222 VanDerWaalsContact CD2-CE1 3.42Å; F99-Y222 AromaticContact CD2-CG 3.66Å; F99-Y222 HydrophobicContact CD2-CG 3.66Å; F99-Y222 AromaticContact CE2-CD1 3.42Å; F99-Y222 HydrophobicContact CE2-CD1 3.42Å; F99-Y222 VanDerWaalsContact CE2-CD1 3.42Å; F99-Y222 AromaticContact CE2-CE1 3.96Å; F99-Y222 HydrophobicContact CE2-CE1 3.96Å; F99-Y222 HydrophobicContact CE2-CG 4.12Å; F99-Y222 AromaticContact CG-CD1 3.79Å; F99-Y222 HydrophobicContact CG-CD1 3.79Å; F99-Y222 AromaticContact CG-CE1 3.53Å; F99-Y222 HydrophobicContact CG-CE1 3.53Å; F99-Y222 HydrophobicContact CG-CG 4.48Å; F99-Y222 HydrophobicContact CZ-CD1 4.26Å; F99-L223 HydrophobicContact CE2-CD2 4.46Å; F99-L223 HydrophobicContact CE2-CG 4.32Å; F99-L223 HydrophobicContact CZ-CD2 3.94Å; F99-L223 HydrophobicContact CZ-CG 4.22Å
100I91.2Very high86.6Confident104 Ų10464.6 Ų64.653%0.53332%0.324SS..Hα-helixtrans-58.8-45178.2-68.8172.1000110.3T96 S102 I103 A104T96-I100 HydrophobicContact CG2-CD1 3.72Å; T96-I100 HydrophobicContact CG2-CG1 4.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.33Å; T96-I100 PolarHBondContact O-N 3.28Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.13Å; I100-I103 PolarHBondContact O-N 3.3Å; I100-A104 PolarHBondContact O-N 2.91Å
101N90.4Very high88.3Confident31 Ų3158.1 Ų58.117%0.16630%0.299CS..Hα-helixtrans-67.4-34.9-179.5-160.723.2000112C71 T74 S75 A97 F99 A104 G105C71-N101 WeakPolarHBondContact CA-OD1 3.38Å; C71-N101 WeakPolarHBondContact CB-O 3.48Å; C71-N101 WeakPolarHBondContact CB-OD1 3.39Å; C71-N101 PolarHBondContact O-ND2 3.02Å; C71-N101 PolarHBondContact SG-OD1 3.2Å; T74-N101 WeakPolarHBondContact CB-ND2 3.43Å; T74-N101 PolarHBondContact OG1-ND2 2.91Å; S75-N101 PolarHBondContact N-ND2 3.3Å; A97-N101 WeakPolarHBondContact O-CB 3.43Å; A97-N101 PolarHBondContact O-N 2.68Å; F99-N101 VanDerWaalsContact C-N 3.28Å; F99-N101 PolarHBondContact O-N 3.22Å; N101-A104 PolarHBondContact O-N 2.92Å; N101-G105 PolarHBondContact O-N 3.23Å
102S91.1Very high89.3Confident3 Ų355.5 Ų55.52%0.02128%0.283CS..Hα-helixtrans-65.1-40.4172.5-171.40000112.2Q98 F99 I100 G105 F106 N219Q98-S102 VanDerWaalsContact O-CB 3.31Å; Q98-S102 WeakPolarHBondContact O-CB 3.26Å; Q98-S102 PolarHBondContact O-N 2.89Å; F99-S102 WeakPolarHBondContact O-CB 3.38Å; F99-S102 PolarHBondContact O-N 3.06Å; F99-S102 VanDerWaalsContact O-N 3.17Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.13Å; S102-G105 PolarHBondContact O-N 3.42Å; S102-F106 WeakPolarHBondContact O-CB 3.47Å; S102-F106 PolarHBondContact O-N 3.23Å; S102-N219 VanDerWaalsContact CB-OD1 3.27Å; S102-N219 WeakPolarHBondContact CB-OD1 3.33Å; S102-N219 PolarHBondContact OG-OD1 3.38Å
103I93.9Very high90Very high58 Ų5847.8 Ų47.830%0.29725%0.251SS..Hα-helixtrans-64.9-47.5174.3-71.3167000111F99 I100 G105 F106 I107F99-I103 HydrophobicContact CD1-CD1 3.74Å; F99-I103 HydrophobicContact CD2-CD1 4.34Å; F99-I103 HydrophobicContact CE1-CD1 3.25Å; F99-I103 HydrophobicContact CE1-CG1 4.4Å; F99-I103 HydrophobicContact CE2-CD1 3.92Å; F99-I103 HydrophobicContact CE2-CG1 4.29Å; F99-I103 HydrophobicContact CG-CD1 4.28Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-I103 HydrophobicContact CZ-CG1 4.2Å; F99-I103 PolarHBondContact O-N 2.92Å; I100-I103 PolarHBondContact O-N 3.3Å; I103-G105 VanDerWaalsContact C-N 3.25Å; I103-G105 PolarHBondContact O-N 3.33Å; I103-F106 WeakPolarHBondContact O-CB 3.41Å; I103-F106 PolarHBondContact O-N 3.37Å; I103-F106 VanDerWaalsContact O-N 3.14Å; I103-I107 HydrophobicContact CG2-CD1 3.68Å; I103-I107 HydrophobicContact CG2-CG1 4.28Å; I103-I107 WeakPolarHBondContact O-CG1 3.43Å; I103-I107 PolarHBondContact O-N 2.97Å
104A94.4Very high90.5Very high41 Ų4142.4 Ų42.434%0.33924%0.236SC..Hα-helixtrans-57.6-43.6177.400000110.7I100 N101 I107 S108I100-A104 PolarHBondContact O-N 2.91Å; N101-A104 PolarHBondContact O-N 2.92Å; A104-I107 PolarHBondContact O-N 3.38Å; A104-S108 VanDerWaalsContact O-CB 3.26Å; A104-S108 WeakPolarHBondContact O-CB 3.24Å; A104-S108 PolarHBondContact O-N 3.24Å
105G92Very high90.9Very high0 Ų039.8 Ų39.80%023%0.23CC..Hα-helixtrans-58.5-47.8173.400000113N101 S102 I103 S108 L109N101-G105 PolarHBondContact O-N 3.23Å; S102-G105 PolarHBondContact O-N 3.42Å; I103-G105 VanDerWaalsContact C-N 3.25Å; I103-G105 PolarHBondContact O-N 3.33Å; G105-S108 PolarHBondContact O-N 3.49Å; G105-L109 WeakPolarHBondContact O-CB 3.3Å; G105-L109 WeakPolarHBondContact O-CG 3.31Å; G105-L109 PolarHBondContact O-N 3.2Å
106F94Very high91Very high43 Ų4338.5 Ų38.519%0.18922%0.224CC..Hα-helixtrans-59.6-50.1177.6170.4-112.9000112.7S102 I103 S108 L109 L110 A212 F216S102-F106 WeakPolarHBondContact O-CB 3.47Å; S102-F106 PolarHBondContact O-N 3.23Å; I103-F106 WeakPolarHBondContact O-CB 3.41Å; I103-F106 PolarHBondContact O-N 3.37Å; I103-F106 VanDerWaalsContact O-N 3.14Å; F106-S108 VanDerWaalsContact C-N 3.3Å; F106-S108 PolarHBondContact O-N 3.45Å; F106-L109 PolarHBondContact O-N 3.15Å; F106-L110 HydrophobicContact CE1-CD2 4.33Å; F106-L110 HydrophobicContact CZ-CD2 4Å; F106-L110 VanDerWaalsContact O-CB 3.31Å; F106-L110 WeakPolarHBondContact O-CB 3.43Å; F106-L110 PolarHBondContact O-N 2.63Å; F106-A212 WeakPolarHBondContact CD2-O 3.38Å; F106-F216 HydrophobicContact CD2-CB 4.07Å; F106-F216 HydrophobicContact CE1-CD2 4.39Å; F106-F216 HydrophobicContact CE2-CB 3.66Å; F106-F216 HydrophobicContact CE2-CD2 4.2Å; F106-F216 HydrophobicContact CE2-CG 4.37Å; F106-F216 HydrophobicContact CZ-CB 4.22Å; F106-F216 AromaticContact CZ-CD2 3.88Å; F106-F216 HydrophobicContact CZ-CD2 3.88Å; F106-F216 HydrophobicContact CZ-CG 4.47Å
107I95.6Very high91Very high101 Ų10136.3 Ų36.352%0.51821%0.213SC..Hα-helixtrans-62.3-42.1-179.3-66170000110.4I103 A104 L110 S111I103-I107 HydrophobicContact CG2-CD1 3.68Å; I103-I107 HydrophobicContact CG2-CG1 4.28Å; I103-I107 WeakPolarHBondContact O-CG1 3.43Å; I103-I107 PolarHBondContact O-N 2.97Å; A104-I107 PolarHBondContact O-N 3.38Å; I107-L110 PolarHBondContact O-N 2.87Å; I107-S111 VanDerWaalsContact O-CB 3.29Å; I107-S111 WeakPolarHBondContact O-CB 3.41Å; I107-S111 PolarHBondContact O-N 3.38Å
108S94.2Very high90.7Very high11 Ų1138 Ų388%0.07722%0.217CC..Hα-helixtrans-65.6-43.7-179.4-163.50000111.9L64 G68 A104 G105 F106 S111 S112L64-S108 PolarHBondContact O-OG 2.93Å; G68-S108 PolarHBondContact N-OG 2.96Å; A104-S108 VanDerWaalsContact O-CB 3.26Å; A104-S108 WeakPolarHBondContact O-CB 3.24Å; A104-S108 PolarHBondContact O-N 3.24Å; G105-S108 PolarHBondContact O-N 3.49Å; F106-S108 VanDerWaalsContact C-N 3.3Å; F106-S108 PolarHBondContact O-N 3.45Å; S108-S111 PolarHBondContact O-N 2.75Å; S108-S112 PolarHBondContact O-N 3Å
109L93.2Very high90Very high0 Ų038.6 Ų38.60%022%0.219CC..Hα-helixtrans-65.2-43.6173.9-70.2171000112.2A27 G105 F106 S111 S112 V113 S211 A212A27-L109 HydrophobicContact CB-CD1 4.37Å; A27-L109 HydrophobicContact CB-CD2 3.73Å; G105-L109 WeakPolarHBondContact O-CB 3.3Å; G105-L109 WeakPolarHBondContact O-CG 3.31Å; G105-L109 PolarHBondContact O-N 3.2Å; F106-L109 PolarHBondContact O-N 3.15Å; L109-S111 VanDerWaalsContact C-N 3.34Å; L109-S111 PolarHBondContact O-N 2.83Å; L109-S112 WeakPolarHBondContact O-CB 3.44Å; L109-S112 PolarHBondContact O-N 3.07Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.46Å; L109-V113 PolarHBondContact O-N 2.9Å; L109-S211 VanDerWaalsContact CD1-OG 3.26Å; L109-S211 WeakPolarHBondContact CD1-OG 3.47Å; L109-A212 HydrophobicContact CB-CB 4.05Å
110L94.5Very high89.2Confident77 Ų7737.4 Ų37.440%0.40321%0.214SC..Hα-helixtrans-61.5-45178.1-174.766.5000110.8F106 I107 S112 V113 S114F106-L110 HydrophobicContact CE1-CD2 4.33Å; F106-L110 HydrophobicContact CZ-CD2 4Å; F106-L110 VanDerWaalsContact O-CB 3.31Å; F106-L110 WeakPolarHBondContact O-CB 3.43Å; F106-L110 PolarHBondContact O-N 2.63Å; I107-L110 PolarHBondContact O-N 2.87Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 3.48Å; L110-V113 PolarHBondContact O-N 3.03Å; L110-S114 WeakPolarHBondContact O-CB 3.42Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-OG 2.85Å; L110-S114 VanDerWaalsContact O-OG 3.04Å
111S93.7Very high88.2Confident46 Ų4636.7 Ų36.732%0.32222%0.218SC..Hα-helixtrans-61-43.1176-176.10000111.5L64 I107 S108 L109 V113 S114 V115L64-S111 WeakPolarHBondContact CD1-OG 3.41Å; I107-S111 VanDerWaalsContact O-CB 3.29Å; I107-S111 WeakPolarHBondContact O-CB 3.41Å; I107-S111 PolarHBondContact O-N 3.38Å; S108-S111 PolarHBondContact O-N 2.75Å; L109-S111 VanDerWaalsContact C-N 3.34Å; L109-S111 PolarHBondContact O-N 2.83Å; S111-V113 PolarHBondContact O-N 2.93Å; S111-S114 PolarHBondContact O-N 3.44Å; S111-V115 VanDerWaalsContact O-CG2 3.29Å; S111-V115 WeakPolarHBondContact O-CG2 3.28Å; S111-V115 PolarHBondContact O-N 3.37Å
112S91Very high87.1Confident0 Ų040 Ų400%023%0.232CC..Hα-helixtrans-58.2-46.7173.9-177.80000112W37 S61 S108 L109 L110 V115 W116W37-S112 WeakPolarHBondContact CH2-OG 3.35Å; S61-S112 PolarHBondContact O-OG 3.23Å; S61-S112 VanDerWaalsContact O-OG 3.09Å; S108-S112 PolarHBondContact O-N 3Å; L109-S112 WeakPolarHBondContact O-CB 3.44Å; L109-S112 PolarHBondContact O-N 3.07Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 3.48Å; S112-V115 PolarHBondContact O-N 2.9Å; S112-W116 PolarHBondContact O-N 3.28Å; S112-W116 VanDerWaalsContact O-N 3.17Å
113V91.4Very high85.7Confident18 Ų1839.9 Ų39.911%0.10923%0.231CC..Hα-helixtrans-62.6-44.6178.4172.40000110.6L109 L110 S111 W116 A117 Y205 C208 A209L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.46Å; L109-V113 PolarHBondContact O-N 2.9Å; L110-V113 PolarHBondContact O-N 3.03Å; S111-V113 PolarHBondContact O-N 2.93Å; V113-W116 PolarHBondContact O-N 3.4Å; V113-A117 WeakPolarHBondContact O-CB 3.4Å; V113-A117 PolarHBondContact O-N 2.93Å; V113-Y205 HydrophobicContact CB-CE2 4.44Å; V113-Y205 HydrophobicContact CG1-CE2 3.89Å; V113-Y205 WeakPolarHBondContact CG1-OH 3.5Å; V113-C208 HydrophobicContact CG2-CB 4.2Å; V113-A209 HydrophobicContact CG1-CB 4.41Å; V113-A209 HydrophobicContact CG2-CB 4.38Å
114S90.1Very high83.9Confident65 Ų6538.5 Ų38.546%0.45523%0.226SC..Hα-helixtrans-63.6-42.2178.6-60.90000112.9L110 S111 W116 A117 D118L110-S114 WeakPolarHBondContact O-CB 3.42Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-OG 2.85Å; L110-S114 VanDerWaalsContact O-OG 3.04Å; S111-S114 PolarHBondContact O-N 3.44Å; S114-W116 VanDerWaalsContact C-N 3.29Å; S114-W116 PolarHBondContact O-N 2.86Å; S114-A117 PolarHBondContact O-N 3.38Å; S114-D118 WeakPolarHBondContact O-CB 3.32Å; S114-D118 PolarHBondContact O-N 3.42Å
115V86.5Confident82Confident41 Ų4144.8 Ų44.825%0.24824%0.242CC..Hα-helixtrans-62.4-39.4177.1172.40000110.7S111 S112 Y119S111-V115 VanDerWaalsContact O-CG2 3.29Å; S111-V115 WeakPolarHBondContact O-CG2 3.28Å; S111-V115 PolarHBondContact O-N 3.37Å; S112-V115 PolarHBondContact O-N 2.9Å; V115-Y119 WeakPolarHBondContact O-CB 3.26Å; V115-Y119 PolarHBondContact O-N 3.14Å
116W83.7Confident80Confident10 Ų1047.6 Ų47.64%0.03826%0.255CS..Hα-helixtrans-70.5-39176.1-88.8100.5000113.6W37 V38 S61 S112 V113 S114 D118 Y119 L120 Y205W37-W116 HydrophobicContact CB-CD2 4.43Å; W37-W116 HydrophobicContact CB-CH2 4.19Å; W37-W116 HydrophobicContact CB-CZ2 4Å; W37-W116 HydrophobicContact CD2-CD2 4.43Å; W37-W116 HydrophobicContact CD2-CG 4.46Å; W37-W116 AromaticContact CD2-NE1 3.82Å; W37-W116 HydrophobicContact CE3-CB 4.05Å; W37-W116 AromaticContact CE3-CD1 3.1Å; W37-W116 AromaticContact CE3-CD2 3.6Å; W37-W116 HydrophobicContact CE3-CD2 3.6Å; W37-W116 AromaticContact CE3-CE2 3.5Å; W37-W116 AromaticContact CE3-CG 3.29Å; W37-W116 HydrophobicContact CE3-CG 3.29Å; W37-W116 HydrophobicContact CE3-CZ2 4.4Å; W37-W116 AromaticContact CE3-NE1 3.15Å; W37-W116 HydrophobicContact CG-CZ2 4.43Å; W37-W116 AromaticContact CH2-CD1 3.94Å; W37-W116 HydrophobicContact CZ3-CB 4.03Å; W37-W116 AromaticContact CZ3-CD1 2.96Å; W37-W116 HydrophobicContact CZ3-CD2 4.24Å; W37-W116 AromaticContact CZ3-CG 3.48Å; W37-W116 HydrophobicContact CZ3-CG 3.48Å; W37-W116 VanDerWaalsContact CZ3-CG 3.48Å; W37-W116 AromaticContact CZ3-NE1 3.38Å; V38-W116 HydrophobicContact CG2-CE3 4.22Å; V38-W116 HydrophobicContact CG2-CH2 3.55Å; V38-W116 HydrophobicContact CG2-CZ3 3.19Å; S61-W116 PolarHBondContact OG-NE1 3.47Å; S112-W116 PolarHBondContact O-N 3.28Å; S112-W116 VanDerWaalsContact O-N 3.17Å; V113-W116 PolarHBondContact O-N 3.4Å; S114-W116 VanDerWaalsContact C-N 3.29Å; S114-W116 PolarHBondContact O-N 2.86Å; W116-D118 VanDerWaalsContact C-N 3.35Å; W116-Y119 AromaticContact CE3-CD1 3.74Å; W116-Y119 HydrophobicContact CE3-CD1 3.74Å; W116-Y119 HydrophobicContact CE3-CE1 4.38Å; W116-Y119 HydrophobicContact CE3-CG 4.41Å; W116-Y119 AromaticContact CZ3-CD1 3.55Å; W116-Y119 HydrophobicContact CZ3-CD1 3.55Å; W116-Y119 AromaticContact CZ3-CE1 3.72Å; W116-Y119 HydrophobicContact CZ3-CE1 3.72Å; W116-Y119 HydrophobicContact CZ3-CG 4.43Å; W116-Y119 PolarHBondContact O-N 3.16Å; W116-L120 WeakPolarHBondContact O-CB 3.05Å; W116-L120 WeakPolarHBondContact O-CG 3.29Å; W116-L120 PolarHBondContact O-N 3.24Å; W116-Y205 HydrophobicContact CB-CD2 3.78Å; W116-Y205 HydrophobicContact CB-CE2 3.69Å; W116-Y205 HydrophobicContact CG-CD2 4.4Å
117A84.3Confident78Confident27 Ų2747.2 Ų47.222%0.22326%0.255CS..Hα-helixtrans-61.1-45.3173.100000111.3V113 S114 L120 C121V113-A117 WeakPolarHBondContact O-CB 3.4Å; V113-A117 PolarHBondContact O-N 2.93Å; S114-A117 PolarHBondContact O-N 3.38Å; A117-L120 PolarHBondContact O-N 3Å; A117-C121 WeakPolarHBondContact O-CB 3.38Å; A117-C121 PolarHBondContact O-N 3.42Å; A117-C121 PolarHBondContact O-SG 2.97Å
118D81.1Confident75.9Confident76 Ų7646.1 Ų46.141%0.40625%0.253SS..Hα-helixtrans-63.6-46176.8-172.263.4000112S114 W116 L120 C121 H122S114-D118 WeakPolarHBondContact O-CB 3.32Å; S114-D118 PolarHBondContact O-N 3.42Å; W116-D118 VanDerWaalsContact C-N 3.35Å; D118-L120 VanDerWaalsContact C-N 3.34Å; D118-L120 PolarHBondContact O-N 3.32Å; D118-C121 PolarHBondContact O-N 3.32Å; D118-H122 PolarHBondContact O-N 3.41Å; D118-H122 PolarHBondContact O-ND1 2.91Å; D118-H122 IonicContact OD1-CE1 3.84Å; D118-H122 PolarHBondContact OD1-CE1 3.22Å; D118-H122 IonicContact OD1-ND1 2.69Å; D118-H122 PolarHBondContact OD1-ND1 3.5Å; D118-H122 VanDerWaalsContact OD1-ND1 3.08Å
119Y74.7Confident73.8Confident16 Ų1648.2 Ų48.26%0.06327%0.265CS..Hα-helixtrans-53.7-49.5175.6177.1-98.2000111.5H54 V115 W116 H122 L123H54-Y119 HydrophobicContact CB-CE2 3.79Å; H54-Y119 AromaticContact CG-CE2 3.74Å; H54-Y119 AromaticContact ND1-CD2 3.89Å; H54-Y119 AromaticContact ND1-CE2 3.34Å; H54-Y119 VanDerWaalsContact ND1-CE2 3.34Å; H54-Y119 WeakPolarHBondContact ND1-CE2 3.34Å; V115-Y119 WeakPolarHBondContact O-CB 3.26Å; V115-Y119 PolarHBondContact O-N 3.14Å; W116-Y119 AromaticContact CE3-CD1 3.74Å; W116-Y119 HydrophobicContact CE3-CD1 3.74Å; W116-Y119 HydrophobicContact CE3-CE1 4.38Å; W116-Y119 HydrophobicContact CE3-CG 4.41Å; W116-Y119 AromaticContact CZ3-CD1 3.55Å; W116-Y119 HydrophobicContact CZ3-CD1 3.55Å; W116-Y119 AromaticContact CZ3-CE1 3.72Å; W116-Y119 HydrophobicContact CZ3-CE1 3.72Å; W116-Y119 HydrophobicContact CZ3-CG 4.43Å; W116-Y119 PolarHBondContact O-N 3.16Å; Y119-H122 PolarHBondContact O-N 3.03Å; Y119-L123 HydrophobicContact CE1-CD1 4.23Å; Y119-L123 HydrophobicContact CE1-CD2 4.06Å; Y119-L123 HydrophobicContact CE2-CD1 3.85Å; Y119-L123 WeakPolarHBondContact O-CB 3.35Å; Y119-L123 PolarHBondContact O-N 3.19Å; Y119-L123 VanDerWaalsContact O-N 3.07Å
120L71.6Confident71.8Confident18 Ų1850.6 Ų50.69%0.09428%0.28CS..Hα-helixtrans-69.7-34.8-178.2-72.2167.6000112.9W116 A117 D118 P124 F201W116-L120 WeakPolarHBondContact O-CB 3.05Å; W116-L120 WeakPolarHBondContact O-CG 3.29Å; W116-L120 PolarHBondContact O-N 3.24Å; A117-L120 PolarHBondContact O-N 3Å; D118-L120 VanDerWaalsContact C-N 3.34Å; D118-L120 PolarHBondContact O-N 3.32Å; L120-P124 WeakPolarHBondContact O-CD 3.4Å; L120-F201 HydrophobicContact CB-CE1 4.21Å; L120-F201 HydrophobicContact CD1-CD1 3.16Å; L120-F201 HydrophobicContact CD1-CE1 3.27Å; L120-F201 HydrophobicContact CD1-CG 4.13Å; L120-F201 HydrophobicContact CD1-CZ 4.3Å; L120-F201 HydrophobicContact CG-CE1 4.35Å
121C71.5Confident69.4Low89 Ų8951.7 Ų51.760%0.60129%0.286SS*.Hα-helixtrans-69-33.5176.6-740000113.3A117 D118 P124A117-C121 WeakPolarHBondContact O-CB 3.38Å; A117-C121 PolarHBondContact O-N 3.42Å; A117-C121 PolarHBondContact O-SG 2.97Å; D118-C121 PolarHBondContact O-N 3.32Å; C121-P124 WeakPolarHBondContact O-CD 3.44Å
122H66.9Low67.3Low99 Ų9954.1 Ų54.146%0.45829%0.292SS..Hα-helixtrans-96.9-20.1-173.5-68.979.5000114.4D118 Y119 P124 Y125D118-H122 PolarHBondContact O-N 3.41Å; D118-H122 PolarHBondContact O-ND1 2.91Å; D118-H122 IonicContact OD1-CE1 3.84Å; D118-H122 PolarHBondContact OD1-CE1 3.22Å; D118-H122 IonicContact OD1-ND1 2.69Å; D118-H122 PolarHBondContact OD1-ND1 3.5Å; D118-H122 VanDerWaalsContact OD1-ND1 3.08Å; Y119-H122 PolarHBondContact O-N 3.03Å; H122-P124 VanDerWaalsContact C-CD 3.42Å; H122-Y125 PolarHBondContact O-N 2.95Å
123L62.3Low65.2Low2 Ų259.4 Ų59.41%0.0132%0.32CS..Hα-helixtrans-52.3-42.7175.3-148.368.6000115.6Y42 I46 Y119 Y125 E126 L127Y42-L123 HydrophobicContact CD1-CD2 3.84Å; Y42-L123 HydrophobicContact CE1-CD2 3.68Å; I46-L123 HydrophobicContact CD1-CD2 3.42Å; I46-L123 VanDerWaalsContact CD1-CD2 3.42Å; I46-L123 HydrophobicContact CG1-CD2 3.49Å; I46-L123 VanDerWaalsContact CG1-CD2 3.49Å; Y119-L123 HydrophobicContact CE1-CD1 4.23Å; Y119-L123 HydrophobicContact CE1-CD2 4.06Å; Y119-L123 HydrophobicContact CE2-CD1 3.85Å; Y119-L123 WeakPolarHBondContact O-CB 3.35Å; Y119-L123 PolarHBondContact O-N 3.19Å; Y119-L123 VanDerWaalsContact O-N 3.07Å; L123-Y125 VanDerWaalsContact C-N 3.3Å; L123-Y125 PolarHBondContact O-N 3.09Å; L123-E126 PolarHBondContact O-N 3.28Å; L123-L127 HydrophobicContact CG-CD1 4.2Å; L123-L127 PolarHBondContact O-N 2.99Å; L123-L127 VanDerWaalsContact O-N 3.11Å
124P54.5Low63.1Low29 Ų2962.7 Ų62.719%0.18834%0.337CS..Hα-helixtrans-67.3-28.7-177.223.7-33000113.5L120 C121 H122 T128 Y199L120-P124 WeakPolarHBondContact O-CD 3.4Å; C121-P124 WeakPolarHBondContact O-CD 3.44Å; H122-P124 VanDerWaalsContact C-CD 3.42Å; P124-T128 PolarHBondContact O-N 3.14Å; P124-T128 PolarHBondContact O-OG1 3.02Å; P124-Y199 HydrophobicContact CG-CE1 4.23Å
125Y54.3Low61.3Low172 Ų17265.9 Ų65.968%0.67534%0.343SS*.Hα-helixtrans-71.2-38.9176.7-173.9-96.7000111.6H122 L123 T128 T129H122-Y125 PolarHBondContact O-N 2.95Å; L123-Y125 VanDerWaalsContact C-N 3.3Å; L123-Y125 PolarHBondContact O-N 3.09Å; Y125-T128 PolarHBondContact O-OG1 3.21Å; Y125-T129 HydrophobicContact CD1-CG2 4.29Å; Y125-T129 HydrophobicContact CE1-CG2 3.9Å; Y125-T129 HydrophobicContact CE2-CG2 4.46Å; Y125-T129 WeakPolarHBondContact O-CB 3.49Å; Y125-T129 WeakPolarHBondContact O-CG2 3.31Å; Y125-T129 PolarHBondContact O-N 3.46Å; Y125-T129 VanDerWaalsContact O-N 3.14Å; Y125-T129 PolarHBondContact O-OG1 3Å
126E50.4Low59.4Low59 Ų5968.6 Ų68.628%0.27636%0.355SS..Hα-helixtrans-68.4-44.2176.1-74.5-167.9-159.200111.9N51 H54 L123 T128 T129 T130N51-E126 PolarHBondContact ND2-OE2 3.35Å; H54-E126 IonicContact CD2-OE2 3.12Å; H54-E126 IonicContact CE1-OE1 3.4Å; H54-E126 IonicContact CE1-OE2 2.73Å; H54-E126 PolarHBondContact CE1-OE2 2.99Å; H54-E126 VanDerWaalsContact CE1-OE2 3.22Å; H54-E126 IonicContact NE2-OE2 2.9Å; H54-E126 PolarHBondContact NE2-OE2 3.03Å; L123-E126 PolarHBondContact O-N 3.28Å; E126-T128 PolarHBondContact O-N 2.88Å; E126-T129 WeakPolarHBondContact CA-OG1 3.49Å; E126-T129 PolarHBondContact O-N 3.23Å; E126-T129 PolarHBondContact O-OG1 2.99Å; E126-T130 PolarHBondContact O-N 3.22Å; E126-T130 PolarHBondContact O-OG1 2.91Å
127L51.7Low57.6Low36 Ų3671.5 Ų71.519%0.18837%0.374CS..Hα-helixtrans-59-46.3178.4-102.982.1000112.5Q45 L123 T129 T130 D131Q45-L127 HydrophobicContact CB-CD2 4.44Å; L123-L127 HydrophobicContact CG-CD1 4.2Å; L123-L127 PolarHBondContact O-N 2.99Å; L123-L127 VanDerWaalsContact O-N 3.11Å; L127-T129 PolarHBondContact O-N 3.17Å; L127-T130 WeakPolarHBondContact CA-OG1 3.34Å; L127-T130 PolarHBondContact O-N 3.42Å; L127-T130 PolarHBondContact O-OG1 3.3Å; L127-D131 PolarHBondContact O-N 3.47Å
128T51.7Low55.6Low77 Ų7777 Ų7747%0.47239%0.39SS..Hα-helixtrans-66.8-37.3-179.741.80000112.4P124 Y125 E126 H132P124-T128 PolarHBondContact O-N 3.14Å; P124-T128 PolarHBondContact O-OG1 3.02Å; Y125-T128 PolarHBondContact O-OG1 3.21Å; E126-T128 PolarHBondContact O-N 2.88Å; T128-H132 WeakPolarHBondContact O-CB 3.41Å; T128-H132 PolarHBondContact O-CD2 3.45Å; T128-H132 PolarHBondContact O-N 3.3Å; T128-H132 VanDerWaalsContact O-N 3.08Å
129T51.6Low53.8Low55 Ų5578.1 Ų78.134%0.33740%0.396SS..Hα-helixtrans-68.9-39.8176.649.40000112.3Y125 E126 L127 H132 L133Y125-T129 HydrophobicContact CD1-CG2 4.29Å; Y125-T129 HydrophobicContact CE1-CG2 3.9Å; Y125-T129 HydrophobicContact CE2-CG2 4.46Å; Y125-T129 WeakPolarHBondContact O-CB 3.49Å; Y125-T129 WeakPolarHBondContact O-CG2 3.31Å; Y125-T129 PolarHBondContact O-N 3.46Å; Y125-T129 VanDerWaalsContact O-N 3.14Å; Y125-T129 PolarHBondContact O-OG1 3Å; E126-T129 WeakPolarHBondContact CA-OG1 3.49Å; E126-T129 PolarHBondContact O-N 3.23Å; E126-T129 PolarHBondContact O-OG1 2.99Å; L127-T129 PolarHBondContact O-N 3.17Å; T129-H132 PolarHBondContact O-N 3.04Å; T129-L133 WeakPolarHBondContact O-CB 3.25Å; T129-L133 PolarHBondContact O-N 2.85Å
130T49.7Very low52.3Low50 Ų5084.4 Ų84.431%0.30743%0.426SS..Hα-helixtrans-67.8-38.8174.235.30000113.3H49 E126 L127 L133 N134H49-T130 PolarHBondContact CD2-OG1 2.97Å; H49-T130 PolarHBondContact NE2-OG1 3.42Å; E126-T130 PolarHBondContact O-N 3.22Å; E126-T130 PolarHBondContact O-OG1 2.91Å; L127-T130 WeakPolarHBondContact CA-OG1 3.34Å; L127-T130 PolarHBondContact O-N 3.42Å; L127-T130 PolarHBondContact O-OG1 3.3Å; T130-L133 PolarHBondContact O-N 3.46Å; T130-N134 WeakPolarHBondContact O-CB 3.37Å; T130-N134 PolarHBondContact O-N 2.76Å
131D45.3Very low50.8Low100 Ų10092.2 Ų92.254%0.53546%0.461SS..Hα-helixtrans-63.8-42.6175.6-97.2-9.6000111.6L127 L133 N134 K135L127-D131 PolarHBondContact O-N 3.47Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 2.86Å; D131-N134 PolarHBondContact O-N 3.31Å; D131-K135 VanDerWaalsContact O-CB 3.23Å; D131-K135 WeakPolarHBondContact O-CB 3.2Å; D131-K135 PolarHBondContact O-N 2.97Å
132H48.5Very low49.3Very low98 Ų9894.6 Ų94.645%0.45446%0.462SS..Hα-helixtrans-62.7-40.4174.2-87.1-67.6000112.1T128 T129 L136T128-H132 WeakPolarHBondContact O-CB 3.41Å; T128-H132 PolarHBondContact O-CD2 3.45Å; T128-H132 PolarHBondContact O-N 3.3Å; T128-H132 VanDerWaalsContact O-N 3.08Å; T129-H132 PolarHBondContact O-N 3.04Å; H132-L136 WeakPolarHBondContact O-CB 3.31Å; H132-L136 WeakPolarHBondContact O-CD1 3.49Å; H132-L136 VanDerWaalsContact O-CG 3.24Å; H132-L136 WeakPolarHBondContact O-CG 3.49Å; H132-L136 PolarHBondContact O-N 3Å
133L48.3Very low47.8Very low111 Ų11196.8 Ų96.858%0.58147%0.472SS*.Hα-helixtrans-66.1-45177.3-108.5155000112.7T129 T130 D131 L136 T137T129-L133 WeakPolarHBondContact O-CB 3.25Å; T129-L133 PolarHBondContact O-N 2.85Å; T130-L133 PolarHBondContact O-N 3.46Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 2.86Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 3.28Å; L133-T137 PolarHBondContact O-N 2.95Å; L133-T137 PolarHBondContact O-OG1 3.16Å
134N47.6Very low46.5Very low87 Ų87102 Ų10247%0.46551%0.506SS..Hα-helixtrans-66.2-38177-81.6-22.5000111.8T130 D131 L136 T137 Y138T130-N134 WeakPolarHBondContact O-CB 3.37Å; T130-N134 PolarHBondContact O-N 2.76Å; D131-N134 PolarHBondContact O-N 3.31Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.09Å; N134-T137 WeakPolarHBondContact CA-OG1 3.43Å; N134-T137 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-OG1 2.86Å; N134-Y138 WeakPolarHBondContact O-CB 3.49Å; N134-Y138 PolarHBondContact O-N 3.48Å
135K50.4Low45.9Very low132 Ų132109 Ų10957%0.57454%0.54SS*.Hα-helixtrans-68.7-32175.2-154.8170.1-172174.50111.9D131 N139D131-K135 VanDerWaalsContact O-CB 3.23Å; D131-K135 WeakPolarHBondContact O-CB 3.2Å; D131-K135 PolarHBondContact O-N 2.97Å; K135-N139 WeakPolarHBondContact O-CB 3.36Å; K135-N139 PolarHBondContact O-N 3.38Å; K135-N139 PolarHBondContact O-ND2 2.77Å; K135-N139 VanDerWaalsContact O-ND2 3.14Å
136L48.4Very low44.8Very low98 Ų98109.4 Ų109.451%0.51355%0.545SS..Hα-helixtrans-69.6-44.3172.6-80.8160.4000112.3H132 L133 N134 Q140H132-L136 WeakPolarHBondContact O-CB 3.31Å; H132-L136 WeakPolarHBondContact O-CD1 3.49Å; H132-L136 VanDerWaalsContact O-CG 3.24Å; H132-L136 WeakPolarHBondContact O-CG 3.49Å; H132-L136 PolarHBondContact O-N 3Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 3.28Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.09Å; L136-Q140 PolarHBondContact O-N 2.91Å; L136-Q140 VanDerWaalsContact O-N 3.15Å
137T44Very low43.7Very low71 Ų71114.1 Ų114.144%0.43657%0.573SS.*Hα-helixtrans-72.3-38178.921.60000112.5L133 N134 N139 Q140 H141L133-T137 PolarHBondContact O-N 2.95Å; L133-T137 PolarHBondContact O-OG1 3.16Å; N134-T137 WeakPolarHBondContact CA-OG1 3.43Å; N134-T137 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-OG1 2.86Å; T137-N139 VanDerWaalsContact C-N 3.34Å; T137-N139 PolarHBondContact O-N 2.97Å; T137-Q140 PolarHBondContact O-N 3.44Å; T137-H141 PolarHBondContact O-N 3.26Å; T137-H141 VanDerWaalsContact O-N 3.17Å
138Y42.5Very low42.8Very low143 Ų143122.7 Ų122.756%0.56160%0.602SS**Hα-helixtrans-64.4-38176.2-169.4-95.1000112.4N134 H141 K142N134-Y138 WeakPolarHBondContact O-CB 3.49Å; N134-Y138 PolarHBondContact O-N 3.48Å; Y138-H141 PolarHBondContact O-N 3.4Å; Y138-K142 HydrophobicContact CE1-CD 4.07Å; Y138-K142 PolarHBondContact OH-NZ 3.07Å
139N43.3Very low41.7Very low98 Ų98128.8 Ų128.852%0.52462%0.622SS.*Hα-helixtrans-74.8-24.9175.7-76.4-27.9000113.4K135 T137K135-N139 WeakPolarHBondContact O-CB 3.36Å; K135-N139 PolarHBondContact O-N 3.38Å; K135-N139 PolarHBondContact O-ND2 2.77Å; K135-N139 VanDerWaalsContact O-ND2 3.14Å; T137-N139 VanDerWaalsContact C-N 3.34Å; T137-N139 PolarHBondContact O-N 2.97Å
140Q43.4Very low40.8Very low149 Ų149132.3 Ų132.370%0.69664%0.638SS**Hα-helixtrans-71.8-33.9172.1-83.1-177-30.100112.5L136 T137 K142L136-Q140 PolarHBondContact O-N 2.91Å; L136-Q140 VanDerWaalsContact O-N 3.15Å; T137-Q140 PolarHBondContact O-N 3.44Å; Q140-K142 VanDerWaalsContact C-N 3.32Å; Q140-K142 PolarHBondContact O-N 3.09Å
141H40.6Very low39.7Very low181 Ų181137.7 Ų137.784%0.83866%0.664SS**Hα-helixtrans-78.1-13.4-178.2-122.9-51.8000114.7T137 Y138T137-H141 PolarHBondContact O-N 3.26Å; T137-H141 VanDerWaalsContact O-N 3.17Å; Y138-H141 PolarHBondContact O-N 3.4Å
142K40.4Very low39Very low140 Ų140139.8 Ų139.861%0.60967%0.673SS**THydrogen-bonded Turntrans-98.50.2178.3-90.2-176.5174.41760115.1Y138 Q140 P144Y138-K142 HydrophobicContact CE1-CD 4.07Å; Y138-K142 PolarHBondContact OH-NZ 3.07Å; Q140-K142 VanDerWaalsContact C-N 3.32Å; Q140-K142 PolarHBondContact O-N 3.09Å; K142-P144 WeakPolarHBondContact O-CD 3.29Å
143Q35.4Very low38.2Very low145 Ų145140.1 Ų140.168%0.67869%0.687SS**  trans-85109.1172.6-74.3-166.8-6.500110.1I145Q143-I145 PolarHBondContact O-N 3.17Å
144P35.3Very low37.3Very low111 Ų111143.6 Ų143.672%0.72170%0.7SS**  trans-61.8127.5167.126.1-31.4000108K142 K146K142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-K146 PolarHBondContact O-N 3.06Å
145I42Very low36.6Very low177 Ų177145 Ų14591%0.90872%0.717SS**SBendtrans-65.178.9170.7-57.1164.9000107.2Q143Q143-I145 PolarHBondContact O-N 3.17Å
146K29.5Very low35.5Very low180 Ų180145.1 Ų145.178%0.78372%0.724SS**SBendtrans-156.9109.4169.6-108.2168.3-173.7-177.60109P144P144-K146 PolarHBondContact O-N 3.06Å
147N28.9Very low34.6Very low158 Ų158146.4 Ų146.485%0.84573%0.731SS**  trans72.475.8161.8-57.8-17.8000117.9
148R32.7Very low33.9Very low216 Ų216149.6 Ų149.682%0.81575%0.746SS**  trans-9483.8154.5-152.7178.5-168177.63.5109.7I150R148-I150 HydrophobicContact CG-CG1 4.08Å; R148-I150 PolarHBondContact O-N 3.07Å
149K28.5Very low33.3Very low204 Ų204151.9 Ų151.989%0.88776%0.761SS**  trans-76.3108.5155-83.1-176.1178.21800106.5L151K149-L151 PolarHBondContact O-N 3.09Å
150I33Very low32.5Very low129 Ų129153.9 Ų153.966%0.66278%0.777SS**  trans-77103.9175.1-60.1172.8000106.9R148 I152R148-I150 HydrophobicContact CG-CG1 4.08Å; R148-I150 PolarHBondContact O-N 3.07Å; I150-I152 HydrophobicContact CG2-CG1 4.02Å
151L26.3Very low31.8Very low164 Ų164154 Ų15486%0.85978%0.781SS**  trans-85112.3166.3-167.578.4000107.5K149 S153K149-L151 PolarHBondContact O-N 3.09Å; L151-S153 PolarHBondContact O-N 3.43Å
152I30.3Very low31.1Very low143 Ų143152.2 Ų152.273%0.73378%0.783SS**  trans-86.6101.5173.8-58.9171.8000106.7I150 Q154I150-I152 HydrophobicContact CG2-CG1 4.02Å; I152-Q154 PolarHBondContact O-N 3.44Å
153S30.5Very low30.5Very low106 Ų106150.7 Ų150.774%0.74179%0.79SS**  trans-81.9104.7167.264.10000109L151L151-S153 PolarHBondContact O-N 3.43Å
154Q29.4Very low30Very low184 Ų184150.7 Ų150.786%0.8680%0.8SS**  trans-76.5121158.4-83.2178.4-36.600108I152I152-Q154 PolarHBondContact O-N 3.44Å
155S33Very low29.6Very low116 Ų116153.1 Ų153.181%0.81181%0.806SS**  trans-133.8122.3160.3-173.70000108.1
156N27.9Very low28.9Very low135 Ų135150.4 Ų150.472%0.72280%0.802SS**  trans-75155.3178-93.52.1000112.1
157D30.1Very low28.8Very low125 Ų125146.6 Ų146.667%0.66880%0.798SS**  trans83.9125.9141.6-65.7-14.4000123.8
158N28.2Very low28.7Very low138 Ų138147.9 Ų147.974%0.73880%0.801SS**  trans7797.7140.9-59.4-15.9000120.1
159Q31Very low28.5Very low190 Ų190145 Ų14589%0.88880%0.801SS**  -170.4130.7128.6-102.8161.426.300113.2
160T25.9Very low28.5Very low141 Ų141144 Ų14487%0.86580%0.799SS**  trans-75.2125.8171.240.60000111.2
161I30Very low28.2Very low152 Ų152145.7 Ų145.778%0.77981%0.808SS**  trans-129.8112.9163.5-57.2178.8000108.8
162T24.6Very low28.4Very low143 Ų143143.1 Ų143.188%0.87780%0.804SS**  trans-69.7127.6164.224.40000109.7
163S27.7Very low28.2Very low107 Ų107146.7 Ų146.775%0.74881%0.808SS**  trans-147.9127.9158.864.10000111.8
164T24.5Very low28Very low146 Ų146148.5 Ų148.590%0.89681%0.81SS**  trans-58.8136.5-169.9-15.30000113.8
165I27.3Very low28Very low162 Ų162148.8 Ų148.883%0.83180%0.804SS**  trans-73.9125.1172.3-63.1164.3000108.5
166S27.5Very low27.9Very low120 Ų120148.5 Ų148.584%0.83980%0.802SS**  trans-112.6118.7157.4-170.50000108.2
167S27.2Very low28.3Very low100 Ų100147.5 Ų147.570%0.69980%0.796SS**  trans-77129-172.351.50000112.5
168M27.6Very low28.5Very low185 Ų185147.1 Ų147.191%0.91180%0.803SS**  trans-149.6133.8145.4-120.7179170.600110.4H170M168-H170 PolarHBondContact O-N 2.87Å
169I27.9Very low29.1Very low156 Ų156149.4 Ų149.480%0.881%0.809SS**  trans-70120.3-159.8-65.4152.8000110.9L171I169-L171 HydrophobicContact CG2-CD1 4.48Å
170H27.8Very low29.3Very low183 Ų183149 Ų14985%0.84780%0.8SS**  trans-114.6111.3161.2-96.7-78.7000109.3M168 S172M168-H170 PolarHBondContact O-N 2.87Å; H170-S172 PolarHBondContact O-N 2.99Å
171L28.2Very low29.9Very low163 Ų163149.2 Ų149.285%0.85379%0.794SS**  trans-54110163.9-101.392000108.7I169 R173I169-L171 HydrophobicContact CG2-CD1 4.48Å; L171-R173 PolarHBondContact O-N 3.27Å
172S29Very low30.1Very low111 Ų111152 Ų15278%0.77680%0.8SS**  trans-75.5111.4167.455.50000108.9H170H170-S172 PolarHBondContact O-N 2.99Å
173R27.2Very low30.9Very low217 Ų217151.3 Ų151.382%0.81979%0.786SS**  trans-102.6100.9162.3-169169.8165.1173.6-6.2107.9L171 Y175L171-R173 PolarHBondContact O-N 3.27Å; R173-Y175 PolarHBondContact O-N 3.04Å
174N27Very low31.2Very low145 Ų145157 Ų15778%0.77579%0.791SS**  trans-51.9117.8174.8-91.1-28.5000112.1
175Y28.3Very low31.7Very low190 Ų190159.3 Ų159.375%0.74579%0.788SS**  trans-138.7102.2148.2-91.9-86.3000108.8R173R173-Y175 PolarHBondContact O-N 3.04Å
176S30.4Very low32Very low109 Ų109159.3 Ų159.376%0.76279%0.79SS**  trans32.687.3155620000118.3
177L36.1Very low32.7Very low115 Ų115158.5 Ų158.560%0.60278%0.776SS**  trans-149.555.9164.4-140.6108.7000112.9Q179 W180L177-Q179 PolarHBondContact O-N 3.4Å; L177-W180 HydrophobicContact CD2-CB 3.48Å; L177-W180 VanDerWaalsContact CD2-CB 3.48Å; L177-W180 HydrophobicContact CD2-CD2 4.33Å; L177-W180 HydrophobicContact CD2-CG 3.4Å; L177-W180 PolarHBondContact O-N 3.43Å
178S35.8Very low32.8Very low117 Ų117160.7 Ų160.782%0.81878%0.78SS**THydrogen-bonded Turntrans-67.99.4172.650.50000114.4
179Q40.2Very low33.1Very low185 Ų185160.7 Ų160.786%0.86478%0.777SS**THydrogen-bonded Turntrans-101.1-4.1173.2-78.1-174.7-10.700115L177L177-Q179 PolarHBondContact O-N 3.4Å
180W34.6Very low33.4Very low183 Ų183157.7 Ų157.769%0.69376%0.762SS**G310 helixtrans-84.1-11.4-178.2-124.550.2000116L177 K182 F183L177-W180 HydrophobicContact CD2-CB 3.48Å; L177-W180 VanDerWaalsContact CD2-CB 3.48Å; L177-W180 HydrophobicContact CD2-CD2 4.33Å; L177-W180 HydrophobicContact CD2-CG 3.4Å; L177-W180 PolarHBondContact O-N 3.43Å; W180-K182 PolarHBondContact O-N 2.91Å; W180-K182 VanDerWaalsContact O-N 3.16Å; W180-F183 PolarHBondContact O-N 3.06Å
181I39.1Very low33.6Very low144 Ų144156.9 Ų156.974%0.73876%0.759SS**G310 helixtrans-74.1-11.2-168.2-63.7173.2000112.8
182K35Very low33.8Very low210 Ų210157.3 Ų157.391%0.91376%0.756SS**G310 helixtrans-90.7-5.2173-93.1-177.8177.6177.40115.6W180 R184W180-K182 PolarHBondContact O-N 2.91Å; W180-K182 VanDerWaalsContact O-N 3.16Å; K182-R184 VanDerWaalsContact C-N 3.29Å; K182-R184 PolarHBondContact O-N 3.27Å
183F39.8Very low34Very low130 Ų130158.2 Ų158.257%0.5775%0.752SS**SBendtrans-85.60-179.4-134.8-92.2000113.9W180 K185 L187W180-F183 PolarHBondContact O-N 3.06Å; F183-K185 PolarHBondContact O-N 2.89Å; F183-L187 HydrophobicContact CD1-CD1 4Å; F183-L187 HydrophobicContact CE1-CD1 4.24Å
184R34.5Very low34.2Very low226 Ų226154.3 Ų154.385%0.85375%0.747SS**THydrogen-bonded Turntrans-88.216.8-160.9-143.5-175.9-173.6-167.91.7116.9K182K182-R184 VanDerWaalsContact C-N 3.29Å; K182-R184 PolarHBondContact O-N 3.27Å
185K36.2Very low34.6Very low194 Ų194153.7 Ų153.784%0.84374%0.735SS**THydrogen-bonded Turntrans-126.70.2-177.9-89.2-170.3175.2-174.20117.5F183F183-K185 PolarHBondContact O-N 2.89Å
186N33.4Very low34.7Very low162 Ų162151.9 Ų151.987%0.86674%0.738SS**SBendtrans-12718.1-178.7-113.90.3000115.3N188N186-N188 VanDerWaalsContact C-N 3.33Å; N186-N188 PolarHBondContact O-N 2.71Å
187L41.6Very low35.1Very low104 Ų104147.9 Ų147.955%0.54571%0.714SS.*  trans-93.523.5179.8-118.8112.6000113.5F183 H189 L190F183-L187 HydrophobicContact CD1-CD1 4Å; F183-L187 HydrophobicContact CE1-CD1 4.24Å; L187-H189 PolarHBondContact O-N 2.75Å; L187-H189 VanDerWaalsContact O-N 3.12Å; L187-L190 HydrophobicContact CD2-CB 4.38Å
188N29.2Very low35.3Very low145 Ų145149.2 Ų149.278%0.77572%0.722SS**THydrogen-bonded Turntrans-78.614.4-173.8-74.51.6000115.2N186N186-N188 VanDerWaalsContact C-N 3.33Å; N186-N188 PolarHBondContact O-N 2.71Å
189H33.8Very low36.1Very low185 Ų185148.8 Ų148.886%0.85670%0.703SS**THydrogen-bonded Turntrans-145.517.2178-89.6-53.5000115L187 E191L187-H189 PolarHBondContact O-N 2.75Å; L187-H189 VanDerWaalsContact O-N 3.12Å; H189-E191 PolarHBondContact O-N 3.32Å; H189-E191 VanDerWaalsContact O-N 3.15Å
190L33.2Very low37Very low93 Ų93146.2 Ų146.249%0.48769%0.694SS.*SBendtrans-81.3100.1166.1-143.380.5000106.8L187 H192L187-L190 HydrophobicContact CD2-CB 4.38Å; L190-H192 PolarHBondContact O-N 3.38Å
191E32.1Very low38.9Very low166 Ų166139.9 Ų139.978%0.77667%0.672SS**  trans-32.6117.6166.9-82.1169139.900109.2H189 L193H189-E191 PolarHBondContact O-N 3.32Å; H189-E191 VanDerWaalsContact O-N 3.15Å; E191-L193 PolarHBondContact O-N 3.23Å
192H33.7Very low40.8Very low172 Ų172133.3 Ų133.380%0.79664%0.64SS**  trans-5880.3151.3-83.3-83.9000106.5L190 N194L190-H192 PolarHBondContact O-N 3.38Å; H192-N194 PolarHBondContact O-N 3.18Å
193L33.7Very low43.2Very low131 Ų131129 Ų12969%0.68662%0.618SS**  trans-59.182.1146.3-92.6155.3000104.1E191 Y195E191-L193 PolarHBondContact O-N 3.23Å; L193-Y195 HydrophobicContact CB-CD2 4.49Å; L193-Y195 PolarHBondContact O-N 3.49Å
194N30.1Very low45.4Very low134 Ų134122.8 Ų122.872%0.71759%0.591SS**  trans-56.482.9156.3-83.5-19.4000104.8H192 N196H192-N194 PolarHBondContact O-N 3.18Å; N194-N196 PolarHBondContact O-N 3.47Å
195Y36.1Very low47.9Very low132 Ų132112.9 Ų112.952%0.51855%0.553SS.*  trans-65.776.2159.2-115.1-91.9000105.1Q45 L193 G197Q45-Y195 PolarHBondContact NE2-OH 3.46Å; Q45-Y195 VanDerWaalsContact NE2-OH 3.09Å; L193-Y195 HydrophobicContact CB-CD2 4.49Å; L193-Y195 PolarHBondContact O-N 3.49Å; Y195-G197 PolarHBondContact O-N 2.67Å
196N30.5Very low50.5Low153 Ų153110.1 Ų110.182%0.81854%0.538SS*.  trans-70.156.1154.7-122.512.3000106.2N194 N198N194-N196 PolarHBondContact O-N 3.47Å; N196-N198 VanDerWaalsContact C-N 3.28Å; N196-N198 PolarHBondContact O-N 3.06Å
197G38.4Very low53.3Low25 Ų25105.6 Ų105.626%0.25851%0.511SS..  trans-71.195.1171.500000105.1Y195 Y199Y195-G197 PolarHBondContact O-N 2.67Å; G197-Y199 WeakPolarHBondContact O-CD2 3.29Å; G197-Y199 VanDerWaalsContact O-CE2 3.28Å; G197-Y199 WeakPolarHBondContact O-CE2 3.5Å; G197-Y199 PolarHBondContact O-N 2.91Å
198N39.8Very low55.7Low143 Ų143100.7 Ų100.777%0.76549%0.485SS*.  trans-58.790.6151.9-82.5-21.9000105.3N196 L200N196-N198 VanDerWaalsContact C-N 3.28Å; N196-N198 PolarHBondContact O-N 3.06Å; N198-L200 VanDerWaalsContact C-N 3.25Å; N198-L200 HydrophobicContact CB-CD1 4.34Å; N198-L200 PolarHBondContact O-N 3.25Å
199Y52.6Low58.7Low108 Ų10894.6 Ų94.642%0.42446%0.455SS..  trans-59.890.6-179.8-61.7-82.6000107.7Y42 P124 G197 F201Y42-Y199 HydrophobicContact CE2-CD1 4.24Å; Y42-Y199 WeakPolarHBondContact OH-CE1 3.49Å; P124-Y199 HydrophobicContact CG-CE1 4.23Å; G197-Y199 WeakPolarHBondContact O-CD2 3.29Å; G197-Y199 VanDerWaalsContact O-CE2 3.28Å; G197-Y199 WeakPolarHBondContact O-CE2 3.5Å; G197-Y199 PolarHBondContact O-N 2.91Å; Y199-F201 PolarHBondContact O-N 3.2Å
200L60.2Low61.6Low131 Ų13188.7 Ų88.769%0.68643%0.432SS*.  trans-80.295.4-177.8-120.988.4000107.5N198 G202N198-L200 VanDerWaalsContact C-N 3.25Å; N198-L200 HydrophobicContact CB-CD1 4.34Å; N198-L200 PolarHBondContact O-N 3.25Å; L200-G202 PolarHBondContact O-N 2.94Å
201F74.3Confident64.4Low49 Ų4984.3 Ų84.322%0.21541%0.409CS..  trans-44.7128.5161.4-68.3-88.4000108.9L120 Y199 Y205 W206L120-F201 HydrophobicContact CB-CE1 4.21Å; L120-F201 HydrophobicContact CD1-CD1 3.16Å; L120-F201 HydrophobicContact CD1-CE1 3.27Å; L120-F201 HydrophobicContact CD1-CG 4.13Å; L120-F201 HydrophobicContact CD1-CZ 4.3Å; L120-F201 HydrophobicContact CG-CE1 4.35Å; Y199-F201 PolarHBondContact O-N 3.2Å; F201-Y205 HydrophobicContact CB-CD1 3.59Å; F201-Y205 HydrophobicContact CB-CE1 4.04Å; F201-Y205 HydrophobicContact CB-CG 4.25Å; F201-Y205 AromaticContact CD1-CD1 3.56Å; F201-Y205 HydrophobicContact CD1-CD1 3.56Å; F201-Y205 HydrophobicContact CD1-CD2 4.24Å; F201-Y205 AromaticContact CD1-CE1 3.36Å; F201-Y205 HydrophobicContact CD1-CE1 3.36Å; F201-Y205 HydrophobicContact CD1-CE2 4.08Å; F201-Y205 AromaticContact CD1-CG 3.98Å; F201-Y205 HydrophobicContact CD1-CG 3.98Å; F201-Y205 AromaticContact CD1-CZ 3.64Å; F201-Y205 HydrophobicContact CE1-CD1 4.49Å; F201-Y205 AromaticContact CE1-CE1 3.91Å; F201-Y205 HydrophobicContact CE1-CE1 3.91Å; F201-Y205 HydrophobicContact CE1-CE2 4.3Å; F201-Y205 AromaticContact CE1-CZ 3.78Å; F201-Y205 AromaticContact CG-CD1 3.8Å; F201-Y205 HydrophobicContact CG-CD1 3.8Å; F201-Y205 AromaticContact CG-CE1 3.74Å; F201-Y205 HydrophobicContact CG-CE1 3.74Å; F201-W206 HydrophobicContact CB-CZ2 3.91Å; F201-W206 HydrophobicContact CD2-CH2 4.48Å; F201-W206 AromaticContact CD2-CZ2 3.9Å; F201-W206 HydrophobicContact CD2-CZ2 3.9Å; F201-W206 HydrophobicContact CG-CZ2 4.17Å; F201-W206 PolarHBondContact O-NE1 2.71Å; F201-W206 VanDerWaalsContact O-NE1 3.16Å
202G77.8Confident67.3Low7 Ų776.7 Ų76.77%0.07237%0.374CS..  trans-61.7152.5-178.300000111.3S36 W37 L200 A204 Y205S36-G202 CarbonylContact O-C 3.29Å; S36-G202 VanDerWaalsContact O-CA 3.28Å; S36-G202 WeakPolarHBondContact O-CA 3.35Å; W37-G202 WeakPolarHBondContact O-CA 3.49Å; W37-G202 PolarHBondContact O-N 3.26Å; L200-G202 PolarHBondContact O-N 2.94Å; G202-A204 PolarHBondContact O-N 3.36Å; G202-A204 VanDerWaalsContact O-N 3.12Å; G202-Y205 WeakPolarHBondContact O-CB 3.28Å; G202-Y205 PolarHBondContact O-N 2.69Å
203W86.4Confident70.2Confident118 Ų11872.4 Ų72.445%0.44736%0.36SS..Hα-helixtrans-55.5-36.9-174.367.9-93.3000112.3I29 F33 S36 Y205 W206 F207I29-W203 HydrophobicContact CG2-CH2 4.48Å; I29-W203 HydrophobicContact CG2-CZ3 4.22Å; F33-W203 HydrophobicContact CB-CH2 3.58Å; F33-W203 HydrophobicContact CB-CZ2 3.63Å; F33-W203 HydrophobicContact CD1-CH2 4.06Å; F33-W203 AromaticContact CD1-CZ2 3.86Å; F33-W203 HydrophobicContact CD1-CZ2 3.86Å; F33-W203 AromaticContact CD2-CH2 3.56Å; F33-W203 HydrophobicContact CD2-CH2 3.56Å; F33-W203 HydrophobicContact CD2-CZ2 4.2Å; F33-W203 HydrophobicContact CE2-CH2 4.23Å; F33-W203 AromaticContact CG-CH2 3.46Å; F33-W203 HydrophobicContact CG-CH2 3.46Å; F33-W203 VanDerWaalsContact CG-CH2 3.46Å; F33-W203 AromaticContact CG-CZ2 3.64Å; F33-W203 HydrophobicContact CG-CZ2 3.64Å; S36-W203 VanDerWaalsContact CB-NE1 3.32Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.22Å; W203-W206 WeakPolarHBondContact O-CB 2.99Å; W203-W206 PolarHBondContact O-N 2.78Å; W203-W206 VanDerWaalsContact O-N 3.14Å; W203-F207 AromaticContact CE3-CD2 3.48Å; W203-F207 HydrophobicContact CE3-CD2 3.48Å; W203-F207 VanDerWaalsContact CE3-CD2 3.48Å; W203-F207 AromaticContact CE3-CE2 3.48Å; W203-F207 HydrophobicContact CE3-CE2 3.48Å; W203-F207 VanDerWaalsContact CE3-CE2 3.48Å; W203-F207 AromaticContact CZ3-CD2 3.75Å; W203-F207 HydrophobicContact CZ3-CD2 3.75Å; W203-F207 AromaticContact CZ3-CE2 3.76Å; W203-F207 HydrophobicContact CZ3-CE2 3.76Å; W203-F207 WeakPolarHBondContact O-CD2 3.39Å; W203-F207 PolarHBondContact O-N 3.24Å
204A86.6Confident73Confident0 Ų068.8 Ų68.80%034%0.339CS..Hα-helixtrans-66.2-31.6-17900000112.7S30 F33 W37 G202 W206 F207 C208S30-A204 WeakPolarHBondContact CB-O 3.27Å; S30-A204 PolarHBondContact OG-O 3.49Å; F33-A204 HydrophobicContact CB-CB 4.16Å; F33-A204 WeakPolarHBondContact O-CB 3.49Å; W37-A204 VanDerWaalsContact CD1-CB 3.47Å; W37-A204 HydrophobicContact CG-CB 4.36Å; G202-A204 PolarHBondContact O-N 3.36Å; G202-A204 VanDerWaalsContact O-N 3.12Å; A204-W206 VanDerWaalsContact C-N 3.32Å; A204-W206 PolarHBondContact O-N 3.31Å; A204-F207 PolarHBondContact O-N 3.06Å; A204-C208 PolarHBondContact O-N 3.3Å
205Y87.1Confident76Confident18 Ų1862.4 Ų62.47%0.07131%0.305CS..Hα-helixtrans-61.2-42.9173.2167.1-91.4000110.9W37 V113 W116 F201 G202 W203 F207 C208 A209W37-Y205 AromaticContact CE3-CD2 3.69Å; W37-Y205 HydrophobicContact CE3-CD2 3.69Å; W37-Y205 HydrophobicContact CE3-CG 4.32Å; W37-Y205 AromaticContact CZ3-CD2 3.78Å; W37-Y205 HydrophobicContact CZ3-CD2 3.78Å; V113-Y205 HydrophobicContact CB-CE2 4.44Å; V113-Y205 HydrophobicContact CG1-CE2 3.89Å; V113-Y205 WeakPolarHBondContact CG1-OH 3.5Å; W116-Y205 HydrophobicContact CB-CD2 3.78Å; W116-Y205 HydrophobicContact CB-CE2 3.69Å; W116-Y205 HydrophobicContact CG-CD2 4.4Å; F201-Y205 HydrophobicContact CB-CD1 3.59Å; F201-Y205 HydrophobicContact CB-CE1 4.04Å; F201-Y205 HydrophobicContact CB-CG 4.25Å; F201-Y205 AromaticContact CD1-CD1 3.56Å; F201-Y205 HydrophobicContact CD1-CD1 3.56Å; F201-Y205 HydrophobicContact CD1-CD2 4.24Å; F201-Y205 AromaticContact CD1-CE1 3.36Å; F201-Y205 HydrophobicContact CD1-CE1 3.36Å; F201-Y205 HydrophobicContact CD1-CE2 4.08Å; F201-Y205 AromaticContact CD1-CG 3.98Å; F201-Y205 HydrophobicContact CD1-CG 3.98Å; F201-Y205 AromaticContact CD1-CZ 3.64Å; F201-Y205 HydrophobicContact CE1-CD1 4.49Å; F201-Y205 AromaticContact CE1-CE1 3.91Å; F201-Y205 HydrophobicContact CE1-CE1 3.91Å; F201-Y205 HydrophobicContact CE1-CE2 4.3Å; F201-Y205 AromaticContact CE1-CZ 3.78Å; F201-Y205 AromaticContact CG-CD1 3.8Å; F201-Y205 HydrophobicContact CG-CD1 3.8Å; F201-Y205 AromaticContact CG-CE1 3.74Å; F201-Y205 HydrophobicContact CG-CE1 3.74Å; G202-Y205 WeakPolarHBondContact O-CB 3.28Å; G202-Y205 PolarHBondContact O-N 2.69Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.22Å; Y205-F207 VanDerWaalsContact C-N 3.29Å; Y205-F207 PolarHBondContact O-N 3.38Å; Y205-C208 WeakPolarHBondContact O-CB 3.28Å; Y205-C208 PolarHBondContact O-N 3.3Å; Y205-A209 PolarHBondContact O-N 3.25Å
206W90.1Very high78.7Confident136 Ų13660.8 Ų60.852%0.51530%0.3SS..Hα-helixtrans-63.7-34.3178.3-65.9107.6000112.5F201 W203 A204 C208 A209 V210F201-W206 HydrophobicContact CB-CZ2 3.91Å; F201-W206 HydrophobicContact CD2-CH2 4.48Å; F201-W206 AromaticContact CD2-CZ2 3.9Å; F201-W206 HydrophobicContact CD2-CZ2 3.9Å; F201-W206 HydrophobicContact CG-CZ2 4.17Å; F201-W206 PolarHBondContact O-NE1 2.71Å; F201-W206 VanDerWaalsContact O-NE1 3.16Å; W203-W206 WeakPolarHBondContact O-CB 2.99Å; W203-W206 PolarHBondContact O-N 2.78Å; W203-W206 VanDerWaalsContact O-N 3.14Å; A204-W206 VanDerWaalsContact C-N 3.32Å; A204-W206 PolarHBondContact O-N 3.31Å; W206-C208 VanDerWaalsContact C-N 3.32Å; W206-C208 PolarHBondContact O-N 2.93Å; W206-A209 HydrophobicContact CE3-CB 4.47Å; W206-A209 PolarHBondContact O-N 3.08Å; W206-V210 WeakPolarHBondContact O-CB 3.39Å; W206-V210 VanDerWaalsContact O-CG2 3.23Å; W206-V210 WeakPolarHBondContact O-CG2 3.48Å; W206-V210 PolarHBondContact O-N 2.75Å
207F91.8Very high81.7Confident68 Ų6856.8 Ų56.830%0.29828%0.279SS..Hα-helixtrans-62.3-38.8171.9-84-91.2000112.3F26 W203 A204 Y205 S211F26-F207 HydrophobicContact CB-CD1 4.09Å; F26-F207 AromaticContact CD1-CD1 3.45Å; F26-F207 HydrophobicContact CD1-CD1 3.45Å; F26-F207 VanDerWaalsContact CD1-CD1 3.45Å; F26-F207 AromaticContact CD1-CE1 3.59Å; F26-F207 HydrophobicContact CD1-CE1 3.59Å; F26-F207 HydrophobicContact CE1-CD1 4.05Å; F26-F207 AromaticContact CE1-CE1 3.71Å; F26-F207 HydrophobicContact CE1-CE1 3.71Å; F26-F207 AromaticContact CG-CD1 3.9Å; F26-F207 HydrophobicContact CG-CD1 3.9Å; F26-F207 HydrophobicContact CG-CE1 4.41Å; W203-F207 AromaticContact CE3-CD2 3.48Å; W203-F207 HydrophobicContact CE3-CD2 3.48Å; W203-F207 VanDerWaalsContact CE3-CD2 3.48Å; W203-F207 AromaticContact CE3-CE2 3.48Å; W203-F207 HydrophobicContact CE3-CE2 3.48Å; W203-F207 VanDerWaalsContact CE3-CE2 3.48Å; W203-F207 AromaticContact CZ3-CD2 3.75Å; W203-F207 HydrophobicContact CZ3-CD2 3.75Å; W203-F207 AromaticContact CZ3-CE2 3.76Å; W203-F207 HydrophobicContact CZ3-CE2 3.76Å; W203-F207 WeakPolarHBondContact O-CD2 3.39Å; W203-F207 PolarHBondContact O-N 3.24Å; A204-F207 PolarHBondContact O-N 3.06Å; Y205-F207 VanDerWaalsContact C-N 3.29Å; Y205-F207 PolarHBondContact O-N 3.38Å; F207-S211 WeakPolarHBondContact O-CB 3.41Å; F207-S211 PolarHBondContact O-N 3.16Å
208C91.6Very high84.2Confident0 Ų055.7 Ų55.70%027%0.267CS..Hα-helixtrans-67-42.7173.6-168.50000111.7S30 W37 V113 A204 Y205 W206 S211 A212S30-C208 WeakPolarHBondContact OG-CB 3.47Å; W37-C208 HydrophobicContact CH2-CB 3.46Å; W37-C208 VanDerWaalsContact CH2-CB 3.46Å; W37-C208 VanDerWaalsContact CH2-SG 3.55Å; W37-C208 HydrophobicContact CZ2-CB 3.65Å; W37-C208 HydrophobicContact CZ3-CB 4.26Å; V113-C208 HydrophobicContact CG2-CB 4.2Å; A204-C208 PolarHBondContact O-N 3.3Å; Y205-C208 WeakPolarHBondContact O-CB 3.28Å; Y205-C208 PolarHBondContact O-N 3.3Å; W206-C208 VanDerWaalsContact C-N 3.32Å; W206-C208 PolarHBondContact O-N 2.93Å; C208-S211 WeakPolarHBondContact O-CB 3.21Å; C208-S211 PolarHBondContact O-N 3.43Å; C208-A212 PolarHBondContact O-N 2.98Å
209A92.5Very high86.6Confident18 Ų1849.5 Ų49.515%0.14923%0.234CC..Hα-helixtrans-61.4-47.1177.300000111.5V113 Y205 W206 S211 A212 V213V113-A209 HydrophobicContact CG1-CB 4.41Å; V113-A209 HydrophobicContact CG2-CB 4.38Å; Y205-A209 PolarHBondContact O-N 3.25Å; W206-A209 HydrophobicContact CE3-CB 4.47Å; W206-A209 PolarHBondContact O-N 3.08Å; A209-S211 VanDerWaalsContact C-N 3.31Å; A209-S211 PolarHBondContact O-N 3.5Å; A209-A212 WeakPolarHBondContact O-CB 3.4Å; A209-A212 PolarHBondContact O-N 3.3Å; A209-A212 VanDerWaalsContact O-N 3.12Å; A209-V213 WeakPolarHBondContact O-CG2 3.38Å; A209-V213 PolarHBondContact O-N 3.02Å
210V94.3Very high88.4Confident61 Ų6147.9 Ų47.937%0.3723%0.232SC..Hα-helixtrans-61.6-39.9175.2169.60000110.9F26 W206 A212 V213 F214F26-V210 HydrophobicContact CD2-CG1 4.07Å; F26-V210 HydrophobicContact CE2-CG1 4.34Å; W206-V210 WeakPolarHBondContact O-CB 3.39Å; W206-V210 VanDerWaalsContact O-CG2 3.23Å; W206-V210 WeakPolarHBondContact O-CG2 3.48Å; W206-V210 PolarHBondContact O-N 2.75Å; V210-A212 VanDerWaalsContact C-N 3.35Å; V210-A212 PolarHBondContact O-N 3.4Å; V210-V213 WeakPolarHBondContact O-CB 3.34Å; V210-V213 PolarHBondContact O-N 2.8Å; V210-F214 HydrophobicContact CG1-CD2 3.66Å; V210-F214 HydrophobicContact CG1-CE2 3.29Å; V210-F214 HydrophobicContact CG1-CZ 4.26Å; V210-F214 VanDerWaalsContact O-CD2 3.26Å; V210-F214 WeakPolarHBondContact O-CD2 3.5Å; V210-F214 PolarHBondContact O-N 3.14Å
211S93.5Very high89.8Confident0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-59.8-43.6172.5178.20000112.4G23 A27 L109 F207 C208 A209 V213 F214 S215G23-S211 VanDerWaalsContact C-OG 3.24Å; G23-S211 WeakPolarHBondContact O-CB 3.35Å; G23-S211 PolarHBondContact O-OG 3.05Å; A27-S211 WeakPolarHBondContact CB-OG 3.42Å; L109-S211 VanDerWaalsContact CD1-OG 3.26Å; L109-S211 WeakPolarHBondContact CD1-OG 3.47Å; F207-S211 WeakPolarHBondContact O-CB 3.41Å; F207-S211 PolarHBondContact O-N 3.16Å; C208-S211 WeakPolarHBondContact O-CB 3.21Å; C208-S211 PolarHBondContact O-N 3.43Å; A209-S211 VanDerWaalsContact C-N 3.31Å; A209-S211 PolarHBondContact O-N 3.5Å; S211-V213 VanDerWaalsContact C-N 3.28Å; S211-V213 PolarHBondContact O-N 3.11Å; S211-F214 PolarHBondContact O-N 2.98Å; S211-S215 PolarHBondContact O-N 2.83Å; S211-S215 PolarHBondContact O-OG 2.92Å
212A92.4Very high90.3Very high6 Ų643.3 Ų43.35%0.0521%0.208CC..Hα-helixtrans-62.2-38.8177.500000111.1F106 L109 C208 A209 V210 S215 F216F106-A212 WeakPolarHBondContact CD2-O 3.38Å; L109-A212 HydrophobicContact CB-CB 4.05Å; C208-A212 PolarHBondContact O-N 2.98Å; A209-A212 WeakPolarHBondContact O-CB 3.4Å; A209-A212 PolarHBondContact O-N 3.3Å; A209-A212 VanDerWaalsContact O-N 3.12Å; V210-A212 VanDerWaalsContact C-N 3.35Å; V210-A212 PolarHBondContact O-N 3.4Å; A212-S215 PolarHBondContact O-N 3.15Å; A212-F216 WeakPolarHBondContact O-CB 3.45Å; A212-F216 PolarHBondContact O-N 3.21Å
213V94.3Very high90.7Very high82 Ų8247.5 Ų47.550%0.49723%0.228SC..Hα-helixtrans-63.4-45174.5174.50000111.5A209 V210 S211 S215 F216 L217A209-V213 WeakPolarHBondContact O-CG2 3.38Å; A209-V213 PolarHBondContact O-N 3.02Å; V210-V213 WeakPolarHBondContact O-CB 3.34Å; V210-V213 PolarHBondContact O-N 2.8Å; S211-V213 VanDerWaalsContact C-N 3.28Å; S211-V213 PolarHBondContact O-N 3.11Å; V213-S215 VanDerWaalsContact C-N 3.34Å; V213-S215 PolarHBondContact O-N 3.06Å; V213-F216 WeakPolarHBondContact O-CB 3.39Å; V213-F216 PolarHBondContact O-N 3.08Å; V213-L217 HydrophobicContact CG1-CD1 4.18Å; V213-L217 HydrophobicContact CG1-CG 4.49Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 3.48Å
214F92.9Very high90.5Very high56 Ų5647.2 Ų47.225%0.24623%0.234CC..Hα-helixtrans-63.5-40.1176.8-76.5-53.4000112.6L19 I22 F26 V210 S211 F216 L217 S218L19-F214 HydrophobicContact CD2-CD1 3.45Å; L19-F214 VanDerWaalsContact CD2-CD1 3.45Å; L19-F214 HydrophobicContact CD2-CE1 4.02Å; L19-F214 HydrophobicContact CD2-CG 4.42Å; I22-F214 HydrophobicContact CG2-CD2 4.43Å; I22-F214 HydrophobicContact CG2-CE2 4.3Å; F26-F214 AromaticContact CD2-CD2 3.93Å; F26-F214 HydrophobicContact CD2-CD2 3.93Å; F26-F214 AromaticContact CD2-CE2 3.75Å; F26-F214 HydrophobicContact CD2-CE2 3.75Å; F26-F214 HydrophobicContact CE2-CD2 4.2Å; F26-F214 AromaticContact CE2-CE2 3.57Å; F26-F214 HydrophobicContact CE2-CE2 3.57Å; F26-F214 HydrophobicContact CE2-CZ 4.46Å; V210-F214 HydrophobicContact CG1-CD2 3.66Å; V210-F214 HydrophobicContact CG1-CE2 3.29Å; V210-F214 HydrophobicContact CG1-CZ 4.26Å; V210-F214 VanDerWaalsContact O-CD2 3.26Å; V210-F214 WeakPolarHBondContact O-CD2 3.5Å; V210-F214 PolarHBondContact O-N 3.14Å; S211-F214 PolarHBondContact O-N 2.98Å; F214-F216 VanDerWaalsContact C-N 3.33Å; F214-F216 PolarHBondContact O-N 3.18Å; F214-L217 HydrophobicContact CD1-CD1 4.49Å; F214-L217 PolarHBondContact O-N 2.99Å; F214-S218 WeakPolarHBondContact O-CB 3.48Å; F214-S218 PolarHBondContact O-N 3.47Å
215S91.9Very high90Very high0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-64.4-37.9173.8-66.60000112C72 S211 A212 V213 S218 N219C72-S215 PolarHBondContact SG-OG 3.37Å; C72-S215 VanDerWaalsContact SG-OG 3.37Å; S211-S215 PolarHBondContact O-N 2.83Å; S211-S215 PolarHBondContact O-OG 2.92Å; A212-S215 PolarHBondContact O-N 3.15Å; V213-S215 VanDerWaalsContact C-N 3.34Å; V213-S215 PolarHBondContact O-N 3.06Å; S215-S218 WeakPolarHBondContact O-CB 3.5Å; S215-S218 PolarHBondContact O-N 3.24Å; S215-N219 VanDerWaalsContact O-CG 3.22Å; S215-N219 PolarHBondContact O-N 3.5Å; S215-N219 PolarHBondContact O-ND2 3.32Å
216F93.2Very high88.9Confident97 Ų9754.3 Ų54.343%0.42526%0.264SS..Hα-helixtrans-61.4-49.7172.9177.4-103.7000111.8F106 A212 V213 F214 S218 N219 L220F106-F216 HydrophobicContact CD2-CB 4.07Å; F106-F216 HydrophobicContact CE1-CD2 4.39Å; F106-F216 HydrophobicContact CE2-CB 3.66Å; F106-F216 HydrophobicContact CE2-CD2 4.2Å; F106-F216 HydrophobicContact CE2-CG 4.37Å; F106-F216 HydrophobicContact CZ-CB 4.22Å; F106-F216 AromaticContact CZ-CD2 3.88Å; F106-F216 HydrophobicContact CZ-CD2 3.88Å; F106-F216 HydrophobicContact CZ-CG 4.47Å; A212-F216 WeakPolarHBondContact O-CB 3.45Å; A212-F216 PolarHBondContact O-N 3.21Å; V213-F216 WeakPolarHBondContact O-CB 3.39Å; V213-F216 PolarHBondContact O-N 3.08Å; F214-F216 VanDerWaalsContact C-N 3.33Å; F214-F216 PolarHBondContact O-N 3.18Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 3.02Å; F216-N219 PolarHBondContact O-N 3.12Å; F216-N219 VanDerWaalsContact O-N 3.16Å; F216-L220 HydrophobicContact CE1-CD1 3.69Å; F216-L220 HydrophobicContact CE2-CD1 4.48Å; F216-L220 HydrophobicContact CZ-CD1 3.61Å; F216-L220 WeakPolarHBondContact O-CB 3.47Å; F216-L220 PolarHBondContact O-N 3.47Å
217L93.2Very high87.3Confident70 Ų7053.9 Ų53.937%0.36627%0.272SS..Hα-helixtrans-61.4-41178.2-70.6172.4000111.8L19 V213 F214 N219 L220 I221L19-L217 HydrophobicContact CD2-CB 4.49Å; V213-L217 HydrophobicContact CG1-CD1 4.18Å; V213-L217 HydrophobicContact CG1-CG 4.49Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 3.48Å; F214-L217 HydrophobicContact CD1-CD1 4.49Å; F214-L217 PolarHBondContact O-N 2.99Å; L217-N219 VanDerWaalsContact C-N 3.35Å; L217-N219 PolarHBondContact O-N 2.93Å; L217-L220 PolarHBondContact O-N 3.48Å; L217-I221 WeakPolarHBondContact O-CB 3.48Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.45Å; L217-I221 PolarHBondContact O-N 2.86Å
218S90.8Very high85.5Confident1 Ų154.1 Ų54.11%0.00728%0.281CS..Hα-helixtrans-56.9-47.8173.2175.40000111.6I16 F214 S215 F216 Y222I16-S218 WeakPolarHBondContact CG2-OG 3.42Å; I16-S218 PolarHBondContact O-OG 3.33Å; F214-S218 WeakPolarHBondContact O-CB 3.48Å; F214-S218 PolarHBondContact O-N 3.47Å; S215-S218 WeakPolarHBondContact O-CB 3.5Å; S215-S218 PolarHBondContact O-N 3.24Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 3.02Å; S218-Y222 WeakPolarHBondContact O-CB 3.45Å; S218-Y222 PolarHBondContact O-N 3.23Å
219N91.1Very high83.8Confident13 Ų1357.6 Ų57.67%0.0730%0.298CS..Hα-helixtrans-64.7-40.4177.7-69.5-25.1000111.9S102 S215 F216 L217 Y222 L223S102-N219 VanDerWaalsContact CB-OD1 3.27Å; S102-N219 WeakPolarHBondContact CB-OD1 3.33Å; S102-N219 PolarHBondContact OG-OD1 3.38Å; S215-N219 VanDerWaalsContact O-CG 3.22Å; S215-N219 PolarHBondContact O-N 3.5Å; S215-N219 PolarHBondContact O-ND2 3.32Å; F216-N219 PolarHBondContact O-N 3.12Å; F216-N219 VanDerWaalsContact O-N 3.16Å; L217-N219 VanDerWaalsContact C-N 3.35Å; L217-N219 PolarHBondContact O-N 2.93Å; N219-Y222 PolarHBondContact O-N 3.15Å; N219-L223 WeakPolarHBondContact O-CG 3.49Å; N219-L223 PolarHBondContact O-N 3.49Å
220L91.1Very high81.6Confident75 Ų7562.7 Ų62.739%0.39332%0.322SS..Hα-helixtrans-67.1-44.9-180-162.1141.9000111.3F216 L217 Y222 L223 M224F216-L220 HydrophobicContact CE1-CD1 3.69Å; F216-L220 HydrophobicContact CE2-CD1 4.48Å; F216-L220 HydrophobicContact CZ-CD1 3.61Å; F216-L220 WeakPolarHBondContact O-CB 3.47Å; F216-L220 PolarHBondContact O-N 3.47Å; L217-L220 PolarHBondContact O-N 3.48Å; L220-Y222 VanDerWaalsContact C-N 3.29Å; L220-Y222 PolarHBondContact O-N 3.49Å; L220-L223 PolarHBondContact O-N 2.96Å; L220-M224 HydrophobicContact CD2-CG 4.02Å; L220-M224 VanDerWaalsContact O-CG 3.26Å; L220-M224 WeakPolarHBondContact O-CG 3.24Å; L220-M224 PolarHBondContact O-N 3.45Å
221I88.8Confident79.1Confident58 Ų5868.9 Ų68.930%0.29735%0.347SS..Hα-helixtrans-62.9-38.9174.6-68.3166.4000110.7V12 I16 L19 L217 L223 M224 R225V12-I221 HydrophobicContact CG1-CG2 3.74Å; I16-I221 HydrophobicContact CD1-CG2 4.06Å; I16-I221 HydrophobicContact CG1-CB 4.18Å; I16-I221 HydrophobicContact CG1-CG2 3.66Å; L19-I221 HydrophobicContact CD1-CD1 3.34Å; L217-I221 WeakPolarHBondContact O-CB 3.48Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.45Å; L217-I221 PolarHBondContact O-N 2.86Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 3.26Å; I221-M224 PolarHBondContact O-N 2.87Å; I221-R225 WeakPolarHBondContact O-CB 3.4Å; I221-R225 PolarHBondContact O-N 3.17Å
222Y85.4Confident76.5Confident25 Ų2577 Ų7710%0.09838%0.378CS..Hα-helixtrans-63.1-39.1175.5-174.8-79.4000112.1I16 K95 F99 S218 N219 L220 R225I16-Y222 HydrophobicContact CD1-CD2 3.96Å; I16-Y222 HydrophobicContact CD1-CG 4.35Å; I16-Y222 HydrophobicContact CG2-CD2 4.48Å; K95-Y222 WeakPolarHBondContact CE-OH 3.46Å; K95-Y222 HydrophobicContact CG-CE2 4.14Å; K95-Y222 WeakPolarHBondContact CG-OH 3.23Å; K95-Y222 PolarHBondContact O-OH 2.94Å; F99-Y222 HydrophobicContact CB-CD1 4.3Å; F99-Y222 HydrophobicContact CB-CE1 3.78Å; F99-Y222 HydrophobicContact CB-CE2 4.23Å; F99-Y222 HydrophobicContact CD1-CE1 4.2Å; F99-Y222 AromaticContact CD2-CD1 3.13Å; F99-Y222 HydrophobicContact CD2-CD1 3.13Å; F99-Y222 HydrophobicContact CD2-CD2 4.34Å; F99-Y222 AromaticContact CD2-CE1 3.42Å; F99-Y222 HydrophobicContact CD2-CE1 3.42Å; F99-Y222 VanDerWaalsContact CD2-CE1 3.42Å; F99-Y222 AromaticContact CD2-CG 3.66Å; F99-Y222 HydrophobicContact CD2-CG 3.66Å; F99-Y222 AromaticContact CE2-CD1 3.42Å; F99-Y222 HydrophobicContact CE2-CD1 3.42Å; F99-Y222 VanDerWaalsContact CE2-CD1 3.42Å; F99-Y222 AromaticContact CE2-CE1 3.96Å; F99-Y222 HydrophobicContact CE2-CE1 3.96Å; F99-Y222 HydrophobicContact CE2-CG 4.12Å; F99-Y222 AromaticContact CG-CD1 3.79Å; F99-Y222 HydrophobicContact CG-CD1 3.79Å; F99-Y222 AromaticContact CG-CE1 3.53Å; F99-Y222 HydrophobicContact CG-CE1 3.53Å; F99-Y222 HydrophobicContact CG-CG 4.48Å; F99-Y222 HydrophobicContact CZ-CD1 4.26Å; S218-Y222 WeakPolarHBondContact O-CB 3.45Å; S218-Y222 PolarHBondContact O-N 3.23Å; N219-Y222 PolarHBondContact O-N 3.15Å; L220-Y222 VanDerWaalsContact C-N 3.29Å; L220-Y222 PolarHBondContact O-N 3.49Å; Y222-R225 WeakPolarHBondContact O-CB 3.35Å
223L85Confident73.8Confident95 Ų9581.9 Ų81.950%0.49741%0.409SS..Hα-helixtrans-66.9-49.4175.2-74.7167.8000111.5F99 N219 L220 I221 R225 K226F99-L223 HydrophobicContact CE2-CD2 4.46Å; F99-L223 HydrophobicContact CE2-CG 4.32Å; F99-L223 HydrophobicContact CZ-CD2 3.94Å; F99-L223 HydrophobicContact CZ-CG 4.22Å; N219-L223 WeakPolarHBondContact O-CG 3.49Å; N219-L223 PolarHBondContact O-N 3.49Å; L220-L223 PolarHBondContact O-N 2.96Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 3.26Å; L223-R225 PolarHBondContact O-N 3.14Å; L223-K226 WeakPolarHBondContact O-CB 3.45Å; L223-K226 PolarHBondContact O-N 3.45Å
224M82.7Confident71.3Confident113 Ų11384 Ų8456%0.55742%0.422SS*.Hα-helixtrans-61-28.1178.1-65-67.5-7200112.6L220 I221 K226 D227L220-M224 HydrophobicContact CD2-CG 4.02Å; L220-M224 VanDerWaalsContact O-CG 3.26Å; L220-M224 WeakPolarHBondContact O-CG 3.24Å; L220-M224 PolarHBondContact O-N 3.45Å; I221-M224 PolarHBondContact O-N 2.87Å; M224-K226 PolarHBondContact O-N 3.21Å; M224-D227 WeakPolarHBondContact O-CB 3.32Å; M224-D227 PolarHBondContact O-N 3.26Å
225R76.6Confident68.3Low15 Ų1589.3 Ų89.36%0.05745%0.447CS..Hα-helixtrans-60.1-36.2172.1-177.8-167.8157.8173.58111.6I9 V12 E13 I221 Y222 L223 D227 C228 E229I9-R225 VanDerWaalsContact CG2-NH2 3.32Å; V12-R225 HydrophobicContact CG1-CB 3.9Å; V12-R225 HydrophobicContact CG1-CG 4.01Å; E13-R225 VanDerWaalsContact CD-NH1 3.29Å; E13-R225 IonicContact OE1-CZ 3.64Å; E13-R225 IonicContact OE1-NH1 3.71Å; E13-R225 PolarHBondContact OE1-NH1 3.3Å; E13-R225 IonicContact OE1-NH2 3.08Å; E13-R225 PolarHBondContact OE1-NH2 2.94Å; I221-R225 WeakPolarHBondContact O-CB 3.4Å; I221-R225 PolarHBondContact O-N 3.17Å; Y222-R225 WeakPolarHBondContact O-CB 3.35Å; L223-R225 PolarHBondContact O-N 3.14Å; R225-D227 PolarHBondContact O-N 3.42Å; R225-C228 WeakPolarHBondContact O-CA 3.39Å; R225-C228 WeakPolarHBondContact O-CB 3.21Å; R225-C228 PolarHBondContact O-N 3.43Å; R225-E229 IonicContact CZ-OE1 3.34Å; R225-E229 IonicContact NE-OE1 2.79Å; R225-E229 PolarHBondContact NE-OE1 2.93Å; R225-E229 IonicContact NH2-OE1 3.08Å; R225-E229 PolarHBondContact NH2-OE1 3.42Å; R225-E229 VanDerWaalsContact NH2-OE1 3.12Å; R225-E229 PolarHBondContact O-N 2.71Å
226K64.4Low65.6Low151 Ų15195.4 Ų95.466%0.65748%0.484SS*.Hα-helixtrans-62.6-31.4-177.4-146.7-174.1179.8-165.30110.9L223 M224 C228 E229L223-K226 WeakPolarHBondContact O-CB 3.45Å; L223-K226 PolarHBondContact O-N 3.45Å; M224-K226 PolarHBondContact O-N 3.21Å; K226-C228 PolarHBondContact O-N 3.16Å; K226-E229 PolarHBondContact O-N 3Å
227D56.3Low63.2Low128 Ų128100 Ų10068%0.68452%0.52SS*.THydrogen-bonded Turntrans-70.7-15.3173.6-52.6-34.1000113.1M224 R225M224-D227 WeakPolarHBondContact O-CB 3.32Å; M224-D227 PolarHBondContact O-N 3.26Å; R225-D227 PolarHBondContact O-N 3.42Å
228C54.3Low61.6Low72 Ų72101.5 Ų101.549%0.48653%0.528SS..THydrogen-bonded Turntrans-97.1-10.4177.5-61.50000113.9R225 K226 D230R225-C228 WeakPolarHBondContact O-CA 3.39Å; R225-C228 WeakPolarHBondContact O-CB 3.21Å; R225-C228 PolarHBondContact O-N 3.43Å; K226-C228 PolarHBondContact O-N 3.16Å; C228-D230 PolarHBondContact O-N 3.37Å
229E56Low60.1Low74 Ų74106.8 Ų106.835%0.34656%0.555SS.*SBendtrans-79.594.7172-83.5175-176.900107.5K95 R225 K226 E231K95-E229 IonicContact NZ-OE1 2.68Å; K95-E229 PolarHBondContact NZ-OE1 2.92Å; K95-E229 IonicContact NZ-OE2 3.55Å; K95-E229 PolarHBondContact NZ-OE2 3.04Å; R225-E229 IonicContact CZ-OE1 3.34Å; R225-E229 IonicContact NE-OE1 2.79Å; R225-E229 PolarHBondContact NE-OE1 2.93Å; R225-E229 IonicContact NH2-OE1 3.08Å; R225-E229 PolarHBondContact NH2-OE1 3.42Å; R225-E229 VanDerWaalsContact NH2-OE1 3.12Å; R225-E229 PolarHBondContact O-N 2.71Å; K226-E229 PolarHBondContact O-N 3Å; E229-E231 PolarHBondContact O-N 3.25Å
230D45.2Very low58.4Low124 Ų124112 Ų11266%0.66358%0.582SS**  trans-47.9115169.7-80.9-43.3000108.6N5 C228 R232N5-D230 PolarHBondContact ND2-OD2 3.09Å; C228-D230 PolarHBondContact O-N 3.37Å; D230-R232 PolarHBondContact O-N 2.75Å
231E42.9Very low56.5Low191 Ų191114.2 Ų114.289%0.89359%0.593SS**  trans-6088.3167.1-70.3-175161.500107.8E229 P233E229-E231 PolarHBondContact O-N 3.25Å; E231-P233 WeakPolarHBondContact O-CD 3.12Å
232R38.7Very low54.5Low172 Ų172117.7 Ų117.765%0.64961%0.612SS**  trans-72.8122.1155.3-69.3-165.8-157.1-173.65.5106.4I2 D230 V234I2-R232 VanDerWaalsContact CD1-NH2 3.33Å; D230-R232 PolarHBondContact O-N 2.75Å; R232-V234 PolarHBondContact O-N 3.23Å
233P36.1Very low52.4Low108 Ų108123.9 Ų123.970%0.70165%0.646SS**  trans-59.2131167.526.7-30.7000106.7E231 E235E231-P233 WeakPolarHBondContact O-CD 3.12Å; P233-E235 PolarHBondContact O-N 3.45Å
234V40.5Very low50.1Low127 Ų127125.9 Ų125.977%0.7766%0.656SS**  trans-64.493.4163.4-1790000105.1R232 V236R232-V234 PolarHBondContact O-N 3.23Å; V234-V236 HydrophobicContact CG1-CG2 3.7Å; V234-V236 PolarHBondContact O-N 3.45Å
235E29.8Very low47.6Very low166 Ų166126.9 Ų126.978%0.77666%0.664SS**  trans-64.997.1156.2-79.8-176.9164.900105.8P233 V237P233-E235 PolarHBondContact O-N 3.45Å; E235-V237 PolarHBondContact O-N 3.39Å
236V36.5Very low45.1Very low128 Ų128136.3 Ų136.378%0.77672%0.715SS**  trans-72.3104.4158.5-175.60000104.8V234V234-V236 HydrophobicContact CG1-CG2 3.7Å; V234-V236 PolarHBondContact O-N 3.45Å
237V41.1Very low43.4Very low194 Ų194134.9 Ų134.9100%1.17672%0.72SS**  trans-78.70165-179.50000108.5E235E235-V237 PolarHBondContact O-N 3.39Å

Retrieved 237 of 237 residues in 117.8 ms (Link to these results)

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