A0A077ZHL1_TRITR Loading...

Sugar transporter SWEET

Mediates sugar transport across membranes.

AlphaFold DB , UniProt , Accession A0A077ZHL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46.8Very low62.2Low206 Ų20694.3 Ų94.3100%1.01553%0.531SS*.  0-40.30-67.1-165.5-112.600111.7G3 V4 E5M1-G3 PolarHBondContact O-N 3.12Å; M1-V4 PolarHBondContact O-N 3.49Å; M1-E5 PolarHBondContact O-N 3.32Å
2A48.1Very low63.1Low64 Ų6493.8 Ų93.853%0.52953%0.526SS..Hα-helixtrans-48.3-48.5174.700000115.3V4 E5 D6A2-V4 VanDerWaalsContact C-N 3.27Å; A2-V4 PolarHBondContact O-N 3.01Å; A2-V4 VanDerWaalsContact O-N 3.15Å; A2-E5 PolarHBondContact O-N 3.25Å; A2-D6 VanDerWaalsContact O-CG 3.3Å; A2-D6 PolarHBondContact O-N 3.29Å
3G55Low64Low45 Ų4592.2 Ų92.246%0.46452%0.52SS..Hα-helixtrans-66.7-17.5-177.600000116.4M1 N7M1-G3 PolarHBondContact O-N 3.12Å; G3-N7 PolarHBondContact O-ND2 3.17Å
4V54.1Low64.6Low105 Ų10587 Ų8764%0.63649%0.49SS*.Hα-helixtrans-85.7-36.3175.5177.90000110.5M1 A2 T8M1-V4 PolarHBondContact O-N 3.49Å; A2-V4 VanDerWaalsContact C-N 3.27Å; A2-V4 PolarHBondContact O-N 3.01Å; A2-V4 VanDerWaalsContact O-N 3.15Å; V4-T8 PolarHBondContact O-N 3.16Å; V4-T8 VanDerWaalsContact O-N 3.1Å; V4-T8 PolarHBondContact O-OG1 3.36Å
5E59.9Low65Low133 Ų13381.8 Ų81.862%0.62146%0.461SS*.Hα-helixtrans-68.8-41.6175.6-69.7177.4166.900111.2M1 A2 N7 T8 M9M1-E5 PolarHBondContact O-N 3.32Å; A2-E5 PolarHBondContact O-N 3.25Å; E5-N7 PolarHBondContact O-N 3.17Å; E5-T8 WeakPolarHBondContact O-CB 3.23Å; E5-T8 PolarHBondContact O-N 3.41Å; E5-T8 VanDerWaalsContact O-N 3.08Å; E5-M9 PolarHBondContact O-N 2.78Å
6D62.4Low65.4Low104 Ų10481.8 Ų81.856%0.55646%0.464SS*.Hα-helixtrans-59.5-45.4177.1-70.2-26.1000111.9A2 T8 M9 L10A2-D6 VanDerWaalsContact O-CG 3.3Å; A2-D6 PolarHBondContact O-N 3.29Å; D6-T8 VanDerWaalsContact C-N 3.32Å; D6-T8 PolarHBondContact O-N 2.59Å; D6-M9 PolarHBondContact O-N 2.97Å; D6-L10 VanDerWaalsContact O-CB 3.32Å; D6-L10 WeakPolarHBondContact O-CB 3.19Å; D6-L10 PolarHBondContact O-N 3.04Å
7N68.4Low65.9Low76 Ų7680.7 Ų80.741%0.40646%0.459SS..Hα-helixtrans-64.3-38.8175.2-75.7-24.6000111.4G3 E5 L10 L11G3-N7 PolarHBondContact O-ND2 3.17Å; E5-N7 PolarHBondContact O-N 3.17Å; N7-L10 PolarHBondContact O-N 3.41Å; N7-L11 VanDerWaalsContact O-CB 3.31Å; N7-L11 WeakPolarHBondContact O-CB 3.47Å; N7-L11 WeakPolarHBondContact O-CD1 3.25Å; N7-L11 WeakPolarHBondContact O-CG 3.44Å; N7-L11 PolarHBondContact O-N 3.37Å
8T70.2Confident66.2Low69 Ų6976.4 Ų76.442%0.42344%0.435SS..Hα-helixtrans-66.1-42.8179-560000111.6V4 E5 D6 L11 N12V4-T8 PolarHBondContact O-N 3.16Å; V4-T8 VanDerWaalsContact O-N 3.1Å; V4-T8 PolarHBondContact O-OG1 3.36Å; E5-T8 WeakPolarHBondContact O-CB 3.23Å; E5-T8 PolarHBondContact O-N 3.41Å; E5-T8 VanDerWaalsContact O-N 3.08Å; D6-T8 VanDerWaalsContact C-N 3.32Å; D6-T8 PolarHBondContact O-N 2.59Å; T8-L11 PolarHBondContact O-N 2.83Å; T8-N12 WeakPolarHBondContact O-CB 3.39Å; T8-N12 VanDerWaalsContact O-CG 3.24Å; T8-N12 PolarHBondContact O-N 3.09Å; T8-N12 PolarHBondContact O-ND2 2.97Å
9M73.5Confident66.4Low132 Ų13273.9 Ų73.965%0.6542%0.421SS*.Hα-helixtrans-63.4-46174.9-176.2177.5173.600111E5 D6 L11 N12 V13E5-M9 PolarHBondContact O-N 2.78Å; D6-M9 PolarHBondContact O-N 2.97Å; M9-L11 VanDerWaalsContact C-N 3.35Å; M9-L11 PolarHBondContact O-N 3Å; M9-N12 PolarHBondContact O-N 3.39Å; M9-V13 WeakPolarHBondContact O-CG2 3.45Å; M9-V13 PolarHBondContact O-N 3.19Å
10L74.3Confident66.7Low73 Ų7376.3 Ų76.338%0.38243%0.432SS..Hα-helixtrans-60.7-43.2177.6-175.262.3000111.7D6 N7 V13 L14 L182D6-L10 VanDerWaalsContact O-CB 3.32Å; D6-L10 WeakPolarHBondContact O-CB 3.19Å; D6-L10 PolarHBondContact O-N 3.04Å; N7-L10 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.23Å; L10-L14 HydrophobicContact CD1-CD1 4.49Å; L10-L14 HydrophobicContact CD1-CG 4.5Å; L10-L14 HydrophobicContact CG-CD1 4.12Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.37Å; L10-L14 PolarHBondContact O-N 3.43Å; L10-L182 HydrophobicContact CD2-CD1 3.53Å; L10-L182 HydrophobicContact CD2-CD2 4.19Å; L10-L182 HydrophobicContact CG-CD1 3.95Å
11L71.7Confident66.9Low30 Ų3073.8 Ų73.816%0.15742%0.419CS..Hα-helixtrans-63.3-41.8176.3-71.4169.4000111.9N7 T8 M9 L14 S15 I76 Y179 L182 V183N7-L11 VanDerWaalsContact O-CB 3.31Å; N7-L11 WeakPolarHBondContact O-CB 3.47Å; N7-L11 WeakPolarHBondContact O-CD1 3.25Å; N7-L11 WeakPolarHBondContact O-CG 3.44Å; N7-L11 PolarHBondContact O-N 3.37Å; T8-L11 PolarHBondContact O-N 2.83Å; M9-L11 VanDerWaalsContact C-N 3.35Å; M9-L11 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.43Å; L11-S15 WeakPolarHBondContact O-CB 3.4Å; L11-S15 PolarHBondContact O-N 2.95Å; L11-I76 HydrophobicContact CB-CD1 4.1Å; L11-Y179 HydrophobicContact CB-CE2 4.39Å; L11-Y179 HydrophobicContact CD2-CD2 3.49Å; L11-Y179 VanDerWaalsContact CD2-CD2 3.49Å; L11-Y179 HydrophobicContact CD2-CE2 3.46Å; L11-Y179 VanDerWaalsContact CD2-CE2 3.46Å; L11-Y179 HydrophobicContact CD2-CG 4.35Å; L11-Y179 HydrophobicContact CG-CE2 4.47Å; L11-L182 HydrophobicContact CD2-CB 3.89Å; L11-L182 HydrophobicContact CD2-CD1 4.2Å; L11-V183 HydrophobicContact CD1-CG2 4.2Å; L11-V183 HydrophobicContact CD2-CG2 3.63Å
12N73.4Confident68Low88 Ų8864.9 Ų64.947%0.47138%0.377SS..Hα-helixtrans-64.5-43.7176.1-73.2-25.8000111.8T8 M9 S15 V16T8-N12 WeakPolarHBondContact O-CB 3.39Å; T8-N12 VanDerWaalsContact O-CG 3.24Å; T8-N12 PolarHBondContact O-N 3.09Å; T8-N12 PolarHBondContact O-ND2 2.97Å; M9-N12 PolarHBondContact O-N 3.39Å; N12-S15 WeakPolarHBondContact O-CB 3.31Å; N12-S15 PolarHBondContact O-N 3.14Å; N12-V16 WeakPolarHBondContact O-CG2 3.42Å; N12-V16 PolarHBondContact O-N 3.08Å
13V74.8Confident69.2Low74 Ų7463.8 Ų63.845%0.44837%0.367SS..Hα-helixtrans-61.9-48.5175.6171.30000110.2M9 L10 S15 V16 V17M9-V13 WeakPolarHBondContact O-CG2 3.45Å; M9-V13 PolarHBondContact O-N 3.19Å; L10-V13 PolarHBondContact O-N 3.23Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 2.94Å; V13-V16 PolarHBondContact O-N 3.32Å; V13-V17 HydrophobicContact CG1-CG2 4.28Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.2Å; V13-V17 PolarHBondContact O-N 3.3Å
14L72.6Confident70Confident19 Ų1964.7 Ų64.710%0.09937%0.365CS..Hα-helixtrans-58.5-41.2176.7-73.7172000111.6L10 L11 A18 Q175 L178 L182L10-L14 HydrophobicContact CD1-CD1 4.49Å; L10-L14 HydrophobicContact CD1-CG 4.5Å; L10-L14 HydrophobicContact CG-CD1 4.12Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.37Å; L10-L14 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 3.43Å; L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 3.48Å; L14-Q175 HydrophobicContact CD2-CB 4.46Å; L14-Q175 HydrophobicContact CD2-CG 4.14Å; L14-L178 HydrophobicContact CD1-CD2 4.09Å; L14-L178 HydrophobicContact CD1-CG 4.15Å; L14-L178 HydrophobicContact CD2-CD2 4.22Å; L14-L182 HydrophobicContact CD1-CD1 3.65Å
15S69.9Low70.8Confident9 Ų961.5 Ų61.56%0.06334%0.343CS..Hα-helixtrans-61.8-49.1175.2175.70000112.5L11 N12 V13 A18 T19 I76L11-S15 WeakPolarHBondContact O-CB 3.4Å; L11-S15 PolarHBondContact O-N 2.95Å; N12-S15 WeakPolarHBondContact O-CB 3.31Å; N12-S15 PolarHBondContact O-N 3.14Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 2.94Å; S15-A18 PolarHBondContact O-N 3.4Å; S15-T19 WeakPolarHBondContact O-CB 3.33Å; S15-T19 PolarHBondContact O-N 3.44Å; S15-T19 PolarHBondContact O-OG1 3.18Å; S15-I76 VanDerWaalsContact CB-CG2 3.43Å; S15-I76 VanDerWaalsContact OG-CG2 3.31Å; S15-I76 WeakPolarHBondContact OG-CG2 3.43Å
16V71.5Confident71.2Confident82 Ų8256.6 Ų56.650%0.49732%0.319SS..Hα-helixtrans-61.7-48.6-179.6169.80000109.5N12 V13 A18 T19 L20N12-V16 WeakPolarHBondContact O-CG2 3.42Å; N12-V16 PolarHBondContact O-N 3.08Å; V13-V16 PolarHBondContact O-N 3.32Å; V16-A18 PolarHBondContact O-N 3.06Å; V16-T19 PolarHBondContact O-N 3.32Å; V16-L20 HydrophobicContact CG1-CD1 3.83Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CB 3.06Å; V16-L20 VanDerWaalsContact O-CG 3.25Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.47Å
17V74.8Confident71.7Confident63 Ų6361 Ų6138%0.38233%0.328SS..Hα-helixtrans-66.7-39.3-179.7-171.40000110.9V13 L20 S21V13-V17 HydrophobicContact CG1-CG2 4.28Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.2Å; V13-V17 PolarHBondContact O-N 3.3Å; V17-L20 PolarHBondContact O-N 3.02Å; V17-S21 VanDerWaalsContact O-CB 3.22Å; V17-S21 WeakPolarHBondContact O-CB 3.35Å; V17-S21 PolarHBondContact O-N 3.43Å; V17-S21 PolarHBondContact O-OG 2.86Å
18A69.9Low71.8Confident3 Ų363 Ų633%0.02533%0.33CS..Hα-helixtrans-62.9-41.2174.900000111.9L14 S15 V16 S21 T22 I80L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 3.48Å; S15-A18 PolarHBondContact O-N 3.4Å; V16-A18 PolarHBondContact O-N 3.06Å; A18-S21 VanDerWaalsContact CA-OG 3.31Å; A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-S21 PolarHBondContact O-OG 2.74Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; A18-T22 WeakPolarHBondContact O-CB 3.2Å; A18-T22 PolarHBondContact O-N 3.44Å; A18-T22 PolarHBondContact O-OG1 2.83Å; A18-I80 HydrophobicContact CB-CD1 4.08Å
19T70.7Confident71.7Confident29 Ų2961.9 Ų61.918%0.17832%0.322CS..Hα-helixtrans-61.7-49.5176-53.20000110.2S15 V16 S21 T22 A23 I80 I83S15-T19 WeakPolarHBondContact O-CB 3.33Å; S15-T19 PolarHBondContact O-N 3.44Å; S15-T19 PolarHBondContact O-OG1 3.18Å; V16-T19 PolarHBondContact O-N 3.32Å; T19-S21 PolarHBondContact O-N 3.15Å; T19-T22 PolarHBondContact O-N 2.66Å; T19-A23 WeakPolarHBondContact O-CB 3.14Å; T19-A23 PolarHBondContact O-N 3.38Å; T19-I80 HydrophobicContact CG2-CG1 4.47Å; T19-I80 WeakPolarHBondContact OG1-CG1 3.46Å; T19-I83 HydrophobicContact CG2-CD1 4.13Å
20L72.4Confident71.5Confident122 Ų12257.6 Ų57.664%0.63930%0.301SS*.Hα-helixtrans-66.9-35.3-179.1-68.8174.6000112.6V16 V17 P24V16-L20 HydrophobicContact CG1-CD1 3.83Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CB 3.06Å; V16-L20 VanDerWaalsContact O-CG 3.25Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.47Å; V17-L20 PolarHBondContact O-N 3.02Å; L20-P24 WeakPolarHBondContact O-CD 3.42Å
21S71Confident71.3Confident23 Ų2358 Ų5816%0.16131%0.309CS..Hα-helixtrans-78-27.8177.864.20000112.3V17 A18 T19 P24 F25 V172 Q175V17-S21 VanDerWaalsContact O-CB 3.22Å; V17-S21 WeakPolarHBondContact O-CB 3.35Å; V17-S21 PolarHBondContact O-N 3.43Å; V17-S21 PolarHBondContact O-OG 2.86Å; A18-S21 VanDerWaalsContact CA-OG 3.31Å; A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-S21 PolarHBondContact O-OG 2.74Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; T19-S21 PolarHBondContact O-N 3.15Å; S21-P24 WeakPolarHBondContact O-CD 3.34Å; S21-F25 VanDerWaalsContact O-CD2 3.22Å; S21-F25 WeakPolarHBondContact O-CD2 3.45Å; S21-F25 WeakPolarHBondContact O-CE2 3.2Å; S21-V172 WeakPolarHBondContact OG-CG2 3.32Å; S21-Q175 PolarHBondContact OG-OE1 3.49Å
22T70.4Confident71Confident20 Ų2057.5 Ų57.512%0.12331%0.311CS..Hα-helixtrans-82.2-35.3178.8-50.80000112.5A18 T19 P24 F25 F26A18-T22 WeakPolarHBondContact O-CB 3.2Å; A18-T22 PolarHBondContact O-N 3.44Å; A18-T22 PolarHBondContact O-OG1 2.83Å; T19-T22 PolarHBondContact O-N 2.66Å; T22-P24 VanDerWaalsContact C-CD 3.49Å; T22-F25 WeakPolarHBondContact O-CB 2.96Å; T22-F25 PolarHBondContact O-N 3.23Å; T22-F26 HydrophobicContact CG2-CD2 3.96Å; T22-F26 HydrophobicContact CG2-CE2 3.39Å; T22-F26 HydrophobicContact CG2-CZ 4.14Å
23A72.1Confident70.6Confident40 Ų4053.3 Ų53.333%0.33129%0.289SS..Hα-helixtrans-53.3-40.2-178.200000114.9T19 F25 F26 R27T19-A23 WeakPolarHBondContact O-CB 3.14Å; T19-A23 PolarHBondContact O-N 3.38Å; A23-F25 VanDerWaalsContact C-N 3.26Å; A23-F25 PolarHBondContact O-N 3.34Å; A23-F26 PolarHBondContact O-N 3.33Å; A23-R27 PolarHBondContact O-N 3.26Å
24P72.7Confident70.3Confident64 Ų6454.6 Ų54.642%0.41629%0.292SS..Hα-helixtrans-58.2-31.8173.5-27.634.9000114.5L20 S21 T22 R28L20-P24 WeakPolarHBondContact O-CD 3.42Å; S21-P24 WeakPolarHBondContact O-CD 3.34Å; T22-P24 VanDerWaalsContact C-CD 3.49Å; P24-R28 WeakPolarHBondContact O-CB 2.93Å; P24-R28 VanDerWaalsContact O-CG 3.29Å; P24-R28 WeakPolarHBondContact O-CG 3.37Å; P24-R28 PolarHBondContact O-N 3.18Å
25F69.7Low70Confident39 Ų3962.8 Ų62.817%0.17132%0.321CS..Hα-helixtrans-69.5-47.6179.1-67.5-85.5000111.5S21 T22 A23 R27 R28 N29 I165 A168 N169 V172S21-F25 VanDerWaalsContact O-CD2 3.22Å; S21-F25 WeakPolarHBondContact O-CD2 3.45Å; S21-F25 WeakPolarHBondContact O-CE2 3.2Å; T22-F25 WeakPolarHBondContact O-CB 2.96Å; T22-F25 PolarHBondContact O-N 3.23Å; A23-F25 VanDerWaalsContact C-N 3.26Å; A23-F25 PolarHBondContact O-N 3.34Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.45Å; F25-R28 PolarHBondContact O-N 2.81Å; F25-N29 PolarHBondContact O-N 3.33Å; F25-N29 VanDerWaalsContact O-N 3.07Å; F25-I165 HydrophobicContact CD1-CG2 4.37Å; F25-I165 HydrophobicContact CE1-CG2 3.69Å; F25-A168 HydrophobicContact CE1-CB 4.46Å; F25-A168 HydrophobicContact CE2-CB 3.66Å; F25-A168 HydrophobicContact CZ-CB 3.37Å; F25-N169 WeakPolarHBondContact CE1-OD1 3.41Å; F25-N169 HydrophobicContact CZ-CB 4.36Å; F25-N169 WeakPolarHBondContact CZ-OD1 3.45Å; F25-V172 HydrophobicContact CE2-CG2 4.07Å
26F68.6Low69.7Low29 Ų2962.9 Ų62.913%0.12732%0.321CS..Hα-helixtrans-61.4-41.1175.2-67.2-64.1000111.5T22 A23 R28 N29 L30 L87 E88T22-F26 HydrophobicContact CG2-CD2 3.96Å; T22-F26 HydrophobicContact CG2-CE2 3.39Å; T22-F26 HydrophobicContact CG2-CZ 4.14Å; A23-F26 PolarHBondContact O-N 3.33Å; F26-R28 VanDerWaalsContact C-N 3.35Å; F26-R28 PolarHBondContact O-N 2.93Å; F26-N29 WeakPolarHBondContact O-CB 3.28Å; F26-N29 PolarHBondContact O-N 2.98Å; F26-L30 PolarHBondContact O-N 3.35Å; F26-L30 VanDerWaalsContact O-N 3.1Å; F26-L87 HydrophobicContact CB-CB 4.1Å; F26-L87 HydrophobicContact CB-CD1 3.44Å; F26-L87 VanDerWaalsContact CB-CD1 3.44Å; F26-L87 HydrophobicContact CB-CG 4.39Å; F26-L87 HydrophobicContact CD2-CD1 4.19Å; F26-L87 HydrophobicContact CG-CB 4.46Å; F26-L87 HydrophobicContact CG-CD1 3.97Å; F26-E88 HydrophobicContact CD1-CG 4.15Å; F26-E88 HydrophobicContact CE1-CG 4.07Å
27R72.4Confident69.2Low196 Ų19661.8 Ų61.874%0.7432%0.315SS*.Hα-helixtrans-63.3-38.7175.7-173.5176.8176.6169.5-0.1112.5A23 F25 L30 C31A23-R27 PolarHBondContact O-N 3.26Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.45Å; R27-L30 PolarHBondContact O-N 3.28Å; R27-C31 WeakPolarHBondContact O-CB 3.47Å; R27-C31 PolarHBondContact O-N 2.77Å
28R71.5Confident68.6Low120 Ų12069.6 Ų69.645%0.45334%0.337SS..Hα-helixtrans-63.8-39.8175.4-79.6179-171.3-113.86.9111.6P24 F25 F26 G32 I165P24-R28 WeakPolarHBondContact O-CB 2.93Å; P24-R28 VanDerWaalsContact O-CG 3.29Å; P24-R28 WeakPolarHBondContact O-CG 3.37Å; P24-R28 PolarHBondContact O-N 3.18Å; F25-R28 PolarHBondContact O-N 2.81Å; F26-R28 VanDerWaalsContact C-N 3.35Å; F26-R28 PolarHBondContact O-N 2.93Å; R28-G32 PolarHBondContact O-N 3.19Å; R28-I165 VanDerWaalsContact CZ-CG1 3.42Å; R28-I165 VanDerWaalsContact NH1-CD1 3.28Å
29N67.7Low68.1Low45 Ų4572.5 Ų72.524%0.24136%0.357CS..Hα-helixtrans-58.1-50.5173.2-71.1-12.1000110.4F25 F26 C31 G32 A33 E88 Y91F25-N29 PolarHBondContact O-N 3.33Å; F25-N29 VanDerWaalsContact O-N 3.07Å; F26-N29 WeakPolarHBondContact O-CB 3.28Å; F26-N29 PolarHBondContact O-N 2.98Å; N29-C31 PolarHBondContact O-N 3.38Å; N29-G32 PolarHBondContact O-N 2.91Å; N29-A33 PolarHBondContact O-N 3.25Å; N29-E88 PolarHBondContact ND2-OE1 3.28Å; N29-E88 VanDerWaalsContact ND2-OE1 3.1Å; N29-Y91 HydrophobicContact CB-CD2 4.38Å; N29-Y91 HydrophobicContact CB-CE2 4.42Å; N29-Y91 WeakPolarHBondContact O-CE2 3.46Å
30L69Low67.2Low42 Ų4280.6 Ų80.622%0.2239%0.393CS..Hα-helixtrans-59.2-48.5179.1-171.463.5000113.3F26 R27 G32 A33 I34 V90 I94F26-L30 PolarHBondContact O-N 3.35Å; F26-L30 VanDerWaalsContact O-N 3.1Å; R27-L30 PolarHBondContact O-N 3.28Å; L30-G32 VanDerWaalsContact C-N 3.29Å; L30-G32 PolarHBondContact O-N 3.11Å; L30-A33 PolarHBondContact O-N 3.31Å; L30-I34 HydrophobicContact CG-CD1 4.32Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 2.9Å; L30-I34 VanDerWaalsContact O-N 3.14Å; L30-V90 HydrophobicContact CD1-CG1 4.18Å; L30-I94 HydrophobicContact CD1-CD1 3.56Å
31C70Confident66.2Low82 Ų8279.7 Ų79.755%0.55439%0.392SS*.Hα-helixtrans-61.9-39176.9-172.40000111.7R27 N29 I34 R35R27-C31 WeakPolarHBondContact O-CB 3.47Å; R27-C31 PolarHBondContact O-N 2.77Å; N29-C31 PolarHBondContact O-N 3.38Å; C31-I34 PolarHBondContact O-N 3.42Å; C31-R35 WeakPolarHBondContact O-CB 3.23Å; C31-R35 PolarHBondContact O-N 2.73Å
32G66.7Low65.3Low18 Ų1884.1 Ų84.119%0.18642%0.423CS..Hα-helixtrans-61.9-41.8174.800000113.1R28 N29 L30 N36R28-G32 PolarHBondContact O-N 3.19Å; N29-G32 PolarHBondContact O-N 2.91Å; L30-G32 VanDerWaalsContact C-N 3.29Å; L30-G32 PolarHBondContact O-N 3.11Å; G32-N36 WeakPolarHBondContact O-CB 3.21Å; G32-N36 PolarHBondContact O-N 3.48Å; G32-N36 PolarHBondContact O-ND2 3.1Å; G32-N36 PolarHBondContact O-OD1 3.07Å
33A64Low64.1Low1 Ų190.7 Ų90.71%0.00845%0.45CS..Hα-helixtrans-59.7-51.3173.600000111.6N29 L30 R35 N36 V37 Y91N29-A33 PolarHBondContact O-N 3.25Å; L30-A33 PolarHBondContact O-N 3.31Å; A33-R35 VanDerWaalsContact C-N 3.31Å; A33-R35 PolarHBondContact O-N 2.99Å; A33-N36 PolarHBondContact O-N 2.85Å; A33-V37 WeakPolarHBondContact O-CG2 3.27Å; A33-V37 PolarHBondContact O-N 3.35Å; A33-Y91 HydrophobicContact CB-CD2 3.51Å; A33-Y91 HydrophobicContact CB-CE2 3.13Å
34I68Low63.2Low101 Ų10191 Ų9152%0.51845%0.445SS..Hα-helixtrans-60.3-42.7-177.1-64.1167000110.8L30 C31L30-I34 HydrophobicContact CG-CD1 4.32Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 2.9Å; L30-I34 VanDerWaalsContact O-N 3.14Å; C31-I34 PolarHBondContact O-N 3.42Å
35R67.9Low62Low190 Ų19094.5 Ų94.572%0.71746%0.455SS*.Hα-helixtrans-67.6-40.9177.1-171.5175.8180176.4-0112.3C31 A33 R38 C39C31-R35 WeakPolarHBondContact O-CB 3.23Å; C31-R35 PolarHBondContact O-N 2.73Å; A33-R35 VanDerWaalsContact C-N 3.31Å; A33-R35 PolarHBondContact O-N 2.99Å; R35-R38 WeakPolarHBondContact O-CB 3.33Å; R35-R38 PolarHBondContact O-N 3.43Å; R35-R38 VanDerWaalsContact O-N 3.12Å; R35-C39 PolarHBondContact O-N 3.24Å
36N61.9Low61.1Low12 Ų1297.5 Ų97.56%0.06447%0.472CS..Hα-helixtrans-68.7-34.8-178.2-75.5-5.9000112.7G32 A33 R38 C39 L44 F48G32-N36 WeakPolarHBondContact O-CB 3.21Å; G32-N36 PolarHBondContact O-N 3.48Å; G32-N36 PolarHBondContact O-ND2 3.1Å; G32-N36 PolarHBondContact O-OD1 3.07Å; A33-N36 PolarHBondContact O-N 2.85Å; N36-R38 PolarHBondContact O-N 2.94Å; N36-C39 PolarHBondContact O-N 3.5Å; N36-L44 HydrophobicContact CB-CD2 4.03Å; N36-F48 HydrophobicContact CB-CD2 4.2Å; N36-F48 HydrophobicContact CB-CE2 4.22Å
37V62.8Low60.5Low59 Ų5998.1 Ų98.136%0.35848%0.478SS..Hα-helixtrans-59.5-24.5172.4170.20000111.5A33 Y98A33-V37 WeakPolarHBondContact O-CG2 3.27Å; A33-V37 PolarHBondContact O-N 3.35Å; V37-Y98 HydrophobicContact CG1-CD1 3.58Å; V37-Y98 HydrophobicContact CG1-CD2 4.32Å; V37-Y98 HydrophobicContact CG1-CE1 4.16Å; V37-Y98 HydrophobicContact CG1-CG 3.68Å; V37-Y98 HydrophobicContact CG2-CD2 4.45Å; V37-Y98 HydrophobicContact CG2-CG 4.19Å
38R61.4Low59.7Low227 Ų22790.9 Ų90.986%0.85745%0.452SS*.THydrogen-bonded Turntrans-92.4-12.5-176.8-158.5170.7-176.7176.80.8114.6R35 N36R35-R38 WeakPolarHBondContact O-CB 3.33Å; R35-R38 PolarHBondContact O-N 3.43Å; R35-R38 VanDerWaalsContact O-N 3.12Å; N36-R38 PolarHBondContact O-N 2.94Å
39C58.2Low59.1Low64 Ų6493.3 Ų93.343%0.43246%0.461SS..  trans-132.486.1-175.9-69.10000111.1R35 N36 V41 L44R35-C39 PolarHBondContact O-N 3.24Å; N36-C39 PolarHBondContact O-N 3.5Å; C39-V41 PolarHBondContact O-N 2.81Å; C39-V41 VanDerWaalsContact O-N 3.17Å; C39-L44 VanDerWaalsContact O-CD2 3.23Å; C39-L44 WeakPolarHBondContact O-CD2 3.46Å
40E52.4Low58.8Low199 Ų19994.1 Ų94.193%0.9346%0.463SS*.  trans-77.295.6163.1-76.6-158.215500109.6
41V52.6Low58.5Low102 Ų10297.8 Ų97.862%0.61847%0.474SS*.  trans-126.1127.7165.6-177.40000106.9C39 F43 L44C39-V41 PolarHBondContact O-N 2.81Å; C39-V41 VanDerWaalsContact O-N 3.17Å; V41-F43 PolarHBondContact O-N 3.02Å; V41-L44 WeakPolarHBondContact O-CA 3.25Å; V41-L44 WeakPolarHBondContact O-CB 3.4Å; V41-L44 PolarHBondContact O-N 3.26Å
42S51.1Low58.2Low116 Ų11694 Ų9481%0.81145%0.447SS*.THydrogen-bonded Turntrans-53.9-25.6-166.6-52.80000116.1L44 F45S42-L44 PolarHBondContact O-N 3.28Å; S42-F45 VanDerWaalsContact O-CB 3.31Å; S42-F45 WeakPolarHBondContact O-CB 3.33Å; S42-F45 PolarHBondContact O-N 2.82Å; S42-F45 VanDerWaalsContact O-N 3.09Å
43F45.5Very low58.3Low158 Ų15897.8 Ų97.869%0.69346%0.459SS*.THydrogen-bonded Turntrans-66-25.3172.8-171-104.5000113V41 F45V41-F43 PolarHBondContact O-N 3.02Å; F43-F45 PolarHBondContact O-N 3.5Å
44L52.4Low58.8Low46 Ų46100.6 Ų100.624%0.24147%0.471CS..Hα-helixtrans-66.1-23.5173-156.277.5000111.3N36 C39 V41 S42 L46 T47 F48N36-L44 HydrophobicContact CB-CD2 4.03Å; C39-L44 VanDerWaalsContact O-CD2 3.23Å; C39-L44 WeakPolarHBondContact O-CD2 3.46Å; V41-L44 WeakPolarHBondContact O-CA 3.25Å; V41-L44 WeakPolarHBondContact O-CB 3.4Å; V41-L44 PolarHBondContact O-N 3.26Å; S42-L44 PolarHBondContact O-N 3.28Å; L44-L46 PolarHBondContact O-N 3.34Å; L44-T47 CarbonylContact O-C 3.59Å; L44-T47 PolarHBondContact O-N 3.43Å; L44-F48 HydrophobicContact CG-CB 4.47Å; L44-F48 WeakPolarHBondContact O-CA 3.42Å; L44-F48 WeakPolarHBondContact O-CB 3.46Å; L44-F48 PolarHBondContact O-N 2.74Å
45F48.2Very low59Low139 Ų13996.1 Ų96.161%0.6145%0.449SS*.Hα-helixtrans-62.9-42.8-169.5-168.1-98000114S42 F43 F48 R49S42-F45 VanDerWaalsContact O-CB 3.31Å; S42-F45 WeakPolarHBondContact O-CB 3.33Å; S42-F45 PolarHBondContact O-N 2.82Å; S42-F45 VanDerWaalsContact O-N 3.09Å; F43-F45 PolarHBondContact O-N 3.5Å; F45-F48 PolarHBondContact O-N 3.02Å; F45-R49 WeakPolarHBondContact O-CB 3.44Å; F45-R49 PolarHBondContact O-N 2.93Å
46L50.6Low59.5Low101 Ų10187.9 Ų87.953%0.52942%0.419SS..Hα-helixtrans-70.8-44.6178.5-166.977.4000111.2L44 F48 R49 K50L44-L46 PolarHBondContact O-N 3.34Å; L46-F48 VanDerWaalsContact C-N 3.28Å; L46-F48 PolarHBondContact O-N 3.18Å; L46-R49 PolarHBondContact O-N 2.99Å; L46-K50 WeakPolarHBondContact O-CG 3.4Å; L46-K50 PolarHBondContact O-N 3.44Å
47T56.1Low60.4Low43 Ų4387.7 Ų87.726%0.26442%0.418SS..Hα-helixtrans-63.5-36.7175.4-590000111.2L44 K50 R51L44-T47 CarbonylContact O-C 3.59Å; L44-T47 PolarHBondContact O-N 3.43Å; T47-K50 PolarHBondContact O-N 3.18Å; T47-R51 HydrophobicContact CG2-CG 4.44Å; T47-R51 VanDerWaalsContact O-CB 3.27Å; T47-R51 WeakPolarHBondContact O-CB 3.45Å; T47-R51 WeakPolarHBondContact O-CG 3.39Å; T47-R51 PolarHBondContact O-N 2.85Å
48F54.8Low61.5Low44 Ų4485.4 Ų85.419%0.19341%0.405CS..Hα-helixtrans-67.4-46.9176-177.1-108.7000110.4N36 L44 F45 L46 K50 R51 N52N36-F48 HydrophobicContact CB-CD2 4.2Å; N36-F48 HydrophobicContact CB-CE2 4.22Å; L44-F48 HydrophobicContact CG-CB 4.47Å; L44-F48 WeakPolarHBondContact O-CA 3.42Å; L44-F48 WeakPolarHBondContact O-CB 3.46Å; L44-F48 PolarHBondContact O-N 2.74Å; F45-F48 PolarHBondContact O-N 3.02Å; L46-F48 VanDerWaalsContact C-N 3.28Å; L46-F48 PolarHBondContact O-N 3.18Å; F48-K50 PolarHBondContact O-N 3.35Å; F48-R51 PolarHBondContact O-N 2.78Å; F48-N52 WeakPolarHBondContact CD1-ND2 3.36Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.21Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.3Å; F48-N52 WeakPolarHBondContact O-CB 3.42Å; F48-N52 PolarHBondContact O-N 3.03Å; F48-N52 PolarHBondContact O-ND2 3.19Å; F48-N52 VanDerWaalsContact O-ND2 3.15Å; F48-N52 PolarHBondContact O-OD1 2.94Å
49R59.1Low62.7Low170 Ų17074.7 Ų74.764%0.64236%0.364SS*.Hα-helixtrans-59.7-44.4174.6-171.8174-179.2150.7-0.3111.7F45 L46 N52 F53F45-R49 WeakPolarHBondContact O-CB 3.44Å; F45-R49 PolarHBondContact O-N 2.93Å; L46-R49 PolarHBondContact O-N 2.99Å; R49-N52 PolarHBondContact O-N 3.43Å; R49-F53 WeakPolarHBondContact O-CB 3.38Å; R49-F53 PolarHBondContact O-N 3.3Å
50K62Low64.2Low62 Ų6271.9 Ų71.927%0.2735%0.345SS..Hα-helixtrans-64.5-43.7175.7-73.1-176.5178.4-178.60112.1L46 T47 F48 K54 A148L46-K50 WeakPolarHBondContact O-CG 3.4Å; L46-K50 PolarHBondContact O-N 3.44Å; T47-K50 PolarHBondContact O-N 3.18Å; F48-K50 PolarHBondContact O-N 3.35Å; K50-K54 PolarHBondContact O-N 3.47Å; K50-K54 VanDerWaalsContact O-N 3.12Å; K50-A148 PolarHBondContact NZ-O 3.35Å
51R63.1Low66Low120 Ų12062.8 Ų62.845%0.45330%0.304SS..Hα-helixtrans-63.3-42.5176.8-79.6180-177.9178.26.4112T47 F48 K54 S55T47-R51 HydrophobicContact CG2-CG 4.44Å; T47-R51 VanDerWaalsContact O-CB 3.27Å; T47-R51 WeakPolarHBondContact O-CB 3.45Å; T47-R51 WeakPolarHBondContact O-CG 3.39Å; T47-R51 PolarHBondContact O-N 2.85Å; F48-R51 PolarHBondContact O-N 2.78Å; R51-K54 WeakPolarHBondContact O-CB 3.29Å; R51-K54 PolarHBondContact O-N 3.14Å; R51-S55 PolarHBondContact O-N 3.11Å
52N63.7Low67.8Low1 Ų158.2 Ų58.21%0.00528%0.276CS..Hα-helixtrans-71.2-37.3-179.5-63.2-21.9000112.3F48 R49 K54 S55 E56 Y91 R101F48-N52 WeakPolarHBondContact CD1-ND2 3.36Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.21Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.3Å; F48-N52 WeakPolarHBondContact O-CB 3.42Å; F48-N52 PolarHBondContact O-N 3.03Å; F48-N52 PolarHBondContact O-ND2 3.19Å; F48-N52 VanDerWaalsContact O-ND2 3.15Å; F48-N52 PolarHBondContact O-OD1 2.94Å; R49-N52 PolarHBondContact O-N 3.43Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 3.37Å; N52-S55 WeakPolarHBondContact CA-OG 3.44Å; N52-S55 PolarHBondContact O-N 3.29Å; N52-S55 PolarHBondContact O-OG 2.96Å; N52-E56 WeakPolarHBondContact O-CB 3.27Å; N52-E56 VanDerWaalsContact O-CG 3.25Å; N52-E56 WeakPolarHBondContact O-CG 3.33Å; N52-E56 PolarHBondContact O-N 2.94Å; N52-Y91 PolarHBondContact OD1-OH 3.34Å; N52-R101 PolarHBondContact ND2-NH1 3.44Å
53F69.2Low69.8Low98 Ų9853.8 Ų53.843%0.4324%0.242SC..Hα-helixtrans-58.8-43.1171.2179.9-101.9000110.7R49 S55 E56 T57R49-F53 WeakPolarHBondContact O-CB 3.38Å; R49-F53 PolarHBondContact O-N 3.3Å; F53-S55 PolarHBondContact O-N 3.32Å; F53-E56 PolarHBondContact O-N 3.33Å; F53-T57 HydrophobicContact CD1-CG2 4.45Å; F53-T57 HydrophobicContact CE1-CG2 4Å; F53-T57 HydrophobicContact CE2-CG2 4.32Å; F53-T57 HydrophobicContact CZ-CG2 3.93Å; F53-T57 PolarHBondContact O-N 3.09Å; F53-T57 PolarHBondContact O-OG1 2.97Å
54K73.8Confident72Confident60 Ų6046.7 Ų46.726%0.26121%0.211SC..Hα-helixtrans-61.2-41.2175.6-171.1-172.9175.677.80112.4K50 R51 N52 T57 S58 N142 A145K50-K54 PolarHBondContact O-N 3.47Å; K50-K54 VanDerWaalsContact O-N 3.12Å; R51-K54 WeakPolarHBondContact O-CB 3.29Å; R51-K54 PolarHBondContact O-N 3.14Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 3.37Å; K54-T57 PolarHBondContact O-OG1 3.35Å; K54-S58 VanDerWaalsContact O-CB 3.27Å; K54-S58 WeakPolarHBondContact O-CB 3.35Å; K54-S58 PolarHBondContact O-N 3.48Å; K54-S58 PolarHBondContact O-OG 3.5Å; K54-N142 PolarHBondContact NZ-O 3.47Å; K54-A145 HydrophobicContact CB-CB 3.99Å; K54-A145 HydrophobicContact CD-CB 3.83Å; K54-A145 HydrophobicContact CG-CB 3.97Å
55S71.7Confident73.9Confident8 Ų845.2 Ų45.26%0.05620%0.202CC..Hα-helixtrans-67.9-39176.554.90000112.4R51 N52 F53 T57 S58 I59 Y91R51-S55 PolarHBondContact O-N 3.11Å; N52-S55 WeakPolarHBondContact CA-OG 3.44Å; N52-S55 PolarHBondContact O-N 3.29Å; N52-S55 PolarHBondContact O-OG 2.96Å; F53-S55 PolarHBondContact O-N 3.32Å; S55-T57 VanDerWaalsContact C-N 3.34Å; S55-T57 PolarHBondContact O-N 3.42Å; S55-S58 PolarHBondContact O-N 2.83Å; S55-S58 VanDerWaalsContact O-N 3.16Å; S55-I59 PolarHBondContact O-N 3.23Å; S55-Y91 VanDerWaalsContact OG-CE1 3.23Å; S55-Y91 WeakPolarHBondContact OG-CE1 3.49Å
56E78.5Confident76Confident17 Ų1739.4 Ų39.48%0.07918%0.177CC..Hα-helixtrans-62.3-39.5176.7-72.4164-160.900111.3N52 F53 I59 C60 R101 A104 M107N52-E56 WeakPolarHBondContact O-CB 3.27Å; N52-E56 VanDerWaalsContact O-CG 3.25Å; N52-E56 WeakPolarHBondContact O-CG 3.33Å; N52-E56 PolarHBondContact O-N 2.94Å; F53-E56 PolarHBondContact O-N 3.33Å; E56-I59 VanDerWaalsContact O-CG2 3.3Å; E56-I59 WeakPolarHBondContact O-CG2 3.44Å; E56-C60 PolarHBondContact O-SG 3.27Å; E56-C60 VanDerWaalsContact O-SG 3.39Å; E56-R101 IonicContact OE1-CZ 3.37Å; E56-R101 IonicContact OE1-NH1 2.77Å; E56-R101 PolarHBondContact OE1-NH1 2.89Å; E56-R101 IonicContact OE1-NH2 3.28Å; E56-R101 PolarHBondContact OE1-NH2 3.28Å; E56-A104 HydrophobicContact CG-CB 3.89Å; E56-M107 HydrophobicContact CB-SD 3.98Å; E56-M107 HydrophobicContact CG-SD 4.46Å
57T82.2Confident78Confident7 Ų736 Ų364%0.04316%0.159CC..Hα-helixtrans-73.8-32.7172.9590000112.7F53 K54 S55 S61 N142F53-T57 HydrophobicContact CD1-CG2 4.45Å; F53-T57 HydrophobicContact CE1-CG2 4Å; F53-T57 HydrophobicContact CE2-CG2 4.32Å; F53-T57 HydrophobicContact CZ-CG2 3.93Å; F53-T57 PolarHBondContact O-N 3.09Å; F53-T57 PolarHBondContact O-OG1 2.97Å; K54-T57 PolarHBondContact O-OG1 3.35Å; S55-T57 VanDerWaalsContact C-N 3.34Å; S55-T57 PolarHBondContact O-N 3.42Å; T57-S61 VanDerWaalsContact O-CB 3.28Å; T57-S61 WeakPolarHBondContact O-CB 3.38Å; T57-S61 PolarHBondContact O-N 2.63Å; T57-N142 WeakPolarHBondContact CB-OD1 3.42Å; T57-N142 PolarHBondContact OG1-OD1 3.37Å
58S84.9Confident79.7Confident12 Ų1234.1 Ų34.18%0.08415%0.147CC..Hα-helixtrans-67.4-42.4-178.9-62.50000112.3K54 S55 S61 C62K54-S58 VanDerWaalsContact O-CB 3.27Å; K54-S58 WeakPolarHBondContact O-CB 3.35Å; K54-S58 PolarHBondContact O-N 3.48Å; K54-S58 PolarHBondContact O-OG 3.5Å; S55-S58 PolarHBondContact O-N 2.83Å; S55-S58 VanDerWaalsContact O-N 3.16Å; S58-S61 WeakPolarHBondContact O-CB 3.48Å; S58-S61 PolarHBondContact O-N 3.43Å; S58-C62 PolarHBondContact O-N 2.87Å; S58-C62 PolarHBondContact O-SG 3.01Å
59I87.1Confident81.4Confident2 Ų232 Ų321%0.0114%0.138CC..Hα-helixtrans-64.6-43177.1-169.5152.2000112S55 E56 S61 C62 F63 F85 E88 V89 I108S55-I59 PolarHBondContact O-N 3.23Å; E56-I59 VanDerWaalsContact O-CG2 3.3Å; E56-I59 WeakPolarHBondContact O-CG2 3.44Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 3.09Å; I59-C62 PolarHBondContact O-N 3Å; I59-F63 WeakPolarHBondContact O-CB 3.48Å; I59-F63 PolarHBondContact O-N 3.1Å; I59-F85 HydrophobicContact CD1-CE2 4.33Å; I59-F85 HydrophobicContact CG1-CD2 3.96Å; I59-F85 HydrophobicContact CG1-CE2 3.78Å; I59-E88 HydrophobicContact CB-CB 3.87Å; I59-E88 HydrophobicContact CD1-CB 3.97Å; I59-E88 HydrophobicContact CG1-CB 4.02Å; I59-V89 HydrophobicContact CD1-CB 4.49Å; I59-V89 HydrophobicContact CD1-CG2 3.76Å; I59-I108 HydrophobicContact CD1-CD1 3.31Å; I59-I108 HydrophobicContact CD1-CG1 4.11Å; I59-I108 HydrophobicContact CG1-CD1 3.77Å; I59-I108 HydrophobicContact CG1-CG1 3.98Å; I59-I108 HydrophobicContact CG2-CD1 4.13Å; I59-I108 HydrophobicContact CG2-CG1 4.02Å
60C90.2Very high82.9Confident5 Ų527.4 Ų27.43%0.03413%0.125CC..Hα-helixtrans-62.1-43174.2-67.10000110.6E56 F63 F64 C111 L138E56-C60 PolarHBondContact O-SG 3.27Å; E56-C60 VanDerWaalsContact O-SG 3.39Å; C60-F63 PolarHBondContact O-N 3.16Å; C60-F64 WeakPolarHBondContact O-CD2 3.06Å; C60-F64 PolarHBondContact O-N 3.45Å; C60-C111 VanDerWaalsContact SG-SG 3.68Å; C60-L138 HydrophobicContact CB-CD1 4.16Å; C60-L138 HydrophobicContact CB-CD2 4.35Å
61S89.6Confident84.3Confident7 Ų725.3 Ų25.35%0.04912%0.117CC..Hα-helixtrans-59.9-50.1177.9-171.70000111.6T57 S58 I59 F63 F64 W65 N142T57-S61 VanDerWaalsContact O-CB 3.28Å; T57-S61 WeakPolarHBondContact O-CB 3.38Å; T57-S61 PolarHBondContact O-N 2.63Å; S58-S61 WeakPolarHBondContact O-CB 3.48Å; S58-S61 PolarHBondContact O-N 3.43Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 3.09Å; S61-F63 VanDerWaalsContact C-N 3.28Å; S61-F63 PolarHBondContact O-N 2.92Å; S61-F64 PolarHBondContact O-N 2.99Å; S61-W65 WeakPolarHBondContact O-CB 3.37Å; S61-W65 VanDerWaalsContact O-CD1 3.23Å; S61-W65 PolarHBondContact O-N 2.84Å; S61-N142 PolarHBondContact OG-ND2 3.35Å
62C90.6Very high85.4Confident6 Ų623.4 Ų23.44%0.04111%0.112CC..Hα-helixtrans-59.2-41.6176.9-63.70000111.2S58 I59 L66 F85S58-C62 PolarHBondContact O-N 2.87Å; S58-C62 PolarHBondContact O-SG 3.01Å; I59-C62 PolarHBondContact O-N 3Å; C62-L66 WeakPolarHBondContact O-CB 3.22Å; C62-L66 PolarHBondContact O-N 3.49Å; C62-F85 HydrophobicContact CB-CB 3.88Å; C62-F85 HydrophobicContact CB-CD2 4.36Å
63F92.9Very high86.6Confident23 Ų2333.6 Ų33.610%0.10115%0.15CC..Hα-helixtrans-62.4-49.8177.3179.7-105.2000112.4I59 C60 S61 L66 Q67 F85 C111 A112 V115I59-F63 WeakPolarHBondContact O-CB 3.48Å; I59-F63 PolarHBondContact O-N 3.1Å; C60-F63 PolarHBondContact O-N 3.16Å; S61-F63 VanDerWaalsContact C-N 3.28Å; S61-F63 PolarHBondContact O-N 2.92Å; F63-L66 WeakPolarHBondContact O-CB 3.46Å; F63-L66 PolarHBondContact O-N 3.45Å; F63-Q67 HydrophobicContact CD1-CG 4.47Å; F63-Q67 HydrophobicContact CD2-CG 4.48Å; F63-Q67 HydrophobicContact CE1-CG 4.12Å; F63-Q67 HydrophobicContact CE2-CG 4.12Å; F63-Q67 HydrophobicContact CZ-CG 3.92Å; F63-Q67 VanDerWaalsContact O-CG 3.26Å; F63-Q67 WeakPolarHBondContact O-CG 3.26Å; F63-Q67 PolarHBondContact O-N 2.99Å; F63-F85 HydrophobicContact CB-CD2 3.97Å; F63-F85 HydrophobicContact CB-CE2 3.83Å; F63-F85 HydrophobicContact CD2-CE2 4.06Å; F63-F85 HydrophobicContact CD2-CZ 4.25Å; F63-F85 HydrophobicContact CG-CE2 4.35Å; F63-C111 HydrophobicContact CD1-CB 3.93Å; F63-C111 HydrophobicContact CE1-CB 4.07Å; F63-A112 HydrophobicContact CE1-CB 4.45Å; F63-A112 HydrophobicContact CZ-CB 4.02Å; F63-V115 HydrophobicContact CD1-CG2 4.41Å; F63-V115 HydrophobicContact CE1-CB 4.14Å; F63-V115 HydrophobicContact CE1-CG2 3.55Å; F63-V115 HydrophobicContact CZ-CB 4.36Å; F63-V115 HydrophobicContact CZ-CG2 4.2Å
64F92.4Very high87.3Confident9 Ų930 Ų304%0.03914%0.135CC..Hα-helixtrans-64.9-42.3-179.7-80.1-70000112.3C60 S61 L66 Q67 Y68 C111 L114 V115 L131 M134 C135 L138C60-F64 WeakPolarHBondContact O-CD2 3.06Å; C60-F64 PolarHBondContact O-N 3.45Å; S61-F64 PolarHBondContact O-N 2.99Å; F64-L66 VanDerWaalsContact C-N 3.34Å; F64-L66 PolarHBondContact O-N 2.96Å; F64-Q67 PolarHBondContact O-N 3.37Å; F64-Y68 VanDerWaalsContact O-CB 3.29Å; F64-Y68 WeakPolarHBondContact O-CB 3.49Å; F64-Y68 PolarHBondContact O-N 3.26Å; F64-C111 HydrophobicContact CE2-CB 3.93Å; F64-C111 WeakPolarHBondContact CE2-SG 3.41Å; F64-C111 HydrophobicContact CZ-CB 3.92Å; F64-L114 HydrophobicContact CE1-CD2 4.43Å; F64-L114 HydrophobicContact CZ-CD2 4.2Å; F64-V115 HydrophobicContact CD1-CG2 4.05Å; F64-V115 HydrophobicContact CE1-CG2 3.76Å; F64-L131 HydrophobicContact CD1-CD2 3.69Å; F64-L131 HydrophobicContact CE1-CD2 3.97Å; F64-M134 HydrophobicContact CD1-CB 4.21Å; F64-M134 HydrophobicContact CE1-CB 4.32Å; F64-M134 HydrophobicContact CG-CB 4.38Å; F64-C135 VanDerWaalsContact C-SG 3.5Å; F64-L138 HydrophobicContact CB-CD1 4.45Å; F64-L138 HydrophobicContact CD2-CD1 3.27Å; F64-L138 HydrophobicContact CE2-CD1 3.79Å; F64-L138 HydrophobicContact CG-CD1 4.19Å
65W90.8Very high87.9Confident16 Ų1637.4 Ų37.46%0.06116%0.161CC..Hα-helixtrans-64.5-37.9175.5-82.3113.3000112.4S61 Y68 G69 V77 N81 C135 M188S61-W65 WeakPolarHBondContact O-CB 3.37Å; S61-W65 VanDerWaalsContact O-CD1 3.23Å; S61-W65 PolarHBondContact O-N 2.84Å; W65-Y68 HydrophobicContact CE3-CD1 4.21Å; W65-Y68 HydrophobicContact CZ3-CD1 4.21Å; W65-Y68 HydrophobicContact CZ3-CE1 4.48Å; W65-Y68 WeakPolarHBondContact O-CB 3.2Å; W65-Y68 PolarHBondContact O-N 3.39Å; W65-G69 PolarHBondContact O-N 3.27Å; W65-V77 HydrophobicContact CE3-CG1 4.06Å; W65-V77 WeakPolarHBondContact O-CG1 3.2Å; W65-N81 HydrophobicContact CB-CB 4.11Å; W65-N81 WeakPolarHBondContact CB-ND2 3.49Å; W65-N81 WeakPolarHBondContact CB-OD1 3.27Å; W65-C135 HydrophobicContact CD2-CB 3.87Å; W65-C135 HydrophobicContact CE3-CB 4.33Å; W65-C135 HydrophobicContact CG-CB 4.32Å; W65-C135 HydrophobicContact CH2-CB 4.27Å; W65-C135 HydrophobicContact CZ2-CB 3.81Å; W65-M188 HydrophobicContact CH2-CE 4.34Å; W65-M188 HydrophobicContact CH2-CG 4.07Å; W65-M188 HydrophobicContact CZ3-CE 4.07Å; W65-M188 HydrophobicContact CZ3-CG 4.11Å; W65-M188 HydrophobicContact CZ3-SD 4.19Å
66L92.7Very high88.4Confident16 Ų1637.8 Ų37.88%0.08416%0.163CC..Hα-helixtrans-60.5-47.3173.1177.161.3000110.9C62 F63 F64 Y68 G69 I70 I78 N81 L82C62-L66 WeakPolarHBondContact O-CB 3.22Å; C62-L66 PolarHBondContact O-N 3.49Å; F63-L66 WeakPolarHBondContact O-CB 3.46Å; F63-L66 PolarHBondContact O-N 3.45Å; F64-L66 VanDerWaalsContact C-N 3.34Å; F64-L66 PolarHBondContact O-N 2.96Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 3.12Å; L66-G69 PolarHBondContact O-N 3.35Å; L66-I70 HydrophobicContact CD1-CD1 4.22Å; L66-I70 HydrophobicContact CD1-CG1 4.48Å; L66-I70 HydrophobicContact CG-CD1 4.1Å; L66-I70 VanDerWaalsContact O-CG1 3.23Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; L66-I70 PolarHBondContact O-N 3.41Å; L66-I78 HydrophobicContact CD1-CB 4.34Å; L66-I78 HydrophobicContact CD1-CG2 3.85Å; L66-N81 HydrophobicContact CB-CB 4.07Å; L66-L82 HydrophobicContact CD1-CB 4.09Å; L66-L82 HydrophobicContact CD2-CD1 4.18Å
67Q93.8Very high88.8Confident31 Ų3137 Ų3715%0.14516%0.159CC..Hα-helixtrans-64.6-39178.4-65.7-63.6-35.800112.3F63 F64 I70 L71 V115 R119F63-Q67 HydrophobicContact CD1-CG 4.47Å; F63-Q67 HydrophobicContact CD2-CG 4.48Å; F63-Q67 HydrophobicContact CE1-CG 4.12Å; F63-Q67 HydrophobicContact CE2-CG 4.12Å; F63-Q67 HydrophobicContact CZ-CG 3.92Å; F63-Q67 VanDerWaalsContact O-CG 3.26Å; F63-Q67 WeakPolarHBondContact O-CG 3.26Å; F63-Q67 PolarHBondContact O-N 2.99Å; F64-Q67 PolarHBondContact O-N 3.37Å; Q67-I70 PolarHBondContact O-N 3.36Å; Q67-L71 PolarHBondContact O-N 3.35Å; Q67-L71 VanDerWaalsContact O-N 3.14Å; Q67-V115 HydrophobicContact CB-CG1 4.26Å; Q67-V115 HydrophobicContact CG-CG1 3.89Å; Q67-V115 HydrophobicContact CG-CG2 4.22Å; Q67-R119 PolarHBondContact O-NH2 3.41Å
68Y90.5Very high89.1Confident3 Ų338.8 Ų38.81%0.01217%0.168CC..Hα-helixtrans-61.5-51.4174.3-174.9-92.7000111.4F64 W65 L66 I70 L71 K72 I128 L131 D185 Y187F64-Y68 VanDerWaalsContact O-CB 3.29Å; F64-Y68 WeakPolarHBondContact O-CB 3.49Å; F64-Y68 PolarHBondContact O-N 3.26Å; W65-Y68 HydrophobicContact CE3-CD1 4.21Å; W65-Y68 HydrophobicContact CZ3-CD1 4.21Å; W65-Y68 HydrophobicContact CZ3-CE1 4.48Å; W65-Y68 WeakPolarHBondContact O-CB 3.2Å; W65-Y68 PolarHBondContact O-N 3.39Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 3.12Å; Y68-I70 VanDerWaalsContact C-N 3.32Å; Y68-I70 PolarHBondContact O-N 3.44Å; Y68-L71 PolarHBondContact O-N 2.9Å; Y68-L71 VanDerWaalsContact O-N 3.14Å; Y68-K72 HydrophobicContact CD1-CG 4.23Å; Y68-K72 HydrophobicContact CE1-CG 3.7Å; Y68-K72 PolarHBondContact O-N 3.28Å; Y68-K72 WeakPolarHBondContact OH-CE 3.45Å; Y68-I128 HydrophobicContact CE2-CG2 3.9Å; Y68-L131 HydrophobicContact CD2-CB 4.18Å; Y68-D185 VanDerWaalsContact OH-CG 3.31Å; Y68-D185 PolarHBondContact OH-OD1 3.35Å; Y68-D185 PolarHBondContact OH-OD2 2.97Å; Y68-Y187 HydrophobicContact CE2-CD2 4.16Å; Y68-Y187 HydrophobicContact CE2-CG 4.37Å; Y68-Y187 AromaticContact CZ-CD2 3.97Å; Y68-Y187 WeakPolarHBondContact OH-CD2 3.39Å
69G90.1Very high89.2Confident0 Ų042.3 Ų42.30%019%0.186CC..Hα-helixtrans-59.3-40.617700000112.5W65 L66 L71 K72 R73 D74 I78W65-G69 PolarHBondContact O-N 3.27Å; L66-G69 PolarHBondContact O-N 3.35Å; G69-L71 PolarHBondContact O-N 3.38Å; G69-K72 CarbonylContact O-C 3.44Å; G69-K72 PolarHBondContact O-N 2.81Å; G69-R73 CarbonylContact O-C 3.48Å; G69-R73 WeakPolarHBondContact O-CA 3.41Å; G69-R73 PolarHBondContact O-N 3.48Å; G69-D74 PolarHBondContact O-N 3.21Å; G69-I78 VanDerWaalsContact C-CG1 3.44Å
70I92.2Very high89.1Confident72 Ų7242.6 Ų42.637%0.36919%0.187SC..Hα-helixtrans-59-45.7174.7-71.5166000111.2L66 Q67 Y68 R73 I78L66-I70 HydrophobicContact CD1-CD1 4.22Å; L66-I70 HydrophobicContact CD1-CG1 4.48Å; L66-I70 HydrophobicContact CG-CD1 4.1Å; L66-I70 VanDerWaalsContact O-CG1 3.23Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; L66-I70 PolarHBondContact O-N 3.41Å; Q67-I70 PolarHBondContact O-N 3.36Å; Y68-I70 VanDerWaalsContact C-N 3.32Å; Y68-I70 PolarHBondContact O-N 3.44Å; I70-R73 PolarHBondContact O-N 2.96Å; I70-I78 HydrophobicContact CG1-CD1 4.13Å; I70-I78 HydrophobicContact CG1-CG1 4.03Å
71L90.3Very high89.1Confident18 Ų1843.2 Ų43.29%0.09419%0.19CC..Hα-helixtrans-66.6-49.3179.1-74.6168.3000111.2Q67 Y68 G69 R73 Y124 T127 I128 L131Q67-L71 PolarHBondContact O-N 3.35Å; Q67-L71 VanDerWaalsContact O-N 3.14Å; Y68-L71 PolarHBondContact O-N 2.9Å; Y68-L71 VanDerWaalsContact O-N 3.14Å; G69-L71 PolarHBondContact O-N 3.38Å; L71-R73 PolarHBondContact O-N 3.19Å; L71-R73 VanDerWaalsContact O-N 3.14Å; L71-Y124 HydrophobicContact CB-CE2 4.36Å; L71-Y124 HydrophobicContact CD2-CD2 4.13Å; L71-Y124 HydrophobicContact CD2-CE2 3.86Å; L71-Y124 PolarHBondContact O-OH 2.82Å; L71-T127 HydrophobicContact CD1-CG2 3.8Å; L71-I128 HydrophobicContact CB-CD1 4.14Å; L71-I128 HydrophobicContact CB-CG1 3.92Å; L71-I128 HydrophobicContact CD1-CG1 4.1Å; L71-L131 HydrophobicContact CD1-CD1 3.3Å
72K87Confident89.1Confident80 Ų8046.7 Ų46.735%0.34821%0.207SC..Hα-helixtrans-66.1-11.5176.3-75.4-71-165.5173.30114.1Y68 G69 D74 I128 D185Y68-K72 HydrophobicContact CD1-CG 4.23Å; Y68-K72 HydrophobicContact CE1-CG 3.7Å; Y68-K72 PolarHBondContact O-N 3.28Å; Y68-K72 WeakPolarHBondContact OH-CE 3.45Å; G69-K72 CarbonylContact O-C 3.44Å; G69-K72 PolarHBondContact O-N 2.81Å; K72-D74 HydrophobicContact CB-CB 4.34Å; K72-D74 PolarHBondContact O-N 2.88Å; K72-I128 HydrophobicContact CD-CD1 4.15Å; K72-I128 HydrophobicContact CG-CD1 4.45Å; K72-D185 WeakPolarHBondContact CE-OD2 3.5Å; K72-D185 IonicContact NZ-OD2 3.85Å
73R88.6Confident89Confident216 Ų21649.6 Ų49.682%0.81522%0.222SC*.THydrogen-bonded Turntrans57.331.8-171.6-56-179.8177.1177.7-1.6112.8G69 I70 L71 R75G69-R73 CarbonylContact O-C 3.48Å; G69-R73 WeakPolarHBondContact O-CA 3.41Å; G69-R73 PolarHBondContact O-N 3.48Å; I70-R73 PolarHBondContact O-N 2.96Å; L71-R73 PolarHBondContact O-N 3.19Å; L71-R73 VanDerWaalsContact O-N 3.14Å; R73-R75 PolarHBondContact O-N 3.4Å
74D84.5Confident88.7Confident21 Ų2148.5 Ų48.511%0.11222%0.217CC..  trans-86.5102.5177.9-174.3-34.6000109.9G69 K72 I76 V77 I78 Y179G69-D74 PolarHBondContact O-N 3.21Å; K72-D74 HydrophobicContact CB-CB 4.34Å; K72-D74 PolarHBondContact O-N 2.88Å; D74-I76 PolarHBondContact O-N 2.99Å; D74-I76 WeakPolarHBondContact OD1-CB 3.11Å; D74-I76 PolarHBondContact OD1-N 3.27Å; D74-V77 HydrophobicContact CB-CB 4.12Å; D74-V77 HydrophobicContact CB-CG2 4.19Å; D74-V77 VanDerWaalsContact CG-CG2 3.48Å; D74-V77 PolarHBondContact O-N 3.1Å; D74-V77 PolarHBondContact OD1-N 3.14Å; D74-V77 WeakPolarHBondContact OD2-CG2 3.19Å; D74-I78 WeakPolarHBondContact O-CB 3.26Å; D74-I78 WeakPolarHBondContact O-CD1 3.49Å; D74-I78 WeakPolarHBondContact O-CG1 3.42Å; D74-I78 PolarHBondContact O-N 3.01Å; D74-Y179 PolarHBondContact OD1-OH 3.02Å; D74-Y179 WeakPolarHBondContact OD2-CE1 3.13Å; D74-Y179 PolarHBondContact OD2-OH 3.35Å
75R85.5Confident88.6Confident216 Ų21650 Ų5082%0.81522%0.224SC*.Hα-helixtrans-62.1-32.1-177-63.5-178.3-178.2176.60.3113R73 L79R73-R75 PolarHBondContact O-N 3.4Å; R75-L79 WeakPolarHBondContact O-CB 3.2Å; R75-L79 PolarHBondContact O-N 2.89Å
76I82.9Confident88.5Confident17 Ų1752.5 Ų52.59%0.08724%0.243CC..Hα-helixtrans-72.2-49.9-176.4-69.6168.6000109.1L11 S15 D74 I78 L79 I80 W176 Y179L11-I76 HydrophobicContact CB-CD1 4.1Å; S15-I76 VanDerWaalsContact CB-CG2 3.43Å; S15-I76 VanDerWaalsContact OG-CG2 3.31Å; S15-I76 WeakPolarHBondContact OG-CG2 3.43Å; D74-I76 PolarHBondContact O-N 2.99Å; D74-I76 WeakPolarHBondContact OD1-CB 3.11Å; D74-I76 PolarHBondContact OD1-N 3.27Å; I76-I78 VanDerWaalsContact C-N 3.29Å; I76-I78 PolarHBondContact O-N 3.12Å; I76-L79 PolarHBondContact O-N 2.87Å; I76-I80 HydrophobicContact CG2-CD1 4.06Å; I76-I80 PolarHBondContact O-N 2.86Å; I76-I80 VanDerWaalsContact O-N 3.14Å; I76-W176 HydrophobicContact CG2-CH2 4.39Å; I76-Y179 HydrophobicContact CB-CE2 4.18Å; I76-Y179 HydrophobicContact CD1-CE2 3.63Å; I76-Y179 HydrophobicContact CG1-CE2 4.5Å; I76-Y179 HydrophobicContact CG2-CE2 3.8Å
77V85.4Confident88.1Confident1 Ų154.4 Ų54.41%0.00625%0.253CS..Hα-helixtrans-61.1-41.2176.5175.40000110.6W65 D74 N81 W176 Y179 M188W65-V77 HydrophobicContact CE3-CG1 4.06Å; W65-V77 WeakPolarHBondContact O-CG1 3.2Å; D74-V77 HydrophobicContact CB-CB 4.12Å; D74-V77 HydrophobicContact CB-CG2 4.19Å; D74-V77 VanDerWaalsContact CG-CG2 3.48Å; D74-V77 PolarHBondContact O-N 3.1Å; D74-V77 PolarHBondContact OD1-N 3.14Å; D74-V77 WeakPolarHBondContact OD2-CG2 3.19Å; V77-N81 WeakPolarHBondContact O-CB 2.98Å; V77-N81 PolarHBondContact O-N 3.22Å; V77-N81 PolarHBondContact O-ND2 3.33Å; V77-W176 HydrophobicContact CG2-CH2 4.36Å; V77-W176 HydrophobicContact CG2-CZ3 4.07Å; V77-Y179 HydrophobicContact CG2-CE1 4.15Å; V77-M188 HydrophobicContact CG2-CE 4.16Å; V77-M188 HydrophobicContact CG2-SD 4.39Å
78I88.9Confident87.8Confident44 Ų4453.1 Ų53.123%0.22625%0.247CC..Hα-helixtrans-59.6-53.4175.8-68.5164.8000110.9L66 G69 I70 D74 I76 I80 N81 L82L66-I78 HydrophobicContact CD1-CB 4.34Å; L66-I78 HydrophobicContact CD1-CG2 3.85Å; G69-I78 VanDerWaalsContact C-CG1 3.44Å; I70-I78 HydrophobicContact CG1-CD1 4.13Å; I70-I78 HydrophobicContact CG1-CG1 4.03Å; D74-I78 WeakPolarHBondContact O-CB 3.26Å; D74-I78 WeakPolarHBondContact O-CD1 3.49Å; D74-I78 WeakPolarHBondContact O-CG1 3.42Å; D74-I78 PolarHBondContact O-N 3.01Å; I76-I78 VanDerWaalsContact C-N 3.29Å; I76-I78 PolarHBondContact O-N 3.12Å; I78-I80 PolarHBondContact O-N 3.47Å; I78-N81 PolarHBondContact O-N 3.4Å; I78-L82 WeakPolarHBondContact O-CB 3.26Å; I78-L82 PolarHBondContact O-N 2.98Å
79L86.4Confident87.6Confident86 Ų8655.9 Ų55.945%0.4526%0.264SS..Hα-helixtrans-60.4-50.1-173.3178.963.8000111.9R75 I76 N81 L82 I83R75-L79 WeakPolarHBondContact O-CB 3.2Å; R75-L79 PolarHBondContact O-N 2.89Å; I76-L79 PolarHBondContact O-N 2.87Å; L79-N81 PolarHBondContact O-N 3.48Å; L79-L82 PolarHBondContact O-N 2.88Å; L79-I83 HydrophobicContact CD1-CD1 4.07Å; L79-I83 HydrophobicContact CG-CD1 4.2Å; L79-I83 WeakPolarHBondContact O-CG1 3.17Å; L79-I83 PolarHBondContact O-N 3.45Å; L79-I83 VanDerWaalsContact O-N 3.12Å
80I85.6Confident87.4Confident8 Ų859.3 Ų59.34%0.04128%0.284CS..Hα-helixtrans-64.9-43.8-175.9-67.2167.4000110.8A18 T19 I76 I78 I83 G84 W176A18-I80 HydrophobicContact CB-CD1 4.08Å; T19-I80 HydrophobicContact CG2-CG1 4.47Å; T19-I80 WeakPolarHBondContact OG1-CG1 3.46Å; I76-I80 HydrophobicContact CG2-CD1 4.06Å; I76-I80 PolarHBondContact O-N 2.86Å; I76-I80 VanDerWaalsContact O-N 3.14Å; I78-I80 PolarHBondContact O-N 3.47Å; I80-I83 PolarHBondContact O-N 2.9Å; I80-G84 PolarHBondContact O-N 3.25Å; I80-W176 HydrophobicContact CB-CZ2 4.33Å; I80-W176 HydrophobicContact CD1-CH2 3.63Å; I80-W176 HydrophobicContact CD1-CZ2 3.52Å; I80-W176 HydrophobicContact CG2-CZ2 4.05Å
81N89.4Confident86.8Confident17 Ų1756.3 Ų56.39%0.09127%0.269CS..Hα-helixtrans-76.3-26.4-178.2-72.3-78.7000113W65 L66 V77 I78 L79 F85W65-N81 HydrophobicContact CB-CB 4.11Å; W65-N81 WeakPolarHBondContact CB-ND2 3.49Å; W65-N81 WeakPolarHBondContact CB-OD1 3.27Å; L66-N81 HydrophobicContact CB-CB 4.07Å; V77-N81 WeakPolarHBondContact O-CB 2.98Å; V77-N81 PolarHBondContact O-N 3.22Å; V77-N81 PolarHBondContact O-ND2 3.33Å; I78-N81 PolarHBondContact O-N 3.4Å; L79-N81 PolarHBondContact O-N 3.48Å; N81-F85 WeakPolarHBondContact O-CB 3.19Å; N81-F85 PolarHBondContact O-N 2.94Å
82L90.5Very high86.3Confident80 Ų8057 Ų5742%0.41927%0.271SS..Hα-helixtrans-64.4-49.5170.3179.762.2000110.8L66 I78 L79 G84 F85 C86L66-L82 HydrophobicContact CD1-CB 4.09Å; L66-L82 HydrophobicContact CD2-CD1 4.18Å; I78-L82 WeakPolarHBondContact O-CB 3.26Å; I78-L82 PolarHBondContact O-N 2.98Å; L79-L82 PolarHBondContact O-N 2.88Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.24Å; L82-F85 PolarHBondContact O-N 2.91Å; L82-C86 PolarHBondContact O-N 3.16Å; L82-C86 PolarHBondContact O-SG 2.97Å
83I87.9Confident86.1Confident68 Ų6859.2 Ų59.235%0.34928%0.281SS..Hα-helixtrans-59.6-47.8176.9-65.9167.5000110.2T19 L79 I80 F85 C86 L87T19-I83 HydrophobicContact CG2-CD1 4.13Å; L79-I83 HydrophobicContact CD1-CD1 4.07Å; L79-I83 HydrophobicContact CG-CD1 4.2Å; L79-I83 WeakPolarHBondContact O-CG1 3.17Å; L79-I83 PolarHBondContact O-N 3.45Å; L79-I83 VanDerWaalsContact O-N 3.12Å; I80-I83 PolarHBondContact O-N 2.9Å; I83-F85 PolarHBondContact O-N 3.27Å; I83-C86 PolarHBondContact O-N 3.3Å; I83-L87 HydrophobicContact CG2-CD1 4.09Å; I83-L87 WeakPolarHBondContact O-CG 3.45Å; I83-L87 PolarHBondContact O-N 2.87Å; I83-L87 VanDerWaalsContact O-N 3.09Å
84G86.8Confident85.6Confident0 Ų050.5 Ų50.50%025%0.25CC..Hα-helixtrans-58.9-46177.200000112.8I80 L82 C86 L87 E88I80-G84 PolarHBondContact O-N 3.25Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.24Å; G84-C86 PolarHBondContact O-N 2.91Å; G84-L87 PolarHBondContact O-N 3.5Å; G84-E88 WeakPolarHBondContact O-CG 3.28Å; G84-E88 PolarHBondContact O-N 3.24Å
85F89.8Confident85.1Confident41 Ų4149.7 Ų49.718%0.1825%0.246CC..Hα-helixtrans-61.1-45177.8-176.3-104.2000111.9I59 C62 F63 N81 L82 I83 L87 E88 V89I59-F85 HydrophobicContact CD1-CE2 4.33Å; I59-F85 HydrophobicContact CG1-CD2 3.96Å; I59-F85 HydrophobicContact CG1-CE2 3.78Å; C62-F85 HydrophobicContact CB-CB 3.88Å; C62-F85 HydrophobicContact CB-CD2 4.36Å; F63-F85 HydrophobicContact CB-CD2 3.97Å; F63-F85 HydrophobicContact CB-CE2 3.83Å; F63-F85 HydrophobicContact CD2-CE2 4.06Å; F63-F85 HydrophobicContact CD2-CZ 4.25Å; F63-F85 HydrophobicContact CG-CE2 4.35Å; N81-F85 WeakPolarHBondContact O-CB 3.19Å; N81-F85 PolarHBondContact O-N 2.94Å; L82-F85 PolarHBondContact O-N 2.91Å; I83-F85 PolarHBondContact O-N 3.27Å; F85-L87 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3.39Å; F85-E88 PolarHBondContact O-N 2.95Å; F85-V89 HydrophobicContact CD1-CG2 4.14Å; F85-V89 HydrophobicContact CE1-CG2 3.8Å; F85-V89 HydrophobicContact CE2-CG2 4.26Å; F85-V89 HydrophobicContact CZ-CG2 3.86Å; F85-V89 VanDerWaalsContact O-CG2 3.28Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 3.01Å
86C89.2Confident84.8Confident67 Ų6744.7 Ų44.745%0.45323%0.227SC..Hα-helixtrans-59.2-44176.2-70.10000112.1L82 I83 G84 V89 V90L82-C86 PolarHBondContact O-N 3.16Å; L82-C86 PolarHBondContact O-SG 2.97Å; I83-C86 PolarHBondContact O-N 3.3Å; G84-C86 PolarHBondContact O-N 2.91Å; C86-V89 PolarHBondContact O-N 3.35Å; C86-V90 WeakPolarHBondContact O-CG2 3.45Å; C86-V90 PolarHBondContact O-N 3.26Å; C86-V90 VanDerWaalsContact O-N 3.11Å
87L85.5Confident84.6Confident57 Ų5748 Ų4830%0.29825%0.245SC..Hα-helixtrans-65.6-41.7178.7-69.1171.7000112.2F26 I83 G84 F85 V90 Y91F26-L87 HydrophobicContact CB-CB 4.1Å; F26-L87 HydrophobicContact CB-CD1 3.44Å; F26-L87 VanDerWaalsContact CB-CD1 3.44Å; F26-L87 HydrophobicContact CB-CG 4.39Å; F26-L87 HydrophobicContact CD2-CD1 4.19Å; F26-L87 HydrophobicContact CG-CB 4.46Å; F26-L87 HydrophobicContact CG-CD1 3.97Å; I83-L87 HydrophobicContact CG2-CD1 4.09Å; I83-L87 WeakPolarHBondContact O-CG 3.45Å; I83-L87 PolarHBondContact O-N 2.87Å; I83-L87 VanDerWaalsContact O-N 3.09Å; G84-L87 PolarHBondContact O-N 3.5Å; F85-L87 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3.39Å; L87-V90 PolarHBondContact O-N 2.75Å; L87-Y91 PolarHBondContact O-N 3.31Å
88E86Confident84.1Confident3 Ų355.3 Ų55.31%0.01427%0.273CS..Hα-helixtrans-67.9-34.2176.5-70.8-65.116100112.2F26 N29 I59 G84 F85 Y91 F92F26-E88 HydrophobicContact CD1-CG 4.15Å; F26-E88 HydrophobicContact CE1-CG 4.07Å; N29-E88 PolarHBondContact ND2-OE1 3.28Å; N29-E88 VanDerWaalsContact ND2-OE1 3.1Å; I59-E88 HydrophobicContact CB-CB 3.87Å; I59-E88 HydrophobicContact CD1-CB 3.97Å; I59-E88 HydrophobicContact CG1-CB 4.02Å; G84-E88 WeakPolarHBondContact O-CG 3.28Å; G84-E88 PolarHBondContact O-N 3.24Å; F85-E88 PolarHBondContact O-N 2.95Å; E88-Y91 WeakPolarHBondContact O-CB 3.47Å; E88-Y91 PolarHBondContact O-N 2.87Å; E88-F92 WeakPolarHBondContact O-CB 3.23Å; E88-F92 PolarHBondContact O-N 3.43Å
89V87Confident83.2Confident61 Ų6155.2 Ų55.237%0.3728%0.276SS..Hα-helixtrans-63.1-44.3173.2167.40000110.6I59 F85 C86 Y91 F92 F93I59-V89 HydrophobicContact CD1-CB 4.49Å; I59-V89 HydrophobicContact CD1-CG2 3.76Å; F85-V89 HydrophobicContact CD1-CG2 4.14Å; F85-V89 HydrophobicContact CE1-CG2 3.8Å; F85-V89 HydrophobicContact CE2-CG2 4.26Å; F85-V89 HydrophobicContact CZ-CG2 3.86Å; F85-V89 VanDerWaalsContact O-CG2 3.28Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 3.01Å; C86-V89 PolarHBondContact O-N 3.35Å; V89-Y91 VanDerWaalsContact C-N 3.35Å; V89-F92 PolarHBondContact O-N 3.35Å; V89-F93 WeakPolarHBondContact O-CB 3.4Å; V89-F93 PolarHBondContact O-N 3.43Å
90V86Confident82.4Confident72 Ų7261.2 Ų61.244%0.43629%0.293SS..Hα-helixtrans-61.8-44.5175.6172.90000110.9L30 C86 L87 F92 F93 I94L30-V90 HydrophobicContact CD1-CG1 4.18Å; C86-V90 WeakPolarHBondContact O-CG2 3.45Å; C86-V90 PolarHBondContact O-N 3.26Å; C86-V90 VanDerWaalsContact O-N 3.11Å; L87-V90 PolarHBondContact O-N 2.75Å; V90-F92 PolarHBondContact O-N 3.39Å; V90-F93 PolarHBondContact O-N 3.21Å; V90-I94 HydrophobicContact CG1-CD1 4.27Å; V90-I94 WeakPolarHBondContact O-CG1 3.37Å; V90-I94 PolarHBondContact O-N 3.49Å; V90-I94 VanDerWaalsContact O-N 3.08Å
91Y79.5Confident81.6Confident10 Ų1064.4 Ų64.44%0.03930%0.304CS..Hα-helixtrans-57.6-47.8175175.6-87.6000111.8N29 A33 N52 S55 L87 E88 V89 F93 I94 L95N29-Y91 HydrophobicContact CB-CD2 4.38Å; N29-Y91 HydrophobicContact CB-CE2 4.42Å; N29-Y91 WeakPolarHBondContact O-CE2 3.46Å; A33-Y91 HydrophobicContact CB-CD2 3.51Å; A33-Y91 HydrophobicContact CB-CE2 3.13Å; N52-Y91 PolarHBondContact OD1-OH 3.34Å; S55-Y91 VanDerWaalsContact OG-CE1 3.23Å; S55-Y91 WeakPolarHBondContact OG-CE1 3.49Å; L87-Y91 PolarHBondContact O-N 3.31Å; E88-Y91 WeakPolarHBondContact O-CB 3.47Å; E88-Y91 PolarHBondContact O-N 2.87Å; V89-Y91 VanDerWaalsContact C-N 3.35Å; Y91-F93 VanDerWaalsContact C-N 3.35Å; Y91-F93 PolarHBondContact O-N 3.13Å; Y91-I94 PolarHBondContact O-N 3.42Å; Y91-L95 HydrophobicContact CD1-CD1 4.03Å; Y91-L95 HydrophobicContact CD1-CG 4.31Å; Y91-L95 HydrophobicContact CE1-CD1 3.23Å; Y91-L95 HydrophobicContact CE1-CG 3.81Å; Y91-L95 PolarHBondContact O-N 3.33Å
92F79.7Confident80.8Confident33 Ų3370.4 Ų70.415%0.14533%0.33CS..Hα-helixtrans-65.6-38.1178.8179.5-107.1000112.1E88 V89 V90 I94 L95 Y96 R101 A104E88-F92 WeakPolarHBondContact O-CB 3.23Å; E88-F92 PolarHBondContact O-N 3.43Å; V89-F92 PolarHBondContact O-N 3.35Å; V90-F92 PolarHBondContact O-N 3.39Å; F92-I94 VanDerWaalsContact C-N 3.31Å; F92-I94 PolarHBondContact O-N 3.36Å; F92-L95 CarbonylContact O-C 3.57Å; F92-L95 PolarHBondContact O-N 3.25Å; F92-Y96 HydrophobicContact CZ-CD2 4.43Å; F92-Y96 WeakPolarHBondContact O-CB 3.36Å; F92-Y96 PolarHBondContact O-N 3.4Å; F92-R101 WeakPolarHBondContact CE2-O 3.34Å; F92-R101 WeakPolarHBondContact CZ-O 3.48Å; F92-A104 HydrophobicContact CD2-CB 3.21Å; F92-A104 HydrophobicContact CE1-CB 4.48Å; F92-A104 HydrophobicContact CE2-CB 3.16Å; F92-A104 HydrophobicContact CG-CB 3.93Å; F92-A104 HydrophobicContact CZ-CB 3.86Å
93F83Confident80Confident126 Ų12669.9 Ų69.955%0.55333%0.33SS*.Hα-helixtrans-60.6-42.1176.3-176.1-106.7000111.7V89 V90 Y91 Y96 I97V89-F93 WeakPolarHBondContact O-CB 3.4Å; V89-F93 PolarHBondContact O-N 3.43Å; V90-F93 PolarHBondContact O-N 3.21Å; Y91-F93 VanDerWaalsContact C-N 3.35Å; Y91-F93 PolarHBondContact O-N 3.13Å; F93-Y96 PolarHBondContact O-N 3.5Å; F93-I97 HydrophobicContact CD1-CD1 3.87Å; F93-I97 HydrophobicContact CE1-CD1 3.36Å; F93-I97 HydrophobicContact CE1-CG1 4.47Å; F93-I97 HydrophobicContact CE2-CD1 4.23Å; F93-I97 HydrophobicContact CG-CD1 4.5Å; F93-I97 HydrophobicContact CZ-CD1 3.58Å; F93-I97 HydrophobicContact CZ-CG1 4.43Å; F93-I97 WeakPolarHBondContact O-CG1 3.25Å; F93-I97 PolarHBondContact O-N 2.89Å
94I78.8Confident79.3Confident32 Ų3266.7 Ų66.716%0.16431%0.314CS..Hα-helixtrans-60.6-50.2172.5-66.5167.3000110L30 V90 Y91 F92 Y96 I97 Y98L30-I94 HydrophobicContact CD1-CD1 3.56Å; V90-I94 HydrophobicContact CG1-CD1 4.27Å; V90-I94 WeakPolarHBondContact O-CG1 3.37Å; V90-I94 PolarHBondContact O-N 3.49Å; V90-I94 VanDerWaalsContact O-N 3.08Å; Y91-I94 PolarHBondContact O-N 3.42Å; F92-I94 VanDerWaalsContact C-N 3.31Å; F92-I94 PolarHBondContact O-N 3.36Å; I94-Y96 VanDerWaalsContact C-N 3.28Å; I94-Y96 PolarHBondContact O-N 2.91Å; I94-I97 PolarHBondContact O-N 3.5Å; I94-Y98 HydrophobicContact CG2-CD2 3.78Å; I94-Y98 HydrophobicContact CG2-CE2 4.13Å; I94-Y98 VanDerWaalsContact O-CD2 3.25Å; I94-Y98 WeakPolarHBondContact O-CD2 3.43Å; I94-Y98 PolarHBondContact O-N 3.34Å
95L73.9Confident78.9Confident4 Ų467.8 Ų67.82%0.02133%0.325CS..Hα-helixtrans-60.5-37.7177.6-72.5-169.6000112.9Y91 F92 S99 R100Y91-L95 HydrophobicContact CD1-CD1 4.03Å; Y91-L95 HydrophobicContact CD1-CG 4.31Å; Y91-L95 HydrophobicContact CE1-CD1 3.23Å; Y91-L95 HydrophobicContact CE1-CG 3.81Å; Y91-L95 PolarHBondContact O-N 3.33Å; F92-L95 CarbonylContact O-C 3.57Å; F92-L95 PolarHBondContact O-N 3.25Å; L95-S99 WeakPolarHBondContact O-CA 3.22Å; L95-S99 WeakPolarHBondContact O-CB 3.32Å; L95-S99 PolarHBondContact O-N 2.8Å; L95-S99 PolarHBondContact O-OG 3.48Å; L95-R100 PolarHBondContact O-N 3.49Å
96Y78.1Confident78.6Confident111 Ų11168.7 Ų68.744%0.43534%0.34SS..Hα-helixtrans-61.8-45.7178.1177.4-91.9000111F92 F93 I94 R100 K102F92-Y96 HydrophobicContact CZ-CD2 4.43Å; F92-Y96 WeakPolarHBondContact O-CB 3.36Å; F92-Y96 PolarHBondContact O-N 3.4Å; F93-Y96 PolarHBondContact O-N 3.5Å; I94-Y96 VanDerWaalsContact C-N 3.28Å; I94-Y96 PolarHBondContact O-N 2.91Å; Y96-R100 WeakPolarHBondContact O-CA 3.34Å; Y96-R100 PolarHBondContact O-N 2.86Å; Y96-R100 VanDerWaalsContact O-N 3.16Å; Y96-K102 HydrophobicContact CD2-CG 4.47Å; Y96-K102 HydrophobicContact CE2-CG 4.02Å
97I80.3Confident78.3Confident88 Ų8868.8 Ų68.845%0.45133%0.334SS..Hα-helixtrans-65.8-51.7178.8-68.2171.8000111F93 I94F93-I97 HydrophobicContact CD1-CD1 3.87Å; F93-I97 HydrophobicContact CE1-CD1 3.36Å; F93-I97 HydrophobicContact CE1-CG1 4.47Å; F93-I97 HydrophobicContact CE2-CD1 4.23Å; F93-I97 HydrophobicContact CG-CD1 4.5Å; F93-I97 HydrophobicContact CZ-CD1 3.58Å; F93-I97 HydrophobicContact CZ-CG1 4.43Å; F93-I97 WeakPolarHBondContact O-CG1 3.25Å; F93-I97 PolarHBondContact O-N 2.89Å; I94-I97 PolarHBondContact O-N 3.5Å
98Y73.5Confident78.2Confident154 Ų15467.6 Ų67.660%0.60433%0.328SS*.Hα-helixtrans-86.6-34.8-168.2-71.1-78.4000114.1V37 I94V37-Y98 HydrophobicContact CG1-CD1 3.58Å; V37-Y98 HydrophobicContact CG1-CD2 4.32Å; V37-Y98 HydrophobicContact CG1-CE1 4.16Å; V37-Y98 HydrophobicContact CG1-CG 3.68Å; V37-Y98 HydrophobicContact CG2-CD2 4.45Å; V37-Y98 HydrophobicContact CG2-CG 4.19Å; I94-Y98 HydrophobicContact CG2-CD2 3.78Å; I94-Y98 HydrophobicContact CG2-CE2 4.13Å; I94-Y98 VanDerWaalsContact O-CD2 3.25Å; I94-Y98 WeakPolarHBondContact O-CD2 3.43Å; I94-Y98 PolarHBondContact O-N 3.34Å
99S69.8Low78.2Confident41 Ų4172.2 Ų72.229%0.28736%0.357SS..Hα-helixtrans-107.1-2.6-177.873.20000113.8L95 R101L95-S99 WeakPolarHBondContact O-CA 3.22Å; L95-S99 WeakPolarHBondContact O-CB 3.32Å; L95-S99 PolarHBondContact O-N 2.8Å; L95-S99 PolarHBondContact O-OG 3.48Å; S99-R101 PolarHBondContact O-N 2.94Å; S99-R101 WeakPolarHBondContact OG-CG 3.33Å
100R70.7Confident78.3Confident213 Ų21374.1 Ų74.180%0.80437%0.368SS*.  trans53.422.1-176.8-62-169.5177.3-175.90.6114.7L95 Y96 K102L95-R100 PolarHBondContact O-N 3.49Å; Y96-R100 WeakPolarHBondContact O-CA 3.34Å; Y96-R100 PolarHBondContact O-N 2.86Å; Y96-R100 VanDerWaalsContact O-N 3.16Å; R100-K102 PolarHBondContact O-N 3.36Å
101R67.4Low78.5Confident74 Ų7471.4 Ų71.428%0.27935%0.353SS..  trans-79118.5-178.8-66.1-173.888.3-130.7-5.2110.3N52 E56 F92 S99N52-R101 PolarHBondContact ND2-NH1 3.44Å; E56-R101 IonicContact OE1-CZ 3.37Å; E56-R101 IonicContact OE1-NH1 2.77Å; E56-R101 PolarHBondContact OE1-NH1 2.89Å; E56-R101 IonicContact OE1-NH2 3.28Å; E56-R101 PolarHBondContact OE1-NH2 3.28Å; F92-R101 WeakPolarHBondContact CE2-O 3.34Å; F92-R101 WeakPolarHBondContact CZ-O 3.48Å; S99-R101 PolarHBondContact O-N 2.94Å; S99-R101 WeakPolarHBondContact OG-CG 3.33Å
102K72.8Confident79Confident144 Ų14472.9 Ų72.963%0.62637%0.367SS*.  trans-96.9-4.7-179.8-54.8-172180177.60114Y96 R100 A104 G105 A106Y96-K102 HydrophobicContact CD2-CG 4.47Å; Y96-K102 HydrophobicContact CE2-CG 4.02Å; R100-K102 PolarHBondContact O-N 3.36Å; K102-A104 PolarHBondContact O-N 3.47Å; K102-G105 PolarHBondContact O-N 2.97Å; K102-A106 PolarHBondContact O-N 2.68Å
103V74.8Confident79.6Confident68 Ų6873.2 Ų73.241%0.41238%0.38SS..Hα-helixtrans-60.6-48.1-169.2-178.70000112.1G105 A106 M107V103-G105 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 3.37Å; V103-A106 PolarHBondContact O-N 3.09Å; V103-M107 HydrophobicContact CG1-CG 4.43Å; V103-M107 HydrophobicContact CG1-SD 4.12Å; V103-M107 WeakPolarHBondContact O-CG 3.18Å; V103-M107 PolarHBondContact O-N 3.36Å
104A72.4Confident79.9Confident2 Ų270.5 Ų70.52%0.01737%0.37CS..Hα-helixtrans-66.3-33.9-178.400000112.5E56 F92 K102 A106 M107 I108E56-A104 HydrophobicContact CG-CB 3.89Å; F92-A104 HydrophobicContact CD2-CB 3.21Å; F92-A104 HydrophobicContact CE1-CB 4.48Å; F92-A104 HydrophobicContact CE2-CB 3.16Å; F92-A104 HydrophobicContact CG-CB 3.93Å; F92-A104 HydrophobicContact CZ-CB 3.86Å; K102-A104 PolarHBondContact O-N 3.47Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A104-A106 PolarHBondContact O-N 2.79Å; A104-M107 PolarHBondContact O-N 3.32Å; A104-I108 WeakPolarHBondContact O-CD1 3.42Å; A104-I108 WeakPolarHBondContact O-CG1 3.19Å; A104-I108 PolarHBondContact O-N 2.81Å
105G78.7Confident80.4Confident23 Ų2369.2 Ų69.224%0.23736%0.364CS..Hα-helixtrans-60.1-4317400000112.3K102 V103 T109K102-G105 PolarHBondContact O-N 2.97Å; V103-G105 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 3.37Å; G105-T109 WeakPolarHBondContact O-CB 3.35Å; G105-T109 PolarHBondContact O-N 2.63Å; G105-T109 PolarHBondContact O-OG1 2.96Å
106A83.3Confident81.2Confident59 Ų5976.8 Ų76.849%0.48839%0.393SS..Hα-helixtrans-65.8-38.7174.100000112.4K102 V103 A104 T110K102-A106 PolarHBondContact O-N 2.68Å; V103-A106 PolarHBondContact O-N 3.09Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A104-A106 PolarHBondContact O-N 2.79Å; A106-T110 WeakPolarHBondContact O-CB 3.36Å; A106-T110 PolarHBondContact O-N 3.23Å; A106-T110 PolarHBondContact O-OG1 2.9Å
107M83.4Confident81.8Confident69 Ų6977.5 Ų77.534%0.3440%0.396SS..Hα-helixtrans-64.4-48.8176-67.7178105.800111.6E56 V103 A104 T109 T110 C111E56-M107 HydrophobicContact CB-SD 3.98Å; E56-M107 HydrophobicContact CG-SD 4.46Å; V103-M107 HydrophobicContact CG1-CG 4.43Å; V103-M107 HydrophobicContact CG1-SD 4.12Å; V103-M107 WeakPolarHBondContact O-CG 3.18Å; V103-M107 PolarHBondContact O-N 3.36Å; A104-M107 PolarHBondContact O-N 3.32Å; M107-T109 VanDerWaalsContact C-N 3.32Å; M107-T109 PolarHBondContact O-N 3.44Å; M107-T110 WeakPolarHBondContact O-CB 3.31Å; M107-T110 PolarHBondContact O-N 3.38Å; M107-C111 WeakPolarHBondContact O-CB 3.21Å; M107-C111 PolarHBondContact O-N 3.36Å; M107-C111 PolarHBondContact O-SG 3.47Å
108I83.1Confident82.2Confident32 Ų3273.8 Ų73.816%0.16438%0.377CS..Hα-helixtrans-61-43.1178.6-63.8157.5000110.6I59 A104 T110 C111 A112I59-I108 HydrophobicContact CD1-CD1 3.31Å; I59-I108 HydrophobicContact CD1-CG1 4.11Å; I59-I108 HydrophobicContact CG1-CD1 3.77Å; I59-I108 HydrophobicContact CG1-CG1 3.98Å; I59-I108 HydrophobicContact CG2-CD1 4.13Å; I59-I108 HydrophobicContact CG2-CG1 4.02Å; A104-I108 WeakPolarHBondContact O-CD1 3.42Å; A104-I108 WeakPolarHBondContact O-CG1 3.19Å; A104-I108 PolarHBondContact O-N 2.81Å; I108-T110 VanDerWaalsContact C-N 3.34Å; I108-T110 PolarHBondContact O-N 3.02Å; I108-C111 PolarHBondContact O-N 3.3Å; I108-A112 WeakPolarHBondContact O-CB 3.27Å; I108-A112 PolarHBondContact O-N 3.48Å
109T86.5Confident82.9Confident101 Ų10171 Ų7162%0.6237%0.365SS*.Hα-helixtrans-62.2-43.8177.6-54.70000110.9G105 M107 A112 G113G105-T109 WeakPolarHBondContact O-CB 3.35Å; G105-T109 PolarHBondContact O-N 2.63Å; G105-T109 PolarHBondContact O-OG1 2.96Å; M107-T109 VanDerWaalsContact C-N 3.32Å; M107-T109 PolarHBondContact O-N 3.44Å; T109-A112 PolarHBondContact O-N 3.41Å; T109-G113 PolarHBondContact O-N 2.83Å
110T88.4Confident83.9Confident100 Ų10073.1 Ų73.161%0.61338%0.377SS*.Hα-helixtrans-62.7-44.3174.9-56.80000111.6A106 M107 I108 G113 L114A106-T110 WeakPolarHBondContact O-CB 3.36Å; A106-T110 PolarHBondContact O-N 3.23Å; A106-T110 PolarHBondContact O-OG1 2.9Å; M107-T110 WeakPolarHBondContact O-CB 3.31Å; M107-T110 PolarHBondContact O-N 3.38Å; I108-T110 VanDerWaalsContact C-N 3.34Å; I108-T110 PolarHBondContact O-N 3.02Å; T110-G113 PolarHBondContact O-N 3.23Å; T110-L114 WeakPolarHBondContact O-CB 3.46Å; T110-L114 PolarHBondContact O-N 3.5Å
111C89.6Confident84.7Confident16 Ų1667.9 Ų67.911%0.10837%0.365CS..Hα-helixtrans-62.5-43176.5-67.80000111.7C60 F63 F64 M107 I108 L114 V115C60-C111 VanDerWaalsContact SG-SG 3.68Å; F63-C111 HydrophobicContact CD1-CB 3.93Å; F63-C111 HydrophobicContact CE1-CB 4.07Å; F64-C111 HydrophobicContact CE2-CB 3.93Å; F64-C111 WeakPolarHBondContact CE2-SG 3.41Å; F64-C111 HydrophobicContact CZ-CB 3.92Å; M107-C111 WeakPolarHBondContact O-CB 3.21Å; M107-C111 PolarHBondContact O-N 3.36Å; M107-C111 PolarHBondContact O-SG 3.47Å; I108-C111 PolarHBondContact O-N 3.3Å; C111-L114 PolarHBondContact O-N 3.47Å; C111-V115 WeakPolarHBondContact O-CG2 3.33Å; C111-V115 PolarHBondContact O-N 3.14Å
112A90.4Very high85.6Confident41 Ų4165.3 Ų65.334%0.33936%0.359SS..Hα-helixtrans-63.3-44176.300000111.7F63 I108 T109 L114 V115 Y116F63-A112 HydrophobicContact CE1-CB 4.45Å; F63-A112 HydrophobicContact CZ-CB 4.02Å; I108-A112 WeakPolarHBondContact O-CB 3.27Å; I108-A112 PolarHBondContact O-N 3.48Å; T109-A112 PolarHBondContact O-N 3.41Å; A112-L114 PolarHBondContact O-N 3.03Å; A112-V115 PolarHBondContact O-N 2.88Å; A112-Y116 WeakPolarHBondContact O-CB 3.12Å; A112-Y116 PolarHBondContact O-N 2.9Å
113G91.7Very high86.3Confident40 Ų4068.4 Ų68.441%0.41237%0.367SS..Hα-helixtrans-60.4-42.7173.700000112.7T109 T110 Y116 Y117T109-G113 PolarHBondContact O-N 2.83Å; T110-G113 PolarHBondContact O-N 3.23Å; G113-Y116 PolarHBondContact O-N 3.17Å; G113-Y117 VanDerWaalsContact O-CB 3.32Å; G113-Y117 WeakPolarHBondContact O-CB 3.48Å; G113-Y117 PolarHBondContact O-N 3.15Å
114L89.5Confident86.8Confident68 Ų6871 Ų7136%0.35637%0.37SS..Hα-helixtrans-63.6-46.3175.8178.562.7000111.8F64 T110 C111 A112 Y116 Y117 L118F64-L114 HydrophobicContact CE1-CD2 4.43Å; F64-L114 HydrophobicContact CZ-CD2 4.2Å; T110-L114 WeakPolarHBondContact O-CB 3.46Å; T110-L114 PolarHBondContact O-N 3.5Å; C111-L114 PolarHBondContact O-N 3.47Å; A112-L114 PolarHBondContact O-N 3.03Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Y116 PolarHBondContact O-N 3.3Å; L114-Y117 PolarHBondContact O-N 3Å; L114-L118 HydrophobicContact CD1-CD1 4.25Å; L114-L118 HydrophobicContact CD1-CG 4.21Å; L114-L118 HydrophobicContact CG-CD1 4.13Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.25Å; L114-L118 VanDerWaalsContact O-CG 3.26Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 3.26Å
115V89.6Confident87.4Confident5 Ų576.3 Ų76.33%0.0340%0.398CS..Hα-helixtrans-62-43.9177.3170.10000110.8F63 F64 Q67 C111 A112 L118 R119 L131F63-V115 HydrophobicContact CD1-CG2 4.41Å; F63-V115 HydrophobicContact CE1-CB 4.14Å; F63-V115 HydrophobicContact CE1-CG2 3.55Å; F63-V115 HydrophobicContact CZ-CB 4.36Å; F63-V115 HydrophobicContact CZ-CG2 4.2Å; F64-V115 HydrophobicContact CD1-CG2 4.05Å; F64-V115 HydrophobicContact CE1-CG2 3.76Å; Q67-V115 HydrophobicContact CB-CG1 4.26Å; Q67-V115 HydrophobicContact CG-CG1 3.89Å; Q67-V115 HydrophobicContact CG-CG2 4.22Å; C111-V115 WeakPolarHBondContact O-CG2 3.33Å; C111-V115 PolarHBondContact O-N 3.14Å; A112-V115 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact O-N 2.7Å; V115-R119 HydrophobicContact CG1-CG 4.35Å; V115-R119 WeakPolarHBondContact O-CB 3.36Å; V115-R119 WeakPolarHBondContact O-CG 3.45Å; V115-R119 PolarHBondContact O-N 2.91Å; V115-L131 HydrophobicContact CG2-CD2 3.81Å
116Y92.1Very high87.7Confident163 Ų16377.5 Ų77.564%0.63940%0.403SS*.Hα-helixtrans-59.6-49.8175.6177.6-98.9000111.3A112 G113 L114 L118 R119 V120A112-Y116 WeakPolarHBondContact O-CB 3.12Å; A112-Y116 PolarHBondContact O-N 2.9Å; G113-Y116 PolarHBondContact O-N 3.17Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Y116 PolarHBondContact O-N 3.3Å; Y116-L118 VanDerWaalsContact C-N 3.34Å; Y116-L118 PolarHBondContact O-N 3.42Å; Y116-R119 PolarHBondContact O-N 2.82Å; Y116-V120 HydrophobicContact CD2-CG2 4.39Å; Y116-V120 HydrophobicContact CE1-CG2 4.17Å; Y116-V120 HydrophobicContact CE2-CG2 4.01Å; Y116-V120 WeakPolarHBondContact O-CG2 3.47Å; Y116-V120 PolarHBondContact O-N 3Å
117Y90.1Very high87.9Confident127 Ų12774.9 Ų74.950%0.49838%0.381SS..Hα-helixtrans-55.6-47.3176.6171.8-96.6000111.9G113 L114 V120 N121G113-Y117 VanDerWaalsContact O-CB 3.32Å; G113-Y117 WeakPolarHBondContact O-CB 3.48Å; G113-Y117 PolarHBondContact O-N 3.15Å; L114-Y117 PolarHBondContact O-N 3Å; Y117-V120 PolarHBondContact O-N 3.34Å; Y117-N121 VanDerWaalsContact CD2-ND2 3.27Å; Y117-N121 WeakPolarHBondContact CD2-ND2 3.25Å; Y117-N121 HydrophobicContact CE2-CB 4.19Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.5Å; Y117-N121 WeakPolarHBondContact O-CB 3.34Å; Y117-N121 PolarHBondContact O-N 3.39Å; Y117-N121 PolarHBondContact O-ND2 3.26Å
118L88.6Confident88.1Confident9 Ų972 Ų725%0.04737%0.367CS..Hα-helixtrans-63.4-44.9178.6-70.7174.7000111.7L114 V115 Y116 V120 N121 A122 T127 R130 L131L114-L118 HydrophobicContact CD1-CD1 4.25Å; L114-L118 HydrophobicContact CD1-CG 4.21Å; L114-L118 HydrophobicContact CG-CD1 4.13Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.25Å; L114-L118 VanDerWaalsContact O-CG 3.26Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 3.26Å; V115-L118 PolarHBondContact O-N 2.7Å; Y116-L118 VanDerWaalsContact C-N 3.34Å; Y116-L118 PolarHBondContact O-N 3.42Å; L118-V120 VanDerWaalsContact C-N 3.27Å; L118-V120 PolarHBondContact O-N 3.49Å; L118-N121 PolarHBondContact O-N 2.95Å; L118-A122 WeakPolarHBondContact O-CB 3.25Å; L118-A122 PolarHBondContact O-N 3.35Å; L118-T127 HydrophobicContact CB-CG2 4.16Å; L118-T127 PolarHBondContact O-OG1 3.32Å; L118-T127 VanDerWaalsContact O-OG1 3.14Å; L118-R130 HydrophobicContact CD1-CB 4.26Å; L118-L131 HydrophobicContact CD1-CD2 4.21Å
119R87.9Confident88.1Confident95 Ų9573.6 Ų73.636%0.35838%0.376SS..Hα-helixtrans-62.6-32.8179.5-76.4179.6177.5-931.2113.1Q67 V115 Y116 T127Q67-R119 PolarHBondContact O-NH2 3.41Å; V115-R119 HydrophobicContact CG1-CG 4.35Å; V115-R119 WeakPolarHBondContact O-CB 3.36Å; V115-R119 WeakPolarHBondContact O-CG 3.45Å; V115-R119 PolarHBondContact O-N 2.91Å; Y116-R119 PolarHBondContact O-N 2.82Å; R119-T127 HydrophobicContact CG-CG2 4.38Å
120V90.5Very high88.1Confident87 Ų8774.7 Ų74.753%0.52737%0.369SS..Hα-helixtrans-84.4-39.41801750000112.2Y116 Y117 L118Y116-V120 HydrophobicContact CD2-CG2 4.39Å; Y116-V120 HydrophobicContact CE1-CG2 4.17Å; Y116-V120 HydrophobicContact CE2-CG2 4.01Å; Y116-V120 WeakPolarHBondContact O-CG2 3.47Å; Y116-V120 PolarHBondContact O-N 3Å; Y117-V120 PolarHBondContact O-N 3.34Å; L118-V120 VanDerWaalsContact C-N 3.27Å; L118-V120 PolarHBondContact O-N 3.49Å
121N87.6Confident88.1Confident103 Ų10369.9 Ų69.955%0.55134%0.339SS*.Hα-helixtrans-105.2-16.1-167.2-64.5-83.3000114.7Y117 L118Y117-N121 VanDerWaalsContact CD2-ND2 3.27Å; Y117-N121 WeakPolarHBondContact CD2-ND2 3.25Å; Y117-N121 HydrophobicContact CE2-CB 4.19Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.5Å; Y117-N121 WeakPolarHBondContact O-CB 3.34Å; Y117-N121 PolarHBondContact O-N 3.39Å; Y117-N121 PolarHBondContact O-ND2 3.26Å; L118-N121 PolarHBondContact O-N 2.95Å
122A85.8Confident87.9Confident20 Ų2069.1 Ų69.117%0.16533%0.334CS..SBendtrans-110.5147.4-177.900000111.7L118 T127L118-A122 WeakPolarHBondContact O-CB 3.25Å; L118-A122 PolarHBondContact O-N 3.35Å; A122-T127 WeakPolarHBondContact CB-OG1 3.49Å; A122-T127 PolarHBondContact O-OG1 3.34Å
123R87.3Confident87.5Confident208 Ų20870.1 Ų70.179%0.78534%0.336SS*.  trans-58.5149.4171-65.8-176.7178.3-179-0.4109.6D125 S126 T127R123-D125 VanDerWaalsContact C-N 3.31Å; R123-D125 PolarHBondContact O-N 2.99Å; R123-S126 WeakPolarHBondContact O-CB 3.23Å; R123-S126 PolarHBondContact O-N 3.38Å; R123-T127 PolarHBondContact O-N 3.49Å; R123-T127 PolarHBondContact O-OG1 2.87Å
124Y87Confident87.2Confident123 Ų12371.7 Ų71.748%0.48233%0.334SS..Hα-helixtrans-48.8-49.2-177.8175.9-95.6000113.1L71 S126 T127 I128L71-Y124 HydrophobicContact CB-CE2 4.36Å; L71-Y124 HydrophobicContact CD2-CD2 4.13Å; L71-Y124 HydrophobicContact CD2-CE2 3.86Å; L71-Y124 PolarHBondContact O-OH 2.82Å; Y124-S126 PolarHBondContact O-N 3.47Å; Y124-T127 WeakPolarHBondContact O-CB 3.41Å; Y124-T127 PolarHBondContact O-N 3.31Å; Y124-I128 HydrophobicContact CD1-CD1 4.04Å; Y124-I128 HydrophobicContact CE1-CD1 3.34Å; Y124-I128 HydrophobicContact CE1-CG1 4.37Å; Y124-I128 HydrophobicContact CE2-CD1 3.98Å; Y124-I128 PolarHBondContact O-N 3.39Å; Y124-I128 WeakPolarHBondContact OH-CD1 3.19Å
125D83.8Confident87.1Confident113 Ų11368.5 Ų68.560%0.60432%0.317SS*.Hα-helixtrans-64.2-42.7179.7-58.1-41.9000112.1R123 T127 I128 D129R123-D125 VanDerWaalsContact C-N 3.31Å; R123-D125 PolarHBondContact O-N 2.99Å; D125-T127 VanDerWaalsContact C-N 3.29Å; D125-T127 PolarHBondContact O-N 2.83Å; D125-I128 PolarHBondContact O-N 2.84Å; D125-D129 WeakPolarHBondContact O-CB 3.48Å; D125-D129 PolarHBondContact O-N 2.99Å
126S86Confident86.8Confident49 Ų4968.8 Ų68.834%0.34332%0.318SS..Hα-helixtrans-63.9-35.8176-55.90000112.3R123 Y124 R130R123-S126 WeakPolarHBondContact O-CB 3.23Å; R123-S126 PolarHBondContact O-N 3.38Å; Y124-S126 PolarHBondContact O-N 3.47Å; S126-R130 WeakPolarHBondContact O-CB 3.36Å; S126-R130 WeakPolarHBondContact O-CD 3.26Å; S126-R130 WeakPolarHBondContact O-CG 3.13Å; S126-R130 PolarHBondContact O-N 3.39Å
127T87.9Confident86.4Confident4 Ų464.3 Ų64.33%0.02531%0.305CS..Hα-helixtrans-67.3-46.8176.1-63.50000110.8L71 L118 R119 A122 R123 Y124 D125 D129 R130 L131L71-T127 HydrophobicContact CD1-CG2 3.8Å; L118-T127 HydrophobicContact CB-CG2 4.16Å; L118-T127 PolarHBondContact O-OG1 3.32Å; L118-T127 VanDerWaalsContact O-OG1 3.14Å; R119-T127 HydrophobicContact CG-CG2 4.38Å; A122-T127 WeakPolarHBondContact CB-OG1 3.49Å; A122-T127 PolarHBondContact O-OG1 3.34Å; R123-T127 PolarHBondContact O-N 3.49Å; R123-T127 PolarHBondContact O-OG1 2.87Å; Y124-T127 WeakPolarHBondContact O-CB 3.41Å; Y124-T127 PolarHBondContact O-N 3.31Å; D125-T127 VanDerWaalsContact C-N 3.29Å; D125-T127 PolarHBondContact O-N 2.83Å; T127-D129 VanDerWaalsContact C-N 3.32Å; T127-D129 PolarHBondContact O-N 3.38Å; T127-R130 PolarHBondContact O-N 3.35Å; T127-L131 HydrophobicContact CG2-CD1 3.78Å; T127-L131 HydrophobicContact CG2-CG 4.37Å; T127-L131 WeakPolarHBondContact O-CB 3.36Å; T127-L131 WeakPolarHBondContact O-CG 3.29Å; T127-L131 PolarHBondContact O-N 3.44Å
128I86.7Confident86.1Confident8 Ų859.4 Ų59.44%0.04129%0.287CS..Hα-helixtrans-58.3-45.9174.4-75.5-175.6000110.7Y68 L71 K72 Y124 D125 R130 L131 G132 Y187Y68-I128 HydrophobicContact CE2-CG2 3.9Å; L71-I128 HydrophobicContact CB-CD1 4.14Å; L71-I128 HydrophobicContact CB-CG1 3.92Å; L71-I128 HydrophobicContact CD1-CG1 4.1Å; K72-I128 HydrophobicContact CD-CD1 4.15Å; K72-I128 HydrophobicContact CG-CD1 4.45Å; Y124-I128 HydrophobicContact CD1-CD1 4.04Å; Y124-I128 HydrophobicContact CE1-CD1 3.34Å; Y124-I128 HydrophobicContact CE1-CG1 4.37Å; Y124-I128 HydrophobicContact CE2-CD1 3.98Å; Y124-I128 PolarHBondContact O-N 3.39Å; Y124-I128 WeakPolarHBondContact OH-CD1 3.19Å; D125-I128 PolarHBondContact O-N 2.84Å; I128-R130 PolarHBondContact O-N 3.06Å; I128-L131 PolarHBondContact O-N 3.25Å; I128-G132 PolarHBondContact O-N 3.14Å; I128-Y187 HydrophobicContact CG2-CE2 4.49Å
129D83.1Confident85.8Confident66 Ų6660.1 Ų60.135%0.35329%0.291SS..Hα-helixtrans-63.8-43.5-177.5-79.5-7000112.5D125 T127 T133 Y187D125-D129 WeakPolarHBondContact O-CB 3.48Å; D125-D129 PolarHBondContact O-N 2.99Å; T127-D129 VanDerWaalsContact C-N 3.32Å; T127-D129 PolarHBondContact O-N 3.38Å; D129-T133 WeakPolarHBondContact O-CB 3.29Å; D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 2.98Å; D129-Y187 WeakPolarHBondContact CA-OH 3.48Å; D129-Y187 VanDerWaalsContact CB-OH 3.31Å; D129-Y187 WeakPolarHBondContact CB-OH 3.15Å; D129-Y187 PolarHBondContact OD1-OH 3.22Å
130R85.8Confident85.4Confident123 Ų12358.2 Ų58.246%0.46429%0.289SS..Hα-helixtrans-66.4-44.1177.4-70.9169.5-176.1-172.31.5111.4L118 S126 T127 I128 T133 M134L118-R130 HydrophobicContact CD1-CB 4.26Å; S126-R130 WeakPolarHBondContact O-CB 3.36Å; S126-R130 WeakPolarHBondContact O-CD 3.26Å; S126-R130 WeakPolarHBondContact O-CG 3.13Å; S126-R130 PolarHBondContact O-N 3.39Å; T127-R130 PolarHBondContact O-N 3.35Å; I128-R130 PolarHBondContact O-N 3.06Å; R130-T133 PolarHBondContact O-N 2.9Å; R130-M134 WeakPolarHBondContact O-CG 3.45Å; R130-M134 PolarHBondContact O-N 3.38Å
131L88.8Confident84.9Confident0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-65.9-43.7177.8-69.3172.1000111.7F64 Y68 L71 V115 L118 T127 I128 T133 M134 C135F64-L131 HydrophobicContact CD1-CD2 3.69Å; F64-L131 HydrophobicContact CE1-CD2 3.97Å; Y68-L131 HydrophobicContact CD2-CB 4.18Å; L71-L131 HydrophobicContact CD1-CD1 3.3Å; V115-L131 HydrophobicContact CG2-CD2 3.81Å; L118-L131 HydrophobicContact CD1-CD2 4.21Å; T127-L131 HydrophobicContact CG2-CD1 3.78Å; T127-L131 HydrophobicContact CG2-CG 4.37Å; T127-L131 WeakPolarHBondContact O-CB 3.36Å; T127-L131 WeakPolarHBondContact O-CG 3.29Å; T127-L131 PolarHBondContact O-N 3.44Å; I128-L131 PolarHBondContact O-N 3.25Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 3.48Å; L131-M134 PolarHBondContact O-N 3.05Å; L131-M134 VanDerWaalsContact O-N 3.17Å; L131-C135 PolarHBondContact O-N 2.95Å; L131-C135 PolarHBondContact O-SG 3.47Å
132G85.5Confident84.4Confident0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-56.6-47.4174.700000110.8I128 M134 C135 L136I128-G132 PolarHBondContact O-N 3.14Å; G132-M134 VanDerWaalsContact C-N 3.35Å; G132-M134 PolarHBondContact O-N 3Å; G132-C135 WeakPolarHBondContact O-CB 3.15Å; G132-C135 PolarHBondContact O-N 2.92Å; G132-C135 VanDerWaalsContact O-N 3.14Å; G132-L136 WeakPolarHBondContact O-CG 3.33Å; G132-L136 PolarHBondContact O-N 3.23Å
133T82.1Confident83.8Confident62 Ų6253.9 Ų53.938%0.3826%0.259SS..Hα-helixtrans-57.2-44.7175.4-55.40000112.5D129 R130 L131 C135 L136 I137D129-T133 WeakPolarHBondContact O-CB 3.29Å; D129-T133 PolarHBondContact O-N 3.38Å; D129-T133 PolarHBondContact O-OG1 2.98Å; R130-T133 PolarHBondContact O-N 2.9Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 3.48Å; T133-C135 PolarHBondContact O-N 2.91Å; T133-L136 WeakPolarHBondContact O-CB 3.45Å; T133-L136 PolarHBondContact O-N 2.93Å; T133-I137 HydrophobicContact CG2-CD1 4.07Å; T133-I137 WeakPolarHBondContact O-CG1 3.21Å; T133-I137 PolarHBondContact O-N 3.39Å
134M85.7Confident83.1Confident73 Ų7346 Ų4636%0.3624%0.239SC..Hα-helixtrans-64.6-39.3177-66.1-61.5155.200112.3F64 R130 L131 G132 L136 I137 L138F64-M134 HydrophobicContact CD1-CB 4.21Å; F64-M134 HydrophobicContact CE1-CB 4.32Å; F64-M134 HydrophobicContact CG-CB 4.38Å; R130-M134 WeakPolarHBondContact O-CG 3.45Å; R130-M134 PolarHBondContact O-N 3.38Å; L131-M134 PolarHBondContact O-N 3.05Å; L131-M134 VanDerWaalsContact O-N 3.17Å; G132-M134 VanDerWaalsContact C-N 3.35Å; G132-M134 PolarHBondContact O-N 3Å; M134-L136 VanDerWaalsContact C-N 3.32Å; M134-L136 PolarHBondContact O-N 3.04Å; M134-I137 PolarHBondContact O-N 3.38Å; M134-I137 HydrophobicContact SD-CD1 4.43Å; M134-L138 WeakPolarHBondContact O-CB 3.34Å; M134-L138 WeakPolarHBondContact O-CG 3.37Å; M134-L138 PolarHBondContact O-N 2.93Å
135C87.5Confident82.2Confident0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-59.1-44.6174.2-65.70000111.2F64 W65 L131 G132 T133 N139F64-C135 VanDerWaalsContact C-SG 3.5Å; W65-C135 HydrophobicContact CD2-CB 3.87Å; W65-C135 HydrophobicContact CE3-CB 4.33Å; W65-C135 HydrophobicContact CG-CB 4.32Å; W65-C135 HydrophobicContact CH2-CB 4.27Å; W65-C135 HydrophobicContact CZ2-CB 3.81Å; L131-C135 PolarHBondContact O-N 2.95Å; L131-C135 PolarHBondContact O-SG 3.47Å; G132-C135 WeakPolarHBondContact O-CB 3.15Å; G132-C135 PolarHBondContact O-N 2.92Å; G132-C135 VanDerWaalsContact O-N 3.14Å; T133-C135 PolarHBondContact O-N 2.91Å; C135-N139 VanDerWaalsContact O-CB 3.29Å; C135-N139 WeakPolarHBondContact O-CB 3.47Å; C135-N139 PolarHBondContact O-N 2.91Å
136L83Confident81.3Confident12 Ų1236.7 Ų36.76%0.06320%0.201CC..Hα-helixtrans-59.9-51.2177-62174.4000111.4G132 T133 M134 L138 N139 V140 Y187 F206 P209G132-L136 WeakPolarHBondContact O-CG 3.33Å; G132-L136 PolarHBondContact O-N 3.23Å; T133-L136 WeakPolarHBondContact O-CB 3.45Å; T133-L136 PolarHBondContact O-N 2.93Å; M134-L136 VanDerWaalsContact C-N 3.32Å; M134-L136 PolarHBondContact O-N 3.04Å; L136-L138 PolarHBondContact O-N 3.33Å; L136-N139 PolarHBondContact O-N 3.23Å; L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3.37Å; L136-Y187 HydrophobicContact CD1-CD1 3.9Å; L136-Y187 VanDerWaalsContact CD2-O 3.26Å; L136-Y187 WeakPolarHBondContact CD2-O 3.32Å; L136-Y187 HydrophobicContact CG-CD1 4.37Å; L136-F206 HydrophobicContact CD1-CB 4.43Å; L136-P209 HydrophobicContact CD2-CG 3.87Å
137I83.8Confident80.5Confident68 Ų6837.8 Ų37.835%0.34920%0.202SC..Hα-helixtrans-58.3-49.3-179-67.8166.4000110.6T133 M134 N139 V140 L141T133-I137 HydrophobicContact CG2-CD1 4.07Å; T133-I137 WeakPolarHBondContact O-CG1 3.21Å; T133-I137 PolarHBondContact O-N 3.39Å; M134-I137 PolarHBondContact O-N 3.38Å; M134-I137 HydrophobicContact SD-CD1 4.43Å; I137-N139 VanDerWaalsContact C-N 3.29Å; I137-N139 PolarHBondContact O-N 2.85Å; I137-V140 PolarHBondContact O-N 2.9Å; I137-L141 HydrophobicContact CG2-CD1 4.07Å; I137-L141 HydrophobicContact CG2-CG 4.49Å; I137-L141 WeakPolarHBondContact O-CG 3.45Å; I137-L141 PolarHBondContact O-N 3.31Å
138L83.9Confident79.5Confident24 Ų2439.4 Ų39.413%0.12622%0.216CC..Hα-helixtrans-64.7-35.1-179.3-73.7167.9000112.3C60 F64 M134 L136 L141 N142C60-L138 HydrophobicContact CB-CD1 4.16Å; C60-L138 HydrophobicContact CB-CD2 4.35Å; F64-L138 HydrophobicContact CB-CD1 4.45Å; F64-L138 HydrophobicContact CD2-CD1 3.27Å; F64-L138 HydrophobicContact CE2-CD1 3.79Å; F64-L138 HydrophobicContact CG-CD1 4.19Å; M134-L138 WeakPolarHBondContact O-CB 3.34Å; M134-L138 WeakPolarHBondContact O-CG 3.37Å; M134-L138 PolarHBondContact O-N 2.93Å; L136-L138 PolarHBondContact O-N 3.33Å; L138-L141 HydrophobicContact CD2-CD1 4.36Å; L138-L141 PolarHBondContact O-N 2.89Å; L138-N142 VanDerWaalsContact O-CG 3.28Å; L138-N142 PolarHBondContact O-N 2.85Å; L138-N142 PolarHBondContact O-ND2 3.45Å
139N82.1Confident78.3Confident24 Ų2440.7 Ų40.713%0.12823%0.225CC..Hα-helixtrans-69.5-38.8177.5-15418.9000111.3C135 L136 I137 N142 F143 P209 N210C135-N139 VanDerWaalsContact O-CB 3.29Å; C135-N139 WeakPolarHBondContact O-CB 3.47Å; C135-N139 PolarHBondContact O-N 2.91Å; L136-N139 PolarHBondContact O-N 3.23Å; I137-N139 VanDerWaalsContact C-N 3.29Å; I137-N139 PolarHBondContact O-N 2.85Å; N139-N142 WeakPolarHBondContact O-CB 3.33Å; N139-N142 PolarHBondContact O-N 2.87Å; N139-F143 WeakPolarHBondContact O-CD2 3.46Å; N139-F143 PolarHBondContact O-N 2.93Å; N139-P209 HydrophobicContact CB-CB 3.54Å; N139-P209 HydrophobicContact CB-CG 3.64Å; N139-P209 WeakPolarHBondContact ND2-CB 3.27Å; N139-P209 WeakPolarHBondContact ND2-CG 3.4Å; N139-N210 PolarHBondContact ND2-OD1 3.43Å
140V79.4Confident77.4Confident55 Ų5538 Ų3833%0.33321%0.21SC..Hα-helixtrans-60.7-45.5170.3175.20000111.4L136 I137 N142 F143 A144 P209 I212L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3.37Å; I137-V140 PolarHBondContact O-N 2.9Å; V140-N142 VanDerWaalsContact C-N 3.25Å; V140-N142 PolarHBondContact O-N 3.32Å; V140-F143 WeakPolarHBondContact O-CB 3.26Å; V140-F143 PolarHBondContact O-N 3.4Å; V140-A144 PolarHBondContact O-N 3.46Å; V140-P209 HydrophobicContact CG2-CB 4.18Å; V140-I212 HydrophobicContact CG2-CD1 4.11Å
141L79.7Confident76.5Confident70 Ų7037.2 Ų37.237%0.36622%0.219SC..Hα-helixtrans-60.8-34.4176.8-70.1173.5000112.4I137 L138 F143 A144I137-L141 HydrophobicContact CG2-CD1 4.07Å; I137-L141 HydrophobicContact CG2-CG 4.49Å; I137-L141 WeakPolarHBondContact O-CG 3.45Å; I137-L141 PolarHBondContact O-N 3.31Å; L138-L141 HydrophobicContact CD2-CD1 4.36Å; L138-L141 PolarHBondContact O-N 2.89Å; L141-F143 PolarHBondContact O-N 2.91Å; L141-A144 VanDerWaalsContact O-CB 3.23Å; L141-A144 WeakPolarHBondContact O-CB 3.33Å; L141-A144 PolarHBondContact O-N 3.35Å
142N77.9Confident75.3Confident20 Ų2040.5 Ų40.511%0.10724%0.242CC..Hα-helixtrans-65-24.7176.5-76.6-23.9000113.3K54 T57 S61 L138 N139 V140 P146K54-N142 PolarHBondContact NZ-O 3.47Å; T57-N142 WeakPolarHBondContact CB-OD1 3.42Å; T57-N142 PolarHBondContact OG1-OD1 3.37Å; S61-N142 PolarHBondContact OG-ND2 3.35Å; L138-N142 VanDerWaalsContact O-CG 3.28Å; L138-N142 PolarHBondContact O-N 2.85Å; L138-N142 PolarHBondContact O-ND2 3.45Å; N139-N142 WeakPolarHBondContact O-CB 3.33Å; N139-N142 PolarHBondContact O-N 2.87Å; V140-N142 VanDerWaalsContact C-N 3.25Å; V140-N142 PolarHBondContact O-N 3.32Å; N142-P146 WeakPolarHBondContact O-CD 3.31Å
143F74.1Confident74.1Confident29 Ų2943.2 Ų43.213%0.12725%0.252CS..Hα-helixtrans-80.9-17.2171.6-64.3-58.9000113.8N139 V140 L141 A145 P146 L147 P209 I212 G213 L216N139-F143 WeakPolarHBondContact O-CD2 3.46Å; N139-F143 PolarHBondContact O-N 2.93Å; V140-F143 WeakPolarHBondContact O-CB 3.26Å; V140-F143 PolarHBondContact O-N 3.4Å; L141-F143 PolarHBondContact O-N 2.91Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-A145 PolarHBondContact O-N 2.6Å; F143-P146 WeakPolarHBondContact O-CD 3.34Å; F143-P146 VanDerWaalsContact O-CG 3.27Å; F143-P146 WeakPolarHBondContact O-CG 3.4Å; F143-L147 PolarHBondContact O-N 3.01Å; F143-P209 HydrophobicContact CE2-CB 4.22Å; F143-P209 WeakPolarHBondContact CE2-O 3.42Å; F143-I212 HydrophobicContact CD2-CG2 4.47Å; F143-G213 VanDerWaalsContact CE1-CA 3.49Å; F143-L216 HydrophobicContact CB-CD1 3.56Å; F143-L216 HydrophobicContact CD1-CD1 4.21Å; F143-L216 HydrophobicContact CD2-CD1 4.46Å; F143-L216 HydrophobicContact CG-CD1 3.85Å
144A71.1Confident73.1Confident44 Ų4444.2 Ų44.236%0.36426%0.255SS..Hα-helixtrans-64.4-36.1178.500000112.2V140 L141 L147 A148V140-A144 PolarHBondContact O-N 3.46Å; L141-A144 VanDerWaalsContact O-CB 3.23Å; L141-A144 WeakPolarHBondContact O-CB 3.33Å; L141-A144 PolarHBondContact O-N 3.35Å; A144-L147 PolarHBondContact O-N 2.95Å; A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 3.3Å
145A68.2Low71.7Confident20 Ų2046.7 Ų46.717%0.16528%0.277CS..Hα-helixtrans-60.2-52.3-179.700000113.9K54 F143 L147 A148 V149K54-A145 HydrophobicContact CB-CB 3.99Å; K54-A145 HydrophobicContact CD-CB 3.83Å; K54-A145 HydrophobicContact CG-CB 3.97Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-A145 PolarHBondContact O-N 2.6Å; A145-L147 VanDerWaalsContact C-N 3.33Å; A145-L147 PolarHBondContact O-N 2.98Å; A145-A148 PolarHBondContact O-N 2.92Å; A145-V149 PolarHBondContact O-N 2.89Å
146P64.6Low70.4Confident19 Ų1949.7 Ų49.712%0.12330%0.295CS..Hα-helixtrans-67.3-31.3175.825.5-34.3000113N142 F143 V149 L150N142-P146 WeakPolarHBondContact O-CD 3.31Å; F143-P146 WeakPolarHBondContact O-CD 3.34Å; F143-P146 VanDerWaalsContact O-CG 3.27Å; F143-P146 WeakPolarHBondContact O-CG 3.4Å; P146-V149 PolarHBondContact O-N 2.91Å; P146-L150 PolarHBondContact O-N 3.47Å; P146-L150 VanDerWaalsContact O-N 3.16Å
147L69.1Low69Low72 Ų7249.7 Ų49.738%0.37729%0.294SS..Hα-helixtrans-67-39.5175.7-171.262.8000112F143 A144 A145 V149 L150 V151 L216F143-L147 PolarHBondContact O-N 3.01Å; A144-L147 PolarHBondContact O-N 2.95Å; A145-L147 VanDerWaalsContact C-N 3.33Å; A145-L147 PolarHBondContact O-N 2.98Å; L147-V149 PolarHBondContact O-N 3.43Å; L147-L150 HydrophobicContact CD1-CD2 4.26Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 PolarHBondContact O-N 3.49Å; L147-L150 VanDerWaalsContact O-N 3.13Å; L147-V151 PolarHBondContact O-N 2.87Å; L147-L216 HydrophobicContact CD1-CD2 4.39Å
148A67.1Low67.5Low38 Ų3848.1 Ų48.131%0.31429%0.288SS..Hα-helixtrans-69-14176.200000113.9K50 A144 A145 S152K50-A148 PolarHBondContact NZ-O 3.35Å; A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 3.3Å; A145-A148 PolarHBondContact O-N 2.92Å; A148-S152 PolarHBondContact O-OG 2.71Å
149V62.5Low66.1Low36 Ų3654.2 Ų54.222%0.21832%0.316CS..Hα-helixtrans-85.7-40.1169.6174.60000109.9A145 P146 L147 V151 S152 Y153 L160A145-V149 PolarHBondContact O-N 2.89Å; P146-V149 PolarHBondContact O-N 2.91Å; L147-V149 PolarHBondContact O-N 3.43Å; V149-V151 PolarHBondContact O-N 3.49Å; V149-S152 PolarHBondContact O-N 3.46Å; V149-Y153 HydrophobicContact CG1-CD2 4.17Å; V149-Y153 WeakPolarHBondContact O-CD2 3.4Å; V149-Y153 PolarHBondContact O-N 3.37Å; V149-L160 HydrophobicContact CG1-CB 4.4Å
150L64.7Low64.7Low8 Ų856.8 Ų56.84%0.04233%0.329CS..Hα-helixtrans-58-46.2179.2175.356.7000112.6P146 L147 S152 Y153 L154 F157 F219 L223P146-L150 PolarHBondContact O-N 3.47Å; P146-L150 VanDerWaalsContact O-N 3.16Å; L147-L150 HydrophobicContact CD1-CD2 4.26Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 PolarHBondContact O-N 3.49Å; L147-L150 VanDerWaalsContact O-N 3.13Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.5Å; L150-Y153 PolarHBondContact O-N 2.65Å; L150-L154 WeakPolarHBondContact O-CD1 3.07Å; L150-F157 HydrophobicContact CB-CD2 4.36Å; L150-F157 HydrophobicContact CB-CE2 3.73Å; L150-F157 HydrophobicContact CB-CZ 4.43Å; L150-F157 HydrophobicContact CD1-CD1 4.25Å; L150-F157 HydrophobicContact CD1-CD2 3.46Å; L150-F157 VanDerWaalsContact CD1-CD2 3.46Å; L150-F157 HydrophobicContact CD1-CE1 4.06Å; L150-F157 HydrophobicContact CD1-CE2 3.25Å; L150-F157 HydrophobicContact CD1-CG 3.98Å; L150-F157 HydrophobicContact CD1-CZ 3.57Å; L150-F157 HydrophobicContact CG-CD2 4.5Å; L150-F157 HydrophobicContact CG-CE2 4.02Å; L150-F157 HydrophobicContact CG-CZ 4.42Å; L150-F219 HydrophobicContact CD2-CD1 3.97Å; L150-F219 HydrophobicContact CD2-CE1 3.54Å; L150-L223 HydrophobicContact CD1-CD1 3.29Å; L150-L223 HydrophobicContact CD2-CD1 3.82Å; L150-L223 HydrophobicContact CG-CD1 4.21Å
151V65.6Low63.9Low108 Ų10855.2 Ų55.266%0.65532%0.318SS*.THydrogen-bonded Turntrans-64.3-33.5-179177.20000112.5L147 V149L147-V151 PolarHBondContact O-N 2.87Å; V149-V151 PolarHBondContact O-N 3.49Å
152S63.5Low63.3Low68 Ų6854.3 Ų54.348%0.47632%0.317SS..THydrogen-bonded Turntrans-83.2-15.5-174.9-61.20000114.1A148 V149 L150A148-S152 PolarHBondContact O-OG 2.71Å; V149-S152 PolarHBondContact O-N 3.46Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.5Å
153Y60.9Low62.9Low58 Ų5857.7 Ų57.723%0.22733%0.331CS..  trans-140.731.7-166-63-77.3000114.2V149 L150 V156 F157 L160V149-Y153 HydrophobicContact CG1-CD2 4.17Å; V149-Y153 WeakPolarHBondContact O-CD2 3.4Å; V149-Y153 PolarHBondContact O-N 3.37Å; L150-Y153 PolarHBondContact O-N 2.65Å; Y153-V156 HydrophobicContact CD1-CB 4.45Å; Y153-V156 CarbonylContact O-C 3.59Å; Y153-V156 PolarHBondContact O-N 2.88Å; Y153-F157 WeakPolarHBondContact O-CA 3.48Å; Y153-F157 WeakPolarHBondContact O-CB 3.16Å; Y153-F157 PolarHBondContact O-N 3.16Å; Y153-L160 HydrophobicContact CD1-CD1 3.56Å; Y153-L160 HydrophobicContact CD2-CD1 3.74Å; Y153-L160 HydrophobicContact CE1-CD1 4.14Å; Y153-L160 HydrophobicContact CE2-CD1 4.29Å; Y153-L160 HydrophobicContact CG-CD1 3.35Å
154L61.4Low62.9Low83 Ų8360.1 Ų60.144%0.43535%0.349SS..THydrogen-bonded Turntrans-46.1-36.9178.6-101108.1000114.6L150L150-L154 WeakPolarHBondContact O-CD1 3.07Å
155P55.5Low63Low125 Ų12559.5 Ų59.581%0.81234%0.339SS*.THydrogen-bonded Turntrans-77.9-27174.6-16.831.8000115.6
156V60.1Low63.5Low63 Ų6358.5 Ų58.538%0.38233%0.332SS..THydrogen-bonded Turntrans-106.611.2-176.5-165.90000111.2Y153 T158 E159 L160Y153-V156 HydrophobicContact CD1-CB 4.45Å; Y153-V156 CarbonylContact O-C 3.59Å; Y153-V156 PolarHBondContact O-N 2.88Å; V156-T158 PolarHBondContact O-N 3.14Å; V156-T158 VanDerWaalsContact O-N 3.09Å; V156-E159 HydrophobicContact CG1-CB 4.42Å; V156-E159 PolarHBondContact O-N 3.33Å; V156-L160 HydrophobicContact CB-CD1 4.18Å; V156-L160 HydrophobicContact CG1-CD1 4.05Å
157F54.2Low64.1Low11 Ų1161.5 Ų61.55%0.04835%0.346CS..Hα-helixtrans-61.9-29.5-165.4-174.4-110.2000112.9L150 Y153 E159 L161 Q220 L223 F224L150-F157 HydrophobicContact CB-CD2 4.36Å; L150-F157 HydrophobicContact CB-CE2 3.73Å; L150-F157 HydrophobicContact CB-CZ 4.43Å; L150-F157 HydrophobicContact CD1-CD1 4.25Å; L150-F157 HydrophobicContact CD1-CD2 3.46Å; L150-F157 VanDerWaalsContact CD1-CD2 3.46Å; L150-F157 HydrophobicContact CD1-CE1 4.06Å; L150-F157 HydrophobicContact CD1-CE2 3.25Å; L150-F157 HydrophobicContact CD1-CG 3.98Å; L150-F157 HydrophobicContact CD1-CZ 3.57Å; L150-F157 HydrophobicContact CG-CD2 4.5Å; L150-F157 HydrophobicContact CG-CE2 4.02Å; L150-F157 HydrophobicContact CG-CZ 4.42Å; Y153-F157 WeakPolarHBondContact O-CA 3.48Å; Y153-F157 WeakPolarHBondContact O-CB 3.16Å; Y153-F157 PolarHBondContact O-N 3.16Å; F157-E159 PolarHBondContact O-N 2.84Å; F157-L161 HydrophobicContact CE2-CB 4.44Å; F157-L161 HydrophobicContact CE2-CD2 4.27Å; F157-L161 HydrophobicContact CZ-CB 4.45Å; F157-L161 HydrophobicContact CZ-CD2 3.96Å; F157-L161 PolarHBondContact O-N 3.43Å; F157-Q220 HydrophobicContact CZ-CG 4.32Å; F157-L223 HydrophobicContact CD1-CB 4.35Å; F157-L223 HydrophobicContact CD1-CD1 4.42Å; F157-L223 HydrophobicContact CE1-CB 4.16Å; F157-L223 HydrophobicContact CE1-CD1 4.01Å; F157-L223 HydrophobicContact CZ-CD1 4.37Å; F157-F224 HydrophobicContact CD1-CE2 4.23Å; F157-F224 HydrophobicContact CD1-CZ 4.39Å; F157-F224 HydrophobicContact CE1-CD2 4.45Å; F157-F224 AromaticContact CE1-CE2 3.75Å; F157-F224 HydrophobicContact CE1-CE2 3.75Å; F157-F224 HydrophobicContact CE1-CZ 4.29Å
158T52.2Low64.5Low36 Ų3659.3 Ų59.322%0.22134%0.338CS..Hα-helixtrans-71.8-28.7-175.855.20000113.5V156 F224 T229V156-T158 PolarHBondContact O-N 3.14Å; V156-T158 VanDerWaalsContact O-N 3.09Å; T158-F224 HydrophobicContact CG2-CD1 4.07Å; T158-F224 HydrophobicContact CG2-CE1 3.87Å; T158-T229 WeakPolarHBondContact CB-OG1 3.39Å
159E55.2Low65Low152 Ų15259.4 Ų59.471%0.7133%0.333SS*.Hα-helixtrans-84.9-32178.7-64.7-174.9-178.700112.7V156 F157V156-E159 HydrophobicContact CG1-CB 4.42Å; V156-E159 PolarHBondContact O-N 3.33Å; F157-E159 PolarHBondContact O-N 2.84Å
160L52.4Low66Low77 Ų7759.7 Ų59.740%0.40333%0.333SS..Hα-helixtrans-83.8-27.1-171-78.7155.8000113.8V149 Y153 V156V149-L160 HydrophobicContact CG1-CB 4.4Å; Y153-L160 HydrophobicContact CD1-CD1 3.56Å; Y153-L160 HydrophobicContact CD2-CD1 3.74Å; Y153-L160 HydrophobicContact CE1-CD1 4.14Å; Y153-L160 HydrophobicContact CE2-CD1 4.29Å; Y153-L160 HydrophobicContact CG-CD1 3.35Å; V156-L160 HydrophobicContact CB-CD1 4.18Å; V156-L160 HydrophobicContact CG1-CD1 4.05Å
161L62.1Low66.9Low22 Ų2263.9 Ų63.912%0.11536%0.355CS..SBendtrans-124.693-179.4-153.771000110.5F157 K163 I166 F224F157-L161 HydrophobicContact CE2-CB 4.44Å; F157-L161 HydrophobicContact CE2-CD2 4.27Å; F157-L161 HydrophobicContact CZ-CB 4.45Å; F157-L161 HydrophobicContact CZ-CD2 3.96Å; F157-L161 PolarHBondContact O-N 3.43Å; L161-K163 PolarHBondContact O-N 2.92Å; L161-I166 HydrophobicContact CB-CD1 4.31Å; L161-I166 HydrophobicContact CD2-CD1 3.66Å; L161-I166 HydrophobicContact CD2-CG1 3.66Å; L161-I166 HydrophobicContact CG-CD1 3.94Å; L161-I166 HydrophobicContact CG-CG1 3.92Å; L161-F224 VanDerWaalsContact O-CZ 3.26Å; L161-F224 WeakPolarHBondContact O-CZ 3.31Å
162P67.3Low67.6Low51 Ų5159.5 Ų59.533%0.33133%0.329SS..  trans-63.9126.4-172.724.4-33.3000110.4P164 I165P162-P164 WeakPolarHBondContact O-CD 3.47Å; P162-I165 HydrophobicContact CG-CB 4.47Å; P162-I165 HydrophobicContact CG-CD1 3.48Å; P162-I165 VanDerWaalsContact CG-CD1 3.48Å; P162-I165 HydrophobicContact CG-CG1 3.82Å; P162-I165 WeakPolarHBondContact O-CB 3.39Å; P162-I165 PolarHBondContact O-N 3.14Å
163K69.8Low68.3Low91 Ų9156.5 Ų56.540%0.39631%0.308SS..Hα-helixtrans-37.9-43.4179.5-64.9174.6178.4174.20114.3L161 I165 I166 I167 F224L161-K163 PolarHBondContact O-N 2.92Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 2.89Å; K163-I166 PolarHBondContact O-N 2.81Å; K163-I166 VanDerWaalsContact O-N 3.14Å; K163-I167 WeakPolarHBondContact O-CG1 3.42Å; K163-I167 PolarHBondContact O-N 3.46Å; K163-I167 VanDerWaalsContact O-N 3.1Å; K163-F224 HydrophobicContact CD-CD1 3.92Å; K163-F224 HydrophobicContact CD-CE1 4.18Å; K163-F224 HydrophobicContact CD-CG 4.4Å; K163-F224 HydrophobicContact CG-CD1 3.59Å; K163-F224 HydrophobicContact CG-CD2 4.3Å; K163-F224 HydrophobicContact CG-CE1 3.49Å; K163-F224 VanDerWaalsContact CG-CE1 3.49Å; K163-F224 HydrophobicContact CG-CE2 4.34Å; K163-F224 HydrophobicContact CG-CG 3.96Å; K163-F224 HydrophobicContact CG-CZ 3.92Å
164P74.4Confident69.3Low80 Ų8055.7 Ų55.752%0.51931%0.313SS..Hα-helixtrans-59-34178.6-2635.8000115P162 I166 A168P162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-A168 VanDerWaalsContact O-CB 3.26Å; P164-A168 WeakPolarHBondContact O-CB 3.26Å; P164-A168 PolarHBondContact O-N 3.14Å
165I72.9Confident70.2Confident31 Ų3153.2 Ų53.216%0.15930%0.299CS..Hα-helixtrans-66.6-40.4178-68.1-177.6000110.3F25 R28 P162 K163 A168 N169F25-I165 HydrophobicContact CD1-CG2 4.37Å; F25-I165 HydrophobicContact CE1-CG2 3.69Å; R28-I165 VanDerWaalsContact CZ-CG1 3.42Å; R28-I165 VanDerWaalsContact NH1-CD1 3.28Å; P162-I165 HydrophobicContact CG-CB 4.47Å; P162-I165 HydrophobicContact CG-CD1 3.48Å; P162-I165 VanDerWaalsContact CG-CD1 3.48Å; P162-I165 HydrophobicContact CG-CG1 3.82Å; P162-I165 WeakPolarHBondContact O-CB 3.39Å; P162-I165 PolarHBondContact O-N 3.14Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 2.89Å; I165-A168 PolarHBondContact O-N 3.26Å; I165-N169 WeakPolarHBondContact O-CB 3.39Å; I165-N169 PolarHBondContact O-N 3.28Å
166I77.2Confident71.3Confident0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-71.2-43.7-176.7-56.3163.9000109.9L161 K163 P164 A168 N169 L170 A217 Q220 L221 F224L161-I166 HydrophobicContact CB-CD1 4.31Å; L161-I166 HydrophobicContact CD2-CD1 3.66Å; L161-I166 HydrophobicContact CD2-CG1 3.66Å; L161-I166 HydrophobicContact CG-CD1 3.94Å; L161-I166 HydrophobicContact CG-CG1 3.92Å; K163-I166 PolarHBondContact O-N 2.81Å; K163-I166 VanDerWaalsContact O-N 3.14Å; P164-I166 VanDerWaalsContact C-N 3.35Å; I166-A168 VanDerWaalsContact C-N 3.33Å; I166-A168 PolarHBondContact O-N 3.32Å; I166-N169 WeakPolarHBondContact O-CB 3.25Å; I166-N169 PolarHBondContact O-N 2.87Å; I166-N169 VanDerWaalsContact O-N 3.17Å; I166-L170 PolarHBondContact O-N 2.86Å; I166-A217 HydrophobicContact CG2-CB 4.38Å; I166-A217 WeakPolarHBondContact CG2-O 3.27Å; I166-Q220 HydrophobicContact CD1-CB 4.22Å; I166-Q220 HydrophobicContact CG1-CB 4.5Å; I166-Q220 HydrophobicContact CG2-CB 3.63Å; I166-L221 HydrophobicContact CB-CD2 4.15Å; I166-L221 HydrophobicContact CG2-CD1 4.5Å; I166-L221 HydrophobicContact CG2-CD2 3.79Å; I166-L221 HydrophobicContact CG2-CG 3.66Å; I166-F224 HydrophobicContact CD1-CD2 3.97Å; I166-F224 HydrophobicContact CD1-CE2 3.19Å; I166-F224 HydrophobicContact CD1-CZ 3.95Å
167I79.1Confident72.1Confident82 Ų8249 Ų4942%0.42126%0.261SS..Hα-helixtrans-59.1-47173.9-64172.1000110.2K163 N169 L170 L171 L221K163-I167 WeakPolarHBondContact O-CG1 3.42Å; K163-I167 PolarHBondContact O-N 3.46Å; K163-I167 VanDerWaalsContact O-N 3.1Å; I167-N169 VanDerWaalsContact C-N 3.3Å; I167-N169 PolarHBondContact O-N 3.19Å; I167-L170 WeakPolarHBondContact O-CB 3.38Å; I167-L170 PolarHBondContact O-N 3.42Å; I167-L171 HydrophobicContact CG2-CD1 4.13Å; I167-L171 HydrophobicContact CG2-CG 4.48Å; I167-L171 WeakPolarHBondContact O-CG 3.36Å; I167-L171 PolarHBondContact O-N 2.78Å; I167-L221 HydrophobicContact CG1-CD1 4.49Å; I167-L221 HydrophobicContact CG1-CD2 3.81Å
168A76.6Confident73.3Confident25 Ų2552 Ų5221%0.20728%0.277CS..Hα-helixtrans-61.5-38.8177.200000111.8F25 P164 I165 I166 L171 V172F25-A168 HydrophobicContact CE1-CB 4.46Å; F25-A168 HydrophobicContact CE2-CB 3.66Å; F25-A168 HydrophobicContact CZ-CB 3.37Å; P164-A168 VanDerWaalsContact O-CB 3.26Å; P164-A168 WeakPolarHBondContact O-CB 3.26Å; P164-A168 PolarHBondContact O-N 3.14Å; I165-A168 PolarHBondContact O-N 3.26Å; I166-A168 VanDerWaalsContact C-N 3.33Å; I166-A168 PolarHBondContact O-N 3.32Å; A168-L171 PolarHBondContact O-N 2.9Å; A168-V172 WeakPolarHBondContact O-CB 3.44Å; A168-V172 WeakPolarHBondContact O-CG2 3.26Å; A168-V172 PolarHBondContact O-N 3.07Å
169N78.3Confident74.5Confident41 Ų4150.7 Ų50.722%0.21927%0.268CS..Hα-helixtrans-66.2-39.9176.6-87.3-21.9000111.8F25 I165 I166 I167 S173 A217F25-N169 WeakPolarHBondContact CE1-OD1 3.41Å; F25-N169 HydrophobicContact CZ-CB 4.36Å; F25-N169 WeakPolarHBondContact CZ-OD1 3.45Å; I165-N169 WeakPolarHBondContact O-CB 3.39Å; I165-N169 PolarHBondContact O-N 3.28Å; I166-N169 WeakPolarHBondContact O-CB 3.25Å; I166-N169 PolarHBondContact O-N 2.87Å; I166-N169 VanDerWaalsContact O-N 3.17Å; I167-N169 VanDerWaalsContact C-N 3.3Å; I167-N169 PolarHBondContact O-N 3.19Å; N169-S173 VanDerWaalsContact O-CB 3.25Å; N169-S173 WeakPolarHBondContact O-CB 3.39Å; N169-S173 PolarHBondContact O-N 3.47Å; N169-S173 PolarHBondContact O-OG 3.29Å; N169-A217 HydrophobicContact CB-CB 4.49Å
170L82.8Confident75.5Confident42 Ų4243.5 Ų43.522%0.2223%0.234CC..Hα-helixtrans-60.2-49.3174.7179.565.3000110.3I166 I167 S173 A174 V214 A217 L221I166-L170 PolarHBondContact O-N 2.86Å; I167-L170 WeakPolarHBondContact O-CB 3.38Å; I167-L170 PolarHBondContact O-N 3.42Å; L170-S173 PolarHBondContact O-N 3.37Å; L170-A174 VanDerWaalsContact O-CB 3.27Å; L170-A174 WeakPolarHBondContact O-CB 3.46Å; L170-A174 PolarHBondContact O-N 2.97Å; L170-V214 HydrophobicContact CD1-CB 4.4Å; L170-V214 HydrophobicContact CD1-CG1 3.93Å; L170-A217 HydrophobicContact CB-CB 3.78Å; L170-A217 HydrophobicContact CD1-CB 4.08Å; L170-L221 HydrophobicContact CD2-CD1 3.64Å
171L83.1Confident76.5Confident95 Ų9544.2 Ų44.250%0.49724%0.235SC..Hα-helixtrans-61.5-48.5179.7-68.5174.1000111.6I167 A168 S173 A174 Q175I167-L171 HydrophobicContact CG2-CD1 4.13Å; I167-L171 HydrophobicContact CG2-CG 4.48Å; I167-L171 WeakPolarHBondContact O-CG 3.36Å; I167-L171 PolarHBondContact O-N 2.78Å; A168-L171 PolarHBondContact O-N 2.9Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-S173 PolarHBondContact O-N 3.4Å; L171-A174 PolarHBondContact O-N 2.89Å; L171-Q175 WeakPolarHBondContact O-CB 3.37Å; L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 3.26Å
172V80Confident77.3Confident17 Ų1745.6 Ų45.610%0.10324%0.242CC..Hα-helixtrans-58.3-47.6176.8169.70000110.7S21 F25 A168 A174 Q175 W176S21-V172 WeakPolarHBondContact OG-CG2 3.32Å; F25-V172 HydrophobicContact CE2-CG2 4.07Å; A168-V172 WeakPolarHBondContact O-CB 3.44Å; A168-V172 WeakPolarHBondContact O-CG2 3.26Å; A168-V172 PolarHBondContact O-N 3.07Å; V172-A174 PolarHBondContact O-N 3.44Å; V172-Q175 PolarHBondContact O-N 3.47Å; V172-W176 PolarHBondContact O-N 2.94Å
173S79.8Confident77.7Confident5 Ų546 Ų464%0.03524%0.244CC..Hα-helixtrans-65.5-41.5-178.4-55.20000111.5N169 L170 L171 W176 Y177 N210N169-S173 VanDerWaalsContact O-CB 3.25Å; N169-S173 WeakPolarHBondContact O-CB 3.39Å; N169-S173 PolarHBondContact O-N 3.47Å; N169-S173 PolarHBondContact O-OG 3.29Å; L170-S173 PolarHBondContact O-N 3.37Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-S173 PolarHBondContact O-N 3.4Å; S173-W176 PolarHBondContact O-N 3.32Å; S173-Y177 VanDerWaalsContact O-CB 3.26Å; S173-Y177 WeakPolarHBondContact O-CB 3.35Å; S173-Y177 PolarHBondContact O-N 3.14Å; S173-N210 WeakPolarHBondContact CB-O 3.45Å
174A81.2Confident77.8Confident41 Ų4143.7 Ų43.734%0.33925%0.246SC..Hα-helixtrans-65.7-39.1176.600000112L170 L171 V172 Y177 L178 V214L170-A174 VanDerWaalsContact O-CB 3.27Å; L170-A174 WeakPolarHBondContact O-CB 3.46Å; L170-A174 PolarHBondContact O-N 2.97Å; L171-A174 PolarHBondContact O-N 2.89Å; V172-A174 PolarHBondContact O-N 3.44Å; A174-Y177 WeakPolarHBondContact O-CB 3.4Å; A174-Y177 PolarHBondContact O-N 3.19Å; A174-L178 WeakPolarHBondContact O-CB 3.16Å; A174-L178 PolarHBondContact O-N 3.2Å; A174-V214 HydrophobicContact CB-CG2 4.13Å
175Q80.8Confident77.6Confident30 Ų3040.2 Ų40.214%0.1422%0.223CC..Hα-helixtrans-63.2-47.9175.8-76.5170.7-27.900111.8L14 S21 L171 V172 Y177 L178 Y179L14-Q175 HydrophobicContact CD2-CB 4.46Å; L14-Q175 HydrophobicContact CD2-CG 4.14Å; S21-Q175 PolarHBondContact OG-OE1 3.49Å; L171-Q175 WeakPolarHBondContact O-CB 3.37Å; L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 3.26Å; V172-Q175 PolarHBondContact O-N 3.47Å; Q175-Y177 VanDerWaalsContact C-N 3.31Å; Q175-Y177 PolarHBondContact O-N 3.14Å; Q175-L178 PolarHBondContact O-N 2.86Å; Q175-Y179 VanDerWaalsContact O-CB 3.26Å; Q175-Y179 WeakPolarHBondContact O-CB 3.37Å; Q175-Y179 PolarHBondContact O-N 3.39Å
176W77.2Confident77.2Confident30 Ų3042.8 Ų42.811%0.11424%0.242CC..Hα-helixtrans-68.4-32178.3-77.3116.7000113.1I76 V77 I80 V172 S173 Y179 G180 M188 N210I76-W176 HydrophobicContact CG2-CH2 4.39Å; V77-W176 HydrophobicContact CG2-CH2 4.36Å; V77-W176 HydrophobicContact CG2-CZ3 4.07Å; I80-W176 HydrophobicContact CB-CZ2 4.33Å; I80-W176 HydrophobicContact CD1-CH2 3.63Å; I80-W176 HydrophobicContact CD1-CZ2 3.52Å; I80-W176 HydrophobicContact CG2-CZ2 4.05Å; V172-W176 PolarHBondContact O-N 2.94Å; S173-W176 PolarHBondContact O-N 3.32Å; W176-Y179 AromaticContact CE3-CD1 3.93Å; W176-Y179 HydrophobicContact CE3-CD1 3.93Å; W176-Y179 HydrophobicContact CE3-CG 4.16Å; W176-Y179 AromaticContact CZ3-CD1 3.9Å; W176-Y179 HydrophobicContact CZ3-CD1 3.9Å; W176-Y179 HydrophobicContact CZ3-CE1 4.17Å; W176-Y179 HydrophobicContact CZ3-CG 4.28Å; W176-G180 PolarHBondContact O-N 3.43Å; W176-M188 HydrophobicContact CE3-CE 3.42Å; W176-M188 VanDerWaalsContact CE3-CE 3.42Å; W176-M188 HydrophobicContact CZ3-CE 3.58Å; W176-N210 HydrophobicContact CB-CB 4.13Å; W176-N210 VanDerWaalsContact CB-CG 3.48Å; W176-N210 WeakPolarHBondContact CB-ND2 3.46Å
177Y77.8Confident76.7Confident71 Ų7143.9 Ų43.928%0.27825%0.246SC..Hα-helixtrans-61.8-50.2170.5173.5-108.6000111.4S173 A174 Q175 G180 H181 V190 I208 F211S173-Y177 VanDerWaalsContact O-CB 3.26Å; S173-Y177 WeakPolarHBondContact O-CB 3.35Å; S173-Y177 PolarHBondContact O-N 3.14Å; A174-Y177 WeakPolarHBondContact O-CB 3.4Å; A174-Y177 PolarHBondContact O-N 3.19Å; Q175-Y177 VanDerWaalsContact C-N 3.31Å; Q175-Y177 PolarHBondContact O-N 3.14Å; Y177-G180 PolarHBondContact O-N 3.02Å; Y177-H181 PolarHBondContact O-N 3.45Å; Y177-V190 HydrophobicContact CE2-CB 3.83Å; Y177-V190 HydrophobicContact CE2-CG2 3.67Å; Y177-I208 HydrophobicContact CD2-CD1 3.71Å; Y177-I208 HydrophobicContact CE2-CD1 3.74Å; Y177-F211 HydrophobicContact CD2-CB 4.38Å
178L79.3Confident75.9Confident73 Ų7340.1 Ų40.138%0.38223%0.226SC..Hα-helixtrans-64.4-41.6177.9-176.760.4000111.5L14 A174 Q175 G180 H181 L182L14-L178 HydrophobicContact CD1-CD2 4.09Å; L14-L178 HydrophobicContact CD1-CG 4.15Å; L14-L178 HydrophobicContact CD2-CD2 4.22Å; A174-L178 WeakPolarHBondContact O-CB 3.16Å; A174-L178 PolarHBondContact O-N 3.2Å; Q175-L178 PolarHBondContact O-N 2.86Å; L178-G180 PolarHBondContact O-N 2.8Å; L178-H181 WeakPolarHBondContact O-CB 3.24Å; L178-H181 PolarHBondContact O-N 3.45Å; L178-L182 HydrophobicContact CD1-CD1 4.46Å; L178-L182 HydrophobicContact CD1-CG 4.43Å; L178-L182 HydrophobicContact CG-CD1 4.1Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.17Å
179Y78.4Confident75Confident9 Ų941.5 Ų41.54%0.03523%0.228CC..Hα-helixtrans-56.2-51175.2-177.8-91.5000111.6L11 D74 I76 V77 Q175 W176 H181 L182 V183 M188L11-Y179 HydrophobicContact CB-CE2 4.39Å; L11-Y179 HydrophobicContact CD2-CD2 3.49Å; L11-Y179 VanDerWaalsContact CD2-CD2 3.49Å; L11-Y179 HydrophobicContact CD2-CE2 3.46Å; L11-Y179 VanDerWaalsContact CD2-CE2 3.46Å; L11-Y179 HydrophobicContact CD2-CG 4.35Å; L11-Y179 HydrophobicContact CG-CE2 4.47Å; D74-Y179 PolarHBondContact OD1-OH 3.02Å; D74-Y179 WeakPolarHBondContact OD2-CE1 3.13Å; D74-Y179 PolarHBondContact OD2-OH 3.35Å; I76-Y179 HydrophobicContact CB-CE2 4.18Å; I76-Y179 HydrophobicContact CD1-CE2 3.63Å; I76-Y179 HydrophobicContact CG1-CE2 4.5Å; I76-Y179 HydrophobicContact CG2-CE2 3.8Å; V77-Y179 HydrophobicContact CG2-CE1 4.15Å; Q175-Y179 VanDerWaalsContact O-CB 3.26Å; Q175-Y179 WeakPolarHBondContact O-CB 3.37Å; Q175-Y179 PolarHBondContact O-N 3.39Å; W176-Y179 AromaticContact CE3-CD1 3.93Å; W176-Y179 HydrophobicContact CE3-CD1 3.93Å; W176-Y179 HydrophobicContact CE3-CG 4.16Å; W176-Y179 AromaticContact CZ3-CD1 3.9Å; W176-Y179 HydrophobicContact CZ3-CD1 3.9Å; W176-Y179 HydrophobicContact CZ3-CE1 4.17Å; W176-Y179 HydrophobicContact CZ3-CG 4.28Å; Y179-H181 VanDerWaalsContact C-N 3.28Å; Y179-H181 PolarHBondContact O-N 3.37Å; Y179-L182 PolarHBondContact O-N 2.93Å; Y179-L182 VanDerWaalsContact O-N 3.15Å; Y179-V183 HydrophobicContact CD1-CG2 4.14Å; Y179-V183 HydrophobicContact CD2-CG2 4.47Å; Y179-V183 HydrophobicContact CE1-CB 4.47Å; Y179-V183 HydrophobicContact CE1-CG2 3.67Å; Y179-V183 HydrophobicContact CE2-CG2 4.02Å; Y179-V183 WeakPolarHBondContact O-CG2 3.42Å; Y179-V183 PolarHBondContact O-N 3.47Å; Y179-M188 HydrophobicContact CD1-CE 3.65Å; Y179-M188 HydrophobicContact CD1-SD 4.08Å; Y179-M188 HydrophobicContact CE1-CE 3.98Å; Y179-M188 HydrophobicContact CE1-SD 4.08Å
180G74.3Confident73.7Confident0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-61.2-38.1178.200000113W176 Y177 L178 G184 D185 M188W176-G180 PolarHBondContact O-N 3.43Å; Y177-G180 PolarHBondContact O-N 3.02Å; L178-G180 PolarHBondContact O-N 2.8Å; G180-G184 PolarHBondContact O-N 2.74Å; G180-G184 VanDerWaalsContact O-N 3.08Å; G180-D185 PolarHBondContact O-N 2.97Å; G180-M188 WeakPolarHBondContact CA-O 3.34Å
181H75.1Confident71.8Confident93 Ų9342 Ų4243%0.43123%0.231SC..Hα-helixtrans-61.1-45.4173.7-172.588.2000112.4Y177 L178 Y179 G184Y177-H181 PolarHBondContact O-N 3.45Å; L178-H181 WeakPolarHBondContact O-CB 3.24Å; L178-H181 PolarHBondContact O-N 3.45Å; Y179-H181 VanDerWaalsContact C-N 3.28Å; Y179-H181 PolarHBondContact O-N 3.37Å; H181-G184 PolarHBondContact O-N 3.44Å
182L77.9Confident69.9Low50 Ų5046.5 Ų46.526%0.26225%0.247SC..Hα-helixtrans-70-40.4-178.4-69.6170.1000113.1L10 L11 L14 L178 Y179 G184L10-L182 HydrophobicContact CD2-CD1 3.53Å; L10-L182 HydrophobicContact CD2-CD2 4.19Å; L10-L182 HydrophobicContact CG-CD1 3.95Å; L11-L182 HydrophobicContact CD2-CB 3.89Å; L11-L182 HydrophobicContact CD2-CD1 4.2Å; L14-L182 HydrophobicContact CD1-CD1 3.65Å; L178-L182 HydrophobicContact CD1-CD1 4.46Å; L178-L182 HydrophobicContact CD1-CG 4.43Å; L178-L182 HydrophobicContact CG-CD1 4.1Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.17Å; Y179-L182 PolarHBondContact O-N 2.93Å; Y179-L182 VanDerWaalsContact O-N 3.15Å; L182-G184 VanDerWaalsContact C-N 3.26Å; L182-G184 PolarHBondContact O-N 3.39Å
183V75.4Confident68.2Low59 Ų5953.1 Ų53.136%0.35827%0.271SS..Hα-helixtrans-75.6-18.1178.31780000111.8L11 Y179 D185L11-V183 HydrophobicContact CD1-CG2 4.2Å; L11-V183 HydrophobicContact CD2-CG2 3.63Å; Y179-V183 HydrophobicContact CD1-CG2 4.14Å; Y179-V183 HydrophobicContact CD2-CG2 4.47Å; Y179-V183 HydrophobicContact CE1-CB 4.47Å; Y179-V183 HydrophobicContact CE1-CG2 3.67Å; Y179-V183 HydrophobicContact CE2-CG2 4.02Å; Y179-V183 WeakPolarHBondContact O-CG2 3.42Å; Y179-V183 PolarHBondContact O-N 3.47Å; V183-D185 VanDerWaalsContact C-N 3.26Å; V183-D185 HydrophobicContact CG1-CB 4.34Å; V183-D185 PolarHBondContact O-N 3.04Å
184G71.5Confident66.2Low43 Ų4358.9 Ų58.944%0.44331%0.311SS..THydrogen-bonded Turntrans70.622.3-177.200000113.2G180 H181 L182 P186G180-G184 PolarHBondContact O-N 2.74Å; G180-G184 VanDerWaalsContact O-N 3.08Å; H181-G184 PolarHBondContact O-N 3.44Å; L182-G184 VanDerWaalsContact C-N 3.26Å; L182-G184 PolarHBondContact O-N 3.39Å; G184-P186 WeakPolarHBondContact O-CD 3.27Å
185D70.4Confident64.5Low7 Ų763.1 Ų63.14%0.03733%0.327CS..  trans-79.6118.5-180-166.7-47.5000110.3Y68 K72 G180 V183 Y187 M188 K189Y68-D185 VanDerWaalsContact OH-CG 3.31Å; Y68-D185 PolarHBondContact OH-OD1 3.35Å; Y68-D185 PolarHBondContact OH-OD2 2.97Å; K72-D185 WeakPolarHBondContact CE-OD2 3.5Å; K72-D185 IonicContact NZ-OD2 3.85Å; G180-D185 PolarHBondContact O-N 2.97Å; V183-D185 VanDerWaalsContact C-N 3.26Å; V183-D185 HydrophobicContact CG1-CB 4.34Å; V183-D185 PolarHBondContact O-N 3.04Å; D185-Y187 PolarHBondContact O-N 3.26Å; D185-Y187 VanDerWaalsContact O-N 3.13Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.26Å; D185-Y187 PolarHBondContact OD1-N 3.45Å; D185-M188 HydrophobicContact CB-CB 4.16Å; D185-M188 HydrophobicContact CB-CG 4.12Å; D185-M188 HydrophobicContact CB-SD 4.3Å; D185-M188 CarbonylContact O-C 3.58Å; D185-M188 PolarHBondContact O-N 2.87Å; D185-K189 WeakPolarHBondContact O-CB 3.45Å; D185-K189 PolarHBondContact O-N 3.43Å
186P65.3Low62.7Low85 Ų8569.9 Ų69.955%0.55236%0.364SS*.THydrogen-bonded Turntrans-63.2-19.8-17826.4-34.9000113.9G184 M188G184-P186 WeakPolarHBondContact O-CD 3.27Å; P186-M188 VanDerWaalsContact C-N 3.3Å
187Y66.6Low61.1Low24 Ų2476.2 Ų76.29%0.09440%0.399CS..THydrogen-bonded Turntrans-85.2-7.1175.2-62.3-82.7000112.5Y68 I128 D129 L136 D185Y68-Y187 HydrophobicContact CE2-CD2 4.16Å; Y68-Y187 HydrophobicContact CE2-CG 4.37Å; Y68-Y187 AromaticContact CZ-CD2 3.97Å; Y68-Y187 WeakPolarHBondContact OH-CD2 3.39Å; I128-Y187 HydrophobicContact CG2-CE2 4.49Å; D129-Y187 WeakPolarHBondContact CA-OH 3.48Å; D129-Y187 VanDerWaalsContact CB-OH 3.31Å; D129-Y187 WeakPolarHBondContact CB-OH 3.15Å; D129-Y187 PolarHBondContact OD1-OH 3.22Å; L136-Y187 HydrophobicContact CD1-CD1 3.9Å; L136-Y187 VanDerWaalsContact CD2-O 3.26Å; L136-Y187 WeakPolarHBondContact CD2-O 3.32Å; L136-Y187 HydrophobicContact CG-CD1 4.37Å; D185-Y187 PolarHBondContact O-N 3.26Å; D185-Y187 VanDerWaalsContact O-N 3.13Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.26Å; D185-Y187 PolarHBondContact OD1-N 3.45Å
188M62.9Low59.6Low2 Ų281.8 Ų81.81%0.0143%0.425CS..THydrogen-bonded Turntrans-123.8-11.7178.7-51.3-178.884.500113.2W65 V77 W176 Y179 G180 D185 P186 I208W65-M188 HydrophobicContact CH2-CE 4.34Å; W65-M188 HydrophobicContact CH2-CG 4.07Å; W65-M188 HydrophobicContact CZ3-CE 4.07Å; W65-M188 HydrophobicContact CZ3-CG 4.11Å; W65-M188 HydrophobicContact CZ3-SD 4.19Å; V77-M188 HydrophobicContact CG2-CE 4.16Å; V77-M188 HydrophobicContact CG2-SD 4.39Å; W176-M188 HydrophobicContact CE3-CE 3.42Å; W176-M188 VanDerWaalsContact CE3-CE 3.42Å; W176-M188 HydrophobicContact CZ3-CE 3.58Å; Y179-M188 HydrophobicContact CD1-CE 3.65Å; Y179-M188 HydrophobicContact CD1-SD 4.08Å; Y179-M188 HydrophobicContact CE1-CE 3.98Å; Y179-M188 HydrophobicContact CE1-SD 4.08Å; G180-M188 WeakPolarHBondContact CA-O 3.34Å; D185-M188 HydrophobicContact CB-CB 4.16Å; D185-M188 HydrophobicContact CB-CG 4.12Å; D185-M188 HydrophobicContact CB-SD 4.3Å; D185-M188 CarbonylContact O-C 3.58Å; D185-M188 PolarHBondContact O-N 2.87Å; P186-M188 VanDerWaalsContact C-N 3.3Å; M188-I208 VanDerWaalsContact C-CG1 3.49Å; M188-I208 VanDerWaalsContact O-CD1 3.23Å; M188-I208 WeakPolarHBondContact O-CD1 3.48Å; M188-I208 WeakPolarHBondContact O-CG1 3.16Å
189K56.6Low58.2Low54 Ų5484.1 Ų84.124%0.23544%0.444CS..SBendtrans-107.8145.4-174.6-178.9172.8177.9-177.80114.8D185 L191 I208D185-K189 WeakPolarHBondContact O-CB 3.45Å; D185-K189 PolarHBondContact O-N 3.43Å; K189-L191 HydrophobicContact CD-CD1 4.39Å; K189-I208 VanDerWaalsContact CA-CD1 3.43Å; K189-I208 WeakPolarHBondContact O-CD1 3.15Å; K189-I208 WeakPolarHBondContact O-CG1 3.45Å
190V50.3Low56.9Low26 Ų2687.2 Ų87.216%0.15846%0.464CS..  trans-87.5125.7174.4149.30000104.3Y177 F192 I208 F211Y177-V190 HydrophobicContact CE2-CB 3.83Å; Y177-V190 HydrophobicContact CE2-CG2 3.67Å; V190-F192 HydrophobicContact CG1-CD2 3.6Å; V190-F192 HydrophobicContact CG1-CE2 4.05Å; V190-I208 HydrophobicContact CB-CD1 3.81Å; V190-I208 HydrophobicContact CG2-CD1 3.48Å; V190-I208 VanDerWaalsContact CG2-CD1 3.48Å; V190-I208 HydrophobicContact CG2-CG1 4.4Å; V190-F211 HydrophobicContact CG2-CB 4.36Å; V190-F211 HydrophobicContact CG2-CG 4.4Å
191L42.8Very low55.7Low68 Ų6890.1 Ų90.136%0.35649%0.488SS..  trans-122.287171.9-146.989.2000109K189 Y193 Q207K189-L191 HydrophobicContact CD-CD1 4.39Å; L191-Y193 HydrophobicContact CD1-CD2 3.95Å; L191-Y193 HydrophobicContact CD1-CE2 3.8Å; L191-Y193 HydrophobicContact CD2-CD2 3.45Å; L191-Y193 VanDerWaalsContact CD2-CD2 3.45Å; L191-Y193 HydrophobicContact CD2-CE2 3.99Å; L191-Y193 HydrophobicContact CD2-CG 3.88Å; L191-Y193 HydrophobicContact CG-CD2 3.36Å; L191-Y193 HydrophobicContact CG-CE2 3.77Å; L191-Y193 HydrophobicContact CG-CG 4.25Å; L191-Y193 PolarHBondContact O-N 3.25Å; L191-Q207 VanDerWaalsContact CA-OE1 3.24Å; L191-Q207 PolarHBondContact O-OE1 2.93Å
192F44.5Very low54.3Low189 Ų18991.9 Ų91.983%0.82950%0.5SS*.  trans-66.885.5153.6-82.2-84.8000107.7V190V190-F192 HydrophobicContact CG1-CD2 3.6Å; V190-F192 HydrophobicContact CG1-CE2 4.05Å
193Y43.6Very low52.8Low156 Ų15695.7 Ų95.761%0.61252%0.515SS*.  trans-114.8107.7155.2-84-115.2000106.5L191 D195L191-Y193 HydrophobicContact CD1-CD2 3.95Å; L191-Y193 HydrophobicContact CD1-CE2 3.8Å; L191-Y193 HydrophobicContact CD2-CD2 3.45Å; L191-Y193 VanDerWaalsContact CD2-CD2 3.45Å; L191-Y193 HydrophobicContact CD2-CE2 3.99Å; L191-Y193 HydrophobicContact CD2-CG 3.88Å; L191-Y193 HydrophobicContact CG-CD2 3.36Å; L191-Y193 HydrophobicContact CG-CE2 3.77Å; L191-Y193 HydrophobicContact CG-CG 4.25Å; L191-Y193 PolarHBondContact O-N 3.25Å; Y193-D195 PolarHBondContact O-N 3.45Å
194C37.4Very low51.4Low127 Ų12797 Ų9786%0.85852%0.523SS*.  trans-63.486.3154.1-71.90000107.6
195D46.8Very low50.3Low129 Ų129101.8 Ų101.869%0.6954%0.537SS*.  trans-96.896.5159.6-71-33.4000107.2Y193 L197Y193-D195 PolarHBondContact O-N 3.45Å; D195-L197 PolarHBondContact O-N 2.85Å
196L43.1Very low49.1Very low173 Ų173106 Ų10691%0.90656%0.555SS**SBendtrans-28.4128.1153.6-124.368.5000109.4
197L42.7Very low48.5Very low163 Ų163104.4 Ų104.485%0.85354%0.541SS*.SBendtrans9790.6173.3-135.474.9000116.1D195D195-L197 PolarHBondContact O-N 2.85Å
198F46.5Very low48.4Very low188 Ų188103.3 Ų103.383%0.82554%0.537SS*.  trans-38132.5172.5-76.2-102.3000114.9A201F198-A201 HydrophobicContact CD1-CB 4.47Å; F198-A201 HydrophobicContact CE1-CB 4.22Å
199P49.1Very low48.7Very low121 Ų121103.3 Ų103.379%0.78654%0.537SS*.SBend-145.520.99835.9-18.2000116.3
200T52.5Low49.5Very low75 Ų75101.2 Ų101.246%0.4653%0.528SS..  trans-130.533.3-17256.40000115.9L202 K203 V204T200-L202 PolarHBondContact O-N 3.4Å; T200-K203 HydrophobicContact CG2-CD 4.35Å; T200-K203 PolarHBondContact O-N 2.94Å; T200-V204 PolarHBondContact O-N 2.93Å
201A47.7Very low50.8Low61 Ų61104.2 Ų104.250%0.50454%0.539SS..Hα-helixtrans-53.9-28.9178.700000114.1F198 V204 L205F198-A201 HydrophobicContact CD1-CB 4.47Å; F198-A201 HydrophobicContact CE1-CB 4.22Å; A201-V204 PolarHBondContact O-N 3.15Å; A201-L205 PolarHBondContact O-N 3.39Å
202L47.2Very low52.5Low129 Ų129104.2 Ų104.268%0.67554%0.539SS*.Hα-helixtrans-69.6-34174.3-162.166.1000112.4T200 V204 L205 F206T200-L202 PolarHBondContact O-N 3.4Å; L202-V204 VanDerWaalsContact C-N 3.33Å; L202-V204 PolarHBondContact O-N 3.36Å; L202-L205 PolarHBondContact O-N 2.98Å; L202-F206 HydrophobicContact CD1-CD2 4.37Å; L202-F206 HydrophobicContact CD1-CE2 3.9Å; L202-F206 HydrophobicContact CG-CD2 4.24Å; L202-F206 HydrophobicContact CG-CE2 4.12Å; L202-F206 VanDerWaalsContact O-CD2 3.24Å; L202-F206 WeakPolarHBondContact O-CD2 3.47Å
203K45.5Very low54Low130 Ų13095.3 Ų95.357%0.56550%0.5SS*.Hα-helixtrans-69.4-29.9176.6-79.1-173.6172.2-174.70112.4T200 F206 Q207T200-K203 HydrophobicContact CG2-CD 4.35Å; T200-K203 PolarHBondContact O-N 2.94Å; K203-F206 PolarHBondContact O-N 3.48Å; K203-Q207 WeakPolarHBondContact O-CG 3.37Å
204V46.7Very low55.8Low87 Ų8789.3 Ų89.353%0.52748%0.479SS..Hα-helixtrans-72.1-36178-179.90000111.3T200 A201 L202 F206 Q207T200-V204 PolarHBondContact O-N 2.93Å; A201-V204 PolarHBondContact O-N 3.15Å; L202-V204 VanDerWaalsContact C-N 3.33Å; L202-V204 PolarHBondContact O-N 3.36Å; V204-F206 PolarHBondContact O-N 2.79Å; V204-Q207 PolarHBondContact O-N 3.3Å
205L47Very low58Low143 Ų14386.1 Ų86.175%0.74946%0.458SS*.Hα-helixtrans-70-18.9177.9-138.585.2000113.4A201 L202A201-L205 PolarHBondContact O-N 3.39Å; L202-L205 PolarHBondContact O-N 2.98Å
206F47Very low59.6Low95 Ų9581.8 Ų81.842%0.41743%0.434SS..THydrogen-bonded Turntrans-104.216.9-177.9-78.6-71.7000114.1L136 L202 K203 V204 I208L136-F206 HydrophobicContact CD1-CB 4.43Å; L202-F206 HydrophobicContact CD1-CD2 4.37Å; L202-F206 HydrophobicContact CD1-CE2 3.9Å; L202-F206 HydrophobicContact CG-CD2 4.24Å; L202-F206 HydrophobicContact CG-CE2 4.12Å; L202-F206 VanDerWaalsContact O-CD2 3.24Å; L202-F206 WeakPolarHBondContact O-CD2 3.47Å; K203-F206 PolarHBondContact O-N 3.48Å; V204-F206 PolarHBondContact O-N 2.79Å; F206-I208 PolarHBondContact O-N 3.05Å
207Q51.4Low61.4Low53 Ų5373.6 Ų73.625%0.24839%0.392CS..SBendtrans-77.991.4175.9-66.5-175.38.200112.1L191 K203 V204L191-Q207 VanDerWaalsContact CA-OE1 3.24Å; L191-Q207 PolarHBondContact O-OE1 2.93Å; K203-Q207 WeakPolarHBondContact O-CG 3.37Å; V204-Q207 PolarHBondContact O-N 3.3Å
208I65.3Low63.4Low1 Ų168.3 Ų68.31%0.00537%0.369CS..  trans82107.3160.4-41.3161.9000118.3Y177 M188 K189 V190 F206 N210 F211 I212Y177-I208 HydrophobicContact CD2-CD1 3.71Å; Y177-I208 HydrophobicContact CE2-CD1 3.74Å; M188-I208 VanDerWaalsContact C-CG1 3.49Å; M188-I208 VanDerWaalsContact O-CD1 3.23Å; M188-I208 WeakPolarHBondContact O-CD1 3.48Å; M188-I208 WeakPolarHBondContact O-CG1 3.16Å; K189-I208 VanDerWaalsContact CA-CD1 3.43Å; K189-I208 WeakPolarHBondContact O-CD1 3.15Å; K189-I208 WeakPolarHBondContact O-CG1 3.45Å; V190-I208 HydrophobicContact CB-CD1 3.81Å; V190-I208 HydrophobicContact CG2-CD1 3.48Å; V190-I208 VanDerWaalsContact CG2-CD1 3.48Å; V190-I208 HydrophobicContact CG2-CG1 4.4Å; F206-I208 PolarHBondContact O-N 3.05Å; I208-N210 HydrophobicContact CG2-CB 3.61Å; I208-N210 VanDerWaalsContact CG2-N 3.32Å; I208-N210 PolarHBondContact O-N 3.13Å; I208-F211 HydrophobicContact CB-CB 4.38Å; I208-F211 PolarHBondContact O-N 3.1Å; I208-F211 VanDerWaalsContact O-N 3.1Å; I208-I212 PolarHBondContact O-N 3.43Å
209P68.3Low65.1Low2 Ų264.4 Ų64.41%0.01335%0.351CS..Hα-helixtrans-59.1-30.117027.1-39.4000113.1L136 N139 V140 F143 F211 I212 G213L136-P209 HydrophobicContact CD2-CG 3.87Å; N139-P209 HydrophobicContact CB-CB 3.54Å; N139-P209 HydrophobicContact CB-CG 3.64Å; N139-P209 WeakPolarHBondContact ND2-CB 3.27Å; N139-P209 WeakPolarHBondContact ND2-CG 3.4Å; V140-P209 HydrophobicContact CG2-CB 4.18Å; F143-P209 HydrophobicContact CE2-CB 4.22Å; F143-P209 WeakPolarHBondContact CE2-O 3.42Å; P209-F211 VanDerWaalsContact C-N 3.32Å; P209-F211 PolarHBondContact O-N 3.47Å; P209-I212 CarbonylContact O-C 3.58Å; P209-I212 WeakPolarHBondContact O-CB 3.23Å; P209-I212 PolarHBondContact O-N 3.43Å; P209-G213 PolarHBondContact O-N 2.93Å
210N74.9Confident66.6Low9 Ų959.1 Ų59.15%0.04832%0.316CS..Hα-helixtrans-65.2-33.6177.6-54.1-44.9000112.3N139 S173 W176 I208 G213 V214N139-N210 PolarHBondContact ND2-OD1 3.43Å; S173-N210 WeakPolarHBondContact CB-O 3.45Å; W176-N210 HydrophobicContact CB-CB 4.13Å; W176-N210 VanDerWaalsContact CB-CG 3.48Å; W176-N210 WeakPolarHBondContact CB-ND2 3.46Å; I208-N210 HydrophobicContact CG2-CB 3.61Å; I208-N210 VanDerWaalsContact CG2-N 3.32Å; I208-N210 PolarHBondContact O-N 3.13Å; N210-G213 PolarHBondContact O-N 2.8Å; N210-V214 WeakPolarHBondContact O-CG2 3.14Å; N210-V214 PolarHBondContact O-N 2.9Å
211F76Confident67.9Low90 Ų9057.5 Ų57.540%0.39531%0.305SS..Hα-helixtrans-68.8-44.1173.4-178.8-105.6000110.9Y177 V190 I208 P209 G213 V214 C215Y177-F211 HydrophobicContact CD2-CB 4.38Å; V190-F211 HydrophobicContact CG2-CB 4.36Å; V190-F211 HydrophobicContact CG2-CG 4.4Å; I208-F211 HydrophobicContact CB-CB 4.38Å; I208-F211 PolarHBondContact O-N 3.1Å; I208-F211 VanDerWaalsContact O-N 3.1Å; P209-F211 VanDerWaalsContact C-N 3.32Å; P209-F211 PolarHBondContact O-N 3.47Å; F211-G213 PolarHBondContact O-N 2.85Å; F211-V214 WeakPolarHBondContact O-CB 3.43Å; F211-V214 PolarHBondContact O-N 3.04Å; F211-V214 VanDerWaalsContact O-N 3.07Å; F211-C215 VanDerWaalsContact CE1-SG 3.56Å; F211-C215 PolarHBondContact O-N 2.89Å; F211-C215 PolarHBondContact O-SG 3.29Å
212I78.3Confident69.5Low68 Ų6856.6 Ų56.635%0.34929%0.294SS..Hα-helixtrans-54.9-42.5170.9-62.1173000110.1V140 F143 I208 P209 C215 L216V140-I212 HydrophobicContact CG2-CD1 4.11Å; F143-I212 HydrophobicContact CD2-CG2 4.47Å; I208-I212 PolarHBondContact O-N 3.43Å; P209-I212 CarbonylContact O-C 3.58Å; P209-I212 WeakPolarHBondContact O-CB 3.23Å; P209-I212 PolarHBondContact O-N 3.43Å; I212-C215 PolarHBondContact O-N 3.48Å; I212-L216 HydrophobicContact CG2-CD1 3.79Å; I212-L216 HydrophobicContact CG2-CG 4.21Å; I212-L216 WeakPolarHBondContact O-CB 3.41Å; I212-L216 VanDerWaalsContact O-CG 3.25Å; I212-L216 WeakPolarHBondContact O-CG 3.33Å; I212-L216 PolarHBondContact O-N 2.97Å
213G77.7Confident70.9Confident1 Ų151.1 Ų51.11%0.0127%0.266CS..Hα-helixtrans-59.8-44.3174.800000113.4F143 P209 N210 F211 L216 A217F143-G213 VanDerWaalsContact CE1-CA 3.49Å; P209-G213 PolarHBondContact O-N 2.93Å; N210-G213 PolarHBondContact O-N 2.8Å; F211-G213 PolarHBondContact O-N 2.85Å; G213-L216 PolarHBondContact O-N 2.95Å; G213-A217 VanDerWaalsContact O-CB 3.25Å; G213-A217 WeakPolarHBondContact O-CB 3.46Å; G213-A217 PolarHBondContact O-N 3.48Å
214V80.9Confident72.2Confident30 Ų3045.7 Ų45.718%0.18224%0.242CC..Hα-helixtrans-61.6-47.6174.2170.80000110.8L170 A174 N210 F211 L216 A217 S218L170-V214 HydrophobicContact CD1-CB 4.4Å; L170-V214 HydrophobicContact CD1-CG1 3.93Å; A174-V214 HydrophobicContact CB-CG2 4.13Å; N210-V214 WeakPolarHBondContact O-CG2 3.14Å; N210-V214 PolarHBondContact O-N 2.9Å; F211-V214 WeakPolarHBondContact O-CB 3.43Å; F211-V214 PolarHBondContact O-N 3.04Å; F211-V214 VanDerWaalsContact O-N 3.07Å; V214-L216 PolarHBondContact O-N 3.23Å; V214-A217 PolarHBondContact O-N 2.57Å; V214-S218 VanDerWaalsContact O-CB 3.27Å; V214-S218 WeakPolarHBondContact O-CB 3.44Å; V214-S218 PolarHBondContact O-N 3.1Å; V214-S218 PolarHBondContact O-OG 3.43Å
215C83.5Confident73.5Confident60 Ų6048.6 Ų48.641%0.40525%0.254SS..Hα-helixtrans-60.7-46.4178.3-67.90000111.8F211 I212 S218 F219F211-C215 VanDerWaalsContact CE1-SG 3.56Å; F211-C215 PolarHBondContact O-N 2.89Å; F211-C215 PolarHBondContact O-SG 3.29Å; I212-C215 PolarHBondContact O-N 3.48Å; C215-S218 PolarHBondContact O-N 3.46Å; C215-F219 WeakPolarHBondContact O-CB 3.04Å; C215-F219 PolarHBondContact O-N 3.45Å
216L80.9Confident74.9Confident38 Ų3847.1 Ų47.120%0.19925%0.246CC..Hα-helixtrans-65-45.3178.9-73.4175000112.1F143 L147 I212 G213 V214 S218 F219 Q220F143-L216 HydrophobicContact CB-CD1 3.56Å; F143-L216 HydrophobicContact CD1-CD1 4.21Å; F143-L216 HydrophobicContact CD2-CD1 4.46Å; F143-L216 HydrophobicContact CG-CD1 3.85Å; L147-L216 HydrophobicContact CD1-CD2 4.39Å; I212-L216 HydrophobicContact CG2-CD1 3.79Å; I212-L216 HydrophobicContact CG2-CG 4.21Å; I212-L216 WeakPolarHBondContact O-CB 3.41Å; I212-L216 VanDerWaalsContact O-CG 3.25Å; I212-L216 WeakPolarHBondContact O-CG 3.33Å; I212-L216 PolarHBondContact O-N 2.97Å; G213-L216 PolarHBondContact O-N 2.95Å; V214-L216 PolarHBondContact O-N 3.23Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 2.99Å; L216-F219 PolarHBondContact O-N 3.48Å; L216-Q220 WeakPolarHBondContact O-CB 3.31Å; L216-Q220 VanDerWaalsContact O-CG 3.26Å; L216-Q220 WeakPolarHBondContact O-CG 3.17Å; L216-Q220 PolarHBondContact O-N 2.78Å
217A79.9Confident75.9Confident2 Ų248.5 Ų48.52%0.01725%0.249CC..Hα-helixtrans-66-37.5178.300000111.4I166 N169 L170 G213 V214 Q220 L221I166-A217 HydrophobicContact CG2-CB 4.38Å; I166-A217 WeakPolarHBondContact CG2-O 3.27Å; N169-A217 HydrophobicContact CB-CB 4.49Å; L170-A217 HydrophobicContact CB-CB 3.78Å; L170-A217 HydrophobicContact CD1-CB 4.08Å; G213-A217 VanDerWaalsContact O-CB 3.25Å; G213-A217 WeakPolarHBondContact O-CB 3.46Å; G213-A217 PolarHBondContact O-N 3.48Å; V214-A217 PolarHBondContact O-N 2.57Å; A217-Q220 PolarHBondContact O-N 3.08Å; A217-L221 WeakPolarHBondContact O-CG 3.24Å; A217-L221 PolarHBondContact O-N 3.47Å
218S84.3Confident76.5Confident52 Ų5250.3 Ų50.336%0.36427%0.265SS..Hα-helixtrans-64.7-43.8174.2-57.60000111.6V214 C215 L216 L221 S222V214-S218 VanDerWaalsContact O-CB 3.27Å; V214-S218 WeakPolarHBondContact O-CB 3.44Å; V214-S218 PolarHBondContact O-N 3.1Å; V214-S218 PolarHBondContact O-OG 3.43Å; C215-S218 PolarHBondContact O-N 3.46Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 2.99Å; S218-L221 PolarHBondContact O-N 3.44Å; S218-S222 PolarHBondContact O-N 3.23Å
219F83.9Confident76.3Confident105 Ų10553.3 Ų53.346%0.46128%0.284SS..Hα-helixtrans-60.2-47.2173.7178.7-117.2000111.2L150 C215 L216 L221 S222 L223L150-F219 HydrophobicContact CD2-CD1 3.97Å; L150-F219 HydrophobicContact CD2-CE1 3.54Å; C215-F219 WeakPolarHBondContact O-CB 3.04Å; C215-F219 PolarHBondContact O-N 3.45Å; L216-F219 PolarHBondContact O-N 3.48Å; F219-L221 VanDerWaalsContact C-N 3.32Å; F219-L221 PolarHBondContact O-N 3.08Å; F219-S222 PolarHBondContact O-N 3.37Å; F219-S222 VanDerWaalsContact O-N 3.16Å; F219-S222 PolarHBondContact O-OG 2.86Å; F219-L223 HydrophobicContact CE1-CD1 4.17Å; F219-L223 HydrophobicContact CZ-CD1 4.34Å; F219-L223 PolarHBondContact O-N 3.39Å; F219-L223 VanDerWaalsContact O-N 3.15Å
220Q79.2Confident75.7Confident10 Ų1061.9 Ų61.95%0.04732%0.324CS..Hα-helixtrans-58.5-40.8175.4-73.5174.2-16.900112.7F157 I166 L216 A217 L223 F224F157-Q220 HydrophobicContact CZ-CG 4.32Å; I166-Q220 HydrophobicContact CD1-CB 4.22Å; I166-Q220 HydrophobicContact CG1-CB 4.5Å; I166-Q220 HydrophobicContact CG2-CB 3.63Å; L216-Q220 WeakPolarHBondContact O-CB 3.31Å; L216-Q220 VanDerWaalsContact O-CG 3.26Å; L216-Q220 WeakPolarHBondContact O-CG 3.17Å; L216-Q220 PolarHBondContact O-N 2.78Å; A217-Q220 PolarHBondContact O-N 3.08Å; Q220-L223 PolarHBondContact O-N 3.45Å; Q220-F224 VanDerWaalsContact O-CD2 3.25Å; Q220-F224 WeakPolarHBondContact O-CD2 3.09Å
221L79.7Confident74.6Confident42 Ų4272.2 Ų72.222%0.2236%0.362CS..Hα-helixtrans-67.8-38.8175.2-72.2172.7000112.7I166 I167 L170 A217 S218 F219 L223 F224 L225I166-L221 HydrophobicContact CB-CD2 4.15Å; I166-L221 HydrophobicContact CG2-CD1 4.5Å; I166-L221 HydrophobicContact CG2-CD2 3.79Å; I166-L221 HydrophobicContact CG2-CG 3.66Å; I167-L221 HydrophobicContact CG1-CD1 4.49Å; I167-L221 HydrophobicContact CG1-CD2 3.81Å; L170-L221 HydrophobicContact CD2-CD1 3.64Å; A217-L221 WeakPolarHBondContact O-CG 3.24Å; A217-L221 PolarHBondContact O-N 3.47Å; S218-L221 PolarHBondContact O-N 3.44Å; F219-L221 VanDerWaalsContact C-N 3.32Å; F219-L221 PolarHBondContact O-N 3.08Å; L221-L223 PolarHBondContact O-N 3.46Å; L221-F224 WeakPolarHBondContact O-CB 3.32Å; L221-F224 PolarHBondContact O-N 2.96Å; L221-L225 PolarHBondContact O-N 3.44Å
222S82.9Confident73.1Confident41 Ų4175.6 Ų75.629%0.28738%0.379SS..Hα-helixtrans-60.1-34176.4720000112S218 F219 F224 L225 I226S218-S222 PolarHBondContact O-N 3.23Å; F219-S222 PolarHBondContact O-N 3.37Å; F219-S222 VanDerWaalsContact O-N 3.16Å; F219-S222 PolarHBondContact O-OG 2.86Å; S222-F224 VanDerWaalsContact C-N 3.27Å; S222-F224 PolarHBondContact O-N 3.47Å; S222-L225 WeakPolarHBondContact O-CB 3.47Å; S222-L225 PolarHBondContact O-N 2.85Å; S222-I226 WeakPolarHBondContact O-CG1 3.31Å; S222-I226 PolarHBondContact O-N 3.19Å
223L75.8Confident71.2Confident15 Ų1581.1 Ų81.18%0.07940%0.403CS..Hα-helixtrans-63.8-31.1174.6-67172.4000112.7L150 F157 F219 Q220 L221 L225 I226 Y227L150-L223 HydrophobicContact CD1-CD1 3.29Å; L150-L223 HydrophobicContact CD2-CD1 3.82Å; L150-L223 HydrophobicContact CG-CD1 4.21Å; F157-L223 HydrophobicContact CD1-CB 4.35Å; F157-L223 HydrophobicContact CD1-CD1 4.42Å; F157-L223 HydrophobicContact CE1-CB 4.16Å; F157-L223 HydrophobicContact CE1-CD1 4.01Å; F157-L223 HydrophobicContact CZ-CD1 4.37Å; F219-L223 HydrophobicContact CE1-CD1 4.17Å; F219-L223 HydrophobicContact CZ-CD1 4.34Å; F219-L223 PolarHBondContact O-N 3.39Å; F219-L223 VanDerWaalsContact O-N 3.15Å; Q220-L223 PolarHBondContact O-N 3.45Å; L221-L223 PolarHBondContact O-N 3.46Å; L223-L225 VanDerWaalsContact C-N 3.29Å; L223-L225 PolarHBondContact O-N 3.03Å; L223-I226 PolarHBondContact O-N 3.47Å; L223-Y227 HydrophobicContact CD2-CD2 4.4Å; L223-Y227 HydrophobicContact CD2-CE2 4.22Å; L223-Y227 WeakPolarHBondContact O-CB 3.41Å; L223-Y227 WeakPolarHBondContact O-CD2 3.47Å; L223-Y227 PolarHBondContact O-N 3.15Å
224F72Confident69.4Low15 Ų1588.3 Ų88.37%0.06644%0.436CS..Hα-helixtrans-73.1-21.5173.1-77.8-80.2000113.8F157 T158 L161 K163 I166 Q220 L221 S222F157-F224 HydrophobicContact CD1-CE2 4.23Å; F157-F224 HydrophobicContact CD1-CZ 4.39Å; F157-F224 HydrophobicContact CE1-CD2 4.45Å; F157-F224 AromaticContact CE1-CE2 3.75Å; F157-F224 HydrophobicContact CE1-CE2 3.75Å; F157-F224 HydrophobicContact CE1-CZ 4.29Å; T158-F224 HydrophobicContact CG2-CD1 4.07Å; T158-F224 HydrophobicContact CG2-CE1 3.87Å; L161-F224 VanDerWaalsContact O-CZ 3.26Å; L161-F224 WeakPolarHBondContact O-CZ 3.31Å; K163-F224 HydrophobicContact CD-CD1 3.92Å; K163-F224 HydrophobicContact CD-CE1 4.18Å; K163-F224 HydrophobicContact CD-CG 4.4Å; K163-F224 HydrophobicContact CG-CD1 3.59Å; K163-F224 HydrophobicContact CG-CD2 4.3Å; K163-F224 HydrophobicContact CG-CE1 3.49Å; K163-F224 VanDerWaalsContact CG-CE1 3.49Å; K163-F224 HydrophobicContact CG-CE2 4.34Å; K163-F224 HydrophobicContact CG-CG 3.96Å; K163-F224 HydrophobicContact CG-CZ 3.92Å; I166-F224 HydrophobicContact CD1-CD2 3.97Å; I166-F224 HydrophobicContact CD1-CE2 3.19Å; I166-F224 HydrophobicContact CD1-CZ 3.95Å; Q220-F224 VanDerWaalsContact O-CD2 3.25Å; Q220-F224 WeakPolarHBondContact O-CD2 3.09Å; L221-F224 WeakPolarHBondContact O-CB 3.32Å; L221-F224 PolarHBondContact O-N 2.96Å; S222-F224 VanDerWaalsContact C-N 3.27Å; S222-F224 PolarHBondContact O-N 3.47Å
225L74.5Confident67.7Low149 Ų14996.2 Ų96.278%0.7849%0.488SS*.Hα-helixtrans-80.3-35.3172.5-60.9177.2000111.1L221 S222 L223L221-L225 PolarHBondContact O-N 3.44Å; S222-L225 WeakPolarHBondContact O-CB 3.47Å; S222-L225 PolarHBondContact O-N 2.85Å; L223-L225 VanDerWaalsContact C-N 3.29Å; L223-L225 PolarHBondContact O-N 3.03Å
226I76.4Confident66.9Low111 Ų11198.1 Ų98.157%0.56949%0.492SS*.Hα-helixtrans-77.8-39178.5-62.5165.4000111.3S222 L223 P228S222-I226 WeakPolarHBondContact O-CG1 3.31Å; S222-I226 PolarHBondContact O-N 3.19Å; L223-I226 PolarHBondContact O-N 3.47Å; I226-P228 VanDerWaalsContact C-CD 3.46Å; I226-P228 VanDerWaalsContact O-CD 3.27Å; I226-P228 WeakPolarHBondContact O-CD 3.48Å
227Y68.9Low66.1Low125 Ų125101.2 Ų101.249%0.4951%0.508SS..SBendtrans-117.174.4179.5-59.4-81.1000110.3L223 T229L223-Y227 HydrophobicContact CD2-CD2 4.4Å; L223-Y227 HydrophobicContact CD2-CE2 4.22Å; L223-Y227 WeakPolarHBondContact O-CB 3.41Å; L223-Y227 WeakPolarHBondContact O-CD2 3.47Å; L223-Y227 PolarHBondContact O-N 3.15Å; Y227-T229 PolarHBondContact O-N 3.17Å
228P63Low65.4Low90 Ų90106.7 Ų106.758%0.58454%0.535SS*.  trans-62.6129.117526.6-32.6000109.4I226 E230I226-P228 VanDerWaalsContact C-CD 3.46Å; I226-P228 VanDerWaalsContact O-CD 3.27Å; I226-P228 WeakPolarHBondContact O-CD 3.48Å; P228-E230 PolarHBondContact O-N 3.2Å
229T60.6Low64.3Low65 Ų65109.9 Ų109.940%0.39955%0.545SS..  trans-54.6111.1170.7-45.60000108.6T158 Y227 R231T158-T229 WeakPolarHBondContact CB-OG1 3.39Å; Y227-T229 PolarHBondContact O-N 3.17Å; T229-R231 PolarHBondContact O-N 3.29Å; T229-R231 VanDerWaalsContact O-N 3.11Å
230E56.8Low63Low182 Ų182110.3 Ų110.385%0.8555%0.55SS**  trans-58.8118.9165.8-67.9-161.117200106.7P228 E232P228-E230 PolarHBondContact O-N 3.2Å; E230-E232 PolarHBondContact O-N 2.91Å; E230-E232 VanDerWaalsContact O-N 3.14Å
231R51.3Low61.9Low225 Ų225116.9 Ų116.985%0.84958%0.584SS**  trans-63.9118.5171.3-64.4-173.9-162.9-173.45.8105.6T229 H233T229-R231 PolarHBondContact O-N 3.29Å; T229-R231 VanDerWaalsContact O-N 3.11Å; R231-H233 VanDerWaalsContact C-N 3.31Å; R231-H233 PolarHBondContact O-N 2.98Å
232E44.5Very low60.7Low161 Ų161122.3 Ų122.375%0.75261%0.61SS**  trans-49.4102.8160.4-74.1-178.2159.900108E230 H234E230-E232 PolarHBondContact O-N 2.91Å; E230-E232 VanDerWaalsContact O-N 3.14Å; E232-H234 PolarHBondContact O-N 3.39Å
233H38.6Very low59Low185 Ų185128.5 Ų128.586%0.85664%0.635SS**  trans-68.693151.4-99.553.5000105.5R231R231-H233 VanDerWaalsContact C-N 3.31Å; R231-H233 PolarHBondContact O-N 2.98Å
234H40.7Very low57.6Low151 Ų151138 Ų13870%0.69968%0.681SS**  trans-103.3126.5151.5-83.3-65.8000107.1E232E232-H234 PolarHBondContact O-N 3.39Å
235P43.4Very low56.2Low197 Ų197149.2 Ų149.2100%1.27974%0.737SS**  trans-60.80175.527-34000112.4

Retrieved 235 of 235 residues in 705 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).