A0A096MPB1_PAPAN Loading...

G protein-coupled receptor 82

AlphaFold DB (A0A2K5UIV4), UniProt , Accession A0A096MPB1, Species PAPAN (Papio anubis, Olive baboon), Gene GPR82, Length 336 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
1M30.4Very low59.3Low231 Ų231100.7 Ų100.7100%1.13855%0.55SS*.  088.50-72.6170.716500106.9N3M1-N3 PolarHBondContact O-N 3.41Å
2N32.3Very low61.4Low153 Ų153103.6 Ų103.682%0.81856%0.559SS**  trans-75.1102.9174-82.22.1000106.8N4N2-N4 VanDerWaalsContact C-N 3.33Å; N2-N4 PolarHBondContact O-N 3.32Å
3N35.1Very low63.2Low138 Ų138101.2 Ų101.274%0.73855%0.545SS*.  trans-64102.7165-81.2-12.1000106.6M1 T5M1-N3 PolarHBondContact O-N 3.41Å; N3-T5 PolarHBondContact O-N 3.47Å; N3-T5 PolarHBondContact O-OG1 3.39Å
4N44Very low64.7Low155 Ų15594.1 Ų94.183%0.82951%0.507SS*.  trans-67.561167.8-76.9-3.2000109.5N2 T6N2-N4 VanDerWaalsContact C-N 3.33Å; N2-N4 PolarHBondContact O-N 3.32Å; N4-T6 PolarHBondContact O-N 3.08Å
5T55.1Low66.1Low106 Ų10690.1 Ų90.165%0.6549%0.489SS*.  trans-75.1109166.628.10000107.4N3 C7N3-T5 PolarHBondContact O-N 3.47Å; N3-T5 PolarHBondContact O-OG1 3.39Å; T5-C7 PolarHBondContact O-N 3.05Å
6T65.8Low67.5Low69 Ų6990.7 Ų90.742%0.42349%0.489SS..  trans-49.9125.4166.447.40000108.7N4 I8N4-T6 PolarHBondContact O-N 3.08Å; T6-I8 PolarHBondContact O-N 3.42Å; T6-I8 VanDerWaalsContact O-N 3.14Å
7C75.4Confident69Low32 Ų3287.5 Ų87.522%0.21648%0.478CS..SBendtrans-60-26.7-175.1-177.50000112.2T5 C281 N285T5-C7 PolarHBondContact O-N 3.05Å; C7-C281 HydrophobicContact CB-CB 4.14Å; C7-C281 WeakPolarHBondContact CB-SG 3.41Å; C7-C281 WeakPolarHBondContact SG-CA 3.46Å; C7-C281 WeakPolarHBondContact SG-CB 3.29Å; C7-C281 CovalentContact SG-SG 2.03Å; C7-C281 PolarHBondContact SG-SG 3.38Å; C7-N285 PolarHBondContact O-ND2 3.12Å
8I78.3Confident70.4Confident7 Ų782.8 Ų82.84%0.03645%0.452CS..  trans-93.1126.2-178.2-65-177.2000111.1T6 Y188 R190 N285 I288T6-I8 PolarHBondContact O-N 3.42Å; T6-I8 VanDerWaalsContact O-N 3.14Å; I8-Y188 HydrophobicContact CG2-CD1 3.64Å; I8-Y188 HydrophobicContact CG2-CE1 3.29Å; I8-R190 HydrophobicContact CD1-CB 3.66Å; I8-R190 HydrophobicContact CD1-CG 4.27Å; I8-R190 VanDerWaalsContact CD1-N 3.35Å; I8-N285 VanDerWaalsContact CA-OD1 3.29Å; I8-N285 WeakPolarHBondContact CA-OD1 3.34Å; I8-I288 HydrophobicContact CD1-CD1 3.65Å; I8-I288 HydrophobicContact CG1-CD1 4.19Å
9Q78.9Confident71.7Confident125 Ų12578.6 Ų78.658%0.58443%0.429SS*.  trans-128.3137.3178.8-65.7-170.6-39.100111S11 N285Q9-S11 PolarHBondContact O-N 3.24Å; Q9-N285 PolarHBondContact N-OD1 3Å
10P73.7Confident72.9Confident61 Ų6179.7 Ų79.740%0.39643%0.433SS..  trans-66.1127.8174.714.2-13.3000110.6F79P10-F79 HydrophobicContact CB-CD2 4.12Å; P10-F79 HydrophobicContact CB-CE1 3.93Å; P10-F79 HydrophobicContact CB-CE2 3.44Å; P10-F79 VanDerWaalsContact CB-CE2 3.44Å; P10-F79 HydrophobicContact CB-CZ 3.3Å; P10-F79 HydrophobicContact CG-CD1 3.86Å; P10-F79 HydrophobicContact CG-CD2 3.97Å; P10-F79 HydrophobicContact CG-CE1 3.57Å; P10-F79 HydrophobicContact CG-CE2 3.73Å; P10-F79 HydrophobicContact CG-CG 4.04Å; P10-F79 HydrophobicContact CG-CZ 3.48Å; P10-F79 VanDerWaalsContact CG-CZ 3.48Å
11S83.4Confident74Confident31 Ų3179.3 Ų79.322%0.21743%0.43CS..  trans-78.7163.9160.977.80000110.6Q9 I13 S14 S15 E289Q9-S11 PolarHBondContact O-N 3.24Å; S11-I13 PolarHBondContact O-N 2.98Å; S11-I13 PolarHBondContact OG-N 3.39Å; S11-S14 PolarHBondContact O-N 3.46Å; S11-S14 PolarHBondContact OG-N 2.78Å; S11-S14 VanDerWaalsContact OG-N 3.1Å; S11-S15 WeakPolarHBondContact O-CB 3.43Å; S11-S15 PolarHBondContact O-N 3.25Å; S11-S15 PolarHBondContact O-OG 2.94Å; S11-E289 WeakPolarHBondContact CB-OE1 3.19Å; S11-E289 VanDerWaalsContact OG-CD 3.24Å; S11-E289 PolarHBondContact OG-OE1 3.02Å
12M84.1Confident77.1Confident135 Ų13568.3 Ų68.367%0.66538%0.376SS*.Hα-helixtrans-59.5-29.8170-70.4-72.8-81.500111.9M16 A17M12-M16 HydrophobicContact CE-SD 3.49Å; M12-M16 WeakPolarHBondContact CE-SD 3.19Å; M12-M16 WeakPolarHBondContact O-CB 3.36Å; M12-M16 PolarHBondContact O-N 3.1Å; M12-M16 HydrophobicContact SD-SD 3.87Å; M12-A17 PolarHBondContact O-N 3Å
13I85.3Confident80.2Confident73 Ų7364.3 Ų64.337%0.37435%0.354SS..Iπ-helixtrans-69.2-48.4177.9-62.2170.4000109.7S11 A17 L18 E289 I293S11-I13 PolarHBondContact O-N 2.98Å; S11-I13 PolarHBondContact OG-N 3.39Å; I13-A17 HydrophobicContact CG2-CB 4.32Å; I13-A17 WeakPolarHBondContact O-CB 3.37Å; I13-A17 PolarHBondContact O-N 3.47Å; I13-A17 VanDerWaalsContact O-N 3.14Å; I13-L18 HydrophobicContact CG2-CG 4.34Å; I13-L18 PolarHBondContact O-N 3.1Å; I13-E289 VanDerWaalsContact CB-OE1 3.27Å; I13-E289 WeakPolarHBondContact CB-OE1 3.38Å; I13-E289 VanDerWaalsContact CD1-OE1 3.27Å; I13-E289 WeakPolarHBondContact CD1-OE1 3.3Å; I13-I293 HydrophobicContact CG2-CD1 4.01Å; I13-I293 HydrophobicContact CG2-CG1 4.05Å
14S83.6Confident83Confident2 Ų262.7 Ų62.71%0.01435%0.345CS..Iπ-helixtrans-68.2-40.6179.3-62.20000112.7S11 P19 F75S11-S14 PolarHBondContact O-N 3.46Å; S11-S14 PolarHBondContact OG-N 2.78Å; S11-S14 VanDerWaalsContact OG-N 3.1Å; S14-P19 VanDerWaalsContact O-CD 3.28Å; S14-P19 WeakPolarHBondContact O-CD 3.33Å; S14-F75 WeakPolarHBondContact O-CB 3.33Å
15S86.1Confident85.5Confident33 Ų3356.8 Ų56.823%0.23131%0.313CS..Iπ-helixtrans-85-19.5-174.758.10000115S11 L76S11-S15 WeakPolarHBondContact O-CB 3.43Å; S11-S15 PolarHBondContact O-N 3.25Å; S11-S15 PolarHBondContact O-OG 2.94Å; S15-L76 WeakPolarHBondContact O-CD2 3.48Å
16M88.8Confident87.4Confident100 Ų10052.7 Ų52.749%0.49329%0.289SS..Iπ-helixtrans-126.8-55.7-178.8-57.2-175.372.800113M12 P19 I20M12-M16 HydrophobicContact CE-SD 3.49Å; M12-M16 WeakPolarHBondContact CE-SD 3.19Å; M12-M16 WeakPolarHBondContact O-CB 3.36Å; M12-M16 PolarHBondContact O-N 3.1Å; M12-M16 HydrophobicContact SD-SD 3.87Å; M16-P19 WeakPolarHBondContact O-CD 3.17Å; M16-I20 WeakPolarHBondContact O-CD1 3.47Å; M16-I20 VanDerWaalsContact O-CG1 3.27Å; M16-I20 WeakPolarHBondContact O-CG1 3.45Å; M16-I20 PolarHBondContact O-N 3.16Å
17A92.8Very high88.8Confident36 Ų3654.6 Ų54.630%0.29830%0.295SS..Iπ-helixtrans-67.4-48.3-171.200000112.6M12 I13 I20 I21M12-A17 PolarHBondContact O-N 3Å; I13-A17 HydrophobicContact CG2-CB 4.32Å; I13-A17 WeakPolarHBondContact O-CB 3.37Å; I13-A17 PolarHBondContact O-N 3.47Å; I13-A17 VanDerWaalsContact O-N 3.14Å; A17-I20 PolarHBondContact O-N 3.39Å; A17-I21 HydrophobicContact CB-CD1 4.48Å; A17-I21 WeakPolarHBondContact O-CB 3.33Å; A17-I21 WeakPolarHBondContact O-CD1 3.4Å; A17-I21 WeakPolarHBondContact O-CG1 3.47Å; A17-I21 PolarHBondContact O-N 3.39Å
18L93.5Very high89.6Confident4 Ų456.5 Ų56.52%0.02131%0.306CS..Hα-helixtrans-59.2-49.6180-73.9-178.5000112.8I13 I20 I21 Y22 F75 N292 I293 C296I13-L18 HydrophobicContact CG2-CG 4.34Å; I13-L18 PolarHBondContact O-N 3.1Å; L18-I20 VanDerWaalsContact C-N 3.35Å; L18-I20 PolarHBondContact O-N 3.41Å; L18-I21 PolarHBondContact O-N 2.91Å; L18-Y22 HydrophobicContact CB-CD2 4.42Å; L18-Y22 HydrophobicContact CB-CE2 4.38Å; L18-Y22 WeakPolarHBondContact O-CB 3.5Å; L18-Y22 WeakPolarHBondContact O-CD2 3.35Å; L18-Y22 PolarHBondContact O-N 3.4Å; L18-F75 HydrophobicContact CB-CD2 4.27Å; L18-F75 HydrophobicContact CD1-CE1 4.11Å; L18-F75 HydrophobicContact CD1-CE2 4.22Å; L18-F75 HydrophobicContact CD1-CZ 3.98Å; L18-N292 HydrophobicContact CD1-CB 3.82Å; L18-I293 HydrophobicContact CD2-CG1 4.43Å; L18-C296 HydrophobicContact CD2-CB 3.79Å
19P95.2Very high90.3Very high3 Ų356.2 Ų56.22%0.01930%0.304CS..Hα-helixtrans-50.4-51.2172.7-3033.4000113.5S14 M16 I21 Y22 I23 S72 F75 L76S14-P19 VanDerWaalsContact O-CD 3.28Å; S14-P19 WeakPolarHBondContact O-CD 3.33Å; M16-P19 WeakPolarHBondContact O-CD 3.17Å; P19-I21 PolarHBondContact O-N 3.35Å; P19-Y22 PolarHBondContact O-N 3.35Å; P19-I23 WeakPolarHBondContact O-CG1 3.39Å; P19-I23 PolarHBondContact O-N 3.16Å; P19-S72 WeakPolarHBondContact CA-OG 3.41Å; P19-S72 WeakPolarHBondContact CB-OG 3.25Å; P19-S72 PolarHBondContact O-OG 3.07Å; P19-F75 HydrophobicContact CG-CB 3.76Å; P19-L76 HydrophobicContact CB-CD1 4.04Å; P19-L76 HydrophobicContact CB-CD2 3.94Å; P19-L76 HydrophobicContact CB-CG 3.77Å; P19-L76 HydrophobicContact CG-CD2 3.81Å; P19-L76 HydrophobicContact CG-CG 3.73Å
20I95.9Very high91Very high99 Ų9953 Ų5351%0.50829%0.293SS..Hα-helixtrans-60.9-46.6-178.8-66.3167.4000110.5M16 A17 L18 Y22 I23 L24M16-I20 WeakPolarHBondContact O-CD1 3.47Å; M16-I20 VanDerWaalsContact O-CG1 3.27Å; M16-I20 WeakPolarHBondContact O-CG1 3.45Å; M16-I20 PolarHBondContact O-N 3.16Å; A17-I20 PolarHBondContact O-N 3.39Å; L18-I20 VanDerWaalsContact C-N 3.35Å; L18-I20 PolarHBondContact O-N 3.41Å; I20-Y22 PolarHBondContact O-N 3.01Å; I20-I23 PolarHBondContact O-N 2.91Å; I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 HydrophobicContact CG2-CG 4.49Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.2Å
21I95.7Very high91.9Very high72 Ų7257.4 Ų57.437%0.36931%0.306SS..Hα-helixtrans-62.2-45179.4-66.7164.8000110.6A17 L18 P19 I23 L24 L25 C296A17-I21 HydrophobicContact CB-CD1 4.48Å; A17-I21 WeakPolarHBondContact O-CB 3.33Å; A17-I21 WeakPolarHBondContact O-CD1 3.4Å; A17-I21 WeakPolarHBondContact O-CG1 3.47Å; A17-I21 PolarHBondContact O-N 3.39Å; L18-I21 PolarHBondContact O-N 2.91Å; P19-I21 PolarHBondContact O-N 3.35Å; I21-I23 VanDerWaalsContact C-N 3.34Å; I21-I23 PolarHBondContact O-N 3Å; I21-L24 PolarHBondContact O-N 2.73Å; I21-L25 HydrophobicContact CG2-CD1 3.7Å; I21-L25 HydrophobicContact CG2-CG 4.12Å; I21-L25 WeakPolarHBondContact O-CB 3.32Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.36Å; I21-L25 PolarHBondContact O-N 2.98Å; I21-C296 VanDerWaalsContact CG2-SG 3.57Å
22Y95.9Very high92.2Very high0 Ų056.4 Ų56.40%030%0.301CS..Hα-helixtrans-60.1-42177.9-84.6-56.5000112.7L18 P19 I20 L25 C26 M68 M71 F75 M99 C296L18-Y22 HydrophobicContact CB-CD2 4.42Å; L18-Y22 HydrophobicContact CB-CE2 4.38Å; L18-Y22 WeakPolarHBondContact O-CB 3.5Å; L18-Y22 WeakPolarHBondContact O-CD2 3.35Å; L18-Y22 PolarHBondContact O-N 3.4Å; P19-Y22 PolarHBondContact O-N 3.35Å; I20-Y22 PolarHBondContact O-N 3.01Å; Y22-L25 PolarHBondContact O-N 3.43Å; Y22-C26 VanDerWaalsContact O-CB 3.27Å; Y22-C26 WeakPolarHBondContact O-CB 3.36Å; Y22-C26 PolarHBondContact O-N 2.84Å; Y22-M68 HydrophobicContact CD1-CB 3.86Å; Y22-M68 HydrophobicContact CD1-CG 3.76Å; Y22-M68 HydrophobicContact CE1-CG 4.4Å; Y22-M68 HydrophobicContact CG-CB 4.39Å; Y22-M71 HydrophobicContact CD2-CB 4.15Å; Y22-M71 HydrophobicContact CE2-CB 4.07Å; Y22-M71 HydrophobicContact CG-CB 4.44Å; Y22-F75 HydrophobicContact CD2-CD2 4.29Å; Y22-F75 HydrophobicContact CD2-CE2 4.35Å; Y22-F75 HydrophobicContact CE2-CD2 4.03Å; Y22-F75 AromaticContact CE2-CE2 3.64Å; Y22-F75 HydrophobicContact CE2-CE2 3.64Å; Y22-M99 HydrophobicContact CD1-CE 4.28Å; Y22-M99 HydrophobicContact CE1-CE 3.5Å; Y22-C296 HydrophobicContact CE1-CB 4.08Å; Y22-C296 HydrophobicContact CE2-CB 4.16Å; Y22-C296 VanDerWaalsContact OH-CA 3.31Å; Y22-C296 WeakPolarHBondContact OH-CA 3.25Å; Y22-C296 WeakPolarHBondContact OH-CB 3.31Å; Y22-C296 PolarHBondContact OH-N 3.49Å
23I96.7Very high92.7Very high70 Ų7050 Ų5036%0.35927%0.27SS..Hα-helixtrans-66.1-44.2177.3-65.1-59.9000111.3P19 I20 I21 L25 C26 I27 P69P19-I23 WeakPolarHBondContact O-CG1 3.39Å; P19-I23 PolarHBondContact O-N 3.16Å; I20-I23 PolarHBondContact O-N 2.91Å; I21-I23 VanDerWaalsContact C-N 3.34Å; I21-I23 PolarHBondContact O-N 3Å; I23-L25 PolarHBondContact O-N 2.92Å; I23-C26 WeakPolarHBondContact O-CB 3.09Å; I23-C26 PolarHBondContact O-N 3.34Å; I23-I27 HydrophobicContact CG2-CD1 4.13Å; I23-I27 WeakPolarHBondContact O-CG1 3.27Å; I23-I27 PolarHBondContact O-N 3.04Å; I23-P69 HydrophobicContact CD1-CB 4.35Å
24L95.5Very high93Very high103 Ų10349 Ų4954%0.53927%0.269SS..Hα-helixtrans-61.2-46.2176.4-70.5174.4000111.8I20 I21 C26 I27 V28I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 HydrophobicContact CG2-CG 4.49Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.2Å; I21-L24 PolarHBondContact O-N 2.73Å; L24-C26 VanDerWaalsContact C-N 3.29Å; L24-C26 PolarHBondContact O-N 3.49Å; L24-I27 PolarHBondContact O-N 2.69Å; L24-V28 WeakPolarHBondContact O-CG2 3.37Å; L24-V28 PolarHBondContact O-N 3.41Å; L24-V28 VanDerWaalsContact O-N 3.11Å
25L95Very high93.3Very high32 Ų3251.4 Ų51.417%0.16828%0.281CS..Hα-helixtrans-62.3-37.4176.4-70.9174.7000112I21 Y22 I23 G29 M68 A300 S303I21-L25 HydrophobicContact CG2-CD1 3.7Å; I21-L25 HydrophobicContact CG2-CG 4.12Å; I21-L25 WeakPolarHBondContact O-CB 3.32Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.36Å; I21-L25 PolarHBondContact O-N 2.98Å; Y22-L25 PolarHBondContact O-N 3.43Å; I23-L25 PolarHBondContact O-N 2.92Å; L25-G29 WeakPolarHBondContact O-CA 3.37Å; L25-G29 PolarHBondContact O-N 3.39Å; L25-M68 HydrophobicContact CB-CE 4.11Å; L25-M68 HydrophobicContact CB-SD 3.56Å; L25-M68 VanDerWaalsContact CB-SD 3.56Å; L25-A300 HydrophobicContact CD1-CB 3.62Å; L25-A300 HydrophobicContact CD2-CB 3.74Å; L25-A300 HydrophobicContact CG-CB 4.35Å; L25-S303 WeakPolarHBondContact O-CB 2.99Å; L25-S303 PolarHBondContact O-OG 2.83Å
26C95.8Very high93.4Very high20 Ų2049.9 Ų49.914%0.13527%0.271CS..Hα-helixtrans-61.9-48.2175.2179.70000111.1Y22 I23 L24 V28 G29 V30 C65 M68 P69Y22-C26 VanDerWaalsContact O-CB 3.27Å; Y22-C26 WeakPolarHBondContact O-CB 3.36Å; Y22-C26 PolarHBondContact O-N 2.84Å; I23-C26 WeakPolarHBondContact O-CB 3.09Å; I23-C26 PolarHBondContact O-N 3.34Å; L24-C26 VanDerWaalsContact C-N 3.29Å; L24-C26 PolarHBondContact O-N 3.49Å; C26-V28 PolarHBondContact O-N 2.89Å; C26-G29 PolarHBondContact O-N 3.39Å; C26-V30 WeakPolarHBondContact O-CB 3.05Å; C26-V30 VanDerWaalsContact O-CG2 3.3Å; C26-V30 WeakPolarHBondContact O-CG2 3.35Å; C26-V30 PolarHBondContact O-N 3.04Å; C26-C65 PolarHBondContact SG-O 3.04Å; C26-M68 HydrophobicContact CB-CB 4.06Å; C26-M68 HydrophobicContact CB-SD 4.21Å; C26-M68 PolarHBondContact N-SD 2.81Å; C26-P69 HydrophobicContact CB-CG 4.43Å
27I94.5Very high93.5Very high108 Ų10846.5 Ų46.555%0.55425%0.254SS*.Hα-helixtrans-59.6-52-179.8-67.6165.4000110.4I23 L24 G29 F31I23-I27 HydrophobicContact CG2-CD1 4.13Å; I23-I27 WeakPolarHBondContact O-CG1 3.27Å; I23-I27 PolarHBondContact O-N 3.04Å; L24-I27 PolarHBondContact O-N 2.69Å; I27-G29 VanDerWaalsContact C-N 3.32Å; I27-G29 PolarHBondContact O-N 2.92Å; I27-F31 WeakPolarHBondContact O-CB 3.23Å; I27-F31 PolarHBondContact O-N 3.38Å; I27-F31 VanDerWaalsContact O-N 3.12Å
28V92.8Very high93.3Very high73 Ų7352.3 Ų52.344%0.44227%0.268SS..Hα-helixtrans-61.2-45179.5175.60000110.6L24 C26 G32L24-V28 WeakPolarHBondContact O-CG2 3.37Å; L24-V28 PolarHBondContact O-N 3.41Å; L24-V28 VanDerWaalsContact O-N 3.11Å; C26-V28 PolarHBondContact O-N 2.89Å; V28-G32 PolarHBondContact O-N 3.33Å
29G93.4Very high92.9Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-68-48.2-176.100000113L25 C26 I27 N33 C65L25-G29 WeakPolarHBondContact O-CA 3.37Å; L25-G29 PolarHBondContact O-N 3.39Å; C26-G29 PolarHBondContact O-N 3.39Å; I27-G29 VanDerWaalsContact C-N 3.32Å; I27-G29 PolarHBondContact O-N 2.92Å; G29-N33 WeakPolarHBondContact O-CB 3.19Å; G29-N33 PolarHBondContact O-N 3.33Å; G29-N33 PolarHBondContact O-ND2 2.97Å; G29-C65 VanDerWaalsContact C-SG 3.59Å; G29-C65 VanDerWaalsContact CA-SG 3.52Å
30V94.4Very high92.4Very high58 Ų5852.1 Ų52.135%0.35227%0.267SS..Hα-helixtrans-61.4-50177.61710000110.3C26 S34 C65C26-V30 WeakPolarHBondContact O-CB 3.05Å; C26-V30 VanDerWaalsContact O-CG2 3.3Å; C26-V30 WeakPolarHBondContact O-CG2 3.35Å; C26-V30 PolarHBondContact O-N 3.04Å; V30-S34 WeakPolarHBondContact O-CB 3.4Å; V30-S34 PolarHBondContact O-N 2.98Å; V30-S34 PolarHBondContact O-OG 3.45Å; V30-C65 HydrophobicContact CG2-CB 3.76Å
31F91.7Very high91.8Very high153 Ų15351.5 Ų51.567%0.67126%0.264SS*.Hα-helixtrans-60.6-53.4-178.4-179.9-98.4000111.5I27 L35I27-F31 WeakPolarHBondContact O-CB 3.23Å; I27-F31 PolarHBondContact O-N 3.38Å; I27-F31 VanDerWaalsContact O-N 3.12Å; F31-L35 WeakPolarHBondContact O-CB 3.28Å; F31-L35 PolarHBondContact O-N 3.41Å; F31-L35 VanDerWaalsContact O-N 3.09Å
32G90.6Very high91.1Very high11 Ų1151.5 Ų51.511%0.11327%0.268CS..Hα-helixtrans-65.1-48.2-176.800000112.6V28 S34 L35 S36 P306V28-G32 PolarHBondContact O-N 3.33Å; G32-S34 PolarHBondContact O-N 3.32Å; G32-L35 PolarHBondContact O-N 3.46Å; G32-S36 PolarHBondContact O-N 3.09Å; G32-S36 PolarHBondContact O-OG 2.93Å; G32-P306 VanDerWaalsContact C-CB 3.43Å; G32-P306 VanDerWaalsContact CA-CB 3.46Å
33N92.9Very high90.3Very high0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-69.9-34-177.4-73.6-73.7000111.3G29 S36 Q37 V58 N61 L62 S302 P306G29-N33 WeakPolarHBondContact O-CB 3.19Å; G29-N33 PolarHBondContact O-N 3.33Å; G29-N33 PolarHBondContact O-ND2 2.97Å; N33-S36 PolarHBondContact O-N 3.43Å; N33-Q37 WeakPolarHBondContact O-CB 3.43Å; N33-Q37 PolarHBondContact O-N 3.28Å; N33-V58 HydrophobicContact CB-CG1 3.84Å; N33-V58 WeakPolarHBondContact O-CG1 3.41Å; N33-N61 HydrophobicContact CB-CB 4.49Å; N33-N61 WeakPolarHBondContact OD1-CB 3.26Å; N33-N61 PolarHBondContact OD1-ND2 3.32Å; N33-L62 HydrophobicContact CB-CD2 3.64Å; N33-L62 HydrophobicContact CB-CG 3.8Å; N33-S302 PolarHBondContact ND2-O 3.23Å; N33-P306 HydrophobicContact CB-CG 4.28Å; N33-P306 VanDerWaalsContact N-CG 3.27Å
34S92.7Very high89.3Confident52 Ų5254 Ų5436%0.36428%0.276SS..Hα-helixtrans-65.4-43.3175.2-60.90000111.5V30 G32 S36 Q37 W38 L62V30-S34 WeakPolarHBondContact O-CB 3.4Å; V30-S34 PolarHBondContact O-N 2.98Å; V30-S34 PolarHBondContact O-OG 3.45Å; G32-S34 PolarHBondContact O-N 3.32Å; S34-S36 VanDerWaalsContact C-N 3.34Å; S34-S36 PolarHBondContact O-N 3.29Å; S34-Q37 PolarHBondContact O-N 2.74Å; S34-W38 WeakPolarHBondContact O-CB 3.16Å; S34-W38 PolarHBondContact O-N 3.21Å; S34-L62 WeakPolarHBondContact OG-CD2 3.22Å
35L89.7Confident88Confident52 Ų5253 Ų5327%0.27229%0.291SS..Hα-helixtrans-60.8-44.6174.1178.761.9000111.3F31 G32 W38 I39 L320F31-L35 WeakPolarHBondContact O-CB 3.28Å; F31-L35 PolarHBondContact O-N 3.41Å; F31-L35 VanDerWaalsContact O-N 3.09Å; G32-L35 PolarHBondContact O-N 3.46Å; L35-W38 PolarHBondContact O-N 3.48Å; L35-I39 HydrophobicContact CD1-CD1 3.98Å; L35-I39 HydrophobicContact CD1-CG1 4.47Å; L35-I39 HydrophobicContact CG-CD1 4.05Å; L35-I39 WeakPolarHBondContact O-CG1 3.23Å; L35-I39 PolarHBondContact O-N 2.97Å; L35-L320 HydrophobicContact CD2-CD1 4.31Å
36S88.5Confident87Confident1 Ų160.6 Ų60.61%0.00732%0.323CS..Hα-helixtrans-60.7-46.6177.1-65.90000112.3G32 N33 S34 W38 I39 F40G32-S36 PolarHBondContact O-N 3.09Å; G32-S36 PolarHBondContact O-OG 2.93Å; N33-S36 PolarHBondContact O-N 3.43Å; S34-S36 VanDerWaalsContact C-N 3.34Å; S34-S36 PolarHBondContact O-N 3.29Å; S36-W38 PolarHBondContact O-N 2.85Å; S36-I39 PolarHBondContact O-N 3.14Å; S36-F40 WeakPolarHBondContact O-CD2 3.3Å; S36-F40 VanDerWaalsContact O-CG 3.23Å; S36-F40 WeakPolarHBondContact O-CG 3.38Å; S36-F40 PolarHBondContact O-N 2.66Å
37Q90.4Very high86.1Confident29 Ų2963.9 Ų63.914%0.13634%0.335CS..Hα-helixtrans-62.1-45.3178.2-170.868.6-22.500111.4N33 S34 I39 F40 L41 S55 V58 T59N33-Q37 WeakPolarHBondContact O-CB 3.43Å; N33-Q37 PolarHBondContact O-N 3.28Å; S34-Q37 PolarHBondContact O-N 2.74Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 3.37Å; Q37-F40 PolarHBondContact O-N 2.89Å; Q37-L41 HydrophobicContact CG-CD1 3.82Å; Q37-L41 HydrophobicContact CG-CG 4.28Å; Q37-L41 WeakPolarHBondContact O-CB 3.35Å; Q37-L41 VanDerWaalsContact O-CG 3.27Å; Q37-L41 WeakPolarHBondContact O-CG 3.43Å; Q37-L41 PolarHBondContact O-N 3.37Å; Q37-S55 PolarHBondContact NE2-OG 2.87Å; Q37-S55 PolarHBondContact OE1-O 3.27Å; Q37-S55 PolarHBondContact OE1-OG 3.47Å; Q37-V58 HydrophobicContact CB-CG1 3.74Å; Q37-T59 PolarHBondContact NE2-OG1 3.01Å; Q37-T59 VanDerWaalsContact NE2-OG1 3.09Å
38W88.8Confident85.6Confident158 Ų15862 Ų6260%0.59833%0.328SS*.Hα-helixtrans-56.7-47.3176.8177.9-92.5000111.8S34 L35 S36 L41 T42S34-W38 WeakPolarHBondContact O-CB 3.16Å; S34-W38 PolarHBondContact O-N 3.21Å; L35-W38 PolarHBondContact O-N 3.48Å; S36-W38 PolarHBondContact O-N 2.85Å; W38-L41 PolarHBondContact O-N 3.49Å; W38-T42 HydrophobicContact CD2-CG2 4.15Å; W38-T42 HydrophobicContact CE3-CG2 4.36Å; W38-T42 HydrophobicContact CZ2-CG2 4.39Å; W38-T42 PolarHBondContact NE1-OG1 2.96Å; W38-T42 WeakPolarHBondContact O-CB 3.34Å; W38-T42 PolarHBondContact O-N 3.16Å; W38-T42 PolarHBondContact O-OG1 3.32Å
39I85.6Confident85.2Confident0 Ų058.9 Ų58.90%031%0.31CS..Hα-helixtrans-63.3-46.6178.5-72.1166.3000110.9L35 S36 Q37 L41 K43 I44 F316 T319 L320L35-I39 HydrophobicContact CD1-CD1 3.98Å; L35-I39 HydrophobicContact CD1-CG1 4.47Å; L35-I39 HydrophobicContact CG-CD1 4.05Å; L35-I39 WeakPolarHBondContact O-CG1 3.23Å; L35-I39 PolarHBondContact O-N 2.97Å; S36-I39 PolarHBondContact O-N 3.14Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 3.37Å; I39-L41 VanDerWaalsContact C-N 3.3Å; I39-L41 PolarHBondContact O-N 2.94Å; I39-K43 HydrophobicContact CG2-CB 4.41Å; I39-K43 PolarHBondContact O-N 2.85Å; I39-I44 PolarHBondContact O-N 3.25Å; I39-F316 HydrophobicContact CB-CD2 4.3Å; I39-F316 HydrophobicContact CB-CE2 3.78Å; I39-F316 HydrophobicContact CD1-CD2 4.13Å; I39-F316 HydrophobicContact CD1-CE1 4.24Å; I39-F316 HydrophobicContact CD1-CE2 3.34Å; I39-F316 HydrophobicContact CD1-CZ 3.42Å; I39-F316 VanDerWaalsContact CD1-CZ 3.42Å; I39-F316 HydrophobicContact CG1-CE2 4.13Å; I39-F316 HydrophobicContact CG2-CD2 3.76Å; I39-F316 HydrophobicContact CG2-CE2 3.77Å; I39-T319 HydrophobicContact CG2-CG2 4.16Å; I39-L320 HydrophobicContact CD1-CD1 4.28Å
40F83.8Confident84.7Confident4 Ų460.4 Ų60.42%0.01832%0.319CS..Hα-helixtrans-63.3-34.7179.1-66.2-22.2000112.9S36 Q37 I44 K47 L54 V58 F309 F316S36-F40 WeakPolarHBondContact O-CD2 3.3Å; S36-F40 VanDerWaalsContact O-CG 3.23Å; S36-F40 WeakPolarHBondContact O-CG 3.38Å; S36-F40 PolarHBondContact O-N 2.66Å; Q37-F40 PolarHBondContact O-N 2.89Å; F40-I44 HydrophobicContact CD1-CD1 3.65Å; F40-I44 HydrophobicContact CE1-CD1 4.28Å; F40-K47 WeakPolarHBondContact O-CE 3.48Å; F40-L54 HydrophobicContact CE2-CB 3.93Å; F40-L54 HydrophobicContact CZ-CB 4.3Å; F40-L54 HydrophobicContact CZ-CD1 4.39Å; F40-V58 HydrophobicContact CD2-CG2 4.44Å; F40-V58 HydrophobicContact CE2-CG2 3.97Å; F40-F309 HydrophobicContact CE2-CE2 4.27Å; F40-F309 HydrophobicContact CZ-CD2 4.29Å; F40-F309 HydrophobicContact CZ-CE2 4.34Å; F40-F309 HydrophobicContact CZ-CG 4.42Å; F40-F316 AromaticContact CE1-CD2 3.97Å; F40-F316 HydrophobicContact CE1-CD2 3.97Å; F40-F316 HydrophobicContact CE1-CE2 4.43Å
41L83.8Confident84.2Confident86 Ų8658.9 Ų58.945%0.4531%0.308SS..Hα-helixtrans-81.5-41.2-178.8-68.7-179.7000113.1Q37 W38 I39 K47Q37-L41 HydrophobicContact CG-CD1 3.82Å; Q37-L41 HydrophobicContact CG-CG 4.28Å; Q37-L41 WeakPolarHBondContact O-CB 3.35Å; Q37-L41 VanDerWaalsContact O-CG 3.27Å; Q37-L41 WeakPolarHBondContact O-CG 3.43Å; Q37-L41 PolarHBondContact O-N 3.37Å; W38-L41 PolarHBondContact O-N 3.49Å; I39-L41 VanDerWaalsContact C-N 3.3Å; I39-L41 PolarHBondContact O-N 2.94Å; L41-K47 PolarHBondContact O-NZ 3.49Å
42T81.7Confident84.1Confident72 Ų7252.3 Ų52.344%0.44228%0.28SS..Hα-helixtrans-107.8-30.2-166.567.60000114.8W38W38-T42 HydrophobicContact CD2-CG2 4.15Å; W38-T42 HydrophobicContact CE3-CG2 4.36Å; W38-T42 HydrophobicContact CZ2-CG2 4.39Å; W38-T42 PolarHBondContact NE1-OG1 2.96Å; W38-T42 WeakPolarHBondContact O-CB 3.34Å; W38-T42 PolarHBondContact O-N 3.16Å; W38-T42 PolarHBondContact O-OG1 3.32Å
43K78.3Confident84.1Confident103 Ų10351.9 Ų51.945%0.44828%0.275SS..THydrogen-bonded Turntrans-102.7-22.3-172-58.7-57.5177.6-178.10113.7I39 G45 T319I39-K43 HydrophobicContact CG2-CB 4.41Å; I39-K43 PolarHBondContact O-N 2.85Å; K43-G45 PolarHBondContact O-N 3.5Å; K43-T319 HydrophobicContact CB-CG2 3.62Å; K43-T319 HydrophobicContact CG-CG2 4.1Å
44I75.3Confident83.8Confident18 Ų1853 Ų539%0.09228%0.28CS..  trans-90.5100.4177.8-56.9-174.3000109.9I39 F40I39-I44 PolarHBondContact O-N 3.25Å; F40-I44 HydrophobicContact CD1-CD1 3.65Å; F40-I44 HydrophobicContact CE1-CD1 4.28Å
45G68.2Low83.7Confident82 Ų8251.3 Ų51.385%0.84527%0.269SS*.SBendtrans-65-46.3-177.900000114.4K43K43-G45 PolarHBondContact O-N 3.5Å
46K74.4Confident83.9Confident192 Ų19250.7 Ų50.784%0.83527%0.265SS*.SBendtrans-100.797.9177.1-70.3-175-179.2179.10110.7T48K46-T48 PolarHBondContact O-N 2.83Å
47K76.2Confident84.1Confident89 Ų8950.9 Ų50.939%0.38727%0.265SS..  trans-75.1112.5179.4-63.8-175.3-178.5177.30111.2F40 L41F40-K47 WeakPolarHBondContact O-CE 3.48Å; L41-K47 PolarHBondContact O-NZ 3.49Å
48T83.9Confident84.2Confident69 Ų6949.5 Ų49.542%0.42326%0.259SS..  trans-78.2164.1171680000110.6K46 T50 H51 I52K46-T48 PolarHBondContact O-N 2.83Å; T48-T50 PolarHBondContact O-N 3.04Å; T48-H51 PolarHBondContact O-N 3.23Å; T48-H51 VanDerWaalsContact O-N 3.12Å; T48-H51 PolarHBondContact OG1-CD2 3.2Å; T48-H51 PolarHBondContact OG1-N 3.09Å; T48-I52 PolarHBondContact O-N 3.31Å
49S84.8Confident84.5Confident8 Ų844.4 Ų44.46%0.05625%0.245CC..Hα-helixtrans-57.8-36.8173.957.30000112.5H51 I52 Y53 F146S49-H51 PolarHBondContact O-N 3.23Å; S49-I52 PolarHBondContact O-N 3.37Å; S49-Y53 WeakPolarHBondContact O-CD2 3.36Å; S49-Y53 PolarHBondContact O-N 3.38Å; S49-F146 VanDerWaalsContact CB-O 3.28Å; S49-F146 WeakPolarHBondContact CB-O 3.26Å; S49-F146 PolarHBondContact OG-O 3.5Å
50T82.6Confident85Confident31 Ų3144.4 Ų44.419%0.1925%0.245CC..Hα-helixtrans-60.7-43.8173.9-56.80000112.2T48 I52 Y53 L54 R117T48-T50 PolarHBondContact O-N 3.04Å; T50-I52 PolarHBondContact O-N 3.12Å; T50-Y53 PolarHBondContact O-N 3.3Å; T50-L54 HydrophobicContact CG2-CD1 3.97Å; T50-L54 HydrophobicContact CG2-CG 4.23Å; T50-L54 WeakPolarHBondContact O-CB 3.37Å; T50-L54 VanDerWaalsContact O-CG 3.3Å; T50-L54 WeakPolarHBondContact O-CG 3.32Å; T50-L54 PolarHBondContact O-N 3.27Å; T50-R117 PolarHBondContact OG1-NH2 3.27Å
51H84.3Confident85.5Confident27 Ų2744.3 Ų44.313%0.12525%0.245CC..Hα-helixtrans-62.9-32.3176.8-70.9-55000112.7T48 S49 S55T48-H51 PolarHBondContact O-N 3.23Å; T48-H51 VanDerWaalsContact O-N 3.12Å; T48-H51 PolarHBondContact OG1-CD2 3.2Å; T48-H51 PolarHBondContact OG1-N 3.09Å; S49-H51 PolarHBondContact O-N 3.23Å; H51-S55 VanDerWaalsContact O-CB 3.28Å; H51-S55 WeakPolarHBondContact O-CB 3.38Å; H51-S55 PolarHBondContact O-N 2.82Å
52I89.6Confident86.1Confident14 Ų1442.3 Ų42.37%0.07223%0.234CC..Hα-helixtrans-68-48.3175.4-64.8172.9000110.5T48 S49 T50 L54 S55 H56 P149 A152 R153T48-I52 PolarHBondContact O-N 3.31Å; S49-I52 PolarHBondContact O-N 3.37Å; T50-I52 PolarHBondContact O-N 3.12Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 3.5Å; I52-S55 PolarHBondContact O-N 3.15Å; I52-H56 PolarHBondContact O-CD2 3.44Å; I52-H56 PolarHBondContact O-N 3.5Å; I52-P149 HydrophobicContact CD1-CB 3.44Å; I52-P149 VanDerWaalsContact CD1-CB 3.44Å; I52-P149 WeakPolarHBondContact CD1-O 3.42Å; I52-A152 HydrophobicContact CB-CB 4.15Å; I52-A152 HydrophobicContact CD1-CB 4.41Å; I52-A152 HydrophobicContact CG2-CB 4.05Å; I52-R153 HydrophobicContact CG2-CB 4.39Å
53Y89.8Confident86.8Confident3 Ų341.1 Ų41.11%0.01223%0.225CC..Hα-helixtrans-58.2-46.2175.7-64.3-51.3000111.7S49 T50 S55 H56 L57 I109 W112 I113 A152 L155 C156S49-Y53 WeakPolarHBondContact O-CD2 3.36Å; S49-Y53 PolarHBondContact O-N 3.38Å; T50-Y53 PolarHBondContact O-N 3.3Å; Y53-S55 VanDerWaalsContact C-N 3.34Å; Y53-S55 PolarHBondContact O-N 3.11Å; Y53-H56 PolarHBondContact O-N 3.12Å; Y53-L57 WeakPolarHBondContact O-CB 3.37Å; Y53-L57 PolarHBondContact O-N 2.8Å; Y53-I109 WeakPolarHBondContact O-CG2 3.3Å; Y53-W112 AromaticContact CE1-CD1 3.54Å; Y53-W112 HydrophobicContact CE1-CG 4.49Å; Y53-W112 AromaticContact CE1-NE1 3.91Å; Y53-W112 AromaticContact CE2-CD1 3.81Å; Y53-W112 AromaticContact CZ-CD1 3.3Å; Y53-W112 AromaticContact CZ-NE1 3.36Å; Y53-W112 PolarHBondContact OH-NE1 2.8Å; Y53-I113 HydrophobicContact CD2-CG1 4.29Å; Y53-I113 HydrophobicContact CG-CG1 4.22Å; Y53-A152 HydrophobicContact CD1-CB 4.36Å; Y53-A152 HydrophobicContact CE1-CB 3.71Å; Y53-A152 HydrophobicContact CE2-CB 3.92Å; Y53-A152 VanDerWaalsContact CZ-CB 3.44Å; Y53-A152 WeakPolarHBondContact OH-CA 3.46Å; Y53-L155 HydrophobicContact CE1-CD2 4.1Å; Y53-C156 VanDerWaalsContact CD1-SG 3.51Å
54L88.4Confident87.5Confident22 Ų2236.5 Ų36.512%0.11521%0.205CC..Hα-helixtrans-64.1-37.2177.8-67.6177.9000112.5F40 T50 I52 L57 V58 I113 F309F40-L54 HydrophobicContact CE2-CB 3.93Å; F40-L54 HydrophobicContact CZ-CB 4.3Å; F40-L54 HydrophobicContact CZ-CD1 4.39Å; T50-L54 HydrophobicContact CG2-CD1 3.97Å; T50-L54 HydrophobicContact CG2-CG 4.23Å; T50-L54 WeakPolarHBondContact O-CB 3.37Å; T50-L54 VanDerWaalsContact O-CG 3.3Å; T50-L54 WeakPolarHBondContact O-CG 3.32Å; T50-L54 PolarHBondContact O-N 3.27Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 3.5Å; L54-L57 HydrophobicContact CD2-CD2 4.29Å; L54-L57 WeakPolarHBondContact O-CB 3.45Å; L54-L57 PolarHBondContact O-N 2.89Å; L54-V58 WeakPolarHBondContact O-CB 3.39Å; L54-V58 VanDerWaalsContact O-CG2 3.26Å; L54-V58 WeakPolarHBondContact O-CG2 3.43Å; L54-V58 PolarHBondContact O-N 3.33Å; L54-I113 HydrophobicContact CD2-CD1 4.24Å; L54-F309 HydrophobicContact CD1-CE1 4.26Å; L54-F309 HydrophobicContact CD2-CE1 3.9Å; L54-F309 HydrophobicContact CD2-CZ 3.98Å
55S89.9Confident88.5Confident17 Ų1735.6 Ų35.612%0.11920%0.201CC..Hα-helixtrans-66-42.3176.5-176.70000112.1Q37 H51 I52 Y53 V58 T59Q37-S55 PolarHBondContact NE2-OG 2.87Å; Q37-S55 PolarHBondContact OE1-O 3.27Å; Q37-S55 PolarHBondContact OE1-OG 3.47Å; H51-S55 VanDerWaalsContact O-CB 3.28Å; H51-S55 WeakPolarHBondContact O-CB 3.38Å; H51-S55 PolarHBondContact O-N 2.82Å; I52-S55 PolarHBondContact O-N 3.15Å; Y53-S55 VanDerWaalsContact C-N 3.34Å; Y53-S55 PolarHBondContact O-N 3.11Å; S55-V58 PolarHBondContact O-N 2.83Å; S55-T59 PolarHBondContact O-N 3.25Å; S55-T59 PolarHBondContact O-OG1 2.77Å; S55-T59 VanDerWaalsContact O-OG1 3.04Å
56H93.6Very high89.7Confident40 Ų4034.2 Ų34.219%0.18518%0.178CC..Hα-helixtrans-68.3-33.6174-80.1-88.9000112.7I52 Y53 T59 A60 I109 C156 W160I52-H56 PolarHBondContact O-CD2 3.44Å; I52-H56 PolarHBondContact O-N 3.5Å; Y53-H56 PolarHBondContact O-N 3.12Å; H56-T59 WeakPolarHBondContact O-CB 3.26Å; H56-T59 PolarHBondContact O-N 2.98Å; H56-A60 PolarHBondContact O-N 3.18Å; H56-I109 HydrophobicContact CB-CD1 3.67Å; H56-C156 HydrophobicContact CB-CB 4.15Å; H56-C156 WeakPolarHBondContact CD2-CB 3.15Å; H56-W160 AromaticContact ND1-CD1 3.62Å; H56-W160 AromaticContact ND1-NE1 3.38Å; H56-W160 PolarHBondContact ND1-NE1 3.01Å
57L92.4Very high90.7Very high4 Ų425 Ų252%0.02114%0.138CC..Hα-helixtrans-62.1-46.6172.3179.564.8000111Y53 L54 T59 A60 N61 I109 L110Y53-L57 WeakPolarHBondContact O-CB 3.37Å; Y53-L57 PolarHBondContact O-N 2.8Å; L54-L57 HydrophobicContact CD2-CD2 4.29Å; L54-L57 WeakPolarHBondContact O-CB 3.45Å; L54-L57 PolarHBondContact O-N 2.89Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 3.49Å; L57-A60 WeakPolarHBondContact O-CB 3.46Å; L57-A60 PolarHBondContact O-N 2.95Å; L57-A60 VanDerWaalsContact O-N 3.14Å; L57-N61 VanDerWaalsContact O-CG 3.31Å; L57-N61 PolarHBondContact O-N 3.17Å; L57-N61 PolarHBondContact O-OD1 2.89Å; L57-I109 HydrophobicContact CB-CG2 4.14Å; L57-L110 HydrophobicContact CD1-CD1 4.33Å; L57-L110 HydrophobicContact CD1-CG 4.19Å; L57-L110 HydrophobicContact CD2-CD2 3.95Å; L57-L110 HydrophobicContact CD2-CG 4.38Å
58V93.4Very high91.6Very high0 Ų020.8 Ų20.80%012%0.12CC..Hα-helixtrans-63.3-38.5176.3170.90000111.3N33 Q37 F40 L54 S55 N61 L62 F309N33-V58 HydrophobicContact CB-CG1 3.84Å; N33-V58 WeakPolarHBondContact O-CG1 3.41Å; Q37-V58 HydrophobicContact CB-CG1 3.74Å; F40-V58 HydrophobicContact CD2-CG2 4.44Å; F40-V58 HydrophobicContact CE2-CG2 3.97Å; L54-V58 WeakPolarHBondContact O-CB 3.39Å; L54-V58 VanDerWaalsContact O-CG2 3.26Å; L54-V58 WeakPolarHBondContact O-CG2 3.43Å; L54-V58 PolarHBondContact O-N 3.33Å; S55-V58 PolarHBondContact O-N 2.83Å; V58-N61 WeakPolarHBondContact O-CB 3.3Å; V58-N61 PolarHBondContact O-N 3.08Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-L62 PolarHBondContact O-N 3.41Å; V58-F309 HydrophobicContact CG2-CE2 3.72Å; V58-F309 HydrophobicContact CG2-CZ 4.37Å
59T95.3Very high92.1Very high51 Ų5119.3 Ų19.331%0.31311%0.111SC..Hα-helixtrans-60-44.3171.6-59.20000111.7Q37 S55 H56 L57 N61 L62 L63 W160Q37-T59 PolarHBondContact NE2-OG1 3.01Å; Q37-T59 VanDerWaalsContact NE2-OG1 3.09Å; S55-T59 PolarHBondContact O-N 3.25Å; S55-T59 PolarHBondContact O-OG1 2.77Å; S55-T59 VanDerWaalsContact O-OG1 3.04Å; H56-T59 WeakPolarHBondContact O-CB 3.26Å; H56-T59 PolarHBondContact O-N 2.98Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 3.49Å; T59-N61 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3.18Å; T59-L62 PolarHBondContact O-N 2.9Å; T59-L63 PolarHBondContact O-N 3.18Å; T59-L63 VanDerWaalsContact O-N 3.08Å; T59-W160 HydrophobicContact CG2-CZ2 4.11Å
60A95.8Very high92.6Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-64.3-37.417600000111.9H56 L57 L63 V64 S102 V105 S106 W160H56-A60 PolarHBondContact O-N 3.18Å; L57-A60 WeakPolarHBondContact O-CB 3.46Å; L57-A60 PolarHBondContact O-N 2.95Å; L57-A60 VanDerWaalsContact O-N 3.14Å; A60-L63 PolarHBondContact O-N 2.94Å; A60-V64 PolarHBondContact O-N 3.38Å; A60-V64 VanDerWaalsContact O-N 3.13Å; A60-S102 VanDerWaalsContact O-CB 3.27Å; A60-S102 WeakPolarHBondContact O-CB 3.48Å; A60-S102 PolarHBondContact O-OG 2.86Å; A60-V105 HydrophobicContact CB-CB 4.17Å; A60-V105 HydrophobicContact CB-CG1 3.81Å; A60-S106 WeakPolarHBondContact CB-OG 3.48Å; A60-W160 HydrophobicContact CB-CH2 4.4Å; A60-W160 HydrophobicContact CB-CZ2 4.05Å
61N94.6Very high93.1Very high2 Ų221.4 Ų21.41%0.01112%0.117CC..Hα-helixtrans-63.3-42.8174-69-13.8000112.3N33 L57 V58 T59 L63 V64 C65 S302 D305N33-N61 HydrophobicContact CB-CB 4.49Å; N33-N61 WeakPolarHBondContact OD1-CB 3.26Å; N33-N61 PolarHBondContact OD1-ND2 3.32Å; L57-N61 VanDerWaalsContact O-CG 3.31Å; L57-N61 PolarHBondContact O-N 3.17Å; L57-N61 PolarHBondContact O-OD1 2.89Å; V58-N61 WeakPolarHBondContact O-CB 3.3Å; V58-N61 PolarHBondContact O-N 3.08Å; T59-N61 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3.18Å; N61-L63 VanDerWaalsContact C-N 3.29Å; N61-L63 PolarHBondContact O-N 3.08Å; N61-V64 WeakPolarHBondContact O-CG1 3.5Å; N61-V64 PolarHBondContact O-N 2.73Å; N61-C65 WeakPolarHBondContact O-CB 3.33Å; N61-C65 PolarHBondContact O-N 3.38Å; N61-C65 PolarHBondContact O-SG 2.91Å; N61-S302 WeakPolarHBondContact OD1-CB 3.39Å; N61-D305 PolarHBondContact ND2-OD2 2.85Å
62L95.5Very high93.6Very high44 Ų4420.4 Ų20.423%0.2311%0.113CC..Hα-helixtrans-61-39.2174.9-73.1169.9000111.8N33 S34 V58 T59 C65 S66N33-L62 HydrophobicContact CB-CD2 3.64Å; N33-L62 HydrophobicContact CB-CG 3.8Å; S34-L62 WeakPolarHBondContact OG-CD2 3.22Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-L62 PolarHBondContact O-N 3.41Å; T59-L62 PolarHBondContact O-N 2.9Å; L62-C65 PolarHBondContact O-N 2.89Å; L62-S66 PolarHBondContact O-N 3.34Å
63L95.9Very high93.8Very high48 Ų4822.8 Ų22.825%0.25113%0.126SC..Hα-helixtrans-62.3-44.9176.6176.865.8000111.8T59 A60 N61 S66 A67 V101 S102 W160T59-L63 PolarHBondContact O-N 3.18Å; T59-L63 VanDerWaalsContact O-N 3.08Å; A60-L63 PolarHBondContact O-N 2.94Å; N61-L63 VanDerWaalsContact C-N 3.29Å; N61-L63 PolarHBondContact O-N 3.08Å; L63-S66 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-OG 3.27Å; L63-A67 PolarHBondContact O-N 3.45Å; L63-A67 VanDerWaalsContact O-N 3.16Å; L63-V101 HydrophobicContact CD2-CB 4.18Å; L63-V101 HydrophobicContact CD2-CG1 3.74Å; L63-S102 VanDerWaalsContact CB-OG 3.24Å; L63-S102 WeakPolarHBondContact CB-OG 3.47Å; L63-S102 WeakPolarHBondContact CD2-OG 3.33Å; L63-S102 VanDerWaalsContact CG-OG 3.29Å; L63-S102 WeakPolarHBondContact CG-OG 3.49Å; L63-W160 HydrophobicContact CD2-CH2 3.87Å; L63-W160 HydrophobicContact CD2-CZ3 3.95Å
64V94.9Very high94Very high5 Ų522.9 Ų22.93%0.0313%0.126CC..Hα-helixtrans-70.1-34.9176.158.10000111.6A60 N61 S66 A67 M68 M99 S102 S302A60-V64 PolarHBondContact O-N 3.38Å; A60-V64 VanDerWaalsContact O-N 3.13Å; N61-V64 WeakPolarHBondContact O-CG1 3.5Å; N61-V64 PolarHBondContact O-N 2.73Å; V64-S66 VanDerWaalsContact C-N 3.26Å; V64-S66 PolarHBondContact O-N 2.91Å; V64-A67 WeakPolarHBondContact O-CA 3.12Å; V64-A67 WeakPolarHBondContact O-CB 3.28Å; V64-A67 PolarHBondContact O-N 2.91Å; V64-M68 HydrophobicContact CG2-CE 4.32Å; V64-M68 WeakPolarHBondContact O-CG 3.38Å; V64-M68 PolarHBondContact O-N 3.32Å; V64-M68 VanDerWaalsContact O-N 3.16Å; V64-M99 HydrophobicContact CG2-CE 4.46Å; V64-M99 HydrophobicContact CG2-CG 4.25Å; V64-S102 PolarHBondContact N-OG 3.25Å; V64-S302 WeakPolarHBondContact CG1-OG 3.42Å
65C95.3Very high94.1Very high0 Ų021.9 Ų21.90%012%0.121CC..Hα-helixtrans-59.5-40.5173.3-65.50000111C26 G29 V30 N61 L62 A67 M68 P69C26-C65 PolarHBondContact SG-O 3.04Å; G29-C65 VanDerWaalsContact C-SG 3.59Å; G29-C65 VanDerWaalsContact CA-SG 3.52Å; V30-C65 HydrophobicContact CG2-CB 3.76Å; N61-C65 WeakPolarHBondContact O-CB 3.33Å; N61-C65 PolarHBondContact O-N 3.38Å; N61-C65 PolarHBondContact O-SG 2.91Å; L62-C65 PolarHBondContact O-N 2.89Å; C65-A67 PolarHBondContact O-N 3.45Å; C65-M68 PolarHBondContact O-N 3.23Å; C65-P69 WeakPolarHBondContact O-CD 3.44Å
66S94Very high94.2Very high52 Ų5225.4 Ų25.436%0.36414%0.138SC..Hα-helixtrans-67-22.9174.277.30000113.5L62 L63 V64 P69 F70L62-S66 PolarHBondContact O-N 3.34Å; L63-S66 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-OG 3.27Å; V64-S66 VanDerWaalsContact C-N 3.26Å; V64-S66 PolarHBondContact O-N 2.91Å; S66-P69 WeakPolarHBondContact O-CD 3.36Å; S66-F70 WeakPolarHBondContact O-CD2 3.46Å; S66-F70 VanDerWaalsContact O-CE2 3.23Å; S66-F70 WeakPolarHBondContact O-CE2 3.41Å
67A94.3Very high94.1Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-75.6-30.9175.600000113L63 V64 C65 F70 M71 M99L63-A67 PolarHBondContact O-N 3.45Å; L63-A67 VanDerWaalsContact O-N 3.16Å; V64-A67 WeakPolarHBondContact O-CA 3.12Å; V64-A67 WeakPolarHBondContact O-CB 3.28Å; V64-A67 PolarHBondContact O-N 2.91Å; C65-A67 PolarHBondContact O-N 3.45Å; A67-F70 WeakPolarHBondContact O-CB 3.42Å; A67-F70 PolarHBondContact O-N 3.05Å; A67-F70 VanDerWaalsContact O-N 3.09Å; A67-M71 PolarHBondContact O-N 3.39Å; A67-M71 VanDerWaalsContact O-N 3.09Å; A67-M99 HydrophobicContact CB-CG 3.8Å
68M95.2Very high93.7Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-59.7-41.3-173.7-64.6175.7-176.700113.7Y22 L25 C26 V64 C65 F70 M71 S72 M99 S299Y22-M68 HydrophobicContact CD1-CB 3.86Å; Y22-M68 HydrophobicContact CD1-CG 3.76Å; Y22-M68 HydrophobicContact CE1-CG 4.4Å; Y22-M68 HydrophobicContact CG-CB 4.39Å; L25-M68 HydrophobicContact CB-CE 4.11Å; L25-M68 HydrophobicContact CB-SD 3.56Å; L25-M68 VanDerWaalsContact CB-SD 3.56Å; C26-M68 HydrophobicContact CB-CB 4.06Å; C26-M68 HydrophobicContact CB-SD 4.21Å; C26-M68 PolarHBondContact N-SD 2.81Å; V64-M68 HydrophobicContact CG2-CE 4.32Å; V64-M68 WeakPolarHBondContact O-CG 3.38Å; V64-M68 PolarHBondContact O-N 3.32Å; V64-M68 VanDerWaalsContact O-N 3.16Å; C65-M68 PolarHBondContact O-N 3.23Å; M68-F70 VanDerWaalsContact C-N 3.32Å; M68-F70 PolarHBondContact O-N 3.38Å; M68-M71 PolarHBondContact O-N 3.35Å; M68-S72 PolarHBondContact O-N 3.05Å; M68-M99 HydrophobicContact CG-CE 4.4Å; M68-S299 WeakPolarHBondContact CE-O 3.37Å
69P95.2Very high93.3Very high38 Ų3829.8 Ų29.825%0.24716%0.156CC..Hα-helixtrans-60-39172.7-25.734.7000113.3I23 C26 C65 S66 S72 I73I23-P69 HydrophobicContact CD1-CB 4.35Å; C26-P69 HydrophobicContact CB-CG 4.43Å; C65-P69 WeakPolarHBondContact O-CD 3.44Å; S66-P69 WeakPolarHBondContact O-CD 3.36Å; P69-S72 WeakPolarHBondContact O-CB 3.36Å; P69-S72 PolarHBondContact O-N 3.07Å; P69-I73 VanDerWaalsContact O-CG1 3.26Å; P69-I73 WeakPolarHBondContact O-CG1 3.3Å; P69-I73 PolarHBondContact O-N 3Å
70F94.4Very high92.9Very high62 Ų6233.4 Ų33.427%0.27217%0.17SC..Hα-helixtrans-62.8-44.6175.6-62.6-77.9000110.7S66 A67 M68 S72 I73 Y74 V91 L94S66-F70 WeakPolarHBondContact O-CD2 3.46Å; S66-F70 VanDerWaalsContact O-CE2 3.23Å; S66-F70 WeakPolarHBondContact O-CE2 3.41Å; A67-F70 WeakPolarHBondContact O-CB 3.42Å; A67-F70 PolarHBondContact O-N 3.05Å; A67-F70 VanDerWaalsContact O-N 3.09Å; M68-F70 VanDerWaalsContact C-N 3.32Å; M68-F70 PolarHBondContact O-N 3.38Å; F70-S72 VanDerWaalsContact C-N 3.34Å; F70-S72 PolarHBondContact O-N 2.97Å; F70-I73 PolarHBondContact O-N 3.27Å; F70-Y74 WeakPolarHBondContact O-CB 3.24Å; F70-Y74 PolarHBondContact O-N 3.35Å; F70-V91 HydrophobicContact CB-CG1 4.08Å; F70-V91 HydrophobicContact CD1-CG2 4.24Å; F70-V91 WeakPolarHBondContact O-CG1 3.36Å; F70-L94 HydrophobicContact CD1-CB 4.41Å; F70-L94 HydrophobicContact CD2-CB 4.49Å; F70-L94 HydrophobicContact CE1-CB 4.39Å; F70-L94 HydrophobicContact CE1-CD1 3.82Å; F70-L94 HydrophobicContact CE2-CB 4.46Å; F70-L94 HydrophobicContact CG-CB 4.46Å; F70-L94 HydrophobicContact CZ-CB 4.41Å; F70-L94 HydrophobicContact CZ-CD1 3.85Å
71M93.8Very high92.5Very high20 Ų2036.1 Ų36.110%0.09918%0.18CC..Hα-helixtrans-62.3-40.7174.7-64.5-51.9-63.900112.3Y22 A67 M68 I73 Y74 F75 M99Y22-M71 HydrophobicContact CD2-CB 4.15Å; Y22-M71 HydrophobicContact CE2-CB 4.07Å; Y22-M71 HydrophobicContact CG-CB 4.44Å; A67-M71 PolarHBondContact O-N 3.39Å; A67-M71 VanDerWaalsContact O-N 3.09Å; M68-M71 PolarHBondContact O-N 3.35Å; M71-I73 VanDerWaalsContact C-N 3.33Å; M71-I73 PolarHBondContact O-N 3.4Å; M71-Y74 HydrophobicContact CE-CD1 4.21Å; M71-Y74 WeakPolarHBondContact O-CB 3.25Å; M71-Y74 PolarHBondContact O-N 2.99Å; M71-F75 HydrophobicContact CB-CE2 4.46Å; M71-F75 HydrophobicContact CE-CE2 4.02Å; M71-F75 HydrophobicContact CE-CZ 4.39Å; M71-F75 WeakPolarHBondContact O-CD2 3.47Å; M71-F75 PolarHBondContact O-N 3.47Å; M71-M99 HydrophobicContact CB-CE 4.35Å; M71-M99 HydrophobicContact CG-CE 3.53Å; M71-M99 HydrophobicContact CG-SD 4.08Å
72S94.6Very high92.1Very high6 Ų641.7 Ų41.74%0.04221%0.206CC..Hα-helixtrans-59.2-45.1174.6-179.40000111.6P19 M68 P69 F70 F75 L76P19-S72 WeakPolarHBondContact CA-OG 3.41Å; P19-S72 WeakPolarHBondContact CB-OG 3.25Å; P19-S72 PolarHBondContact O-OG 3.07Å; M68-S72 PolarHBondContact O-N 3.05Å; P69-S72 WeakPolarHBondContact O-CB 3.36Å; P69-S72 PolarHBondContact O-N 3.07Å; F70-S72 VanDerWaalsContact C-N 3.34Å; F70-S72 PolarHBondContact O-N 2.97Å; S72-F75 PolarHBondContact O-N 3.15Å; S72-L76 WeakPolarHBondContact O-CB 3.42Å; S72-L76 VanDerWaalsContact O-CG 3.28Å; S72-L76 WeakPolarHBondContact O-CG 3.41Å; S72-L76 PolarHBondContact O-N 3.33Å
73I94.3Very high91.3Very high65 Ų6540.4 Ų40.433%0.33320%0.198SC..Hα-helixtrans-65.2-42.1178.3-69.8166.5000110.4P69 F70 M71 F75 L76 K77 W81 V91P69-I73 VanDerWaalsContact O-CG1 3.26Å; P69-I73 WeakPolarHBondContact O-CG1 3.3Å; P69-I73 PolarHBondContact O-N 3Å; F70-I73 PolarHBondContact O-N 3.27Å; M71-I73 VanDerWaalsContact C-N 3.33Å; M71-I73 PolarHBondContact O-N 3.4Å; I73-F75 PolarHBondContact O-N 2.96Å; I73-L76 PolarHBondContact O-N 3.18Å; I73-K77 WeakPolarHBondContact O-CB 3.45Å; I73-K77 PolarHBondContact O-N 3.26Å; I73-W81 HydrophobicContact CG2-CH2 3.23Å; I73-W81 HydrophobicContact CG2-CZ2 4.26Å; I73-W81 HydrophobicContact CG2-CZ3 3.59Å; I73-V91 HydrophobicContact CB-CG1 4.37Å; I73-V91 HydrophobicContact CG2-CG1 4.28Å; I73-V91 HydrophobicContact CG2-CG2 4.12Å
74Y92.6Very high90.6Very high4 Ų445.3 Ų45.32%0.01622%0.22CC..Hα-helixtrans-55.7-49.4174.8169.2-106.8000111.7F70 M71 L76 G78 N92 Y188 E193F70-Y74 WeakPolarHBondContact O-CB 3.24Å; F70-Y74 PolarHBondContact O-N 3.35Å; M71-Y74 HydrophobicContact CE-CD1 4.21Å; M71-Y74 WeakPolarHBondContact O-CB 3.25Å; M71-Y74 PolarHBondContact O-N 2.99Å; Y74-L76 PolarHBondContact O-N 2.92Å; Y74-G78 WeakPolarHBondContact O-CA 3.38Å; Y74-G78 PolarHBondContact O-N 3.5Å; Y74-N92 WeakPolarHBondContact CD2-ND2 3.27Å; Y74-N92 WeakPolarHBondContact CD2-OD1 3.47Å; Y74-N92 WeakPolarHBondContact CE2-ND2 3.33Å; Y74-N92 WeakPolarHBondContact CE2-OD1 3.44Å; Y74-Y188 AromaticContact CE1-CD2 3.65Å; Y74-Y188 HydrophobicContact CE1-CD2 3.65Å; Y74-Y188 AromaticContact CE1-CE2 3.91Å; Y74-Y188 HydrophobicContact CE1-CE2 3.91Å; Y74-Y188 HydrophobicContact CE2-CD2 4.22Å; Y74-Y188 AromaticContact CZ-CD2 3.47Å; Y74-Y188 VanDerWaalsContact CZ-CD2 3.47Å; Y74-Y188 VanDerWaalsContact OH-CD2 3.29Å; Y74-Y188 WeakPolarHBondContact OH-CD2 3.49Å; Y74-E193 WeakPolarHBondContact CE1-OE1 3.45Å; Y74-E193 PolarHBondContact OH-OE1 2.93Å
75F92.1Very high90.2Very high1 Ų146.2 Ų46.20%0.00423%0.227CC..Hα-helixtrans-67.1-33.8179.2-77-59.8000113.7S14 L18 P19 Y22 M71 S72 I73 Y188 N292S14-F75 WeakPolarHBondContact O-CB 3.33Å; L18-F75 HydrophobicContact CB-CD2 4.27Å; L18-F75 HydrophobicContact CD1-CE1 4.11Å; L18-F75 HydrophobicContact CD1-CE2 4.22Å; L18-F75 HydrophobicContact CD1-CZ 3.98Å; P19-F75 HydrophobicContact CG-CB 3.76Å; Y22-F75 HydrophobicContact CD2-CD2 4.29Å; Y22-F75 HydrophobicContact CD2-CE2 4.35Å; Y22-F75 HydrophobicContact CE2-CD2 4.03Å; Y22-F75 AromaticContact CE2-CE2 3.64Å; Y22-F75 HydrophobicContact CE2-CE2 3.64Å; M71-F75 HydrophobicContact CB-CE2 4.46Å; M71-F75 HydrophobicContact CE-CE2 4.02Å; M71-F75 HydrophobicContact CE-CZ 4.39Å; M71-F75 WeakPolarHBondContact O-CD2 3.47Å; M71-F75 PolarHBondContact O-N 3.47Å; S72-F75 PolarHBondContact O-N 3.15Å; I73-F75 PolarHBondContact O-N 2.96Å; F75-Y188 HydrophobicContact CD1-CE2 4.01Å; F75-Y188 AromaticContact CE1-CE2 3.92Å; F75-Y188 HydrophobicContact CE1-CE2 3.92Å; F75-N292 HydrophobicContact CE1-CB 4.24Å; F75-N292 HydrophobicContact CZ-CB 3.93Å
76L92Very high89.8Confident92 Ų9249.5 Ų49.548%0.48225%0.253SS..Hα-helixtrans-77.3-37.3179.2-72.3170.4000113.5S15 P19 S72 I73 Y74S15-L76 WeakPolarHBondContact O-CD2 3.48Å; P19-L76 HydrophobicContact CB-CD1 4.04Å; P19-L76 HydrophobicContact CB-CD2 3.94Å; P19-L76 HydrophobicContact CB-CG 3.77Å; P19-L76 HydrophobicContact CG-CD2 3.81Å; P19-L76 HydrophobicContact CG-CG 3.73Å; S72-L76 WeakPolarHBondContact O-CB 3.42Å; S72-L76 VanDerWaalsContact O-CG 3.28Å; S72-L76 WeakPolarHBondContact O-CG 3.41Å; S72-L76 PolarHBondContact O-N 3.33Å; I73-L76 PolarHBondContact O-N 3.18Å; Y74-L76 PolarHBondContact O-N 2.92Å
77K90Very high89.6Confident83 Ų8352.1 Ų52.136%0.36126%0.26SS..Hα-helixtrans-113.3-8.2-169.7-64.7-59.4-166-175.40114.1I73 F79 Q80 W81I73-K77 WeakPolarHBondContact O-CB 3.45Å; I73-K77 PolarHBondContact O-N 3.26Å; K77-F79 PolarHBondContact O-N 3.05Å; K77-F79 VanDerWaalsContact O-N 3.11Å; K77-Q80 PolarHBondContact O-N 3.29Å; K77-W81 HydrophobicContact CB-CD2 3.6Å; K77-W81 HydrophobicContact CB-CE3 3.8Å; K77-W81 HydrophobicContact CB-CG 4.26Å; K77-W81 HydrophobicContact CB-CH2 3.91Å; K77-W81 HydrophobicContact CB-CZ2 3.68Å; K77-W81 HydrophobicContact CB-CZ3 3.94Å; K77-W81 HydrophobicContact CG-CH2 4.19Å; K77-W81 HydrophobicContact CG-CZ2 3.79Å; K77-W81 PolarHBondContact O-N 3.09Å
78G84Confident89.4Confident0 Ų052.1 Ų52.10%026%0.26CS..THydrogen-bonded Turntrans-59.5-26.9-175.500000114.4Y74 C187 Y188Y74-G78 WeakPolarHBondContact O-CA 3.38Å; Y74-G78 PolarHBondContact O-N 3.5Å; G78-C187 WeakPolarHBondContact O-CB 3.41Å; G78-C187 PolarHBondContact O-N 3.47Å; G78-Y188 PolarHBondContact O-N 3.32Å
79F84.7Confident89.1Confident52 Ų5257.1 Ų57.123%0.22828%0.279CS..THydrogen-bonded Turntrans-86.1-11.3175.7-57.2-82.9000114.2P10 K77 Y188P10-F79 HydrophobicContact CB-CD2 4.12Å; P10-F79 HydrophobicContact CB-CE1 3.93Å; P10-F79 HydrophobicContact CB-CE2 3.44Å; P10-F79 VanDerWaalsContact CB-CE2 3.44Å; P10-F79 HydrophobicContact CB-CZ 3.3Å; P10-F79 HydrophobicContact CG-CD1 3.86Å; P10-F79 HydrophobicContact CG-CD2 3.97Å; P10-F79 HydrophobicContact CG-CE1 3.57Å; P10-F79 HydrophobicContact CG-CE2 3.73Å; P10-F79 HydrophobicContact CG-CG 4.04Å; P10-F79 HydrophobicContact CG-CZ 3.48Å; P10-F79 VanDerWaalsContact CG-CZ 3.48Å; K77-F79 PolarHBondContact O-N 3.05Å; K77-F79 VanDerWaalsContact O-N 3.11Å; F79-Y188 HydrophobicContact CD1-CD1 4.18Å; F79-Y188 HydrophobicContact CD1-CG 4.45Å; F79-Y188 AromaticContact CE1-CD1 3.17Å; F79-Y188 HydrophobicContact CE1-CD1 3.17Å; F79-Y188 AromaticContact CE1-CE1 3.77Å; F79-Y188 HydrophobicContact CE1-CE1 3.77Å; F79-Y188 AromaticContact CE1-CG 3.74Å; F79-Y188 HydrophobicContact CE1-CG 3.74Å; F79-Y188 AromaticContact CE2-CD1 3.99Å; F79-Y188 HydrophobicContact CE2-CD1 3.99Å; F79-Y188 HydrophobicContact CE2-CD2 4.23Å; F79-Y188 HydrophobicContact CE2-CE1 4.38Å; F79-Y188 AromaticContact CE2-CG 3.88Å; F79-Y188 HydrophobicContact CE2-CG 3.88Å; F79-Y188 AromaticContact CZ-CD1 3.06Å; F79-Y188 HydrophobicContact CZ-CD1 3.06Å; F79-Y188 HydrophobicContact CZ-CD2 4.04Å; F79-Y188 AromaticContact CZ-CE1 3.35Å; F79-Y188 HydrophobicContact CZ-CE1 3.35Å; F79-Y188 HydrophobicContact CZ-CE2 4.32Å; F79-Y188 AromaticContact CZ-CG 3.41Å; F79-Y188 HydrophobicContact CZ-CG 3.41Å; F79-Y188 VanDerWaalsContact CZ-CG 3.41Å
80Q86.9Confident88.9Confident128 Ų12859 Ų5960%0.59829%0.29SS*.THydrogen-bonded Turntrans-102.1-28.3178.9-59.5-170.1-39.500111.6K77K77-Q80 PolarHBondContact O-N 3.29Å
81W89.1Confident88.8Confident57 Ų5756.7 Ų56.722%0.21628%0.281CS..SBendtrans-89.3134.9-178.5-67.8-17.5000111.4I73 K77 Q87 C88 V91 L186 C187I73-W81 HydrophobicContact CG2-CH2 3.23Å; I73-W81 HydrophobicContact CG2-CZ2 4.26Å; I73-W81 HydrophobicContact CG2-CZ3 3.59Å; K77-W81 HydrophobicContact CB-CD2 3.6Å; K77-W81 HydrophobicContact CB-CE3 3.8Å; K77-W81 HydrophobicContact CB-CG 4.26Å; K77-W81 HydrophobicContact CB-CH2 3.91Å; K77-W81 HydrophobicContact CB-CZ2 3.68Å; K77-W81 HydrophobicContact CB-CZ3 3.94Å; K77-W81 HydrophobicContact CG-CH2 4.19Å; K77-W81 HydrophobicContact CG-CZ2 3.79Å; K77-W81 PolarHBondContact O-N 3.09Å; W81-Q87 HydrophobicContact CD2-CB 4.16Å; W81-Q87 HydrophobicContact CE3-CB 4.15Å; W81-Q87 HydrophobicContact CH2-CB 3.94Å; W81-Q87 HydrophobicContact CZ2-CB 3.98Å; W81-Q87 HydrophobicContact CZ2-CG 4.45Å; W81-Q87 HydrophobicContact CZ3-CB 4.04Å; W81-C88 HydrophobicContact CB-CB 4.4Å; W81-C88 HydrophobicContact CE3-CB 4.43Å; W81-V91 HydrophobicContact CH2-CG2 4.29Å; W81-V91 HydrophobicContact CZ3-CB 4.38Å; W81-V91 HydrophobicContact CZ3-CG2 3.98Å; W81-L186 CarbonylContact O-C 3.56Å; W81-C187 HydrophobicContact CB-CB 4.02Å; W81-C187 VanDerWaalsContact O-CB 3.24Å; W81-C187 WeakPolarHBondContact O-CB 3.42Å; W81-C187 PolarHBondContact O-N 2.82Å
82E85.8Confident88.6Confident118 Ų11856.5 Ų56.555%0.55128%0.28SS*.BIsolated β-bridgetrans-72.3144.8164.1-64.8179-177.300109.6Q84 S85 S185E82-Q84 PolarHBondContact O-N 3.18Å; E82-S85 WeakPolarHBondContact O-CB 3.22Å; E82-S85 PolarHBondContact O-N 3.31Å; E82-S85 PolarHBondContact O-OG 3.45Å; E82-S185 CarbonylContact C-O 3.45Å; E82-S185 WeakPolarHBondContact CA-O 3.19Å
83Y78.9Confident88.4Confident17 Ų1758.9 Ų58.97%0.06729%0.289CS..THydrogen-bonded Turntrans-60.7-32.5177.6164-108.7000112.5S85 R89 S175 A179 T180 S185 M192Y83-S85 PolarHBondContact O-N 3.23Å; Y83-S85 VanDerWaalsContact O-N 3.16Å; Y83-R89 HydrophobicContact CD2-CG 4.48Å; Y83-R89 HydrophobicContact CE2-CG 3.99Å; Y83-R89 WeakPolarHBondContact O-CG 3.19Å; Y83-R89 PolarHBondContact O-NE 3.37Å; Y83-S175 PolarHBondContact OH-O 3.49Å; Y83-A179 HydrophobicContact CE1-CB 4.2Å; Y83-A179 VanDerWaalsContact CE1-O 3.26Å; Y83-A179 WeakPolarHBondContact CE1-O 3.48Å; Y83-A179 HydrophobicContact CE2-CB 3.82Å; Y83-A179 VanDerWaalsContact CZ-CB 3.48Å; Y83-A179 WeakPolarHBondContact OH-CB 3.35Å; Y83-T180 HydrophobicContact CE1-CG2 3.84Å; Y83-S185 PolarHBondContact N-O 3.17Å; Y83-M192 HydrophobicContact CD2-CE 3.14Å; Y83-M192 HydrophobicContact CE2-CE 3.18Å; Y83-M192 HydrophobicContact CG-CE 3.9Å
84Q80.3Confident88.3Confident152 Ų15258.7 Ų58.771%0.7129%0.289SS*.THydrogen-bonded Turntrans-66.8-15.2177.4-61.4-172900113.1E82E82-Q84 PolarHBondContact O-N 3.18Å
85S86.3Confident88.3Confident24 Ų2458.5 Ų58.517%0.16829%0.288CS..SBendtrans-64.7138.4176.575.80000111.7E82 Y83 Q87 C88 R89E82-S85 WeakPolarHBondContact O-CB 3.22Å; E82-S85 PolarHBondContact O-N 3.31Å; E82-S85 PolarHBondContact O-OG 3.45Å; Y83-S85 PolarHBondContact O-N 3.23Å; Y83-S85 VanDerWaalsContact O-N 3.16Å; S85-Q87 PolarHBondContact O-N 3.1Å; S85-C88 PolarHBondContact O-N 3.5Å; S85-C88 WeakPolarHBondContact OG-CB 3.12Å; S85-C88 PolarHBondContact OG-N 3.42Å; S85-R89 PolarHBondContact O-N 3.29Å
86A87.6Confident88.2Confident68 Ų6860 Ų6056%0.56230%0.297SS*.Hα-helixtrans-59.6-34.1176.400000111.6R89 V90A86-R89 PolarHBondContact O-N 3.3Å; A86-V90 WeakPolarHBondContact O-CB 3.16Å; A86-V90 VanDerWaalsContact O-CG2 3.24Å; A86-V90 WeakPolarHBondContact O-CG2 3.5Å; A86-V90 PolarHBondContact O-N 3.19Å
87Q90.2Very high88.3Confident107 Ų10756.9 Ų56.950%0.528%0.281SS..Hα-helixtrans-60.4-51.2178.6-60.187.9-21.300111.3W81 S85 R89 V91W81-Q87 HydrophobicContact CD2-CB 4.16Å; W81-Q87 HydrophobicContact CE3-CB 4.15Å; W81-Q87 HydrophobicContact CH2-CB 3.94Å; W81-Q87 HydrophobicContact CZ2-CB 3.98Å; W81-Q87 HydrophobicContact CZ2-CG 4.45Å; W81-Q87 HydrophobicContact CZ3-CB 4.04Å; S85-Q87 PolarHBondContact O-N 3.1Å; Q87-R89 PolarHBondContact O-N 2.88Å; Q87-V91 VanDerWaalsContact O-CB 3.29Å; Q87-V91 WeakPolarHBondContact O-CB 3.47Å; Q87-V91 WeakPolarHBondContact O-CG2 3.23Å; Q87-V91 PolarHBondContact O-N 3.5Å
88C89.4Confident88.5Confident0 Ų053.6 Ų53.60%027%0.269CS..Hα-helixtrans-58.9-49.5178.7174.40000111.4W81 S85 V90 V91 N92 C187W81-C88 HydrophobicContact CB-CB 4.4Å; W81-C88 HydrophobicContact CE3-CB 4.43Å; S85-C88 PolarHBondContact O-N 3.5Å; S85-C88 WeakPolarHBondContact OG-CB 3.12Å; S85-C88 PolarHBondContact OG-N 3.42Å; C88-V90 PolarHBondContact O-N 3.11Å; C88-V91 PolarHBondContact O-N 3.47Å; C88-N92 WeakPolarHBondContact O-CB 3.35Å; C88-N92 PolarHBondContact O-N 3.24Å; C88-C187 HydrophobicContact CB-CB 3.7Å; C88-C187 WeakPolarHBondContact CB-SG 3.47Å; C88-C187 WeakPolarHBondContact SG-CB 3.49Å; C88-C187 CovalentContact SG-SG 2.02Å; C88-C187 PolarHBondContact SG-SG 2.7Å
89R89.1Confident88.9Confident105 Ų10554 Ų5440%0.39627%0.27SS..Hα-helixtrans-61.9-46.3-176.7-65.2-173.7-171.4-162.12.7111.9Y83 S85 A86 Q87 F93Y83-R89 HydrophobicContact CD2-CG 4.48Å; Y83-R89 HydrophobicContact CE2-CG 3.99Å; Y83-R89 WeakPolarHBondContact O-CG 3.19Å; Y83-R89 PolarHBondContact O-NE 3.37Å; S85-R89 PolarHBondContact O-N 3.29Å; A86-R89 PolarHBondContact O-N 3.3Å; Q87-R89 PolarHBondContact O-N 2.88Å; R89-F93 WeakPolarHBondContact O-CB 3.23Å; R89-F93 PolarHBondContact O-N 3.01Å
90V90.8Very high89.2Confident79 Ų7953.9 Ų53.948%0.47927%0.27SS..Hα-helixtrans-64.9-46.5179.7170.90000110.9A86 C88 F93 L94A86-V90 WeakPolarHBondContact O-CB 3.16Å; A86-V90 VanDerWaalsContact O-CG2 3.24Å; A86-V90 WeakPolarHBondContact O-CG2 3.5Å; A86-V90 PolarHBondContact O-N 3.19Å; C88-V90 PolarHBondContact O-N 3.11Å; V90-F93 PolarHBondContact O-N 2.99Å; V90-L94 HydrophobicContact CG1-CD1 3.69Å; V90-L94 HydrophobicContact CG1-CG 4.3Å; V90-L94 VanDerWaalsContact O-CB 3.32Å; V90-L94 WeakPolarHBondContact O-CB 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.33Å; V90-L94 PolarHBondContact O-N 3.41Å
91V92.4Very high89.5Confident13 Ų1347.8 Ų47.88%0.07924%0.242CC..Hα-helixtrans-63.1-47.8-179169.50000111.1F70 I73 W81 Q87 C88 G95F70-V91 HydrophobicContact CB-CG1 4.08Å; F70-V91 HydrophobicContact CD1-CG2 4.24Å; F70-V91 WeakPolarHBondContact O-CG1 3.36Å; I73-V91 HydrophobicContact CB-CG1 4.37Å; I73-V91 HydrophobicContact CG2-CG1 4.28Å; I73-V91 HydrophobicContact CG2-CG2 4.12Å; W81-V91 HydrophobicContact CH2-CG2 4.29Å; W81-V91 HydrophobicContact CZ3-CB 4.38Å; W81-V91 HydrophobicContact CZ3-CG2 3.98Å; Q87-V91 VanDerWaalsContact O-CB 3.29Å; Q87-V91 WeakPolarHBondContact O-CB 3.47Å; Q87-V91 WeakPolarHBondContact O-CG2 3.23Å; Q87-V91 PolarHBondContact O-N 3.5Å; C88-V91 PolarHBondContact O-N 3.47Å; V91-G95 PolarHBondContact O-N 3.2Å
92N88.9Confident89.7Confident15 Ų1545.2 Ų45.28%0.0823%0.233CC..Hα-helixtrans-66-44.9178.2-93.7-51.1000112.4Y74 C88 T96 C187Y74-N92 WeakPolarHBondContact CD2-ND2 3.27Å; Y74-N92 WeakPolarHBondContact CD2-OD1 3.47Å; Y74-N92 WeakPolarHBondContact CE2-ND2 3.33Å; Y74-N92 WeakPolarHBondContact CE2-OD1 3.44Å; C88-N92 WeakPolarHBondContact O-CB 3.35Å; C88-N92 PolarHBondContact O-N 3.24Å; N92-T96 WeakPolarHBondContact O-CB 3.12Å; N92-T96 PolarHBondContact O-N 2.89Å; N92-T96 PolarHBondContact O-OG1 3.47Å; N92-C187 PolarHBondContact ND2-SG 2.89Å
93F90.8Very high89.9Confident56 Ų5640 Ų4025%0.24621%0.208CC..Hα-helixtrans-61.1-52.8179.7177.5-96.6000111.1R89 V90 L97 T171 I172R89-F93 WeakPolarHBondContact O-CB 3.23Å; R89-F93 PolarHBondContact O-N 3.01Å; V90-F93 PolarHBondContact O-N 2.99Å; F93-L97 HydrophobicContact CE1-CD2 3.82Å; F93-L97 HydrophobicContact CZ-CD2 3.89Å; F93-L97 WeakPolarHBondContact O-CB 3.24Å; F93-L97 PolarHBondContact O-N 2.76Å; F93-T171 HydrophobicContact CD2-CG2 3.79Å; F93-T171 HydrophobicContact CE2-CG2 3.93Å; F93-I172 HydrophobicContact CE2-CG1 3.73Å; F93-I172 HydrophobicContact CZ-CG1 4.17Å
94L92.8Very high90.5Very high61 Ų6140.3 Ų40.332%0.31921%0.21SC..Hα-helixtrans-66.9-41.5-178.3-68.7178.5000112.1F70 V90 S98F70-L94 HydrophobicContact CD1-CB 4.41Å; F70-L94 HydrophobicContact CD2-CB 4.49Å; F70-L94 HydrophobicContact CE1-CB 4.39Å; F70-L94 HydrophobicContact CE1-CD1 3.82Å; F70-L94 HydrophobicContact CE2-CB 4.46Å; F70-L94 HydrophobicContact CG-CB 4.46Å; F70-L94 HydrophobicContact CZ-CB 4.41Å; F70-L94 HydrophobicContact CZ-CD1 3.85Å; V90-L94 HydrophobicContact CG1-CD1 3.69Å; V90-L94 HydrophobicContact CG1-CG 4.3Å; V90-L94 VanDerWaalsContact O-CB 3.32Å; V90-L94 WeakPolarHBondContact O-CB 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.33Å; V90-L94 PolarHBondContact O-N 3.41Å; L94-S98 WeakPolarHBondContact O-CB 3.46Å; L94-S98 PolarHBondContact O-N 3.41Å; L94-S98 PolarHBondContact O-OG 2.87Å
95G92.3Very high91.2Very high0 Ų033.1 Ų33.10%018%0.176CC..Hα-helixtrans-61.7-53.5177.500000111.8V91 M99V91-G95 PolarHBondContact O-N 3.2Å; G95-M99 WeakPolarHBondContact O-CB 3.28Å; G95-M99 WeakPolarHBondContact O-CG 3.26Å; G95-M99 PolarHBondContact O-N 3.43Å
96T90.6Very high91.4Very high33 Ų3332.2 Ų32.220%0.20217%0.17CC..Hα-helixtrans-62.6-48.7-179.6-59.40000111.5N92 S98 M99 H100 T171N92-T96 WeakPolarHBondContact O-CB 3.12Å; N92-T96 PolarHBondContact O-N 2.89Å; N92-T96 PolarHBondContact O-OG1 3.47Å; T96-S98 PolarHBondContact O-N 2.97Å; T96-M99 PolarHBondContact O-N 3.45Å; T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-CD2 3.16Å; T96-H100 VanDerWaalsContact O-CD2 3.29Å; T96-H100 PolarHBondContact O-N 3.42Å; T96-T171 HydrophobicContact CG2-CG2 4.26Å
97L93.6Very high91.5Very high27 Ų2729.1 Ų29.114%0.14114%0.144CC..Hα-helixtrans-58.6-52.6179.5177.562.2000110.9F93 H100 V101 I167 I168 T171F93-L97 HydrophobicContact CE1-CD2 3.82Å; F93-L97 HydrophobicContact CZ-CD2 3.89Å; F93-L97 WeakPolarHBondContact O-CB 3.24Å; F93-L97 PolarHBondContact O-N 2.76Å; L97-H100 PolarHBondContact O-N 3.37Å; L97-V101 HydrophobicContact CD1-CG2 3.85Å; L97-V101 HydrophobicContact CG-CG2 4.42Å; L97-V101 WeakPolarHBondContact O-CB 3.47Å; L97-V101 WeakPolarHBondContact O-CG2 3.39Å; L97-V101 PolarHBondContact O-N 3.2Å; L97-I167 HydrophobicContact CD1-CG2 3.95Å; L97-I168 HydrophobicContact CD1-CG1 3.75Å; L97-T171 HydrophobicContact CB-CG2 4.23Å
98S94.4Very high91.5Very high14 Ų1425.9 Ų25.910%0.09813%0.13CC..Hα-helixtrans-65.7-42.3-175.7-57.90000111.4L94 T96 S102L94-S98 WeakPolarHBondContact O-CB 3.46Å; L94-S98 PolarHBondContact O-N 3.41Å; L94-S98 PolarHBondContact O-OG 2.87Å; T96-S98 PolarHBondContact O-N 2.97Å; S98-S102 VanDerWaalsContact O-CB 3.23Å; S98-S102 WeakPolarHBondContact O-CB 3.28Å; S98-S102 PolarHBondContact O-N 3.08Å; S98-S102 PolarHBondContact O-OG 3.3Å; S98-S102 VanDerWaalsContact O-OG 3.09Å
99M91.7Very high91.6Very high8 Ų825.9 Ų25.94%0.03913%0.13CC..Hα-helixtrans-61-50.3176-79.7-143.916700112.2Y22 V64 A67 M68 M71 G95 T96 S102 M103 T295 S299Y22-M99 HydrophobicContact CD1-CE 4.28Å; Y22-M99 HydrophobicContact CE1-CE 3.5Å; V64-M99 HydrophobicContact CG2-CE 4.46Å; V64-M99 HydrophobicContact CG2-CG 4.25Å; A67-M99 HydrophobicContact CB-CG 3.8Å; M68-M99 HydrophobicContact CG-CE 4.4Å; M71-M99 HydrophobicContact CB-CE 4.35Å; M71-M99 HydrophobicContact CG-CE 3.53Å; M71-M99 HydrophobicContact CG-SD 4.08Å; G95-M99 WeakPolarHBondContact O-CB 3.28Å; G95-M99 WeakPolarHBondContact O-CG 3.26Å; G95-M99 PolarHBondContact O-N 3.43Å; T96-M99 PolarHBondContact O-N 3.45Å; M99-S102 PolarHBondContact O-N 2.89Å; M99-M103 WeakPolarHBondContact O-CB 3.46Å; M99-M103 VanDerWaalsContact O-CG 3.31Å; M99-M103 WeakPolarHBondContact O-CG 3.44Å; M99-M103 PolarHBondContact O-N 3.1Å; M99-T295 HydrophobicContact SD-CG2 4.19Å; M99-S299 WeakPolarHBondContact CE-OG 3.49Å
100H90.6Very high91.5Very high49 Ų4921.5 Ų21.523%0.22712%0.115CC..Hα-helixtrans-65.9-47.8-177.7-82.2-62.9000112T96 L97 S102 M103 F104 I167T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-CD2 3.16Å; T96-H100 VanDerWaalsContact O-CD2 3.29Å; T96-H100 PolarHBondContact O-N 3.42Å; L97-H100 PolarHBondContact O-N 3.37Å; H100-S102 VanDerWaalsContact C-N 3.32Å; H100-S102 PolarHBondContact O-N 2.98Å; H100-M103 PolarHBondContact O-N 3.23Å; H100-F104 WeakPolarHBondContact O-CD2 3.45Å; H100-F104 PolarHBondContact O-N 3.22Å; H100-I167 HydrophobicContact CB-CG2 3.82Å
101V94.5Very high91.4Very high1 Ų118.3 Ų18.31%0.00610%0.096CC..Hα-helixtrans-55.8-49.7177.8170.50000110.4L63 L97 M103 F104 V105 W160 V163 L164 I167L63-V101 HydrophobicContact CD2-CB 4.18Å; L63-V101 HydrophobicContact CD2-CG1 3.74Å; L97-V101 HydrophobicContact CD1-CG2 3.85Å; L97-V101 HydrophobicContact CG-CG2 4.42Å; L97-V101 WeakPolarHBondContact O-CB 3.47Å; L97-V101 WeakPolarHBondContact O-CG2 3.39Å; L97-V101 PolarHBondContact O-N 3.2Å; V101-M103 PolarHBondContact O-N 3.25Å; V101-F104 PolarHBondContact O-N 3.28Å; V101-V105 HydrophobicContact CG1-CG2 4.23Å; V101-V105 WeakPolarHBondContact O-CB 3.17Å; V101-V105 VanDerWaalsContact O-CG2 3.26Å; V101-V105 WeakPolarHBondContact O-CG2 3.41Å; V101-V105 PolarHBondContact O-N 2.94Å; V101-W160 HydrophobicContact CG1-CE3 4.21Å; V101-W160 HydrophobicContact CG1-CH2 4.42Å; V101-W160 HydrophobicContact CG1-CZ3 3.63Å; V101-V163 HydrophobicContact CB-CG1 4.46Å; V101-V163 HydrophobicContact CG1-CG1 4.29Å; V101-V163 HydrophobicContact CG2-CG1 4.48Å; V101-L164 HydrophobicContact CG1-CD2 3.82Å; V101-L164 HydrophobicContact CG1-CG 4.47Å; V101-L164 HydrophobicContact CG2-CD2 3.88Å; V101-I167 HydrophobicContact CG2-CB 3.98Å; V101-I167 HydrophobicContact CG2-CG1 4.47Å; V101-I167 HydrophobicContact CG2-CG2 3.86Å
102S93.7Very high91.2Very high2 Ų220.7 Ų20.71%0.01410%0.103CC..Hα-helixtrans-61.4-45.4178.7-73.70000113.2A60 L63 V64 S98 M99 H100 F104 S106A60-S102 VanDerWaalsContact O-CB 3.27Å; A60-S102 WeakPolarHBondContact O-CB 3.48Å; A60-S102 PolarHBondContact O-OG 2.86Å; L63-S102 VanDerWaalsContact CB-OG 3.24Å; L63-S102 WeakPolarHBondContact CB-OG 3.47Å; L63-S102 WeakPolarHBondContact CD2-OG 3.33Å; L63-S102 VanDerWaalsContact CG-OG 3.29Å; L63-S102 WeakPolarHBondContact CG-OG 3.49Å; V64-S102 PolarHBondContact N-OG 3.25Å; S98-S102 VanDerWaalsContact O-CB 3.23Å; S98-S102 WeakPolarHBondContact O-CB 3.28Å; S98-S102 PolarHBondContact O-N 3.08Å; S98-S102 PolarHBondContact O-OG 3.3Å; S98-S102 VanDerWaalsContact O-OG 3.09Å; M99-S102 PolarHBondContact O-N 2.89Å; H100-S102 VanDerWaalsContact C-N 3.32Å; H100-S102 PolarHBondContact O-N 2.98Å; S102-F104 PolarHBondContact O-N 3.44Å; S102-S106 WeakPolarHBondContact O-CB 3.17Å; S102-S106 PolarHBondContact O-N 2.88Å; S102-S106 PolarHBondContact O-OG 3.18Å; S102-S106 VanDerWaalsContact O-OG 3.07Å
103M89.4Confident91Very high9 Ų921.2 Ų21.24%0.04411%0.106CC..Hα-helixtrans-59.2-48.7178.8-76.8-173.7-178.900111.4M99 H100 V101 L107 F262 Y265 T295 A298M99-M103 WeakPolarHBondContact O-CB 3.46Å; M99-M103 VanDerWaalsContact O-CG 3.31Å; M99-M103 WeakPolarHBondContact O-CG 3.44Å; M99-M103 PolarHBondContact O-N 3.1Å; H100-M103 PolarHBondContact O-N 3.23Å; V101-M103 PolarHBondContact O-N 3.25Å; M103-L107 WeakPolarHBondContact O-CB 3.42Å; M103-L107 WeakPolarHBondContact O-CD1 3.34Å; M103-L107 VanDerWaalsContact O-CG 3.26Å; M103-L107 WeakPolarHBondContact O-CG 2.96Å; M103-L107 PolarHBondContact O-N 3.36Å; M103-F262 HydrophobicContact CG-CE1 4.13Å; M103-F262 HydrophobicContact CG-CZ 4.27Å; M103-F262 HydrophobicContact SD-CE1 4.27Å; M103-Y265 HydrophobicContact SD-CE1 4.4Å; M103-T295 HydrophobicContact CE-CG2 4.29Å; M103-A298 HydrophobicContact CE-CB 3.8Å
104F91.6Very high90.6Very high24 Ų2419.2 Ų19.211%0.10510%0.1CC..Hα-helixtrans-65.8-46.3180-79.8-72.4000112.5H100 V101 S102 L107 L108 V163 I167 G206 F209 I210H100-F104 WeakPolarHBondContact O-CD2 3.45Å; H100-F104 PolarHBondContact O-N 3.22Å; V101-F104 PolarHBondContact O-N 3.28Å; S102-F104 PolarHBondContact O-N 3.44Å; F104-L107 PolarHBondContact O-N 3.25Å; F104-L108 WeakPolarHBondContact O-CB 3.4Å; F104-L108 VanDerWaalsContact O-CG 3.31Å; F104-L108 WeakPolarHBondContact O-CG 3.47Å; F104-L108 PolarHBondContact O-N 2.92Å; F104-V163 HydrophobicContact CB-CG1 3.75Å; F104-V163 HydrophobicContact CB-CG2 4.03Å; F104-I167 HydrophobicContact CD2-CD1 3.69Å; F104-I167 HydrophobicContact CD2-CG1 4.19Å; F104-I167 HydrophobicContact CE2-CD1 3.63Å; F104-G206 WeakPolarHBondContact CE1-O 3.44Å; F104-F209 HydrophobicContact CD1-CD1 4.1Å; F104-F209 HydrophobicContact CE1-CD1 4.04Å; F104-I210 HydrophobicContact CD1-CD1 4.17Å; F104-I210 HydrophobicContact CD1-CG1 3.93Å; F104-I210 HydrophobicContact CE1-CD1 3.68Å; F104-I210 HydrophobicContact CE1-CG1 3.54Å; F104-I210 HydrophobicContact CE2-CD1 4.22Å; F104-I210 HydrophobicContact CZ-CD1 3.68Å; F104-I210 HydrophobicContact CZ-CG1 4.08Å
105V94.4Very high90.1Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-61.8-48.5178.6171.30000110.7A60 V101 L107 L108 I109 I159 W160 V163A60-V105 HydrophobicContact CB-CB 4.17Å; A60-V105 HydrophobicContact CB-CG1 3.81Å; V101-V105 HydrophobicContact CG1-CG2 4.23Å; V101-V105 WeakPolarHBondContact O-CB 3.17Å; V101-V105 VanDerWaalsContact O-CG2 3.26Å; V101-V105 WeakPolarHBondContact O-CG2 3.41Å; V101-V105 PolarHBondContact O-N 2.94Å; V105-L107 PolarHBondContact O-N 2.92Å; V105-L108 PolarHBondContact O-N 3.32Å; V105-I109 HydrophobicContact CG1-CD1 3.61Å; V105-I109 HydrophobicContact CG1-CG1 4.34Å; V105-I109 WeakPolarHBondContact O-CB 3.46Å; V105-I109 VanDerWaalsContact O-CG1 3.28Å; V105-I109 WeakPolarHBondContact O-CG1 3.37Å; V105-I109 PolarHBondContact O-N 3.32Å; V105-I159 HydrophobicContact CG2-CG2 4.49Å; V105-W160 HydrophobicContact CG1-CD2 4.25Å; V105-W160 HydrophobicContact CG1-CZ2 3.83Å; V105-W160 HydrophobicContact CG2-CD2 4.03Å; V105-W160 HydrophobicContact CG2-CE3 4.04Å; V105-W160 HydrophobicContact CG2-CH2 4.48Å; V105-W160 HydrophobicContact CG2-CZ2 4.46Å; V105-W160 HydrophobicContact CG2-CZ3 4.27Å; V105-V163 HydrophobicContact CG2-CB 4Å; V105-V163 HydrophobicContact CG2-CG1 3.98Å; V105-V163 HydrophobicContact CG2-CG2 4.08Å
106S91.5Very high89.4Confident5 Ų519.2 Ų19.24%0.03510%0.102CC..Hα-helixtrans-60.3-45.3-179.1-70.30000111.6A60 S102 I109 L110A60-S106 WeakPolarHBondContact CB-OG 3.48Å; S102-S106 WeakPolarHBondContact O-CB 3.17Å; S102-S106 PolarHBondContact O-N 2.88Å; S102-S106 PolarHBondContact O-OG 3.18Å; S102-S106 VanDerWaalsContact O-OG 3.07Å; S106-I109 PolarHBondContact O-N 3.46Å; S106-L110 WeakPolarHBondContact O-CB 3.36Å; S106-L110 WeakPolarHBondContact O-CD1 3.4Å; S106-L110 WeakPolarHBondContact O-CG 3.27Å; S106-L110 PolarHBondContact O-N 3.14Å
107L88.3Confident88.7Confident4 Ų421.7 Ų21.72%0.02111%0.108CC..Hα-helixtrans-65-45.1178.6-73.2169000112.5M103 F104 V105 I109 L110 S111 I210 L258 F262M103-L107 WeakPolarHBondContact O-CB 3.42Å; M103-L107 WeakPolarHBondContact O-CD1 3.34Å; M103-L107 VanDerWaalsContact O-CG 3.26Å; M103-L107 WeakPolarHBondContact O-CG 2.96Å; M103-L107 PolarHBondContact O-N 3.36Å; F104-L107 PolarHBondContact O-N 3.25Å; V105-L107 PolarHBondContact O-N 2.92Å; L107-I109 VanDerWaalsContact C-N 3.33Å; L107-I109 PolarHBondContact O-N 3.29Å; L107-L110 PolarHBondContact O-N 3.29Å; L107-L110 VanDerWaalsContact O-N 3.17Å; L107-S111 WeakPolarHBondContact O-CB 3.5Å; L107-S111 PolarHBondContact O-N 3.34Å; L107-S111 PolarHBondContact O-OG 3.05Å; L107-S111 VanDerWaalsContact O-OG 3.07Å; L107-I210 HydrophobicContact CD1-CB 3.98Å; L107-I210 HydrophobicContact CD1-CD1 4.19Å; L107-I210 HydrophobicContact CD1-CG1 3.64Å; L107-I210 HydrophobicContact CD1-CG2 3.46Å; L107-I210 VanDerWaalsContact CD1-CG2 3.46Å; L107-L258 HydrophobicContact CD2-CD2 4.31Å; L107-F262 HydrophobicContact CD1-CD1 4.45Å; L107-F262 HydrophobicContact CD1-CE1 4.09Å; L107-F262 HydrophobicContact CD1-CZ 4.29Å; L107-F262 HydrophobicContact CD2-CD2 4.11Å; L107-F262 HydrophobicContact CD2-CE2 3.99Å; L107-F262 HydrophobicContact CD2-CG 4.4Å; L107-F262 HydrophobicContact CD2-CZ 4.27Å; L107-F262 HydrophobicContact CG-CE1 4.46Å; L107-F262 HydrophobicContact CG-CE2 4.35Å; L107-F262 HydrophobicContact CG-CZ 4.18Å
108L91.5Very high87.8Confident39 Ų3924 Ų2420%0.20412%0.116CC..Hα-helixtrans-60.4-42.5177.3-78.4174.2000112.2F104 V105 W112 I159 V163 F209F104-L108 WeakPolarHBondContact O-CB 3.4Å; F104-L108 VanDerWaalsContact O-CG 3.31Å; F104-L108 WeakPolarHBondContact O-CG 3.47Å; F104-L108 PolarHBondContact O-N 2.92Å; V105-L108 PolarHBondContact O-N 3.32Å; L108-W112 WeakPolarHBondContact O-CB 3.2Å; L108-W112 PolarHBondContact O-N 3.06Å; L108-I159 HydrophobicContact CB-CD1 4.41Å; L108-I159 HydrophobicContact CB-CG2 3.91Å; L108-I159 HydrophobicContact CD1-CG2 3.8Å; L108-V163 HydrophobicContact CD1-CG2 3.71Å; L108-F209 HydrophobicContact CD1-CE1 4.37Å; L108-F209 HydrophobicContact CD2-CE1 3.59Å; L108-F209 HydrophobicContact CD2-CZ 3.53Å; L108-F209 HydrophobicContact CG-CE1 4.08Å; L108-F209 HydrophobicContact CG-CZ 4.47Å
109I91.4Very high86.8Confident0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-64-43.1175.7-68.6171.8000110.6Y53 H56 L57 V105 S106 L107 W112 I113Y53-I109 WeakPolarHBondContact O-CG2 3.3Å; H56-I109 HydrophobicContact CB-CD1 3.67Å; L57-I109 HydrophobicContact CB-CG2 4.14Å; V105-I109 HydrophobicContact CG1-CD1 3.61Å; V105-I109 HydrophobicContact CG1-CG1 4.34Å; V105-I109 WeakPolarHBondContact O-CB 3.46Å; V105-I109 VanDerWaalsContact O-CG1 3.28Å; V105-I109 WeakPolarHBondContact O-CG1 3.37Å; V105-I109 PolarHBondContact O-N 3.32Å; S106-I109 PolarHBondContact O-N 3.46Å; L107-I109 VanDerWaalsContact C-N 3.33Å; L107-I109 PolarHBondContact O-N 3.29Å; I109-W112 WeakPolarHBondContact O-CB 3.37Å; I109-W112 PolarHBondContact O-N 3.42Å; I109-I113 HydrophobicContact CG2-CD1 3.9Å; I109-I113 HydrophobicContact CG2-CG1 4.43Å; I109-I113 VanDerWaalsContact O-CG1 3.28Å; I109-I113 WeakPolarHBondContact O-CG1 3.38Å; I109-I113 PolarHBondContact O-N 2.67Å
110L87.4Confident85.6Confident13 Ų1325.2 Ų25.27%0.06812%0.123CC..Hα-helixtrans-65.1-45.1178.3-72.4162.8000112.2L57 S106 L107 W112 I113 A114 L258L57-L110 HydrophobicContact CD1-CD1 4.33Å; L57-L110 HydrophobicContact CD1-CG 4.19Å; L57-L110 HydrophobicContact CD2-CD2 3.95Å; L57-L110 HydrophobicContact CD2-CG 4.38Å; S106-L110 WeakPolarHBondContact O-CB 3.36Å; S106-L110 WeakPolarHBondContact O-CD1 3.4Å; S106-L110 WeakPolarHBondContact O-CG 3.27Å; S106-L110 PolarHBondContact O-N 3.14Å; L107-L110 PolarHBondContact O-N 3.29Å; L107-L110 VanDerWaalsContact O-N 3.17Å; L110-W112 VanDerWaalsContact C-N 3.25Å; L110-W112 PolarHBondContact O-N 3.49Å; L110-I113 PolarHBondContact O-N 3.16Å; L110-A114 WeakPolarHBondContact O-CB 3.38Å; L110-A114 PolarHBondContact O-N 2.73Å; L110-L258 HydrophobicContact CD1-CD2 4.28Å
111S87.9Confident84.4Confident12 Ų1223.4 Ų23.48%0.08412%0.115CC..Hα-helixtrans-56.8-43172.3-61.60000110.8L107 A114 V115 S213 V217L107-S111 WeakPolarHBondContact O-CB 3.5Å; L107-S111 PolarHBondContact O-N 3.34Å; L107-S111 PolarHBondContact O-OG 3.05Å; L107-S111 VanDerWaalsContact O-OG 3.07Å; S111-A114 PolarHBondContact O-N 3.28Å; S111-V115 VanDerWaalsContact O-CG2 3.31Å; S111-V115 WeakPolarHBondContact O-CG2 3.36Å; S111-V115 PolarHBondContact O-N 3.48Å; S111-S213 WeakPolarHBondContact OG-CB 3.46Å; S111-S213 PolarHBondContact OG-O 2.81Å; S111-V217 VanDerWaalsContact CA-CG2 3.48Å
112W87.3Confident82.9Confident62 Ų6225.6 Ų25.624%0.23513%0.126CC..Hα-helixtrans-64.7-44177.1-167.1-94.8000113.4Y53 L108 I109 L110 A114 V115 S116 F146 F151 L155Y53-W112 AromaticContact CE1-CD1 3.54Å; Y53-W112 HydrophobicContact CE1-CG 4.49Å; Y53-W112 AromaticContact CE1-NE1 3.91Å; Y53-W112 AromaticContact CE2-CD1 3.81Å; Y53-W112 AromaticContact CZ-CD1 3.3Å; Y53-W112 AromaticContact CZ-NE1 3.36Å; Y53-W112 PolarHBondContact OH-NE1 2.8Å; L108-W112 WeakPolarHBondContact O-CB 3.2Å; L108-W112 PolarHBondContact O-N 3.06Å; I109-W112 WeakPolarHBondContact O-CB 3.37Å; I109-W112 PolarHBondContact O-N 3.42Å; L110-W112 VanDerWaalsContact C-N 3.25Å; L110-W112 PolarHBondContact O-N 3.49Å; W112-A114 VanDerWaalsContact C-N 3.26Å; W112-A114 PolarHBondContact O-N 3.08Å; W112-V115 PolarHBondContact O-N 2.87Å; W112-S116 WeakPolarHBondContact O-CB 3.23Å; W112-S116 PolarHBondContact O-N 3.14Å; W112-F146 AromaticContact CH2-CE1 3.69Å; W112-F146 HydrophobicContact CH2-CE1 3.69Å; W112-F146 HydrophobicContact CH2-CZ 4.19Å; W112-F146 AromaticContact CZ2-CD1 3.63Å; W112-F146 HydrophobicContact CZ2-CD1 3.63Å; W112-F146 AromaticContact CZ2-CE1 3.18Å; W112-F146 HydrophobicContact CZ2-CE1 3.18Å; W112-F146 AromaticContact CZ2-CZ 3.95Å; W112-F146 HydrophobicContact CZ2-CZ 3.95Å; W112-F151 HydrophobicContact CH2-CZ 4.36Å; W112-F151 AromaticContact CZ2-CE1 3.67Å; W112-F151 HydrophobicContact CZ2-CE1 3.67Å; W112-F151 AromaticContact CZ2-CZ 3.87Å; W112-F151 HydrophobicContact CZ2-CZ 3.87Å; W112-L155 HydrophobicContact CD2-CD2 3.31Å; W112-L155 HydrophobicContact CE3-CD2 3.88Å; W112-L155 HydrophobicContact CG-CD2 3.67Å; W112-L155 HydrophobicContact CH2-CD2 3.94Å; W112-L155 HydrophobicContact CZ2-CD2 3.39Å; W112-L155 HydrophobicContact CZ3-CD2 4.17Å; W112-L155 VanDerWaalsContact NE1-CD2 3.29Å
113I84.6Confident81.4Confident27 Ų2729.4 Ų29.414%0.13814%0.144CC..Hα-helixtrans-58.2-43.9174.2-69.8165.7000109.7Y53 L54 I109 L110 S116 R117Y53-I113 HydrophobicContact CD2-CG1 4.29Å; Y53-I113 HydrophobicContact CG-CG1 4.22Å; L54-I113 HydrophobicContact CD2-CD1 4.24Å; I109-I113 HydrophobicContact CG2-CD1 3.9Å; I109-I113 HydrophobicContact CG2-CG1 4.43Å; I109-I113 VanDerWaalsContact O-CG1 3.28Å; I109-I113 WeakPolarHBondContact O-CG1 3.38Å; I109-I113 PolarHBondContact O-N 2.67Å; L110-I113 PolarHBondContact O-N 3.16Å; I113-S116 PolarHBondContact O-N 3.13Å; I113-R117 HydrophobicContact CG2-CG 4.48Å; I113-R117 VanDerWaalsContact O-CG 3.26Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 3.02Å
114A82.4Confident79.7Confident14 Ų1435.1 Ų35.112%0.11617%0.168CC..Hα-helixtrans-66-45-178.200000111.9L110 S111 W112 S116 R117 Y118 V217 S220L110-A114 WeakPolarHBondContact O-CB 3.38Å; L110-A114 PolarHBondContact O-N 2.73Å; S111-A114 PolarHBondContact O-N 3.28Å; W112-A114 VanDerWaalsContact C-N 3.26Å; W112-A114 PolarHBondContact O-N 3.08Å; A114-S116 PolarHBondContact O-N 3.31Å; A114-R117 PolarHBondContact O-N 2.97Å; A114-Y118 PolarHBondContact O-N 2.68Å; A114-V217 HydrophobicContact CB-CB 4.26Å; A114-V217 HydrophobicContact CB-CG1 4.05Å; A114-V217 HydrophobicContact CB-CG2 4.06Å; A114-S220 WeakPolarHBondContact CB-OG 3.44Å
115V82.3Confident77.8Confident50 Ų5037 Ų3730%0.30318%0.18SC..Hα-helixtrans-60.4-44.7172.81710000111.4S111 W112 R117 Y118 A119 V216S111-V115 VanDerWaalsContact O-CG2 3.31Å; S111-V115 WeakPolarHBondContact O-CG2 3.36Å; S111-V115 PolarHBondContact O-N 3.48Å; W112-V115 PolarHBondContact O-N 2.87Å; V115-R117 VanDerWaalsContact C-N 3.3Å; V115-R117 PolarHBondContact O-N 2.92Å; V115-Y118 PolarHBondContact O-N 3.36Å; V115-A119 WeakPolarHBondContact O-CB 3.4Å; V115-A119 PolarHBondContact O-N 3.22Å; V115-V216 HydrophobicContact CG2-CG1 3.78Å
116S79.3Confident75.7Confident10 Ų1038 Ų387%0.0719%0.186CC..Hα-helixtrans-60.5-39.4177.5178.90000112.2W112 I113 A114 T120W112-S116 WeakPolarHBondContact O-CB 3.23Å; W112-S116 PolarHBondContact O-N 3.14Å; I113-S116 PolarHBondContact O-N 3.13Å; A114-S116 PolarHBondContact O-N 3.31Å; S116-T120 PolarHBondContact O-N 3.37Å; S116-T120 VanDerWaalsContact O-N 3.12Å; S116-T120 PolarHBondContact O-OG1 3.24Å
117R75.9Confident73.7Confident85 Ų8545 Ų4532%0.32122%0.223SC..Hα-helixtrans-69.1-43176.5-70.4-71.2178.9-112.7-3.4111.8T50 I113 A114 V115 T120 L121 F224T50-R117 PolarHBondContact OG1-NH2 3.27Å; I113-R117 HydrophobicContact CG2-CG 4.48Å; I113-R117 VanDerWaalsContact O-CG 3.26Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 3.02Å; A114-R117 PolarHBondContact O-N 2.97Å; V115-R117 VanDerWaalsContact C-N 3.3Å; V115-R117 PolarHBondContact O-N 2.92Å; R117-T120 WeakPolarHBondContact O-CB 3.35Å; R117-T120 PolarHBondContact O-N 2.87Å; R117-L121 PolarHBondContact O-N 3.23Å; R117-F224 HydrophobicContact CB-CD2 4.35Å
118Y73.8Confident71.6Confident76 Ų7651.7 Ų51.730%0.29825%0.254SS..Hα-helixtrans-60.9-48.3175.2177-106.5000112A114 V115 T120 L121 M122 S223A114-Y118 PolarHBondContact O-N 2.68Å; V115-Y118 PolarHBondContact O-N 3.36Å; Y118-T120 PolarHBondContact O-N 2.97Å; Y118-L121 WeakPolarHBondContact O-CB 3.43Å; Y118-L121 PolarHBondContact O-N 3.18Å; Y118-M122 HydrophobicContact CD1-CG 4.47Å; Y118-M122 HydrophobicContact CD1-SD 4.25Å; Y118-M122 HydrophobicContact CE1-CG 3.96Å; Y118-M122 HydrophobicContact CE1-SD 3.33Å; Y118-M122 WeakPolarHBondContact CE1-SD 3.37Å; Y118-M122 HydrophobicContact CE2-CG 4.15Å; Y118-M122 HydrophobicContact CE2-SD 4.31Å; Y118-M122 PolarHBondContact O-N 3.49Å; Y118-M122 VanDerWaalsContact O-N 3.08Å; Y118-M122 PolarHBondContact OH-SD 3.29Å; Y118-S223 VanDerWaalsContact CE2-CB 3.4Å
119A72.3Confident69.5Low4 Ų457.6 Ų57.63%0.03328%0.28CS..Hα-helixtrans-58.9-37.1176.600000112.3V115 L121 M122 Q123 L143 F146V115-A119 WeakPolarHBondContact O-CB 3.4Å; V115-A119 PolarHBondContact O-N 3.22Å; A119-L121 PolarHBondContact O-N 3.11Å; A119-M122 PolarHBondContact O-N 3.47Å; A119-Q123 PolarHBondContact O-N 3.46Å; A119-L143 HydrophobicContact CB-CD1 3.59Å; A119-F146 HydrophobicContact CB-CD2 4.48Å; A119-F146 HydrophobicContact CB-CE2 4.3Å
120T67.6Low67.2Low44 Ų4464.1 Ų64.127%0.2732%0.32SS..Hα-helixtrans-65.6-30177-55.20000112S116 R117 Y118S116-T120 PolarHBondContact O-N 3.37Å; S116-T120 VanDerWaalsContact O-N 3.12Å; S116-T120 PolarHBondContact O-OG1 3.24Å; R117-T120 WeakPolarHBondContact O-CB 3.35Å; R117-T120 PolarHBondContact O-N 2.87Å; Y118-T120 PolarHBondContact O-N 2.97Å
121L64.6Low65.1Low11 Ų1166.4 Ų66.46%0.05834%0.335CS..Hα-helixtrans-76.6-45.9176.1-70.5-174.7000112.8R117 Y118 A119 Q123 K124 D125 F224 H227R117-L121 PolarHBondContact O-N 3.23Å; Y118-L121 WeakPolarHBondContact O-CB 3.43Å; Y118-L121 PolarHBondContact O-N 3.18Å; A119-L121 PolarHBondContact O-N 3.11Å; L121-Q123 PolarHBondContact O-N 2.86Å; L121-K124 WeakPolarHBondContact O-CA 3.43Å; L121-K124 WeakPolarHBondContact O-CB 3.46Å; L121-K124 PolarHBondContact O-N 2.98Å; L121-D125 PolarHBondContact O-N 3.37Å; L121-D125 VanDerWaalsContact O-N 3.11Å; L121-F224 HydrophobicContact CD1-CB 3.54Å; L121-F224 HydrophobicContact CD1-CD2 3.03Å; L121-F224 HydrophobicContact CD1-CE2 3.8Å; L121-F224 HydrophobicContact CD1-CG 3.47Å; L121-F224 VanDerWaalsContact CD1-CG 3.47Å; L121-F224 HydrophobicContact CD2-CD2 3.94Å; L121-F224 HydrophobicContact CD2-CE2 3.81Å; L121-F224 HydrophobicContact CG-CD2 3.5Å; L121-F224 HydrophobicContact CG-CE2 3.86Å; L121-F224 HydrophobicContact CG-CG 4.4Å; L121-H227 HydrophobicContact CD1-CB 4.43Å
122M64.1Low63.1Low46 Ų4669.7 Ų69.723%0.22736%0.358CS..Hα-helixtrans-58.6-31.9178.9-69.4-161.577.800112.2Y118 A119 K124 D125 S126Y118-M122 HydrophobicContact CD1-CG 4.47Å; Y118-M122 HydrophobicContact CD1-SD 4.25Å; Y118-M122 HydrophobicContact CE1-CG 3.96Å; Y118-M122 HydrophobicContact CE1-SD 3.33Å; Y118-M122 WeakPolarHBondContact CE1-SD 3.37Å; Y118-M122 HydrophobicContact CE2-CG 4.15Å; Y118-M122 HydrophobicContact CE2-SD 4.31Å; Y118-M122 PolarHBondContact O-N 3.49Å; Y118-M122 VanDerWaalsContact O-N 3.08Å; Y118-M122 PolarHBondContact OH-SD 3.29Å; A119-M122 PolarHBondContact O-N 3.47Å; M122-K124 VanDerWaalsContact C-N 3.31Å; M122-K124 PolarHBondContact O-N 2.88Å; M122-D125 PolarHBondContact O-N 3.14Å; M122-S126 WeakPolarHBondContact O-CB 3.48Å; M122-S126 PolarHBondContact O-N 3.12Å; M122-S126 PolarHBondContact O-OG 3.17Å
123Q61.2Low61.3Low83 Ų8371.1 Ų71.139%0.38838%0.376SS..Hα-helixtrans-64.9-33.8173-165.7-173.74200113A119 L121 S126 L143A119-Q123 PolarHBondContact O-N 3.46Å; L121-Q123 PolarHBondContact O-N 2.86Å; Q123-S126 WeakPolarHBondContact CA-OG 3.11Å; Q123-S126 PolarHBondContact O-OG 2.81Å; Q123-L143 HydrophobicContact CB-CD2 4.22Å; Q123-L143 HydrophobicContact CG-CD2 4.45Å
124K54.8Low59.6Low128 Ų12878.9 Ų78.956%0.55741%0.405SS*.Hα-helixtrans-75.6-36.9178.7-71-178.4175.5-179.50111.9L121 M122 L127L121-K124 WeakPolarHBondContact O-CA 3.43Å; L121-K124 WeakPolarHBondContact O-CB 3.46Å; L121-K124 PolarHBondContact O-N 2.98Å; M122-K124 VanDerWaalsContact C-N 3.31Å; M122-K124 PolarHBondContact O-N 2.88Å; K124-L127 PolarHBondContact O-N 3.45Å
125D52.1Low57.9Low65 Ų6581.6 Ų81.635%0.34842%0.416SS..Hα-helixtrans-62.6-46.7172.8-91.5-42.4000112.6L121 M122 L127 Q128 E129 H227L121-D125 PolarHBondContact O-N 3.37Å; L121-D125 VanDerWaalsContact O-N 3.11Å; M122-D125 PolarHBondContact O-N 3.14Å; D125-L127 PolarHBondContact O-N 2.88Å; D125-L127 VanDerWaalsContact O-N 3.14Å; D125-Q128 PolarHBondContact O-N 3.04Å; D125-E129 PolarHBondContact O-N 2.76Å; D125-H227 IonicContact OD1-CD2 3.65Å; D125-H227 PolarHBondContact OD1-CD2 2.8Å; D125-H227 IonicContact OD1-CE1 3.92Å; D125-H227 IonicContact OD1-NE2 2.77Å; D125-H227 PolarHBondContact OD1-NE2 3.5Å; D125-H227 IonicContact OD2-CD2 2.8Å; D125-H227 PolarHBondContact OD2-CD2 2.9Å; D125-H227 IonicContact OD2-CE1 3.81Å; D125-H227 IonicContact OD2-CG 3.06Å; D125-H227 IonicContact OD2-ND1 3.11Å; D125-H227 IonicContact OD2-NE2 3.69Å; D125-H227 PolarHBondContact OD2-NE2 3.29Å
126S49.2Very low56.5Low20 Ų2084.5 Ų84.514%0.1442%0.424CS..THydrogen-bonded Turntrans-70.1-8.1-178.353.10000114.2M122 Q123 Q128 K136M122-S126 WeakPolarHBondContact O-CB 3.48Å; M122-S126 PolarHBondContact O-N 3.12Å; M122-S126 PolarHBondContact O-OG 3.17Å; Q123-S126 WeakPolarHBondContact CA-OG 3.11Å; Q123-S126 PolarHBondContact O-OG 2.81Å; S126-Q128 VanDerWaalsContact C-N 3.3Å; S126-K136 WeakPolarHBondContact O-CE 3.39Å; S126-K136 PolarHBondContact O-NZ 3.25Å
127L49Very low55.4Low153 Ų15389.5 Ų89.580%0.80145%0.449SS*.THydrogen-bonded Turntrans-80.6-12.5167.9-120.6176.3000112.4K124 D125K124-L127 PolarHBondContact O-N 3.45Å; D125-L127 PolarHBondContact O-N 2.88Å; D125-L127 VanDerWaalsContact O-N 3.14Å
128Q44.8Very low54.5Low144 Ų14491.1 Ų91.167%0.67346%0.458SS*.THydrogen-bonded Turntrans-115.5-23.1-170.7-157151.3-5.100115.2D125 S126D125-Q128 PolarHBondContact O-N 3.04Å; S126-Q128 VanDerWaalsContact C-N 3.3Å
129E47.5Very low53.7Low163 Ų16390.8 Ų90.876%0.76246%0.457SS*.SBendtrans-173.5135.9162.2-108.9153.2-161.300113.3D125D125-E129 PolarHBondContact O-N 2.76Å
130T42.8Very low53.2Low137 Ų13791.7 Ų91.784%0.8447%0.467SS*.  trans49.673.8151.8-33.80000118.4
131T43.9Very low53Low60 Ų6096.1 Ų96.137%0.36848%0.484SS..  trans-136.7144.8162.5-6.20000111.8E135T131-E135 VanDerWaalsContact CG2-OE2 3.31Å; T131-E135 WeakPolarHBondContact CG2-OE2 3.31Å
132S44.7Very low52.9Low82 Ų8297.8 Ų97.857%0.57349%0.493SS*.  trans-55.2141.1-169.9-169.90000113.4Y134 E135 K136S132-Y134 PolarHBondContact O-N 2.97Å; S132-Y134 VanDerWaalsContact O-N 3.15Å; S132-E135 WeakPolarHBondContact O-CB 3.42Å; S132-E135 PolarHBondContact O-N 3.49Å; S132-K136 PolarHBondContact O-N 3.38Å
133C50.1Low52.9Low92 Ų9296.6 Ų96.662%0.62249%0.487SS*.Hα-helixtrans-55.8-34.2-174.4-170.20000113.3E135 K136 I137C133-E135 VanDerWaalsContact C-N 3.33Å; C133-E135 PolarHBondContact O-N 3.44Å; C133-K136 PolarHBondContact O-N 2.93Å; C133-I137 WeakPolarHBondContact O-CG1 3.39Å; C133-I137 PolarHBondContact O-N 2.85Å
134Y48.6Very low53.3Low190 Ų190100.2 Ų100.275%0.74550%0.502SS*.Hα-helixtrans-64.3-37.2177.8-158.1-94.1000112.5S132 I137 F138S132-Y134 PolarHBondContact O-N 2.97Å; S132-Y134 VanDerWaalsContact O-N 3.15Å; Y134-I137 PolarHBondContact O-N 3.24Å; Y134-F138 WeakPolarHBondContact O-CB 3.32Å; Y134-F138 PolarHBondContact O-N 3.43Å; Y134-F138 VanDerWaalsContact O-N 3.09Å
135E47.8Very low54.1Low71 Ų7198.6 Ų98.633%0.33250%0.495SS..Hα-helixtrans-71.9-40.3-178.5-151.5167.3-17600110.7T131 S132 C133 I137 Y139T131-E135 VanDerWaalsContact CG2-OE2 3.31Å; T131-E135 WeakPolarHBondContact CG2-OE2 3.31Å; S132-E135 WeakPolarHBondContact O-CB 3.42Å; S132-E135 PolarHBondContact O-N 3.49Å; C133-E135 VanDerWaalsContact C-N 3.33Å; C133-E135 PolarHBondContact O-N 3.44Å; E135-I137 PolarHBondContact O-N 3.21Å; E135-Y139 HydrophobicContact CB-CD2 4.48Å; E135-Y139 HydrophobicContact CG-CD2 3.56Å; E135-Y139 HydrophobicContact CG-CE2 3.36Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 WeakPolarHBondContact O-CD2 3.41Å; E135-Y139 PolarHBondContact O-N 2.84Å
136K51.8Low54.9Low110 Ų11096.1 Ų96.148%0.47848%0.481SS..Hα-helixtrans-60.1-43.1173-97.8178.5176.1170.80113.4S126 S132 C133 G140S126-K136 WeakPolarHBondContact O-CE 3.39Å; S126-K136 PolarHBondContact O-NZ 3.25Å; S132-K136 PolarHBondContact O-N 3.38Å; C133-K136 PolarHBondContact O-N 2.93Å; K136-G140 WeakPolarHBondContact O-CA 3.39Å; K136-G140 PolarHBondContact O-N 3.46Å
137I56.4Low56Low116 Ų116105.1 Ų105.160%0.59551%0.512SS*.Hα-helixtrans-71.4-47.3-177.8-66.7168.8000110.6C133 Y134 E135 H141C133-I137 WeakPolarHBondContact O-CG1 3.39Å; C133-I137 PolarHBondContact O-N 2.85Å; Y134-I137 PolarHBondContact O-N 3.24Å; E135-I137 PolarHBondContact O-N 3.21Å; I137-H141 WeakPolarHBondContact O-CB 3.26Å; I137-H141 PolarHBondContact O-N 2.92Å; I137-H141 VanDerWaalsContact O-N 3.07Å
138F57.7Low57.7Low118 Ų118102.2 Ų102.252%0.51849%0.494SS..Hα-helixtrans-63.1-50.9-179.6-176.1-105000111.9Y134 L142Y134-F138 WeakPolarHBondContact O-CB 3.32Å; Y134-F138 PolarHBondContact O-N 3.43Å; Y134-F138 VanDerWaalsContact O-N 3.09Å; F138-L142 HydrophobicContact CD1-CD1 3.76Å; F138-L142 HydrophobicContact CD2-CD1 4.13Å; F138-L142 HydrophobicContact CE1-CD1 3.31Å; F138-L142 HydrophobicContact CE2-CD1 3.73Å; F138-L142 HydrophobicContact CG-CD1 4.16Å; F138-L142 HydrophobicContact CZ-CD1 3.3Å; F138-L142 WeakPolarHBondContact O-CB 3.4Å; F138-L142 PolarHBondContact O-N 3.08Å; F138-L142 VanDerWaalsContact O-N 3.08Å
139Y57.3Low59.7Low70 Ų7097.8 Ų97.828%0.27548%0.478SS..Hα-helixtrans-69.7-38.8179.2-74.3-68.2000112.4E135 H141 L142 L143E135-Y139 HydrophobicContact CB-CD2 4.48Å; E135-Y139 HydrophobicContact CG-CD2 3.56Å; E135-Y139 HydrophobicContact CG-CE2 3.36Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 WeakPolarHBondContact O-CD2 3.41Å; E135-Y139 PolarHBondContact O-N 2.84Å; Y139-H141 PolarHBondContact O-N 2.95Å; Y139-L142 PolarHBondContact O-N 3.46Å; Y139-L143 WeakPolarHBondContact O-CB 3.42Å; Y139-L143 PolarHBondContact O-N 3.07Å
140G60.5Low61.7Low23 Ų2395 Ų9524%0.23747%0.468CS..Hα-helixtrans-61.5-42.7178.100000113.1K136 K144K136-G140 WeakPolarHBondContact O-CA 3.39Å; K136-G140 PolarHBondContact O-N 3.46Å; G140-K144 PolarHBondContact O-N 3.49Å
141H63.8Low63.9Low137 Ų13790.3 Ų90.363%0.63444%0.436SS*.Hα-helixtrans-70.2-45.6177.4-174.4-105.3000112.1I137 Y139 L143 K144 K145I137-H141 WeakPolarHBondContact O-CB 3.26Å; I137-H141 PolarHBondContact O-N 2.92Å; I137-H141 VanDerWaalsContact O-N 3.07Å; Y139-H141 PolarHBondContact O-N 2.95Å; H141-L143 VanDerWaalsContact C-N 3.33Å; H141-L143 PolarHBondContact O-N 3.33Å; H141-K144 PolarHBondContact O-N 3.39Å; H141-K145 PolarHBondContact O-N 3.29Å
142L63.1Low66.1Low46 Ų4687.5 Ų87.524%0.24142%0.419CS..Hα-helixtrans-60.7-40.7175.4-90.1161.1000112.2F138 Y139 K145 F146F138-L142 HydrophobicContact CD1-CD1 3.76Å; F138-L142 HydrophobicContact CD2-CD1 4.13Å; F138-L142 HydrophobicContact CE1-CD1 3.31Å; F138-L142 HydrophobicContact CE2-CD1 3.73Å; F138-L142 HydrophobicContact CG-CD1 4.16Å; F138-L142 HydrophobicContact CZ-CD1 3.3Å; F138-L142 WeakPolarHBondContact O-CB 3.4Å; F138-L142 PolarHBondContact O-N 3.08Å; F138-L142 VanDerWaalsContact O-N 3.08Å; Y139-L142 PolarHBondContact O-N 3.46Å; L142-K145 CarbonylContact O-C 3.59Å; L142-K145 WeakPolarHBondContact O-CA 3.4Å; L142-K145 WeakPolarHBondContact O-CB 3.18Å; L142-K145 PolarHBondContact O-N 3.32Å; L142-F146 HydrophobicContact CB-CE2 4.01Å; L142-F146 HydrophobicContact CB-CZ 4.06Å; L142-F146 HydrophobicContact CD2-CE1 3.75Å; L142-F146 HydrophobicContact CD2-CE2 4.4Å; L142-F146 HydrophobicContact CD2-CZ 3.6Å; L142-F146 HydrophobicContact CG-CZ 4.35Å; L142-F146 WeakPolarHBondContact O-CD1 3.46Å; L142-F146 WeakPolarHBondContact O-CD2 3.29Å; L142-F146 WeakPolarHBondContact O-CG 3.27Å; L142-F146 PolarHBondContact O-N 3.04Å
143L64.3Low68.3Low20 Ų2089.9 Ų89.911%0.10542%0.415CS..Hα-helixtrans-67.9-41.2-178.4-154.488.3000112.6A119 Q123 Y139 H141 K145 F146 R147A119-L143 HydrophobicContact CB-CD1 3.59Å; Q123-L143 HydrophobicContact CB-CD2 4.22Å; Q123-L143 HydrophobicContact CG-CD2 4.45Å; Y139-L143 WeakPolarHBondContact O-CB 3.42Å; Y139-L143 PolarHBondContact O-N 3.07Å; H141-L143 VanDerWaalsContact C-N 3.33Å; H141-L143 PolarHBondContact O-N 3.33Å; L143-K145 PolarHBondContact O-N 3.35Å; L143-F146 HydrophobicContact CD1-CD2 4.39Å; L143-F146 PolarHBondContact O-N 3.29Å; L143-R147 PolarHBondContact O-N 3.43Å; L143-R147 VanDerWaalsContact O-N 3.09Å
144K68.3Low70.4Confident160 Ų16093 Ų9370%0.69642%0.418SS*.Hα-helixtrans-59.6-36.4174.6-164176.1-176.1-179.60110.2G140 H141 Q148G140-K144 PolarHBondContact O-N 3.49Å; H141-K144 PolarHBondContact O-N 3.39Å; K144-Q148 WeakPolarHBondContact O-CG 3.32Å
145K72.8Confident72.6Confident94 Ų9485.1 Ų85.141%0.40939%0.389SS..Hα-helixtrans-72-41.1175.1-152.8176.4-176.4177.20112.5H141 L142 L143 R147 Q148 F151H141-K145 PolarHBondContact O-N 3.29Å; L142-K145 CarbonylContact O-C 3.59Å; L142-K145 WeakPolarHBondContact O-CA 3.4Å; L142-K145 WeakPolarHBondContact O-CB 3.18Å; L142-K145 PolarHBondContact O-N 3.32Å; L143-K145 PolarHBondContact O-N 3.35Å; K145-R147 VanDerWaalsContact C-N 3.26Å; K145-R147 PolarHBondContact O-N 3.41Å; K145-Q148 WeakPolarHBondContact O-CB 3.18Å; K145-Q148 PolarHBondContact O-N 3.27Å; K145-F151 HydrophobicContact CD-CD2 3.88Å; K145-F151 HydrophobicContact CD-CE2 4.01Å; K145-F151 HydrophobicContact CD-CG 4.5Å; K145-F151 HydrophobicContact CG-CB 4.16Å; K145-F151 HydrophobicContact CG-CD1 4.45Å; K145-F151 HydrophobicContact CG-CD2 3.68Å; K145-F151 HydrophobicContact CG-CE2 4.2Å; K145-F151 HydrophobicContact CG-CG 3.81Å; K145-F151 WeakPolarHBondContact O-CB 3.37Å; K145-F151 WeakPolarHBondContact O-CD1 3.4Å
146F69.2Low74.8Confident13 Ų1381.8 Ų81.86%0.05737%0.373CS..Hα-helixtrans-64.2-27.2178-65-24.9000114S49 W112 A119 L142 L143 Q148 F151S49-F146 VanDerWaalsContact CB-O 3.28Å; S49-F146 WeakPolarHBondContact CB-O 3.26Å; S49-F146 PolarHBondContact OG-O 3.5Å; W112-F146 AromaticContact CH2-CE1 3.69Å; W112-F146 HydrophobicContact CH2-CE1 3.69Å; W112-F146 HydrophobicContact CH2-CZ 4.19Å; W112-F146 AromaticContact CZ2-CD1 3.63Å; W112-F146 HydrophobicContact CZ2-CD1 3.63Å; W112-F146 AromaticContact CZ2-CE1 3.18Å; W112-F146 HydrophobicContact CZ2-CE1 3.18Å; W112-F146 AromaticContact CZ2-CZ 3.95Å; W112-F146 HydrophobicContact CZ2-CZ 3.95Å; A119-F146 HydrophobicContact CB-CD2 4.48Å; A119-F146 HydrophobicContact CB-CE2 4.3Å; L142-F146 HydrophobicContact CB-CE2 4.01Å; L142-F146 HydrophobicContact CB-CZ 4.06Å; L142-F146 HydrophobicContact CD2-CE1 3.75Å; L142-F146 HydrophobicContact CD2-CE2 4.4Å; L142-F146 HydrophobicContact CD2-CZ 3.6Å; L142-F146 HydrophobicContact CG-CZ 4.35Å; L142-F146 WeakPolarHBondContact O-CD1 3.46Å; L142-F146 WeakPolarHBondContact O-CD2 3.29Å; L142-F146 WeakPolarHBondContact O-CG 3.27Å; L142-F146 PolarHBondContact O-N 3.04Å; L143-F146 HydrophobicContact CD1-CD2 4.39Å; L143-F146 PolarHBondContact O-N 3.29Å; F146-Q148 VanDerWaalsContact C-N 3.31Å; F146-F151 HydrophobicContact CD1-CD1 4.3Å; F146-F151 AromaticContact CD1-CE1 3.65Å; F146-F151 HydrophobicContact CD1-CE1 3.65Å; F146-F151 HydrophobicContact CD1-CZ 4.26Å; F146-F151 HydrophobicContact CE1-CE1 4.08Å; F146-F151 HydrophobicContact CE1-CZ 4.27Å
147R71.9Confident76.9Confident208 Ų20881.4 Ų81.479%0.78538%0.375SS*.THydrogen-bonded Turntrans-80.7-13.6175.8-160169.3173.7-178.7-3.9112.9L143 K145L143-R147 PolarHBondContact O-N 3.43Å; L143-R147 VanDerWaalsContact O-N 3.09Å; K145-R147 VanDerWaalsContact C-N 3.26Å; K145-R147 PolarHBondContact O-N 3.41Å
148Q84.9Confident78.8Confident92 Ų9283.4 Ų83.443%0.4338%0.377SS..  trans-78.9128.9-178.2-72.6173.716.200111.6K144 K145 F146 N150 F151 A152K144-Q148 WeakPolarHBondContact O-CG 3.32Å; K145-Q148 WeakPolarHBondContact O-CB 3.18Å; K145-Q148 PolarHBondContact O-N 3.27Å; F146-Q148 VanDerWaalsContact C-N 3.31Å; Q148-N150 VanDerWaalsContact C-N 3.3Å; Q148-N150 PolarHBondContact O-N 3.25Å; Q148-F151 HydrophobicContact CB-CB 4.21Å; Q148-F151 PolarHBondContact O-N 2.93Å; Q148-A152 PolarHBondContact O-N 3.27Å
149P86.6Confident80.6Confident51 Ų5178.4 Ų78.433%0.33136%0.355SS..Hα-helixtrans-64.7-34.8179.724.8-33000112.5I52 F151 A152 R153I52-P149 HydrophobicContact CD1-CB 3.44Å; I52-P149 VanDerWaalsContact CD1-CB 3.44Å; I52-P149 WeakPolarHBondContact CD1-O 3.42Å; P149-F151 PolarHBondContact O-N 2.88Å; P149-A152 PolarHBondContact O-N 2.87Å; P149-R153 PolarHBondContact O-N 3.05Å
150N88.8Confident82.5Confident104 Ų10477 Ų7756%0.55635%0.349SS*.Hα-helixtrans-65-39.8179-68.5-14.3000112.1Q148 R153 K154Q148-N150 VanDerWaalsContact C-N 3.3Å; Q148-N150 PolarHBondContact O-N 3.25Å; N150-R153 PolarHBondContact O-N 3.13Å; N150-K154 WeakPolarHBondContact O-CG 3.22Å; N150-K154 PolarHBondContact O-N 2.94Å; N150-K154 VanDerWaalsContact O-N 3.1Å
151F89.4Confident84.3Confident40 Ų4078 Ų7818%0.17536%0.36CS..Hα-helixtrans-66.1-45.4175.5174.8-95.9000111.1W112 K145 F146 Q148 P149 R153 K154 L155W112-F151 HydrophobicContact CH2-CZ 4.36Å; W112-F151 AromaticContact CZ2-CE1 3.67Å; W112-F151 HydrophobicContact CZ2-CE1 3.67Å; W112-F151 AromaticContact CZ2-CZ 3.87Å; W112-F151 HydrophobicContact CZ2-CZ 3.87Å; K145-F151 HydrophobicContact CD-CD2 3.88Å; K145-F151 HydrophobicContact CD-CE2 4.01Å; K145-F151 HydrophobicContact CD-CG 4.5Å; K145-F151 HydrophobicContact CG-CB 4.16Å; K145-F151 HydrophobicContact CG-CD1 4.45Å; K145-F151 HydrophobicContact CG-CD2 3.68Å; K145-F151 HydrophobicContact CG-CE2 4.2Å; K145-F151 HydrophobicContact CG-CG 3.81Å; K145-F151 WeakPolarHBondContact O-CB 3.37Å; K145-F151 WeakPolarHBondContact O-CD1 3.4Å; F146-F151 HydrophobicContact CD1-CD1 4.3Å; F146-F151 AromaticContact CD1-CE1 3.65Å; F146-F151 HydrophobicContact CD1-CE1 3.65Å; F146-F151 HydrophobicContact CD1-CZ 4.26Å; F146-F151 HydrophobicContact CE1-CE1 4.08Å; F146-F151 HydrophobicContact CE1-CZ 4.27Å; Q148-F151 HydrophobicContact CB-CB 4.21Å; Q148-F151 PolarHBondContact O-N 2.93Å; P149-F151 PolarHBondContact O-N 2.88Å; F151-R153 VanDerWaalsContact C-N 3.3Å; F151-R153 PolarHBondContact O-N 3.36Å; F151-K154 PolarHBondContact O-N 3.14Å; F151-L155 HydrophobicContact CE1-CD2 4.22Å; F151-L155 WeakPolarHBondContact O-CB 3.13Å; F151-L155 PolarHBondContact O-N 3.43Å
152A90.4Very high85.8Confident0 Ų074.2 Ų74.20%035%0.346CS..Hα-helixtrans-57.1-43176.600000112.4I52 Y53 Q148 P149 L155 C156I52-A152 HydrophobicContact CB-CB 4.15Å; I52-A152 HydrophobicContact CD1-CB 4.41Å; I52-A152 HydrophobicContact CG2-CB 4.05Å; Y53-A152 HydrophobicContact CD1-CB 4.36Å; Y53-A152 HydrophobicContact CE1-CB 3.71Å; Y53-A152 HydrophobicContact CE2-CB 3.92Å; Y53-A152 VanDerWaalsContact CZ-CB 3.44Å; Y53-A152 WeakPolarHBondContact OH-CA 3.46Å; Q148-A152 PolarHBondContact O-N 3.27Å; P149-A152 PolarHBondContact O-N 2.87Å; A152-L155 PolarHBondContact O-N 2.9Å; A152-C156 PolarHBondContact O-N 3.31Å; A152-C156 PolarHBondContact O-SG 2.68Å
153R91.8Very high87.4Confident133 Ų13372.4 Ų72.450%0.50234%0.337SS..Hα-helixtrans-62.2-50.4176.6-174.4-178.2-60.7169.42.6111.9I52 P149 N150 F151 L155 C156 I157I52-R153 HydrophobicContact CG2-CB 4.39Å; P149-R153 PolarHBondContact O-N 3.05Å; N150-R153 PolarHBondContact O-N 3.13Å; F151-R153 VanDerWaalsContact C-N 3.3Å; F151-R153 PolarHBondContact O-N 3.36Å; R153-L155 VanDerWaalsContact C-N 3.3Å; R153-L155 PolarHBondContact O-N 3.39Å; R153-C156 PolarHBondContact O-N 3.29Å; R153-I157 HydrophobicContact CG-CD1 3.91Å; R153-I157 WeakPolarHBondContact O-CG1 3.29Å; R153-I157 PolarHBondContact O-N 2.85Å
154K94.1Very high88.9Confident156 Ų15674.3 Ų74.368%0.67835%0.347SS*.Hα-helixtrans-59.1-43.5179.1-73.4-177.7180-171.80111.4N150 F151 I157 Y158N150-K154 WeakPolarHBondContact O-CG 3.22Å; N150-K154 PolarHBondContact O-N 2.94Å; N150-K154 VanDerWaalsContact O-N 3.1Å; F151-K154 PolarHBondContact O-N 3.14Å; K154-I157 PolarHBondContact O-N 2.89Å; K154-Y158 WeakPolarHBondContact O-CB 3.23Å; K154-Y158 PolarHBondContact O-N 2.9Å
155L93Very high90.2Very high26 Ų2669.1 Ų69.114%0.13634%0.339CS..Hα-helixtrans-64.2-44.4177.9-178.469.8000112.2Y53 W112 F151 A152 R153 I157 Y158 I159Y53-L155 HydrophobicContact CE1-CD2 4.1Å; W112-L155 HydrophobicContact CD2-CD2 3.31Å; W112-L155 HydrophobicContact CE3-CD2 3.88Å; W112-L155 HydrophobicContact CG-CD2 3.67Å; W112-L155 HydrophobicContact CH2-CD2 3.94Å; W112-L155 HydrophobicContact CZ2-CD2 3.39Å; W112-L155 HydrophobicContact CZ3-CD2 4.17Å; W112-L155 VanDerWaalsContact NE1-CD2 3.29Å; F151-L155 HydrophobicContact CE1-CD2 4.22Å; F151-L155 WeakPolarHBondContact O-CB 3.13Å; F151-L155 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 2.9Å; R153-L155 VanDerWaalsContact C-N 3.3Å; R153-L155 PolarHBondContact O-N 3.39Å; L155-I157 PolarHBondContact O-N 3.25Å; L155-Y158 HydrophobicContact CD1-CD1 4.46Å; L155-Y158 WeakPolarHBondContact O-CB 3.16Å; L155-Y158 PolarHBondContact O-N 3.48Å; L155-I159 HydrophobicContact CD1-CD1 4.4Å; L155-I159 HydrophobicContact CD1-CG1 4.5Å; L155-I159 HydrophobicContact CD2-CD1 4.44Å; L155-I159 HydrophobicContact CG-CD1 3.96Å; L155-I159 HydrophobicContact CG-CG1 4.45Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 3.45Å
156C95.1Very high91.1Very high0 Ų069.4 Ų69.40%034%0.344CS..Hα-helixtrans-61.7-46177.8-66.50000111Y53 H56 A152 R153 Y158 I159 W160Y53-C156 VanDerWaalsContact CD1-SG 3.51Å; H56-C156 HydrophobicContact CB-CB 4.15Å; H56-C156 WeakPolarHBondContact CD2-CB 3.15Å; A152-C156 PolarHBondContact O-N 3.31Å; A152-C156 PolarHBondContact O-SG 2.68Å; R153-C156 PolarHBondContact O-N 3.29Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 2.98Å; C156-I159 PolarHBondContact O-N 3.3Å; C156-W160 PolarHBondContact O-N 3.33Å
157I96Very high92.3Very high102 Ų10269.7 Ų69.752%0.52335%0.346SS..Hα-helixtrans-58.7-42.5176.2-66.9168000110.7R153 K154 L155 W160 G161R153-I157 HydrophobicContact CG-CD1 3.91Å; R153-I157 WeakPolarHBondContact O-CG1 3.29Å; R153-I157 PolarHBondContact O-N 2.85Å; K154-I157 PolarHBondContact O-N 2.89Å; L155-I157 PolarHBondContact O-N 3.25Å; I157-W160 PolarHBondContact O-N 3.38Å; I157-G161 PolarHBondContact O-N 3.04Å
158Y96.3Very high93.3Very high158 Ų15862.7 Ų62.762%0.6232%0.323SS*.Hα-helixtrans-61.3-47.5175.5174.2-99.5000112.3K154 L155 C156 W160 G161 V162K154-Y158 WeakPolarHBondContact O-CB 3.23Å; K154-Y158 PolarHBondContact O-N 2.9Å; L155-Y158 HydrophobicContact CD1-CD1 4.46Å; L155-Y158 WeakPolarHBondContact O-CB 3.16Å; L155-Y158 PolarHBondContact O-N 3.48Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 2.98Å; Y158-W160 VanDerWaalsContact C-N 3.32Å; Y158-W160 PolarHBondContact O-N 3.38Å; Y158-G161 PolarHBondContact O-N 3.48Å; Y158-V162 HydrophobicContact CD1-CG2 4.32Å; Y158-V162 HydrophobicContact CD2-CG2 4.14Å; Y158-V162 HydrophobicContact CE1-CG2 3.88Å; Y158-V162 HydrophobicContact CE2-CG2 3.67Å; Y158-V162 HydrophobicContact CG-CG2 4.45Å; Y158-V162 WeakPolarHBondContact O-CG2 3.4Å; Y158-V162 PolarHBondContact O-N 3.1Å
159I95.5Very high93.6Very high14 Ų1461.7 Ų61.77%0.07233%0.325CS..Hα-helixtrans-56.8-47.1176.2-71.9166.9000110.4V105 L108 L155 C156 V162 V163V105-I159 HydrophobicContact CG2-CG2 4.49Å; L108-I159 HydrophobicContact CB-CD1 4.41Å; L108-I159 HydrophobicContact CB-CG2 3.91Å; L108-I159 HydrophobicContact CD1-CG2 3.8Å; L155-I159 HydrophobicContact CD1-CD1 4.4Å; L155-I159 HydrophobicContact CD1-CG1 4.5Å; L155-I159 HydrophobicContact CD2-CD1 4.44Å; L155-I159 HydrophobicContact CG-CD1 3.96Å; L155-I159 HydrophobicContact CG-CG1 4.45Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 3.45Å; C156-I159 PolarHBondContact O-N 3.3Å; I159-V162 PolarHBondContact O-N 3.12Å; I159-V163 HydrophobicContact CG2-CG2 4.38Å; I159-V163 WeakPolarHBondContact O-CB 3.42Å; I159-V163 VanDerWaalsContact O-CG2 3.28Å; I159-V163 WeakPolarHBondContact O-CG2 3.37Å; I159-V163 PolarHBondContact O-N 2.97Å
160W97.4Very high93.8Very high40 Ų4062 Ų6215%0.15233%0.325CS..Hα-helixtrans-58.7-48.7176.4-86.697.9000111.9H56 T59 A60 L63 V101 V105 C156 I157 Y158 V162 V163 L164H56-W160 AromaticContact ND1-CD1 3.62Å; H56-W160 AromaticContact ND1-NE1 3.38Å; H56-W160 PolarHBondContact ND1-NE1 3.01Å; T59-W160 HydrophobicContact CG2-CZ2 4.11Å; A60-W160 HydrophobicContact CB-CH2 4.4Å; A60-W160 HydrophobicContact CB-CZ2 4.05Å; L63-W160 HydrophobicContact CD2-CH2 3.87Å; L63-W160 HydrophobicContact CD2-CZ3 3.95Å; V101-W160 HydrophobicContact CG1-CE3 4.21Å; V101-W160 HydrophobicContact CG1-CH2 4.42Å; V101-W160 HydrophobicContact CG1-CZ3 3.63Å; V105-W160 HydrophobicContact CG1-CD2 4.25Å; V105-W160 HydrophobicContact CG1-CZ2 3.83Å; V105-W160 HydrophobicContact CG2-CD2 4.03Å; V105-W160 HydrophobicContact CG2-CE3 4.04Å; V105-W160 HydrophobicContact CG2-CH2 4.48Å; V105-W160 HydrophobicContact CG2-CZ2 4.46Å; V105-W160 HydrophobicContact CG2-CZ3 4.27Å; C156-W160 PolarHBondContact O-N 3.33Å; I157-W160 PolarHBondContact O-N 3.38Å; Y158-W160 VanDerWaalsContact C-N 3.32Å; Y158-W160 PolarHBondContact O-N 3.38Å; W160-V162 PolarHBondContact O-N 3.35Å; W160-V163 PolarHBondContact O-N 3.18Å; W160-L164 HydrophobicContact CE3-CD1 4.06Å; W160-L164 HydrophobicContact CE3-CG 4.3Å; W160-L164 VanDerWaalsContact O-CB 3.28Å; W160-L164 WeakPolarHBondContact O-CB 3.28Å; W160-L164 VanDerWaalsContact O-CG 3.22Å; W160-L164 WeakPolarHBondContact O-CG 3.31Å; W160-L164 PolarHBondContact O-N 2.9Å
161G97.4Very high93.8Very high44 Ų4457.3 Ų57.345%0.45430%0.301SS..Hα-helixtrans-60.5-45.3179.500000112.9I157 Y158 G165I157-G161 PolarHBondContact O-N 3.04Å; Y158-G161 PolarHBondContact O-N 3.48Å; G161-G165 PolarHBondContact O-N 2.88Å
162V95.6Very high93.8Very high58 Ų5859.1 Ų59.135%0.35231%0.311SS..Hα-helixtrans-64.4-48178.1172.10000111.2Y158 I159 W160 G165 I166Y158-V162 HydrophobicContact CD1-CG2 4.32Å; Y158-V162 HydrophobicContact CD2-CG2 4.14Å; Y158-V162 HydrophobicContact CE1-CG2 3.88Å; Y158-V162 HydrophobicContact CE2-CG2 3.67Å; Y158-V162 HydrophobicContact CG-CG2 4.45Å; Y158-V162 WeakPolarHBondContact O-CG2 3.4Å; Y158-V162 PolarHBondContact O-N 3.1Å; I159-V162 PolarHBondContact O-N 3.12Å; W160-V162 PolarHBondContact O-N 3.35Å; V162-G165 PolarHBondContact O-N 3.45Å; V162-I166 HydrophobicContact CG1-CD1 3.87Å; V162-I166 WeakPolarHBondContact O-CG1 3.14Å; V162-I166 PolarHBondContact O-N 3.24Å; V162-I166 VanDerWaalsContact O-N 3.1Å
163V95.9Very high93.7Very high8 Ų863 Ų635%0.04833%0.326CS..Hα-helixtrans-64.1-47-179.3173.80000110.7V101 F104 V105 L108 I159 W160 G165 I166 I167V101-V163 HydrophobicContact CB-CG1 4.46Å; V101-V163 HydrophobicContact CG1-CG1 4.29Å; V101-V163 HydrophobicContact CG2-CG1 4.48Å; F104-V163 HydrophobicContact CB-CG1 3.75Å; F104-V163 HydrophobicContact CB-CG2 4.03Å; V105-V163 HydrophobicContact CG2-CB 4Å; V105-V163 HydrophobicContact CG2-CG1 3.98Å; V105-V163 HydrophobicContact CG2-CG2 4.08Å; L108-V163 HydrophobicContact CD1-CG2 3.71Å; I159-V163 HydrophobicContact CG2-CG2 4.38Å; I159-V163 WeakPolarHBondContact O-CB 3.42Å; I159-V163 VanDerWaalsContact O-CG2 3.28Å; I159-V163 WeakPolarHBondContact O-CG2 3.37Å; I159-V163 PolarHBondContact O-N 2.97Å; W160-V163 PolarHBondContact O-N 3.18Å; V163-G165 VanDerWaalsContact C-N 3.33Å; V163-G165 PolarHBondContact O-N 3.22Å; V163-I166 PolarHBondContact O-N 3.09Å; V163-I167 HydrophobicContact CG1-CG1 3.89Å; V163-I167 WeakPolarHBondContact O-CB 3.33Å; V163-I167 VanDerWaalsContact O-CG1 3.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.32Å; V163-I167 PolarHBondContact O-N 3.09Å
164L96.3Very high93.4Very high60 Ų6058.1 Ų58.131%0.31431%0.308SS..Hα-helixtrans-61.6-43.1177.4-71.2169.6000111.5V101 W160 I166 I167 I168V101-L164 HydrophobicContact CG1-CD2 3.82Å; V101-L164 HydrophobicContact CG1-CG 4.47Å; V101-L164 HydrophobicContact CG2-CD2 3.88Å; W160-L164 HydrophobicContact CE3-CD1 4.06Å; W160-L164 HydrophobicContact CE3-CG 4.3Å; W160-L164 VanDerWaalsContact O-CB 3.28Å; W160-L164 WeakPolarHBondContact O-CB 3.28Å; W160-L164 VanDerWaalsContact O-CG 3.22Å; W160-L164 WeakPolarHBondContact O-CG 3.31Å; W160-L164 PolarHBondContact O-N 2.9Å; L164-I166 PolarHBondContact O-N 3.43Å; L164-I167 PolarHBondContact O-N 3.16Å; L164-I168 HydrophobicContact CB-CD1 4.05Å; L164-I168 HydrophobicContact CD2-CD1 4.08Å; L164-I168 VanDerWaalsContact O-CB 3.27Å; L164-I168 WeakPolarHBondContact O-CB 3.21Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.35Å; L164-I168 PolarHBondContact O-N 2.98Å
165G95.8Very high92.8Very high51 Ų5151.9 Ų51.953%0.52628%0.284SS..Hα-helixtrans-63-24.8178.800000114.2G161 V162 V163 P169G161-G165 PolarHBondContact O-N 2.88Å; V162-G165 PolarHBondContact O-N 3.45Å; V163-G165 VanDerWaalsContact C-N 3.33Å; V163-G165 PolarHBondContact O-N 3.22Å; G165-P169 WeakPolarHBondContact O-CD 3.38Å; G165-P169 VanDerWaalsContact O-CG 3.24Å; G165-P169 WeakPolarHBondContact O-CG 3.24Å
166I92.6Very high92.2Very high100 Ų10054.6 Ų54.651%0.51330%0.302SS..Hα-helixtrans-92.3-47.8176.2-64.6168.4000111.1V162 V163 L164 P169 V170V162-I166 HydrophobicContact CG1-CD1 3.87Å; V162-I166 WeakPolarHBondContact O-CG1 3.14Å; V162-I166 PolarHBondContact O-N 3.24Å; V162-I166 VanDerWaalsContact O-N 3.1Å; V163-I166 PolarHBondContact O-N 3.09Å; L164-I166 PolarHBondContact O-N 3.43Å; I166-P169 WeakPolarHBondContact O-CD 3.38Å; I166-V170 VanDerWaalsContact O-CG2 3.26Å; I166-V170 WeakPolarHBondContact O-CG2 3.36Å; I166-V170 PolarHBondContact O-N 3.46Å
167I92.8Very high91.4Very high18 Ų1858 Ų589%0.09232%0.319CS..Hα-helixtrans-75.4-36-170.7-58.3-61.3000112L97 H100 V101 F104 V163 L164 V170 T171L97-I167 HydrophobicContact CD1-CG2 3.95Å; H100-I167 HydrophobicContact CB-CG2 3.82Å; V101-I167 HydrophobicContact CG2-CB 3.98Å; V101-I167 HydrophobicContact CG2-CG1 4.47Å; V101-I167 HydrophobicContact CG2-CG2 3.86Å; F104-I167 HydrophobicContact CD2-CD1 3.69Å; F104-I167 HydrophobicContact CD2-CG1 4.19Å; F104-I167 HydrophobicContact CE2-CD1 3.63Å; V163-I167 HydrophobicContact CG1-CG1 3.89Å; V163-I167 WeakPolarHBondContact O-CB 3.33Å; V163-I167 VanDerWaalsContact O-CG1 3.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.32Å; V163-I167 PolarHBondContact O-N 3.09Å; L164-I167 PolarHBondContact O-N 3.16Å; I167-V170 PolarHBondContact O-N 2.96Å; I167-T171 WeakPolarHBondContact O-CB 3.31Å; I167-T171 PolarHBondContact O-N 3.4Å; I167-T171 PolarHBondContact O-OG1 2.96Å
168I93.4Very high90.5Very high62 Ų6253.4 Ų53.432%0.31830%0.296SS..Hα-helixtrans-60.8-54.2179.3-68.6168.7000110.9L97 L164 V170 T171 I172L97-I168 HydrophobicContact CD1-CG1 3.75Å; L164-I168 HydrophobicContact CB-CD1 4.05Å; L164-I168 HydrophobicContact CD2-CD1 4.08Å; L164-I168 VanDerWaalsContact O-CB 3.27Å; L164-I168 WeakPolarHBondContact O-CB 3.21Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.35Å; L164-I168 PolarHBondContact O-N 2.98Å; I168-V170 VanDerWaalsContact C-N 3.35Å; I168-V170 PolarHBondContact O-N 3.41Å; I168-T171 PolarHBondContact O-N 3.07Å; I168-I172 HydrophobicContact CG2-CD1 3.61Å; I168-I172 HydrophobicContact CG2-CG1 4.29Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 2.95Å
169P92.4Very high89.1Confident71 Ų7146 Ų4646%0.46127%0.268SS..Hα-helixtrans-60.6-41.6179.8-25.736.2000113.2G165 I166 T171 I172 Y173G165-P169 WeakPolarHBondContact O-CD 3.38Å; G165-P169 VanDerWaalsContact O-CG 3.24Å; G165-P169 WeakPolarHBondContact O-CG 3.24Å; I166-P169 WeakPolarHBondContact O-CD 3.38Å; P169-T171 VanDerWaalsContact C-N 3.34Å; P169-T171 PolarHBondContact O-N 2.82Å; P169-I172 PolarHBondContact O-N 2.74Å; P169-Y173 VanDerWaalsContact O-CB 3.29Å; P169-Y173 WeakPolarHBondContact O-CB 3.26Å; P169-Y173 PolarHBondContact O-N 3.49Å
170V89.9Confident87.9Confident56 Ų5648.8 Ų48.834%0.33929%0.285SS..Hα-helixtrans-61.4-44.2177.71720000110.9I166 I167 I168 Y173 Y174 A202I166-V170 VanDerWaalsContact O-CG2 3.26Å; I166-V170 WeakPolarHBondContact O-CG2 3.36Å; I166-V170 PolarHBondContact O-N 3.46Å; I167-V170 PolarHBondContact O-N 2.96Å; I168-V170 VanDerWaalsContact C-N 3.35Å; I168-V170 PolarHBondContact O-N 3.41Å; V170-Y173 PolarHBondContact O-N 2.95Å; V170-Y174 WeakPolarHBondContact O-CB 3.44Å; V170-Y174 PolarHBondContact O-N 3.02Å; V170-A202 HydrophobicContact CG1-CB 3.99Å
171T89.4Confident86.3Confident7 Ų754.1 Ų54.14%0.04331%0.312CS..Hα-helixtrans-69.4-39.1-179.3-51.70000111.6F93 T96 L97 I167 I168 P169 S175F93-T171 HydrophobicContact CD2-CG2 3.79Å; F93-T171 HydrophobicContact CE2-CG2 3.93Å; T96-T171 HydrophobicContact CG2-CG2 4.26Å; L97-T171 HydrophobicContact CB-CG2 4.23Å; I167-T171 WeakPolarHBondContact O-CB 3.31Å; I167-T171 PolarHBondContact O-N 3.4Å; I167-T171 PolarHBondContact O-OG1 2.96Å; I168-T171 PolarHBondContact O-N 3.07Å; P169-T171 VanDerWaalsContact C-N 3.34Å; P169-T171 PolarHBondContact O-N 2.82Å; T171-S175 VanDerWaalsContact O-CB 3.28Å; T171-S175 WeakPolarHBondContact O-CB 3.45Å; T171-S175 PolarHBondContact O-N 3.04Å; T171-S175 PolarHBondContact O-OG 2.93Å; T171-S175 VanDerWaalsContact O-OG 3.04Å
172I89.8Confident84.6Confident77 Ų7753.6 Ų53.640%0.39531%0.307SS..Hα-helixtrans-61.7-51.2174-69.3172.4000109.8F93 I168 P169 Y174 S175 V176F93-I172 HydrophobicContact CE2-CG1 3.73Å; F93-I172 HydrophobicContact CZ-CG1 4.17Å; I168-I172 HydrophobicContact CG2-CD1 3.61Å; I168-I172 HydrophobicContact CG2-CG1 4.29Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 2.95Å; P169-I172 PolarHBondContact O-N 2.74Å; I172-Y174 VanDerWaalsContact C-N 3.33Å; I172-Y174 PolarHBondContact O-N 2.99Å; I172-S175 PolarHBondContact O-N 3.07Å; I172-S175 VanDerWaalsContact O-N 3.13Å; I172-S175 PolarHBondContact O-OG 3.25Å; I172-V176 HydrophobicContact CG2-CG2 4.12Å; I172-V176 WeakPolarHBondContact O-CB 3.28Å; I172-V176 WeakPolarHBondContact O-CG2 3.16Å; I172-V176 PolarHBondContact O-N 3.48Å
173Y88.1Confident83Confident81 Ų8160.8 Ų60.832%0.31834%0.336SS..Hα-helixtrans-53.5-51.4179.4-177.9-89.6000111.3P169 V170 S175 V176 I177 E178 I198P169-Y173 VanDerWaalsContact O-CB 3.29Å; P169-Y173 WeakPolarHBondContact O-CB 3.26Å; P169-Y173 PolarHBondContact O-N 3.49Å; V170-Y173 PolarHBondContact O-N 2.95Å; Y173-S175 PolarHBondContact O-N 2.89Å; Y173-V176 PolarHBondContact O-N 3.41Å; Y173-I177 HydrophobicContact CD2-CD1 3.42Å; Y173-I177 VanDerWaalsContact CD2-CD1 3.42Å; Y173-I177 HydrophobicContact CE2-CB 4.38Å; Y173-I177 HydrophobicContact CE2-CD1 3.38Å; Y173-I177 HydrophobicContact CE2-CG1 4.46Å; Y173-I177 HydrophobicContact CE2-CG2 4.36Å; Y173-I177 HydrophobicContact CG-CD1 4.27Å; Y173-I177 WeakPolarHBondContact O-CB 3.4Å; Y173-I177 PolarHBondContact O-N 3.07Å; Y173-E178 HydrophobicContact CD1-CG 4.18Å; Y173-E178 HydrophobicContact CE1-CG 3.72Å; Y173-I198 HydrophobicContact CD1-CG2 4.17Å; Y173-I198 HydrophobicContact CE1-CB 3.93Å; Y173-I198 HydrophobicContact CE1-CD1 3.84Å; Y173-I198 HydrophobicContact CE1-CG2 3.88Å; Y173-I198 WeakPolarHBondContact OH-CD1 3.4Å
174Y83.9Confident81.7Confident31 Ų3163.4 Ų63.412%0.12235%0.348CS..Iπ-helixtrans-56.6-50.3175.6168.1-99.7000112.3V170 I172 V176 A179 M192 S199V170-Y174 WeakPolarHBondContact O-CB 3.44Å; V170-Y174 PolarHBondContact O-N 3.02Å; I172-Y174 VanDerWaalsContact C-N 3.33Å; I172-Y174 PolarHBondContact O-N 2.99Å; Y174-V176 VanDerWaalsContact C-N 3.34Å; Y174-V176 PolarHBondContact O-N 3.09Å; Y174-A179 VanDerWaalsContact O-CB 3.31Å; Y174-A179 WeakPolarHBondContact O-CB 3.39Å; Y174-A179 PolarHBondContact O-N 3.43Å; Y174-A179 VanDerWaalsContact O-N 3.13Å; Y174-M192 HydrophobicContact CE1-SD 4.32Å; Y174-M192 VanDerWaalsContact OH-C 3.28Å; Y174-M192 WeakPolarHBondContact OH-CA 3.35Å; Y174-M192 PolarHBondContact OH-O 2.93Å; Y174-M192 PolarHBondContact OH-SD 2.98Å; Y174-S199 WeakPolarHBondContact CB-OG 3.22Å; Y174-S199 WeakPolarHBondContact CD2-OG 3.28Å
175S82.3Confident80.7Confident25 Ų2564.3 Ų64.318%0.17536%0.359CS..Iπ-helixtrans-71.9-23.4-173.968.20000114.7Y83 T171 I172 Y173Y83-S175 PolarHBondContact OH-O 3.49Å; T171-S175 VanDerWaalsContact O-CB 3.28Å; T171-S175 WeakPolarHBondContact O-CB 3.45Å; T171-S175 PolarHBondContact O-N 3.04Å; T171-S175 PolarHBondContact O-OG 2.93Å; T171-S175 VanDerWaalsContact O-OG 3.04Å; I172-S175 PolarHBondContact O-N 3.07Å; I172-S175 VanDerWaalsContact O-N 3.13Å; I172-S175 PolarHBondContact O-OG 3.25Å; Y173-S175 PolarHBondContact O-N 2.89Å
176V80.6Confident80.2Confident84 Ų8464.2 Ų64.251%0.50935%0.346SS..Iπ-helixtrans-105.3-34-173.4175.80000112.6I172 Y173 Y174 T180I172-V176 HydrophobicContact CG2-CG2 4.12Å; I172-V176 WeakPolarHBondContact O-CB 3.28Å; I172-V176 WeakPolarHBondContact O-CG2 3.16Å; I172-V176 PolarHBondContact O-N 3.48Å; Y173-V176 PolarHBondContact O-N 3.41Å; Y174-V176 VanDerWaalsContact C-N 3.34Å; Y174-V176 PolarHBondContact O-N 3.09Å; V176-T180 PolarHBondContact O-OG1 3.44Å
177I78.9Confident79.9Confident70 Ų7059.5 Ų59.536%0.35932%0.322SS..Iπ-helixtrans-107.1-62.9-171.7-62.9166.8000109.9Y173 A179 T180Y173-I177 HydrophobicContact CD2-CD1 3.42Å; Y173-I177 VanDerWaalsContact CD2-CD1 3.42Å; Y173-I177 HydrophobicContact CE2-CB 4.38Å; Y173-I177 HydrophobicContact CE2-CD1 3.38Å; Y173-I177 HydrophobicContact CE2-CG1 4.46Å; Y173-I177 HydrophobicContact CE2-CG2 4.36Å; Y173-I177 HydrophobicContact CG-CD1 4.27Å; Y173-I177 WeakPolarHBondContact O-CB 3.4Å; Y173-I177 PolarHBondContact O-N 3.07Å; I177-A179 VanDerWaalsContact C-N 3.31Å; I177-A179 PolarHBondContact O-N 3.48Å; I177-T180 PolarHBondContact O-N 3.07Å; I177-T180 PolarHBondContact O-OG1 2.95Å
178E76.4Confident79.6Confident6 Ų659.1 Ų59.13%0.02832%0.32CS..Iπ-helixtrans-67.6-33.5-172.9-63-172.1166.500112.9Y173 Q191 A196 I198 S199Y173-E178 HydrophobicContact CD1-CG 4.18Å; Y173-E178 HydrophobicContact CE1-CG 3.72Å; E178-Q191 WeakPolarHBondContact O-CG 3.41Å; E178-Q191 PolarHBondContact O-NE2 2.81Å; E178-A196 HydrophobicContact CB-CB 3.93Å; E178-A196 HydrophobicContact CG-CB 3.7Å; E178-A196 PolarHBondContact OE2-N 3.17Å; E178-I198 WeakPolarHBondContact OE1-CB 3.43Å; E178-I198 PolarHBondContact OE1-N 3.21Å; E178-S199 PolarHBondContact OE1-N 3.43Å; E178-S199 PolarHBondContact OE1-OG 3.38Å; E178-S199 WeakPolarHBondContact OE2-CB 3.48Å; E178-S199 PolarHBondContact OE2-OG 3.4Å
179A67.8Low79.2Confident4 Ų456.3 Ų56.33%0.03331%0.306CS..THydrogen-bonded Turntrans-75.1-24.1-178.100000114.2Y83 Y174 I177 M192Y83-A179 HydrophobicContact CE1-CB 4.2Å; Y83-A179 VanDerWaalsContact CE1-O 3.26Å; Y83-A179 WeakPolarHBondContact CE1-O 3.48Å; Y83-A179 HydrophobicContact CE2-CB 3.82Å; Y83-A179 VanDerWaalsContact CZ-CB 3.48Å; Y83-A179 WeakPolarHBondContact OH-CB 3.35Å; Y174-A179 VanDerWaalsContact O-CB 3.31Å; Y174-A179 WeakPolarHBondContact O-CB 3.39Å; Y174-A179 PolarHBondContact O-N 3.43Å; Y174-A179 VanDerWaalsContact O-N 3.13Å; I177-A179 VanDerWaalsContact C-N 3.31Å; I177-A179 PolarHBondContact O-N 3.48Å; A179-M192 HydrophobicContact CB-CE 3.32Å; A179-M192 HydrophobicContact CB-SD 4.37Å
180T68.9Low78.7Confident72 Ų7257.5 Ų57.544%0.44230%0.301SS..THydrogen-bonded Turntrans-84.9-13.9-179.339.50000114.4Y83 V176 I177Y83-T180 HydrophobicContact CE1-CG2 3.84Å; V176-T180 PolarHBondContact O-OG1 3.44Å; I177-T180 PolarHBondContact O-N 3.07Å; I177-T180 PolarHBondContact O-OG1 2.95Å
181E65.4Low78.3Confident151 Ų15157.1 Ų57.171%0.70630%0.295SS*.THydrogen-bonded Turntrans-86.5-3-177.5-69-177.2168.100113.8
182G60.8Low77.9Confident34 Ų3457.4 Ų57.435%0.35130%0.296SS..  trans-81.2141.3-178.200000114.2E184G182-E184 VanDerWaalsContact C-N 3.33Å
183E62.6Low77.6Confident208 Ų20854.5 Ų54.597%0.97228%0.281SS*.SBendtrans-73.7-19.1173.9-70.9-177.1160.100113.6
184E68.1Low77.3Confident64 Ų6451.1 Ų51.130%0.29927%0.268SS..  trans-82.1124.4-179.7-67.6-171.5154.100111.7G182 N189 R190G182-E184 VanDerWaalsContact C-N 3.33Å; E184-N189 HydrophobicContact CB-CB 4.06Å; E184-N189 WeakPolarHBondContact OE2-CB 3.45Å; E184-R190 PolarHBondContact OE2-N 3.25Å; E184-R190 VanDerWaalsContact OE2-N 3.12Å
185S75.1Confident77.2Confident78 Ų7849.8 Ų49.855%0.54527%0.265SS..  trans-79.5-18.7-174.2600000114.8E82 Y83E82-S185 CarbonylContact C-O 3.45Å; E82-S185 WeakPolarHBondContact CA-O 3.19Å; Y83-S185 PolarHBondContact N-O 3.17Å
186L85.6Confident77.2Confident49 Ų4949.8 Ų49.826%0.25727%0.266SS..BIsolated β-bridgetrans-79.7154.1-174.3-64.4177.7000112.7W81 N189W81-L186 CarbonylContact O-C 3.56Å; L186-N189 WeakPolarHBondContact O-CB 3.45Å; L186-N189 PolarHBondContact O-ND2 3.39Å
187C86.8Confident77.3Confident1 Ų152 Ų521%0.00727%0.272CS..SBendtrans-72.8-37.8179.1-176.50000112.5G78 W81 C88 N92 N189 M192G78-C187 WeakPolarHBondContact O-CB 3.41Å; G78-C187 PolarHBondContact O-N 3.47Å; W81-C187 HydrophobicContact CB-CB 4.02Å; W81-C187 VanDerWaalsContact O-CB 3.24Å; W81-C187 WeakPolarHBondContact O-CB 3.42Å; W81-C187 PolarHBondContact O-N 2.82Å; C88-C187 HydrophobicContact CB-CB 3.7Å; C88-C187 WeakPolarHBondContact CB-SG 3.47Å; C88-C187 WeakPolarHBondContact SG-CB 3.49Å; C88-C187 CovalentContact SG-SG 2.02Å; C88-C187 PolarHBondContact SG-SG 2.7Å; N92-C187 PolarHBondContact ND2-SG 2.89Å; C187-N189 PolarHBondContact O-N 2.89Å; C187-M192 WeakPolarHBondContact O-CG 3.35Å
188Y86.4Confident77.5Confident10 Ų1053.1 Ų53.14%0.03928%0.278CS..SBendtrans-90.695.7169.8-168.4-84.2000108.6I8 Y74 F75 G78 F79 E193 I288I8-Y188 HydrophobicContact CG2-CD1 3.64Å; I8-Y188 HydrophobicContact CG2-CE1 3.29Å; Y74-Y188 AromaticContact CE1-CD2 3.65Å; Y74-Y188 HydrophobicContact CE1-CD2 3.65Å; Y74-Y188 AromaticContact CE1-CE2 3.91Å; Y74-Y188 HydrophobicContact CE1-CE2 3.91Å; Y74-Y188 HydrophobicContact CE2-CD2 4.22Å; Y74-Y188 AromaticContact CZ-CD2 3.47Å; Y74-Y188 VanDerWaalsContact CZ-CD2 3.47Å; Y74-Y188 VanDerWaalsContact OH-CD2 3.29Å; Y74-Y188 WeakPolarHBondContact OH-CD2 3.49Å; F75-Y188 HydrophobicContact CD1-CE2 4.01Å; F75-Y188 AromaticContact CE1-CE2 3.92Å; F75-Y188 HydrophobicContact CE1-CE2 3.92Å; G78-Y188 PolarHBondContact O-N 3.32Å; F79-Y188 HydrophobicContact CD1-CD1 4.18Å; F79-Y188 HydrophobicContact CD1-CG 4.45Å; F79-Y188 AromaticContact CE1-CD1 3.17Å; F79-Y188 HydrophobicContact CE1-CD1 3.17Å; F79-Y188 AromaticContact CE1-CE1 3.77Å; F79-Y188 HydrophobicContact CE1-CE1 3.77Å; F79-Y188 AromaticContact CE1-CG 3.74Å; F79-Y188 HydrophobicContact CE1-CG 3.74Å; F79-Y188 AromaticContact CE2-CD1 3.99Å; F79-Y188 HydrophobicContact CE2-CD1 3.99Å; F79-Y188 HydrophobicContact CE2-CD2 4.23Å; F79-Y188 HydrophobicContact CE2-CE1 4.38Å; F79-Y188 AromaticContact CE2-CG 3.88Å; F79-Y188 HydrophobicContact CE2-CG 3.88Å; F79-Y188 AromaticContact CZ-CD1 3.06Å; F79-Y188 HydrophobicContact CZ-CD1 3.06Å; F79-Y188 HydrophobicContact CZ-CD2 4.04Å; F79-Y188 AromaticContact CZ-CE1 3.35Å; F79-Y188 HydrophobicContact CZ-CE1 3.35Å; F79-Y188 HydrophobicContact CZ-CE2 4.32Å; F79-Y188 AromaticContact CZ-CG 3.41Å; F79-Y188 HydrophobicContact CZ-CG 3.41Å; F79-Y188 VanDerWaalsContact CZ-CG 3.41Å; Y188-E193 HydrophobicContact CE2-CG 4.45Å; Y188-I288 WeakPolarHBondContact OH-CG2 3.43Å
189N84.4Confident77.8Confident4 Ų453.6 Ų53.62%0.02128%0.282CS..SBendtrans-141.4174.5-172.476.731.4000111.7E184 L186 C187 Q191 M192 E193E184-N189 HydrophobicContact CB-CB 4.06Å; E184-N189 WeakPolarHBondContact OE2-CB 3.45Å; L186-N189 WeakPolarHBondContact O-CB 3.45Å; L186-N189 PolarHBondContact O-ND2 3.39Å; C187-N189 PolarHBondContact O-N 2.89Å; N189-Q191 WeakPolarHBondContact OD1-CA 3.28Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.37Å; N189-Q191 PolarHBondContact OD1-N 3.48Å; N189-M192 PolarHBondContact O-N 3.42Å; N189-M192 WeakPolarHBondContact OD1-CB 3.18Å; N189-M192 VanDerWaalsContact OD1-CG 3.28Å; N189-M192 WeakPolarHBondContact OD1-CG 3.45Å; N189-M192 PolarHBondContact OD1-N 2.92Å; N189-E193 PolarHBondContact O-N 3.37Å
190R81.8Confident78.7Confident95 Ų9555.2 Ų55.236%0.35829%0.289SS..Hα-helixtrans-62.8-48.4-176.8-173.7-176.7178.8173.53.9111.3I8 E184 M192 E193 L194 H276 L284I8-R190 HydrophobicContact CD1-CB 3.66Å; I8-R190 HydrophobicContact CD1-CG 4.27Å; I8-R190 VanDerWaalsContact CD1-N 3.35Å; E184-R190 PolarHBondContact OE2-N 3.25Å; E184-R190 VanDerWaalsContact OE2-N 3.12Å; R190-M192 PolarHBondContact O-N 3.38Å; R190-E193 PolarHBondContact O-N 2.98Å; R190-L194 HydrophobicContact CB-CD1 4.33Å; R190-L194 HydrophobicContact CG-CD1 3.27Å; R190-L194 VanDerWaalsContact O-CB 3.31Å; R190-L194 WeakPolarHBondContact O-CB 3.49Å; R190-L194 WeakPolarHBondContact O-CD1 3.28Å; R190-L194 PolarHBondContact O-N 2.87Å; R190-H276 PolarHBondContact NE-CE1 3.41Å; R190-H276 PolarHBondContact NE-NE2 3.27Å; R190-H276 PolarHBondContact NH2-CE1 3.08Å; R190-H276 VanDerWaalsContact NH2-CE1 3.35Å; R190-H276 PolarHBondContact NH2-NE2 3.46Å; R190-L284 HydrophobicContact CG-CD2 4.45Å
191Q81.2Confident79.5Confident48 Ų4856.2 Ų56.222%0.22429%0.291CS..Hα-helixtrans-58.4-34.4-178.5-166.270.1-8.400112.2E178 N189 G195E178-Q191 WeakPolarHBondContact O-CG 3.41Å; E178-Q191 PolarHBondContact O-NE2 2.81Å; N189-Q191 WeakPolarHBondContact OD1-CA 3.28Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.37Å; N189-Q191 PolarHBondContact OD1-N 3.48Å; Q191-G195 WeakPolarHBondContact O-CA 3.46Å; Q191-G195 PolarHBondContact O-N 3.26Å
192M80.8Confident80.5Confident13 Ų1350.5 Ų50.56%0.06427%0.269CS..Hα-helixtrans-72.5-47.6179.8-71.1-66.5162.900112.3Y83 Y174 A179 C187 N189 R190 L194Y83-M192 HydrophobicContact CD2-CE 3.14Å; Y83-M192 HydrophobicContact CE2-CE 3.18Å; Y83-M192 HydrophobicContact CG-CE 3.9Å; Y174-M192 HydrophobicContact CE1-SD 4.32Å; Y174-M192 VanDerWaalsContact OH-C 3.28Å; Y174-M192 WeakPolarHBondContact OH-CA 3.35Å; Y174-M192 PolarHBondContact OH-O 2.93Å; Y174-M192 PolarHBondContact OH-SD 2.98Å; A179-M192 HydrophobicContact CB-CE 3.32Å; A179-M192 HydrophobicContact CB-SD 4.37Å; C187-M192 WeakPolarHBondContact O-CG 3.35Å; N189-M192 PolarHBondContact O-N 3.42Å; N189-M192 WeakPolarHBondContact OD1-CB 3.18Å; N189-M192 VanDerWaalsContact OD1-CG 3.28Å; N189-M192 WeakPolarHBondContact OD1-CG 3.45Å; N189-M192 PolarHBondContact OD1-N 2.92Å; R190-M192 PolarHBondContact O-N 3.38Å; M192-L194 PolarHBondContact O-N 2.89Å
193E84.2Confident81.7Confident17 Ų1749.5 Ų49.58%0.07926%0.259CS..Hα-helixtrans-70.4-19.3-177.1-70.4-64.613800113.2Y74 Y188 N189 R190 I288 K291 N292Y74-E193 WeakPolarHBondContact CE1-OE1 3.45Å; Y74-E193 PolarHBondContact OH-OE1 2.93Å; Y188-E193 HydrophobicContact CE2-CG 4.45Å; N189-E193 PolarHBondContact O-N 3.37Å; R190-E193 PolarHBondContact O-N 2.98Å; E193-I288 HydrophobicContact CB-CD1 3.93Å; E193-I288 HydrophobicContact CB-CG1 4.15Å; E193-I288 HydrophobicContact CB-CG2 4.16Å; E193-I288 HydrophobicContact CG-CD1 4.33Å; E193-I288 HydrophobicContact CG-CG2 3.81Å; E193-I288 WeakPolarHBondContact OE2-CG2 3.28Å; E193-K291 WeakPolarHBondContact O-CE 3.49Å; E193-K291 WeakPolarHBondContact OE2-CE 3.45Å; E193-K291 IonicContact OE2-NZ 2.69Å; E193-K291 PolarHBondContact OE2-NZ 2.88Å; E193-N292 PolarHBondContact OE2-ND2 3.22Å; E193-N292 PolarHBondContact OE2-OD1 2.63Å
194L81.9Confident82.8Confident9 Ų943 Ų435%0.04723%0.23CC..Hα-helixtrans-115.8-34.5-170-71.5147.9000114.4R190 M192 Q200 F272 H276 L284R190-L194 HydrophobicContact CB-CD1 4.33Å; R190-L194 HydrophobicContact CG-CD1 3.27Å; R190-L194 VanDerWaalsContact O-CB 3.31Å; R190-L194 WeakPolarHBondContact O-CB 3.49Å; R190-L194 WeakPolarHBondContact O-CD1 3.28Å; R190-L194 PolarHBondContact O-N 2.87Å; M192-L194 PolarHBondContact O-N 2.89Å; L194-Q200 VanDerWaalsContact O-CG 3.32Å; L194-Q200 WeakPolarHBondContact O-CG 3.4Å; L194-F272 HydrophobicContact CD2-CE1 3.5Å; L194-F272 VanDerWaalsContact CD2-CE1 3.5Å; L194-F272 HydrophobicContact CD2-CE2 4.33Å; L194-F272 HydrophobicContact CD2-CZ 3.32Å; L194-F272 HydrophobicContact CG-CE1 4.4Å; L194-F272 HydrophobicContact CG-CZ 4.04Å; L194-H276 WeakPolarHBondContact CD1-CE1 3.49Å; L194-H276 WeakPolarHBondContact CD1-NE2 3.06Å; L194-H276 HydrophobicContact CD2-CB 3.78Å; L194-H276 WeakPolarHBondContact CD2-CD2 3.46Å; L194-H276 VanDerWaalsContact CD2-CE1 3.49Å; L194-H276 WeakPolarHBondContact CD2-CE1 3.39Å; L194-H276 WeakPolarHBondContact CD2-ND1 3.45Å; L194-L284 HydrophobicContact CD1-CD1 4.31Å
195G81.8Confident83.8Confident4 Ų445.5 Ų45.54%0.04124%0.244CC..  trans65.4172.9-166.800000113.4Q191 Q200Q191-G195 WeakPolarHBondContact O-CA 3.46Å; Q191-G195 PolarHBondContact O-N 3.26Å; G195-Q200 PolarHBondContact O-NE2 3.44Å
196A82.8Confident84.3Confident25 Ų2542.3 Ų42.321%0.20722%0.224CC..  trans-90-174.9171.600000110.9E178 I198 S199 Q200E178-A196 HydrophobicContact CB-CB 3.93Å; E178-A196 HydrophobicContact CG-CB 3.7Å; E178-A196 PolarHBondContact OE2-N 3.17Å; A196-I198 VanDerWaalsContact C-N 3.29Å; A196-I198 PolarHBondContact O-N 2.92Å; A196-S199 PolarHBondContact O-N 3.49Å; A196-Q200 WeakPolarHBondContact O-CB 3.31Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.95Å
197M82.9Confident84.3Confident130 Ų13040.1 Ų40.164%0.6421%0.213SC*.Hα-helixtrans-52-42.4-172.5-71.9-71.5-73.400113.7Q200 I201M197-Q200 PolarHBondContact O-N 3.45Å; M197-I201 WeakPolarHBondContact O-CD1 3.48Å; M197-I201 VanDerWaalsContact O-CG1 3.23Å; M197-I201 WeakPolarHBondContact O-CG1 3.21Å; M197-I201 PolarHBondContact O-N 3.35Å
198I83Confident84.3Confident93 Ų9344.2 Ų44.248%0.47724%0.238SC..Hα-helixtrans-73-45.2-175.6-68.8161.9000110.4Y173 E178 A196 Q200 I201 A202Y173-I198 HydrophobicContact CD1-CG2 4.17Å; Y173-I198 HydrophobicContact CE1-CB 3.93Å; Y173-I198 HydrophobicContact CE1-CD1 3.84Å; Y173-I198 HydrophobicContact CE1-CG2 3.88Å; Y173-I198 WeakPolarHBondContact OH-CD1 3.4Å; E178-I198 WeakPolarHBondContact OE1-CB 3.43Å; E178-I198 PolarHBondContact OE1-N 3.21Å; A196-I198 VanDerWaalsContact C-N 3.29Å; A196-I198 PolarHBondContact O-N 2.92Å; I198-Q200 VanDerWaalsContact C-N 3.29Å; I198-Q200 PolarHBondContact O-N 3.02Å; I198-I201 PolarHBondContact O-N 3.47Å; I198-A202 WeakPolarHBondContact O-CB 3.09Å; I198-A202 PolarHBondContact O-N 3.44Å
199S82.7Confident84.4Confident16 Ų1648 Ų4811%0.11226%0.255CS..Hα-helixtrans-64.3-33.7174.8-63.70000113.2Y174 E178 A196 G203Y174-S199 WeakPolarHBondContact CB-OG 3.22Å; Y174-S199 WeakPolarHBondContact CD2-OG 3.28Å; E178-S199 PolarHBondContact OE1-N 3.43Å; E178-S199 PolarHBondContact OE1-OG 3.38Å; E178-S199 WeakPolarHBondContact OE2-CB 3.48Å; E178-S199 PolarHBondContact OE2-OG 3.4Å; A196-S199 PolarHBondContact O-N 3.49Å; S199-G203 WeakPolarHBondContact O-CA 3.31Å; S199-G203 PolarHBondContact O-N 2.99Å
200Q85.9Confident84.4Confident39 Ų3947.9 Ų47.918%0.18225%0.254CS..Hα-helixtrans-64.7-47173.5-70.6175.115.900111.3L194 G195 A196 M197 I198 G203 L204 Y273L194-Q200 VanDerWaalsContact O-CG 3.32Å; L194-Q200 WeakPolarHBondContact O-CG 3.4Å; G195-Q200 PolarHBondContact O-NE2 3.44Å; A196-Q200 WeakPolarHBondContact O-CB 3.31Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.95Å; M197-Q200 PolarHBondContact O-N 3.45Å; I198-Q200 VanDerWaalsContact C-N 3.29Å; I198-Q200 PolarHBondContact O-N 3.02Å; Q200-G203 PolarHBondContact O-N 3.15Å; Q200-L204 WeakPolarHBondContact O-CB 3.21Å; Q200-L204 PolarHBondContact O-N 2.89Å; Q200-Y273 HydrophobicContact CB-CD1 4.09Å; Q200-Y273 HydrophobicContact CB-CE1 4.01Å; Q200-Y273 HydrophobicContact CG-CD1 3.86Å; Q200-Y273 HydrophobicContact CG-CE1 3.73Å
201I85.6Confident84.6Confident93 Ų9344.3 Ų44.348%0.47725%0.247SC..Hα-helixtrans-62.8-47.6177-69.5165.5000110.7M197 I198 G203 L204 I205M197-I201 WeakPolarHBondContact O-CD1 3.48Å; M197-I201 VanDerWaalsContact O-CG1 3.23Å; M197-I201 WeakPolarHBondContact O-CG1 3.21Å; M197-I201 PolarHBondContact O-N 3.35Å; I198-I201 PolarHBondContact O-N 3.47Å; I201-G203 VanDerWaalsContact C-N 3.3Å; I201-G203 PolarHBondContact O-N 2.91Å; I201-L204 PolarHBondContact O-N 3.09Å; I201-I205 HydrophobicContact CG2-CD1 3.78Å; I201-I205 HydrophobicContact CG2-CG1 4.44Å; I201-I205 WeakPolarHBondContact O-CG1 3.3Å; I201-I205 PolarHBondContact O-N 2.87Å
202A86.3Confident84.8Confident31 Ų3148.2 Ų48.226%0.25626%0.263SS..Hα-helixtrans-60.6-42.3177.100000111.3V170 I198 G206V170-A202 HydrophobicContact CG1-CB 3.99Å; I198-A202 WeakPolarHBondContact O-CB 3.09Å; I198-A202 PolarHBondContact O-N 3.44Å; A202-G206 PolarHBondContact O-N 2.8Å
203G85.3Confident85Confident12 Ų1248 Ų4812%0.12426%0.263CS..Hα-helixtrans-62-41.4175.300000112.8S199 Q200 I201 T207S199-G203 WeakPolarHBondContact O-CA 3.31Å; S199-G203 PolarHBondContact O-N 2.99Å; Q200-G203 PolarHBondContact O-N 3.15Å; I201-G203 VanDerWaalsContact C-N 3.3Å; I201-G203 PolarHBondContact O-N 2.91Å; G203-T207 WeakPolarHBondContact O-CB 3.38Å; G203-T207 PolarHBondContact O-N 3.48Å; G203-T207 PolarHBondContact O-OG1 3.28Å
204L87.1Confident84.9Confident72 Ų7247.4 Ų47.438%0.37726%0.26SS..Hα-helixtrans-66.7-50.2177-176.666.4000111.3Q200 I201 G206 T207 T208 P270 Y273Q200-L204 WeakPolarHBondContact O-CB 3.21Å; Q200-L204 PolarHBondContact O-N 2.89Å; I201-L204 PolarHBondContact O-N 3.09Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-G206 PolarHBondContact O-N 3.5Å; L204-T207 PolarHBondContact O-N 2.86Å; L204-T207 VanDerWaalsContact O-N 3.15Å; L204-T208 PolarHBondContact O-N 3.23Å; L204-T208 PolarHBondContact O-OG1 2.88Å; L204-T208 VanDerWaalsContact O-OG1 3.06Å; L204-P270 HydrophobicContact CD1-CB 3.96Å; L204-P270 HydrophobicContact CD1-CG 4.33Å; L204-Y273 HydrophobicContact CD1-CD2 4.5Å
205I88.4Confident85Confident116 Ų11651.6 Ų51.660%0.59528%0.282SS*.Hα-helixtrans-56.6-49176.5-68.2168.3000110I201 T207 T208 F209I201-I205 HydrophobicContact CG2-CD1 3.78Å; I201-I205 HydrophobicContact CG2-CG1 4.44Å; I201-I205 WeakPolarHBondContact O-CG1 3.3Å; I201-I205 PolarHBondContact O-N 2.87Å; I205-T207 VanDerWaalsContact C-N 3.28Å; I205-T207 PolarHBondContact O-N 3.07Å; I205-T208 PolarHBondContact O-N 3.42Å; I205-F209 WeakPolarHBondContact O-CB 3.19Å; I205-F209 PolarHBondContact O-N 3.14Å
206G86.5Confident85.1Confident12 Ų1253.1 Ų53.112%0.12429%0.29CS..Hα-helixtrans-59.6-39.1178.800000112.7F104 A202 L204 F209 I210F104-G206 WeakPolarHBondContact CE1-O 3.44Å; A202-G206 PolarHBondContact O-N 2.8Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-G206 PolarHBondContact O-N 3.5Å; G206-F209 WeakPolarHBondContact O-CB 3.35Å; G206-F209 PolarHBondContact O-N 3.19Å; G206-I210 WeakPolarHBondContact O-CG1 3.47Å; G206-I210 PolarHBondContact O-N 3.17Å
207T85.4Confident85.1Confident2 Ų252.4 Ų52.41%0.01228%0.284CS..Hα-helixtrans-75.9-36.9-179.1-510000112.4G203 L204 I205 F209 I210 G211 K269 P270G203-T207 WeakPolarHBondContact O-CB 3.38Å; G203-T207 PolarHBondContact O-N 3.48Å; G203-T207 PolarHBondContact O-OG1 3.28Å; L204-T207 PolarHBondContact O-N 2.86Å; L204-T207 VanDerWaalsContact O-N 3.15Å; I205-T207 VanDerWaalsContact C-N 3.28Å; I205-T207 PolarHBondContact O-N 3.07Å; T207-F209 VanDerWaalsContact C-N 3.28Å; T207-F209 PolarHBondContact O-N 3.45Å; T207-I210 WeakPolarHBondContact O-CB 3.43Å; T207-I210 PolarHBondContact O-N 3Å; T207-G211 PolarHBondContact O-N 2.9Å; T207-K269 HydrophobicContact CG2-CB 4.19Å; T207-K269 HydrophobicContact CG2-CD 3.99Å; T207-K269 WeakPolarHBondContact OG1-CD 3.34Å; T207-K269 PolarHBondContact OG1-NZ 2.91Å; T207-P270 HydrophobicContact CG2-CG 4.18Å
208T87.1Confident85.1Confident88 Ų8849.1 Ų49.154%0.5427%0.268SS..Hα-helixtrans-59.8-42.3170.4-60.80000110.7L204 I205 G211 F212L204-T208 PolarHBondContact O-N 3.23Å; L204-T208 PolarHBondContact O-OG1 2.88Å; L204-T208 VanDerWaalsContact O-OG1 3.06Å; I205-T208 PolarHBondContact O-N 3.42Å; T208-G211 PolarHBondContact O-N 3.49Å; T208-F212 WeakPolarHBondContact O-CB 3.07Å; T208-F212 PolarHBondContact O-N 3.23Å
209F87.9Confident85.1Confident89 Ų8948.5 Ų48.539%0.3927%0.269SS..Hα-helixtrans-62.9-41.8175.4-177.2-98000112.7F104 L108 I205 G206 T207 F212 S213F104-F209 HydrophobicContact CD1-CD1 4.1Å; F104-F209 HydrophobicContact CE1-CD1 4.04Å; L108-F209 HydrophobicContact CD1-CE1 4.37Å; L108-F209 HydrophobicContact CD2-CE1 3.59Å; L108-F209 HydrophobicContact CD2-CZ 3.53Å; L108-F209 HydrophobicContact CG-CE1 4.08Å; L108-F209 HydrophobicContact CG-CZ 4.47Å; I205-F209 WeakPolarHBondContact O-CB 3.19Å; I205-F209 PolarHBondContact O-N 3.14Å; G206-F209 WeakPolarHBondContact O-CB 3.35Å; G206-F209 PolarHBondContact O-N 3.19Å; T207-F209 VanDerWaalsContact C-N 3.28Å; T207-F209 PolarHBondContact O-N 3.45Å; F209-F212 PolarHBondContact O-N 3.47Å; F209-S213 WeakPolarHBondContact O-CB 3.42Å; F209-S213 PolarHBondContact O-N 2.99Å; F209-S213 PolarHBondContact O-OG 3.38Å
210I84.1Confident85Confident2 Ų248.2 Ų48.21%0.0127%0.267CS..Hα-helixtrans-60.3-47.9173.3-75.1170.5000110.8F104 L107 G206 T207 F212 S213 F214F104-I210 HydrophobicContact CD1-CD1 4.17Å; F104-I210 HydrophobicContact CD1-CG1 3.93Å; F104-I210 HydrophobicContact CE1-CD1 3.68Å; F104-I210 HydrophobicContact CE1-CG1 3.54Å; F104-I210 HydrophobicContact CE2-CD1 4.22Å; F104-I210 HydrophobicContact CZ-CD1 3.68Å; F104-I210 HydrophobicContact CZ-CG1 4.08Å; L107-I210 HydrophobicContact CD1-CB 3.98Å; L107-I210 HydrophobicContact CD1-CD1 4.19Å; L107-I210 HydrophobicContact CD1-CG1 3.64Å; L107-I210 HydrophobicContact CD1-CG2 3.46Å; L107-I210 VanDerWaalsContact CD1-CG2 3.46Å; G206-I210 WeakPolarHBondContact O-CG1 3.47Å; G206-I210 PolarHBondContact O-N 3.17Å; T207-I210 WeakPolarHBondContact O-CB 3.43Å; T207-I210 PolarHBondContact O-N 3Å; I210-F212 PolarHBondContact O-N 3.47Å; I210-S213 PolarHBondContact O-N 3.38Å; I210-F214 WeakPolarHBondContact O-CB 3.16Å; I210-F214 PolarHBondContact O-N 2.93Å
211G85.1Confident84.6Confident20 Ų2048.1 Ų48.121%0.20627%0.265CS..Hα-helixtrans-59.8-45177.600000112.3T207 T208 F214 L215T207-G211 PolarHBondContact O-N 2.9Å; T208-G211 PolarHBondContact O-N 3.49Å; G211-F214 WeakPolarHBondContact O-CB 3.29Å; G211-F214 PolarHBondContact O-N 2.93Å; G211-L215 WeakPolarHBondContact O-CG 3.35Å; G211-L215 PolarHBondContact O-N 3.33Å
212F86.3Confident84.4Confident130 Ų13051.5 Ų51.557%0.5727%0.273SS*.Hα-helixtrans-61-47.1174.6177.4-99.7000112.1T208 F209 I210 F214 L215 V216T208-F212 WeakPolarHBondContact O-CB 3.07Å; T208-F212 PolarHBondContact O-N 3.23Å; F209-F212 PolarHBondContact O-N 3.47Å; I210-F212 PolarHBondContact O-N 3.47Å; F212-F214 PolarHBondContact O-N 3.42Å; F212-L215 WeakPolarHBondContact O-CB 3.42Å; F212-L215 PolarHBondContact O-N 2.77Å; F212-L215 VanDerWaalsContact O-N 3.09Å; F212-V216 HydrophobicContact CD1-CG2 4.32Å; F212-V216 HydrophobicContact CE1-CG2 3.86Å; F212-V216 HydrophobicContact CE2-CG2 4.45Å; F212-V216 HydrophobicContact CZ-CG2 3.94Å; F212-V216 WeakPolarHBondContact O-CG2 3.45Å; F212-V216 PolarHBondContact O-N 2.97Å
213S84.9Confident83.9Confident7 Ų752 Ų525%0.04927%0.274CS..Hα-helixtrans-58.7-38.4177.8-63.10000111.9S111 F209 I210 V216 V217S111-S213 WeakPolarHBondContact OG-CB 3.46Å; S111-S213 PolarHBondContact OG-O 2.81Å; F209-S213 WeakPolarHBondContact O-CB 3.42Å; F209-S213 PolarHBondContact O-N 2.99Å; F209-S213 PolarHBondContact O-OG 3.38Å; I210-S213 PolarHBondContact O-N 3.38Å; S213-V216 PolarHBondContact O-N 3.4Å; S213-V217 WeakPolarHBondContact O-CG2 3.36Å; S213-V217 PolarHBondContact O-N 3.33Å
214F81.8Confident83.3Confident6 Ų652.3 Ų52.33%0.02627%0.272CS..Hα-helixtrans-65.1-43.7173.9171.4-89.4000112.4I210 G211 F212 V216 V217 L218 L258 I259 L263I210-F214 WeakPolarHBondContact O-CB 3.16Å; I210-F214 PolarHBondContact O-N 2.93Å; G211-F214 WeakPolarHBondContact O-CB 3.29Å; G211-F214 PolarHBondContact O-N 2.93Å; F212-F214 PolarHBondContact O-N 3.42Å; F214-V216 VanDerWaalsContact C-N 3.3Å; F214-V216 PolarHBondContact O-N 3.21Å; F214-V217 PolarHBondContact O-N 2.9Å; F214-V217 VanDerWaalsContact O-N 3.13Å; F214-L218 HydrophobicContact CE1-CD2 4.44Å; F214-L218 PolarHBondContact O-N 3.44Å; F214-L258 HydrophobicContact CD2-CB 4.34Å; F214-L258 HydrophobicContact CE2-CB 3.92Å; F214-I259 HydrophobicContact CE2-CG1 4.22Å; F214-I259 HydrophobicContact CZ-CG1 3.76Å; F214-L263 HydrophobicContact CD1-CD1 4.21Å; F214-L263 HydrophobicContact CE1-CD1 3.68Å; F214-L263 HydrophobicContact CE1-CG 4.48Å; F214-L263 HydrophobicContact CE2-CB 4.47Å; F214-L263 HydrophobicContact CZ-CB 4.07Å; F214-L263 HydrophobicContact CZ-CD1 4.07Å; F214-L263 HydrophobicContact CZ-CD2 4.42Å; F214-L263 HydrophobicContact CZ-CG 4.42Å
215L84.9Confident82.7Confident96 Ų9649.3 Ų49.350%0.50326%0.257SS..Hα-helixtrans-61.9-38.1176.3-69.3176.1000111.9G211 F212 V217 L218 T219G211-L215 WeakPolarHBondContact O-CG 3.35Å; G211-L215 PolarHBondContact O-N 3.33Å; F212-L215 WeakPolarHBondContact O-CB 3.42Å; F212-L215 PolarHBondContact O-N 2.77Å; F212-L215 VanDerWaalsContact O-N 3.09Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 3.29Å; L215-L218 PolarHBondContact O-N 3.13Å; L215-T219 WeakPolarHBondContact O-CB 3.37Å; L215-T219 WeakPolarHBondContact O-CG2 3.34Å; L215-T219 PolarHBondContact O-N 2.89Å; L215-T219 PolarHBondContact O-OG1 2.86Å
216V83.8Confident81.9Confident36 Ų3646.4 Ų46.422%0.21825%0.247CC..Hα-helixtrans-61.1-42.1173.4172.90000111.3V115 F212 S213 F214 T219 S220V115-V216 HydrophobicContact CG2-CG1 3.78Å; F212-V216 HydrophobicContact CD1-CG2 4.32Å; F212-V216 HydrophobicContact CE1-CG2 3.86Å; F212-V216 HydrophobicContact CE2-CG2 4.45Å; F212-V216 HydrophobicContact CZ-CG2 3.94Å; F212-V216 WeakPolarHBondContact O-CG2 3.45Å; F212-V216 PolarHBondContact O-N 2.97Å; S213-V216 PolarHBondContact O-N 3.4Å; F214-V216 VanDerWaalsContact C-N 3.3Å; F214-V216 PolarHBondContact O-N 3.21Å; V216-T219 WeakPolarHBondContact CA-OG1 3.46Å; V216-T219 PolarHBondContact O-OG1 2.89Å; V216-T219 VanDerWaalsContact O-OG1 3.07Å; V216-S220 VanDerWaalsContact O-CB 3.28Å; V216-S220 WeakPolarHBondContact O-CB 3.31Å; V216-S220 PolarHBondContact O-N 3.3Å; V216-S220 PolarHBondContact O-OG 2.92Å
217V82.9Confident81Confident11 Ų1146.6 Ų46.67%0.06725%0.245CC..Hα-helixtrans-65.2-44175.6178.70000111.2S111 A114 S213 F214 L215 S220 Y221 L258S111-V217 VanDerWaalsContact CA-CG2 3.48Å; A114-V217 HydrophobicContact CB-CB 4.26Å; A114-V217 HydrophobicContact CB-CG1 4.05Å; A114-V217 HydrophobicContact CB-CG2 4.06Å; S213-V217 WeakPolarHBondContact O-CG2 3.36Å; S213-V217 PolarHBondContact O-N 3.33Å; F214-V217 PolarHBondContact O-N 2.9Å; F214-V217 VanDerWaalsContact O-N 3.13Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 3.29Å; V217-S220 WeakPolarHBondContact CA-OG 3.45Å; V217-S220 PolarHBondContact O-OG 3.41Å; V217-Y221 WeakPolarHBondContact O-CB 3.26Å; V217-Y221 PolarHBondContact O-N 3.1Å; V217-L258 HydrophobicContact CB-CD1 4.36Å; V217-L258 HydrophobicContact CG1-CD1 3.48Å; V217-L258 VanDerWaalsContact CG1-CD1 3.48Å
218L82.4Confident80.1Confident61 Ų6148 Ų4832%0.31925%0.252SS..Hα-helixtrans-63.1-48-179.2-177.469.1000111.7F214 L215 Y221 Y222 Q255 I259F214-L218 HydrophobicContact CE1-CD2 4.44Å; F214-L218 PolarHBondContact O-N 3.44Å; L215-L218 PolarHBondContact O-N 3.13Å; L218-Y221 PolarHBondContact O-N 2.92Å; L218-Y222 WeakPolarHBondContact O-CB 3.1Å; L218-Y222 PolarHBondContact O-N 2.92Å; L218-Q255 HydrophobicContact CD1-CG 4.28Å; L218-I259 HydrophobicContact CD1-CD1 4.34Å
219T82.9Confident79.3Confident80 Ų8051 Ų5149%0.49125%0.254SS..Hα-helixtrans-65-45.5179.749.50000111.7L215 V216 Y221 Y222 S223L215-T219 WeakPolarHBondContact O-CB 3.37Å; L215-T219 WeakPolarHBondContact O-CG2 3.34Å; L215-T219 PolarHBondContact O-N 2.89Å; L215-T219 PolarHBondContact O-OG1 2.86Å; V216-T219 WeakPolarHBondContact CA-OG1 3.46Å; V216-T219 PolarHBondContact O-OG1 2.89Å; V216-T219 VanDerWaalsContact O-OG1 3.07Å; T219-Y221 VanDerWaalsContact C-N 3.33Å; T219-Y221 PolarHBondContact O-N 3.28Å; T219-Y222 PolarHBondContact O-N 3.26Å; T219-S223 WeakPolarHBondContact O-CB 3.45Å; T219-S223 PolarHBondContact O-N 2.99Å; T219-S223 PolarHBondContact O-OG 3.48Å; T219-S223 VanDerWaalsContact O-OG 3.1Å
220S80.7Confident78.3Confident9 Ų953.4 Ų53.46%0.06326%0.264CS..Hα-helixtrans-62.7-37.4176.555.80000112.8A114 V216 V217 F224A114-S220 WeakPolarHBondContact CB-OG 3.44Å; V216-S220 VanDerWaalsContact O-CB 3.28Å; V216-S220 WeakPolarHBondContact O-CB 3.31Å; V216-S220 PolarHBondContact O-N 3.3Å; V216-S220 PolarHBondContact O-OG 2.92Å; V217-S220 WeakPolarHBondContact CA-OG 3.45Å; V217-S220 PolarHBondContact O-OG 3.41Å; S220-F224 VanDerWaalsContact O-CB 3.27Å; S220-F224 WeakPolarHBondContact O-CB 3.36Å; S220-F224 PolarHBondContact O-N 3.27Å
221Y78.3Confident77.4Confident38 Ų3856 Ų5615%0.14928%0.277CS..Hα-helixtrans-67.8-45.5173.2173.7-107.7000112.6V217 L218 T219 S223 F224 V225 L251 L252 Q255V217-Y221 WeakPolarHBondContact O-CB 3.26Å; V217-Y221 PolarHBondContact O-N 3.1Å; L218-Y221 PolarHBondContact O-N 2.92Å; T219-Y221 VanDerWaalsContact C-N 3.33Å; T219-Y221 PolarHBondContact O-N 3.28Å; Y221-S223 VanDerWaalsContact C-N 3.34Å; Y221-S223 PolarHBondContact O-N 3.03Å; Y221-F224 WeakPolarHBondContact O-CA 3.46Å; Y221-F224 WeakPolarHBondContact O-CB 3.44Å; Y221-F224 PolarHBondContact O-N 2.63Å; Y221-V225 HydrophobicContact CD1-CG2 4.47Å; Y221-V225 HydrophobicContact CD2-CG2 4.03Å; Y221-V225 HydrophobicContact CE1-CG2 3.95Å; Y221-V225 HydrophobicContact CE2-CG2 3.41Å; Y221-V225 VanDerWaalsContact CE2-CG2 3.41Å; Y221-V225 WeakPolarHBondContact O-CG2 3.33Å; Y221-V225 PolarHBondContact O-N 2.9Å; Y221-L251 HydrophobicContact CD2-CB 3.7Å; Y221-L251 HydrophobicContact CD2-CD1 4.45Å; Y221-L251 HydrophobicContact CE2-CB 3.39Å; Y221-L252 WeakPolarHBondContact OH-CA 3.41Å; Y221-L252 VanDerWaalsContact OH-CB 3.24Å; Y221-L252 WeakPolarHBondContact OH-CB 3.24Å; Y221-Q255 HydrophobicContact CD1-CB 4.13Å; Y221-Q255 HydrophobicContact CD1-CG 3.77Å; Y221-Q255 HydrophobicContact CE1-CB 4.14Å; Y221-Q255 HydrophobicContact CE1-CG 4.04Å; Y221-Q255 HydrophobicContact CG-CG 4.42Å
222Y79.4Confident76.4Confident163 Ų16361.3 Ų61.364%0.63929%0.291SS*.Hα-helixtrans-57.1-49.9176.8174.7-97.8000110.8L218 T219 F224 V225 S226L218-Y222 WeakPolarHBondContact O-CB 3.1Å; L218-Y222 PolarHBondContact O-N 2.92Å; T219-Y222 PolarHBondContact O-N 3.26Å; Y222-F224 PolarHBondContact O-N 3.31Å; Y222-V225 PolarHBondContact O-N 3.4Å; Y222-S226 WeakPolarHBondContact O-CB 3.39Å; Y222-S226 PolarHBondContact O-N 3.46Å
223S75.8Confident75.2Confident41 Ų4161.1 Ų61.129%0.28730%0.3SS..Hα-helixtrans-59.1-38.8175.1-61.70000111.4Y118 T219 Y221 S226 H227Y118-S223 VanDerWaalsContact CE2-CB 3.4Å; T219-S223 WeakPolarHBondContact O-CB 3.45Å; T219-S223 PolarHBondContact O-N 2.99Å; T219-S223 PolarHBondContact O-OG 3.48Å; T219-S223 VanDerWaalsContact O-OG 3.1Å; Y221-S223 VanDerWaalsContact C-N 3.34Å; Y221-S223 PolarHBondContact O-N 3.03Å; S223-S226 PolarHBondContact O-N 3.28Å; S223-H227 VanDerWaalsContact O-CB 3.29Å; S223-H227 WeakPolarHBondContact O-CB 3.07Å; S223-H227 PolarHBondContact O-N 2.92Å
224F74.3Confident73.8Confident19 Ų1965.3 Ų65.38%0.08333%0.329CS..Hα-helixtrans-62.5-45.8177.7179.3-83.9000113.1R117 L121 S220 Y221 Y222 L228 V247 L251R117-F224 HydrophobicContact CB-CD2 4.35Å; L121-F224 HydrophobicContact CD1-CB 3.54Å; L121-F224 HydrophobicContact CD1-CD2 3.03Å; L121-F224 HydrophobicContact CD1-CE2 3.8Å; L121-F224 HydrophobicContact CD1-CG 3.47Å; L121-F224 VanDerWaalsContact CD1-CG 3.47Å; L121-F224 HydrophobicContact CD2-CD2 3.94Å; L121-F224 HydrophobicContact CD2-CE2 3.81Å; L121-F224 HydrophobicContact CG-CD2 3.5Å; L121-F224 HydrophobicContact CG-CE2 3.86Å; L121-F224 HydrophobicContact CG-CG 4.4Å; S220-F224 VanDerWaalsContact O-CB 3.27Å; S220-F224 WeakPolarHBondContact O-CB 3.36Å; S220-F224 PolarHBondContact O-N 3.27Å; Y221-F224 WeakPolarHBondContact O-CA 3.46Å; Y221-F224 WeakPolarHBondContact O-CB 3.44Å; Y221-F224 PolarHBondContact O-N 2.63Å; Y222-F224 PolarHBondContact O-N 3.31Å; F224-L228 HydrophobicContact CD1-CD1 3.48Å; F224-L228 VanDerWaalsContact CD1-CD1 3.48Å; F224-L228 HydrophobicContact CD2-CD1 4.45Å; F224-L228 HydrophobicContact CE1-CD1 3.06Å; F224-L228 HydrophobicContact CE1-CG 4.43Å; F224-L228 HydrophobicContact CE2-CD1 4.08Å; F224-L228 HydrophobicContact CG-CD1 4.15Å; F224-L228 HydrophobicContact CZ-CD1 3.39Å; F224-L228 WeakPolarHBondContact O-CB 3.05Å; F224-L228 WeakPolarHBondContact O-CD1 3.18Å; F224-L228 VanDerWaalsContact O-CG 3.23Å; F224-L228 WeakPolarHBondContact O-CG 3.26Å; F224-L228 PolarHBondContact O-N 3Å; F224-V247 HydrophobicContact CE1-CG1 4.44Å; F224-V247 HydrophobicContact CZ-CG1 4.13Å; F224-L251 HydrophobicContact CD1-CD1 3.54Å; F224-L251 HydrophobicContact CE1-CD1 3.17Å; F224-L251 HydrophobicContact CE2-CD1 4.4Å; F224-L251 HydrophobicContact CG-CD1 4.29Å; F224-L251 HydrophobicContact CZ-CD1 3.69Å
225V73.5Confident72.6Confident10 Ų1067.5 Ų67.56%0.06134%0.343CS..Hα-helixtrans-69.8-42.9178.3173.90000111.6Y221 Y222 L228 R229Y221-V225 HydrophobicContact CD1-CG2 4.47Å; Y221-V225 HydrophobicContact CD2-CG2 4.03Å; Y221-V225 HydrophobicContact CE1-CG2 3.95Å; Y221-V225 HydrophobicContact CE2-CG2 3.41Å; Y221-V225 VanDerWaalsContact CE2-CG2 3.41Å; Y221-V225 WeakPolarHBondContact O-CG2 3.33Å; Y221-V225 PolarHBondContact O-N 2.9Å; Y222-V225 PolarHBondContact O-N 3.4Å; V225-L228 PolarHBondContact O-N 3.43Å; V225-R229 WeakPolarHBondContact O-CG 3.32Å; V225-R229 PolarHBondContact O-N 3.44Å
226S72.4Confident71Confident55 Ų5568.9 Ų68.939%0.38536%0.361SS..Hα-helixtrans-59.9-51.2-179.4-179.10000111.3Y222 S223 L228 R229 K230Y222-S226 WeakPolarHBondContact O-CB 3.39Å; Y222-S226 PolarHBondContact O-N 3.46Å; S223-S226 PolarHBondContact O-N 3.28Å; S226-L228 VanDerWaalsContact C-N 3.33Å; S226-L228 PolarHBondContact O-N 3.49Å; S226-R229 WeakPolarHBondContact O-CB 3.31Å; S226-R229 PolarHBondContact O-N 3.01Å; S226-R229 VanDerWaalsContact O-N 3.12Å; S226-K230 PolarHBondContact O-N 3.47Å
227H67.4Low69.6Low16 Ų1671 Ų717%0.07437%0.37CS..Hα-helixtrans-60.8-41.7177.7169.4-114.8000112.2L121 D125 S223 R229 K230 I231L121-H227 HydrophobicContact CD1-CB 4.43Å; D125-H227 IonicContact OD1-CD2 3.65Å; D125-H227 PolarHBondContact OD1-CD2 2.8Å; D125-H227 IonicContact OD1-CE1 3.92Å; D125-H227 IonicContact OD1-NE2 2.77Å; D125-H227 PolarHBondContact OD1-NE2 3.5Å; D125-H227 IonicContact OD2-CD2 2.8Å; D125-H227 PolarHBondContact OD2-CD2 2.9Å; D125-H227 IonicContact OD2-CE1 3.81Å; D125-H227 IonicContact OD2-CG 3.06Å; D125-H227 IonicContact OD2-ND1 3.11Å; D125-H227 IonicContact OD2-NE2 3.69Å; D125-H227 PolarHBondContact OD2-NE2 3.29Å; S223-H227 VanDerWaalsContact O-CB 3.29Å; S223-H227 WeakPolarHBondContact O-CB 3.07Å; S223-H227 PolarHBondContact O-N 2.92Å; H227-R229 VanDerWaalsContact C-N 3.3Å; H227-R229 PolarHBondContact O-N 3.3Å; H227-K230 WeakPolarHBondContact O-CB 3.31Å; H227-K230 PolarHBondContact O-N 3.3Å; H227-K230 VanDerWaalsContact O-N 3.1Å; H227-I231 WeakPolarHBondContact CE1-CD1 3.41Å; H227-I231 WeakPolarHBondContact NE2-CD1 3.35Å; H227-I231 WeakPolarHBondContact NE2-CG1 3.27Å; H227-I231 PolarHBondContact O-N 2.93Å
228L67Low68.1Low31 Ų3178.6 Ų78.616%0.16241%0.406CS..Hα-helixtrans-66.1-31.6176.7-75.9168.3000113.6F224 V225 S226 R232 Y244F224-L228 HydrophobicContact CD1-CD1 3.48Å; F224-L228 VanDerWaalsContact CD1-CD1 3.48Å; F224-L228 HydrophobicContact CD2-CD1 4.45Å; F224-L228 HydrophobicContact CE1-CD1 3.06Å; F224-L228 HydrophobicContact CE1-CG 4.43Å; F224-L228 HydrophobicContact CE2-CD1 4.08Å; F224-L228 HydrophobicContact CG-CD1 4.15Å; F224-L228 HydrophobicContact CZ-CD1 3.39Å; F224-L228 WeakPolarHBondContact O-CB 3.05Å; F224-L228 WeakPolarHBondContact O-CD1 3.18Å; F224-L228 VanDerWaalsContact O-CG 3.23Å; F224-L228 WeakPolarHBondContact O-CG 3.26Å; F224-L228 PolarHBondContact O-N 3Å; V225-L228 PolarHBondContact O-N 3.43Å; S226-L228 VanDerWaalsContact C-N 3.33Å; S226-L228 PolarHBondContact O-N 3.49Å; L228-R232 WeakPolarHBondContact O-CB 3.18Å; L228-R232 PolarHBondContact O-N 2.97Å; L228-Y244 HydrophobicContact CB-CE2 3.69Å; L228-Y244 HydrophobicContact CD1-CD2 4.26Å; L228-Y244 HydrophobicContact CD1-CE2 3.83Å; L228-Y244 HydrophobicContact CD2-CD2 4.29Å; L228-Y244 HydrophobicContact CD2-CE2 4.17Å; L228-Y244 HydrophobicContact CG-CE2 4.12Å
229R69.7Low66.6Low152 Ų15284.5 Ų84.557%0.57443%0.432SS*.Hα-helixtrans-64.8-43.6170.7-70.2174-168.8-174.53110.2V225 S226 H227 R232 T233V225-R229 WeakPolarHBondContact O-CG 3.32Å; V225-R229 PolarHBondContact O-N 3.44Å; S226-R229 WeakPolarHBondContact O-CB 3.31Å; S226-R229 PolarHBondContact O-N 3.01Å; S226-R229 VanDerWaalsContact O-N 3.12Å; H227-R229 VanDerWaalsContact C-N 3.3Å; H227-R229 PolarHBondContact O-N 3.3Å; R229-R232 PolarHBondContact O-N 3.45Å; R229-T233 PolarHBondContact O-N 2.98Å; R229-T233 VanDerWaalsContact O-N 3.1Å; R229-T233 PolarHBondContact O-OG1 3.5Å
230K66.8Low65.1Low139 Ų13987.9 Ų87.960%0.60444%0.44SS*.Hα-helixtrans-60.4-49.2178.3-169.2180179.4-173.50112.5S226 H227 R232 T233 C234S226-K230 PolarHBondContact O-N 3.47Å; H227-K230 WeakPolarHBondContact O-CB 3.31Å; H227-K230 PolarHBondContact O-N 3.3Å; H227-K230 VanDerWaalsContact O-N 3.1Å; K230-R232 PolarHBondContact O-N 3.19Å; K230-T233 PolarHBondContact O-N 2.93Å; K230-C234 PolarHBondContact O-N 2.88Å; K230-C234 PolarHBondContact O-SG 2.73Å
231I64.9Low64Low57 Ų5789.7 Ų89.729%0.29245%0.449SS..Hα-helixtrans-55.8-42.2175.3-72.2-179.4000111.1H227 C234 T235H227-I231 WeakPolarHBondContact CE1-CD1 3.41Å; H227-I231 WeakPolarHBondContact NE2-CD1 3.35Å; H227-I231 WeakPolarHBondContact NE2-CG1 3.27Å; H227-I231 PolarHBondContact O-N 2.93Å; I231-C234 CarbonylContact O-C 3.6Å; I231-C234 PolarHBondContact O-N 2.9Å; I231-C234 VanDerWaalsContact O-N 3.14Å; I231-T235 PolarHBondContact O-N 2.94Å; I231-T235 PolarHBondContact O-OG1 3.24Å
232R63.6Low62.9Low130 Ų13094.3 Ų94.349%0.49148%0.476SS..Hα-helixtrans-67-36.9-177.2-163.5179.1-167.6-151.4-1.8112.5L228 R229 K230 C234 D241L228-R232 WeakPolarHBondContact O-CB 3.18Å; L228-R232 PolarHBondContact O-N 2.97Å; R229-R232 PolarHBondContact O-N 3.45Å; K230-R232 PolarHBondContact O-N 3.19Å; R232-C234 VanDerWaalsContact C-N 3.26Å; R232-C234 PolarHBondContact O-N 3.07Å; R232-D241 IonicContact CZ-OD1 3.94Å; R232-D241 IonicContact CZ-OD2 3.42Å; R232-D241 IonicContact NE-OD1 2.82Å; R232-D241 PolarHBondContact NE-OD1 3.49Å; R232-D241 VanDerWaalsContact NE-OD1 3.11Å; R232-D241 IonicContact NE-OD2 2.96Å; R232-D241 VanDerWaalsContact NH2-CG 3.28Å; R232-D241 IonicContact NH2-OD1 3.43Å; R232-D241 PolarHBondContact NH2-OD1 3.5Å; R232-D241 VanDerWaalsContact NH2-OD1 3.15Å; R232-D241 IonicContact NH2-OD2 3.15Å; R232-D241 PolarHBondContact NH2-OD2 3.25Å
233T61.1Low61.9Low126 Ų12691 Ų9177%0.77347%0.473SS*.Hα-helixtrans-65.6-32.6173.2-49.40000111.6R229 K230R229-T233 PolarHBondContact O-N 2.98Å; R229-T233 VanDerWaalsContact O-N 3.1Å; R229-T233 PolarHBondContact O-OG1 3.5Å; K230-T233 PolarHBondContact O-N 2.93Å
234C56.9Low61.2Low96 Ų9690.8 Ų90.865%0.64947%0.466SS*.Hα-helixtrans-86.2-22.1-179.6-64.50000114.7K230 I231 R232K230-C234 PolarHBondContact O-N 2.88Å; K230-C234 PolarHBondContact O-SG 2.73Å; I231-C234 CarbonylContact O-C 3.6Å; I231-C234 PolarHBondContact O-N 2.9Å; I231-C234 VanDerWaalsContact O-N 3.14Å; R232-C234 VanDerWaalsContact C-N 3.26Å; R232-C234 PolarHBondContact O-N 3.07Å
235T56Low60.7Low52 Ų5292.9 Ų92.932%0.31948%0.483SS..  trans-127.6104.4-17747.50000111.3I231 I237I231-T235 PolarHBondContact O-N 2.94Å; I231-T235 PolarHBondContact O-OG1 3.24Å; T235-I237 VanDerWaalsContact C-N 3.27Å; T235-I237 HydrophobicContact CG2-CD1 4.4Å; T235-I237 PolarHBondContact O-N 3.39Å
236S51.7Low60.4Low125 Ų12593.2 Ų93.287%0.87449%0.486SS*.  trans-67.481168.6171.30000110
237I54.6Low60.2Low79 Ų7993.7 Ų93.741%0.40549%0.486SS..  trans-125.4101.5178.6-58.7175.5000109.8T235 E239 K240T235-I237 VanDerWaalsContact C-N 3.27Å; T235-I237 HydrophobicContact CG2-CD1 4.4Å; T235-I237 PolarHBondContact O-N 3.39Å; I237-E239 PolarHBondContact O-N 2.92Å; I237-K240 HydrophobicContact CG2-CB 4.4Å; I237-K240 HydrophobicContact CG2-CD 4.43Å; I237-K240 HydrophobicContact CG2-CG 4.34Å
238M51.5Low60.2Low171 Ų17195.7 Ų95.784%0.84250%0.495SS*.SBendtrans-71.4-17.6-179.5-84164.449.100114.9
239E50.4Low60.5Low185 Ų185100.2 Ų100.286%0.86451%0.509SS*.SBendtrans-91-25.4-174.6-98.9-169146.100115.5I237 D241I237-E239 PolarHBondContact O-N 2.92Å; E239-D241 VanDerWaalsContact C-N 3.29Å; E239-D241 PolarHBondContact O-N 2.92Å
240K51.9Low60.5Low151 Ų15194.5 Ų94.566%0.65749%0.489SS*.SBendtrans-82.6-5178.8-74.7176.2-178.8161.40113.4I237 L242 Y244I237-K240 HydrophobicContact CG2-CB 4.4Å; I237-K240 HydrophobicContact CG2-CD 4.43Å; I237-K240 HydrophobicContact CG2-CG 4.34Å; K240-L242 PolarHBondContact O-N 2.87Å; K240-Y244 VanDerWaalsContact O-CB 3.25Å; K240-Y244 WeakPolarHBondContact O-CB 3.24Å; K240-Y244 PolarHBondContact O-N 3.01Å; K240-Y244 VanDerWaalsContact O-N 3.14Å
241D56.2Low60.8Low47 Ų4789.7 Ų89.725%0.25147%0.47SS..Hα-helixtrans-68.4-33.3-170.3-105.9-11.2000114R232 E239 S245R232-D241 IonicContact CZ-OD1 3.94Å; R232-D241 IonicContact CZ-OD2 3.42Å; R232-D241 IonicContact NE-OD1 2.82Å; R232-D241 PolarHBondContact NE-OD1 3.49Å; R232-D241 VanDerWaalsContact NE-OD1 3.11Å; R232-D241 IonicContact NE-OD2 2.96Å; R232-D241 VanDerWaalsContact NH2-CG 3.28Å; R232-D241 IonicContact NH2-OD1 3.43Å; R232-D241 PolarHBondContact NH2-OD1 3.5Å; R232-D241 VanDerWaalsContact NH2-OD1 3.15Å; R232-D241 IonicContact NH2-OD2 3.15Å; R232-D241 PolarHBondContact NH2-OD2 3.25Å; E239-D241 VanDerWaalsContact C-N 3.29Å; E239-D241 PolarHBondContact O-N 2.92Å; D241-S245 VanDerWaalsContact O-CB 3.22Å; D241-S245 WeakPolarHBondContact O-CB 3.46Å; D241-S245 PolarHBondContact O-N 3.25Å
242L56.1Low61.4Low136 Ų13690.2 Ų90.271%0.71247%0.473SS*.Hα-helixtrans-73.9-40.6-177.8-70.5172.6000113.2K240 S246K240-L242 PolarHBondContact O-N 2.87Å; L242-S246 WeakPolarHBondContact O-CB 3.27Å; L242-S246 PolarHBondContact O-N 3.26Å; L242-S246 PolarHBondContact O-OG 3.29Å
243T58.4Low62.2Low92 Ų9286.2 Ų86.256%0.56446%0.463SS*.Hα-helixtrans-71.5-36.9175.1-55.80000110.2S246 V247T243-S246 PolarHBondContact O-N 3.45Å; T243-V247 WeakPolarHBondContact O-CG2 3.29Å; T243-V247 PolarHBondContact O-N 3.01Å; T243-V247 VanDerWaalsContact O-N 3.08Å
244Y61.7Low63Low38 Ų3881.7 Ų81.715%0.14943%0.434CS..Hα-helixtrans-61.2-53.8172.7165.3-111.1000113.1L228 K240 S246 V247 K248L228-Y244 HydrophobicContact CB-CE2 3.69Å; L228-Y244 HydrophobicContact CD1-CD2 4.26Å; L228-Y244 HydrophobicContact CD1-CE2 3.83Å; L228-Y244 HydrophobicContact CD2-CD2 4.29Å; L228-Y244 HydrophobicContact CD2-CE2 4.17Å; L228-Y244 HydrophobicContact CG-CE2 4.12Å; K240-Y244 VanDerWaalsContact O-CB 3.25Å; K240-Y244 WeakPolarHBondContact O-CB 3.24Å; K240-Y244 PolarHBondContact O-N 3.01Å; K240-Y244 VanDerWaalsContact O-N 3.14Å; Y244-S246 PolarHBondContact O-N 3.36Å; Y244-V247 PolarHBondContact O-N 2.75Å; Y244-V247 VanDerWaalsContact O-N 3.17Å; Y244-K248 HydrophobicContact CE1-CD 4.4Å; Y244-K248 HydrophobicContact CE2-CB 4.46Å; Y244-K248 HydrophobicContact CE2-CD 4.42Å; Y244-K248 WeakPolarHBondContact O-CB 3.27Å; Y244-K248 PolarHBondContact O-N 2.95Å
245S63.7Low64.1Low62 Ų6277.6 Ų77.643%0.43441%0.405SS..Hα-helixtrans-58.4-37.9179.3178.70000111.4D241 R249D241-S245 VanDerWaalsContact O-CB 3.22Å; D241-S245 WeakPolarHBondContact O-CB 3.46Å; D241-S245 PolarHBondContact O-N 3.25Å; S245-R249 WeakPolarHBondContact O-CB 3.45Å; S245-R249 PolarHBondContact O-N 3.1Å
246S66.1Low65.4Low18 Ų1879.3 Ų79.313%0.12641%0.411CS..Hα-helixtrans-65.5-46.1176.3-56.80000112.6L242 T243 Y244 H250 K314L242-S246 WeakPolarHBondContact O-CB 3.27Å; L242-S246 PolarHBondContact O-N 3.26Å; L242-S246 PolarHBondContact O-OG 3.29Å; T243-S246 PolarHBondContact O-N 3.45Å; Y244-S246 PolarHBondContact O-N 3.36Å; S246-H250 WeakPolarHBondContact O-CB 3.25Å; S246-H250 PolarHBondContact O-N 3.24Å; S246-K314 WeakPolarHBondContact OG-CE 3.36Å; S246-K314 PolarHBondContact OG-NZ 3.36Å
247V68.1Low66.9Low64 Ų6475.1 Ų75.139%0.38838%0.379SS..Hα-helixtrans-69.1-41.6179.5173.70000111.4F224 T243 Y244 H250 L251F224-V247 HydrophobicContact CE1-CG1 4.44Å; F224-V247 HydrophobicContact CZ-CG1 4.13Å; T243-V247 WeakPolarHBondContact O-CG2 3.29Å; T243-V247 PolarHBondContact O-N 3.01Å; T243-V247 VanDerWaalsContact O-N 3.08Å; Y244-V247 PolarHBondContact O-N 2.75Å; Y244-V247 VanDerWaalsContact O-N 3.17Å; V247-H250 WeakPolarHBondContact O-CB 3.47Å; V247-H250 PolarHBondContact O-N 3.1Å; V247-L251 HydrophobicContact CG1-CD1 4.08Å; V247-L251 WeakPolarHBondContact O-CG 3.35Å; V247-L251 PolarHBondContact O-N 3.35Å
248K68.4Low68.3Low59 Ų5971.4 Ų71.426%0.25736%0.36SS..Hα-helixtrans-61.4-47.2174.7179.8-177.6174.2-174.30111.1Y244 H250 L251 L252Y244-K248 HydrophobicContact CE1-CD 4.4Å; Y244-K248 HydrophobicContact CE2-CB 4.46Å; Y244-K248 HydrophobicContact CE2-CD 4.42Å; Y244-K248 WeakPolarHBondContact O-CB 3.27Å; Y244-K248 PolarHBondContact O-N 2.95Å; K248-H250 VanDerWaalsContact C-N 3.3Å; K248-H250 PolarHBondContact O-N 2.89Å; K248-L251 PolarHBondContact O-N 3.3Å; K248-L252 VanDerWaalsContact O-CB 3.25Å; K248-L252 WeakPolarHBondContact O-CB 3.39Å; K248-L252 PolarHBondContact O-N 3.29Å
249R72.1Confident70Confident125 Ų12566.2 Ų66.247%0.47234%0.335SS..Hα-helixtrans-59.7-42.3175.8-174.5176.468.9-153.23.5111.2S245 L252 V253 L312S245-R249 WeakPolarHBondContact O-CB 3.45Å; S245-R249 PolarHBondContact O-N 3.1Å; R249-L252 PolarHBondContact O-N 3.29Å; R249-V253 VanDerWaalsContact O-CG2 3.3Å; R249-V253 WeakPolarHBondContact O-CG2 2.95Å; R249-V253 PolarHBondContact O-N 2.94Å; R249-L312 HydrophobicContact CG-CD2 3.95Å; R249-L312 VanDerWaalsContact NE-CD2 3.26Å
250H70.4Confident71.8Confident33 Ų3361.1 Ų61.115%0.15332%0.316CS..Hα-helixtrans-58.5-53.2176.8-166.6133.9000111.7S246 V247 K248 L252 V253 I254 L312S246-H250 WeakPolarHBondContact O-CB 3.25Å; S246-H250 PolarHBondContact O-N 3.24Å; V247-H250 WeakPolarHBondContact O-CB 3.47Å; V247-H250 PolarHBondContact O-N 3.1Å; K248-H250 VanDerWaalsContact C-N 3.3Å; K248-H250 PolarHBondContact O-N 2.89Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 3.11Å; H250-V253 PolarHBondContact O-N 3.33Å; H250-I254 WeakPolarHBondContact CD2-CD1 3.47Å; H250-I254 WeakPolarHBondContact NE2-CD1 3.41Å; H250-I254 WeakPolarHBondContact O-CG1 3.43Å; H250-I254 PolarHBondContact O-N 3.44Å; H250-I254 VanDerWaalsContact O-N 3.08Å; H250-L312 HydrophobicContact CB-CB 3.97Å; H250-L312 HydrophobicContact CB-CD1 4.24Å; H250-L312 VanDerWaalsContact ND1-CB 3.3Å; H250-L312 WeakPolarHBondContact ND1-CB 3.2Å; H250-L312 PolarHBondContact ND1-O 3.46Å
251L73.3Confident73.5Confident37 Ų3754.3 Ų54.319%0.19429%0.288CS..Hα-helixtrans-65.5-37-179.5-68.6170.3000112.3Y221 F224 V247 K248 I254 Q255Y221-L251 HydrophobicContact CD2-CB 3.7Å; Y221-L251 HydrophobicContact CD2-CD1 4.45Å; Y221-L251 HydrophobicContact CE2-CB 3.39Å; F224-L251 HydrophobicContact CD1-CD1 3.54Å; F224-L251 HydrophobicContact CE1-CD1 3.17Å; F224-L251 HydrophobicContact CE2-CD1 4.4Å; F224-L251 HydrophobicContact CG-CD1 4.29Å; F224-L251 HydrophobicContact CZ-CD1 3.69Å; V247-L251 HydrophobicContact CG1-CD1 4.08Å; V247-L251 WeakPolarHBondContact O-CG 3.35Å; V247-L251 PolarHBondContact O-N 3.35Å; K248-L251 PolarHBondContact O-N 3.3Å; L251-I254 PolarHBondContact O-N 2.88Å; L251-Q255 VanDerWaalsContact O-CB 3.31Å; L251-Q255 WeakPolarHBondContact O-CB 3.4Å; L251-Q255 PolarHBondContact O-N 3.37Å
252L77.2Confident74.9Confident69 Ų6952.3 Ų52.336%0.36128%0.277SS..Hα-helixtrans-62.7-45.4176.5-169.3151.3000111.6Y221 K248 R249 H250 Q255 I256Y221-L252 WeakPolarHBondContact OH-CA 3.41Å; Y221-L252 VanDerWaalsContact OH-CB 3.24Å; Y221-L252 WeakPolarHBondContact OH-CB 3.24Å; K248-L252 VanDerWaalsContact O-CB 3.25Å; K248-L252 WeakPolarHBondContact O-CB 3.39Å; K248-L252 PolarHBondContact O-N 3.29Å; R249-L252 PolarHBondContact O-N 3.29Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 3.11Å; L252-Q255 PolarHBondContact O-N 2.98Å; L252-I256 HydrophobicContact CD2-CD1 3.41Å; L252-I256 VanDerWaalsContact CD2-CD1 3.41Å; L252-I256 HydrophobicContact CD2-CG1 4.11Å; L252-I256 HydrophobicContact CG-CD1 4.48Å; L252-I256 WeakPolarHBondContact O-CG1 3.37Å; L252-I256 PolarHBondContact O-N 3.41Å
253V79.3Confident76.4Confident46 Ų4648.5 Ų48.528%0.27926%0.257SS..Hα-helixtrans-63.3-46.5177.4170.70000110.8R249 H250 Q255 I256 L257 I308 L312R249-V253 VanDerWaalsContact O-CG2 3.3Å; R249-V253 WeakPolarHBondContact O-CG2 2.95Å; R249-V253 PolarHBondContact O-N 2.94Å; H250-V253 PolarHBondContact O-N 3.33Å; V253-Q255 VanDerWaalsContact C-N 3.25Å; V253-Q255 PolarHBondContact O-N 2.95Å; V253-I256 PolarHBondContact O-N 2.74Å; V253-L257 HydrophobicContact CG1-CD1 3.92Å; V253-L257 WeakPolarHBondContact O-CG 3.31Å; V253-L257 PolarHBondContact O-N 3.18Å; V253-I308 HydrophobicContact CG1-CD1 4.5Å; V253-I308 HydrophobicContact CG1-CG1 4.2Å; V253-L312 HydrophobicContact CB-CD1 3.77Å; V253-L312 HydrophobicContact CG1-CD1 3.99Å; V253-L312 HydrophobicContact CG2-CD1 3.96Å
254I78.8Confident77.9Confident31 Ų3146.2 Ų46.216%0.15924%0.243CC..Hα-helixtrans-58.3-40.7175.4-69.4-178.1000111H250 L251 L257 L258 I308H250-I254 WeakPolarHBondContact CD2-CD1 3.47Å; H250-I254 WeakPolarHBondContact NE2-CD1 3.41Å; H250-I254 WeakPolarHBondContact O-CG1 3.43Å; H250-I254 PolarHBondContact O-N 3.44Å; H250-I254 VanDerWaalsContact O-N 3.08Å; L251-I254 PolarHBondContact O-N 2.88Å; I254-L257 PolarHBondContact O-N 2.8Å; I254-L258 HydrophobicContact CG2-CD1 4.12Å; I254-L258 HydrophobicContact CG2-CG 4.47Å; I254-L258 WeakPolarHBondContact O-CB 3.39Å; I254-L258 WeakPolarHBondContact O-CG 3.38Å; I254-L258 PolarHBondContact O-N 2.88Å; I254-I308 HydrophobicContact CD1-CG2 4.45Å; I254-I308 HydrophobicContact CG1-CD1 4.12Å; I254-I308 HydrophobicContact CG1-CG2 4.05Å
255Q79.6Confident79.2Confident10 Ų1044.9 Ų44.95%0.04724%0.238CC..Hα-helixtrans-67.4-43.9179.8-171.961.84700112.2L218 Y221 L251 L252 V253 L257 L258 I259L218-Q255 HydrophobicContact CD1-CG 4.28Å; Y221-Q255 HydrophobicContact CD1-CB 4.13Å; Y221-Q255 HydrophobicContact CD1-CG 3.77Å; Y221-Q255 HydrophobicContact CE1-CB 4.14Å; Y221-Q255 HydrophobicContact CE1-CG 4.04Å; Y221-Q255 HydrophobicContact CG-CG 4.42Å; L251-Q255 VanDerWaalsContact O-CB 3.31Å; L251-Q255 WeakPolarHBondContact O-CB 3.4Å; L251-Q255 PolarHBondContact O-N 3.37Å; L252-Q255 PolarHBondContact O-N 2.98Å; V253-Q255 VanDerWaalsContact C-N 3.25Å; V253-Q255 PolarHBondContact O-N 2.95Å; Q255-L257 VanDerWaalsContact C-N 3.32Å; Q255-L257 PolarHBondContact O-N 2.95Å; Q255-L258 WeakPolarHBondContact O-CB 3.43Å; Q255-L258 PolarHBondContact O-N 3.46Å; Q255-I259 HydrophobicContact CG-CD1 3.97Å; Q255-I259 VanDerWaalsContact O-CG1 3.3Å; Q255-I259 WeakPolarHBondContact O-CG1 3.33Å; Q255-I259 PolarHBondContact O-N 3.25Å
256I83.6Confident80.3Confident87 Ų8742.5 Ų42.545%0.44622%0.221SC..Hα-helixtrans-61-44.8175.7-71.6179.1000109.9L252 V253 L258 I259 V260L252-I256 HydrophobicContact CD2-CD1 3.41Å; L252-I256 VanDerWaalsContact CD2-CD1 3.41Å; L252-I256 HydrophobicContact CD2-CG1 4.11Å; L252-I256 HydrophobicContact CG-CD1 4.48Å; L252-I256 WeakPolarHBondContact O-CG1 3.37Å; L252-I256 PolarHBondContact O-N 3.41Å; V253-I256 PolarHBondContact O-N 2.74Å; I256-L258 PolarHBondContact O-N 3.47Å; I256-I259 PolarHBondContact O-N 3.36Å; I256-V260 HydrophobicContact CG2-CG2 4.11Å; I256-V260 WeakPolarHBondContact O-CB 3.15Å; I256-V260 WeakPolarHBondContact O-CG2 3.47Å; I256-V260 PolarHBondContact O-N 3.02Å
257L84.4Confident81.4Confident37 Ų3746.1 Ų46.119%0.19424%0.238CC..Hα-helixtrans-67.2-35.7178.3-68.5170.6000112.2V253 I254 Q255 C261 I308V253-L257 HydrophobicContact CG1-CD1 3.92Å; V253-L257 WeakPolarHBondContact O-CG 3.31Å; V253-L257 PolarHBondContact O-N 3.18Å; I254-L257 PolarHBondContact O-N 2.8Å; Q255-L257 VanDerWaalsContact C-N 3.32Å; Q255-L257 PolarHBondContact O-N 2.95Å; L257-C261 WeakPolarHBondContact O-CB 3.35Å; L257-C261 PolarHBondContact O-N 3.26Å; L257-C261 PolarHBondContact O-SG 2.78Å; L257-C261 VanDerWaalsContact O-SG 3.39Å; L257-I308 HydrophobicContact CD1-CD1 3.34Å; L257-I308 HydrophobicContact CD1-CG1 3.88Å
258L82.4Confident82.5Confident1 Ų144.7 Ų44.71%0.00523%0.227CC..Hα-helixtrans-59-48.5169.4-83.8169.8000111.1L107 L110 F214 V217 I254 Q255 I256 F262 L263 R301L107-L258 HydrophobicContact CD2-CD2 4.31Å; L110-L258 HydrophobicContact CD1-CD2 4.28Å; F214-L258 HydrophobicContact CD2-CB 4.34Å; F214-L258 HydrophobicContact CE2-CB 3.92Å; V217-L258 HydrophobicContact CB-CD1 4.36Å; V217-L258 HydrophobicContact CG1-CD1 3.48Å; V217-L258 VanDerWaalsContact CG1-CD1 3.48Å; I254-L258 HydrophobicContact CG2-CD1 4.12Å; I254-L258 HydrophobicContact CG2-CG 4.47Å; I254-L258 WeakPolarHBondContact O-CB 3.39Å; I254-L258 WeakPolarHBondContact O-CG 3.38Å; I254-L258 PolarHBondContact O-N 2.88Å; Q255-L258 WeakPolarHBondContact O-CB 3.43Å; Q255-L258 PolarHBondContact O-N 3.46Å; I256-L258 PolarHBondContact O-N 3.47Å; L258-F262 HydrophobicContact CD2-CD2 4.12Å; L258-F262 WeakPolarHBondContact O-CA 3.48Å; L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.42Å; L258-F262 PolarHBondContact O-N 3.48Å; L258-L263 PolarHBondContact O-N 2.6Å; L258-R301 VanDerWaalsContact CA-NH1 3.34Å; L258-R301 VanDerWaalsContact CD2-CZ 3.42Å
259I87.1Confident83.3Confident63 Ų6342.7 Ų42.732%0.32322%0.218SC..Hα-helixtrans-64.3-55.2-178.8-69.3161.1000109.9F214 L218 Q255 I256 C261 L263 P264F214-I259 HydrophobicContact CE2-CG1 4.22Å; F214-I259 HydrophobicContact CZ-CG1 3.76Å; L218-I259 HydrophobicContact CD1-CD1 4.34Å; Q255-I259 HydrophobicContact CG-CD1 3.97Å; Q255-I259 VanDerWaalsContact O-CG1 3.3Å; Q255-I259 WeakPolarHBondContact O-CG1 3.33Å; Q255-I259 PolarHBondContact O-N 3.25Å; I256-I259 PolarHBondContact O-N 3.36Å; I259-C261 PolarHBondContact O-N 2.75Å; I259-L263 HydrophobicContact CG2-CD2 4.08Å; I259-L263 WeakPolarHBondContact O-CB 3.43Å; I259-L263 PolarHBondContact O-N 3.01Å; I259-P264 WeakPolarHBondContact O-CD 3.47Å
260V88.7Confident84Confident78 Ų7838.4 Ų38.447%0.47321%0.207SC..Hα-helixtrans-65.2-40.1-175174.60000111.5I256 P264 L297I256-V260 HydrophobicContact CG2-CG2 4.11Å; I256-V260 WeakPolarHBondContact O-CB 3.15Å; I256-V260 WeakPolarHBondContact O-CG2 3.47Å; I256-V260 PolarHBondContact O-N 3.02Å; V260-P264 WeakPolarHBondContact O-CD 3.33Å; V260-P264 WeakPolarHBondContact O-CG 3.02Å; V260-L297 WeakPolarHBondContact O-CD2 3.36Å
261C88.5Confident84.9Confident8 Ų840.4 Ų40.45%0.05422%0.218CC..Hα-helixtrans-88-39.9-173.9-59.90000114.1L257 I259 L297 A298 R301L257-C261 WeakPolarHBondContact O-CB 3.35Å; L257-C261 PolarHBondContact O-N 3.26Å; L257-C261 PolarHBondContact O-SG 2.78Å; L257-C261 VanDerWaalsContact O-SG 3.39Å; I259-C261 PolarHBondContact O-N 2.75Å; C261-L297 WeakPolarHBondContact CB-O 3.46Å; C261-A298 WeakPolarHBondContact O-CA 3.33Å; C261-A298 PolarHBondContact O-N 3.13Å; C261-R301 HydrophobicContact CB-CB 3.92Å
262F85Confident85.6Confident5 Ų538.7 Ų38.72%0.02221%0.209CC..Hα-helixtrans-103.4-30.5-171-92.3-65.8000114.4M103 L107 L258 Y265 S266 A298 R301M103-F262 HydrophobicContact CG-CE1 4.13Å; M103-F262 HydrophobicContact CG-CZ 4.27Å; M103-F262 HydrophobicContact SD-CE1 4.27Å; L107-F262 HydrophobicContact CD1-CD1 4.45Å; L107-F262 HydrophobicContact CD1-CE1 4.09Å; L107-F262 HydrophobicContact CD1-CZ 4.29Å; L107-F262 HydrophobicContact CD2-CD2 4.11Å; L107-F262 HydrophobicContact CD2-CE2 3.99Å; L107-F262 HydrophobicContact CD2-CG 4.4Å; L107-F262 HydrophobicContact CD2-CZ 4.27Å; L107-F262 HydrophobicContact CG-CE1 4.46Å; L107-F262 HydrophobicContact CG-CE2 4.35Å; L107-F262 HydrophobicContact CG-CZ 4.18Å; L258-F262 HydrophobicContact CD2-CD2 4.12Å; L258-F262 WeakPolarHBondContact O-CA 3.48Å; L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.42Å; L258-F262 PolarHBondContact O-N 3.48Å; F262-Y265 PolarHBondContact O-N 2.02Å; F262-S266 WeakPolarHBondContact O-CB 3.46Å; F262-S266 PolarHBondContact O-N 3.27Å; F262-S266 PolarHBondContact O-OG 3.48Å; F262-A298 HydrophobicContact CD1-CB 3.92Å; F262-A298 HydrophobicContact CE1-CB 3.97Å; F262-R301 HydrophobicContact CE2-CB 4.46Å; F262-R301 HydrophobicContact CE2-CG 4.42Å
263L87Confident85.9Confident56 Ų5637.3 Ų37.329%0.29320%0.199SC..Hα-helixtrans-64.2-46.2-176.9-17564000112.4F214 L258 I259 Y265 S266 I267F214-L263 HydrophobicContact CD1-CD1 4.21Å; F214-L263 HydrophobicContact CE1-CD1 3.68Å; F214-L263 HydrophobicContact CE1-CG 4.48Å; F214-L263 HydrophobicContact CE2-CB 4.47Å; F214-L263 HydrophobicContact CZ-CB 4.07Å; F214-L263 HydrophobicContact CZ-CD1 4.07Å; F214-L263 HydrophobicContact CZ-CD2 4.42Å; F214-L263 HydrophobicContact CZ-CG 4.42Å; L258-L263 PolarHBondContact O-N 2.6Å; I259-L263 HydrophobicContact CG2-CD2 4.08Å; I259-L263 WeakPolarHBondContact O-CB 3.43Å; I259-L263 PolarHBondContact O-N 3.01Å; L263-Y265 VanDerWaalsContact C-N 3.32Å; L263-Y265 PolarHBondContact O-N 3.06Å; L263-S266 PolarHBondContact O-N 2.82Å; L263-I267 HydrophobicContact CD1-CD1 3.71Å; L263-I267 HydrophobicContact CD1-CG1 4.01Å; L263-I267 HydrophobicContact CD2-CD1 4.36Å; L263-I267 HydrophobicContact CG-CD1 3.7Å; L263-I267 HydrophobicContact CG-CG1 4.34Å; L263-I267 WeakPolarHBondContact O-CG1 3.49Å; L263-I267 PolarHBondContact O-N 3.02Å
264P90.6Very high86.2Confident44 Ų4440.2 Ų40.229%0.28622%0.217SC..Hα-helixtrans-56.8-45.8178-28.337.3000112.4I259 V260 S266 I267 F268 L294I259-P264 WeakPolarHBondContact O-CD 3.47Å; V260-P264 WeakPolarHBondContact O-CD 3.33Å; V260-P264 WeakPolarHBondContact O-CG 3.02Å; P264-S266 PolarHBondContact O-N 3.27Å; P264-I267 PolarHBondContact O-N 3.3Å; P264-F268 WeakPolarHBondContact O-CB 3.43Å; P264-F268 PolarHBondContact O-N 3.24Å; P264-L294 HydrophobicContact CB-CD1 4.38Å; P264-L294 HydrophobicContact CB-CD2 3.59Å
265Y88.9Confident86.4Confident10 Ų1041.9 Ų41.94%0.03923%0.226CC..Hα-helixtrans-60.6-46177173.2-100.6000112.1M103 F262 L263 I267 F268 K269 L294 T295 A298M103-Y265 HydrophobicContact SD-CE1 4.4Å; F262-Y265 PolarHBondContact O-N 2.02Å; L263-Y265 VanDerWaalsContact C-N 3.32Å; L263-Y265 PolarHBondContact O-N 3.06Å; Y265-I267 VanDerWaalsContact C-N 3.32Å; Y265-I267 PolarHBondContact O-N 2.84Å; Y265-F268 PolarHBondContact O-N 2.99Å; Y265-K269 HydrophobicContact CE2-CD 4.44Å; Y265-K269 WeakPolarHBondContact O-CB 3.28Å; Y265-K269 PolarHBondContact O-N 2.85Å; Y265-K269 VanDerWaalsContact O-N 3.1Å; Y265-K269 PolarHBondContact OH-NZ 3.29Å; Y265-L294 HydrophobicContact CD2-CB 4.46Å; Y265-T295 HydrophobicContact CE2-CG2 4.44Å; Y265-T295 VanDerWaalsContact CE2-OG1 3.31Å; Y265-T295 WeakPolarHBondContact CE2-OG1 3.22Å; Y265-A298 HydrophobicContact CD1-CB 4.49Å; Y265-A298 HydrophobicContact CG-CB 4.19Å
266S86.8Confident86.4Confident11 Ų1142.2 Ų42.28%0.07723%0.227CC..Hα-helixtrans-66.1-33.7-176.5-54.40000112.7F262 L263 P264 P270F262-S266 WeakPolarHBondContact O-CB 3.46Å; F262-S266 PolarHBondContact O-N 3.27Å; F262-S266 PolarHBondContact O-OG 3.48Å; L263-S266 PolarHBondContact O-N 2.82Å; P264-S266 PolarHBondContact O-N 3.27Å; S266-P270 WeakPolarHBondContact O-CD 3.48Å
267I88.8Confident85.7Confident95 Ų9545.1 Ų45.149%0.48724%0.239SC..Hα-helixtrans-79.2-43.7176.8-65.8173.4000111L263 P264 Y265 P270 I271L263-I267 HydrophobicContact CD1-CD1 3.71Å; L263-I267 HydrophobicContact CD1-CG1 4.01Å; L263-I267 HydrophobicContact CD2-CD1 4.36Å; L263-I267 HydrophobicContact CG-CD1 3.7Å; L263-I267 HydrophobicContact CG-CG1 4.34Å; L263-I267 WeakPolarHBondContact O-CG1 3.49Å; L263-I267 PolarHBondContact O-N 3.02Å; P264-I267 PolarHBondContact O-N 3.3Å; Y265-I267 VanDerWaalsContact C-N 3.32Å; Y265-I267 PolarHBondContact O-N 2.84Å; I267-P270 WeakPolarHBondContact O-CD 3.48Å; I267-I271 HydrophobicContact CG2-CD1 3.89Å; I267-I271 WeakPolarHBondContact O-CD1 3.26Å; I267-I271 WeakPolarHBondContact O-CG1 3.29Å
268F90.8Very high84.9Confident34 Ų3451.7 Ų51.715%0.14926%0.261CS..Hα-helixtrans-73.5-34.2-171.4-174.5-99.5000112.9P264 Y265 I271 F272 L287 T290 K291 L294P264-F268 WeakPolarHBondContact O-CB 3.43Å; P264-F268 PolarHBondContact O-N 3.24Å; Y265-F268 PolarHBondContact O-N 2.99Å; F268-I271 CarbonylContact O-C 3.57Å; F268-I271 WeakPolarHBondContact O-CA 3.36Å; F268-I271 WeakPolarHBondContact O-CB 3.37Å; F268-I271 PolarHBondContact O-N 3.45Å; F268-I271 VanDerWaalsContact O-N 3.14Å; F268-F272 HydrophobicContact CD1-CB 4.37Å; F268-F272 HydrophobicContact CE1-CB 4.12Å; F268-F272 HydrophobicContact CE1-CD2 4.38Å; F268-F272 WeakPolarHBondContact O-CB 3.46Å; F268-F272 PolarHBondContact O-N 3.01Å; F268-L287 HydrophobicContact CE2-CD2 4.25Å; F268-L287 HydrophobicContact CZ-CD2 3.76Å; F268-T290 HydrophobicContact CD1-CG2 4.16Å; F268-T290 HydrophobicContact CD2-CG2 4.07Å; F268-T290 HydrophobicContact CE1-CG2 3.71Å; F268-T290 HydrophobicContact CE2-CG2 3.61Å; F268-T290 HydrophobicContact CG-CG2 4.32Å; F268-T290 HydrophobicContact CZ-CG2 3.41Å; F268-T290 VanDerWaalsContact CZ-CG2 3.41Å; F268-K291 HydrophobicContact CD1-CB 4.42Å; F268-K291 HydrophobicContact CE1-CB 4.03Å; F268-L294 HydrophobicContact CB-CD1 3.29Å; F268-L294 HydrophobicContact CD1-CD1 3.71Å; F268-L294 HydrophobicContact CD2-CD1 4.23Å; F268-L294 HydrophobicContact CG-CD1 3.47Å; F268-L294 VanDerWaalsContact CG-CD1 3.47Å
269K86.8Confident84.1Confident16 Ų1659 Ų597%0.0730%0.3CS..Hα-helixtrans-66.7-39.8-174-163.1-152.4-172.3174.80113.9T207 Y265 I271 F272 Y273T207-K269 HydrophobicContact CG2-CB 4.19Å; T207-K269 HydrophobicContact CG2-CD 3.99Å; T207-K269 WeakPolarHBondContact OG1-CD 3.34Å; T207-K269 PolarHBondContact OG1-NZ 2.91Å; Y265-K269 HydrophobicContact CE2-CD 4.44Å; Y265-K269 WeakPolarHBondContact O-CB 3.28Å; Y265-K269 PolarHBondContact O-N 2.85Å; Y265-K269 VanDerWaalsContact O-N 3.1Å; Y265-K269 PolarHBondContact OH-NZ 3.29Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-F272 WeakPolarHBondContact O-CB 3.21Å; K269-F272 PolarHBondContact O-N 2.87Å; K269-Y273 HydrophobicContact CD-CE2 4.06Å; K269-Y273 WeakPolarHBondContact CE-OH 3.34Å; K269-Y273 HydrophobicContact CG-CE2 3.98Å; K269-Y273 WeakPolarHBondContact O-CD2 3.33Å; K269-Y273 PolarHBondContact O-N 3.13Å
270P86.9Confident83.9Confident36 Ų3659.5 Ų59.523%0.23430%0.304CS..Hα-helixtrans-60.6-41.3168.2-24.935.1000112.9L204 T207 S266 I267 F272 Y273 V274L204-P270 HydrophobicContact CD1-CB 3.96Å; L204-P270 HydrophobicContact CD1-CG 4.33Å; T207-P270 HydrophobicContact CG2-CG 4.18Å; S266-P270 WeakPolarHBondContact O-CD 3.48Å; I267-P270 WeakPolarHBondContact O-CD 3.48Å; P270-F272 VanDerWaalsContact C-N 3.3Å; P270-F272 PolarHBondContact O-N 3.4Å; P270-Y273 PolarHBondContact O-N 2.93Å; P270-V274 PolarHBondContact O-N 3.45Å
271I87.8Confident83.7Confident74 Ų7458.3 Ų58.338%0.37930%0.298SS..Hα-helixtrans-60.7-42.4176.3-64.5170.5000110.3I267 F268 K269 Y273 V274 L275I267-I271 HydrophobicContact CG2-CD1 3.89Å; I267-I271 WeakPolarHBondContact O-CD1 3.26Å; I267-I271 WeakPolarHBondContact O-CG1 3.29Å; F268-I271 CarbonylContact O-C 3.57Å; F268-I271 WeakPolarHBondContact O-CA 3.36Å; F268-I271 WeakPolarHBondContact O-CB 3.37Å; F268-I271 PolarHBondContact O-N 3.45Å; F268-I271 VanDerWaalsContact O-N 3.14Å; K269-I271 VanDerWaalsContact C-N 3.34Å; I271-Y273 PolarHBondContact O-N 3.41Å; I271-V274 PolarHBondContact O-N 3.09Å; I271-L275 HydrophobicContact CG2-CD1 3.42Å; I271-L275 VanDerWaalsContact CG2-CD1 3.42Å; I271-L275 HydrophobicContact CG2-CG 3.93Å; I271-L275 WeakPolarHBondContact O-CB 3.47Å; I271-L275 WeakPolarHBondContact O-CG 3.44Å; I271-L275 PolarHBondContact O-N 3.01Å
272F87.9Confident83.5Confident1 Ų165.5 Ų65.50%0.00433%0.331CS..Hα-helixtrans-57.1-47176.2172.2-95.3000111.9L194 F268 K269 P270 V274 L275 H276 L287 I288 K291L194-F272 HydrophobicContact CD2-CE1 3.5Å; L194-F272 VanDerWaalsContact CD2-CE1 3.5Å; L194-F272 HydrophobicContact CD2-CE2 4.33Å; L194-F272 HydrophobicContact CD2-CZ 3.32Å; L194-F272 HydrophobicContact CG-CE1 4.4Å; L194-F272 HydrophobicContact CG-CZ 4.04Å; F268-F272 HydrophobicContact CD1-CB 4.37Å; F268-F272 HydrophobicContact CE1-CB 4.12Å; F268-F272 HydrophobicContact CE1-CD2 4.38Å; F268-F272 WeakPolarHBondContact O-CB 3.46Å; F268-F272 PolarHBondContact O-N 3.01Å; K269-F272 WeakPolarHBondContact O-CB 3.21Å; K269-F272 PolarHBondContact O-N 2.87Å; P270-F272 VanDerWaalsContact C-N 3.3Å; P270-F272 PolarHBondContact O-N 3.4Å; F272-V274 VanDerWaalsContact C-N 3.29Å; F272-V274 PolarHBondContact O-N 3.16Å; F272-L275 PolarHBondContact O-N 2.71Å; F272-H276 VanDerWaalsContact O-CB 3.25Å; F272-H276 WeakPolarHBondContact O-CB 3.28Å; F272-H276 PolarHBondContact O-N 3.47Å; F272-L287 HydrophobicContact CD2-CB 3.88Å; F272-L287 HydrophobicContact CE2-CB 4.02Å; F272-I288 HydrophobicContact CE2-CG1 3.94Å; F272-I288 HydrophobicContact CZ-CG1 4.15Å; F272-K291 HydrophobicContact CD1-CD 4.06Å; F272-K291 HydrophobicContact CD2-CB 4.3Å; F272-K291 HydrophobicContact CD2-CD 4.4Å; F272-K291 HydrophobicContact CE1-CD 3.8Å; F272-K291 HydrophobicContact CE2-CB 4.45Å; F272-K291 HydrophobicContact CE2-CD 4.2Å; F272-K291 HydrophobicContact CG-CD 4.35Å; F272-K291 HydrophobicContact CZ-CD 3.88Å
273Y84.8Confident83.6Confident40 Ų4068.3 Ų68.316%0.15734%0.344CS..Hα-helixtrans-62.7-34.6177.8-71.3-56.7000113Q200 L204 K269 P270 I271Q200-Y273 HydrophobicContact CB-CD1 4.09Å; Q200-Y273 HydrophobicContact CB-CE1 4.01Å; Q200-Y273 HydrophobicContact CG-CD1 3.86Å; Q200-Y273 HydrophobicContact CG-CE1 3.73Å; L204-Y273 HydrophobicContact CD1-CD2 4.5Å; K269-Y273 HydrophobicContact CD-CE2 4.06Å; K269-Y273 WeakPolarHBondContact CE-OH 3.34Å; K269-Y273 HydrophobicContact CG-CE2 3.98Å; K269-Y273 WeakPolarHBondContact O-CD2 3.33Å; K269-Y273 PolarHBondContact O-N 3.13Å; P270-Y273 PolarHBondContact O-N 2.93Å; I271-Y273 PolarHBondContact O-N 3.41Å
274V85Confident83.5Confident108 Ų10865.9 Ų65.966%0.65533%0.331SS*.Hα-helixtrans-75.5-42.5177.7175.80000111.9P270 I271 F272P270-V274 PolarHBondContact O-N 3.45Å; I271-V274 PolarHBondContact O-N 3.09Å; F272-V274 VanDerWaalsContact C-N 3.29Å; F272-V274 PolarHBondContact O-N 3.16Å
275L84.2Confident83.4Confident66 Ų6665.3 Ų65.335%0.34633%0.326SS..Hα-helixtrans-83-18-173.7-65.8-176.4000113.8I271 F272 Q277 L287I271-L275 HydrophobicContact CG2-CD1 3.42Å; I271-L275 VanDerWaalsContact CG2-CD1 3.42Å; I271-L275 HydrophobicContact CG2-CG 3.93Å; I271-L275 WeakPolarHBondContact O-CB 3.47Å; I271-L275 WeakPolarHBondContact O-CG 3.44Å; I271-L275 PolarHBondContact O-N 3.01Å; F272-L275 PolarHBondContact O-N 2.71Å; L275-Q277 PolarHBondContact O-N 3.47Å; L275-L287 HydrophobicContact CB-CD1 3.88Å; L275-L287 HydrophobicContact CD1-CD2 4.4Å
276H79Confident83.4Confident17 Ų1772.1 Ų72.18%0.07935%0.352CS..THydrogen-bonded Turntrans-60.7-29.6-177.8171.159.9000113.9R190 L194 F272 R278 L284R190-H276 PolarHBondContact NE-CE1 3.41Å; R190-H276 PolarHBondContact NE-NE2 3.27Å; R190-H276 PolarHBondContact NH2-CE1 3.08Å; R190-H276 VanDerWaalsContact NH2-CE1 3.35Å; R190-H276 PolarHBondContact NH2-NE2 3.46Å; L194-H276 WeakPolarHBondContact CD1-CE1 3.49Å; L194-H276 WeakPolarHBondContact CD1-NE2 3.06Å; L194-H276 HydrophobicContact CD2-CB 3.78Å; L194-H276 WeakPolarHBondContact CD2-CD2 3.46Å; L194-H276 VanDerWaalsContact CD2-CE1 3.49Å; L194-H276 WeakPolarHBondContact CD2-CE1 3.39Å; L194-H276 WeakPolarHBondContact CD2-ND1 3.45Å; F272-H276 VanDerWaalsContact O-CB 3.25Å; F272-H276 WeakPolarHBondContact O-CB 3.28Å; F272-H276 PolarHBondContact O-N 3.47Å; H276-R278 PolarHBondContact O-N 2.92Å; H276-L284 VanDerWaalsContact CE1-CD1 3.42Å; H276-L284 WeakPolarHBondContact CE1-CD1 3.38Å; H276-L284 WeakPolarHBondContact ND1-CD1 3.37Å
277Q69.1Low83.5Confident148 Ų14872 Ų7269%0.69235%0.351SS*.THydrogen-bonded Turntrans-67.72.3-172.7-64.6-175.3-12.500114.8L275L275-Q277 PolarHBondContact O-N 3.47Å
278R66Low83.6Confident175 Ų17567.6 Ų67.666%0.6633%0.328SS*.SBendtrans-83.9131.1175.9-70-109.9-171.6173.42.3110.6H276 N280H276-R278 PolarHBondContact O-N 2.92Å; R278-N280 PolarHBondContact O-N 2.96Å
279D67.4Low83.5Confident154 Ų15467.6 Ų67.682%0.82433%0.329SS*.  trans-69.518.7179.2-63.9-41.5000115.3
280N83.2Confident83.8Confident74 Ų7468.1 Ų68.140%0.39633%0.333SS..  trans-95.4105.9179.7-173.1-9.1000111.4R278 Q282 Q283 L284R278-N280 PolarHBondContact O-N 2.96Å; N280-Q282 VanDerWaalsContact C-N 3.32Å; N280-Q282 PolarHBondContact O-N 3.4Å; N280-Q282 PolarHBondContact OD1-N 3.47Å; N280-Q282 VanDerWaalsContact OD1-N 3.15Å; N280-Q283 HydrophobicContact CB-CB 4.01Å; N280-Q283 PolarHBondContact O-N 3.37Å; N280-L284 PolarHBondContact O-N 3.04Å
281C83.5Confident84Confident52 Ų5267.8 Ų67.835%0.35133%0.328SS..Hα-helixtrans-58-36.5179.8-70.60000114.5C7 L284 N285C7-C281 HydrophobicContact CB-CB 4.14Å; C7-C281 WeakPolarHBondContact CB-SG 3.41Å; C7-C281 WeakPolarHBondContact SG-CA 3.46Å; C7-C281 WeakPolarHBondContact SG-CB 3.29Å; C7-C281 CovalentContact SG-SG 2.03Å; C7-C281 PolarHBondContact SG-SG 3.38Å; C281-L284 PolarHBondContact O-N 3.44Å; C281-N285 PolarHBondContact O-N 2.88Å; C281-N285 PolarHBondContact O-ND2 3.43Å; C281-N285 VanDerWaalsContact O-ND2 3.11Å
282Q84.4Confident84.2Confident159 Ų15964.5 Ų64.574%0.74331%0.311SS*.Hα-helixtrans-67.2-43.9178.6-68.8-177.8-2200111.2N280 L284 N285 Y286N280-Q282 VanDerWaalsContact C-N 3.32Å; N280-Q282 PolarHBondContact O-N 3.4Å; N280-Q282 PolarHBondContact OD1-N 3.47Å; N280-Q282 VanDerWaalsContact OD1-N 3.15Å; Q282-L284 VanDerWaalsContact C-N 3.31Å; Q282-L284 PolarHBondContact O-N 2.99Å; Q282-N285 PolarHBondContact O-N 3.43Å; Q282-Y286 PolarHBondContact O-N 2.8Å
283Q85.9Confident84.5Confident64 Ų6467.5 Ų67.530%0.29933%0.327SS..Hα-helixtrans-63.6-40.6176.2-173.8176.80.500110.8N280 Y286 L287N280-Q283 HydrophobicContact CB-CB 4.01Å; N280-Q283 PolarHBondContact O-N 3.37Å; Q283-Y286 PolarHBondContact O-N 3.26Å; Q283-L287 HydrophobicContact CG-CD1 4.18Å; Q283-L287 HydrophobicContact CG-CG 4.46Å; Q283-L287 WeakPolarHBondContact O-CB 3.41Å; Q283-L287 VanDerWaalsContact O-CG 3.27Å; Q283-L287 WeakPolarHBondContact O-CG 3.2Å; Q283-L287 PolarHBondContact O-N 2.57Å
284L86.7Confident84.9Confident6 Ų666.9 Ų66.93%0.03133%0.326CS..Hα-helixtrans-61.6-47.6177.7-179.753.1000112.5R190 L194 H276 N280 C281 Q282 Y286 L287 I288R190-L284 HydrophobicContact CG-CD2 4.45Å; L194-L284 HydrophobicContact CD1-CD1 4.31Å; H276-L284 VanDerWaalsContact CE1-CD1 3.42Å; H276-L284 WeakPolarHBondContact CE1-CD1 3.38Å; H276-L284 WeakPolarHBondContact ND1-CD1 3.37Å; N280-L284 PolarHBondContact O-N 3.04Å; C281-L284 PolarHBondContact O-N 3.44Å; Q282-L284 VanDerWaalsContact C-N 3.31Å; Q282-L284 PolarHBondContact O-N 2.99Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; L284-Y286 PolarHBondContact O-N 2.94Å; L284-L287 PolarHBondContact O-N 3.42Å; L284-I288 HydrophobicContact CD1-CD1 3.77Å; L284-I288 HydrophobicContact CD1-CG1 3.98Å; L284-I288 HydrophobicContact CG-CD1 3.84Å; L284-I288 HydrophobicContact CG-CG1 4.45Å; L284-I288 WeakPolarHBondContact O-CG1 3.14Å; L284-I288 PolarHBondContact O-N 3.46Å
285N87.8Confident85.2Confident31 Ų3162.7 Ų62.717%0.16630%0.301CS..Hα-helixtrans-57.3-45.9177.5-77.1-39.1000111.4C7 I8 Q9 C281 Q282 L287 I288 E289C7-N285 PolarHBondContact O-ND2 3.12Å; I8-N285 VanDerWaalsContact CA-OD1 3.29Å; I8-N285 WeakPolarHBondContact CA-OD1 3.34Å; Q9-N285 PolarHBondContact N-OD1 3Å; C281-N285 PolarHBondContact O-N 2.88Å; C281-N285 PolarHBondContact O-ND2 3.43Å; C281-N285 VanDerWaalsContact O-ND2 3.11Å; Q282-N285 PolarHBondContact O-N 3.43Å; N285-L287 PolarHBondContact O-N 2.93Å; N285-I288 PolarHBondContact O-N 3.49Å; N285-E289 VanDerWaalsContact O-CB 3.28Å; N285-E289 WeakPolarHBondContact O-CB 3.44Å; N285-E289 PolarHBondContact O-N 2.92Å
286Y88.2Confident85.7Confident153 Ų15359.8 Ų59.860%0.629%0.286SS*.Hα-helixtrans-62.1-41.4177-177.6-96.2000113Q282 Q283 L284 T290Q282-Y286 PolarHBondContact O-N 2.8Å; Q283-Y286 PolarHBondContact O-N 3.26Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; L284-Y286 PolarHBondContact O-N 2.94Å; Y286-T290 WeakPolarHBondContact O-CB 3.37Å; Y286-T290 PolarHBondContact O-N 3.1Å; Y286-T290 PolarHBondContact O-OG1 2.92Å
287L90.1Very high86.4Confident10 Ų1061.9 Ų61.95%0.05230%0.297CS..Hα-helixtrans-65.3-43.9178.2-75.9177000112F268 F272 L275 Q283 L284 N285 K291F268-L287 HydrophobicContact CE2-CD2 4.25Å; F268-L287 HydrophobicContact CZ-CD2 3.76Å; F272-L287 HydrophobicContact CD2-CB 3.88Å; F272-L287 HydrophobicContact CE2-CB 4.02Å; L275-L287 HydrophobicContact CB-CD1 3.88Å; L275-L287 HydrophobicContact CD1-CD2 4.4Å; Q283-L287 HydrophobicContact CG-CD1 4.18Å; Q283-L287 HydrophobicContact CG-CG 4.46Å; Q283-L287 WeakPolarHBondContact O-CB 3.41Å; Q283-L287 VanDerWaalsContact O-CG 3.27Å; Q283-L287 WeakPolarHBondContact O-CG 3.2Å; Q283-L287 PolarHBondContact O-N 2.57Å; L284-L287 PolarHBondContact O-N 3.42Å; N285-L287 PolarHBondContact O-N 2.93Å; L287-K291 WeakPolarHBondContact O-CB 3.43Å; L287-K291 PolarHBondContact O-N 3.49Å
288I89.4Confident87.5Confident1 Ų154.9 Ų54.91%0.00527%0.265CS..Hα-helixtrans-63.7-46.7176.9-71.5172.7000110.5I8 Y188 E193 F272 L284 N285 T290 K291 N292I8-I288 HydrophobicContact CD1-CD1 3.65Å; I8-I288 HydrophobicContact CG1-CD1 4.19Å; Y188-I288 WeakPolarHBondContact OH-CG2 3.43Å; E193-I288 HydrophobicContact CB-CD1 3.93Å; E193-I288 HydrophobicContact CB-CG1 4.15Å; E193-I288 HydrophobicContact CB-CG2 4.16Å; E193-I288 HydrophobicContact CG-CD1 4.33Å; E193-I288 HydrophobicContact CG-CG2 3.81Å; E193-I288 WeakPolarHBondContact OE2-CG2 3.28Å; F272-I288 HydrophobicContact CE2-CG1 3.94Å; F272-I288 HydrophobicContact CZ-CG1 4.15Å; L284-I288 HydrophobicContact CD1-CD1 3.77Å; L284-I288 HydrophobicContact CD1-CG1 3.98Å; L284-I288 HydrophobicContact CG-CD1 3.84Å; L284-I288 HydrophobicContact CG-CG1 4.45Å; L284-I288 WeakPolarHBondContact O-CG1 3.14Å; L284-I288 PolarHBondContact O-N 3.46Å; N285-I288 PolarHBondContact O-N 3.49Å; I288-T290 PolarHBondContact O-N 3.4Å; I288-K291 WeakPolarHBondContact O-CB 3.4Å; I288-K291 PolarHBondContact O-N 2.69Å; I288-N292 WeakPolarHBondContact O-CB 3.19Å; I288-N292 VanDerWaalsContact O-CG 3.28Å; I288-N292 PolarHBondContact O-N 3.44Å; I288-N292 PolarHBondContact O-ND2 3.2Å
289E90.3Very high88.7Confident35 Ų3546.7 Ų46.716%0.16423%0.234CC..Hα-helixtrans-59.7-48.3178.1179.5170.1-154.100111.4S11 I13 N285 K291 N292 I293S11-E289 WeakPolarHBondContact CB-OE1 3.19Å; S11-E289 VanDerWaalsContact OG-CD 3.24Å; S11-E289 PolarHBondContact OG-OE1 3.02Å; I13-E289 VanDerWaalsContact CB-OE1 3.27Å; I13-E289 WeakPolarHBondContact CB-OE1 3.38Å; I13-E289 VanDerWaalsContact CD1-OE1 3.27Å; I13-E289 WeakPolarHBondContact CD1-OE1 3.3Å; N285-E289 VanDerWaalsContact O-CB 3.28Å; N285-E289 WeakPolarHBondContact O-CB 3.44Å; N285-E289 PolarHBondContact O-N 2.92Å; E289-K291 PolarHBondContact O-N 3.23Å; E289-N292 PolarHBondContact O-N 3.29Å; E289-N292 VanDerWaalsContact O-N 3.12Å; E289-I293 HydrophobicContact CG-CD1 4Å; E289-I293 WeakPolarHBondContact O-CG1 3.22Å; E289-I293 PolarHBondContact O-N 3.34Å
290T91.5Very high89.8Confident26 Ų2640.1 Ų40.116%0.1620%0.202CC..Hα-helixtrans-59.5-45.6176.1-57.80000111.1F268 Y286 I288 N292 I293 L294F268-T290 HydrophobicContact CD1-CG2 4.16Å; F268-T290 HydrophobicContact CD2-CG2 4.07Å; F268-T290 HydrophobicContact CE1-CG2 3.71Å; F268-T290 HydrophobicContact CE2-CG2 3.61Å; F268-T290 HydrophobicContact CG-CG2 4.32Å; F268-T290 HydrophobicContact CZ-CG2 3.41Å; F268-T290 VanDerWaalsContact CZ-CG2 3.41Å; Y286-T290 WeakPolarHBondContact O-CB 3.37Å; Y286-T290 PolarHBondContact O-N 3.1Å; Y286-T290 PolarHBondContact O-OG1 2.92Å; I288-T290 PolarHBondContact O-N 3.4Å; T290-N292 VanDerWaalsContact C-N 3.28Å; T290-N292 PolarHBondContact O-N 3Å; T290-I293 PolarHBondContact O-N 3.2Å; T290-L294 HydrophobicContact CG2-CD1 4.05Å; T290-L294 HydrophobicContact CG2-CG 4.34Å; T290-L294 WeakPolarHBondContact O-CB 3.42Å; T290-L294 VanDerWaalsContact O-CG 3.25Å; T290-L294 WeakPolarHBondContact O-CG 3.35Å; T290-L294 PolarHBondContact O-N 2.81Å
291K91.5Very high90.1Very high29 Ų2936.8 Ų36.813%0.12618%0.184CC..Hα-helixtrans-55.1-45.3174.9175.7-171.965.772.60111.1E193 F268 F272 L287 I288 E289 L294 T295E193-K291 WeakPolarHBondContact O-CE 3.49Å; E193-K291 WeakPolarHBondContact OE2-CE 3.45Å; E193-K291 IonicContact OE2-NZ 2.69Å; E193-K291 PolarHBondContact OE2-NZ 2.88Å; F268-K291 HydrophobicContact CD1-CB 4.42Å; F268-K291 HydrophobicContact CE1-CB 4.03Å; F272-K291 HydrophobicContact CD1-CD 4.06Å; F272-K291 HydrophobicContact CD2-CB 4.3Å; F272-K291 HydrophobicContact CD2-CD 4.4Å; F272-K291 HydrophobicContact CE1-CD 3.8Å; F272-K291 HydrophobicContact CE2-CB 4.45Å; F272-K291 HydrophobicContact CE2-CD 4.2Å; F272-K291 HydrophobicContact CG-CD 4.35Å; F272-K291 HydrophobicContact CZ-CD 3.88Å; L287-K291 WeakPolarHBondContact O-CB 3.43Å; L287-K291 PolarHBondContact O-N 3.49Å; I288-K291 WeakPolarHBondContact O-CB 3.4Å; I288-K291 PolarHBondContact O-N 2.69Å; E289-K291 PolarHBondContact O-N 3.23Å; K291-L294 PolarHBondContact O-N 2.61Å; K291-T295 WeakPolarHBondContact O-CB 3.46Å; K291-T295 PolarHBondContact O-N 3.15Å; K291-T295 PolarHBondContact O-OG1 2.78Å
292N92.1Very high90.4Very high6 Ų634.6 Ų34.63%0.03217%0.169CC..Hα-helixtrans-70.3-39-176-72.2-23.1000112.3L18 F75 E193 I288 E289 T290 T295 C296L18-N292 HydrophobicContact CD1-CB 3.82Å; F75-N292 HydrophobicContact CE1-CB 4.24Å; F75-N292 HydrophobicContact CZ-CB 3.93Å; E193-N292 PolarHBondContact OE2-ND2 3.22Å; E193-N292 PolarHBondContact OE2-OD1 2.63Å; I288-N292 WeakPolarHBondContact O-CB 3.19Å; I288-N292 VanDerWaalsContact O-CG 3.28Å; I288-N292 PolarHBondContact O-N 3.44Å; I288-N292 PolarHBondContact O-ND2 3.2Å; E289-N292 PolarHBondContact O-N 3.29Å; E289-N292 VanDerWaalsContact O-N 3.12Å; T290-N292 VanDerWaalsContact C-N 3.28Å; T290-N292 PolarHBondContact O-N 3Å; N292-T295 PolarHBondContact O-N 2.77Å; N292-C296 WeakPolarHBondContact O-CB 3.35Å; N292-C296 PolarHBondContact O-N 3.06Å
293I93.7Very high90.7Very high64 Ų6427.2 Ų27.233%0.32814%0.135SC..Hα-helixtrans-60.9-47.5171.1-66.6164000110.7I13 L18 E289 T290 T295 C296 L297I13-I293 HydrophobicContact CG2-CD1 4.01Å; I13-I293 HydrophobicContact CG2-CG1 4.05Å; L18-I293 HydrophobicContact CD2-CG1 4.43Å; E289-I293 HydrophobicContact CG-CD1 4Å; E289-I293 WeakPolarHBondContact O-CG1 3.22Å; E289-I293 PolarHBondContact O-N 3.34Å; T290-I293 PolarHBondContact O-N 3.2Å; I293-T295 VanDerWaalsContact C-N 3.32Å; I293-T295 PolarHBondContact O-N 2.97Å; I293-C296 WeakPolarHBondContact O-CB 3.38Å; I293-C296 PolarHBondContact O-N 2.89Å; I293-L297 WeakPolarHBondContact O-CB 3.06Å; I293-L297 PolarHBondContact O-N 3.35Å
294L93.7Very high90.7Very high26 Ų2626.1 Ų26.114%0.13613%0.132CC..Hα-helixtrans-67.6-33.8-179.1-66.5-177.7000112.6P264 Y265 F268 T290 K291 L297 A298P264-L294 HydrophobicContact CB-CD1 4.38Å; P264-L294 HydrophobicContact CB-CD2 3.59Å; Y265-L294 HydrophobicContact CD2-CB 4.46Å; F268-L294 HydrophobicContact CB-CD1 3.29Å; F268-L294 HydrophobicContact CD1-CD1 3.71Å; F268-L294 HydrophobicContact CD2-CD1 4.23Å; F268-L294 HydrophobicContact CG-CD1 3.47Å; F268-L294 VanDerWaalsContact CG-CD1 3.47Å; T290-L294 HydrophobicContact CG2-CD1 4.05Å; T290-L294 HydrophobicContact CG2-CG 4.34Å; T290-L294 WeakPolarHBondContact O-CB 3.42Å; T290-L294 VanDerWaalsContact O-CG 3.25Å; T290-L294 WeakPolarHBondContact O-CG 3.35Å; T290-L294 PolarHBondContact O-N 2.81Å; K291-L294 PolarHBondContact O-N 2.61Å; L294-L297 HydrophobicContact CD2-CD2 4.41Å; L294-L297 PolarHBondContact O-N 3.33Å; L294-A298 WeakPolarHBondContact O-CB 3.05Å; L294-A298 PolarHBondContact O-N 3.39Å
295T91.9Very high90.4Very high20 Ų2026 Ų2612%0.12313%0.132CC..Hα-helixtrans-66.3-41.3173.6-560000111.1M99 M103 Y265 K291 N292 I293 A298 S299M99-T295 HydrophobicContact SD-CG2 4.19Å; M103-T295 HydrophobicContact CE-CG2 4.29Å; Y265-T295 HydrophobicContact CE2-CG2 4.44Å; Y265-T295 VanDerWaalsContact CE2-OG1 3.31Å; Y265-T295 WeakPolarHBondContact CE2-OG1 3.22Å; K291-T295 WeakPolarHBondContact O-CB 3.46Å; K291-T295 PolarHBondContact O-N 3.15Å; K291-T295 PolarHBondContact O-OG1 2.78Å; N292-T295 PolarHBondContact O-N 2.77Å; I293-T295 VanDerWaalsContact C-N 3.32Å; I293-T295 PolarHBondContact O-N 2.97Å; T295-A298 PolarHBondContact O-N 3.34Å; T295-S299 WeakPolarHBondContact O-CB 3.26Å; T295-S299 PolarHBondContact O-N 2.55Å; T295-S299 PolarHBondContact O-OG 3.41Å
296C94.3Very high89.8Confident6 Ų624.8 Ų24.84%0.04113%0.126CC..Hα-helixtrans-61.8-44.4173.6-175.50000111.2L18 I21 Y22 N292 I293 A298 S299 A300L18-C296 HydrophobicContact CD2-CB 3.79Å; I21-C296 VanDerWaalsContact CG2-SG 3.57Å; Y22-C296 HydrophobicContact CE1-CB 4.08Å; Y22-C296 HydrophobicContact CE2-CB 4.16Å; Y22-C296 VanDerWaalsContact OH-CA 3.31Å; Y22-C296 WeakPolarHBondContact OH-CA 3.25Å; Y22-C296 WeakPolarHBondContact OH-CB 3.31Å; Y22-C296 PolarHBondContact OH-N 3.49Å; N292-C296 WeakPolarHBondContact O-CB 3.35Å; N292-C296 PolarHBondContact O-N 3.06Å; I293-C296 WeakPolarHBondContact O-CB 3.38Å; I293-C296 PolarHBondContact O-N 2.89Å; C296-A298 PolarHBondContact O-N 3.35Å; C296-S299 WeakPolarHBondContact O-CB 3.46Å; C296-S299 PolarHBondContact O-N 3.29Å; C296-S299 VanDerWaalsContact O-N 3.17Å; C296-A300 PolarHBondContact O-N 2.86Å
297L93.6Very high89.2Confident60 Ų6021.3 Ų21.331%0.31412%0.116SC..Hα-helixtrans-62.8-41.3177.9-177.962000112.2V260 C261 I293 L294 S299 A300V260-L297 WeakPolarHBondContact O-CD2 3.36Å; C261-L297 WeakPolarHBondContact CB-O 3.46Å; I293-L297 WeakPolarHBondContact O-CB 3.06Å; I293-L297 PolarHBondContact O-N 3.35Å; L294-L297 HydrophobicContact CD2-CD2 4.41Å; L294-L297 PolarHBondContact O-N 3.33Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 2.94Å; L297-A300 WeakPolarHBondContact O-CB 3.27Å; L297-A300 PolarHBondContact O-N 2.89Å
298A91.2Very high88.5Confident2 Ų221.1 Ų21.12%0.01712%0.116CC..Hα-helixtrans-62.3-39.7173.500000111.8M103 C261 F262 Y265 L294 T295 C296 R301M103-A298 HydrophobicContact CE-CB 3.8Å; C261-A298 WeakPolarHBondContact O-CA 3.33Å; C261-A298 PolarHBondContact O-N 3.13Å; F262-A298 HydrophobicContact CD1-CB 3.92Å; F262-A298 HydrophobicContact CE1-CB 3.97Å; Y265-A298 HydrophobicContact CD1-CB 4.49Å; Y265-A298 HydrophobicContact CG-CB 4.19Å; L294-A298 WeakPolarHBondContact O-CB 3.05Å; L294-A298 PolarHBondContact O-N 3.39Å; T295-A298 PolarHBondContact O-N 3.34Å; C296-A298 PolarHBondContact O-N 3.35Å; A298-R301 WeakPolarHBondContact O-CB 3.29Å
299S91.3Very high87.7Confident2 Ų221.3 Ų21.31%0.01412%0.116CC..Hα-helixtrans-67.9-35.5177.2-55.20000112.4M68 M99 T295 C296 L297 R301 S302M68-S299 WeakPolarHBondContact CE-O 3.37Å; M99-S299 WeakPolarHBondContact CE-OG 3.49Å; T295-S299 WeakPolarHBondContact O-CB 3.26Å; T295-S299 PolarHBondContact O-N 2.55Å; T295-S299 PolarHBondContact O-OG 3.41Å; C296-S299 WeakPolarHBondContact O-CB 3.46Å; C296-S299 PolarHBondContact O-N 3.29Å; C296-S299 VanDerWaalsContact O-N 3.17Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 2.94Å; S299-R301 PolarHBondContact O-N 2.8Å; S299-R301 VanDerWaalsContact O-N 3.13Å; S299-S302 WeakPolarHBondContact O-CB 3.45Å; S299-S302 PolarHBondContact O-N 3.33Å; S299-S302 PolarHBondContact O-OG 3.42Å
300A91.8Very high86.7Confident17 Ų1722.8 Ų22.814%0.1413%0.125CC..Hα-helixtrans-59.6-24.6-18000000114L25 C296 L297 S302 S303 T304L25-A300 HydrophobicContact CD1-CB 3.62Å; L25-A300 HydrophobicContact CD2-CB 3.74Å; L25-A300 HydrophobicContact CG-CB 4.35Å; C296-A300 PolarHBondContact O-N 2.86Å; L297-A300 WeakPolarHBondContact O-CB 3.27Å; L297-A300 PolarHBondContact O-N 2.89Å; A300-S302 VanDerWaalsContact C-N 3.27Å; A300-S302 PolarHBondContact O-N 2.95Å; A300-S303 PolarHBondContact O-N 2.92Å; A300-T304 PolarHBondContact O-N 2.91Å; A300-T304 PolarHBondContact O-OG1 2.93Å
301R89.9Confident85.5Confident4 Ų427.1 Ų27.12%0.01515%0.146CC..Hα-helixtrans-54.8-44.1172.4-177.6-144.417369.62.5112.3L258 C261 F262 A298 S299 S303 T304 D305L258-R301 VanDerWaalsContact CA-NH1 3.34Å; L258-R301 VanDerWaalsContact CD2-CZ 3.42Å; C261-R301 HydrophobicContact CB-CB 3.92Å; F262-R301 HydrophobicContact CE2-CB 4.46Å; F262-R301 HydrophobicContact CE2-CG 4.42Å; A298-R301 WeakPolarHBondContact O-CB 3.29Å; S299-R301 PolarHBondContact O-N 2.8Å; S299-R301 VanDerWaalsContact O-N 3.13Å; R301-S303 PolarHBondContact O-N 3.22Å; R301-S303 VanDerWaalsContact O-N 3.16Å; R301-T304 WeakPolarHBondContact CA-OG1 3.41Å; R301-T304 PolarHBondContact O-N 2.88Å; R301-T304 PolarHBondContact O-OG1 3.11Å; R301-D305 PolarHBondContact O-N 2.95Å
302S89.9Confident84.2Confident6 Ų626.7 Ų26.74%0.04215%0.145CC..Hα-helixtrans-60.8-29.4-176.965.70000112.5N33 N61 V64 S299 A300N33-S302 PolarHBondContact ND2-O 3.23Å; N61-S302 WeakPolarHBondContact OD1-CB 3.39Å; V64-S302 WeakPolarHBondContact CG1-OG 3.42Å; S299-S302 WeakPolarHBondContact O-CB 3.45Å; S299-S302 PolarHBondContact O-N 3.33Å; S299-S302 PolarHBondContact O-OG 3.42Å; A300-S302 VanDerWaalsContact C-N 3.27Å; A300-S302 PolarHBondContact O-N 2.95Å
303S89.8Confident83.1Confident3 Ų327.5 Ų27.52%0.02115%0.15CC..Hα-helixtrans-80.8-15.5177.2-51.10000113.5L25 A300 R301L25-S303 WeakPolarHBondContact O-CB 2.99Å; L25-S303 PolarHBondContact O-OG 2.83Å; A300-S303 PolarHBondContact O-N 2.92Å; R301-S303 PolarHBondContact O-N 3.22Å; R301-S303 VanDerWaalsContact O-N 3.16Å
304T85.3Confident81.9Confident41 Ų4129.9 Ų29.925%0.25216%0.158SC..Hα-helixtrans-92-20.7179.725.20000113.6A300 R301 P306 I307 I308A300-T304 PolarHBondContact O-N 2.91Å; A300-T304 PolarHBondContact O-OG1 2.93Å; R301-T304 WeakPolarHBondContact CA-OG1 3.41Å; R301-T304 PolarHBondContact O-N 2.88Å; R301-T304 PolarHBondContact O-OG1 3.11Å; T304-P306 VanDerWaalsContact C-CD 3.48Å; T304-I307 HydrophobicContact CG2-CD1 4.48Å; T304-I307 WeakPolarHBondContact O-CB 3.37Å; T304-I307 PolarHBondContact O-N 3.39Å; T304-I307 VanDerWaalsContact O-N 3.08Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.38Å
305D81.2Confident80.7Confident5 Ų532 Ų323%0.02717%0.172CC..Hα-helixtrans-53.4-41.3179.6-77.1-9.7000114.6N61 R301 I307 I308 F309N61-D305 PolarHBondContact ND2-OD2 2.85Å; R301-D305 PolarHBondContact O-N 2.95Å; D305-I307 VanDerWaalsContact C-N 3.34Å; D305-I307 PolarHBondContact O-N 3.18Å; D305-I308 WeakPolarHBondContact O-CB 3.01Å; D305-I308 PolarHBondContact O-N 3.44Å; D305-F309 HydrophobicContact CB-CE2 4.22Å; D305-F309 VanDerWaalsContact O-CD2 3.26Å; D305-F309 WeakPolarHBondContact O-CD2 3.21Å; D305-F309 WeakPolarHBondContact O-CG 3.37Å; D305-F309 PolarHBondContact O-N 2.98Å
306P76.1Confident79.6Confident5 Ų531.2 Ų31.23%0.03217%0.167CC..Hα-helixtrans-63.4-36.6176.2-24.435.9000114G32 N33 T304 I308 F309 L310G32-P306 VanDerWaalsContact C-CB 3.43Å; G32-P306 VanDerWaalsContact CA-CB 3.46Å; N33-P306 HydrophobicContact CB-CG 4.28Å; N33-P306 VanDerWaalsContact N-CG 3.27Å; T304-P306 VanDerWaalsContact C-CD 3.48Å; P306-I308 VanDerWaalsContact C-N 3.29Å; P306-I308 PolarHBondContact O-N 2.93Å; P306-F309 PolarHBondContact O-N 3.48Å; P306-L310 WeakPolarHBondContact O-CG 3.25Å; P306-L310 PolarHBondContact O-N 3.19Å
307I75.2Confident78.7Confident79 Ų7937.2 Ų37.241%0.40519%0.192SC..Hα-helixtrans-64.8-39.7176.3-58.9173.3000109.2T304 D305 L310 L311T304-I307 HydrophobicContact CG2-CD1 4.48Å; T304-I307 WeakPolarHBondContact O-CB 3.37Å; T304-I307 PolarHBondContact O-N 3.39Å; T304-I307 VanDerWaalsContact O-N 3.08Å; D305-I307 VanDerWaalsContact C-N 3.34Å; D305-I307 PolarHBondContact O-N 3.18Å; I307-L310 PolarHBondContact O-N 3.39Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.3Å; I307-L311 WeakPolarHBondContact O-CB 3.39Å; I307-L311 VanDerWaalsContact O-CG 3.26Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 2.93Å
308I74.8Confident77.9Confident7 Ų741.2 Ų41.24%0.03621%0.207CC..Hα-helixtrans-61.8-46.9174-57.3171.4000110.2V253 I254 L257 T304 D305 P306 L310 L311 L312V253-I308 HydrophobicContact CG1-CD1 4.5Å; V253-I308 HydrophobicContact CG1-CG1 4.2Å; I254-I308 HydrophobicContact CD1-CG2 4.45Å; I254-I308 HydrophobicContact CG1-CD1 4.12Å; I254-I308 HydrophobicContact CG1-CG2 4.05Å; L257-I308 HydrophobicContact CD1-CD1 3.34Å; L257-I308 HydrophobicContact CD1-CG1 3.88Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.38Å; D305-I308 WeakPolarHBondContact O-CB 3.01Å; D305-I308 PolarHBondContact O-N 3.44Å; P306-I308 VanDerWaalsContact C-N 3.29Å; P306-I308 PolarHBondContact O-N 2.93Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 3.14Å; I308-L311 PolarHBondContact O-N 3.19Å; I308-L312 HydrophobicContact CG2-CB 4.47Å; I308-L312 HydrophobicContact CG2-CD1 3.59Å; I308-L312 HydrophobicContact CG2-CG 4.42Å; I308-L312 WeakPolarHBondContact O-CA 3.49Å; I308-L312 VanDerWaalsContact O-CB 3.23Å; I308-L312 WeakPolarHBondContact O-CB 3.15Å; I308-L312 PolarHBondContact O-N 3.12Å
309F73.3Confident77.2Confident5 Ų542.5 Ų42.52%0.02222%0.215CC..Hα-helixtrans-61.3-42.2178.2-61.2-40.9000112.2F40 L54 V58 D305 P306 D313 F316F40-F309 HydrophobicContact CE2-CE2 4.27Å; F40-F309 HydrophobicContact CZ-CD2 4.29Å; F40-F309 HydrophobicContact CZ-CE2 4.34Å; F40-F309 HydrophobicContact CZ-CG 4.42Å; L54-F309 HydrophobicContact CD1-CE1 4.26Å; L54-F309 HydrophobicContact CD2-CE1 3.9Å; L54-F309 HydrophobicContact CD2-CZ 3.98Å; V58-F309 HydrophobicContact CG2-CE2 3.72Å; V58-F309 HydrophobicContact CG2-CZ 4.37Å; D305-F309 HydrophobicContact CB-CE2 4.22Å; D305-F309 VanDerWaalsContact O-CD2 3.26Å; D305-F309 WeakPolarHBondContact O-CD2 3.21Å; D305-F309 WeakPolarHBondContact O-CG 3.37Å; D305-F309 PolarHBondContact O-N 2.98Å; P306-F309 PolarHBondContact O-N 3.48Å; F309-D313 WeakPolarHBondContact O-CB 3.35Å; F309-D313 PolarHBondContact O-N 3.44Å; F309-F316 HydrophobicContact CB-CD1 4.07Å; F309-F316 HydrophobicContact CB-CE1 4.29Å; F309-F316 HydrophobicContact CB-CG 4.18Å
310L69.2Low76.6Confident65 Ų6543.6 Ų43.634%0.3422%0.221SC..Hα-helixtrans-60.7-44.9175.8-75.5166.9000113.1P306 I307 I308 F316 L320P306-L310 WeakPolarHBondContact O-CG 3.25Å; P306-L310 PolarHBondContact O-N 3.19Å; I307-L310 PolarHBondContact O-N 3.39Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 3.14Å; L310-F316 HydrophobicContact CD2-CD1 4.1Å; L310-F316 HydrophobicContact CD2-CE1 3.56Å; L310-F316 HydrophobicContact CG-CD1 4.37Å; L310-F316 HydrophobicContact CG-CE1 3.81Å; L310-L320 HydrophobicContact CD2-CD2 3.18Å
311L66.1Low76.1Confident117 Ų11750.3 Ų50.361%0.61324%0.243SC*.Hα-helixtrans-82.1-30.1-174.5-66.7177.4000113I307 I308I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.3Å; I307-L311 WeakPolarHBondContact O-CB 3.39Å; I307-L311 VanDerWaalsContact O-CG 3.26Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 2.93Å; I308-L311 PolarHBondContact O-N 3.19Å
312L63.6Low75.6Confident20 Ų2054 Ų5411%0.10526%0.264CS..Hα-helixtrans-123.9-17.5-163-55.1171.7000114.7R249 H250 V253 I308R249-L312 HydrophobicContact CG-CD2 3.95Å; R249-L312 VanDerWaalsContact NE-CD2 3.26Å; H250-L312 HydrophobicContact CB-CB 3.97Å; H250-L312 HydrophobicContact CB-CD1 4.24Å; H250-L312 VanDerWaalsContact ND1-CB 3.3Å; H250-L312 WeakPolarHBondContact ND1-CB 3.2Å; H250-L312 PolarHBondContact ND1-O 3.46Å; V253-L312 HydrophobicContact CB-CD1 3.77Å; V253-L312 HydrophobicContact CG1-CD1 3.99Å; V253-L312 HydrophobicContact CG2-CD1 3.96Å; I308-L312 HydrophobicContact CG2-CB 4.47Å; I308-L312 HydrophobicContact CG2-CD1 3.59Å; I308-L312 HydrophobicContact CG2-CG 4.42Å; I308-L312 WeakPolarHBondContact O-CA 3.49Å; I308-L312 VanDerWaalsContact O-CB 3.23Å; I308-L312 WeakPolarHBondContact O-CB 3.15Å; I308-L312 PolarHBondContact O-N 3.12Å
313D69.3Low75.1Confident24 Ų2456.9 Ų56.913%0.12828%0.278CS..  trans-96106.5173.2-173.5-25000110.5F309 T315 F316 K317F309-D313 WeakPolarHBondContact O-CB 3.35Å; F309-D313 PolarHBondContact O-N 3.44Å; D313-T315 VanDerWaalsContact C-N 3.26Å; D313-T315 PolarHBondContact O-N 3.27Å; D313-T315 WeakPolarHBondContact OD1-CA 3.41Å; D313-T315 VanDerWaalsContact OD1-CB 3.25Å; D313-T315 WeakPolarHBondContact OD1-CB 3.31Å; D313-T315 PolarHBondContact OD1-N 2.96Å; D313-F316 HydrophobicContact CB-CB 3.65Å; D313-F316 WeakPolarHBondContact O-CB 3.5Å; D313-F316 PolarHBondContact O-N 3.18Å; D313-F316 PolarHBondContact OD1-N 3.38Å; D313-K317 WeakPolarHBondContact O-CB 3.32Å; D313-K317 PolarHBondContact O-N 3.33Å
314K68.1Low74.7Confident113 Ų11362.8 Ų62.849%0.49130%0.303SS..Hα-helixtrans-61.9-33.3179.6-65-175.7-178.1-179.80112.6S246 K318S246-K314 WeakPolarHBondContact OG-CE 3.36Å; S246-K314 PolarHBondContact OG-NZ 3.36Å; K314-K318 WeakPolarHBondContact O-CB 3.21Å; K314-K318 PolarHBondContact O-N 3.43Å
315T68.3Low74.2Confident72 Ų7263.1 Ų63.144%0.44231%0.306SS..Hα-helixtrans-70.9-44.1178.9-47.30000109.7D313 T319D313-T315 VanDerWaalsContact C-N 3.26Å; D313-T315 PolarHBondContact O-N 3.27Å; D313-T315 WeakPolarHBondContact OD1-CA 3.41Å; D313-T315 VanDerWaalsContact OD1-CB 3.25Å; D313-T315 WeakPolarHBondContact OD1-CB 3.31Å; D313-T315 PolarHBondContact OD1-N 2.96Å; T315-T319 WeakPolarHBondContact O-CB 3.45Å; T315-T319 PolarHBondContact O-N 2.79Å; T315-T319 PolarHBondContact O-OG1 3.14Å
316F69.5Low73.6Confident2 Ų270.7 Ų70.71%0.00934%0.338CS..Hα-helixtrans-60.9-52.1174.8-168.7-97.5000111.2I39 F40 F309 L310 D313 K318 T319 L320I39-F316 HydrophobicContact CB-CD2 4.3Å; I39-F316 HydrophobicContact CB-CE2 3.78Å; I39-F316 HydrophobicContact CD1-CD2 4.13Å; I39-F316 HydrophobicContact CD1-CE1 4.24Å; I39-F316 HydrophobicContact CD1-CE2 3.34Å; I39-F316 HydrophobicContact CD1-CZ 3.42Å; I39-F316 VanDerWaalsContact CD1-CZ 3.42Å; I39-F316 HydrophobicContact CG1-CE2 4.13Å; I39-F316 HydrophobicContact CG2-CD2 3.76Å; I39-F316 HydrophobicContact CG2-CE2 3.77Å; F40-F316 AromaticContact CE1-CD2 3.97Å; F40-F316 HydrophobicContact CE1-CD2 3.97Å; F40-F316 HydrophobicContact CE1-CE2 4.43Å; F309-F316 HydrophobicContact CB-CD1 4.07Å; F309-F316 HydrophobicContact CB-CE1 4.29Å; F309-F316 HydrophobicContact CB-CG 4.18Å; L310-F316 HydrophobicContact CD2-CD1 4.1Å; L310-F316 HydrophobicContact CD2-CE1 3.56Å; L310-F316 HydrophobicContact CG-CD1 4.37Å; L310-F316 HydrophobicContact CG-CE1 3.81Å; D313-F316 HydrophobicContact CB-CB 3.65Å; D313-F316 WeakPolarHBondContact O-CB 3.5Å; D313-F316 PolarHBondContact O-N 3.18Å; D313-F316 PolarHBondContact OD1-N 3.38Å; F316-K318 PolarHBondContact O-N 3.36Å; F316-T319 PolarHBondContact O-N 2.87Å; F316-L320 WeakPolarHBondContact O-CB 3.38Å; F316-L320 PolarHBondContact O-N 3.22Å
317K75.7Confident73Confident132 Ų13273.8 Ų73.857%0.57436%0.36SS*.Hα-helixtrans-58.3-46.3178.7-174.3176.5-179.7177.10112.4D313 T319 L320 Y321D313-K317 WeakPolarHBondContact O-CB 3.32Å; D313-K317 PolarHBondContact O-N 3.33Å; K317-T319 VanDerWaalsContact C-N 3.35Å; K317-T319 PolarHBondContact O-N 3.2Å; K317-L320 PolarHBondContact O-N 2.9Å; K317-Y321 WeakPolarHBondContact O-CB 3.47Å; K317-Y321 PolarHBondContact O-N 2.85Å
318K77.4Confident72.2Confident144 Ų14475.1 Ų75.163%0.62637%0.368SS*.Hα-helixtrans-62.5-42.3177.6-176174.6-178.61760111.6K314 F316 N322K314-K318 WeakPolarHBondContact O-CB 3.21Å; K314-K318 PolarHBondContact O-N 3.43Å; F316-K318 PolarHBondContact O-N 3.36Å; K318-N322 WeakPolarHBondContact O-CB 3.15Å; K318-N322 PolarHBondContact O-N 3.49Å; K318-N322 PolarHBondContact O-OD1 3.18Å
319T75.6Confident71.3Confident30 Ų3078.1 Ų78.118%0.18439%0.39CS..Hα-helixtrans-64.4-44.5178.4-560000111.2I39 K43 T315 F316 K317 N322 L323I39-T319 HydrophobicContact CG2-CG2 4.16Å; K43-T319 HydrophobicContact CB-CG2 3.62Å; K43-T319 HydrophobicContact CG-CG2 4.1Å; T315-T319 WeakPolarHBondContact O-CB 3.45Å; T315-T319 PolarHBondContact O-N 2.79Å; T315-T319 PolarHBondContact O-OG1 3.14Å; F316-T319 PolarHBondContact O-N 2.87Å; K317-T319 VanDerWaalsContact C-N 3.35Å; K317-T319 PolarHBondContact O-N 3.2Å; T319-N322 PolarHBondContact O-N 3.26Å; T319-L323 WeakPolarHBondContact O-CG 3.23Å; T319-L323 PolarHBondContact O-N 3Å; T319-L323 VanDerWaalsContact O-N 3.16Å
320L79.2Confident70.2Confident25 Ų2580.7 Ų80.713%0.13141%0.412CS..Hα-helixtrans-65-45.3178-172.968.4000112.1L35 I39 L310 F316 K317 N322 L323 F324L35-L320 HydrophobicContact CD2-CD1 4.31Å; I39-L320 HydrophobicContact CD1-CD1 4.28Å; L310-L320 HydrophobicContact CD2-CD2 3.18Å; F316-L320 WeakPolarHBondContact O-CB 3.38Å; F316-L320 PolarHBondContact O-N 3.22Å; K317-L320 PolarHBondContact O-N 2.9Å; L320-N322 VanDerWaalsContact C-N 3.3Å; L320-N322 PolarHBondContact O-N 3.03Å; L320-L323 WeakPolarHBondContact O-CB 3.39Å; L320-L323 PolarHBondContact O-N 3.28Å; L320-L323 VanDerWaalsContact O-N 3.07Å; L320-F324 HydrophobicContact CD1-CD2 4.2Å; L320-F324 HydrophobicContact CD1-CE2 3.6Å; L320-F324 HydrophobicContact CD1-CZ 4.44Å; L320-F324 HydrophobicContact CD2-CE2 4.14Å; L320-F324 HydrophobicContact CG-CD2 3.95Å; L320-F324 HydrophobicContact CG-CE2 3.62Å; L320-F324 VanDerWaalsContact O-CD2 3.3Å; L320-F324 WeakPolarHBondContact O-CD2 3.06Å; L320-F324 PolarHBondContact O-N 3.4Å; L320-F324 VanDerWaalsContact O-N 3.16Å
321Y80.5Confident69.1Low157 Ų15783.2 Ų83.262%0.61642%0.422SS*.Hα-helixtrans-58.3-43176.1-179.7-96.6000112.2K317 L323 F324 T325K317-Y321 WeakPolarHBondContact O-CB 3.47Å; K317-Y321 PolarHBondContact O-N 2.85Å; Y321-L323 VanDerWaalsContact C-N 3.26Å; Y321-L323 PolarHBondContact O-N 2.91Å; Y321-F324 PolarHBondContact O-N 3.41Å; Y321-T325 HydrophobicContact CD1-CG2 4.2Å; Y321-T325 HydrophobicContact CE1-CG2 3.66Å; Y321-T325 HydrophobicContact CE2-CG2 4.11Å; Y321-T325 PolarHBondContact O-N 3.31Å; Y321-T325 PolarHBondContact O-OG1 3.3Å
322N80.6Confident68.2Low83 Ų8385.1 Ų85.144%0.44443%0.429SS..Hα-helixtrans-64.1-29.5176.5-72.9-2.5000112.8K318 T319 L320 T325 K326K318-N322 WeakPolarHBondContact O-CB 3.15Å; K318-N322 PolarHBondContact O-N 3.49Å; K318-N322 PolarHBondContact O-OD1 3.18Å; T319-N322 PolarHBondContact O-N 3.26Å; L320-N322 VanDerWaalsContact C-N 3.3Å; L320-N322 PolarHBondContact O-N 3.03Å; N322-T325 VanDerWaalsContact CA-OG1 3.29Å; N322-T325 WeakPolarHBondContact CA-OG1 2.94Å; N322-T325 PolarHBondContact O-OG1 2.97Å; N322-K326 WeakPolarHBondContact O-CB 3.32Å; N322-K326 PolarHBondContact O-N 3.29Å; N322-K326 VanDerWaalsContact O-N 3.1Å
323L79.1Confident67.4Low65 Ų6591.9 Ų91.934%0.3446%0.461SS..Hα-helixtrans-71.5-45.7176-69.8168.1000111.5T319 L320 Y321 K326 S327T319-L323 WeakPolarHBondContact O-CG 3.23Å; T319-L323 PolarHBondContact O-N 3Å; T319-L323 VanDerWaalsContact O-N 3.16Å; L320-L323 WeakPolarHBondContact O-CB 3.39Å; L320-L323 PolarHBondContact O-N 3.28Å; L320-L323 VanDerWaalsContact O-N 3.07Å; Y321-L323 VanDerWaalsContact C-N 3.26Å; Y321-L323 PolarHBondContact O-N 2.91Å; L323-K326 PolarHBondContact O-N 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.35Å; L323-S327 PolarHBondContact O-N 2.78Å
324F79.9Confident66.3Low127 Ų12794.8 Ų94.856%0.55748%0.483SS*.Hα-helixtrans-66.4-40.9178.1-75.4-67.8000112.6L320 Y321 S327 N328L320-F324 HydrophobicContact CD1-CD2 4.2Å; L320-F324 HydrophobicContact CD1-CE2 3.6Å; L320-F324 HydrophobicContact CD1-CZ 4.44Å; L320-F324 HydrophobicContact CD2-CE2 4.14Å; L320-F324 HydrophobicContact CG-CD2 3.95Å; L320-F324 HydrophobicContact CG-CE2 3.62Å; L320-F324 VanDerWaalsContact O-CD2 3.3Å; L320-F324 WeakPolarHBondContact O-CD2 3.06Å; L320-F324 PolarHBondContact O-N 3.4Å; L320-F324 VanDerWaalsContact O-N 3.16Å; Y321-F324 PolarHBondContact O-N 3.41Å; F324-S327 PolarHBondContact O-N 3.15Å; F324-N328 PolarHBondContact O-N 2.95Å
325T75.8Confident65.2Low49 Ų4998.5 Ų98.530%0.30150%0.495SS..Hα-helixtrans-66.2-42.4176.443.60000112.1Y321 N322 S327 N328 S329Y321-T325 HydrophobicContact CD1-CG2 4.2Å; Y321-T325 HydrophobicContact CE1-CG2 3.66Å; Y321-T325 HydrophobicContact CE2-CG2 4.11Å; Y321-T325 PolarHBondContact O-N 3.31Å; Y321-T325 PolarHBondContact O-OG1 3.3Å; N322-T325 VanDerWaalsContact CA-OG1 3.29Å; N322-T325 WeakPolarHBondContact CA-OG1 2.94Å; N322-T325 PolarHBondContact O-OG1 2.97Å; T325-S327 VanDerWaalsContact C-N 3.32Å; T325-S327 PolarHBondContact O-N 2.98Å; T325-N328 PolarHBondContact O-N 3.37Å; T325-S329 PolarHBondContact O-N 3.25Å; T325-S329 PolarHBondContact O-OG 3.21Å
326K68.2Low63.7Low163 Ų163101.5 Ų101.571%0.70954%0.54SS*.Hα-helixtrans-67.7-32.4176.7-155.8175.8-170.2-1760112.6N322 L323 A330N322-K326 WeakPolarHBondContact O-CB 3.32Å; N322-K326 PolarHBondContact O-N 3.29Å; N322-K326 VanDerWaalsContact O-N 3.1Å; L323-K326 PolarHBondContact O-N 3.25Å; K326-A330 PolarHBondContact O-N 3.04Å; K326-A330 VanDerWaalsContact O-N 3.1Å
327S63.8Low63.4Low71 Ų71106.5 Ų106.550%0.49757%0.567SS.*Hα-helixtrans-64.8-42.2171.7-1680000111.8L323 F324 T325 A330 H331L323-S327 WeakPolarHBondContact O-CB 3.35Å; L323-S327 PolarHBondContact O-N 2.78Å; F324-S327 PolarHBondContact O-N 3.15Å; T325-S327 VanDerWaalsContact C-N 3.32Å; T325-S327 PolarHBondContact O-N 2.98Å; S327-A330 PolarHBondContact O-N 2.03Å; S327-H331 WeakPolarHBondContact O-CB 3.4Å; S327-H331 PolarHBondContact O-N 3.35Å
328N59.1Low62.8Low106 Ų106105.2 Ų105.257%0.56757%0.567SS**Hα-helixtrans-67.5-37177-73.9-1.7000112.2F324 T325 H331 M332F324-N328 PolarHBondContact O-N 2.95Å; T325-N328 PolarHBondContact O-N 3.37Å; N328-H331 PolarHBondContact O-N 3.35Å; N328-M332 PolarHBondContact O-N 3.37Å; N328-M332 VanDerWaalsContact O-N 3.08Å
329S54.7Low62Low70 Ų70103 Ų10349%0.4956%0.563SS.*Hα-helixtrans-66.2-38.8175.3-51.40000112.7T325 M332 Q333T325-S329 PolarHBondContact O-N 3.25Å; T325-S329 PolarHBondContact O-OG 3.21Å; S329-M332 PolarHBondContact O-N 2.92Å; S329-Q333 PolarHBondContact O-N 3.18Å
330A51.5Low61.2Low59 Ų59107.3 Ų107.349%0.48859%0.586SS.*Hα-helixtrans-69.4-33.8176.200000112.3K326 S327 Q333K326-A330 PolarHBondContact O-N 3.04Å; K326-A330 VanDerWaalsContact O-N 3.1Å; S327-A330 PolarHBondContact O-N 2.03Å; A330-Q333 PolarHBondContact O-N 2.86Å
331H44.7Very low60Low118 Ų118112.4 Ų112.455%0.54661%0.614SS.*Hα-helixtrans-75.1-25.6177.3-150.7-61000113S327 N328 Y335S327-H331 WeakPolarHBondContact O-CB 3.4Å; S327-H331 PolarHBondContact O-N 3.35Å; N328-H331 PolarHBondContact O-N 3.35Å; H331-Y335 AromaticContact CE1-CE2 3.66Å; H331-Y335 AromaticContact ND1-CE2 3.85Å
332M47.5Very low58.7Low157 Ų157109.5 Ų109.577%0.77361%0.614SS**Hα-helixtrans-77.9-22.9171.5-73.9178.490.500113.1N328 S329N328-M332 PolarHBondContact O-N 3.37Å; N328-M332 VanDerWaalsContact O-N 3.08Å; S329-M332 PolarHBondContact O-N 2.92Å
333Q47.2Very low57.1Low163 Ų163111.4 Ų111.476%0.76263%0.626SS**THydrogen-bonded Turntrans-81.2-13.2176.4-78.5180-31.700114.1S329 A330S329-Q333 PolarHBondContact O-N 3.18Å; A330-Q333 PolarHBondContact O-N 2.86Å
334S44.9Very low55.4Low85 Ų85114.9 Ų114.959%0.59465%0.648SS**THydrogen-bonded Turntrans-942.5177.398.80000114.3
335Y45.4Very low53.4Low191 Ų191113.9 Ų113.975%0.74966%0.656SS**  trans-1249.1178.5-79.1-87.8000112.6H331H331-Y335 AromaticContact CE1-CE2 3.66Å; H331-Y335 AromaticContact ND1-CE2 3.85Å
336G37.6Very low51.3Low135 Ų135119.8 Ų119.8100%1.39269%0.688SS**  trans-104.70-178.900000112.7

Retrieved 336 of 336 residues in 70.5 ms (Link to these results)

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