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Mitochondrial brown fat uncoupling protein 1

Mitochondrial protein responsible for thermogenic respiration, a specialized capacity of brown adipose tissue and beige fat that participates in non-shivering adaptive thermogenesis to temperature and diet variations and more generally to the regulation of energy balance. Functions as a long-chain fatty acid/LCFA and proton symporter, simultaneously transporting one LCFA and one proton through the inner mitochondrial membrane. However, LCFAs remaining associated with the transporter via their hydrophobic tails, it results in an apparent transport of protons activated by LCFAs. Thereby, dissipates the mitochondrial proton gradient and converts the energy of substrate oxydation into heat instead of ATP. Regulates the production of reactive oxygen species/ROS by mitochondria.

AlphaFold DB , UniProt , Accession A0A096MP13, Species PAPAN (Papio anubis, Olive baboon), Gene UCP1, Length 307 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34Very low35.5Very low249 Ų249122.1 Ų122.1100%1.22776%0.764SS**  0990-91.3158.8118.600107.4
2G29.5Very low38.1Very low76 Ų76119.4 Ų119.478%0.78475%0.747SS**  trans-76.7120.3-17400000111.3L4G2-L4 PolarHBondContact O-N 3.05Å
3G27.6Very low40.2Very low78 Ų78117.8 Ų117.880%0.80473%0.729SS**  trans-75.1101.5165.600000108.9T5G3-T5 PolarHBondContact O-N 3.38Å
4L31Very low42.2Very low171 Ų171112.6 Ų112.690%0.89571%0.711SS**  trans-68111.8168-82.7149.4000108.2G2 A6G2-L4 PolarHBondContact O-N 3.05Å; L4-A6 PolarHBondContact O-N 3.45Å
5T31Very low44.1Very low123 Ų123110.1 Ų110.176%0.75569%0.688SS**  trans-53115.3166.942.30000109.8G3 S7G3-T5 PolarHBondContact O-N 3.38Å; T5-S7 PolarHBondContact O-N 3.33Å
6A32.1Very low45.7Very low112 Ų112107.1 Ų107.193%0.92666%0.664SS**SBendtrans-72.957.3176.300000112.2L4L4-A6 PolarHBondContact O-N 3.45Å
7S35.6Very low47.2Very low93 Ų93103.4 Ų103.465%0.6564%0.638SS**  trans-104.9-9.4-179.4-158.90000115.3T5T5-S7 PolarHBondContact O-N 3.33Å
8D33.5Very low48.8Very low138 Ų138105.4 Ų105.474%0.73864%0.637SS**  trans-12863.8-173.3-68.9-46.8000113.3
9V41.6Very low50.1Low116 Ų116100.2 Ų100.270%0.70361%0.606SS**  trans-105.195.8156.2-174.70000107.2P11V9-P11 WeakPolarHBondContact O-CD 3.35Å
10H40.8Very low51.2Low154 Ų15496.5 Ų96.571%0.71359%0.586SS**PPolyproline II helixtrans-51.4121.6172.5-78.3-88.9000109T12H10-T12 PolarHBondContact O-N 3.22Å
11P54.3Low52.4Low33 Ų3392.4 Ų92.421%0.21456%0.563CS.*PPolyproline II helixtrans-58.9140.1174.7-1.77000108.9V9 L13 Q16V9-P11 WeakPolarHBondContact O-CD 3.35Å; P11-L13 PolarHBondContact O-N 3.46Å; P11-Q16 HydrophobicContact CB-CG 3.75Å; P11-Q16 HydrophobicContact CG-CG 3.82Å
12T66.4Low54.6Low90 Ų9083.5 Ų83.555%0.55252%0.52SS*.PPolyproline II helixtrans-50.2135.3177.4-21.70000109.4H10 G14 I15 Q16H10-T12 PolarHBondContact O-N 3.22Å; T12-G14 PolarHBondContact O-N 2.69Å; T12-I15 WeakPolarHBondContact O-CA 3.37Å; T12-I15 WeakPolarHBondContact O-CB 3.29Å; T12-I15 PolarHBondContact O-N 2.97Å; T12-Q16 PolarHBondContact O-N 2.89Å
13L65.3Low56.8Low98 Ų9879.9 Ų79.951%0.51348%0.483SS..Hα-helixtrans-49-37.7-172.7-159.5110.7000112.5P11 I15 Q16 L17P11-L13 PolarHBondContact O-N 3.46Å; L13-I15 PolarHBondContact O-N 3.34Å; L13-Q16 PolarHBondContact O-N 3.43Å; L13-L17 HydrophobicContact CD2-CD1 3.7Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.26Å
14G67.9Low59.1Low46 Ų4676.3 Ų76.347%0.47445%0.446SS..Hα-helixtrans-62.9-38.3175.100000114.9T12 L17 F18T12-G14 PolarHBondContact O-N 2.69Å; G14-L17 PolarHBondContact O-N 3.01Å; G14-F18 VanDerWaalsContact O-CB 3.24Å; G14-F18 WeakPolarHBondContact O-CB 3.45Å; G14-F18 PolarHBondContact O-N 2.99Å
15I71.6Confident61.4Low74 Ų7469.5 Ų69.538%0.37941%0.412SS..Hα-helixtrans-69.3-39177-61.4175.2000110T12 L13 S19 L296T12-I15 WeakPolarHBondContact O-CA 3.37Å; T12-I15 WeakPolarHBondContact O-CB 3.29Å; T12-I15 PolarHBondContact O-N 2.97Å; L13-I15 PolarHBondContact O-N 3.34Å; I15-S19 VanDerWaalsContact O-CB 3.28Å; I15-S19 WeakPolarHBondContact O-CB 3.33Å; I15-S19 PolarHBondContact O-N 3.24Å; I15-S19 PolarHBondContact O-OG 3.16Å; I15-L296 HydrophobicContact CG2-CD1 3.8Å
16Q69Low63.7Low63 Ų6367.7 Ų67.729%0.29440%0.397SS..Hα-helixtrans-65.2-44.2175.4-63.6-171.9-37.100111.4P11 T12 L13 S19 A20P11-Q16 HydrophobicContact CB-CG 3.75Å; P11-Q16 HydrophobicContact CG-CG 3.82Å; T12-Q16 PolarHBondContact O-N 2.89Å; L13-Q16 PolarHBondContact O-N 3.43Å; Q16-S19 WeakPolarHBondContact CA-OG 3.35Å; Q16-S19 PolarHBondContact O-OG 3.46Å; Q16-A20 WeakPolarHBondContact O-CB 3.26Å; Q16-A20 PolarHBondContact O-N 2.97Å
17L71.3Confident65.7Low44 Ų4462.4 Ų62.423%0.2335%0.353CS..Hα-helixtrans-67.3-40.5178.9-71170.8000112.3L13 G14 G21 I93L13-L17 HydrophobicContact CD2-CD1 3.7Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.26Å; G14-L17 PolarHBondContact O-N 3.01Å; L17-G21 PolarHBondContact O-N 3.01Å; L17-I93 HydrophobicContact CB-CD1 4.25Å; L17-I93 HydrophobicContact CB-CG1 4.04Å; L17-I93 HydrophobicContact CD1-CG1 3.85Å; L17-I93 HydrophobicContact CG-CG1 4.45Å
18F75.7Confident67.8Low140 Ų14058.2 Ų58.261%0.61432%0.324SS*.Hα-helixtrans-68.5-45.1178.1-171.3-105.5000112.2G14 G21 I22G14-F18 VanDerWaalsContact O-CB 3.24Å; G14-F18 WeakPolarHBondContact O-CB 3.45Å; G14-F18 PolarHBondContact O-N 2.99Å; F18-G21 PolarHBondContact O-N 3.26Å; F18-I22 HydrophobicContact CD1-CD1 3.8Å; F18-I22 HydrophobicContact CE1-CD1 3.31Å; F18-I22 HydrophobicContact CE1-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.72Å; F18-I22 HydrophobicContact CZ-CG1 4.46Å; F18-I22 PolarHBondContact O-N 3.46Å
19S73.1Confident70Confident6 Ų654.2 Ų54.24%0.04230%0.304CS..Hα-helixtrans-65.1-39.1175.756.30000112.1I15 Q16 I22 A23I15-S19 VanDerWaalsContact O-CB 3.28Å; I15-S19 WeakPolarHBondContact O-CB 3.33Å; I15-S19 PolarHBondContact O-N 3.24Å; I15-S19 PolarHBondContact O-OG 3.16Å; Q16-S19 WeakPolarHBondContact CA-OG 3.35Å; Q16-S19 PolarHBondContact O-OG 3.46Å; S19-I22 PolarHBondContact O-N 3.27Å; S19-A23 VanDerWaalsContact O-CB 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.49Å
20A72.6Confident71.8Confident25 Ų2553.3 Ų53.321%0.20730%0.295CS..Hα-helixtrans-64-37.9171.800000112.5Q16 A24 F289Q16-A20 WeakPolarHBondContact O-CB 3.26Å; Q16-A20 PolarHBondContact O-N 2.97Å; A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.33Å; A20-A24 PolarHBondContact O-N 3.47Å; A20-F289 HydrophobicContact CB-CD2 4.13Å; A20-F289 HydrophobicContact CB-CE2 4.13Å
21G76.6Confident73.3Confident11 Ų1146 Ų4611%0.11326%0.261CS..Hα-helixtrans-63.1-47.1175.700000112.7L17 F18 A24 C25L17-G21 PolarHBondContact O-N 3.01Å; F18-G21 PolarHBondContact O-N 3.26Å; G21-A24 PolarHBondContact O-N 2.76Å; G21-C25 PolarHBondContact O-N 2.89Å; G21-C25 PolarHBondContact O-SG 3.37Å; G21-C25 VanDerWaalsContact O-SG 3.37Å
22I80Confident74.4Confident62 Ų6244.5 Ų44.532%0.31825%0.251SS..Hα-helixtrans-64.6-45.5176.2-67.4174.3000110.8F18 S19 A24 C25 L26 L292F18-I22 HydrophobicContact CD1-CD1 3.8Å; F18-I22 HydrophobicContact CE1-CD1 3.31Å; F18-I22 HydrophobicContact CE1-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.72Å; F18-I22 HydrophobicContact CZ-CG1 4.46Å; F18-I22 PolarHBondContact O-N 3.46Å; S19-I22 PolarHBondContact O-N 3.27Å; I22-A24 VanDerWaalsContact C-N 3.29Å; I22-A24 PolarHBondContact O-N 3.5Å; I22-C25 PolarHBondContact O-N 2.97Å; I22-L26 HydrophobicContact CG2-CD1 3.74Å; I22-L26 WeakPolarHBondContact O-CD1 3.17Å; I22-L26 PolarHBondContact O-N 2.92Å; I22-L292 HydrophobicContact CB-CD1 4.3Å; I22-L292 HydrophobicContact CG2-CD1 4.02Å
23A76.6Confident74.7Confident0 Ų041.4 Ų41.40%023%0.232CC..Hα-helixtrans-58.1-42.8176.900000111.7S19 L26 A27 C288 F289 L292S19-A23 VanDerWaalsContact O-CB 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.49Å; A23-L26 PolarHBondContact O-N 3.37Å; A23-A27 WeakPolarHBondContact O-CB 3.31Å; A23-A27 PolarHBondContact O-N 3.38Å; A23-C288 HydrophobicContact CB-CB 3.81Å; A23-F289 HydrophobicContact CB-CB 4.1Å; A23-L292 HydrophobicContact CB-CD1 4.04Å
24A74.5Confident75Confident3 Ų338.6 Ų38.63%0.02522%0.217CC..Hα-helixtrans-66.8-38.1177.400000112.6A20 G21 I22 A27 D28 Q85 W281A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.33Å; A20-A24 PolarHBondContact O-N 3.47Å; G21-A24 PolarHBondContact O-N 2.76Å; I22-A24 VanDerWaalsContact C-N 3.29Å; I22-A24 PolarHBondContact O-N 3.5Å; A24-A27 PolarHBondContact O-N 2.85Å; A24-D28 WeakPolarHBondContact O-CB 3.41Å; A24-D28 PolarHBondContact O-N 2.84Å; A24-Q85 HydrophobicContact CB-CG 4.13Å; A24-W281 HydrophobicContact CB-CZ2 4.44Å
25C79.6Confident75.1Confident28 Ų2836.8 Ų36.819%0.18920%0.197CC..Hα-helixtrans-63.7-42.6173.6-730000112.1G21 I22 D28 V29 L82G21-C25 PolarHBondContact O-N 2.89Å; G21-C25 PolarHBondContact O-SG 3.37Å; G21-C25 VanDerWaalsContact O-SG 3.37Å; I22-C25 PolarHBondContact O-N 2.97Å; C25-D28 PolarHBondContact O-N 3.23Å; C25-V29 WeakPolarHBondContact O-CG2 3.05Å; C25-V29 PolarHBondContact O-N 2.99Å; C25-L82 HydrophobicContact CB-CD2 4Å
26L79.9Confident75Confident86 Ų8633.3 Ų33.345%0.4518%0.179SC..Hα-helixtrans-63.9-44.2174.2-9597.5000111.8I22 A23 D28 V29 I30I22-L26 HydrophobicContact CG2-CD1 3.74Å; I22-L26 WeakPolarHBondContact O-CD1 3.17Å; I22-L26 PolarHBondContact O-N 2.92Å; A23-L26 PolarHBondContact O-N 3.37Å; L26-D28 VanDerWaalsContact C-N 3.3Å; L26-D28 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 2.92Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.42Å
27A74.4Confident74.9Confident0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-59.6-42.5176.400000111.5A23 A24 V29 I30 T31 I284 M285A23-A27 WeakPolarHBondContact O-CB 3.31Å; A23-A27 PolarHBondContact O-N 3.38Å; A24-A27 PolarHBondContact O-N 2.85Å; A27-V29 PolarHBondContact O-N 3.05Å; A27-I30 PolarHBondContact O-N 3.45Å; A27-T31 WeakPolarHBondContact O-CB 3.29Å; A27-T31 WeakPolarHBondContact O-CG2 3.43Å; A27-T31 PolarHBondContact O-N 2.95Å; A27-T31 PolarHBondContact O-OG1 2.86Å; A27-I284 HydrophobicContact CB-CB 4.28Å; A27-I284 HydrophobicContact CB-CG2 3.86Å; A27-M285 HydrophobicContact CB-CB 4.12Å
28D78.3Confident74.8Confident6 Ų629.3 Ų29.33%0.03216%0.159CC..Hα-helixtrans-61.7-40.6175.2-86.49000111.7A24 C25 L26 F32 R84 W281A24-D28 WeakPolarHBondContact O-CB 3.41Å; A24-D28 PolarHBondContact O-N 2.84Å; C25-D28 PolarHBondContact O-N 3.23Å; L26-D28 VanDerWaalsContact C-N 3.3Å; L26-D28 PolarHBondContact O-N 3.46Å; D28-F32 WeakPolarHBondContact O-CA 3.46Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.3Å; D28-F32 PolarHBondContact O-N 3.38Å; D28-R84 IonicContact OD2-NH2 3.59Å; D28-R84 PolarHBondContact OD2-NH2 3.41Å; D28-W281 PolarHBondContact OD1-NE1 2.91Å
29V81.3Confident74.3Confident54 Ų5423.4 Ų23.433%0.32713%0.134SC..Hα-helixtrans-63.6-44.5176.91720000111.2C25 L26 A27 Y75 L78 L82C25-V29 WeakPolarHBondContact O-CG2 3.05Å; C25-V29 PolarHBondContact O-N 2.99Å; L26-V29 PolarHBondContact O-N 2.92Å; A27-V29 PolarHBondContact O-N 3.05Å; V29-Y75 HydrophobicContact CG1-CE1 4.44Å; V29-Y75 WeakPolarHBondContact O-CE1 3.25Å; V29-L78 HydrophobicContact CG2-CD1 4.02Å; V29-L78 HydrophobicContact CG2-CD2 4.39Å; V29-L82 HydrophobicContact CG2-CD2 4.31Å
30I78.5Confident74Confident97 Ų9723.9 Ų23.950%0.49714%0.135SC..Hα-helixtrans-71.5-37.7-177.2-63.2165.6000111.3L26 A27 P33 I284L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.42Å; A27-I30 PolarHBondContact O-N 3.45Å; I30-P33 WeakPolarHBondContact O-CD 3.28Å; I30-I284 HydrophobicContact CB-CD1 4.3Å; I30-I284 HydrophobicContact CB-CG2 4.46Å; I30-I284 HydrophobicContact CD1-CG2 3.82Å; I30-I284 HydrophobicContact CG2-CD1 3.68Å
31T73.3Confident73.7Confident1 Ų124.6 Ų24.61%0.00614%0.135CC..Hα-helixtrans-88.4-7.8-178.9570000114.2A27 P33 L34 D35 W281 I284A27-T31 WeakPolarHBondContact O-CB 3.29Å; A27-T31 WeakPolarHBondContact O-CG2 3.43Å; A27-T31 PolarHBondContact O-N 2.95Å; A27-T31 PolarHBondContact O-OG1 2.86Å; T31-P33 VanDerWaalsContact C-CD 3.42Å; T31-P33 VanDerWaalsContact C-N 3.33Å; T31-L34 WeakPolarHBondContact O-CB 3.17Å; T31-L34 PolarHBondContact O-N 2.91Å; T31-D35 PolarHBondContact O-N 3.36Å; T31-D35 VanDerWaalsContact O-N 3.14Å; T31-W281 HydrophobicContact CG2-CB 4.2Å; T31-I284 HydrophobicContact CG2-CD1 3.64Å
32F75.6Confident73Confident1 Ų125 Ų250%0.00413%0.134CC..Hα-helixtrans-52.4-40.7-179.4-148.7-92.9000114.7D28 L34 D35 T36 L74 Y75 L78 Q142D28-F32 WeakPolarHBondContact O-CA 3.46Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.3Å; D28-F32 PolarHBondContact O-N 3.38Å; F32-L34 VanDerWaalsContact C-N 3.27Å; F32-L34 PolarHBondContact O-N 2.99Å; F32-D35 WeakPolarHBondContact O-CB 3.19Å; F32-D35 PolarHBondContact O-N 3.21Å; F32-T36 PolarHBondContact O-N 3Å; F32-T36 PolarHBondContact O-OG1 2.87Å; F32-L74 WeakPolarHBondContact CD1-O 3.29Å; F32-L74 WeakPolarHBondContact CE1-O 3.25Å; F32-Y75 HydrophobicContact CB-CD1 4.12Å; F32-Y75 HydrophobicContact CB-CE1 4.2Å; F32-Y75 HydrophobicContact CD1-CD1 4.22Å; F32-Y75 HydrophobicContact CG-CD1 4.4Å; F32-L78 HydrophobicContact CB-CD1 4.22Å; F32-L78 HydrophobicContact CD1-CB 4.32Å; F32-L78 HydrophobicContact CD2-CB 4.31Å; F32-L78 HydrophobicContact CD2-CD1 3.5Å; F32-L78 VanDerWaalsContact CD2-CD1 3.5Å; F32-L78 HydrophobicContact CE1-CB 4.17Å; F32-L78 HydrophobicContact CE2-CB 4.16Å; F32-L78 HydrophobicContact CE2-CD1 4.02Å; F32-L78 HydrophobicContact CG-CB 4.4Å; F32-L78 HydrophobicContact CG-CD1 3.8Å; F32-L78 VanDerWaalsContact CZ-CA 3.44Å; F32-L78 HydrophobicContact CZ-CB 4.11Å; F32-Q142 HydrophobicContact CZ-CG 4.33Å
33P73.8Confident72.1Confident24 Ų2423.7 Ų23.716%0.15613%0.127CC..Hα-helixtrans-57.9-36.8174.6-29.439.3000113.9I30 T31 A37 L74I30-P33 WeakPolarHBondContact O-CD 3.28Å; T31-P33 VanDerWaalsContact C-CD 3.42Å; T31-P33 VanDerWaalsContact C-N 3.33Å; P33-A37 WeakPolarHBondContact O-CB 3.1Å; P33-A37 PolarHBondContact O-N 2.66Å; P33-L74 HydrophobicContact CB-CD2 3.71Å; P33-L74 HydrophobicContact CG-CD2 4.41Å
34L71.9Confident71.2Confident39 Ų3926.5 Ų26.520%0.20414%0.141CC..Hα-helixtrans-72.7-40178.1-65.7168.5000111.2T31 F32 T36 A37 K38 V58 I62T31-L34 WeakPolarHBondContact O-CB 3.17Å; T31-L34 PolarHBondContact O-N 2.91Å; F32-L34 VanDerWaalsContact C-N 3.27Å; F32-L34 PolarHBondContact O-N 2.99Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-A37 PolarHBondContact O-N 2.84Å; L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 PolarHBondContact O-N 2.74Å; L34-V58 HydrophobicContact CD2-CG1 3.68Å; L34-I62 HydrophobicContact CD2-CD1 3.99Å
35D70Confident70.1Confident8 Ų828.2 Ų28.24%0.04316%0.159CC..Hα-helixtrans-55.9-50.3172.9-90.515.4000110.5T31 F32 A37 K38 V39 K138 R277T31-D35 PolarHBondContact O-N 3.36Å; T31-D35 VanDerWaalsContact O-N 3.14Å; F32-D35 WeakPolarHBondContact O-CB 3.19Å; F32-D35 PolarHBondContact O-N 3.21Å; D35-A37 PolarHBondContact O-N 3.45Å; D35-K38 PolarHBondContact O-N 3.37Å; D35-V39 WeakPolarHBondContact O-CG2 3.24Å; D35-V39 PolarHBondContact O-N 3.4Å; D35-V39 VanDerWaalsContact O-N 3.1Å; D35-K138 IonicContact OD2-NZ 2.74Å; D35-K138 PolarHBondContact OD2-NZ 2.92Å; D35-R277 WeakPolarHBondContact OD1-CD 3.5Å; D35-R277 WeakPolarHBondContact OD1-CG 3.43Å; D35-R277 IonicContact OD1-CZ 3.69Å; D35-R277 IonicContact OD1-NE 3.82Å; D35-R277 IonicContact OD1-NH1 3.07Å; D35-R277 PolarHBondContact OD1-NH1 3.43Å; D35-R277 IonicContact OD2-NH1 2.78Å
36T68.8Low68.7Low2 Ų229.3 Ų29.31%0.01216%0.161CC..Hα-helixtrans-61.4-44.5178.6-60.90000111.3F32 L34 K38 V39 R40 L65 L74F32-T36 PolarHBondContact O-N 3Å; F32-T36 PolarHBondContact O-OG1 2.87Å; L34-T36 VanDerWaalsContact C-N 3.35Å; T36-K38 PolarHBondContact O-N 2.91Å; T36-V39 PolarHBondContact O-N 3.39Å; T36-R40 WeakPolarHBondContact O-CG 3.37Å; T36-R40 PolarHBondContact O-N 3Å; T36-R40 VanDerWaalsContact O-N 3.07Å; T36-L65 HydrophobicContact CG2-CD2 3.86Å; T36-L74 PolarHBondContact OG1-O 3.38Å
37A67.3Low67.1Low0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-62.8-40.2177.700000113P33 L34 D35 R40 L41 V58 T61 I62P33-A37 WeakPolarHBondContact O-CB 3.1Å; P33-A37 PolarHBondContact O-N 2.66Å; L34-A37 PolarHBondContact O-N 2.84Å; D35-A37 PolarHBondContact O-N 3.45Å; A37-R40 PolarHBondContact O-N 3.02Å; A37-L41 WeakPolarHBondContact O-CG 3.25Å; A37-L41 PolarHBondContact O-N 3.41Å; A37-V58 HydrophobicContact CB-CG1 4.1Å; A37-T61 HydrophobicContact CB-CG2 4.26Å; A37-I62 HydrophobicContact CB-CD1 4.21Å; A37-I62 HydrophobicContact CB-CG1 3.72Å
38K69.1Low65.5Low23 Ų2339.2 Ų39.210%0.121%0.207CC..Hα-helixtrans-60.5-50.1176174.7-179.8164.6173.30111.2L34 D35 T36 R40 L41 Q42 S274L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 PolarHBondContact O-N 2.74Å; D35-K38 PolarHBondContact O-N 3.37Å; T36-K38 PolarHBondContact O-N 2.91Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.1Å; K38-L41 PolarHBondContact O-N 2.94Å; K38-Q42 WeakPolarHBondContact O-CG 3.46Å; K38-Q42 PolarHBondContact O-N 2.84Å; K38-S274 WeakPolarHBondContact CE-OG 3.15Å; K38-S274 PolarHBondContact NZ-OG 3.43Å
39V65.6Low63.9Low16 Ų1645.2 Ų45.210%0.09724%0.244CC..Hα-helixtrans-60.5-43.3-179.6172.80000110.6D35 T36 L41 Q42 I43 Q142 A143D35-V39 WeakPolarHBondContact O-CG2 3.24Å; D35-V39 PolarHBondContact O-N 3.4Å; D35-V39 VanDerWaalsContact O-N 3.1Å; T36-V39 PolarHBondContact O-N 3.39Å; V39-L41 PolarHBondContact O-N 3.32Å; V39-Q42 PolarHBondContact O-N 3.34Å; V39-I43 HydrophobicContact CG1-CD1 3.64Å; V39-I43 WeakPolarHBondContact O-CD1 3.47Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 3.15Å; V39-I43 VanDerWaalsContact O-N 3.11Å; V39-Q142 HydrophobicContact CB-CB 4.25Å; V39-Q142 HydrophobicContact CG1-CB 4.03Å; V39-Q142 HydrophobicContact CG2-CB 4.32Å; V39-A143 HydrophobicContact CG1-CB 4.25Å
40R67.3Low61.8Low16 Ų1648.5 Ų48.56%0.0627%0.27CS..Hα-helixtrans-60-45176.4-69.3-70.5-162.8-143-0.2113.4T36 A37 K38 Q42 I43 Q44 T61 E69 Q142 A143 Q144 S145T36-R40 WeakPolarHBondContact O-CG 3.37Å; T36-R40 PolarHBondContact O-N 3Å; T36-R40 VanDerWaalsContact O-N 3.07Å; A37-R40 PolarHBondContact O-N 3.02Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.1Å; R40-Q42 VanDerWaalsContact C-N 3.34Å; R40-I43 PolarHBondContact O-N 3.43Å; R40-Q44 PolarHBondContact O-N 3Å; R40-Q44 VanDerWaalsContact O-N 3.13Å; R40-T61 HydrophobicContact CB-CG2 4Å; R40-E69 IonicContact CZ-OE2 3.3Å; R40-E69 IonicContact NH2-OE1 2.67Å; R40-E69 IonicContact NH2-OE2 3.39Å; R40-E69 PolarHBondContact NH2-OE2 3.11Å; R40-Q142 PolarHBondContact NH1-O 3.31Å; R40-A143 PolarHBondContact NH1-O 2.88Å; R40-Q144 VanDerWaalsContact CZ-O 3.3Å; R40-Q144 PolarHBondContact NH1-O 3.4Å; R40-Q144 PolarHBondContact NH2-O 2.89Å; R40-S145 VanDerWaalsContact NH1-CA 3.25Å
41L66.1Low59.8Low39 Ų3948.1 Ų48.120%0.20428%0.275CS..Hα-helixtrans-64.8-38.7178.5-79.7167.4000112A37 K38 V39 I43 Q44 V58 T61A37-L41 WeakPolarHBondContact O-CG 3.25Å; A37-L41 PolarHBondContact O-N 3.41Å; K38-L41 PolarHBondContact O-N 2.94Å; V39-L41 PolarHBondContact O-N 3.32Å; L41-I43 VanDerWaalsContact C-N 3.3Å; L41-I43 PolarHBondContact O-N 3.36Å; L41-Q44 PolarHBondContact O-N 2.9Å; L41-V58 HydrophobicContact CD1-CG2 4.14Å; L41-T61 WeakPolarHBondContact CD2-OG1 3.41Å; L41-T61 HydrophobicContact CG-CG2 4.42Å; L41-T61 WeakPolarHBondContact CG-OG1 3.33Å
42Q60.6Low58.2Low19 Ų1952.3 Ų52.39%0.08931%0.311CS..Hα-helixtrans-66.4-33.2177.6-72.7177.4-38.500112.2K38 V39 R40K38-Q42 WeakPolarHBondContact O-CG 3.46Å; K38-Q42 PolarHBondContact O-N 2.84Å; V39-Q42 PolarHBondContact O-N 3.34Å; R40-Q42 VanDerWaalsContact C-N 3.34Å
43I62.7Low57Low35 Ų3558.6 Ų58.618%0.17934%0.343CS..Hα-helixtrans-79.1-24.3179.1-64.5166.5000112.7V39 R40 L41 G45 E46 A143 N242V39-I43 HydrophobicContact CG1-CD1 3.64Å; V39-I43 WeakPolarHBondContact O-CD1 3.47Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 3.15Å; V39-I43 VanDerWaalsContact O-N 3.11Å; R40-I43 PolarHBondContact O-N 3.43Å; L41-I43 VanDerWaalsContact C-N 3.3Å; L41-I43 PolarHBondContact O-N 3.36Å; I43-G45 PolarHBondContact O-N 2.81Å; I43-E46 WeakPolarHBondContact O-CB 3.38Å; I43-E46 PolarHBondContact O-N 2.85Å; I43-A143 VanDerWaalsContact CD1-CA 3.48Å; I43-A143 HydrophobicContact CD1-CB 3.31Å; I43-N242 HydrophobicContact CG1-CB 4.48Å; I43-N242 WeakPolarHBondContact CG1-ND2 3.27Å; I43-N242 VanDerWaalsContact CG2-ND2 3.33Å; I43-N242 WeakPolarHBondContact CG2-ND2 3.48Å
44Q56.1Low56Low59 Ų5962.3 Ų62.328%0.27635%0.354SS..G310 helixtrans-58.9-23.4-179.1-169.6-174.4-25.900113.2R40 L41 E46 Y55R40-Q44 PolarHBondContact O-N 3Å; R40-Q44 VanDerWaalsContact O-N 3.13Å; L41-Q44 PolarHBondContact O-N 2.9Å; Q44-E46 PolarHBondContact O-N 3.07Å; Q44-Y55 HydrophobicContact CG-CD2 4.37Å
45G51.8Low55.1Low40 Ų4061.5 Ų61.541%0.41235%0.348SS..G310 helixtrans-71.6-8.1175.400000115.4I43I43-G45 PolarHBondContact O-N 2.81Å
46E50.7Low54.5Low51 Ų5169.3 Ų69.324%0.23838%0.382CS..G310 helixtrans-96.9-8-170.6-62.5178.6172.300114.8I43 Q44 R239 N242I43-E46 WeakPolarHBondContact O-CB 3.38Å; I43-E46 PolarHBondContact O-N 2.85Å; Q44-E46 PolarHBondContact O-N 3.07Å; E46-R239 WeakPolarHBondContact OE1-CA 3.45Å; E46-N242 PolarHBondContact OE2-ND2 3.02Å
47R45.8Very low54.3Low181 Ų18171.4 Ų71.468%0.68340%0.404SS*.SBendtrans-89.8119.4177.8-81.5-177.8169.1164.8-3.5110.8T49R47-T49 PolarHBondContact O-N 2.74Å
48P41.4Very low54.2Low113 Ų11372.6 Ų72.673%0.73441%0.411SS*.  trans-66.5125.9171.828.3-30.3000108.6
49T44Very low54.1Low131 Ų13177.9 Ų77.980%0.80444%0.44SS*.SBendtrans3392.115050.90000116.3R47R47-T49 PolarHBondContact O-N 2.74Å
50S38Very low54.1Low123 Ų12378.4 Ų78.486%0.8645%0.448SS*.SBendtrans172.419.1149.2-81.20000115.5
51S37.1Very low54.1Low89 Ų8977.6 Ų77.662%0.62245%0.445SS*.SBendtrans-145.7126.8169.5-47.30000109.3
52A39.8Very low54.2Low90 Ų9077.3 Ų77.374%0.74444%0.443SS*.  trans-42.7150.7175.700000112.3R54A52-R54 WeakPolarHBondContact O-CA 3.29Å; A52-R54 PolarHBondContact O-N 2.89Å
53I49.3Very low54.6Low133 Ų13380 Ų8068%0.68246%0.461SS*.  trans-39.2101176.6-60.7167.2000109.5K56I53-K56 HydrophobicContact CG2-CG 4.38Å
54R51.9Low54.8Low102 Ų10280.5 Ų80.539%0.38547%0.466SS..  trans-85.5-29.3-161.9-164.8172.3-168.8126.722.7113.1A52 L147A52-R54 WeakPolarHBondContact O-CA 3.29Å; A52-R54 PolarHBondContact O-N 2.89Å; R54-L147 VanDerWaalsContact NH1-CD2 3.3Å
55Y54.2Low55.4Low22 Ų2277.7 Ų77.79%0.08645%0.453CS..  trans-123.3125.4172.8-52.1-68.5000110.5Q44 T61 T64Q44-Y55 HydrophobicContact CG-CD2 4.37Å; Y55-T61 WeakPolarHBondContact CB-OG1 3.4Å; Y55-T61 HydrophobicContact CD1-CG2 3.78Å; Y55-T61 HydrophobicContact CD2-CG2 4.43Å; Y55-T61 HydrophobicContact CE1-CG2 4.17Å; Y55-T61 HydrophobicContact CG-CG2 3.91Å; Y55-T64 HydrophobicContact CD1-CG2 4.33Å; Y55-T64 HydrophobicContact CE1-CG2 3.9Å
56K56.3Low56.5Low172 Ų17278.3 Ų78.375%0.74845%0.448SS*.  trans-104.397.4173.9-70.6-175178.2-178.70108.7I53 G60I53-K56 HydrophobicContact CG2-CG 4.38Å; K56-G60 WeakPolarHBondContact O-CA 3.46Å
57G64.4Low57.4Low46 Ų4684.1 Ų84.147%0.47447%0.473SS..Hα-helixtrans68.4178.6177.500000114.7T61G57-T61 PolarHBondContact O-N 3.23Å; G57-T61 VanDerWaalsContact O-N 3.11Å; G57-T61 PolarHBondContact O-OG1 2.66Å
58V65.4Low58.4Low24 Ų2479.3 Ų79.315%0.14546%0.463CS..Hα-helixtrans-64.6-48.2-174-176.90000111.5L34 A37 L41 T61 I62 P273L34-V58 HydrophobicContact CD2-CG1 3.68Å; A37-V58 HydrophobicContact CB-CG1 4.1Å; L41-V58 HydrophobicContact CD1-CG2 4.14Å; V58-T61 WeakPolarHBondContact O-CB 3.28Å; V58-T61 PolarHBondContact O-N 3.04Å; V58-I62 HydrophobicContact CG1-CD1 4.01Å; V58-I62 WeakPolarHBondContact O-CG1 3.5Å; V58-I62 PolarHBondContact O-N 3.36Å; V58-P273 HydrophobicContact CG2-CB 3.68Å; V58-P273 HydrophobicContact CG2-CG 3.63Å
59L68.8Low59.6Low135 Ų13575.3 Ų75.371%0.70744%0.435SS*.Hα-helixtrans-67.1-42.3-177.7-64.6175.1000112.3T61 I62 T63L59-T61 VanDerWaalsContact C-N 3.27Å; L59-T61 PolarHBondContact O-N 3.44Å; L59-I62 PolarHBondContact O-N 3.18Å; L59-T63 PolarHBondContact O-N 3.46Å; L59-T63 PolarHBondContact O-OG1 2.72Å; L59-T63 VanDerWaalsContact O-OG1 3.04Å
60G65.1Low60.7Low26 Ų2670.4 Ų70.427%0.26841%0.411SS..Hα-helixtrans-63.1-34.5175.400000112.7K56 T64K56-G60 WeakPolarHBondContact O-CA 3.46Å; G60-T64 VanDerWaalsContact O-CB 3.3Å; G60-T64 WeakPolarHBondContact O-CB 3.47Å; G60-T64 PolarHBondContact O-N 2.94Å; G60-T64 PolarHBondContact O-OG1 3.34Å
61T66.9Low62.2Low0 Ų071.5 Ų71.50%040%0.402CS..Hα-helixtrans-63.9-48.4173.1-48.90000111.1A37 R40 L41 Y55 G57 V58 L59 T64 L65A37-T61 HydrophobicContact CB-CG2 4.26Å; R40-T61 HydrophobicContact CB-CG2 4Å; L41-T61 WeakPolarHBondContact CD2-OG1 3.41Å; L41-T61 HydrophobicContact CG-CG2 4.42Å; L41-T61 WeakPolarHBondContact CG-OG1 3.33Å; Y55-T61 WeakPolarHBondContact CB-OG1 3.4Å; Y55-T61 HydrophobicContact CD1-CG2 3.78Å; Y55-T61 HydrophobicContact CD2-CG2 4.43Å; Y55-T61 HydrophobicContact CE1-CG2 4.17Å; Y55-T61 HydrophobicContact CG-CG2 3.91Å; G57-T61 PolarHBondContact O-N 3.23Å; G57-T61 VanDerWaalsContact O-N 3.11Å; G57-T61 PolarHBondContact O-OG1 2.66Å; V58-T61 WeakPolarHBondContact O-CB 3.28Å; V58-T61 PolarHBondContact O-N 3.04Å; L59-T61 VanDerWaalsContact C-N 3.27Å; L59-T61 PolarHBondContact O-N 3.44Å; T61-T64 PolarHBondContact O-N 2.87Å; T61-L65 VanDerWaalsContact O-CB 3.22Å; T61-L65 WeakPolarHBondContact O-CB 3.41Å; T61-L65 PolarHBondContact O-N 3.24Å
62I67.1Low63.6Low33 Ų3375 Ų7517%0.16941%0.411CS..Hα-helixtrans-61.6-48.9-179.9-68168.1000110.7L34 A37 V58 L59 T64 L65 V66 L74L34-I62 HydrophobicContact CD2-CD1 3.99Å; A37-I62 HydrophobicContact CB-CD1 4.21Å; A37-I62 HydrophobicContact CB-CG1 3.72Å; V58-I62 HydrophobicContact CG1-CD1 4.01Å; V58-I62 WeakPolarHBondContact O-CG1 3.5Å; V58-I62 PolarHBondContact O-N 3.36Å; L59-I62 PolarHBondContact O-N 3.18Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.43Å; I62-L65 PolarHBondContact O-N 3Å; I62-V66 HydrophobicContact CG2-CG2 4.43Å; I62-V66 WeakPolarHBondContact O-CG2 3.21Å; I62-V66 PolarHBondContact O-N 3.39Å; I62-L74 HydrophobicContact CG2-CD2 4.14Å
63T69.9Low64.9Low74 Ų7475.1 Ų75.145%0.45439%0.394SS..Hα-helixtrans-62.8-41-180-520000111.8L59 K67L59-T63 PolarHBondContact O-N 3.46Å; L59-T63 PolarHBondContact O-OG1 2.72Å; L59-T63 VanDerWaalsContact O-OG1 3.04Å; T63-K67 HydrophobicContact CG2-CD 4.3Å; T63-K67 WeakPolarHBondContact O-CB 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.23Å; T63-K67 PolarHBondContact O-N 2.61Å; T63-K67 VanDerWaalsContact O-N 3.12Å
64T67.9Low65.7Low47 Ų4769.2 Ų69.229%0.28836%0.364SS..Hα-helixtrans-64-44.7176.2-550000110.2Y55 G60 T61 I62 V66 K67 T68Y55-T64 HydrophobicContact CD1-CG2 4.33Å; Y55-T64 HydrophobicContact CE1-CG2 3.9Å; G60-T64 VanDerWaalsContact O-CB 3.3Å; G60-T64 WeakPolarHBondContact O-CB 3.47Å; G60-T64 PolarHBondContact O-N 2.94Å; G60-T64 PolarHBondContact O-OG1 3.34Å; T61-T64 PolarHBondContact O-N 2.87Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.43Å; T64-V66 PolarHBondContact O-N 3.31Å; T64-K67 PolarHBondContact O-N 3.06Å; T64-T68 HydrophobicContact CG2-CG2 4.1Å; T64-T68 WeakPolarHBondContact O-CB 3.5Å; T64-T68 WeakPolarHBondContact O-CG2 3.33Å; T64-T68 PolarHBondContact O-N 2.82Å; T64-T68 PolarHBondContact O-OG1 2.9Å
65L68.6Low66.6Low0 Ų068.7 Ų68.70%036%0.363CS..Hα-helixtrans-63.2-43.7-178.9-164.870.8000112.4T36 T61 I62 K67 T68 E69 G70 L74T36-L65 HydrophobicContact CG2-CD2 3.86Å; T61-L65 VanDerWaalsContact O-CB 3.22Å; T61-L65 WeakPolarHBondContact O-CB 3.41Å; T61-L65 PolarHBondContact O-N 3.24Å; I62-L65 PolarHBondContact O-N 3Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.08Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-E69 HydrophobicContact CD1-CB 4.16Å; L65-E69 VanDerWaalsContact CD1-CD 3.5Å; L65-E69 HydrophobicContact CD1-CG 3.98Å; L65-E69 VanDerWaalsContact CD1-OE2 3.3Å; L65-E69 WeakPolarHBondContact CD1-OE2 3.43Å; L65-E69 WeakPolarHBondContact O-CA 3.05Å; L65-E69 PolarHBondContact O-N 2.91Å; L65-G70 PolarHBondContact O-N 2.99Å; L65-L74 HydrophobicContact CD2-CD2 4.28Å; L65-L74 HydrophobicContact CD2-CG 3.87Å
66V73.9Confident67.1Low52 Ų5269.6 Ų69.632%0.31537%0.372SS..Hα-helixtrans-60.6-42.9174.9171.50000110.7I62 T64 G70 Q71 L74I62-V66 HydrophobicContact CG2-CG2 4.43Å; I62-V66 WeakPolarHBondContact O-CG2 3.21Å; I62-V66 PolarHBondContact O-N 3.39Å; T64-V66 PolarHBondContact O-N 3.31Å; V66-G70 WeakPolarHBondContact O-CA 3.37Å; V66-G70 PolarHBondContact O-N 3.5Å; V66-Q71 HydrophobicContact CG1-CG 3.86Å; V66-L74 HydrophobicContact CG2-CD1 3.58Å; V66-L74 HydrophobicContact CG2-CD2 4.43Å
67K70.2Confident67.7Low174 Ų17461.6 Ų61.676%0.75734%0.339SS*.Hα-helixtrans-74.1-32-178.7-72.9-177.4178-174.30113.7T63 T64 L65T63-K67 HydrophobicContact CG2-CD 4.3Å; T63-K67 WeakPolarHBondContact O-CB 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.23Å; T63-K67 PolarHBondContact O-N 2.61Å; T63-K67 VanDerWaalsContact O-N 3.12Å; T64-K67 PolarHBondContact O-N 3.06Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.08Å
68T67.4Low68.3Low80 Ų8060.9 Ų60.949%0.49132%0.324SS..Hα-helixtrans-101.2-34.5-174.360.10000114.6T64 L65T64-T68 HydrophobicContact CG2-CG2 4.1Å; T64-T68 WeakPolarHBondContact O-CB 3.5Å; T64-T68 WeakPolarHBondContact O-CG2 3.33Å; T64-T68 PolarHBondContact O-N 2.82Å; T64-T68 PolarHBondContact O-OG1 2.9Å; L65-T68 PolarHBondContact O-N 3.2Å
69E66.3Low68.9Low28 Ų2863.5 Ų63.513%0.13134%0.341CS..Hα-helixtrans-114.4-14.2-174.1-60.9-169179.200113.2R40 L65 K73 S145 H146R40-E69 IonicContact CZ-OE2 3.3Å; R40-E69 IonicContact NH2-OE1 2.67Å; R40-E69 IonicContact NH2-OE2 3.39Å; R40-E69 PolarHBondContact NH2-OE2 3.11Å; L65-E69 HydrophobicContact CD1-CB 4.16Å; L65-E69 VanDerWaalsContact CD1-CD 3.5Å; L65-E69 HydrophobicContact CD1-CG 3.98Å; L65-E69 VanDerWaalsContact CD1-OE2 3.3Å; L65-E69 WeakPolarHBondContact CD1-OE2 3.43Å; L65-E69 WeakPolarHBondContact O-CA 3.05Å; L65-E69 PolarHBondContact O-N 2.91Å; E69-K73 HydrophobicContact CB-CB 4.22Å; E69-K73 HydrophobicContact CB-CG 4.42Å; E69-K73 WeakPolarHBondContact O-CG 2.96Å; E69-S145 PolarHBondContact OE1-OG 2.94Å; E69-H146 PolarHBondContact OE1-N 3.2Å
70G66Low69.1Low29 Ų2957 Ų5730%0.29931%0.308SS..  trans88.5154.7178.600000114.6L65 V66 M72 K73L65-G70 PolarHBondContact O-N 2.99Å; V66-G70 WeakPolarHBondContact O-CA 3.37Å; V66-G70 PolarHBondContact O-N 3.5Å; G70-M72 VanDerWaalsContact C-N 3.34Å; G70-M72 PolarHBondContact O-N 3.37Å; G70-K73 PolarHBondContact O-N 3.3Å; G70-K73 VanDerWaalsContact O-N 3.15Å
71Q69.4Low69.5Low145 Ų14555.9 Ų55.968%0.67830%0.295SS*.G310 helixtrans-60.6-36.9-171.8-67.1176.8-16.100113.8V66 K73 L74V66-Q71 HydrophobicContact CG1-CG 3.86Å; Q71-K73 PolarHBondContact O-N 3.03Å; Q71-L74 WeakPolarHBondContact O-CD1 3.28Å; Q71-L74 PolarHBondContact O-N 3.37Å
72M66.2Low70.1Confident163 Ų16358.1 Ų58.180%0.80331%0.307SS*.G310 helixtrans-67.7-21.1-179.4-66.5-61.7-84.600113.3G70 L74 Y75G70-M72 VanDerWaalsContact C-N 3.34Å; G70-M72 PolarHBondContact O-N 3.37Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-Y75 PolarHBondContact O-N 3.18Å
73K68.1Low70.7Confident93 Ų9360.3 Ų60.340%0.40432%0.317SS..G310 helixtrans-79.2-17.1179.4-65.4-59.8-172.4-177.60113.1E69 G70 Q71 Y75 S76E69-K73 HydrophobicContact CB-CB 4.22Å; E69-K73 HydrophobicContact CB-CG 4.42Å; E69-K73 WeakPolarHBondContact O-CG 2.96Å; G70-K73 PolarHBondContact O-N 3.3Å; G70-K73 VanDerWaalsContact O-N 3.15Å; Q71-K73 PolarHBondContact O-N 3.03Å; K73-Y75 PolarHBondContact O-N 3.07Å; K73-S76 WeakPolarHBondContact O-CB 3.3Å; K73-S76 PolarHBondContact O-N 3.37Å
74L66.3Low71Confident9 Ų959.5 Ų59.55%0.04731%0.305CS..G310 helixtrans-60.6-31170.1-75.6100.7000111.8F32 P33 T36 I62 L65 V66 Q71 M72 S76F32-L74 WeakPolarHBondContact CD1-O 3.29Å; F32-L74 WeakPolarHBondContact CE1-O 3.25Å; P33-L74 HydrophobicContact CB-CD2 3.71Å; P33-L74 HydrophobicContact CG-CD2 4.41Å; T36-L74 PolarHBondContact OG1-O 3.38Å; I62-L74 HydrophobicContact CG2-CD2 4.14Å; L65-L74 HydrophobicContact CD2-CD2 4.28Å; L65-L74 HydrophobicContact CD2-CG 3.87Å; V66-L74 HydrophobicContact CG2-CD1 3.58Å; V66-L74 HydrophobicContact CG2-CD2 4.43Å; Q71-L74 WeakPolarHBondContact O-CD1 3.28Å; Q71-L74 PolarHBondContact O-N 3.37Å; M72-L74 VanDerWaalsContact C-N 3.34Å; L74-S76 VanDerWaalsContact C-N 3.35Å
75Y69.6Low71.3Confident91 Ų9158.3 Ų58.336%0.35730%0.296SS..G310 helixtrans-91.810.7178-61.9-80.5000113.7V29 F32 M72 K73 G77 L78V29-Y75 HydrophobicContact CG1-CE1 4.44Å; V29-Y75 WeakPolarHBondContact O-CE1 3.25Å; F32-Y75 HydrophobicContact CB-CD1 4.12Å; F32-Y75 HydrophobicContact CB-CE1 4.2Å; F32-Y75 HydrophobicContact CD1-CD1 4.22Å; F32-Y75 HydrophobicContact CG-CD1 4.4Å; M72-Y75 PolarHBondContact O-N 3.18Å; K73-Y75 PolarHBondContact O-N 3.07Å; Y75-G77 PolarHBondContact O-N 3.16Å; Y75-G77 VanDerWaalsContact O-N 3.07Å; Y75-L78 HydrophobicContact CD1-CB 4.49Å; Y75-L78 HydrophobicContact CD1-CD2 3.9Å; Y75-L78 VanDerWaalsContact O-CB 3.23Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.28Å
76S65.9Low71.7Confident40 Ų4063 Ų6328%0.2832%0.321SS..THydrogen-bonded Turntrans-64.4110.5173.7-1750000109.8K73 L74K73-S76 WeakPolarHBondContact O-CB 3.3Å; K73-S76 PolarHBondContact O-N 3.37Å; L74-S76 VanDerWaalsContact C-N 3.35Å
77G68.9Low71.8Confident5 Ų563 Ų635%0.05232%0.323CS..THydrogen-bonded Turntrans103-3-173.500000114.5Y75 P79 A80 G81Y75-G77 PolarHBondContact O-N 3.16Å; Y75-G77 VanDerWaalsContact O-N 3.07Å; G77-P79 VanDerWaalsContact C-CD 3.5Å; G77-P79 VanDerWaalsContact C-N 3.34Å; G77-A80 WeakPolarHBondContact O-CB 3.46Å; G77-A80 PolarHBondContact O-N 2.97Å; G77-A80 VanDerWaalsContact O-N 3.09Å; G77-G81 PolarHBondContact O-N 3.47Å
78L76.6Confident71.6Confident31 Ų3157.5 Ų57.516%0.16231%0.307CS..Hα-helixtrans-55.1-43.8175.1-18072.3000112.1V29 F32 Y75 A80 G81 L82V29-L78 HydrophobicContact CG2-CD1 4.02Å; V29-L78 HydrophobicContact CG2-CD2 4.39Å; F32-L78 HydrophobicContact CB-CD1 4.22Å; F32-L78 HydrophobicContact CD1-CB 4.32Å; F32-L78 HydrophobicContact CD2-CB 4.31Å; F32-L78 HydrophobicContact CD2-CD1 3.5Å; F32-L78 VanDerWaalsContact CD2-CD1 3.5Å; F32-L78 HydrophobicContact CE1-CB 4.17Å; F32-L78 HydrophobicContact CE2-CB 4.16Å; F32-L78 HydrophobicContact CE2-CD1 4.02Å; F32-L78 HydrophobicContact CG-CB 4.4Å; F32-L78 HydrophobicContact CG-CD1 3.8Å; F32-L78 VanDerWaalsContact CZ-CA 3.44Å; F32-L78 HydrophobicContact CZ-CB 4.11Å; Y75-L78 HydrophobicContact CD1-CB 4.49Å; Y75-L78 HydrophobicContact CD1-CD2 3.9Å; Y75-L78 VanDerWaalsContact O-CB 3.23Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.28Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.38Å; L78-G81 WeakPolarHBondContact O-CA 3.45Å; L78-G81 PolarHBondContact O-N 3Å; L78-L82 HydrophobicContact CD1-CD1 4.45Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CD2-CD1 4.45Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 HydrophobicContact CG-CG 4.28Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.5Å
79P77.5Confident71.8Confident78 Ų7855.2 Ų55.251%0.50629%0.292SS..Hα-helixtrans-61.2-35.9177-23.634.7000113.1G77 Q83G77-P79 VanDerWaalsContact C-CD 3.5Å; G77-P79 VanDerWaalsContact C-N 3.34Å; P79-Q83 VanDerWaalsContact O-CB 3.23Å; P79-Q83 WeakPolarHBondContact O-CB 3.19Å; P79-Q83 PolarHBondContact O-N 3.47Å
80A73.4Confident72Confident0 Ų057.3 Ų57.30%031%0.31CS..Hα-helixtrans-69.2-38.2174.900000111.4G77 L78 R84 T134 V137 K138 L141 T157G77-A80 WeakPolarHBondContact O-CB 3.46Å; G77-A80 PolarHBondContact O-N 2.97Å; G77-A80 VanDerWaalsContact O-N 3.09Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.38Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3Å; A80-T134 WeakPolarHBondContact O-CG2 3.48Å; A80-V137 HydrophobicContact CB-CG1 4.34Å; A80-K138 HydrophobicContact CB-CB 4.01Å; A80-L141 HydrophobicContact CB-CD1 4.44Å; A80-T157 HydrophobicContact CB-CG2 3.82Å
81G73.5Confident72.2Confident1 Ų157.8 Ų57.81%0.0131%0.306CS..Hα-helixtrans-62.7-46.8174.100000113.1G77 L78 R84 Q85G77-G81 PolarHBondContact O-N 3.47Å; L78-G81 WeakPolarHBondContact O-CA 3.45Å; L78-G81 PolarHBondContact O-N 3Å; G81-R84 WeakPolarHBondContact O-CB 3.37Å; G81-R84 PolarHBondContact O-N 3.08Å; G81-Q85 PolarHBondContact O-N 2.95Å
82L79.2Confident71.9Confident47 Ų4759.1 Ų59.125%0.24630%0.304CS..Hα-helixtrans-65-43.6176.2-68.9175.7000111.6C25 V29 L78 R84 Q85 I86C25-L82 HydrophobicContact CB-CD2 4Å; V29-L82 HydrophobicContact CG2-CD2 4.31Å; L78-L82 HydrophobicContact CD1-CD1 4.45Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CD2-CD1 4.45Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 HydrophobicContact CG-CG 4.28Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.5Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.16Å; L82-Q85 PolarHBondContact O-N 3.04Å; L82-Q85 VanDerWaalsContact O-N 3.11Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 2.91Å
83Q79.9Confident72.1Confident80 Ų8055 Ų5537%0.37429%0.285SS..Hα-helixtrans-56.8-44.4174.9-178.6178.9-9.600111.2P79 Q85 I86 S87 T134P79-Q83 VanDerWaalsContact O-CB 3.23Å; P79-Q83 WeakPolarHBondContact O-CB 3.19Å; P79-Q83 PolarHBondContact O-N 3.47Å; Q83-Q85 PolarHBondContact O-N 2.93Å; Q83-I86 PolarHBondContact O-N 3.34Å; Q83-S87 WeakPolarHBondContact O-CB 3.49Å; Q83-S87 PolarHBondContact O-N 3.49Å; Q83-S87 PolarHBondContact O-OG 3.43Å; Q83-T134 HydrophobicContact CB-CG2 4.23Å; Q83-T134 HydrophobicContact CG-CG2 4.23Å
84R76.4Confident71.9Confident56 Ų5652.7 Ų52.721%0.21129%0.288CS..Hα-helixtrans-60.3-44.9175.3179.7-158.370.877.81.7111.7D28 A80 G81 L82 S87 S88 T134 E135D28-R84 IonicContact OD2-NH2 3.59Å; D28-R84 PolarHBondContact OD2-NH2 3.41Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3Å; G81-R84 WeakPolarHBondContact O-CB 3.37Å; G81-R84 PolarHBondContact O-N 3.08Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.16Å; R84-S87 PolarHBondContact O-N 3.47Å; R84-S88 VanDerWaalsContact O-CB 3.24Å; R84-S88 WeakPolarHBondContact O-CB 3.3Å; R84-S88 PolarHBondContact O-N 3.06Å; R84-T134 HydrophobicContact CB-CG2 3.74Å; R84-E135 WeakPolarHBondContact CD-OE1 3.4Å; R84-E135 IonicContact NE-OE1 3.38Å
85Q73.2Confident71.9Confident22 Ų2255.5 Ų55.510%0.10330%0.302CS..Hα-helixtrans-65.5-41.8-178.6-166.461.324.600111.4A24 G81 L82 Q83 S88 T89A24-Q85 HydrophobicContact CB-CG 4.13Å; G81-Q85 PolarHBondContact O-N 2.95Å; L82-Q85 PolarHBondContact O-N 3.04Å; L82-Q85 VanDerWaalsContact O-N 3.11Å; Q83-Q85 PolarHBondContact O-N 2.93Å; Q85-S88 PolarHBondContact O-N 3.21Å; Q85-T89 WeakPolarHBondContact O-CB 3.42Å; Q85-T89 PolarHBondContact O-N 3.43Å; Q85-T89 PolarHBondContact O-OG1 2.98Å
86I77.6Confident71.4Confident99 Ų9957.3 Ų57.351%0.50831%0.31SS..Hα-helixtrans-62.7-52.3174.5-66.2165.5000109.9L82 Q83 S88 T89 S90L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 2.91Å; Q83-I86 PolarHBondContact O-N 3.34Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.37Å; I86-T89 PolarHBondContact O-N 2.87Å; I86-T89 VanDerWaalsContact O-N 3.12Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.36Å; I86-S90 PolarHBondContact O-OG 3.49Å; I86-S90 VanDerWaalsContact O-OG 3.09Å
87S75.3Confident71.3Confident53 Ų5359.2 Ų59.237%0.37132%0.317SS..Hα-helixtrans-58.6-42178.5-62.90000112.3Q83 R84 L91Q83-S87 WeakPolarHBondContact O-CB 3.49Å; Q83-S87 PolarHBondContact O-N 3.49Å; Q83-S87 PolarHBondContact O-OG 3.43Å; R84-S87 PolarHBondContact O-N 3.47Å; S87-L91 VanDerWaalsContact O-CB 3.26Å; S87-L91 WeakPolarHBondContact O-CB 3.5Å; S87-L91 PolarHBondContact O-N 3.47Å
88S67.2Low71.1Confident58 Ų5862.9 Ų62.941%0.40634%0.338SS..Hα-helixtrans-66.3-37.6177.5-171.60000112.4R84 Q85 I86 R92R84-S88 VanDerWaalsContact O-CB 3.24Å; R84-S88 WeakPolarHBondContact O-CB 3.3Å; R84-S88 PolarHBondContact O-N 3.06Å; Q85-S88 PolarHBondContact O-N 3.21Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.37Å; S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 2.92Å
89T71Confident70.4Confident31 Ų3163 Ų6319%0.1934%0.34CS..Hα-helixtrans-71.5-44.5178.8-55.40000110.4Q85 I86 L91 R92 I93Q85-T89 WeakPolarHBondContact O-CB 3.42Å; Q85-T89 PolarHBondContact O-N 3.43Å; Q85-T89 PolarHBondContact O-OG1 2.98Å; I86-T89 PolarHBondContact O-N 2.87Å; I86-T89 VanDerWaalsContact O-N 3.12Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.23Å; T89-R92 PolarHBondContact O-N 3.06Å; T89-I93 HydrophobicContact CG2-CD1 3.9Å; T89-I93 WeakPolarHBondContact O-CG1 3.43Å; T89-I93 PolarHBondContact O-N 2.88Å
90S71.1Confident69.4Low72 Ų7263.6 Ų63.650%0.50334%0.336SS..Hα-helixtrans-60.7-42.3174.3-59.60000112.1I86 R92 I93 G94I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.36Å; I86-S90 PolarHBondContact O-OG 3.49Å; I86-S90 VanDerWaalsContact O-OG 3.09Å; S90-R92 VanDerWaalsContact C-N 3.34Å; S90-I93 PolarHBondContact O-N 3.38Å; S90-G94 PolarHBondContact O-N 3.41Å
91L69.9Low68.9Low40 Ų4070 Ų7021%0.20937%0.366CS..Hα-helixtrans-64.1-41.4176.6-156.180.4000111.1S87 T89 L95 A127 I130S87-L91 VanDerWaalsContact O-CB 3.26Å; S87-L91 WeakPolarHBondContact O-CB 3.5Å; S87-L91 PolarHBondContact O-N 3.47Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.23Å; L91-L95 HydrophobicContact CD1-CD1 3.12Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact O-CB 3.31Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 PolarHBondContact O-N 3.46Å; L91-A127 HydrophobicContact CD2-CB 3.89Å; L91-I130 HydrophobicContact CD1-CD1 3.72Å; L91-I130 HydrophobicContact CD1-CG2 4.32Å; L91-I130 HydrophobicContact CD2-CD1 4.17Å
92R64.1Low68.4Low172 Ų17278.2 Ų78.265%0.64940%0.402SS*.Hα-helixtrans-67.3-38.3176.8-174.1177.7-89.5-177.4-8.5111.8S88 T89 S90 Y96S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 2.92Å; T89-R92 PolarHBondContact O-N 3.06Å; S90-R92 VanDerWaalsContact C-N 3.34Å; R92-Y96 WeakPolarHBondContact O-CB 3.29Å; R92-Y96 PolarHBondContact O-N 3.41Å
93I68.6Low67.3Low76 Ų7679.9 Ų79.939%0.3941%0.411SS..Hα-helixtrans-69.7-43.4176.6-66.8163.1000110.9L17 T89 S90L17-I93 HydrophobicContact CB-CD1 4.25Å; L17-I93 HydrophobicContact CB-CG1 4.04Å; L17-I93 HydrophobicContact CD1-CG1 3.85Å; L17-I93 HydrophobicContact CG-CG1 4.45Å; T89-I93 HydrophobicContact CG2-CD1 3.9Å; T89-I93 WeakPolarHBondContact O-CG1 3.43Å; T89-I93 PolarHBondContact O-N 2.88Å; S90-I93 PolarHBondContact O-N 3.38Å
94G65.8Low65.9Low46 Ų4680.6 Ų80.647%0.47442%0.421SS..Hα-helixtrans-84.6-36.4-172.400000115.3S90 T98S90-G94 PolarHBondContact O-N 3.41Å; G94-T98 PolarHBondContact O-OG1 3.05Å
95L65.2Low64.8Low67 Ų6782.4 Ų82.435%0.35145%0.447SS..Hα-helixtrans-96.3-18.6-178-84.6124.1000113.8L91 D97 T98 V99L91-L95 HydrophobicContact CD1-CD1 3.12Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact O-CB 3.31Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 PolarHBondContact O-N 3.46Å; L95-D97 PolarHBondContact O-N 2.65Å; L95-T98 PolarHBondContact O-N 3.48Å; L95-V99 HydrophobicContact CB-CG2 4.36Å; L95-V99 HydrophobicContact CD2-CG2 4.29Å; L95-V99 WeakPolarHBondContact O-CB 3.3Å; L95-V99 WeakPolarHBondContact O-CG2 3.26Å; L95-V99 PolarHBondContact O-N 2.88Å
96Y59.6Low63.6Low129 Ų12985.8 Ų85.851%0.50647%0.474SS..Hα-helixtrans-62.2-45.9-177.2-176.6-100.2000111.5R92 V99 Q100R92-Y96 WeakPolarHBondContact O-CB 3.29Å; R92-Y96 PolarHBondContact O-N 3.41Å; Y96-V99 PolarHBondContact O-N 3.05Å; Y96-Q100 WeakPolarHBondContact O-CB 3.42Å; Y96-Q100 PolarHBondContact O-N 3.27Å
97D62.7Low62.1Low81 Ų8187.3 Ų87.343%0.43348%0.477SS..Hα-helixtrans-67-44.6179.2-62.2-18.7000111.2L95 V99 Q100 E101L95-D97 PolarHBondContact O-N 2.65Å; D97-V99 PolarHBondContact O-N 3.11Å; D97-Q100 PolarHBondContact O-N 3.02Å; D97-E101 WeakPolarHBondContact O-CB 3.43Å; D97-E101 VanDerWaalsContact O-CG 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.14Å; D97-E101 PolarHBondContact O-N 3.01Å
98T65.2Low60.8Low82 Ų8294.5 Ų94.550%0.50350%0.504SS..Hα-helixtrans-63.1-39.8177.3-47.30000112.7G94 L95 F102G94-T98 PolarHBondContact O-OG1 3.05Å; L95-T98 PolarHBondContact O-N 3.48Å; T98-F102 WeakPolarHBondContact O-CB 3.15Å; T98-F102 PolarHBondContact O-N 2.9Å
99V62.2Low59.8Low33 Ų3396.8 Ų96.820%0.252%0.516CS..Hα-helixtrans-72.2-41178.1167.30000110.3L95 Y96 D97 F102 L103 T123L95-V99 HydrophobicContact CB-CG2 4.36Å; L95-V99 HydrophobicContact CD2-CG2 4.29Å; L95-V99 WeakPolarHBondContact O-CB 3.3Å; L95-V99 WeakPolarHBondContact O-CG2 3.26Å; L95-V99 PolarHBondContact O-N 2.88Å; Y96-V99 PolarHBondContact O-N 3.05Å; D97-V99 PolarHBondContact O-N 3.11Å; V99-F102 PolarHBondContact O-N 2.89Å; V99-L103 HydrophobicContact CG1-CD1 3.6Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 VanDerWaalsContact O-CB 3.27Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 WeakPolarHBondContact O-CD1 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.11Å; V99-L103 PolarHBondContact O-N 3.42Å; V99-T123 HydrophobicContact CG1-CG2 4.02Å; V99-T123 VanDerWaalsContact CG1-OG1 3.25Å; V99-T123 WeakPolarHBondContact CG1-OG1 3.44Å; V99-T123 HydrophobicContact CG2-CG2 4.4Å
100Q56.2Low58.8Low91 Ų91101.5 Ų101.543%0.42555%0.545SS..Hα-helixtrans-65.9-39.7177.3-174.6172.4-1400111.4Y96 D97 L103 T104Y96-Q100 WeakPolarHBondContact O-CB 3.42Å; Y96-Q100 PolarHBondContact O-N 3.27Å; D97-Q100 PolarHBondContact O-N 3.02Å; Q100-L103 PolarHBondContact O-N 3.45Å; Q100-T104 VanDerWaalsContact O-CB 3.26Å; Q100-T104 WeakPolarHBondContact O-CB 3.43Å; Q100-T104 PolarHBondContact O-N 3Å; Q100-T104 PolarHBondContact O-OG1 3.02Å
101E64Low58Low135 Ų135101.6 Ų101.663%0.63154%0.543SS*.Hα-helixtrans-63.3-46.1172.2-77.4177.1177.800111.5D97 L103 T104 A105D97-E101 WeakPolarHBondContact O-CB 3.43Å; D97-E101 VanDerWaalsContact O-CG 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.14Å; D97-E101 PolarHBondContact O-N 3.01Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.98Å; E101-T104 PolarHBondContact O-N 2.96Å; E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 2.69Å
102F61.9Low57.6Low173 Ų173102.9 Ų102.976%0.75956%0.556SS**Hα-helixtrans-63.8-33.2177.6-156.1-91.1000112.6T98 V99T98-F102 WeakPolarHBondContact O-CB 3.15Å; T98-F102 PolarHBondContact O-N 2.9Å; V99-F102 PolarHBondContact O-N 2.89Å
103L55.3Low57.5Low82 Ų8299.8 Ų99.843%0.42955%0.552SS.*Hα-helixtrans-77.7-35.9177.5-72.6168.2000112.9V99 Q100 E101 A119V99-L103 HydrophobicContact CG1-CD1 3.6Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 VanDerWaalsContact O-CB 3.27Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 WeakPolarHBondContact O-CD1 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.11Å; V99-L103 PolarHBondContact O-N 3.42Å; Q100-L103 PolarHBondContact O-N 3.45Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.98Å; L103-A119 HydrophobicContact CD1-CB 3.75Å; L103-A119 HydrophobicContact CD2-CB 3.42Å; L103-A119 VanDerWaalsContact CD2-CB 3.42Å; L103-A119 HydrophobicContact CG-CB 4.25Å
104T52Low57.4Low95 Ų9598.2 Ų98.258%0.58356%0.555SS**Hα-helixtrans-81.3-33.1-179.4-48.10000111.2Q100 E101 S106 K107Q100-T104 VanDerWaalsContact O-CB 3.26Å; Q100-T104 WeakPolarHBondContact O-CB 3.43Å; Q100-T104 PolarHBondContact O-N 3Å; Q100-T104 PolarHBondContact O-OG1 3.02Å; E101-T104 PolarHBondContact O-N 2.96Å; T104-S106 PolarHBondContact O-N 2.79Å; T104-S106 VanDerWaalsContact O-N 3.09Å; T104-K107 PolarHBondContact O-N 3.36Å
105A52.2Low57.2Low93 Ų9398.2 Ų98.277%0.76955%0.547SS*.THydrogen-bonded Turntrans-62-15.217200000113.2E101E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 2.69Å
106S47.6Very low57.1Low94 Ų94101 Ų10166%0.65756%0.557SS**THydrogen-bonded Turntrans-93-17.9-176.7-147.60000114.8T104T104-S106 PolarHBondContact O-N 2.79Å; T104-S106 VanDerWaalsContact O-N 3.09Å
107K46.1Very low57.5Low131 Ų13197.5 Ų97.557%0.5755%0.546SS*.  trans-153.7119.1178.6-77-169.8176.2173.60115.5T104 T109T104-K107 PolarHBondContact O-N 3.36Å; K107-T109 PolarHBondContact O-N 2.95Å
108E49.3Very low57.7Low204 Ų20499 Ų9995%0.95355%0.554SS**SBendtrans-74.910.5167.7-105.2-165.5161.600114.9
109T44.9Very low57.7Low106 Ų10695.9 Ų95.965%0.6554%0.536SS*.SBendtrans-140.9129.3-175.9-36.10000110.8K107K107-T109 PolarHBondContact O-N 2.95Å
110T50.3Low57.8Low129 Ų12996.1 Ų96.179%0.79155%0.545SS*.  trans-10.2107.5179.552.40000114.5S112T110-S112 PolarHBondContact O-N 3.05Å; T110-S112 VanDerWaalsContact O-N 3.11Å
111P55.1Low58.5Low74 Ų7494.3 Ų94.348%0.48154%0.538SS..  trans-62.3118.2-176.720-30.2000110.5K116P111-K116 HydrophobicContact CB-CG 4.07Å; P111-K116 VanDerWaalsContact CG-CE 3.44Å; P111-K116 HydrophobicContact CG-CG 4.47Å
112S60.8Low58.8Low68 Ų6893.9 Ų93.948%0.47654%0.538SS..  trans-58.6147.417485.10000109.8T110 G114 S115 K116T110-S112 PolarHBondContact O-N 3.05Å; T110-S112 VanDerWaalsContact O-N 3.11Å; S112-G114 PolarHBondContact O-N 3.45Å; S112-G114 VanDerWaalsContact O-N 3.08Å; S112-S115 PolarHBondContact O-N 3.35Å; S112-S115 PolarHBondContact OG-N 3.3Å; S112-S115 PolarHBondContact OG-OG 3.29Å; S112-K116 PolarHBondContact O-N 3.41Å
113L63.4Low59.2Low106 Ų10688.2 Ų88.256%0.55552%0.517SS*.Hα-helixtrans-51.2-36.9-178.8-150.8113.7000111.7K116 I117 L192L113-K116 PolarHBondContact O-N 3.07Å; L113-I117 HydrophobicContact CD2-CD1 3.95Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.27Å; L113-L192 HydrophobicContact CD2-CD2 4.02Å
114G65.8Low59.8Low44 Ų4485.1 Ų85.145%0.45451%0.505SS..Hα-helixtrans-66-38.2175.900000114.4S112 I117 L118S112-G114 PolarHBondContact O-N 3.45Å; S112-G114 VanDerWaalsContact O-N 3.08Å; G114-I117 PolarHBondContact O-N 3.2Å; G114-L118 WeakPolarHBondContact O-CB 3.36Å; G114-L118 PolarHBondContact O-N 3.16Å
115S62Low60.8Low45 Ų4581.5 Ų81.532%0.31549%0.487SS..Hα-helixtrans-67.7-36.8175.5-61.10000111.9S112 A119S112-S115 PolarHBondContact O-N 3.35Å; S112-S115 PolarHBondContact OG-N 3.3Å; S112-S115 PolarHBondContact OG-OG 3.29Å; S115-A119 VanDerWaalsContact O-CB 3.25Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.43Å
116K62.3Low61.9Low126 Ų12680.5 Ų80.555%0.54847%0.471SS..Hα-helixtrans-65.6-42.3174.4-65.2-173.3-178.8-178.20112.1P111 S112 L113 A119 G120P111-K116 HydrophobicContact CB-CG 4.07Å; P111-K116 VanDerWaalsContact CG-CE 3.44Å; P111-K116 HydrophobicContact CG-CG 4.47Å; S112-K116 PolarHBondContact O-N 3.41Å; L113-K116 PolarHBondContact O-N 3.07Å; K116-A119 PolarHBondContact O-N 3.34Å; K116-G120 PolarHBondContact O-N 3.21Å
117I68.3Low63Low56 Ų5678 Ų7829%0.28746%0.456SS..Hα-helixtrans-63.8-47.8176.9-69.4166.1000110.3L113 G114 A119 G120 L121 L192L113-I117 HydrophobicContact CD2-CD1 3.95Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.27Å; G114-I117 PolarHBondContact O-N 3.2Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 3.16Å; I117-G120 PolarHBondContact O-N 2.96Å; I117-L121 HydrophobicContact CG2-CD1 3.94Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.32Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.43Å; I117-L121 PolarHBondContact O-N 2.98Å; I117-L192 HydrophobicContact CD1-CD1 4.31Å; I117-L192 HydrophobicContact CD1-CD2 4.49Å; I117-L192 HydrophobicContact CG1-CD1 3.89Å
118L67Low64.4Low113 Ų11372.7 Ų72.759%0.59243%0.434SS*.Hα-helixtrans-62.5-41.3-179.8-169.967.3000111.7G114 L121 M122G114-L118 WeakPolarHBondContact O-CB 3.36Å; G114-L118 PolarHBondContact O-N 3.16Å; L118-L121 PolarHBondContact O-N 3.39Å; L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 2.99Å
119A64.6Low65.8Low15 Ų1568.3 Ų68.312%0.12441%0.412CS..Hα-helixtrans-60.4-49.6173.600000111.9L103 S115 K116 I117 L121 M122 T123L103-A119 HydrophobicContact CD1-CB 3.75Å; L103-A119 HydrophobicContact CD2-CB 3.42Å; L103-A119 VanDerWaalsContact CD2-CB 3.42Å; L103-A119 HydrophobicContact CG-CB 4.25Å; S115-A119 VanDerWaalsContact O-CB 3.25Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.43Å; K116-A119 PolarHBondContact O-N 3.34Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 3.16Å; A119-L121 VanDerWaalsContact C-N 3.28Å; A119-L121 PolarHBondContact O-N 2.9Å; A119-M122 PolarHBondContact O-N 3.41Å; A119-T123 PolarHBondContact O-N 3.36Å; A119-T123 PolarHBondContact O-OG1 3.43Å
120G65.8Low67.4Low39 Ų3967.4 Ų67.440%0.40240%0.402SS..Hα-helixtrans-59.5-37.6176.900000113.1K116 I117 G124K116-G120 PolarHBondContact O-N 3.21Å; I117-G120 PolarHBondContact O-N 2.96Å; G120-G124 WeakPolarHBondContact O-CA 3.33Å; G120-G124 PolarHBondContact O-N 3.32Å
121L70.3Confident68.6Low52 Ų5262.2 Ų62.227%0.27238%0.375SS..Hα-helixtrans-67.7-41.1175.4-71.7174.2000112.6I117 L118 A119 G125 V185I117-L121 HydrophobicContact CG2-CD1 3.94Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.32Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.43Å; I117-L121 PolarHBondContact O-N 2.98Å; L118-L121 PolarHBondContact O-N 3.39Å; A119-L121 VanDerWaalsContact C-N 3.28Å; A119-L121 PolarHBondContact O-N 2.9Å; L121-G125 PolarHBondContact O-N 3.49Å; L121-V185 HydrophobicContact CD2-CB 3.98Å; L121-V185 HydrophobicContact CD2-CG1 3.97Å; L121-V185 HydrophobicContact CD2-CG2 3.51Å
122M70.8Confident69.8Low127 Ų12758.7 Ų58.763%0.62635%0.352SS*.Hα-helixtrans-67.2-48.3178-72.1-63.1-69.300111.5L118 A119 G125 V126L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 2.99Å; A119-M122 PolarHBondContact O-N 3.41Å; M122-G125 PolarHBondContact O-N 3.38Å; M122-V126 WeakPolarHBondContact O-CG2 3.45Å; M122-V126 PolarHBondContact O-N 3Å
123T68.6Low70.8Confident54 Ų5456.3 Ų56.333%0.33134%0.335SS..Hα-helixtrans-63.4-43.4176.6-49.70000111.4V99 A119 G125 V126 A127V99-T123 HydrophobicContact CG1-CG2 4.02Å; V99-T123 VanDerWaalsContact CG1-OG1 3.25Å; V99-T123 WeakPolarHBondContact CG1-OG1 3.44Å; V99-T123 HydrophobicContact CG2-CG2 4.4Å; A119-T123 PolarHBondContact O-N 3.36Å; A119-T123 PolarHBondContact O-OG1 3.43Å; T123-G125 VanDerWaalsContact C-N 3.32Å; T123-G125 PolarHBondContact O-N 3.21Å; T123-V126 PolarHBondContact O-N 3.28Å; T123-A127 WeakPolarHBondContact O-CB 3.28Å; T123-A127 PolarHBondContact O-N 3.05Å
124G67.9Low71.6Confident17 Ų1751.7 Ų51.718%0.17531%0.311CS..Hα-helixtrans-63-37.1175.200000112.5G120 A127 V128G120-G124 WeakPolarHBondContact O-CA 3.33Å; G120-G124 PolarHBondContact O-N 3.32Å; G124-A127 PolarHBondContact O-N 2.92Å; G124-V128 WeakPolarHBondContact O-CB 3.35Å; G124-V128 VanDerWaalsContact O-CG2 3.23Å; G124-V128 WeakPolarHBondContact O-CG2 3.29Å; G124-V128 PolarHBondContact O-N 3.46Å
125G73.9Confident72Confident19 Ų1951.6 Ų51.620%0.19630%0.299CS..Hα-helixtrans-64.5-46.617600000112.8L121 M122 T123 A127 V128 F129L121-G125 PolarHBondContact O-N 3.49Å; M122-G125 PolarHBondContact O-N 3.38Å; T123-G125 VanDerWaalsContact C-N 3.32Å; T123-G125 PolarHBondContact O-N 3.21Å; G125-A127 VanDerWaalsContact C-N 3.35Å; G125-V128 PolarHBondContact O-N 2.91Å; G125-F129 WeakPolarHBondContact O-CB 3.41Å; G125-F129 PolarHBondContact O-N 3.43Å
126V75.1Confident72.7Confident72 Ų7249.5 Ų49.544%0.43628%0.284SS..Hα-helixtrans-62.3-43.5175.5175.70000110.8M122 T123 V128 F129 I130M122-V126 WeakPolarHBondContact O-CG2 3.45Å; M122-V126 PolarHBondContact O-N 3Å; T123-V126 PolarHBondContact O-N 3.28Å; V126-V128 PolarHBondContact O-N 3.08Å; V126-F129 PolarHBondContact O-N 2.98Å; V126-I130 HydrophobicContact CG1-CD1 3.85Å; V126-I130 WeakPolarHBondContact O-CG1 3.33Å; V126-I130 PolarHBondContact O-N 3.16Å
127A70.8Confident73.5Confident41 Ų4143.5 Ų43.534%0.33926%0.258SS..Hα-helixtrans-61.9-43.4176.600000112.4L91 T123 G124 G125 F129 G131L91-A127 HydrophobicContact CD2-CB 3.89Å; T123-A127 WeakPolarHBondContact O-CB 3.28Å; T123-A127 PolarHBondContact O-N 3.05Å; G124-A127 PolarHBondContact O-N 2.92Å; G125-A127 VanDerWaalsContact C-N 3.35Å; A127-F129 VanDerWaalsContact C-N 3.33Å; A127-F129 PolarHBondContact O-N 3.28Å; A127-G131 PolarHBondContact O-N 3.26Å
128V75.1Confident73.9Confident19 Ų1941.5 Ų41.512%0.11525%0.247CC..Hα-helixtrans-62.9-40175.3164.90000111.1G124 G125 V126 Q132 N180G124-V128 WeakPolarHBondContact O-CB 3.35Å; G124-V128 VanDerWaalsContact O-CG2 3.23Å; G124-V128 WeakPolarHBondContact O-CG2 3.29Å; G124-V128 PolarHBondContact O-N 3.46Å; G125-V128 PolarHBondContact O-N 2.91Å; V126-V128 PolarHBondContact O-N 3.08Å; V128-Q132 WeakPolarHBondContact O-CB 3.3Å; V128-Q132 PolarHBondContact O-N 3.03Å; V128-N180 HydrophobicContact CG1-CB 3.98Å
129F79.4Confident74.1Confident112 Ų11237.1 Ų37.149%0.49123%0.225SC..Hα-helixtrans-66-43.2-179.4-174.3-98.7000112.5G125 V126 A127 W174 T177G125-F129 WeakPolarHBondContact O-CB 3.41Å; G125-F129 PolarHBondContact O-N 3.43Å; V126-F129 PolarHBondContact O-N 2.98Å; A127-F129 VanDerWaalsContact C-N 3.33Å; A127-F129 PolarHBondContact O-N 3.28Å; F129-W174 AromaticContact CD2-CD1 3.73Å; F129-W174 AromaticContact CD2-NE1 3.77Å; F129-W174 AromaticContact CE1-NE1 3.88Å; F129-W174 AromaticContact CE2-CD1 3.54Å; F129-W174 HydrophobicContact CE2-CG 4.38Å; F129-W174 AromaticContact CE2-NE1 3.53Å; F129-W174 AromaticContact CZ-NE1 3.59Å; F129-W174 PolarHBondContact O-NE1 3.49Å; F129-T177 HydrophobicContact CD2-CG2 4.49Å
130I79.3Confident74.6Confident87 Ų8737.5 Ų37.545%0.44622%0.223SC..Hα-helixtrans-71.1-39.1178-64.8170.5000110.9L91 V126 P133L91-I130 HydrophobicContact CD1-CD1 3.72Å; L91-I130 HydrophobicContact CD1-CG2 4.32Å; L91-I130 HydrophobicContact CD2-CD1 4.17Å; V126-I130 HydrophobicContact CG1-CD1 3.85Å; V126-I130 WeakPolarHBondContact O-CG1 3.33Å; V126-I130 PolarHBondContact O-N 3.16Å; I130-P133 WeakPolarHBondContact O-CD 3.41Å
131G74Confident74.9Confident20 Ų2035.9 Ų35.921%0.20621%0.206CC..Hα-helixtrans-79.1-16.2-178.500000115.3A127 T134 E135A127-G131 PolarHBondContact O-N 3.26Å; G131-T134 PolarHBondContact O-N 2.68Å; G131-E135 PolarHBondContact O-N 2.91Å
132Q81.8Confident74.5Confident1 Ų133.7 Ų33.71%0.00519%0.194CC..Hα-helixtrans-57.9-45.1-172.6-164.169.5-11400114.7V128 T134 E135 V136 T177 N180V128-Q132 WeakPolarHBondContact O-CB 3.3Å; V128-Q132 PolarHBondContact O-N 3.03Å; Q132-T134 PolarHBondContact O-N 3.38Å; Q132-E135 WeakPolarHBondContact O-CB 3.37Å; Q132-E135 PolarHBondContact O-N 3.21Å; Q132-E135 VanDerWaalsContact O-N 3.14Å; Q132-V136 HydrophobicContact CG-CG2 4.24Å; Q132-V136 WeakPolarHBondContact O-CG2 3.46Å; Q132-V136 PolarHBondContact O-N 3.03Å; Q132-T177 WeakPolarHBondContact CG-OG1 3.37Å; Q132-N180 VanDerWaalsContact NE2-CB 3.35Å; Q132-N180 PolarHBondContact NE2-ND2 3.47Å
133P81.1Confident74.2Confident18 Ų1828.2 Ų28.212%0.11717%0.169CC..Hα-helixtrans-57.4-39.5-177.4-27.537.8000112.9I130 V137 Y161 L173 W174I130-P133 WeakPolarHBondContact O-CD 3.41Å; P133-V137 WeakPolarHBondContact O-CG2 3.4Å; P133-V137 PolarHBondContact O-N 3.43Å; P133-Y161 HydrophobicContact CB-CE1 4.17Å; P133-L173 WeakPolarHBondContact CA-O 3.26Å; P133-L173 HydrophobicContact CB-CB 4.17Å; P133-L173 HydrophobicContact CB-CD2 4.31Å; P133-L173 HydrophobicContact CG-CB 4.43Å; P133-W174 HydrophobicContact CG-CD2 4.39Å; P133-W174 HydrophobicContact CG-CH2 4.28Å; P133-W174 HydrophobicContact CG-CZ2 3.84Å
134T79.4Confident74Confident9 Ų927.3 Ų27.36%0.05516%0.161CC..Hα-helixtrans-72.3-37.4179.6-47.60000112.3A80 Q83 R84 G131 Q132 V137 K138 Y161A80-T134 WeakPolarHBondContact O-CG2 3.48Å; Q83-T134 HydrophobicContact CB-CG2 4.23Å; Q83-T134 HydrophobicContact CG-CG2 4.23Å; R84-T134 HydrophobicContact CB-CG2 3.74Å; G131-T134 PolarHBondContact O-N 2.68Å; Q132-T134 PolarHBondContact O-N 3.38Å; T134-V137 PolarHBondContact O-N 3.42Å; T134-K138 WeakPolarHBondContact O-CB 3.38Å; T134-K138 PolarHBondContact O-N 3.36Å; T134-Y161 WeakPolarHBondContact CA-OH 3.11Å; T134-Y161 WeakPolarHBondContact CB-OH 3.38Å; T134-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T134-Y161 PolarHBondContact OG1-OH 3.3Å
135E74.2Confident73.3Confident41 Ų4128.6 Ų28.619%0.19217%0.167CC..Hα-helixtrans-62.5-45.3174.5-81.1-72.995.800112.2R84 G131 Q132 V137 K138 V139R84-E135 WeakPolarHBondContact CD-OE1 3.4Å; R84-E135 IonicContact NE-OE1 3.38Å; G131-E135 PolarHBondContact O-N 2.91Å; Q132-E135 WeakPolarHBondContact O-CB 3.37Å; Q132-E135 PolarHBondContact O-N 3.21Å; Q132-E135 VanDerWaalsContact O-N 3.14Å; E135-V137 VanDerWaalsContact C-N 3.33Å; E135-V137 PolarHBondContact O-N 3.33Å; E135-K138 PolarHBondContact O-N 2.97Å; E135-V139 WeakPolarHBondContact O-CG2 3.4Å; E135-V139 PolarHBondContact O-N 3.19Å
136V76.8Confident72.3Confident1 Ų130.6 Ų30.61%0.00617%0.171CC..Hα-helixtrans-60.6-44.4177.9171.50000111Q132 R140 L173 K175Q132-V136 HydrophobicContact CG-CG2 4.24Å; Q132-V136 WeakPolarHBondContact O-CG2 3.46Å; Q132-V136 PolarHBondContact O-N 3.03Å; V136-R140 WeakPolarHBondContact O-CB 3.38Å; V136-R140 VanDerWaalsContact O-CG 3.29Å; V136-R140 WeakPolarHBondContact O-CG 3.35Å; V136-R140 PolarHBondContact O-N 3.06Å; V136-L173 WeakPolarHBondContact CG2-O 3.37Å; V136-K175 VanDerWaalsContact CG2-O 3.27Å; V136-K175 WeakPolarHBondContact CG2-O 3.28Å
137V78.7Confident70.6Confident0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-65.8-43.8177.8171.40000111.7A80 P133 T134 E135 R140 L141 T157 A160 Y161 L173A80-V137 HydrophobicContact CB-CG1 4.34Å; P133-V137 WeakPolarHBondContact O-CG2 3.4Å; P133-V137 PolarHBondContact O-N 3.43Å; T134-V137 PolarHBondContact O-N 3.42Å; E135-V137 VanDerWaalsContact C-N 3.33Å; E135-V137 PolarHBondContact O-N 3.33Å; V137-R140 PolarHBondContact O-N 3.17Å; V137-L141 HydrophobicContact CG1-CD1 3.62Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.28Å; V137-L141 PolarHBondContact O-N 2.95Å; V137-T157 HydrophobicContact CG1-CG2 3.99Å; V137-A160 HydrophobicContact CG1-CB 3.74Å; V137-Y161 HydrophobicContact CB-CE1 4.39Å; V137-Y161 HydrophobicContact CB-CE2 4.38Å; V137-Y161 HydrophobicContact CG1-CD2 4.34Å; V137-Y161 HydrophobicContact CG1-CE2 4.17Å; V137-Y161 HydrophobicContact CG2-CD1 3.66Å; V137-Y161 HydrophobicContact CG2-CD2 4.2Å; V137-Y161 HydrophobicContact CG2-CE1 3.66Å; V137-Y161 HydrophobicContact CG2-CE2 4.21Å; V137-Y161 HydrophobicContact CG2-CG 3.93Å; V137-L173 HydrophobicContact CG2-CD2 4.46Å
138K77.3Confident69.1Low14 Ų1434.4 Ų34.46%0.06118%0.178CC..Hα-helixtrans-56.8-52.8176.2-179.1-173.3172.5-177.90110.9D35 A80 T134 E135 R140 L141 Q142D35-K138 IonicContact OD2-NZ 2.74Å; D35-K138 PolarHBondContact OD2-NZ 2.92Å; A80-K138 HydrophobicContact CB-CB 4.01Å; T134-K138 WeakPolarHBondContact O-CB 3.38Å; T134-K138 PolarHBondContact O-N 3.36Å; E135-K138 PolarHBondContact O-N 2.97Å; K138-R140 PolarHBondContact O-N 3.38Å; K138-L141 PolarHBondContact O-N 3.32Å; K138-Q142 VanDerWaalsContact CE-NE2 3.27Å; K138-Q142 WeakPolarHBondContact O-CG 3.49Å; K138-Q142 PolarHBondContact O-N 2.92Å
139V71Confident67.6Low22 Ų2237.5 Ų37.513%0.13321%0.213CC..Hα-helixtrans-62.5-42.8-177.2172.90000111.1E135 Q142 A143 I241E135-V139 WeakPolarHBondContact O-CG2 3.4Å; E135-V139 PolarHBondContact O-N 3.19Å; V139-Q142 PolarHBondContact O-N 2.67Å; V139-A143 WeakPolarHBondContact O-CB 3.28Å; V139-A143 PolarHBondContact O-N 2.91Å; V139-I241 HydrophobicContact CG1-CG2 4.06Å
140R74.8Confident66.4Low22 Ų2238.7 Ų38.78%0.08322%0.223CC..Hα-helixtrans-67.5-37.2179.3-73177.7177.6-155.13113.2V136 V137 K138 A143 Q144 Y154 E168V136-R140 WeakPolarHBondContact O-CB 3.38Å; V136-R140 VanDerWaalsContact O-CG 3.29Å; V136-R140 WeakPolarHBondContact O-CG 3.35Å; V136-R140 PolarHBondContact O-N 3.06Å; V137-R140 PolarHBondContact O-N 3.17Å; K138-R140 PolarHBondContact O-N 3.38Å; R140-A143 PolarHBondContact O-N 3.48Å; R140-Q144 PolarHBondContact O-N 3.4Å; R140-Y154 HydrophobicContact CB-CE2 4.3Å; R140-E168 IonicContact CZ-OE1 2.64Å; R140-E168 IonicContact CZ-OE2 3.24Å; R140-E168 VanDerWaalsContact NH1-CD 3.32Å; R140-E168 IonicContact NH1-OE1 2.6Å; R140-E168 PolarHBondContact NH1-OE1 3.47Å; R140-E168 IonicContact NH1-OE2 3.85Å; R140-E168 PolarHBondContact NH1-OE2 3.32Å; R140-E168 IonicContact NH2-OE1 3.43Å; R140-E168 PolarHBondContact NH2-OE1 3.14Å; R140-E168 IonicContact NH2-OE2 2.8Å; R140-E168 PolarHBondContact NH2-OE2 3.24Å
141L72.3Confident65.3Low6 Ų643.5 Ų43.53%0.03124%0.241CC..Hα-helixtrans-67.5-38.2174.8-74.5167.9000112.2A80 V137 K138 Y154 A160A80-L141 HydrophobicContact CB-CD1 4.44Å; V137-L141 HydrophobicContact CG1-CD1 3.62Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.28Å; V137-L141 PolarHBondContact O-N 2.95Å; K138-L141 PolarHBondContact O-N 3.32Å; L141-Y154 HydrophobicContact CD2-CG 4.39Å; L141-A160 HydrophobicContact CD1-CB 4.31Å; L141-A160 HydrophobicContact CD2-CB 4.12Å; L141-A160 HydrophobicContact CG-CB 4.21Å
142Q62.7Low64.7Low6 Ų645 Ų453%0.02825%0.247CC..Hα-helixtrans-70.5-32.7174.2-71.7178.6-27.200112F32 V39 R40 K138 V139F32-Q142 HydrophobicContact CZ-CG 4.33Å; V39-Q142 HydrophobicContact CB-CB 4.25Å; V39-Q142 HydrophobicContact CG1-CB 4.03Å; V39-Q142 HydrophobicContact CG2-CB 4.32Å; R40-Q142 PolarHBondContact NH1-O 3.31Å; K138-Q142 VanDerWaalsContact CE-NE2 3.27Å; K138-Q142 WeakPolarHBondContact O-CG 3.49Å; K138-Q142 PolarHBondContact O-N 2.92Å; V139-Q142 PolarHBondContact O-N 2.67Å
143A63.8Low63.8Low12 Ų1252.4 Ų52.410%0.09928%0.275CS..Hα-helixtrans-72.7-25.5179.100000114.3V39 R40 I43 V139 R140 S145 N242V39-A143 HydrophobicContact CG1-CB 4.25Å; R40-A143 PolarHBondContact NH1-O 2.88Å; I43-A143 VanDerWaalsContact CD1-CA 3.48Å; I43-A143 HydrophobicContact CD1-CB 3.31Å; V139-A143 WeakPolarHBondContact O-CB 3.28Å; V139-A143 PolarHBondContact O-N 2.91Å; R140-A143 PolarHBondContact O-N 3.48Å; A143-S145 PolarHBondContact O-N 3.38Å; A143-N242 WeakPolarHBondContact CB-OD1 3.35Å
144Q65Low63Low34 Ų3452.4 Ų52.416%0.15927%0.273CS..  trans-73.1109-174-176.7179-65.900112.6R40 R140 H146 P152 Y154R40-Q144 VanDerWaalsContact CZ-O 3.3Å; R40-Q144 PolarHBondContact NH1-O 3.4Å; R40-Q144 PolarHBondContact NH2-O 2.89Å; R140-Q144 PolarHBondContact O-N 3.4Å; Q144-H146 PolarHBondContact NE2-CE1 2.87Å; Q144-P152 VanDerWaalsContact NE2-CB 3.34Å; Q144-Y154 PolarHBondContact NE2-O 2.91Å
145S53Low62.4Low45 Ų4557.1 Ų57.132%0.31530%0.302SS..  trans-95.4139.5176.6175.90000110.3R40 E69 A143 L147R40-S145 VanDerWaalsContact NH1-CA 3.25Å; E69-S145 PolarHBondContact OE1-OG 2.94Å; A143-S145 PolarHBondContact O-N 3.38Å; S145-L147 VanDerWaalsContact C-N 3.3Å; S145-L147 PolarHBondContact O-N 2.9Å
146H51.9Low62.3Low60 Ų6056.6 Ų56.628%0.27831%0.308SS..  trans-93.824.6-176.4-99.288.1000114.2E69 Q144 H148 P152E69-H146 PolarHBondContact OE1-N 3.2Å; Q144-H146 PolarHBondContact NE2-CE1 2.87Å; H146-H148 PolarHBondContact O-N 3.03Å; H146-P152 WeakPolarHBondContact CE1-CB 3.16Å; H146-P152 WeakPolarHBondContact NE2-CA 3.45Å; H146-P152 WeakPolarHBondContact NE2-CB 3.49Å; H146-P152 WeakPolarHBondContact NE2-CD 3.44Å; H146-P152 WeakPolarHBondContact NE2-CG 3.37Å
147L40.6Very low62.2Low34 Ų3457.6 Ų57.618%0.17831%0.313CS..THydrogen-bonded Turntrans-75117.5-169.1-133.395.9000112.6R54 S145R54-L147 VanDerWaalsContact NH1-CD2 3.3Å; S145-L147 VanDerWaalsContact C-N 3.3Å; S145-L147 PolarHBondContact O-N 2.9Å
148H38.1Very low62.2Low160 Ų16066.6 Ų66.674%0.74135%0.349SS*.THydrogen-bonded Turntrans67.569.2176.7-58.5121.3000116.9H146 I150H146-H148 PolarHBondContact O-N 3.03Å; H148-I150 PolarHBondContact O-N 2.68Å
149G45.3Very low62.3Low83 Ų8368.1 Ų68.186%0.85636%0.358SS*.SBendtrans71.3-1.2153.100000117.3
150I53.1Low62.6Low137 Ų13767.1 Ų67.170%0.70335%0.352SS*.PPolyproline II helixtrans-78124.1171.7-56.7174.6000107.9H148H148-I150 PolarHBondContact O-N 2.68Å
151K56Low62.9Low189 Ų18968.1 Ų68.182%0.82236%0.356SS*.PPolyproline II helixtrans-52.8141.4-179.6-75.5-179.1179.7176.40110.9R153K151-R153 PolarHBondContact O-N 3.49Å
152P61.3Low63.3Low51 Ų5175.3 Ų75.333%0.33138%0.383SS..PPolyproline II helixtrans-49.2125173.50-7.4000110.9Q144 H146 Y154 T155Q144-P152 VanDerWaalsContact NE2-CB 3.34Å; H146-P152 WeakPolarHBondContact CE1-CB 3.16Å; H146-P152 WeakPolarHBondContact NE2-CA 3.45Å; H146-P152 WeakPolarHBondContact NE2-CB 3.49Å; H146-P152 WeakPolarHBondContact NE2-CD 3.44Å; H146-P152 WeakPolarHBondContact NE2-CG 3.37Å; P152-Y154 WeakPolarHBondContact CB-O 3.38Å; P152-Y154 PolarHBondContact O-N 2.95Å; P152-T155 HydrophobicContact CB-CG2 4.42Å; P152-T155 HydrophobicContact CG-CG2 4.33Å
153R64.3Low64.2Low156 Ų15676.6 Ų76.659%0.58939%0.389SS*.SBendtrans-63.6-32.7170.4-173.6172.8-179.5125.6-0.8111.1K151 I163K151-R153 PolarHBondContact O-N 3.49Å; R153-I163 VanDerWaalsContact O-CD1 3.27Å; R153-I163 WeakPolarHBondContact O-CD1 3.48Å
154Y64.6Low65Low18 Ų1876 Ų767%0.07139%0.385CS..  trans-127.2126.1176.3-52.9-66000109.8R140 L141 Q144 P152 A160 I163 V164R140-Y154 HydrophobicContact CB-CE2 4.3Å; L141-Y154 HydrophobicContact CD2-CG 4.39Å; Q144-Y154 PolarHBondContact NE2-O 2.91Å; P152-Y154 WeakPolarHBondContact CB-O 3.38Å; P152-Y154 PolarHBondContact O-N 2.95Å; Y154-A160 HydrophobicContact CD1-CB 3.71Å; Y154-A160 HydrophobicContact CE1-CB 4.29Å; Y154-A160 HydrophobicContact CG-CB 4.01Å; Y154-I163 HydrophobicContact CD1-CB 4.2Å; Y154-I163 HydrophobicContact CD1-CD1 4.01Å; Y154-I163 HydrophobicContact CD1-CG2 4.27Å; Y154-I163 HydrophobicContact CE1-CB 3.82Å; Y154-I163 HydrophobicContact CE1-CD1 4.39Å; Y154-I163 HydrophobicContact CE1-CG2 3.58Å; Y154-V164 HydrophobicContact CE1-CG2 4.15Å
155T66.6Low65.8Low109 Ų10976.1 Ų76.167%0.66939%0.391SS*.SBendtrans-94-17.7177.9570000113P152 N159P152-T155 HydrophobicContact CB-CG2 4.42Å; P152-T155 HydrophobicContact CG-CG2 4.33Å; T155-N159 PolarHBondContact OG1-ND2 2.89Å
156G71.9Confident67.1Low30 Ų3078.7 Ų78.731%0.30941%0.405SS..SBendtrans-174.5173.1178.900000112.6Y158 N159 A160G156-Y158 PolarHBondContact O-N 3.33Å; G156-N159 PolarHBondContact O-N 3.5Å; G156-A160 WeakPolarHBondContact O-CB 3.29Å; G156-A160 PolarHBondContact O-N 3.03Å
157T73.9Confident68.4Low21 Ų2179.8 Ų79.813%0.12942%0.416CS..Hα-helixtrans-57.8-49.5-175.9-55.70000113A80 V137 N159 A160 Y161A80-T157 HydrophobicContact CB-CG2 3.82Å; V137-T157 HydrophobicContact CG1-CG2 3.99Å; T157-N159 PolarHBondContact O-N 2.8Å; T157-A160 WeakPolarHBondContact O-CB 3.48Å; T157-A160 PolarHBondContact O-N 3.47Å; T157-Y161 HydrophobicContact CG2-CD2 4.06Å; T157-Y161 HydrophobicContact CG2-CE2 3.66Å; T157-Y161 WeakPolarHBondContact O-CD2 3.42Å; T157-Y161 PolarHBondContact O-N 3.4Å
158Y78.1Confident70Confident190 Ų19080.8 Ų80.875%0.74542%0.42SS*.Hα-helixtrans-63.5-41.7178.5-178.8-100.4000112.5G156 A160 Y161 R162G156-Y158 PolarHBondContact O-N 3.33Å; Y158-A160 VanDerWaalsContact C-N 3.28Å; Y158-A160 PolarHBondContact O-N 3.27Å; Y158-Y161 PolarHBondContact O-N 3.41Å; Y158-R162 PolarHBondContact O-N 3.25Å
159N80.3Confident72Confident46 Ų4674.5 Ų74.525%0.24640%0.398CS..Hα-helixtrans-65.7-33.9176.4-167.625000111.4T155 G156 T157 R162 I163T155-N159 PolarHBondContact OG1-ND2 2.89Å; G156-N159 PolarHBondContact O-N 3.5Å; T157-N159 PolarHBondContact O-N 2.8Å; N159-R162 PolarHBondContact O-N 2.99Å; N159-I163 WeakPolarHBondContact O-CB 3.46Å; N159-I163 WeakPolarHBondContact O-CG1 3.12Å; N159-I163 PolarHBondContact O-N 2.79Å; N159-I163 VanDerWaalsContact OD1-CD1 3.31Å; N159-I163 WeakPolarHBondContact OD1-CD1 3.29Å
160A77Confident73.6Confident1 Ų176.6 Ų76.61%0.00839%0.389CS..Hα-helixtrans-64.3-45.4173.200000112.2V137 L141 Y154 G156 T157 Y158 R162 I163 V164V137-A160 HydrophobicContact CG1-CB 3.74Å; L141-A160 HydrophobicContact CD1-CB 4.31Å; L141-A160 HydrophobicContact CD2-CB 4.12Å; L141-A160 HydrophobicContact CG-CB 4.21Å; Y154-A160 HydrophobicContact CD1-CB 3.71Å; Y154-A160 HydrophobicContact CE1-CB 4.29Å; Y154-A160 HydrophobicContact CG-CB 4.01Å; G156-A160 WeakPolarHBondContact O-CB 3.29Å; G156-A160 PolarHBondContact O-N 3.03Å; T157-A160 WeakPolarHBondContact O-CB 3.48Å; T157-A160 PolarHBondContact O-N 3.47Å; Y158-A160 VanDerWaalsContact C-N 3.28Å; Y158-A160 PolarHBondContact O-N 3.27Å; A160-R162 VanDerWaalsContact C-N 3.35Å; A160-R162 PolarHBondContact O-N 3.44Å; A160-I163 PolarHBondContact O-N 3.1Å; A160-V164 WeakPolarHBondContact O-CB 3.27Å; A160-V164 WeakPolarHBondContact O-CG2 3.37Å; A160-V164 PolarHBondContact O-N 3.31Å
161Y80.8Confident74.7Confident43 Ų4375.6 Ų75.617%0.16939%0.39CS..Hα-helixtrans-56.1-49.9173-79.9-74.2000111.7P133 T134 V137 T157 Y158 V164 A165 L173P133-Y161 HydrophobicContact CB-CE1 4.17Å; T134-Y161 WeakPolarHBondContact CA-OH 3.11Å; T134-Y161 WeakPolarHBondContact CB-OH 3.38Å; T134-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T134-Y161 PolarHBondContact OG1-OH 3.3Å; V137-Y161 HydrophobicContact CB-CE1 4.39Å; V137-Y161 HydrophobicContact CB-CE2 4.38Å; V137-Y161 HydrophobicContact CG1-CD2 4.34Å; V137-Y161 HydrophobicContact CG1-CE2 4.17Å; V137-Y161 HydrophobicContact CG2-CD1 3.66Å; V137-Y161 HydrophobicContact CG2-CD2 4.2Å; V137-Y161 HydrophobicContact CG2-CE1 3.66Å; V137-Y161 HydrophobicContact CG2-CE2 4.21Å; V137-Y161 HydrophobicContact CG2-CG 3.93Å; T157-Y161 HydrophobicContact CG2-CD2 4.06Å; T157-Y161 HydrophobicContact CG2-CE2 3.66Å; T157-Y161 WeakPolarHBondContact O-CD2 3.42Å; T157-Y161 PolarHBondContact O-N 3.4Å; Y158-Y161 PolarHBondContact O-N 3.41Å; Y161-V164 PolarHBondContact O-N 3.46Å; Y161-A165 VanDerWaalsContact O-CB 3.3Å; Y161-A165 WeakPolarHBondContact O-CB 3.39Å; Y161-A165 PolarHBondContact O-N 3.02Å; Y161-L173 HydrophobicContact CD1-CD2 3.82Å; Y161-L173 HydrophobicContact CE1-CD2 4.31Å
162R81.9Confident75.6Confident157 Ų15766.8 Ų66.859%0.59235%0.352SS*.Hα-helixtrans-60.3-52.7-179.3-174.2178.4-177.6-108.61.6111.5Y158 N159 A160 V164 A165 T166Y158-R162 PolarHBondContact O-N 3.25Å; N159-R162 PolarHBondContact O-N 2.99Å; A160-R162 VanDerWaalsContact C-N 3.35Å; A160-R162 PolarHBondContact O-N 3.44Å; R162-V164 VanDerWaalsContact C-N 3.33Å; R162-V164 PolarHBondContact O-N 3.4Å; R162-A165 PolarHBondContact O-N 2.91Å; R162-T166 HydrophobicContact CG-CG2 4.35Å; R162-T166 WeakPolarHBondContact O-CG2 3.22Å; R162-T166 PolarHBondContact O-N 3.46Å; R162-T166 PolarHBondContact O-OG1 3.02Å
163I80.5Confident76.4Confident32 Ų3265.3 Ų65.316%0.16434%0.342CS..Hα-helixtrans-61.3-43.5-177.7-70168.9000110.6R153 Y154 N159 A160 T166 T167R153-I163 VanDerWaalsContact O-CD1 3.27Å; R153-I163 WeakPolarHBondContact O-CD1 3.48Å; Y154-I163 HydrophobicContact CD1-CB 4.2Å; Y154-I163 HydrophobicContact CD1-CD1 4.01Å; Y154-I163 HydrophobicContact CD1-CG2 4.27Å; Y154-I163 HydrophobicContact CE1-CB 3.82Å; Y154-I163 HydrophobicContact CE1-CD1 4.39Å; Y154-I163 HydrophobicContact CE1-CG2 3.58Å; N159-I163 WeakPolarHBondContact O-CB 3.46Å; N159-I163 WeakPolarHBondContact O-CG1 3.12Å; N159-I163 PolarHBondContact O-N 2.79Å; N159-I163 VanDerWaalsContact OD1-CD1 3.31Å; N159-I163 WeakPolarHBondContact OD1-CD1 3.29Å; A160-I163 PolarHBondContact O-N 3.1Å; I163-T166 PolarHBondContact O-N 2.78Å; I163-T166 PolarHBondContact O-OG1 2.75Å; I163-T167 HydrophobicContact CG2-CG2 4.11Å; I163-T167 VanDerWaalsContact O-CB 3.28Å; I163-T167 WeakPolarHBondContact O-CB 3.34Å; I163-T167 VanDerWaalsContact O-CG2 3.31Å; I163-T167 WeakPolarHBondContact O-CG2 3.42Å; I163-T167 PolarHBondContact O-N 2.94Å; I163-T167 PolarHBondContact O-OG1 3.05Å
164V80.2Confident77.2Confident1 Ų161.8 Ų61.81%0.00633%0.328CS..Hα-helixtrans-63.8-47.5178.4174.90000110.6Y154 A160 Y161 R162 T166 T167 E168 L173Y154-V164 HydrophobicContact CE1-CG2 4.15Å; A160-V164 WeakPolarHBondContact O-CB 3.27Å; A160-V164 WeakPolarHBondContact O-CG2 3.37Å; A160-V164 PolarHBondContact O-N 3.31Å; Y161-V164 PolarHBondContact O-N 3.46Å; R162-V164 VanDerWaalsContact C-N 3.33Å; R162-V164 PolarHBondContact O-N 3.4Å; V164-T166 VanDerWaalsContact C-N 3.32Å; V164-T166 PolarHBondContact O-N 2.72Å; V164-T167 PolarHBondContact O-N 3.24Å; V164-E168 PolarHBondContact O-N 2.64Å; V164-L173 HydrophobicContact CB-CD2 4.43Å; V164-L173 HydrophobicContact CG1-CD2 4.06Å; V164-L173 HydrophobicContact CG1-CG 4.25Å
165A81.8Confident77.5Confident35 Ų3563.5 Ų63.529%0.28934%0.336SS..Hα-helixtrans-61.3-38.6178.600000112.7Y161 R162 G169 L173Y161-A165 VanDerWaalsContact O-CB 3.3Å; Y161-A165 WeakPolarHBondContact O-CB 3.39Å; Y161-A165 PolarHBondContact O-N 3.02Å; R162-A165 PolarHBondContact O-N 2.91Å; A165-G169 CarbonylContact O-C 3.43Å; A165-G169 WeakPolarHBondContact O-CA 3.18Å; A165-G169 PolarHBondContact O-N 3.12Å; A165-L173 HydrophobicContact CB-CD1 4.31Å
166T80.8Confident77.6Confident100 Ų10058.6 Ų58.661%0.61331%0.307SS*.Hα-helixtrans-81.5-30.3-178.857.20000113.7R162 I163 V164R162-T166 HydrophobicContact CG-CG2 4.35Å; R162-T166 WeakPolarHBondContact O-CG2 3.22Å; R162-T166 PolarHBondContact O-N 3.46Å; R162-T166 PolarHBondContact O-OG1 3.02Å; I163-T166 PolarHBondContact O-N 2.78Å; I163-T166 PolarHBondContact O-OG1 2.75Å; V164-T166 VanDerWaalsContact C-N 3.32Å; V164-T166 PolarHBondContact O-N 2.72Å
167T79Confident77.8Confident82 Ų8258.6 Ų58.650%0.50330%0.301SS..Hα-helixtrans-94.7-34-175.4580000113.6I163 V164I163-T167 HydrophobicContact CG2-CG2 4.11Å; I163-T167 VanDerWaalsContact O-CB 3.28Å; I163-T167 WeakPolarHBondContact O-CB 3.34Å; I163-T167 VanDerWaalsContact O-CG2 3.31Å; I163-T167 WeakPolarHBondContact O-CG2 3.42Å; I163-T167 PolarHBondContact O-N 2.94Å; I163-T167 PolarHBondContact O-OG1 3.05Å; V164-T167 PolarHBondContact O-N 3.24Å
168E75.4Confident77.9Confident56 Ų5662.2 Ų62.226%0.26232%0.323SS..Hα-helixtrans-112.9-2.7-177.9-68.4177.1-136.700112.6R140 V164R140-E168 IonicContact CZ-OE1 2.64Å; R140-E168 IonicContact CZ-OE2 3.24Å; R140-E168 VanDerWaalsContact NH1-CD 3.32Å; R140-E168 IonicContact NH1-OE1 2.6Å; R140-E168 PolarHBondContact NH1-OE1 3.47Å; R140-E168 IonicContact NH1-OE2 3.85Å; R140-E168 PolarHBondContact NH1-OE2 3.32Å; R140-E168 IonicContact NH2-OE1 3.43Å; R140-E168 PolarHBondContact NH2-OE1 3.14Å; R140-E168 IonicContact NH2-OE2 2.8Å; R140-E168 PolarHBondContact NH2-OE2 3.24Å; V164-E168 PolarHBondContact O-N 2.64Å
169G79.6Confident77.6Confident28 Ų2853.4 Ų53.429%0.28929%0.29SS..  trans77.1176.9-175.100000113.1A165 T171 G172A165-G169 CarbonylContact O-C 3.43Å; A165-G169 WeakPolarHBondContact O-CA 3.18Å; A165-G169 PolarHBondContact O-N 3.12Å; G169-T171 PolarHBondContact O-N 3.48Å; G169-G172 PolarHBondContact O-N 3.07Å
170L78.8Confident77.4Confident127 Ų12752.2 Ų52.267%0.66528%0.283SS*.Hα-helixtrans-59-36.6176.7-85.188.6000111.7G172 L173 W174L170-G172 PolarHBondContact O-N 3.26Å; L170-L173 WeakPolarHBondContact O-CB 3.37Å; L170-L173 PolarHBondContact O-N 2.6Å; L170-L173 VanDerWaalsContact O-N 3.07Å; L170-W174 WeakPolarHBondContact O-CZ3 3.5Å
171T76.4Confident77.4Confident116 Ų11655.1 Ų55.171%0.71230%0.298SS*.Hα-helixtrans-62.4-22.7177.649.20000113.3G169 L173 W174 K175G169-T171 PolarHBondContact O-N 3.48Å; T171-L173 VanDerWaalsContact C-N 3.3Å; T171-L173 PolarHBondContact O-N 3.23Å; T171-W174 PolarHBondContact O-N 2.93Å; T171-K175 PolarHBondContact O-N 3.02Å
172G73.6Confident77.3Confident4 Ų457.9 Ų57.94%0.04131%0.314CS..Hα-helixtrans-62.8-32.1172.800000113.8G169 L170 W174 K175G169-G172 PolarHBondContact O-N 3.07Å; L170-G172 PolarHBondContact O-N 3.26Å; G172-W174 VanDerWaalsContact C-N 3.33Å; G172-W174 PolarHBondContact O-N 3.44Å; G172-K175 VanDerWaalsContact O-CB 3.22Å; G172-K175 WeakPolarHBondContact O-CB 3.46Å; G172-K175 PolarHBondContact O-N 2.8Å
173L78.6Confident77.1Confident20 Ų2052.7 Ų52.711%0.10529%0.294CS..Hα-helixtrans-71.8-26.7177.7-70.7163.7000112.8P133 V136 V137 Y161 V164 A165 L170 T171P133-L173 WeakPolarHBondContact CA-O 3.26Å; P133-L173 HydrophobicContact CB-CB 4.17Å; P133-L173 HydrophobicContact CB-CD2 4.31Å; P133-L173 HydrophobicContact CG-CB 4.43Å; V136-L173 WeakPolarHBondContact CG2-O 3.37Å; V137-L173 HydrophobicContact CG2-CD2 4.46Å; Y161-L173 HydrophobicContact CD1-CD2 3.82Å; Y161-L173 HydrophobicContact CE1-CD2 4.31Å; V164-L173 HydrophobicContact CB-CD2 4.43Å; V164-L173 HydrophobicContact CG1-CD2 4.06Å; V164-L173 HydrophobicContact CG1-CG 4.25Å; A165-L173 HydrophobicContact CB-CD1 4.31Å; L170-L173 WeakPolarHBondContact O-CB 3.37Å; L170-L173 PolarHBondContact O-N 2.6Å; L170-L173 VanDerWaalsContact O-N 3.07Å; T171-L173 VanDerWaalsContact C-N 3.3Å; T171-L173 PolarHBondContact O-N 3.23Å
174W81.9Confident76.8Confident81 Ų8152.5 Ų52.531%0.30730%0.296SS..THydrogen-bonded Turntrans-96.96.6175.1-76-91.7000113.1F129 P133 L170 T171 G172 G176 T177F129-W174 AromaticContact CD2-CD1 3.73Å; F129-W174 AromaticContact CD2-NE1 3.77Å; F129-W174 AromaticContact CE1-NE1 3.88Å; F129-W174 AromaticContact CE2-CD1 3.54Å; F129-W174 HydrophobicContact CE2-CG 4.38Å; F129-W174 AromaticContact CE2-NE1 3.53Å; F129-W174 AromaticContact CZ-NE1 3.59Å; F129-W174 PolarHBondContact O-NE1 3.49Å; P133-W174 HydrophobicContact CG-CD2 4.39Å; P133-W174 HydrophobicContact CG-CH2 4.28Å; P133-W174 HydrophobicContact CG-CZ2 3.84Å; L170-W174 WeakPolarHBondContact O-CZ3 3.5Å; T171-W174 PolarHBondContact O-N 2.93Å; G172-W174 VanDerWaalsContact C-N 3.33Å; G172-W174 PolarHBondContact O-N 3.44Å; W174-G176 PolarHBondContact O-N 3.14Å; W174-G176 VanDerWaalsContact O-N 3.11Å; W174-T177 WeakPolarHBondContact O-CB 3.48Å; W174-T177 PolarHBondContact O-N 3.47Å; W174-T177 PolarHBondContact O-OG1 2.85Å
175K71.3Confident76.7Confident55 Ų5554.4 Ų54.424%0.23931%0.308CS..THydrogen-bonded Turntrans-63.9115177.2-168.1-179.9-178.1-174.10109.5V136 T171 G172 F240V136-K175 VanDerWaalsContact CG2-O 3.27Å; V136-K175 WeakPolarHBondContact CG2-O 3.28Å; T171-K175 PolarHBondContact O-N 3.02Å; G172-K175 VanDerWaalsContact O-CB 3.22Å; G172-K175 WeakPolarHBondContact O-CB 3.46Å; G172-K175 PolarHBondContact O-N 2.8Å; K175-F240 HydrophobicContact CG-CE1 4.34Å
176G68.4Low76.7Confident6 Ų655.1 Ų55.16%0.06231%0.306CS..THydrogen-bonded Turntrans106.34.6-173.900000114.6W174 P179 N180W174-G176 PolarHBondContact O-N 3.14Å; W174-G176 VanDerWaalsContact O-N 3.11Å; G176-P179 VanDerWaalsContact C-CD 3.47Å; G176-P179 VanDerWaalsContact O-CD 3.22Å; G176-P179 WeakPolarHBondContact O-CD 3.45Å; G176-P179 VanDerWaalsContact O-CG 3.27Å; G176-P179 WeakPolarHBondContact O-CG 3.25Å; G176-N180 VanDerWaalsContact O-CB 3.26Å; G176-N180 WeakPolarHBondContact O-CB 3.44Å; G176-N180 PolarHBondContact O-N 3.12Å
177T76.8Confident76.5Confident29 Ų2951.9 Ų51.918%0.17829%0.285CS..Hα-helixtrans-56.4-51.3172.6-56.10000113F129 Q132 W174 N180 L181F129-T177 HydrophobicContact CD2-CG2 4.49Å; Q132-T177 WeakPolarHBondContact CG-OG1 3.37Å; W174-T177 WeakPolarHBondContact O-CB 3.48Å; W174-T177 PolarHBondContact O-N 3.47Å; W174-T177 PolarHBondContact O-OG1 2.85Å; T177-N180 PolarHBondContact O-N 2.97Å; T177-L181 WeakPolarHBondContact O-CB 3.33Å; T177-L181 PolarHBondContact O-N 3.44Å
178T75.1Confident76.4Confident97 Ų9751.5 Ų51.560%0.59528%0.279SS*.Hα-helixtrans-57.6-52.1179.2-450000113.5N180 L181 M182T178-N180 VanDerWaalsContact C-N 3.3Å; T178-N180 PolarHBondContact O-N 3.44Å; T178-L181 PolarHBondContact O-N 3.43Å; T178-M182 WeakPolarHBondContact O-CB 3.41Å; T178-M182 WeakPolarHBondContact O-CG 3.45Å; T178-M182 PolarHBondContact O-N 2.9Å
179P72Confident76.4Confident6 Ų651.4 Ų51.44%0.03929%0.285CS..Hα-helixtrans-67.6-29.417824.7-32.9000112.8G176 R183 K237 V251G176-P179 VanDerWaalsContact C-CD 3.47Å; G176-P179 VanDerWaalsContact O-CD 3.22Å; G176-P179 WeakPolarHBondContact O-CD 3.45Å; G176-P179 VanDerWaalsContact O-CG 3.27Å; G176-P179 WeakPolarHBondContact O-CG 3.25Å; P179-R183 WeakPolarHBondContact O-CB 3.46Å; P179-R183 PolarHBondContact O-N 3.36Å; P179-K237 HydrophobicContact CB-CB 4.1Å; P179-K237 HydrophobicContact CB-CG 4.13Å; P179-K237 HydrophobicContact CG-CG 4.23Å; P179-V251 HydrophobicContact CB-CG1 4.36Å; P179-V251 HydrophobicContact CB-CG2 4.39Å; P179-V251 HydrophobicContact CG-CG2 4.11Å
180N75.5Confident76.4Confident20 Ų2050.4 Ų50.411%0.10727%0.273CS..Hα-helixtrans-69.9-40.3174.9-157.229.2000112.1V128 Q132 G176 T177 T178 R183 S184 K237V128-N180 HydrophobicContact CG1-CB 3.98Å; Q132-N180 VanDerWaalsContact NE2-CB 3.35Å; Q132-N180 PolarHBondContact NE2-ND2 3.47Å; G176-N180 VanDerWaalsContact O-CB 3.26Å; G176-N180 WeakPolarHBondContact O-CB 3.44Å; G176-N180 PolarHBondContact O-N 3.12Å; T177-N180 PolarHBondContact O-N 2.97Å; T178-N180 VanDerWaalsContact C-N 3.3Å; T178-N180 PolarHBondContact O-N 3.44Å; N180-R183 PolarHBondContact O-N 2.78Å; N180-S184 PolarHBondContact O-N 2.64Å; N180-K237 PolarHBondContact OD1-NZ 3.27Å
181L77.9Confident76.3Confident63 Ų6348.7 Ų48.733%0.3326%0.261SS..Hα-helixtrans-64.2-46.7175.6-174.663.7000110.7T177 T178 R183 S184 V185T177-L181 WeakPolarHBondContact O-CB 3.33Å; T177-L181 PolarHBondContact O-N 3.44Å; T178-L181 PolarHBondContact O-N 3.43Å; L181-R183 PolarHBondContact O-N 3.33Å; L181-S184 WeakPolarHBondContact O-CB 3.33Å; L181-S184 PolarHBondContact O-N 2.84Å; L181-S184 VanDerWaalsContact O-N 3.12Å; L181-V185 WeakPolarHBondContact O-CG2 3.45Å; L181-V185 PolarHBondContact O-N 2.95Å
182M77.4Confident76.1Confident101 Ų10146 Ų4650%0.49824%0.242SC..Hα-helixtrans-58.9-44.4175.4-73.6-70.6140.100112.1T178 S184 V185 I186T178-M182 WeakPolarHBondContact O-CB 3.41Å; T178-M182 WeakPolarHBondContact O-CG 3.45Å; T178-M182 PolarHBondContact O-N 2.9Å; M182-S184 VanDerWaalsContact C-N 3.33Å; M182-S184 PolarHBondContact O-N 3.39Å; M182-V185 PolarHBondContact O-N 2.98Å; M182-I186 VanDerWaalsContact O-CG1 3.28Å; M182-I186 WeakPolarHBondContact O-CG1 3.22Å; M182-I186 PolarHBondContact O-N 2.95Å
183R78.4Confident76.4Confident47 Ų4749.6 Ų49.618%0.17726%0.263CS..Hα-helixtrans-56-48.8172.8176-172.4166.658.53.4111.1P179 N180 L181 V185 I186 I187 S230 V233 D234P179-R183 WeakPolarHBondContact O-CB 3.46Å; P179-R183 PolarHBondContact O-N 3.36Å; N180-R183 PolarHBondContact O-N 2.78Å; L181-R183 PolarHBondContact O-N 3.33Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 2.85Å; R183-I186 PolarHBondContact O-N 3.08Å; R183-I187 HydrophobicContact CG-CD1 3.73Å; R183-I187 HydrophobicContact CG-CG1 4.47Å; R183-I187 WeakPolarHBondContact O-CG1 3.33Å; R183-I187 PolarHBondContact O-N 2.96Å; R183-S230 PolarHBondContact NH1-OG 3Å; R183-V233 HydrophobicContact CB-CG1 3.94Å; R183-D234 WeakPolarHBondContact CD-OD1 3.17Å; R183-D234 IonicContact CZ-OD1 3.52Å; R183-D234 IonicContact CZ-OD2 3.94Å; R183-D234 IonicContact NE-OD1 3.4Å; R183-D234 PolarHBondContact NE-OD1 3Å; R183-D234 IonicContact NH1-OD1 3.69Å; R183-D234 PolarHBondContact NH1-OD1 3.31Å; R183-D234 IonicContact NH1-OD2 3.7Å; R183-D234 PolarHBondContact NH1-OD2 3.03Å; R183-D234 IonicContact NH2-OD2 2.94Å
184S74.3Confident76.4Confident29 Ų2949.6 Ų49.620%0.20326%0.264CS..Hα-helixtrans-60.6-44.4-179.3-165.30000111.5N180 L181 M182 I187 N188N180-S184 PolarHBondContact O-N 2.64Å; L181-S184 WeakPolarHBondContact O-CB 3.33Å; L181-S184 PolarHBondContact O-N 2.84Å; L181-S184 VanDerWaalsContact O-N 3.12Å; M182-S184 VanDerWaalsContact C-N 3.33Å; M182-S184 PolarHBondContact O-N 3.39Å; S184-I187 PolarHBondContact O-N 3.25Å; S184-N188 WeakPolarHBondContact O-CB 3.33Å; S184-N188 PolarHBondContact O-N 3.34Å; S184-N188 PolarHBondContact O-ND2 2.87Å; S184-N188 PolarHBondContact OG-ND2 3.47Å
185V78.3Confident76.1Confident41 Ų4148.9 Ų48.925%0.24826%0.262CS..Hα-helixtrans-59.2-49.9176.3177.10000110.8L121 L181 M182 R183 I187 N188 C189L121-V185 HydrophobicContact CD2-CB 3.98Å; L121-V185 HydrophobicContact CD2-CG1 3.97Å; L121-V185 HydrophobicContact CD2-CG2 3.51Å; L181-V185 WeakPolarHBondContact O-CG2 3.45Å; L181-V185 PolarHBondContact O-N 2.95Å; M182-V185 PolarHBondContact O-N 2.98Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 2.85Å; V185-I187 PolarHBondContact O-N 2.96Å; V185-N188 PolarHBondContact O-N 3.43Å; V185-C189 WeakPolarHBondContact O-CB 3.3Å; V185-C189 PolarHBondContact O-N 2.88Å; V185-C189 PolarHBondContact O-SG 2.89Å
186I80.8Confident76.2Confident49 Ų4949.1 Ų49.125%0.25127%0.265SS..Hα-helixtrans-60.7-45.4-178.2-67.9169.7000111M182 R183 T190 M229 V233M182-I186 VanDerWaalsContact O-CG1 3.28Å; M182-I186 WeakPolarHBondContact O-CG1 3.22Å; M182-I186 PolarHBondContact O-N 2.95Å; R183-I186 PolarHBondContact O-N 3.08Å; I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 PolarHBondContact O-N 3.33Å; I186-T190 PolarHBondContact O-OG1 2.96Å; I186-M229 HydrophobicContact CG2-CB 4.24Å; I186-M229 HydrophobicContact CG2-CE 4.44Å; I186-V233 HydrophobicContact CD1-CB 4.45Å; I186-V233 HydrophobicContact CD1-CG2 3.47Å; I186-V233 VanDerWaalsContact CD1-CG2 3.47Å
187I77.9Confident76.8Confident33 Ų3353.4 Ų53.417%0.16929%0.287CS..Hα-helixtrans-61.2-53178.9-68.6168.4000110.3R183 S184 V185 C189 T190 E191 A226R183-I187 HydrophobicContact CG-CD1 3.73Å; R183-I187 HydrophobicContact CG-CG1 4.47Å; R183-I187 WeakPolarHBondContact O-CG1 3.33Å; R183-I187 PolarHBondContact O-N 2.96Å; S184-I187 PolarHBondContact O-N 3.25Å; V185-I187 PolarHBondContact O-N 2.96Å; I187-C189 VanDerWaalsContact C-N 3.34Å; I187-C189 PolarHBondContact O-N 3.36Å; I187-T190 PolarHBondContact O-N 2.98Å; I187-E191 VanDerWaalsContact O-CB 3.23Å; I187-E191 WeakPolarHBondContact O-CB 3.41Å; I187-E191 PolarHBondContact O-N 3.24Å; I187-A226 HydrophobicContact CG2-CB 4.44Å
188N75.6Confident76.8Confident73 Ų7354.5 Ų54.539%0.3929%0.29SS..Hα-helixtrans-61.1-42.9-177.5-75.1-62.8000111.9S184 V185 L192S184-N188 WeakPolarHBondContact O-CB 3.33Å; S184-N188 PolarHBondContact O-N 3.34Å; S184-N188 PolarHBondContact O-ND2 2.87Å; S184-N188 PolarHBondContact OG-ND2 3.47Å; V185-N188 PolarHBondContact O-N 3.43Å; N188-L192 VanDerWaalsContact O-CB 3.29Å; N188-L192 WeakPolarHBondContact O-CB 3.24Å; N188-L192 PolarHBondContact O-N 3.42Å; N188-L192 VanDerWaalsContact O-N 3.08Å
189C75.7Confident76.6Confident55 Ų5553.2 Ų53.237%0.37228%0.277SS..Hα-helixtrans-64.4-43.9176.5-69.80000111.8V185 I187 V193V185-C189 WeakPolarHBondContact O-CB 3.3Å; V185-C189 PolarHBondContact O-N 2.88Å; V185-C189 PolarHBondContact O-SG 2.89Å; I187-C189 VanDerWaalsContact C-N 3.34Å; I187-C189 PolarHBondContact O-N 3.36Å; C189-V193 WeakPolarHBondContact O-CB 3.45Å; C189-V193 VanDerWaalsContact O-CG2 3.25Å; C189-V193 WeakPolarHBondContact O-CG2 3.21Å; C189-V193 PolarHBondContact O-N 3.17Å
190T80.4Confident76.7Confident6 Ų659.4 Ų59.44%0.03731%0.305CS..Hα-helixtrans-67-44.6-179.1-510000111.4I186 I187 T194 C225 A226 M229I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 PolarHBondContact O-N 3.33Å; I186-T190 PolarHBondContact O-OG1 2.96Å; I187-T190 PolarHBondContact O-N 2.98Å; T190-T194 WeakPolarHBondContact O-CB 3.35Å; T190-T194 PolarHBondContact O-N 2.98Å; T190-T194 PolarHBondContact O-OG1 2.81Å; T190-C225 HydrophobicContact CG2-CB 4.23Å; T190-A226 HydrophobicContact CG2-CB 4.07Å; T190-M229 HydrophobicContact CG2-CB 4.31Å; T190-M229 HydrophobicContact CG2-CE 3.98Å; T190-M229 HydrophobicContact CG2-CG 4.23Å; T190-M229 HydrophobicContact CG2-SD 3.33Å; T190-M229 WeakPolarHBondContact CG2-SD 3.34Å; T190-M229 WeakPolarHBondContact OG1-CE 3.16Å; T190-M229 PolarHBondContact OG1-SD 3.45Å
191E75.4Confident76.7Confident91 Ų9160.3 Ų60.343%0.42532%0.315SS..Hα-helixtrans-62.8-46.1-178.6-172.5170.6-175.900110.4I187 Y195I187-E191 VanDerWaalsContact O-CB 3.23Å; I187-E191 WeakPolarHBondContact O-CB 3.41Å; I187-E191 PolarHBondContact O-N 3.24Å; E191-Y195 WeakPolarHBondContact O-CB 3.34Å; E191-Y195 PolarHBondContact O-N 3.42Å
192L73.9Confident76.4Confident60 Ų6058.9 Ų58.931%0.31431%0.306SS..Hα-helixtrans-62.9-52178-167.6152.2000111.8L113 I117 N188 T194 Y195 D196L113-L192 HydrophobicContact CD2-CD2 4.02Å; I117-L192 HydrophobicContact CD1-CD1 4.31Å; I117-L192 HydrophobicContact CD1-CD2 4.49Å; I117-L192 HydrophobicContact CG1-CD1 3.89Å; N188-L192 VanDerWaalsContact O-CB 3.29Å; N188-L192 WeakPolarHBondContact O-CB 3.24Å; N188-L192 PolarHBondContact O-N 3.42Å; N188-L192 VanDerWaalsContact O-N 3.08Å; L192-T194 PolarHBondContact O-N 3.09Å; L192-Y195 PolarHBondContact O-N 3.31Å; L192-D196 WeakPolarHBondContact CD2-OD2 3.33Å; L192-D196 PolarHBondContact O-N 3.45Å
193V78.6Confident76Confident80 Ų8057.8 Ų57.849%0.48531%0.305SS..Hα-helixtrans-63.5-43.4-179.2172.30000111.3C189 L197C189-V193 WeakPolarHBondContact O-CB 3.45Å; C189-V193 VanDerWaalsContact O-CG2 3.25Å; C189-V193 WeakPolarHBondContact O-CG2 3.21Å; C189-V193 PolarHBondContact O-N 3.17Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.42Å; V193-L197 WeakPolarHBondContact O-CB 3.21Å; V193-L197 VanDerWaalsContact O-CG 3.24Å; V193-L197 WeakPolarHBondContact O-CG 3.24Å; V193-L197 PolarHBondContact O-N 3.18Å
194T79.9Confident75.6Confident19 Ų1964.1 Ų64.112%0.11733%0.334CS..Hα-helixtrans-69.5-38.9-178.8-50.30000110.9T190 L192 M198 I221 A222 C225T190-T194 WeakPolarHBondContact O-CB 3.35Å; T190-T194 PolarHBondContact O-N 2.98Å; T190-T194 PolarHBondContact O-OG1 2.81Å; L192-T194 PolarHBondContact O-N 3.09Å; T194-M198 HydrophobicContact CG2-CG 4.1Å; T194-M198 VanDerWaalsContact O-CB 3.31Å; T194-M198 WeakPolarHBondContact O-CB 3.42Å; T194-M198 WeakPolarHBondContact O-CG 2.81Å; T194-M198 PolarHBondContact O-N 3.12Å; T194-I221 HydrophobicContact CG2-CG2 4.44Å; T194-A222 HydrophobicContact CG2-CB 4.13Å; T194-C225 HydrophobicContact CG2-CB 3.95Å
195Y74.4Confident75.2Confident67 Ų6767.8 Ų67.826%0.26335%0.351SS..Hα-helixtrans-62.5-46.5176.8-177.3-93.4000111.7E191 L192 M198 K199 H215E191-Y195 WeakPolarHBondContact O-CB 3.34Å; E191-Y195 PolarHBondContact O-N 3.42Å; L192-Y195 PolarHBondContact O-N 3.31Å; Y195-M198 PolarHBondContact O-N 3.36Å; Y195-K199 HydrophobicContact CE1-CD 4.3Å; Y195-K199 VanDerWaalsContact O-CB 3.29Å; Y195-K199 WeakPolarHBondContact O-CB 3.38Å; Y195-K199 PolarHBondContact O-N 2.83Å; Y195-H215 PolarHBondContact OH-ND1 3.31Å
196D74.7Confident74.2Confident59 Ų5973 Ų7332%0.31638%0.377SS..Hα-helixtrans-63.1-46.1179.2-72.8-16.3000111.3L192 M198 K199 E200L192-D196 WeakPolarHBondContact CD2-OD2 3.33Å; L192-D196 PolarHBondContact O-N 3.45Å; D196-M198 PolarHBondContact O-N 2.88Å; D196-K199 PolarHBondContact O-N 3.45Å; D196-E200 WeakPolarHBondContact O-CB 3.42Å; D196-E200 WeakPolarHBondContact O-CG 3.39Å; D196-E200 PolarHBondContact O-N 3.48Å
197L80.1Confident73.2Confident97 Ų9776 Ų7651%0.50839%0.393SS..Hα-helixtrans-62.9-41177.1-70.8173.9000112.7V193 A201V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.42Å; V193-L197 WeakPolarHBondContact O-CB 3.21Å; V193-L197 VanDerWaalsContact O-CG 3.24Å; V193-L197 WeakPolarHBondContact O-CG 3.24Å; V193-L197 PolarHBondContact O-N 3.18Å; L197-A201 VanDerWaalsContact O-CB 3.26Å; L197-A201 WeakPolarHBondContact O-CB 2.87Å; L197-A201 PolarHBondContact O-N 2.84Å
198M77.2Confident72.1Confident52 Ų5277.1 Ų77.126%0.25640%0.399SS..Hα-helixtrans-70.2-41.4178.5-70.6-58.198.900111.3T194 Y195 D196 A201 F202 I221T194-M198 HydrophobicContact CG2-CG 4.1Å; T194-M198 VanDerWaalsContact O-CB 3.31Å; T194-M198 WeakPolarHBondContact O-CB 3.42Å; T194-M198 WeakPolarHBondContact O-CG 2.81Å; T194-M198 PolarHBondContact O-N 3.12Å; Y195-M198 PolarHBondContact O-N 3.36Å; D196-M198 PolarHBondContact O-N 2.88Å; M198-A201 PolarHBondContact O-N 2.88Å; M198-F202 HydrophobicContact CB-CD2 4.38Å; M198-F202 HydrophobicContact CB-CE2 4.26Å; M198-F202 WeakPolarHBondContact O-CD2 3.39Å; M198-F202 PolarHBondContact O-N 3.25Å; M198-I221 HydrophobicContact CG-CB 4.35Å; M198-I221 HydrophobicContact CG-CG2 3.9Å; M198-I221 HydrophobicContact SD-CD1 4.28Å; M198-I221 HydrophobicContact SD-CG2 3.83Å
199K69.6Low71.1Confident70 Ų7077.3 Ų77.330%0.30441%0.411SS..Hα-helixtrans-61.3-47.7176.2-171.5-179.6-179.3-176.50111Y195 D196 A201 F202 V203Y195-K199 HydrophobicContact CE1-CD 4.3Å; Y195-K199 VanDerWaalsContact O-CB 3.29Å; Y195-K199 WeakPolarHBondContact O-CB 3.38Å; Y195-K199 PolarHBondContact O-N 2.83Å; D196-K199 PolarHBondContact O-N 3.45Å; K199-A201 VanDerWaalsContact C-N 3.32Å; K199-A201 PolarHBondContact O-N 3.26Å; K199-F202 PolarHBondContact O-N 2.89Å; K199-V203 HydrophobicContact CG-CG2 4.42Å; K199-V203 WeakPolarHBondContact O-CB 3.32Å; K199-V203 VanDerWaalsContact O-CG2 3.29Å; K199-V203 WeakPolarHBondContact O-CG2 3.43Å; K199-V203 PolarHBondContact O-N 3.25Å
200E74.8Confident70.3Confident136 Ų13679.7 Ų79.764%0.63642%0.42SS*.Hα-helixtrans-59.9-42.1175.6-76.6-175.9179.500111.9D196 K204D196-E200 WeakPolarHBondContact O-CB 3.42Å; D196-E200 WeakPolarHBondContact O-CG 3.39Å; D196-E200 PolarHBondContact O-N 3.48Å; E200-K204 WeakPolarHBondContact O-CB 3.15Å; E200-K204 PolarHBondContact O-N 3.01Å
201A74.8Confident69.4Low39 Ų3984 Ų8432%0.32244%0.443SS..Hα-helixtrans-65.2-40.3178.100000113L197 M198 K199 N205L197-A201 VanDerWaalsContact O-CB 3.26Å; L197-A201 WeakPolarHBondContact O-CB 2.87Å; L197-A201 PolarHBondContact O-N 2.84Å; M198-A201 PolarHBondContact O-N 2.88Å; K199-A201 VanDerWaalsContact C-N 3.32Å; K199-A201 PolarHBondContact O-N 3.26Å; A201-N205 WeakPolarHBondContact O-CB 3.14Å; A201-N205 PolarHBondContact O-N 3.05Å; A201-N205 PolarHBondContact O-ND2 3.37Å
202F72.4Confident69Low33 Ų3384.3 Ų84.315%0.14545%0.451CS..Hα-helixtrans-70.6-43.6178.9-77.6-58.3000112.6M198 K199 N206 L208 V217 S218 I221M198-F202 HydrophobicContact CB-CD2 4.38Å; M198-F202 HydrophobicContact CB-CE2 4.26Å; M198-F202 WeakPolarHBondContact O-CD2 3.39Å; M198-F202 PolarHBondContact O-N 3.25Å; K199-F202 PolarHBondContact O-N 2.89Å; F202-N206 PolarHBondContact O-N 2.98Å; F202-L208 HydrophobicContact CD1-CD1 4.2Å; F202-L208 HydrophobicContact CE1-CD1 4.31Å; F202-V217 HydrophobicContact CE2-CG1 4.21Å; F202-V217 HydrophobicContact CZ-CG1 3.77Å; F202-S218 VanDerWaalsContact CD2-OG 3.25Å; F202-S218 WeakPolarHBondContact CD2-OG 3.26Å; F202-S218 WeakPolarHBondContact CE2-OG 3.34Å; F202-I221 HydrophobicContact CE2-CD1 4.31Å; F202-I221 HydrophobicContact CZ-CD1 4.13Å
203V69.4Low68.6Low77 Ų7784.5 Ų84.547%0.46746%0.456SS..Hα-helixtrans-66.3-41.8178.1174.20000110.8K199 N205 N206K199-V203 HydrophobicContact CG-CG2 4.42Å; K199-V203 WeakPolarHBondContact O-CB 3.32Å; K199-V203 VanDerWaalsContact O-CG2 3.29Å; K199-V203 WeakPolarHBondContact O-CG2 3.43Å; K199-V203 PolarHBondContact O-N 3.25Å; V203-N205 PolarHBondContact O-N 3.01Å; V203-N206 PolarHBondContact O-N 3.45Å
204K69.6Low68.2Low181 Ų18180.8 Ų80.879%0.78743%0.433SS*.Hα-helixtrans-70.3-29.8-178-167.9174.2-177.3178.50113.4E200E200-K204 WeakPolarHBondContact O-CB 3.15Å; E200-K204 PolarHBondContact O-N 3.01Å
205N66.8Low67.7Low105 Ų10583.2 Ų83.256%0.56144%0.443SS*.THydrogen-bonded Turntrans-92.61.7-179.5-68.3-21000113.9A201 V203 I207A201-N205 WeakPolarHBondContact O-CB 3.14Å; A201-N205 PolarHBondContact O-N 3.05Å; A201-N205 PolarHBondContact O-ND2 3.37Å; V203-N205 PolarHBondContact O-N 3.01Å; N205-I207 HydrophobicContact CB-CD1 3.74Å; N205-I207 HydrophobicContact CB-CG1 3.66Å; N205-I207 WeakPolarHBondContact O-CG1 3.11Å; N205-I207 PolarHBondContact O-N 3.33Å
206N56.6Low67.5Low150 Ų15084.6 Ų84.680%0.80245%0.454SS*.THydrogen-bonded Turntrans51.826.3-179-90.3-44.4000114.4F202 V203F202-N206 PolarHBondContact O-N 2.98Å; V203-N206 PolarHBondContact O-N 3.45Å
207I60.4Low67.4Low114 Ų11484.7 Ų84.759%0.58546%0.457SS*.SBendtrans-81-31.5-174.9-54.4-178.6000111.1N205N205-I207 HydrophobicContact CB-CD1 3.74Å; N205-I207 HydrophobicContact CB-CG1 3.66Å; N205-I207 WeakPolarHBondContact O-CG1 3.11Å; N205-I207 PolarHBondContact O-N 3.33Å
208L54.7Low67Low55 Ų5580.1 Ų80.129%0.28843%0.433SS..SBendtrans-137.8136.6171.4-77.699.9000109.6F202 P213 C214F202-L208 HydrophobicContact CD1-CD1 4.2Å; F202-L208 HydrophobicContact CE1-CD1 4.31Å; L208-P213 HydrophobicContact CD2-CB 3.94Å; L208-C214 HydrophobicContact CB-CB 3.95Å; L208-C214 HydrophobicContact CD2-CB 4.15Å
209A54.7Low66.7Low78 Ų7880 Ų8065%0.64544%0.44SS*.  trans-62.1158.9163.600000110D211A209-D211 PolarHBondContact O-N 3.13Å
210D57.6Low66.9Low104 Ų10482.2 Ų82.256%0.55646%0.455SS*.SBendtrans-68.369.8179.6-141.29.8000109.8H215D210-H215 IonicContact OD1-CE1 3.65Å; D210-H215 IonicContact OD1-NE2 3.69Å
211D62.3Low67Low96 Ų9678.5 Ų78.551%0.51344%0.439SS..SBendtrans-126.3161.5-169.1-158-2.1000109.3A209 P213 C214 H215A209-D211 PolarHBondContact O-N 3.13Å; D211-P213 VanDerWaalsContact C-N 3.26Å; D211-P213 WeakPolarHBondContact O-CD 3.32Å; D211-C214 WeakPolarHBondContact O-CB 3.35Å; D211-C214 PolarHBondContact O-N 2.73Å; D211-H215 PolarHBondContact O-N 3.47Å
212V66.3Low67Low99 Ų9976.7 Ų76.760%0.642%0.424SS*.Hα-helixtrans-47.5-38.6-175.2-179.20000114.1C214 L216V212-C214 PolarHBondContact O-N 3.07Å; V212-L216 HydrophobicContact CG1-CD1 4.26Å; V212-L216 PolarHBondContact O-N 2.93Å; V212-L216 VanDerWaalsContact O-N 3.16Å
213P66.8Low67.1Low64 Ų6476 Ų7642%0.41643%0.426SS..Hα-helixtrans-65.5-33.6177.3-19.732.8000114L208 D211 L216 V217L208-P213 HydrophobicContact CD2-CB 3.94Å; D211-P213 VanDerWaalsContact C-N 3.26Å; D211-P213 WeakPolarHBondContact O-CD 3.32Å; P213-L216 PolarHBondContact O-N 3.2Å; P213-V217 WeakPolarHBondContact O-CG2 3.27Å; P213-V217 PolarHBondContact O-N 3Å
214C68.5Low67.5Low2 Ų277.4 Ų77.41%0.01443%0.426CS..Hα-helixtrans-66.6-44.5179.7-175.50000111L208 D211 V212 L216 V217 S218L208-C214 HydrophobicContact CB-CB 3.95Å; L208-C214 HydrophobicContact CD2-CB 4.15Å; D211-C214 WeakPolarHBondContact O-CB 3.35Å; D211-C214 PolarHBondContact O-N 2.73Å; V212-C214 PolarHBondContact O-N 3.07Å; C214-L216 VanDerWaalsContact C-N 3.33Å; C214-L216 PolarHBondContact O-N 2.93Å; C214-V217 PolarHBondContact O-N 3.11Å; C214-S218 VanDerWaalsContact O-CB 3.27Å; C214-S218 WeakPolarHBondContact O-CB 3.31Å; C214-S218 PolarHBondContact O-N 3.36Å; C214-S218 PolarHBondContact O-OG 3.12Å
215H71.1Confident68Low70 Ų7070.8 Ų70.832%0.32440%0.402SS..Hα-helixtrans-63.3-39.8175.1-67.5-59.2000112.1Y195 D210 D211 A219Y195-H215 PolarHBondContact OH-ND1 3.31Å; D210-H215 IonicContact OD1-CE1 3.65Å; D210-H215 IonicContact OD1-NE2 3.69Å; D211-H215 PolarHBondContact O-N 3.47Å; H215-A219 WeakPolarHBondContact O-CB 3.37Å; H215-A219 PolarHBondContact O-N 3.23Å
216L69Low68.5Low95 Ų9566 Ų6650%0.49738%0.377SS..Hα-helixtrans-64.6-48.2177.7-108.2155.4000112.5V212 P213 C214 A219 L220V212-L216 HydrophobicContact CG1-CD1 4.26Å; V212-L216 PolarHBondContact O-N 2.93Å; V212-L216 VanDerWaalsContact O-N 3.16Å; P213-L216 PolarHBondContact O-N 3.2Å; C214-L216 VanDerWaalsContact C-N 3.33Å; C214-L216 PolarHBondContact O-N 2.93Å; L216-A219 PolarHBondContact O-N 3.34Å; L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.23Å; L216-L220 PolarHBondContact O-N 3.44Å
217V74Confident69.3Low61 Ų6159.5 Ų59.537%0.3734%0.343SS..Hα-helixtrans-65.8-43179.2174.10000110.8F202 P213 C214 A219 L220 I221F202-V217 HydrophobicContact CE2-CG1 4.21Å; F202-V217 HydrophobicContact CZ-CG1 3.77Å; P213-V217 WeakPolarHBondContact O-CG2 3.27Å; P213-V217 PolarHBondContact O-N 3Å; C214-V217 PolarHBondContact O-N 3.11Å; V217-A219 VanDerWaalsContact C-N 3.35Å; V217-A219 PolarHBondContact O-N 3.02Å; V217-L220 PolarHBondContact O-N 2.88Å; V217-I221 HydrophobicContact CG1-CD1 3.86Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; V217-I221 PolarHBondContact O-N 3.35Å
218S71.1Confident70.2Confident1 Ų155.5 Ų55.51%0.00733%0.327CS..Hα-helixtrans-60.9-43.8176.3-58.20000111.7F202 C214 I221 A222F202-S218 VanDerWaalsContact CD2-OG 3.25Å; F202-S218 WeakPolarHBondContact CD2-OG 3.26Å; F202-S218 WeakPolarHBondContact CE2-OG 3.34Å; C214-S218 VanDerWaalsContact O-CB 3.27Å; C214-S218 WeakPolarHBondContact O-CB 3.31Å; C214-S218 PolarHBondContact O-N 3.36Å; C214-S218 PolarHBondContact O-OG 3.12Å; S218-I221 PolarHBondContact O-N 3Å; S218-A222 VanDerWaalsContact O-CB 3.28Å; S218-A222 WeakPolarHBondContact O-CB 3.38Å; S218-A222 PolarHBondContact O-N 3.25Å
219A70.7Confident71.5Confident49 Ų4958.1 Ų58.141%0.40534%0.339SS..Hα-helixtrans-65.6-37.4176.800000112.7H215 L216 V217 G223H215-A219 WeakPolarHBondContact O-CB 3.37Å; H215-A219 PolarHBondContact O-N 3.23Å; L216-A219 PolarHBondContact O-N 3.34Å; V217-A219 VanDerWaalsContact C-N 3.35Å; V217-A219 PolarHBondContact O-N 3.02Å; A219-G223 PolarHBondContact O-N 3.46Å
220L72.6Confident72.5Confident117 Ų11754.5 Ų54.561%0.61331%0.309SS*.Hα-helixtrans-66.8-43176.5-74.7172.3000112.2L216 V217 G223 F224L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.23Å; L216-L220 PolarHBondContact O-N 3.44Å; V217-L220 PolarHBondContact O-N 2.88Å; L220-G223 PolarHBondContact O-N 3.45Å; L220-F224 PolarHBondContact O-N 3.1Å
221I78.2Confident73.4Confident59 Ų5949.7 Ų49.730%0.30328%0.283SS..Hα-helixtrans-65.5-45.3176.4-64.6167000110.1T194 M198 F202 V217 S218 G223 F224 C225T194-I221 HydrophobicContact CG2-CG2 4.44Å; M198-I221 HydrophobicContact CG-CB 4.35Å; M198-I221 HydrophobicContact CG-CG2 3.9Å; M198-I221 HydrophobicContact SD-CD1 4.28Å; M198-I221 HydrophobicContact SD-CG2 3.83Å; F202-I221 HydrophobicContact CE2-CD1 4.31Å; F202-I221 HydrophobicContact CZ-CD1 4.13Å; V217-I221 HydrophobicContact CG1-CD1 3.86Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; V217-I221 PolarHBondContact O-N 3.35Å; S218-I221 PolarHBondContact O-N 3Å; I221-G223 VanDerWaalsContact C-N 3.34Å; I221-G223 PolarHBondContact O-N 3.36Å; I221-F224 PolarHBondContact O-N 2.78Å; I221-C225 PolarHBondContact O-N 3.45Å
222A74.5Confident74Confident1 Ų146.8 Ų46.81%0.00827%0.27CS..Hα-helixtrans-58.7-44.8175.500000111.9T194 S218 F224 C225 A226T194-A222 HydrophobicContact CG2-CB 4.13Å; S218-A222 VanDerWaalsContact O-CB 3.28Å; S218-A222 WeakPolarHBondContact O-CB 3.38Å; S218-A222 PolarHBondContact O-N 3.25Å; A222-F224 VanDerWaalsContact C-N 3.34Å; A222-F224 PolarHBondContact O-N 3.33Å; A222-C225 PolarHBondContact O-N 3.47Å; A222-A226 VanDerWaalsContact O-CB 3.29Å; A222-A226 WeakPolarHBondContact O-CB 3.44Å; A222-A226 PolarHBondContact O-N 2.82Å
223G73.4Confident74.5Confident19 Ų1943.7 Ų43.720%0.19625%0.251CS..Hα-helixtrans-62.6-37.3176.400000113.4A219 L220 I221 T227A219-G223 PolarHBondContact O-N 3.46Å; L220-G223 PolarHBondContact O-N 3.45Å; I221-G223 VanDerWaalsContact C-N 3.34Å; I221-G223 PolarHBondContact O-N 3.36Å; G223-T227 WeakPolarHBondContact O-CB 3.1Å; G223-T227 PolarHBondContact O-N 2.82Å; G223-T227 PolarHBondContact O-OG1 3.22Å
224F79.1Confident74.7Confident106 Ų10641.3 Ų41.347%0.46524%0.235SC..Hα-helixtrans-65.9-49.6174.6-179.4-101.4000111.8L220 I221 A222 A226 T227 A228 F275L220-F224 PolarHBondContact O-N 3.1Å; I221-F224 PolarHBondContact O-N 2.78Å; A222-F224 VanDerWaalsContact C-N 3.34Å; A222-F224 PolarHBondContact O-N 3.33Å; F224-A226 PolarHBondContact O-N 2.89Å; F224-T227 PolarHBondContact O-N 3.47Å; F224-A228 PolarHBondContact O-N 3.4Å; F224-F275 HydrophobicContact CB-CE2 4.43Å; F224-F275 AromaticContact CD2-CD2 3.78Å; F224-F275 HydrophobicContact CD2-CD2 3.78Å; F224-F275 AromaticContact CD2-CE2 3.49Å; F224-F275 HydrophobicContact CD2-CE2 3.49Å; F224-F275 VanDerWaalsContact CD2-CE2 3.49Å; F224-F275 AromaticContact CD2-CZ 4Å; F224-F275 HydrophobicContact CD2-CZ 4Å; F224-F275 HydrophobicContact CE2-CD2 4.29Å; F224-F275 HydrophobicContact CE2-CE2 4.25Å; F224-F275 HydrophobicContact CG-CE2 4.43Å
225C79.5Confident74.9Confident42 Ų4241.7 Ų41.728%0.28424%0.237SC..Hα-helixtrans-60.9-44177.6-71.70000111.9T190 T194 I221 A222 T227 A228 M229T190-C225 HydrophobicContact CG2-CB 4.23Å; T194-C225 HydrophobicContact CG2-CB 3.95Å; I221-C225 PolarHBondContact O-N 3.45Å; A222-C225 PolarHBondContact O-N 3.47Å; C225-T227 VanDerWaalsContact C-N 3.3Å; C225-T227 PolarHBondContact O-N 3.3Å; C225-A228 PolarHBondContact O-N 3.01Å; C225-M229 PolarHBondContact O-N 3.46Å
226A77.1Confident75Confident4 Ų438.9 Ų38.93%0.03323%0.225CC..Hα-helixtrans-61.3-38.4175.600000112.1I187 T190 A222 F224 S230I187-A226 HydrophobicContact CG2-CB 4.44Å; T190-A226 HydrophobicContact CG2-CB 4.07Å; A222-A226 VanDerWaalsContact O-CB 3.29Å; A222-A226 WeakPolarHBondContact O-CB 3.44Å; A222-A226 PolarHBondContact O-N 2.82Å; F224-A226 PolarHBondContact O-N 2.89Å; A226-S230 WeakPolarHBondContact O-CB 3.25Å; A226-S230 PolarHBondContact O-N 3.43Å; A226-S230 PolarHBondContact O-OG 2.84Å
227T74.1Confident75Confident13 Ų1335.1 Ų35.18%0.0821%0.205CC..Hα-helixtrans-68-43.3175.4-57.90000111.5G223 F224 C225 S230 S231 L271G223-T227 WeakPolarHBondContact O-CB 3.1Å; G223-T227 PolarHBondContact O-N 2.82Å; G223-T227 PolarHBondContact O-OG1 3.22Å; F224-T227 PolarHBondContact O-N 3.47Å; C225-T227 VanDerWaalsContact C-N 3.3Å; C225-T227 PolarHBondContact O-N 3.3Å; T227-S230 PolarHBondContact O-N 3.4Å; T227-S230 PolarHBondContact O-OG 2.92Å; T227-S231 WeakPolarHBondContact O-CB 3.27Å; T227-S231 PolarHBondContact O-N 2.83Å; T227-S231 PolarHBondContact O-OG 3.32Å; T227-L271 HydrophobicContact CG2-CD1 4.44Å
228A79.6Confident74.7Confident30 Ų3033.6 Ų33.625%0.24820%0.195CC..Hα-helixtrans-61.9-45177.700000111.7F224 C225F224-A228 PolarHBondContact O-N 3.4Å; C225-A228 PolarHBondContact O-N 3.01Å
229M80.5Confident74.6Confident110 Ų11034.1 Ų34.154%0.54220%0.197SC..Hα-helixtrans-71.7-33178.8-76.6-178.348.100113.8I186 T190 C225 P232I186-M229 HydrophobicContact CG2-CB 4.24Å; I186-M229 HydrophobicContact CG2-CE 4.44Å; T190-M229 HydrophobicContact CG2-CB 4.31Å; T190-M229 HydrophobicContact CG2-CE 3.98Å; T190-M229 HydrophobicContact CG2-CG 4.23Å; T190-M229 HydrophobicContact CG2-SD 3.33Å; T190-M229 WeakPolarHBondContact CG2-SD 3.34Å; T190-M229 WeakPolarHBondContact OG1-CE 3.16Å; T190-M229 PolarHBondContact OG1-SD 3.45Å; C225-M229 PolarHBondContact O-N 3.46Å; M229-P232 WeakPolarHBondContact O-CD 3.34Å
230S76.9Confident74.6Confident2 Ų233.2 Ų33.21%0.01418%0.184CC..Hα-helixtrans-83-13.9178.863.40000114R183 A226 T227 V233 D234R183-S230 PolarHBondContact NH1-OG 3Å; A226-S230 WeakPolarHBondContact O-CB 3.25Å; A226-S230 PolarHBondContact O-N 3.43Å; A226-S230 PolarHBondContact O-OG 2.84Å; T227-S230 PolarHBondContact O-N 3.4Å; T227-S230 PolarHBondContact O-OG 2.92Å; S230-V233 PolarHBondContact O-N 3.24Å; S230-V233 VanDerWaalsContact O-N 3.16Å; S230-D234 PolarHBondContact O-N 2.82Å
231S75.7Confident74.2Confident3 Ų328 Ų282%0.02116%0.157CC..Hα-helixtrans-58.3-44-177.3-73.50000114.9T227 V233 D234 V235 L271T227-S231 WeakPolarHBondContact O-CB 3.27Å; T227-S231 PolarHBondContact O-N 2.83Å; T227-S231 PolarHBondContact O-OG 3.32Å; S231-V233 VanDerWaalsContact C-N 3.28Å; S231-V233 PolarHBondContact O-N 3.42Å; S231-D234 WeakPolarHBondContact O-CB 3.44Å; S231-D234 PolarHBondContact O-N 2.95Å; S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.04Å; S231-V235 VanDerWaalsContact O-N 3.07Å; S231-L271 WeakPolarHBondContact OG-CD1 3.48Å
232P75.9Confident73.5Confident36 Ų3627.2 Ų27.223%0.23415%0.153CC..Hα-helixtrans-59.1-40.2175.5-2535.3000112.5M229 V235 V236 F267M229-P232 WeakPolarHBondContact O-CD 3.34Å; P232-V235 PolarHBondContact O-N 3.5Å; P232-V236 VanDerWaalsContact O-CG2 3.29Å; P232-V236 WeakPolarHBondContact O-CG2 3.23Å; P232-V236 PolarHBondContact O-N 3.43Å; P232-V236 VanDerWaalsContact O-N 3.14Å; P232-F267 HydrophobicContact CB-CB 4.15Å; P232-F267 HydrophobicContact CB-CD1 3.88Å; P232-F267 HydrophobicContact CB-CG 4.42Å; P232-F267 HydrophobicContact CG-CB 4.45Å
233V75.6Confident72.9Confident33 Ų3327.7 Ų27.720%0.216%0.157CC..Hα-helixtrans-70.7-35.8179.4-1790000111.4R183 I186 S230 S231 V236 K237R183-V233 HydrophobicContact CB-CG1 3.94Å; I186-V233 HydrophobicContact CD1-CB 4.45Å; I186-V233 HydrophobicContact CD1-CG2 3.47Å; I186-V233 VanDerWaalsContact CD1-CG2 3.47Å; S230-V233 PolarHBondContact O-N 3.24Å; S230-V233 VanDerWaalsContact O-N 3.16Å; S231-V233 VanDerWaalsContact C-N 3.28Å; S231-V233 PolarHBondContact O-N 3.42Å; V233-V236 PolarHBondContact O-N 2.96Å; V233-K237 VanDerWaalsContact O-CB 3.27Å; V233-K237 WeakPolarHBondContact O-CB 3.1Å; V233-K237 PolarHBondContact O-N 3.01Å
234D72.6Confident72.2Confident15 Ų1530.4 Ų30.48%0.0817%0.17CC..Hα-helixtrans-59.8-49.6173.2-85.3-8.1000112.4R183 S230 S231 V236 K237 T238R183-D234 WeakPolarHBondContact CD-OD1 3.17Å; R183-D234 IonicContact CZ-OD1 3.52Å; R183-D234 IonicContact CZ-OD2 3.94Å; R183-D234 IonicContact NE-OD1 3.4Å; R183-D234 PolarHBondContact NE-OD1 3Å; R183-D234 IonicContact NH1-OD1 3.69Å; R183-D234 PolarHBondContact NH1-OD1 3.31Å; R183-D234 IonicContact NH1-OD2 3.7Å; R183-D234 PolarHBondContact NH1-OD2 3.03Å; R183-D234 IonicContact NH2-OD2 2.94Å; S230-D234 PolarHBondContact O-N 2.82Å; S231-D234 WeakPolarHBondContact O-CB 3.44Å; S231-D234 PolarHBondContact O-N 2.95Å; D234-V236 VanDerWaalsContact C-N 3.32Å; D234-V236 PolarHBondContact O-N 2.9Å; D234-K237 PolarHBondContact O-N 3.35Å; D234-T238 WeakPolarHBondContact O-CG2 3.33Å; D234-T238 PolarHBondContact O-N 2.99Å; D234-T238 PolarHBondContact O-OG1 3.47Å; D234-T238 VanDerWaalsContact O-OG1 3.07Å
235V71.1Confident71.1Confident9 Ų930.8 Ų30.86%0.05518%0.184CC..Hα-helixtrans-62.6-42.8-178.6176.10000110.6S231 P232 T238 R239 M258 F267S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.04Å; S231-V235 VanDerWaalsContact O-N 3.07Å; P232-V235 PolarHBondContact O-N 3.5Å; V235-T238 PolarHBondContact O-OG1 3.04Å; V235-R239 WeakPolarHBondContact O-CG 3.17Å; V235-R239 PolarHBondContact O-N 3.22Å; V235-R239 VanDerWaalsContact O-N 3.12Å; V235-M258 HydrophobicContact CG1-CE 3.96Å; V235-M258 HydrophobicContact CG1-SD 3.86Å; V235-F267 WeakPolarHBondContact CG2-O 3.43Å
236V73.1Confident70.3Confident11 Ų1132.6 Ų32.67%0.06721%0.21CC..Hα-helixtrans-65.8-42.8176.9176.60000111.3P232 V233 D234 R239 F240 V251 A255 M258 F267P232-V236 VanDerWaalsContact O-CG2 3.29Å; P232-V236 WeakPolarHBondContact O-CG2 3.23Å; P232-V236 PolarHBondContact O-N 3.43Å; P232-V236 VanDerWaalsContact O-N 3.14Å; V233-V236 PolarHBondContact O-N 2.96Å; D234-V236 VanDerWaalsContact C-N 3.32Å; D234-V236 PolarHBondContact O-N 2.9Å; V236-R239 PolarHBondContact O-N 3.07Å; V236-F240 VanDerWaalsContact O-CB 3.31Å; V236-F240 WeakPolarHBondContact O-CB 3.23Å; V236-F240 PolarHBondContact O-N 2.72Å; V236-V251 HydrophobicContact CG1-CG1 3.71Å; V236-A255 HydrophobicContact CG1-CB 4.33Å; V236-A255 HydrophobicContact CG2-CB 4.04Å; V236-M258 HydrophobicContact CG2-CE 3.66Å; V236-F267 HydrophobicContact CG2-CD1 4.27Å; V236-F267 HydrophobicContact CG2-CE1 3.88Å
237K70.7Confident69.9Low17 Ų1737 Ų377%0.07423%0.23CC..Hα-helixtrans-59.8-49.8177.8-179.5-173.8174.1-166.80110.8P179 N180 V233 D234 R239 F240 I241P179-K237 HydrophobicContact CB-CB 4.1Å; P179-K237 HydrophobicContact CB-CG 4.13Å; P179-K237 HydrophobicContact CG-CG 4.23Å; N180-K237 PolarHBondContact OD1-NZ 3.27Å; V233-K237 VanDerWaalsContact O-CB 3.27Å; V233-K237 WeakPolarHBondContact O-CB 3.1Å; V233-K237 PolarHBondContact O-N 3.01Å; D234-K237 PolarHBondContact O-N 3.35Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-R239 PolarHBondContact O-N 3.28Å; K237-F240 PolarHBondContact O-N 3.33Å; K237-I241 HydrophobicContact CD-CD1 4.36Å; K237-I241 HydrophobicContact CG-CD1 3.72Å; K237-I241 HydrophobicContact CG-CG1 4.48Å; K237-I241 WeakPolarHBondContact O-CG1 3.48Å; K237-I241 PolarHBondContact O-N 3.47Å
238T67.3Low69.6Low28 Ų2838.5 Ų38.517%0.17223%0.234CC..Hα-helixtrans-63.3-41.3-177.351.70000111.7D234 V235 N242D234-T238 WeakPolarHBondContact O-CG2 3.33Å; D234-T238 PolarHBondContact O-N 2.99Å; D234-T238 PolarHBondContact O-OG1 3.47Å; D234-T238 VanDerWaalsContact O-OG1 3.07Å; V235-T238 PolarHBondContact O-OG1 3.04Å; T238-N242 WeakPolarHBondContact O-CB 3.47Å; T238-N242 PolarHBondContact O-N 3.3Å; T238-N242 VanDerWaalsContact O-N 3.1Å
239R68.8Low68.9Low13 Ų1348.3 Ų48.35%0.04926%0.264CS..Hα-helixtrans-66.6-44.7176.5-74-171.5176.8-147.48.3112.8E46 V235 V236 K237 I241 N242 S243 M258 E262E46-R239 WeakPolarHBondContact OE1-CA 3.45Å; V235-R239 WeakPolarHBondContact O-CG 3.17Å; V235-R239 PolarHBondContact O-N 3.22Å; V235-R239 VanDerWaalsContact O-N 3.12Å; V236-R239 PolarHBondContact O-N 3.07Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-R239 PolarHBondContact O-N 3.28Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-I241 PolarHBondContact O-N 3.15Å; R239-N242 PolarHBondContact O-N 3.4Å; R239-S243 WeakPolarHBondContact O-CB 3.3Å; R239-S243 PolarHBondContact O-N 2.94Å; R239-S243 PolarHBondContact O-OG 3.44Å; R239-M258 VanDerWaalsContact CD-SD 3.6Å; R239-E262 IonicContact CZ-OE1 3.68Å; R239-E262 IonicContact CZ-OE2 3.23Å; R239-E262 IonicContact NH1-OE1 2.72Å; R239-E262 PolarHBondContact NH1-OE1 2.82Å; R239-E262 IonicContact NH1-OE2 3.2Å; R239-E262 IonicContact NH2-OE1 3.57Å; R239-E262 PolarHBondContact NH2-OE1 3.23Å; R239-E262 IonicContact NH2-OE2 2.93Å; R239-E262 PolarHBondContact NH2-OE2 3.44Å
240F69.6Low68.6Low29 Ų2945.4 Ų45.413%0.12726%0.255CS..Hα-helixtrans-63.3-39.1179.6-177.9-99.9000112.6K175 V236 K237 V251K175-F240 HydrophobicContact CG-CE1 4.34Å; V236-F240 VanDerWaalsContact O-CB 3.31Å; V236-F240 WeakPolarHBondContact O-CB 3.23Å; V236-F240 PolarHBondContact O-N 2.72Å; K237-F240 PolarHBondContact O-N 3.33Å; F240-V251 HydrophobicContact CD1-CG2 4.01Å; F240-V251 HydrophobicContact CD2-CG2 4.23Å; F240-V251 HydrophobicContact CE1-CG2 4.11Å; F240-V251 HydrophobicContact CE2-CG2 4.33Å; F240-V251 HydrophobicContact CG-CG2 4.06Å; F240-V251 HydrophobicContact CZ-CG2 4.27Å
241I65.3Low68.5Low8 Ų847.1 Ų47.14%0.04127%0.265CS..Hα-helixtrans-69.4-37.2177.7-69.2172.8000111.4V139 K237 R239V139-I241 HydrophobicContact CG1-CG2 4.06Å; K237-I241 HydrophobicContact CD-CD1 4.36Å; K237-I241 HydrophobicContact CG-CD1 3.72Å; K237-I241 HydrophobicContact CG-CG1 4.48Å; K237-I241 WeakPolarHBondContact O-CG1 3.48Å; K237-I241 PolarHBondContact O-N 3.47Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-I241 PolarHBondContact O-N 3.15Å
242N63.3Low68.7Low43 Ų4351.4 Ų51.423%0.2329%0.293CS..Hα-helixtrans-85.5-13.8-175.6-159.556.4000114.3I43 E46 A143 T238 R239I43-N242 HydrophobicContact CG1-CB 4.48Å; I43-N242 WeakPolarHBondContact CG1-ND2 3.27Å; I43-N242 VanDerWaalsContact CG2-ND2 3.33Å; I43-N242 WeakPolarHBondContact CG2-ND2 3.48Å; E46-N242 PolarHBondContact OE2-ND2 3.02Å; A143-N242 WeakPolarHBondContact CB-OD1 3.35Å; T238-N242 WeakPolarHBondContact O-CB 3.47Å; T238-N242 PolarHBondContact O-N 3.3Å; T238-N242 VanDerWaalsContact O-N 3.1Å; R239-N242 PolarHBondContact O-N 3.4Å
243S61.2Low68.8Low11 Ų1152.3 Ų52.38%0.07730%0.296CS..SBendtrans-69.8139-177.7-66.30000113.3R239 Y248R239-S243 WeakPolarHBondContact O-CB 3.3Å; R239-S243 PolarHBondContact O-N 2.94Å; R239-S243 PolarHBondContact O-OG 3.44Å; S243-Y248 WeakPolarHBondContact OG-CD2 3.42Å; S243-Y248 WeakPolarHBondContact OG-CE2 3.15Å
244P58.9Low68.8Low75 Ų7550.8 Ų50.849%0.48729%0.287SS..PPolyproline II helixtrans-48.2144.1169.5-25.128.8000112.8G246 Q247P244-G246 PolarHBondContact O-N 2.94Å; P244-G246 VanDerWaalsContact O-N 3.11Å; P244-Q247 VanDerWaalsContact CD-OE1 3.23Å; P244-Q247 PolarHBondContact O-N 3.07Å
245P57.2Low69Low115 Ų11551.4 Ų51.475%0.74729%0.294SS*.THydrogen-bonded Turntrans-57.2119.9175.322.5-30.1000110
246G63Low69.5Low80 Ų8056.8 Ų56.883%0.82532%0.32SS*.THydrogen-bonded Turntrans107.5-1717900000116.2P244P244-G246 PolarHBondContact O-N 2.94Å; P244-G246 VanDerWaalsContact O-N 3.11Å
247Q66.8Low69.7Low97 Ų9760.5 Ų60.545%0.45334%0.336SS..SBendtrans-72.5-32.2-176.8-170167.2-3.500113.5P244P244-Q247 VanDerWaalsContact CD-OE1 3.23Å; P244-Q247 PolarHBondContact O-N 3.07Å
248Y67.8Low70.1Confident44 Ų4459.8 Ų59.817%0.17333%0.332CS..  trans-127.9125.8174.7-62.6-75.9000110.8S243 C254 K257S243-Y248 WeakPolarHBondContact OG-CD2 3.42Å; S243-Y248 WeakPolarHBondContact OG-CE2 3.15Å; Y248-C254 VanDerWaalsContact CD1-CA 3.42Å; Y248-C254 HydrophobicContact CD1-CB 3.6Å; Y248-C254 HydrophobicContact CD2-CB 4.5Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 HydrophobicContact CG-CB 3.85Å; Y248-K257 HydrophobicContact CD1-CD 4.19Å; Y248-K257 HydrophobicContact CE1-CB 4.1Å; Y248-K257 HydrophobicContact CE1-CD 3.83Å
249R65.8Low70.7Confident235 Ų23563.8 Ų63.889%0.88735%0.348SS*.SBendtrans-77.5-26.3-179.4-160.4176.5175.6-168.4-1.3112.7
250S75.1Confident71.3Confident50 Ų5068 Ų6835%0.3538%0.375SS..SBendtrans-162.5161.3-178.762.30000111.4N253 C254S250-N253 WeakPolarHBondContact O-CB 3.45Å; S250-N253 PolarHBondContact O-N 3.3Å; S250-N253 WeakPolarHBondContact OG-CB 3.24Å; S250-N253 PolarHBondContact OG-N 2.92Å; S250-C254 PolarHBondContact O-N 3.07Å
251V74.1Confident71.7Confident37 Ų3772.6 Ų72.622%0.22440%0.401CS..Hα-helixtrans-57.2-44.4176.41790000112.4P179 V236 F240 N253 C254 A255P179-V251 HydrophobicContact CB-CG1 4.36Å; P179-V251 HydrophobicContact CB-CG2 4.39Å; P179-V251 HydrophobicContact CG-CG2 4.11Å; V236-V251 HydrophobicContact CG1-CG1 3.71Å; F240-V251 HydrophobicContact CD1-CG2 4.01Å; F240-V251 HydrophobicContact CD2-CG2 4.23Å; F240-V251 HydrophobicContact CE1-CG2 4.11Å; F240-V251 HydrophobicContact CE2-CG2 4.33Å; F240-V251 HydrophobicContact CG-CG2 4.06Å; F240-V251 HydrophobicContact CZ-CG2 4.27Å; V251-N253 VanDerWaalsContact C-N 3.34Å; V251-N253 PolarHBondContact O-N 3.09Å; V251-C254 WeakPolarHBondContact O-CB 3.42Å; V251-C254 PolarHBondContact O-N 2.85Å; V251-A255 PolarHBondContact O-N 3.22Å
252P78.9Confident72.2Confident93 Ų9375.2 Ų75.260%0.60441%0.413SS*.Hα-helixtrans-65.7-35.1177.3-20.133.1000113C254 A255 M256P252-C254 VanDerWaalsContact C-N 3.32Å; P252-C254 PolarHBondContact O-N 2.96Å; P252-A255 PolarHBondContact O-N 3.18Å; P252-M256 WeakPolarHBondContact O-CB 3.37Å; P252-M256 PolarHBondContact O-N 2.78Å
253N79.4Confident73Confident56 Ų5674 Ų7430%0.29941%0.411SS..Hα-helixtrans-66.9-35.4175.7-17515.8000111.5S250 V251 K257S250-N253 WeakPolarHBondContact O-CB 3.45Å; S250-N253 PolarHBondContact O-N 3.3Å; S250-N253 WeakPolarHBondContact OG-CB 3.24Å; S250-N253 PolarHBondContact OG-N 2.92Å; V251-N253 VanDerWaalsContact C-N 3.34Å; V251-N253 PolarHBondContact O-N 3.09Å; N253-K257 WeakPolarHBondContact O-CB 3.5Å; N253-K257 PolarHBondContact O-N 2.85Å
254C74.9Confident73.7Confident0 Ų077.3 Ų77.30%043%0.432CS..Hα-helixtrans-63.4-47.9171.5-172.60000111.6Y248 S250 V251 P252 M256 K257 M258Y248-C254 VanDerWaalsContact CD1-CA 3.42Å; Y248-C254 HydrophobicContact CD1-CB 3.6Å; Y248-C254 HydrophobicContact CD2-CB 4.5Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 HydrophobicContact CG-CB 3.85Å; S250-C254 PolarHBondContact O-N 3.07Å; V251-C254 WeakPolarHBondContact O-CB 3.42Å; V251-C254 PolarHBondContact O-N 2.85Å; P252-C254 VanDerWaalsContact C-N 3.32Å; P252-C254 PolarHBondContact O-N 2.96Å; C254-M256 PolarHBondContact O-N 3.26Å; C254-K257 PolarHBondContact O-N 3.35Å; C254-M258 WeakPolarHBondContact O-CB 3.32Å; C254-M258 PolarHBondContact O-N 2.99Å
255A77.7Confident74.4Confident29 Ų2978.4 Ų78.424%0.2444%0.438CS..Hα-helixtrans-60.1-44.9177.100000112.1V236 V251 P252 M258 F259V236-A255 HydrophobicContact CG1-CB 4.33Å; V236-A255 HydrophobicContact CG2-CB 4.04Å; V251-A255 PolarHBondContact O-N 3.22Å; P252-A255 PolarHBondContact O-N 3.18Å; A255-M258 PolarHBondContact O-N 3.33Å; A255-F259 PolarHBondContact O-N 2.99Å
256M79.8Confident74.9Confident122 Ų12273 Ų7360%0.60140%0.402SS*.Hα-helixtrans-62.7-52178.4-172.964.68500111.4P252 C254 M258 F259 T260P252-M256 WeakPolarHBondContact O-CB 3.37Å; P252-M256 PolarHBondContact O-N 2.78Å; C254-M256 PolarHBondContact O-N 3.26Å; M256-M258 PolarHBondContact O-N 3.44Å; M256-F259 WeakPolarHBondContact O-CB 3.17Å; M256-F259 PolarHBondContact O-N 3.48Å; M256-F259 VanDerWaalsContact O-N 3.08Å; M256-T260 PolarHBondContact O-N 3.11Å; M256-T260 PolarHBondContact O-OG1 3.38Å
257K78.1Confident75.3Confident89 Ų8970.5 Ų70.539%0.38737%0.369SS..Hα-helixtrans-57.5-37.6176.7-86.3-175.5177.1-176.50112.7Y248 N253 C254 N261Y248-K257 HydrophobicContact CD1-CD 4.19Å; Y248-K257 HydrophobicContact CE1-CB 4.1Å; Y248-K257 HydrophobicContact CE1-CD 3.83Å; N253-K257 WeakPolarHBondContact O-CB 3.5Å; N253-K257 PolarHBondContact O-N 2.85Å; C254-K257 PolarHBondContact O-N 3.35Å; K257-N261 VanDerWaalsContact O-CB 3.22Å; K257-N261 WeakPolarHBondContact O-CB 3.35Å; K257-N261 VanDerWaalsContact O-CG 3.25Å; K257-N261 PolarHBondContact O-N 3.03Å; K257-N261 PolarHBondContact O-ND2 2.99Å
258M78.6Confident75.5Confident2 Ų271 Ų711%0.0137%0.37CS..Hα-helixtrans-67.1-41.4177.5-168.917073.400111.4V235 V236 R239 C254 A255 M256 E262 A266 F267V235-M258 HydrophobicContact CG1-CE 3.96Å; V235-M258 HydrophobicContact CG1-SD 3.86Å; V236-M258 HydrophobicContact CG2-CE 3.66Å; R239-M258 VanDerWaalsContact CD-SD 3.6Å; C254-M258 WeakPolarHBondContact O-CB 3.32Å; C254-M258 PolarHBondContact O-N 2.99Å; A255-M258 PolarHBondContact O-N 3.33Å; M256-M258 PolarHBondContact O-N 3.44Å; M258-E262 PolarHBondContact O-N 2.83Å; M258-A266 HydrophobicContact CG-CB 4.26Å; M258-F267 HydrophobicContact CB-CZ 4.44Å; M258-F267 HydrophobicContact CE-CD1 3.16Å; M258-F267 HydrophobicContact CE-CD2 4Å; M258-F267 HydrophobicContact CE-CE1 3.04Å; M258-F267 HydrophobicContact CE-CE2 3.88Å; M258-F267 HydrophobicContact CE-CG 3.67Å; M258-F267 HydrophobicContact CE-CZ 3.43Å; M258-F267 VanDerWaalsContact CE-CZ 3.43Å
259F80.8Confident75.4Confident112 Ų11274.9 Ų74.949%0.49139%0.387SS..Hα-helixtrans-62.7-45.7175.6-173.3-95.5000112A255 M256 G263 P264 F267A255-F259 PolarHBondContact O-N 2.99Å; M256-F259 WeakPolarHBondContact O-CB 3.17Å; M256-F259 PolarHBondContact O-N 3.48Å; M256-F259 VanDerWaalsContact O-N 3.08Å; F259-G263 VanDerWaalsContact O-CA 3.32Å; F259-G263 WeakPolarHBondContact O-CA 3.29Å; F259-G263 PolarHBondContact O-N 3.36Å; F259-G263 VanDerWaalsContact O-N 3.16Å; F259-P264 HydrophobicContact CE2-CB 4.13Å; F259-F267 HydrophobicContact CB-CE2 3.98Å; F259-F267 HydrophobicContact CB-CZ 4.07Å; F259-F267 AromaticContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CZ 4.49Å; F259-F267 HydrophobicContact CG-CE2 4.46Å
260T80.4Confident75.3Confident101 Ų10164.6 Ų64.662%0.6236%0.355SS*.Hα-helixtrans-72.2-37-177.7-30.70000113M256M256-T260 PolarHBondContact O-N 3.11Å; M256-T260 PolarHBondContact O-OG1 3.38Å
261N79.3Confident74.9Confident125 Ų12564.4 Ų64.467%0.66835%0.349SS*.Hα-helixtrans-91.6-29.7-172.8-65.3-13.9000114.1K257K257-N261 VanDerWaalsContact O-CB 3.22Å; K257-N261 WeakPolarHBondContact O-CB 3.35Å; K257-N261 VanDerWaalsContact O-CG 3.25Å; K257-N261 PolarHBondContact O-N 3.03Å; K257-N261 PolarHBondContact O-ND2 2.99Å
262E75.1Confident74.5Confident63 Ų6367.9 Ų67.929%0.29437%0.371SS..Hα-helixtrans-123.7-7-173.3-62.8-178.3-142.700114.2R239 M258 A266R239-E262 IonicContact CZ-OE1 3.68Å; R239-E262 IonicContact CZ-OE2 3.23Å; R239-E262 IonicContact NH1-OE1 2.72Å; R239-E262 PolarHBondContact NH1-OE1 2.82Å; R239-E262 IonicContact NH1-OE2 3.2Å; R239-E262 IonicContact NH2-OE1 3.57Å; R239-E262 PolarHBondContact NH2-OE1 3.23Å; R239-E262 IonicContact NH2-OE2 2.93Å; R239-E262 PolarHBondContact NH2-OE2 3.44Å; M258-E262 PolarHBondContact O-N 2.83Å; E262-A266 HydrophobicContact CB-CB 3.6Å
263G79.1Confident73.9Confident19 Ų1964.6 Ų64.620%0.19635%0.349CS..  trans77.2175.7178.700000115F259 T265 A266F259-G263 VanDerWaalsContact O-CA 3.32Å; F259-G263 WeakPolarHBondContact O-CA 3.29Å; F259-G263 PolarHBondContact O-N 3.36Å; F259-G263 VanDerWaalsContact O-N 3.16Å; G263-T265 VanDerWaalsContact C-N 3.29Å; G263-T265 PolarHBondContact O-N 2.85Å; G263-A266 WeakPolarHBondContact O-CB 3.47Å; G263-A266 PolarHBondContact O-N 2.88Å
264P76.3Confident73.2Confident79 Ų7962.3 Ų62.351%0.51334%0.337SS..G310 helixtrans-66.8-26.5-174.625-33.6000113.6F259 A266 F267F259-P264 HydrophobicContact CE2-CB 4.13Å; P264-A266 PolarHBondContact O-N 3.32Å; P264-F267 WeakPolarHBondContact O-CD2 3.42Å; P264-F267 PolarHBondContact O-N 3.01Å
265T73.6Confident72.9Confident99 Ų9966.8 Ų66.861%0.60736%0.357SS*.G310 helixtrans-67-19.7177.450.40000113.1G263 F267 F268 K269G263-T265 VanDerWaalsContact C-N 3.29Å; G263-T265 PolarHBondContact O-N 2.85Å; T265-F267 VanDerWaalsContact C-N 3.28Å; T265-F267 PolarHBondContact O-N 3.43Å; T265-F268 PolarHBondContact O-N 3.33Å; T265-K269 PolarHBondContact O-N 2.85Å
266A69Low72.5Confident0 Ų070 Ų700%037%0.37CS..G310 helixtrans-65.8-30.5178.200000112.8M258 E262 G263 P264 F268 K269M258-A266 HydrophobicContact CG-CB 4.26Å; E262-A266 HydrophobicContact CB-CB 3.6Å; G263-A266 WeakPolarHBondContact O-CB 3.47Å; G263-A266 PolarHBondContact O-N 2.88Å; P264-A266 PolarHBondContact O-N 3.32Å; A266-F268 PolarHBondContact O-N 3.09Å; A266-K269 WeakPolarHBondContact O-CB 3.35Å; A266-K269 PolarHBondContact O-N 2.73Å
267F71.4Confident72Confident29 Ų2966.9 Ų66.913%0.12735%0.351CS..G310 helixtrans-69.1-21.9178.5-67-93.4000113.3P232 V235 V236 M258 F259 P264 T265P232-F267 HydrophobicContact CB-CB 4.15Å; P232-F267 HydrophobicContact CB-CD1 3.88Å; P232-F267 HydrophobicContact CB-CG 4.42Å; P232-F267 HydrophobicContact CG-CB 4.45Å; V235-F267 WeakPolarHBondContact CG2-O 3.43Å; V236-F267 HydrophobicContact CG2-CD1 4.27Å; V236-F267 HydrophobicContact CG2-CE1 3.88Å; M258-F267 HydrophobicContact CB-CZ 4.44Å; M258-F267 HydrophobicContact CE-CD1 3.16Å; M258-F267 HydrophobicContact CE-CD2 4Å; M258-F267 HydrophobicContact CE-CE1 3.04Å; M258-F267 HydrophobicContact CE-CE2 3.88Å; M258-F267 HydrophobicContact CE-CG 3.67Å; M258-F267 HydrophobicContact CE-CZ 3.43Å; M258-F267 VanDerWaalsContact CE-CZ 3.43Å; F259-F267 HydrophobicContact CB-CE2 3.98Å; F259-F267 HydrophobicContact CB-CZ 4.07Å; F259-F267 AromaticContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CZ 4.49Å; F259-F267 HydrophobicContact CG-CE2 4.46Å; P264-F267 WeakPolarHBondContact O-CD2 3.42Å; P264-F267 PolarHBondContact O-N 3.01Å; T265-F267 VanDerWaalsContact C-N 3.28Å; T265-F267 PolarHBondContact O-N 3.43Å
268F70.8Confident71.4Confident107 Ų10764.8 Ų64.847%0.46934%0.344SS..G310 helixtrans-100.4-2.2178.3-65.1-81.1000113.1T265 A266 G270 L271T265-F268 PolarHBondContact O-N 3.33Å; A266-F268 PolarHBondContact O-N 3.09Å; F268-G270 PolarHBondContact O-N 3.05Å; F268-L271 HydrophobicContact CD1-CD2 4.31Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 2.96Å
269K65.2Low70.9Confident125 Ų12566.2 Ų66.254%0.54336%0.359SS..THydrogen-bonded Turntrans-64109.6172.9-75.4-179.7-178.1168.80109.1T265 A266T265-K269 PolarHBondContact O-N 2.85Å; A266-K269 WeakPolarHBondContact O-CB 3.35Å; A266-K269 PolarHBondContact O-N 2.73Å
270G63.4Low70.5Confident20 Ų2062.2 Ų62.221%0.20635%0.345CS..THydrogen-bonded Turntrans106.72.1-177.600000115F268 P273 S274F268-G270 PolarHBondContact O-N 3.05Å; G270-P273 WeakPolarHBondContact O-CD 3.35Å; G270-S274 VanDerWaalsContact O-CB 3.28Å; G270-S274 WeakPolarHBondContact O-CB 3.26Å; G270-S274 PolarHBondContact O-N 3.25Å; G270-S274 PolarHBondContact O-OG 3.34Å
271L67.1Low70.2Confident45 Ų4560.1 Ų60.124%0.23633%0.326CS..Hα-helixtrans-57.4-50.9172.9179.370.5000111.3T227 S231 F268 S274 F275T227-L271 HydrophobicContact CG2-CD1 4.44Å; S231-L271 WeakPolarHBondContact OG-CD1 3.48Å; F268-L271 HydrophobicContact CD1-CD2 4.31Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 2.96Å; L271-S274 WeakPolarHBondContact O-CA 3.42Å; L271-S274 WeakPolarHBondContact O-CB 3.27Å; L271-S274 PolarHBondContact O-N 3.31Å; L271-F275 WeakPolarHBondContact O-CB 3.45Å; L271-F275 PolarHBondContact O-N 2.91Å
272V66.6Low69.7Low111 Ų11156.7 Ų56.767%0.67331%0.308SS*.Hα-helixtrans-59.5-50.9-179.9173.60000112.1S274 F275 L276V272-S274 VanDerWaalsContact C-N 3.27Å; V272-S274 PolarHBondContact O-N 3.43Å; V272-F275 PolarHBondContact O-N 2.99Å; V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 PolarHBondContact O-N 3.14Å
273P64.7Low69.6Low24 Ų2458.1 Ų58.116%0.15632%0.32CS..Hα-helixtrans-56-38.3171.1-2529.3000113.9V58 G270 R277V58-P273 HydrophobicContact CG2-CB 3.68Å; V58-P273 HydrophobicContact CG2-CG 3.63Å; G270-P273 WeakPolarHBondContact O-CD 3.35Å; P273-R277 WeakPolarHBondContact O-CB 3.45Å; P273-R277 PolarHBondContact O-N 3Å
274S66.1Low69.4Low7 Ų759.1 Ų59.15%0.04932%0.321CS..Hα-helixtrans-68.8-43.6-179.2-61.20000112.1K38 G270 L271 V272 L278K38-S274 WeakPolarHBondContact CE-OG 3.15Å; K38-S274 PolarHBondContact NZ-OG 3.43Å; G270-S274 VanDerWaalsContact O-CB 3.28Å; G270-S274 WeakPolarHBondContact O-CB 3.26Å; G270-S274 PolarHBondContact O-N 3.25Å; G270-S274 PolarHBondContact O-OG 3.34Å; L271-S274 WeakPolarHBondContact O-CA 3.42Å; L271-S274 WeakPolarHBondContact O-CB 3.27Å; L271-S274 PolarHBondContact O-N 3.31Å; V272-S274 VanDerWaalsContact C-N 3.27Å; V272-S274 PolarHBondContact O-N 3.43Å; S274-L278 WeakPolarHBondContact O-CB 3.07Å; S274-L278 PolarHBondContact O-N 2.64Å
275F69.1Low69.4Low94 Ų9457.5 Ų57.541%0.41231%0.307SS..Hα-helixtrans-66.8-46176.5-178.3-107.5000111.3F224 L271 V272 R277 L278 G279F224-F275 HydrophobicContact CB-CE2 4.43Å; F224-F275 AromaticContact CD2-CD2 3.78Å; F224-F275 HydrophobicContact CD2-CD2 3.78Å; F224-F275 AromaticContact CD2-CE2 3.49Å; F224-F275 HydrophobicContact CD2-CE2 3.49Å; F224-F275 VanDerWaalsContact CD2-CE2 3.49Å; F224-F275 AromaticContact CD2-CZ 4Å; F224-F275 HydrophobicContact CD2-CZ 4Å; F224-F275 HydrophobicContact CE2-CD2 4.29Å; F224-F275 HydrophobicContact CE2-CE2 4.25Å; F224-F275 HydrophobicContact CG-CE2 4.43Å; L271-F275 WeakPolarHBondContact O-CB 3.45Å; L271-F275 PolarHBondContact O-N 2.91Å; V272-F275 PolarHBondContact O-N 2.99Å; F275-R277 VanDerWaalsContact C-N 3.28Å; F275-R277 PolarHBondContact O-N 2.92Å; F275-L278 PolarHBondContact O-N 2.85Å; F275-L278 VanDerWaalsContact O-N 3.15Å; F275-G279 PolarHBondContact O-N 2.89Å
276L68.1Low69.3Low96 Ų9658.5 Ų58.550%0.50330%0.303SS..Hα-helixtrans-59.7-41.4177.9-158.6107.6000111.4V272 S280V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 PolarHBondContact O-N 3.14Å; L276-S280 VanDerWaalsContact O-CB 3.29Å; L276-S280 WeakPolarHBondContact O-CB 3.15Å; L276-S280 PolarHBondContact O-N 3.03Å; L276-S280 PolarHBondContact O-OG 3.35Å
277R68.9Low69.6Low57 Ų5762.1 Ų62.122%0.21533%0.325CS..Hα-helixtrans-64-45.3174.8-175.1-159.690.288.74.1112D35 P273 F275 S280 W281D35-R277 WeakPolarHBondContact OD1-CD 3.5Å; D35-R277 WeakPolarHBondContact OD1-CG 3.43Å; D35-R277 IonicContact OD1-CZ 3.69Å; D35-R277 IonicContact OD1-NE 3.82Å; D35-R277 IonicContact OD1-NH1 3.07Å; D35-R277 PolarHBondContact OD1-NH1 3.43Å; D35-R277 IonicContact OD2-NH1 2.78Å; P273-R277 WeakPolarHBondContact O-CB 3.45Å; P273-R277 PolarHBondContact O-N 3Å; F275-R277 VanDerWaalsContact C-N 3.28Å; F275-R277 PolarHBondContact O-N 2.92Å; R277-S280 WeakPolarHBondContact CA-OG 3.2Å; R277-S280 PolarHBondContact O-OG 3.11Å; R277-W281 WeakPolarHBondContact O-CB 3.47Å; R277-W281 PolarHBondContact O-N 2.71Å
278L66.6Low69.7Low46 Ų4661.9 Ų61.924%0.24133%0.327CS..Hα-helixtrans-63.1-46.1178.9-152.6100.7000110.8S274 F275 W281 N282S274-L278 WeakPolarHBondContact O-CB 3.07Å; S274-L278 PolarHBondContact O-N 2.64Å; F275-L278 PolarHBondContact O-N 2.85Å; F275-L278 VanDerWaalsContact O-N 3.15Å; L278-W281 PolarHBondContact O-N 3.01Å; L278-N282 WeakPolarHBondContact O-CB 3.39Å; L278-N282 PolarHBondContact O-N 3.29Å
279G67.3Low69.9Low31 Ų3159 Ų5932%0.3231%0.314SS..Hα-helixtrans-62.2-50.2176.300000112.1F275 W281 N282 V283F275-G279 PolarHBondContact O-N 2.89Å; G279-W281 VanDerWaalsContact C-N 3.33Å; G279-W281 PolarHBondContact O-N 3.42Å; G279-N282 PolarHBondContact O-N 2.97Å; G279-V283 VanDerWaalsContact O-CG2 3.29Å; G279-V283 WeakPolarHBondContact O-CG2 3.4Å; G279-V283 PolarHBondContact O-N 2.94Å
280S72.1Confident70.3Confident28 Ų2859 Ų5920%0.19632%0.316CS..Hα-helixtrans-61.5-41.7178.662.70000112.1L276 R277 I284L276-S280 VanDerWaalsContact O-CB 3.29Å; L276-S280 WeakPolarHBondContact O-CB 3.15Å; L276-S280 PolarHBondContact O-N 3.03Å; L276-S280 PolarHBondContact O-OG 3.35Å; R277-S280 WeakPolarHBondContact CA-OG 3.2Å; R277-S280 PolarHBondContact O-OG 3.11Å; S280-I284 WeakPolarHBondContact O-CB 3.12Å; S280-I284 VanDerWaalsContact O-CD1 3.29Å; S280-I284 WeakPolarHBondContact O-CD1 3.22Å; S280-I284 WeakPolarHBondContact O-CG1 3.2Å; S280-I284 PolarHBondContact O-N 3.48Å
281W74.6Confident71.1Confident57 Ų5762.7 Ų62.722%0.21633%0.328CS..Hα-helixtrans-65.1-46.5179.7-176.690.9000111.6A24 D28 T31 R277 L278 G279 I284 M285A24-W281 HydrophobicContact CB-CZ2 4.44Å; D28-W281 PolarHBondContact OD1-NE1 2.91Å; T31-W281 HydrophobicContact CG2-CB 4.2Å; R277-W281 WeakPolarHBondContact O-CB 3.47Å; R277-W281 PolarHBondContact O-N 2.71Å; L278-W281 PolarHBondContact O-N 3.01Å; G279-W281 VanDerWaalsContact C-N 3.33Å; G279-W281 PolarHBondContact O-N 3.42Å; W281-I284 PolarHBondContact O-N 3.03Å; W281-M285 HydrophobicContact CH2-CG 4.49Å; W281-M285 HydrophobicContact CH2-SD 3.43Å; W281-M285 WeakPolarHBondContact CH2-SD 3.42Å; W281-M285 HydrophobicContact CZ2-SD 4.16Å; W281-M285 HydrophobicContact CZ3-SD 3.69Å; W281-M285 VanDerWaalsContact O-CB 3.3Å; W281-M285 WeakPolarHBondContact O-CB 3.45Å; W281-M285 PolarHBondContact O-N 3.23Å
282N69.9Low71.6Confident54 Ų5463 Ų6329%0.28933%0.33SS..Hα-helixtrans-60.7-48.5177.3-82.2-20.2000111.5L278 G279 I284 M285 F286L278-N282 WeakPolarHBondContact O-CB 3.39Å; L278-N282 PolarHBondContact O-N 3.29Å; G279-N282 PolarHBondContact O-N 2.97Å; N282-I284 VanDerWaalsContact C-N 3.35Å; N282-I284 PolarHBondContact O-N 3.22Å; N282-M285 PolarHBondContact O-N 3.25Å; N282-F286 VanDerWaalsContact O-CD2 3.28Å; N282-F286 WeakPolarHBondContact O-CD2 3.28Å; N282-F286 PolarHBondContact O-N 2.91Å
283V72.2Confident71.9Confident93 Ų9362.4 Ų62.456%0.56432%0.318SS*.Hα-helixtrans-59-47.3-179.9171.90000110.9G279 F286 V287G279-V283 VanDerWaalsContact O-CG2 3.29Å; G279-V283 WeakPolarHBondContact O-CG2 3.4Å; G279-V283 PolarHBondContact O-N 2.94Å; V283-F286 PolarHBondContact O-N 3.17Å; V283-V287 HydrophobicContact CG1-CG2 4.46Å; V283-V287 WeakPolarHBondContact O-CB 3.41Å; V283-V287 VanDerWaalsContact O-CG2 3.27Å; V283-V287 WeakPolarHBondContact O-CG2 3.4Å; V283-V287 PolarHBondContact O-N 3.4Å
284I75.2Confident72.5Confident39 Ų3968.6 Ų68.620%0.234%0.338CS..Hα-helixtrans-66.2-42.6-179.3-65162.1000110.9A27 I30 T31 S280 W281 N282 F286 V287 C288A27-I284 HydrophobicContact CB-CB 4.28Å; A27-I284 HydrophobicContact CB-CG2 3.86Å; I30-I284 HydrophobicContact CB-CD1 4.3Å; I30-I284 HydrophobicContact CB-CG2 4.46Å; I30-I284 HydrophobicContact CD1-CG2 3.82Å; I30-I284 HydrophobicContact CG2-CD1 3.68Å; T31-I284 HydrophobicContact CG2-CD1 3.64Å; S280-I284 WeakPolarHBondContact O-CB 3.12Å; S280-I284 VanDerWaalsContact O-CD1 3.29Å; S280-I284 WeakPolarHBondContact O-CD1 3.22Å; S280-I284 WeakPolarHBondContact O-CG1 3.2Å; S280-I284 PolarHBondContact O-N 3.48Å; W281-I284 PolarHBondContact O-N 3.03Å; N282-I284 VanDerWaalsContact C-N 3.35Å; N282-I284 PolarHBondContact O-N 3.22Å; I284-F286 PolarHBondContact O-N 3.43Å; I284-V287 PolarHBondContact O-N 3.24Å; I284-C288 WeakPolarHBondContact O-CB 3.42Å; I284-C288 PolarHBondContact O-N 2.94Å; I284-C288 PolarHBondContact O-SG 3.5Å; I284-C288 VanDerWaalsContact O-SG 3.36Å
285M75.1Confident73.1Confident45 Ų4573 Ų7322%0.22236%0.358CS..Hα-helixtrans-58.6-49176.8-178-163.3168.200111.3A27 W281 N282 C288 F289A27-M285 HydrophobicContact CB-CB 4.12Å; W281-M285 HydrophobicContact CH2-CG 4.49Å; W281-M285 HydrophobicContact CH2-SD 3.43Å; W281-M285 WeakPolarHBondContact CH2-SD 3.42Å; W281-M285 HydrophobicContact CZ2-SD 4.16Å; W281-M285 HydrophobicContact CZ3-SD 3.69Å; W281-M285 VanDerWaalsContact O-CB 3.3Å; W281-M285 WeakPolarHBondContact O-CB 3.45Å; W281-M285 PolarHBondContact O-N 3.23Å; N282-M285 PolarHBondContact O-N 3.25Å; M285-C288 PolarHBondContact O-N 3.39Å; M285-F289 VanDerWaalsContact O-CB 3.26Å; M285-F289 WeakPolarHBondContact O-CB 3.21Å; M285-F289 PolarHBondContact O-N 3.05Å
286F72.4Confident73.3Confident120 Ų12072.4 Ų72.453%0.52636%0.359SS..Hα-helixtrans-64.2-45.4-179.3-88.4-72.6000112N282 V283 I284 C288 F289 E290N282-F286 VanDerWaalsContact O-CD2 3.28Å; N282-F286 WeakPolarHBondContact O-CD2 3.28Å; N282-F286 PolarHBondContact O-N 2.91Å; V283-F286 PolarHBondContact O-N 3.17Å; I284-F286 PolarHBondContact O-N 3.43Å; F286-C288 PolarHBondContact O-N 2.67Å; F286-F289 PolarHBondContact O-N 3.21Å; F286-E290 WeakPolarHBondContact O-CG 3.2Å; F286-E290 PolarHBondContact O-N 3.24Å
287V74.3Confident73.5Confident76 Ų7670.9 Ų70.946%0.46136%0.356SS..Hα-helixtrans-60.2-47.4176.7171.60000110.7V283 I284 F289 E290 Q291V283-V287 HydrophobicContact CG1-CG2 4.46Å; V283-V287 WeakPolarHBondContact O-CB 3.41Å; V283-V287 VanDerWaalsContact O-CG2 3.27Å; V283-V287 WeakPolarHBondContact O-CG2 3.4Å; V283-V287 PolarHBondContact O-N 3.4Å; I284-V287 PolarHBondContact O-N 3.24Å; V287-F289 VanDerWaalsContact C-N 3.32Å; V287-F289 PolarHBondContact O-N 3.11Å; V287-E290 PolarHBondContact O-N 2.74Å; V287-Q291 HydrophobicContact CG1-CG 4.49Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.2Å; V287-Q291 PolarHBondContact O-N 3.3Å
288C75.3Confident73.8Confident25 Ų2572.1 Ų72.117%0.16936%0.363CS..Hα-helixtrans-61.9-40.9177.2-74.10000112.1A23 I284 M285 F286 L292A23-C288 HydrophobicContact CB-CB 3.81Å; I284-C288 WeakPolarHBondContact O-CB 3.42Å; I284-C288 PolarHBondContact O-N 2.94Å; I284-C288 PolarHBondContact O-SG 3.5Å; I284-C288 VanDerWaalsContact O-SG 3.36Å; M285-C288 PolarHBondContact O-N 3.39Å; F286-C288 PolarHBondContact O-N 2.67Å; C288-L292 WeakPolarHBondContact O-CB 3.27Å; C288-L292 WeakPolarHBondContact O-CD1 3.41Å; C288-L292 WeakPolarHBondContact O-CG 3.47Å; C288-L292 PolarHBondContact O-N 3.3Å
289F73.4Confident74Confident47 Ų4773.4 Ų73.421%0.20638%0.376CS..Hα-helixtrans-64.2-45178.1178.3-103.4000112.3A20 A23 M285 F286 V287 L292 K293A20-F289 HydrophobicContact CB-CD2 4.13Å; A20-F289 HydrophobicContact CB-CE2 4.13Å; A23-F289 HydrophobicContact CB-CB 4.1Å; M285-F289 VanDerWaalsContact O-CB 3.26Å; M285-F289 WeakPolarHBondContact O-CB 3.21Å; M285-F289 PolarHBondContact O-N 3.05Å; F286-F289 PolarHBondContact O-N 3.21Å; V287-F289 VanDerWaalsContact C-N 3.32Å; V287-F289 PolarHBondContact O-N 3.11Å; F289-L292 PolarHBondContact O-N 3.04Å; F289-K293 WeakPolarHBondContact O-CB 3.33Å; F289-K293 PolarHBondContact O-N 2.87Å
290E74.1Confident73.8Confident125 Ų12578.1 Ų78.158%0.58438%0.384SS*.Hα-helixtrans-64-42177.7-75.7-173.7168.100112.3F286 V287 K293 R294F286-E290 WeakPolarHBondContact O-CG 3.2Å; F286-E290 PolarHBondContact O-N 3.24Å; V287-E290 PolarHBondContact O-N 2.74Å; E290-K293 PolarHBondContact O-N 3.29Å; E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 PolarHBondContact O-N 3.4Å
291Q79.6Confident73.4Confident96 Ų9683.5 Ų83.545%0.44941%0.406SS..Hα-helixtrans-64.7-44.1176.6-64.2-62.8-12.100111.3V287 K293 R294 E295V287-Q291 HydrophobicContact CG1-CG 4.49Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.2Å; V287-Q291 PolarHBondContact O-N 3.3Å; Q291-K293 PolarHBondContact O-N 3.21Å; Q291-R294 PolarHBondContact O-N 2.84Å; Q291-E295 WeakPolarHBondContact O-CG 3.31Å; Q291-E295 PolarHBondContact O-N 3.27Å
292L77.6Confident73Confident52 Ų5285.4 Ų85.427%0.27242%0.424SS..Hα-helixtrans-60.6-43.6175-86.8158.4000112I22 A23 C288 F289 E295 L296I22-L292 HydrophobicContact CB-CD1 4.3Å; I22-L292 HydrophobicContact CG2-CD1 4.02Å; A23-L292 HydrophobicContact CB-CD1 4.04Å; C288-L292 WeakPolarHBondContact O-CB 3.27Å; C288-L292 WeakPolarHBondContact O-CD1 3.41Å; C288-L292 WeakPolarHBondContact O-CG 3.47Å; C288-L292 PolarHBondContact O-N 3.3Å; F289-L292 PolarHBondContact O-N 3.04Å; L292-E295 PolarHBondContact O-N 3.18Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.3Å; L292-L296 PolarHBondContact O-N 3.47Å
293K72.9Confident72.4Confident99 Ų9989.2 Ų89.243%0.4344%0.442SS..Hα-helixtrans-61.3-44.9176.6-173.5-179.5176-172.80111F289 E290 Q291 E295 L296 S297F289-K293 WeakPolarHBondContact O-CB 3.33Å; F289-K293 PolarHBondContact O-N 2.87Å; E290-K293 PolarHBondContact O-N 3.29Å; Q291-K293 PolarHBondContact O-N 3.21Å; K293-E295 PolarHBondContact O-N 2.87Å; K293-L296 PolarHBondContact O-N 3.48Å; K293-S297 PolarHBondContact O-N 3.03Å; K293-S297 PolarHBondContact O-OG 3.41Å; K293-S297 VanDerWaalsContact O-OG 3.1Å
294R77.6Confident71.9Confident154 Ų15489.9 Ų89.958%0.58144%0.442SS*.Hα-helixtrans-61.6-43.5179.1-171179.1-176.1-167.62.3112.1E290 Q291 S297 K298E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 PolarHBondContact O-N 3.4Å; Q291-R294 PolarHBondContact O-N 2.84Å; R294-S297 PolarHBondContact O-N 3.46Å; R294-K298 WeakPolarHBondContact O-CG 3.31Å; R294-K298 PolarHBondContact O-N 3.41Å; R294-K298 VanDerWaalsContact O-N 3.08Å
295E78Confident70.9Confident100 Ų10093.5 Ų93.547%0.46747%0.469SS..Hα-helixtrans-68.6-39.4178.2-69.4-54.3130.400112.4Q291 L292 K293 S297 K298 S299Q291-E295 WeakPolarHBondContact O-CG 3.31Å; Q291-E295 PolarHBondContact O-N 3.27Å; L292-E295 PolarHBondContact O-N 3.18Å; K293-E295 PolarHBondContact O-N 2.87Å; E295-S297 PolarHBondContact O-N 2.96Å; E295-K298 PolarHBondContact O-N 3.43Å; E295-K298 IonicContact OE1-NZ 2.74Å; E295-K298 PolarHBondContact OE1-NZ 3.44Å; E295-S299 WeakPolarHBondContact O-CB 3.45Å; E295-S299 PolarHBondContact O-N 3.29Å
296L73.5Confident69.9Low80 Ų8095.5 Ų95.542%0.41949%0.493SS..Hα-helixtrans-64.1-40.3174.4-73.4167.1000112.3I15 L292 K293 S299 R300I15-L296 HydrophobicContact CG2-CD1 3.8Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.3Å; L292-L296 PolarHBondContact O-N 3.47Å; K293-L296 PolarHBondContact O-N 3.48Å; L296-S299 PolarHBondContact O-N 3.43Å; L296-R300 PolarHBondContact O-N 3.07Å
297S73.3Confident68.7Low65 Ų6598 Ų9846%0.45552%0.519SS..Hα-helixtrans-63-42.5174.9-65.40000112.3K293 R294 E295 R300 Q301K293-S297 PolarHBondContact O-N 3.03Å; K293-S297 PolarHBondContact O-OG 3.41Å; K293-S297 VanDerWaalsContact O-OG 3.1Å; R294-S297 PolarHBondContact O-N 3.46Å; E295-S297 PolarHBondContact O-N 2.96Å; S297-R300 PolarHBondContact O-N 3.06Å; S297-Q301 WeakPolarHBondContact O-CG 3.28Å; S297-Q301 PolarHBondContact O-N 3.3Å; S297-Q301 VanDerWaalsContact O-N 3.16Å
298K74.6Confident68.4Low82 Ų8299.2 Ų99.236%0.35752%0.522SS..Hα-helixtrans-62.5-47.3174.4-72.2173.5-174.9170.10111.5R294 E295 R300 Q301 T302R294-K298 WeakPolarHBondContact O-CG 3.31Å; R294-K298 PolarHBondContact O-N 3.41Å; R294-K298 VanDerWaalsContact O-N 3.08Å; E295-K298 PolarHBondContact O-N 3.43Å; E295-K298 IonicContact OE1-NZ 2.74Å; E295-K298 PolarHBondContact OE1-NZ 3.44Å; K298-R300 PolarHBondContact O-N 2.94Å; K298-Q301 PolarHBondContact O-N 3.48Å; K298-T302 PolarHBondContact O-N 3.37Å; K298-T302 PolarHBondContact O-OG1 3.17Å
299S70.2Confident68Low73 Ų73103.1 Ų103.151%0.5154%0.54SS..Hα-helixtrans-64-30.9-177.7-155.20000112.6E295 L296 M303E295-S299 WeakPolarHBondContact O-CB 3.45Å; E295-S299 PolarHBondContact O-N 3.29Å; L296-S299 PolarHBondContact O-N 3.43Å; S299-M303 PolarHBondContact O-N 2.6Å
300R64.8Low67.7Low131 Ų131106.2 Ų106.249%0.49456%0.559SS.*Hα-helixtrans-71.3-42.9173.8-164.9174.7-166.7176.34.7112.2L296 S297 K298 T302 M303 D304L296-R300 PolarHBondContact O-N 3.07Å; S297-R300 PolarHBondContact O-N 3.06Å; K298-R300 PolarHBondContact O-N 2.94Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-T302 PolarHBondContact O-N 2.93Å; R300-M303 PolarHBondContact O-N 2.88Å; R300-M303 VanDerWaalsContact O-N 3.16Å; R300-D304 PolarHBondContact O-N 2.98Å
301Q62.8Low67.3Low140 Ų140105.1 Ų105.165%0.65456%0.558SS**Hα-helixtrans-60-37.5173.8-74.8177.5-22.500112.3S297 K298 C305S297-Q301 WeakPolarHBondContact O-CG 3.28Å; S297-Q301 PolarHBondContact O-N 3.3Å; S297-Q301 VanDerWaalsContact O-N 3.16Å; K298-Q301 PolarHBondContact O-N 3.48Å; Q301-C305 VanDerWaalsContact O-CB 3.28Å; Q301-C305 WeakPolarHBondContact O-CB 3.13Å; Q301-C305 PolarHBondContact O-N 2.89Å
302T66.8Low66.6Low97 Ų97105.6 Ų105.660%0.59556%0.564SS**Hα-helixtrans-67.4-35.7176.1-43.80000112.5K298 R300 A306K298-T302 PolarHBondContact O-N 3.37Å; K298-T302 PolarHBondContact O-OG1 3.17Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-T302 PolarHBondContact O-N 2.93Å; T302-A306 WeakPolarHBondContact O-CB 3.34Å; T302-A306 PolarHBondContact O-N 3.43Å
303M56.8Low65.8Low134 Ų134109.2 Ų109.266%0.6658%0.584SS**Hα-helixtrans-71.2-43.2175.2-81.5-179.360.400112.5S299 R300 C305 A306 T307S299-M303 PolarHBondContact O-N 2.6Å; R300-M303 PolarHBondContact O-N 2.88Å; R300-M303 VanDerWaalsContact O-N 3.16Å; M303-C305 PolarHBondContact O-N 3.28Å; M303-A306 PolarHBondContact O-N 3.2Å; M303-A306 VanDerWaalsContact O-N 3.16Å; M303-T307 PolarHBondContact O-N 3.43Å; M303-T307 PolarHBondContact O-OG1 3.21Å
304D61.8Low65.3Low108 Ų108109.9 Ų109.958%0.57860%0.595SS**Hα-helixtrans-67.8-26.2179.1-66.1-23.3000111.9R300R300-D304 PolarHBondContact O-N 2.98Å
305C53.8Low64.4Low114 Ų114106.5 Ų106.577%0.7760%0.596SS**THydrogen-bonded Turntrans-84-11.3175.7-158.60000113.6Q301 M303Q301-C305 VanDerWaalsContact O-CB 3.28Å; Q301-C305 WeakPolarHBondContact O-CB 3.13Å; Q301-C305 PolarHBondContact O-N 2.89Å; M303-C305 PolarHBondContact O-N 3.28Å
306A54.6Low63.2Low87 Ų87107.1 Ų107.172%0.71961%0.607SS**  trans-100.50.2179.800000113.5T302 M303T302-A306 WeakPolarHBondContact O-CB 3.34Å; T302-A306 PolarHBondContact O-N 3.43Å; M303-A306 PolarHBondContact O-N 3.2Å; M303-A306 VanDerWaalsContact O-N 3.16Å
307T46.1Very low62.3Low174 Ų174109.5 Ų109.5100%1.06762%0.624SS**  trans-111.50178.9-39.70000109.8M303M303-T307 PolarHBondContact O-N 3.43Å; M303-T307 PolarHBondContact O-OG1 3.21Å

Retrieved 307 of 307 residues in 50.8 ms (Link to these results)