A0A077ZB02_TRITR Loading...

High affinity choline transporter 1

AlphaFold DB , UniProt , Accession A0A077ZB02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 596 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
1M44.8Very low66.9Low184 Ų18466.5 Ų66.591%0.90638%0.376SS*.  01210-72-170.9-94.700108.8F3M1-F3 PolarHBondContact O-N 3.11Å
2A53.2Low67.9Low87 Ų8768.1 Ų68.172%0.71938%0.381SS*.  trans-80.1113.4168.400000107.7N4A2-N4 PolarHBondContact O-N 3.23Å
3F61.9Low68.7Low96 Ų9670.8 Ų70.842%0.42139%0.393SS..  trans-50.8130.4170.8-174.1-95.3000109.3M1 V5 L8 L151M1-F3 PolarHBondContact O-N 3.11Å; F3-V5 HydrophobicContact CD1-CG2 3.91Å; F3-V5 PolarHBondContact O-N 3.16Å; F3-L8 HydrophobicContact CE1-CB 3.76Å; F3-L8 HydrophobicContact CE1-CD2 3.53Å; F3-L8 HydrophobicContact CE1-CG 4.16Å; F3-L8 HydrophobicContact CZ-CB 4.11Å; F3-L8 HydrophobicContact CZ-CD1 4.39Å; F3-L8 HydrophobicContact CZ-CD2 3.71Å; F3-L8 HydrophobicContact CZ-CG 4.25Å; F3-L151 HydrophobicContact CE1-CD2 4.46Å; F3-L151 HydrophobicContact CE2-CB 4.3Å; F3-L151 HydrophobicContact CE2-CD2 4.38Å; F3-L151 HydrophobicContact CZ-CD2 3.88Å
4N69.4Low69.4Low40 Ų4067.9 Ų67.921%0.21437%0.374CS..  trans-77.281179-166.7-18.5000109.6A2 V6 G7 L8 I150A2-N4 PolarHBondContact O-N 3.23Å; N4-V6 PolarHBondContact O-N 3.06Å; N4-V6 PolarHBondContact OD1-N 3.42Å; N4-G7 PolarHBondContact O-N 2.97Å; N4-G7 VanDerWaalsContact O-N 3.12Å; N4-G7 PolarHBondContact OD1-N 2.98Å; N4-L8 PolarHBondContact O-N 2.9Å; N4-I150 WeakPolarHBondContact CB-O 3.42Å
5V72.7Confident70Confident85 Ų8565.6 Ų65.652%0.51536%0.358SS..Hα-helixtrans-55.8-38.3-179.1178.70000111F3 L8 I9F3-V5 HydrophobicContact CD1-CG2 3.91Å; F3-V5 PolarHBondContact O-N 3.16Å; V5-L8 PolarHBondContact O-N 3Å; V5-I9 HydrophobicContact CG1-CD1 3.82Å; V5-I9 HydrophobicContact CG1-CG1 4.42Å; V5-I9 VanDerWaalsContact O-CG1 3.27Å; V5-I9 WeakPolarHBondContact O-CG1 3.36Å; V5-I9 PolarHBondContact O-N 3.09Å
6V68.5Low70.7Confident82 Ų8265.8 Ų65.850%0.49736%0.362SS..Hα-helixtrans-64-44.9179.7179.50000110.7N4 I9 A10 F329N4-V6 PolarHBondContact O-N 3.06Å; N4-V6 PolarHBondContact OD1-N 3.42Å; V6-I9 PolarHBondContact O-N 3.39Å; V6-A10 PolarHBondContact O-N 3.27Å; V6-F329 HydrophobicContact CG1-CD2 3.97Å
7G69Low71.4Confident6 Ų665.9 Ų65.96%0.06236%0.36CS..Hα-helixtrans-61.2-42.917500000113.6N4 A10 L11 I150N4-G7 PolarHBondContact O-N 2.97Å; N4-G7 VanDerWaalsContact O-N 3.12Å; N4-G7 PolarHBondContact OD1-N 2.98Å; G7-A10 VanDerWaalsContact O-CB 3.22Å; G7-A10 WeakPolarHBondContact O-CB 3.21Å; G7-A10 PolarHBondContact O-N 3.48Å; G7-L11 PolarHBondContact O-N 3.42Å; G7-L11 VanDerWaalsContact O-N 3.1Å; G7-I150 VanDerWaalsContact C-CG2 3.45Å
8L73.5Confident71.9Confident51 Ų5162.5 Ų62.527%0.26734%0.341SS..Hα-helixtrans-61.3-46174.9-17968.1000111.7F3 N4 V5 A10 L11 I12 L151F3-L8 HydrophobicContact CE1-CB 3.76Å; F3-L8 HydrophobicContact CE1-CD2 3.53Å; F3-L8 HydrophobicContact CE1-CG 4.16Å; F3-L8 HydrophobicContact CZ-CB 4.11Å; F3-L8 HydrophobicContact CZ-CD1 4.39Å; F3-L8 HydrophobicContact CZ-CD2 3.71Å; F3-L8 HydrophobicContact CZ-CG 4.25Å; N4-L8 PolarHBondContact O-N 2.9Å; V5-L8 PolarHBondContact O-N 3Å; L8-A10 VanDerWaalsContact C-N 3.25Å; L8-A10 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 2.89Å; L8-I12 HydrophobicContact CD1-CD1 3.99Å; L8-I12 HydrophobicContact CD1-CG1 4.24Å; L8-I12 HydrophobicContact CD2-CD1 4.12Å; L8-I12 HydrophobicContact CG-CD1 3.74Å; L8-I12 HydrophobicContact CG-CG1 4.33Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 2.75Å; L8-L151 HydrophobicContact CB-CD2 3.55Å; L8-L151 HydrophobicContact CD1-CD1 4.09Å; L8-L151 HydrophobicContact CD1-CD2 3.62Å; L8-L151 HydrophobicContact CG-CD2 4.15Å
9I76.8Confident72.3Confident87 Ų8762.6 Ų62.645%0.44634%0.341SS..Hα-helixtrans-59.7-41178.7-69.5166.8000110.1V5 V6 I12 L13V5-I9 HydrophobicContact CG1-CD1 3.82Å; V5-I9 HydrophobicContact CG1-CG1 4.42Å; V5-I9 VanDerWaalsContact O-CG1 3.27Å; V5-I9 WeakPolarHBondContact O-CG1 3.36Å; V5-I9 PolarHBondContact O-N 3.09Å; V6-I9 PolarHBondContact O-N 3.39Å; I9-I12 PolarHBondContact O-N 3.09Å; I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CB 3.22Å; I9-L13 VanDerWaalsContact O-CG 3.24Å; I9-L13 WeakPolarHBondContact O-CG 3.44Å; I9-L13 PolarHBondContact O-N 2.87Å
10A70.2Confident73Confident4 Ų464.8 Ų64.83%0.03335%0.351CS..Hα-helixtrans-53.8-56174.200000111.6V6 G7 L8 I12 L13 F14 F329V6-A10 PolarHBondContact O-N 3.27Å; G7-A10 VanDerWaalsContact O-CB 3.22Å; G7-A10 WeakPolarHBondContact O-CB 3.21Å; G7-A10 PolarHBondContact O-N 3.48Å; L8-A10 VanDerWaalsContact C-N 3.25Å; L8-A10 PolarHBondContact O-N 3.1Å; A10-I12 VanDerWaalsContact C-N 3.34Å; A10-I12 PolarHBondContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.33Å; A10-F14 VanDerWaalsContact O-CD2 3.26Å; A10-F14 WeakPolarHBondContact O-CD2 2.99Å; A10-F14 PolarHBondContact O-N 2.95Å; A10-F329 HydrophobicContact CB-CD1 4.29Å; A10-F329 HydrophobicContact CB-CD2 3.13Å; A10-F329 HydrophobicContact CB-CE1 4.18Å; A10-F329 HydrophobicContact CB-CE2 3Å; A10-F329 HydrophobicContact CB-CG 3.8Å; A10-F329 HydrophobicContact CB-CZ 3.55Å
11L75.8Confident73.5Confident10 Ų1063.2 Ų63.25%0.05234%0.344CS..Hα-helixtrans-59.4-47-175.6-169.5106000110.7G7 L8 L13 F14 Y15 L147 I150G7-L11 PolarHBondContact O-N 3.42Å; G7-L11 VanDerWaalsContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 2.89Å; L11-L13 PolarHBondContact O-N 3.23Å; L11-F14 PolarHBondContact O-N 3.02Å; L11-Y15 HydrophobicContact CD1-CE1 4.43Å; L11-Y15 HydrophobicContact CD1-CE2 4.21Å; L11-Y15 HydrophobicContact CD2-CD2 3.91Å; L11-Y15 HydrophobicContact CD2-CE2 3.34Å; L11-Y15 HydrophobicContact CG-CD2 4.04Å; L11-Y15 HydrophobicContact CG-CE1 4.26Å; L11-Y15 HydrophobicContact CG-CE2 3.57Å; L11-Y15 WeakPolarHBondContact O-CB 3.16Å; L11-Y15 PolarHBondContact O-N 2.79Å; L11-L147 HydrophobicContact CD1-CD1 3.61Å; L11-L147 HydrophobicContact CD2-CD1 3.5Å; L11-L147 HydrophobicContact CG-CD1 4.16Å; L11-I150 HydrophobicContact CD1-CD1 4.27Å
12I79Confident75.2Confident85 Ų8554.6 Ų54.644%0.43630%0.302SS..Hα-helixtrans-61.6-45.9177.3-67.2172.6000110.6L8 I9 A10 F14 Y15 V16L8-I12 HydrophobicContact CD1-CD1 3.99Å; L8-I12 HydrophobicContact CD1-CG1 4.24Å; L8-I12 HydrophobicContact CD2-CD1 4.12Å; L8-I12 HydrophobicContact CG-CD1 3.74Å; L8-I12 HydrophobicContact CG-CG1 4.33Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 2.75Å; I9-I12 PolarHBondContact O-N 3.09Å; A10-I12 VanDerWaalsContact C-N 3.34Å; A10-I12 PolarHBondContact O-N 3.12Å; I12-F14 PolarHBondContact O-N 3.33Å; I12-Y15 PolarHBondContact O-N 3.13Å; I12-V16 HydrophobicContact CG2-CG2 4.14Å; I12-V16 WeakPolarHBondContact O-CB 3.43Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 3.17Å
13L79Confident76.6Confident103 Ų10354.5 Ų54.554%0.53929%0.289SS..Hα-helixtrans-61.8-44.6178.9-75.1173.3000111.7I9 A10 L11 V16 M17I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CB 3.22Å; I9-L13 VanDerWaalsContact O-CG 3.24Å; I9-L13 WeakPolarHBondContact O-CG 3.44Å; I9-L13 PolarHBondContact O-N 2.87Å; A10-L13 PolarHBondContact O-N 3.33Å; L11-L13 PolarHBondContact O-N 3.23Å; L13-V16 PolarHBondContact O-N 3.22Å; L13-M17 VanDerWaalsContact O-CB 3.27Å; L13-M17 WeakPolarHBondContact O-CB 3.39Å; L13-M17 PolarHBondContact O-N 2.87Å
14F78.2Confident77.7Confident30 Ų3056.3 Ų56.313%0.13229%0.294CS..Hα-helixtrans-63.3-45.3176-86.3-72.3000111.6A10 L11 I12 M17 I18 C188 F329A10-F14 VanDerWaalsContact O-CD2 3.26Å; A10-F14 WeakPolarHBondContact O-CD2 2.99Å; A10-F14 PolarHBondContact O-N 2.95Å; L11-F14 PolarHBondContact O-N 3.02Å; I12-F14 PolarHBondContact O-N 3.33Å; F14-M17 HydrophobicContact CD1-CE 3.82Å; F14-M17 HydrophobicContact CE1-CE 4.19Å; F14-M17 PolarHBondContact O-N 2.88Å; F14-I18 WeakPolarHBondContact O-CB 3.32Å; F14-I18 WeakPolarHBondContact O-CD1 3.16Å; F14-I18 WeakPolarHBondContact O-CG1 3.17Å; F14-I18 PolarHBondContact O-N 2.87Å; F14-C188 HydrophobicContact CE1-CB 4.46Å; F14-F329 HydrophobicContact CE2-CE1 4.34Å
15Y78Confident78.1Confident34 Ų3454.4 Ų54.413%0.13328%0.283CS..Hα-helixtrans-63.8-42.6177.8-71.5-8.8000112.5L11 I12 I18 L19 L143 V165 M340L11-Y15 HydrophobicContact CD1-CE1 4.43Å; L11-Y15 HydrophobicContact CD1-CE2 4.21Å; L11-Y15 HydrophobicContact CD2-CD2 3.91Å; L11-Y15 HydrophobicContact CD2-CE2 3.34Å; L11-Y15 HydrophobicContact CG-CD2 4.04Å; L11-Y15 HydrophobicContact CG-CE1 4.26Å; L11-Y15 HydrophobicContact CG-CE2 3.57Å; L11-Y15 WeakPolarHBondContact O-CB 3.16Å; L11-Y15 PolarHBondContact O-N 2.79Å; I12-Y15 PolarHBondContact O-N 3.13Å; Y15-I18 PolarHBondContact O-N 2.82Å; Y15-L19 WeakPolarHBondContact O-CB 3.29Å; Y15-L19 PolarHBondContact O-N 3.47Å; Y15-L143 WeakPolarHBondContact OH-CD1 3.32Å; Y15-V165 HydrophobicContact CD2-CG1 4.14Å; Y15-V165 HydrophobicContact CE2-CG1 4.05Å; Y15-V165 HydrophobicContact CE2-CG2 4.34Å; Y15-M340 HydrophobicContact CD1-SD 4.11Å; Y15-M340 HydrophobicContact CE1-SD 4.02Å
16V81.1Confident78Confident68 Ų6851.9 Ų51.941%0.41227%0.271SS..Hα-helixtrans-64.2-43.7175.51700000110.5I12 L13 L19 I20I12-V16 HydrophobicContact CG2-CG2 4.14Å; I12-V16 WeakPolarHBondContact O-CB 3.43Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 3.17Å; L13-V16 PolarHBondContact O-N 3.22Å; V16-L19 PolarHBondContact O-N 2.92Å; V16-I20 HydrophobicContact CG1-CD1 3.75Å; V16-I20 HydrophobicContact CG1-CG1 4.39Å; V16-I20 WeakPolarHBondContact O-CB 3.44Å; V16-I20 WeakPolarHBondContact O-CG1 3.48Å; V16-I20 PolarHBondContact O-N 3.27Å
17M82.5Confident78.3Confident69 Ų6958.2 Ų58.234%0.3429%0.286SS..Hα-helixtrans-59.3-48.9176.3-177.9-170.471.400111.2L13 F14 L19 I20 V21 V184L13-M17 VanDerWaalsContact O-CB 3.27Å; L13-M17 WeakPolarHBondContact O-CB 3.39Å; L13-M17 PolarHBondContact O-N 2.87Å; F14-M17 HydrophobicContact CD1-CE 3.82Å; F14-M17 HydrophobicContact CE1-CE 4.19Å; F14-M17 PolarHBondContact O-N 2.88Å; M17-L19 VanDerWaalsContact C-N 3.34Å; M17-L19 PolarHBondContact O-N 3.21Å; M17-I20 PolarHBondContact O-N 2.98Å; M17-V21 WeakPolarHBondContact O-CG2 3.42Å; M17-V21 PolarHBondContact O-N 2.99Å; M17-V184 HydrophobicContact CE-CG1 3.68Å; M17-V184 HydrophobicContact SD-CG1 4.46Å
18I81.1Confident78.2Confident4 Ų462.8 Ų62.82%0.02130%0.304CS..Hα-helixtrans-65-41.2179.8-63.9160.9000110.5F14 Y15 I20 V21 G22 T181 Q185 A337 M340F14-I18 WeakPolarHBondContact O-CB 3.32Å; F14-I18 WeakPolarHBondContact O-CD1 3.16Å; F14-I18 WeakPolarHBondContact O-CG1 3.17Å; F14-I18 PolarHBondContact O-N 2.87Å; Y15-I18 PolarHBondContact O-N 2.82Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.3Å; I18-V21 PolarHBondContact O-N 3.17Å; I18-G22 PolarHBondContact O-N 2.67Å; I18-T181 HydrophobicContact CG2-CG2 3.55Å; I18-T181 WeakPolarHBondContact O-CG2 3.49Å; I18-Q185 HydrophobicContact CD1-CG 4.11Å; I18-Q185 HydrophobicContact CG1-CG 4.33Å; I18-A337 HydrophobicContact CD1-CB 3.91Å; I18-M340 HydrophobicContact CB-CE 4.03Å; I18-M340 HydrophobicContact CD1-CE 4.13Å; I18-M340 HydrophobicContact CG2-CE 3.35Å
19L79.7Confident77.6Confident65 Ų6562.1 Ų62.134%0.3430%0.302SS..Hα-helixtrans-61-42.8175.4-176.666.5000111.4Y15 V16 M17 G22 L23Y15-L19 WeakPolarHBondContact O-CB 3.29Å; Y15-L19 PolarHBondContact O-N 3.47Å; V16-L19 PolarHBondContact O-N 2.92Å; M17-L19 VanDerWaalsContact C-N 3.34Å; M17-L19 PolarHBondContact O-N 3.21Å; L19-G22 PolarHBondContact O-N 2.9Å; L19-L23 HydrophobicContact CD1-CD1 4.18Å; L19-L23 HydrophobicContact CD1-CG 4.19Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.33Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 2.87Å
20I84.9Confident76.4Confident106 Ų10666.1 Ų66.154%0.54432%0.316SS..Hα-helixtrans-62.1-46.8176.4-71.5165.3000110.7V16 M17 I18 G22 L23 W24V16-I20 HydrophobicContact CG1-CD1 3.75Å; V16-I20 HydrophobicContact CG1-CG1 4.39Å; V16-I20 WeakPolarHBondContact O-CB 3.44Å; V16-I20 WeakPolarHBondContact O-CG1 3.48Å; V16-I20 PolarHBondContact O-N 3.27Å; M17-I20 PolarHBondContact O-N 2.98Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.3Å; I20-G22 VanDerWaalsContact C-N 3.35Å; I20-L23 PolarHBondContact O-N 3.02Å; I20-W24 VanDerWaalsContact O-CB 3.22Å; I20-W24 WeakPolarHBondContact O-CB 3.38Å; I20-W24 PolarHBondContact O-N 3.49Å
21V84.5Confident75.5Confident31 Ų3171.6 Ų71.619%0.18835%0.354CS..Hα-helixtrans-62.1-44.4177.8172.60000110.7M17 I18 W24 A25 T181 V184M17-V21 WeakPolarHBondContact O-CG2 3.42Å; M17-V21 PolarHBondContact O-N 2.99Å; I18-V21 PolarHBondContact O-N 3.17Å; V21-W24 PolarHBondContact O-N 3.49Å; V21-A25 VanDerWaalsContact O-CB 3.27Å; V21-A25 WeakPolarHBondContact O-CB 3.34Å; V21-A25 PolarHBondContact O-N 2.84Å; V21-T181 HydrophobicContact CB-CG2 4.24Å; V21-T181 HydrophobicContact CG1-CG2 4.03Å; V21-V184 HydrophobicContact CG1-CG2 4.42Å
22G81.3Confident74.4Confident4 Ų475.7 Ų75.74%0.04138%0.38CS..Hα-helixtrans-62.5-48.5178.400000112.4I18 L19 I20 W24 A25 A26 S177I18-G22 PolarHBondContact O-N 2.67Å; L19-G22 PolarHBondContact O-N 2.9Å; I20-G22 VanDerWaalsContact C-N 3.35Å; G22-W24 PolarHBondContact O-N 3.4Å; G22-A25 PolarHBondContact O-N 2.93Å; G22-A26 VanDerWaalsContact O-CB 3.31Å; G22-A26 WeakPolarHBondContact O-CB 3.35Å; G22-A26 PolarHBondContact O-N 3.26Å; G22-S177 WeakPolarHBondContact CA-OG 3.27Å; G22-S177 PolarHBondContact O-OG 3.22Å
23L81.2Confident73.6Confident85 Ų8576 Ų7645%0.44538%0.383SS..Hα-helixtrans-64.5-38.4176.5-69.7175.2000112.3L19 I20 A26 R27L19-L23 HydrophobicContact CD1-CD1 4.18Å; L19-L23 HydrophobicContact CD1-CG 4.19Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.33Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 2.87Å; I20-L23 PolarHBondContact O-N 3.02Å; L23-A26 PolarHBondContact O-N 3.02Å; L23-R27 WeakPolarHBondContact O-CG 3.07Å; L23-R27 PolarHBondContact O-N 3Å
24W84.4Confident73.5Confident134 Ų13472.2 Ų72.251%0.50837%0.369SS..Hα-helixtrans-64.5-43.5174171.384.9000111.8I20 V21 G22 R27 K28 Y180I20-W24 VanDerWaalsContact O-CB 3.22Å; I20-W24 WeakPolarHBondContact O-CB 3.38Å; I20-W24 PolarHBondContact O-N 3.49Å; V21-W24 PolarHBondContact O-N 3.49Å; G22-W24 PolarHBondContact O-N 3.4Å; W24-R27 WeakPolarHBondContact O-CB 3.27Å; W24-R27 PolarHBondContact O-N 3.37Å; W24-K28 HydrophobicContact CH2-CD 4.47Å; W24-Y180 HydrophobicContact CZ3-CD1 4.23Å; W24-Y180 HydrophobicContact CZ3-CE1 4.46Å
25A78.2Confident73.6Confident0 Ų071 Ų710%036%0.363CS..Hα-helixtrans-68.1-37.6177.100000111.9V21 G22 R27 K28 Y180V21-A25 VanDerWaalsContact O-CB 3.27Å; V21-A25 WeakPolarHBondContact O-CB 3.34Å; V21-A25 PolarHBondContact O-N 2.84Å; G22-A25 PolarHBondContact O-N 2.93Å; A25-R27 PolarHBondContact O-N 2.98Å; A25-K28 WeakPolarHBondContact O-CB 3.31Å; A25-K28 PolarHBondContact O-N 3.34Å; A25-Y180 HydrophobicContact CB-CD2 3.91Å; A25-Y180 HydrophobicContact CB-CG 4.07Å
26A71.8Confident73.9Confident31 Ų3171.9 Ų71.926%0.25637%0.369SS..Hα-helixtrans-61.2-29.5174.500000112.4G22 L23 K28 T29G22-A26 VanDerWaalsContact O-CB 3.31Å; G22-A26 WeakPolarHBondContact O-CB 3.35Å; G22-A26 PolarHBondContact O-N 3.26Å; L23-A26 PolarHBondContact O-N 3.02Å; A26-K28 VanDerWaalsContact C-N 3.27Å; A26-K28 PolarHBondContact O-N 2.81Å; A26-T29 VanDerWaalsContact O-CB 3.31Å; A26-T29 WeakPolarHBondContact O-CB 3.14Å; A26-T29 PolarHBondContact O-N 2.92Å
27R73.9Confident73.9Confident215 Ų21570.4 Ų70.481%0.81136%0.357SS*.THydrogen-bonded Turntrans-71-18.8172.6-69.5175.7-178.1-179.21.4113.7L23 W24 A25 T29L23-R27 WeakPolarHBondContact O-CG 3.07Å; L23-R27 PolarHBondContact O-N 3Å; W24-R27 WeakPolarHBondContact O-CB 3.27Å; W24-R27 PolarHBondContact O-N 3.37Å; A25-R27 PolarHBondContact O-N 2.98Å; R27-T29 VanDerWaalsContact C-N 3.31Å
28K68.2Low73.9Confident102 Ų10268.3 Ų68.344%0.44335%0.349SS..THydrogen-bonded Turntrans-77.2-20.6174.9-73.1-168.1172.2-173.80113.1W24 A25 A26 K30W24-K28 HydrophobicContact CH2-CD 4.47Å; A25-K28 WeakPolarHBondContact O-CB 3.31Å; A25-K28 PolarHBondContact O-N 3.34Å; A26-K28 VanDerWaalsContact C-N 3.27Å; A26-K28 PolarHBondContact O-N 2.81Å; K28-K30 PolarHBondContact O-N 3.46Å
29T59Low73.9Confident37 Ų3768.1 Ų68.123%0.22735%0.348CS..SBendtrans-63.290.7162.3-61.40000106.9A26 R27 S31 E37A26-T29 VanDerWaalsContact O-CB 3.31Å; A26-T29 WeakPolarHBondContact O-CB 3.14Å; A26-T29 PolarHBondContact O-N 2.92Å; R27-T29 VanDerWaalsContact C-N 3.31Å; T29-S31 PolarHBondContact O-N 3.33Å; T29-E37 HydrophobicContact CG2-CB 4.44Å; T29-E37 HydrophobicContact CG2-CG 3.35Å
30K51.7Low74.1Confident171 Ų17165 Ų6574%0.74333%0.331SS*.  trans-51.6142.1172.3-71.6-175.3176-176.40107.2K28 T32K28-K30 PolarHBondContact O-N 3.46Å; K30-T32 PolarHBondContact O-N 3.16Å; K30-T32 PolarHBondContact O-OG1 3.35Å; K30-T32 VanDerWaalsContact O-OG1 3.04Å
31S51Low74Confident119 Ų11960 Ų6083%0.83231%0.306SS*.SBendtrans-58.831.2-173.3-53.40000117T29 D33T29-S31 PolarHBondContact O-N 3.33Å; S31-D33 PolarHBondContact O-N 3.19Å
32T53.7Low73.8Confident96 Ų9660 Ų6059%0.58931%0.312SS*.  trans-68.6104.1158.820.70000108.2K30 G34K30-T32 PolarHBondContact O-N 3.16Å; K30-T32 PolarHBondContact O-OG1 3.35Å; K30-T32 VanDerWaalsContact O-OG1 3.04Å; T32-G34 PolarHBondContact O-N 3.4Å
33D61.4Low73.9Confident93 Ų9361.8 Ų61.850%0.49732%0.317SS..  trans-57.718.2175-76.3-25.7000114.7S31 E369 K370S31-D33 PolarHBondContact O-N 3.19Å; D33-E369 VanDerWaalsContact O-CB 3.26Å; D33-E369 WeakPolarHBondContact O-CB 3.37Å; D33-K370 WeakPolarHBondContact OD2-CE 3.11Å; D33-K370 IonicContact OD2-NZ 2.9Å; D33-K370 PolarHBondContact OD2-NZ 3.34Å
34G76.8Confident74.1Confident23 Ų2361.7 Ų61.724%0.23732%0.317CS..  trans-80.5131.1-17500000112.5T32 E36 E37T32-G34 PolarHBondContact O-N 3.4Å; G34-E36 PolarHBondContact O-N 3.39Å; G34-E37 WeakPolarHBondContact O-CB 3.34Å; G34-E37 PolarHBondContact O-N 2.9Å
35S82Confident74.2Confident3 Ų355.4 Ų55.42%0.02129%0.294CS..Hα-helixtrans-57.5-34176.260.40000112.7E37 V38 M39 E369S35-E37 VanDerWaalsContact C-N 3.26Å; S35-E37 PolarHBondContact O-N 3.46Å; S35-V38 PolarHBondContact O-N 2.98Å; S35-M39 WeakPolarHBondContact O-CB 3.4Å; S35-M39 WeakPolarHBondContact O-CG 3.48Å; S35-M39 PolarHBondContact O-N 2.89Å; S35-E369 WeakPolarHBondContact CB-OE2 3.42Å; S35-E369 PolarHBondContact N-OE2 2.54Å; S35-E369 PolarHBondContact OG-OE2 2.91Å
36E83.3Confident74.7Confident54 Ų5456.7 Ų56.725%0.25231%0.307SS..Hα-helixtrans-63.1-30.5176.6-175.3165.8-167.500112.8G34 L40 R43G34-E36 PolarHBondContact O-N 3.39Å; E36-L40 HydrophobicContact CG-CB 4.24Å; E36-L40 HydrophobicContact CG-CD1 4.22Å; E36-L40 WeakPolarHBondContact O-CA 3.48Å; E36-L40 WeakPolarHBondContact O-CB 3.32Å; E36-L40 PolarHBondContact O-N 2.92Å; E36-R43 IonicContact OE1-CZ 2.79Å; E36-R43 IonicContact OE1-NE 3.83Å; E36-R43 PolarHBondContact OE1-NE 3.48Å; E36-R43 IonicContact OE1-NH2 2.79Å; E36-R43 PolarHBondContact OE1-NH2 3.41Å
37E82.3Confident75.6Confident36 Ų3658.8 Ų58.817%0.16831%0.314CS..Hα-helixtrans-68.5-40.4176.3-169.362.7-152.800110.8T29 G34 S35 A41 G42 Y176T29-E37 HydrophobicContact CG2-CB 4.44Å; T29-E37 HydrophobicContact CG2-CG 3.35Å; G34-E37 WeakPolarHBondContact O-CB 3.34Å; G34-E37 PolarHBondContact O-N 2.9Å; S35-E37 VanDerWaalsContact C-N 3.26Å; S35-E37 PolarHBondContact O-N 3.46Å; E37-A41 WeakPolarHBondContact O-CA 3.42Å; E37-A41 PolarHBondContact O-N 3.46Å; E37-G42 WeakPolarHBondContact OE2-CA 3.21Å; E37-G42 PolarHBondContact OE2-N 3.4Å; E37-Y176 WeakPolarHBondContact OE1-CE2 3.29Å
38V81.2Confident76.5Confident26 Ų2654.6 Ų54.616%0.15831%0.306CS..Hα-helixtrans-73.8-40.1178.1-167.80000111.3S35 L175 I373 M376S35-V38 PolarHBondContact O-N 2.98Å; V38-L175 PolarHBondContact O-N 3.06Å; V38-I373 HydrophobicContact CG2-CD1 3.98Å; V38-I373 HydrophobicContact CG2-CG1 4.17Å; V38-M376 HydrophobicContact CB-CE 3.96Å; V38-M376 HydrophobicContact CG1-CE 3.28Å
39M82Confident77.6Confident0 Ų050.8 Ų50.80%029%0.291CS..Hα-helixtrans-80.8-35.3-176-66.8172.775.200113.7S35 V106 T107 L175 Q248 S352 R356 M376S35-M39 WeakPolarHBondContact O-CB 3.4Å; S35-M39 WeakPolarHBondContact O-CG 3.48Å; S35-M39 PolarHBondContact O-N 2.89Å; M39-V106 HydrophobicContact CB-CG1 4.5Å; M39-V106 HydrophobicContact CE-CG1 3.72Å; M39-V106 HydrophobicContact SD-CG1 4.01Å; M39-T107 HydrophobicContact CE-CG2 3.77Å; M39-L175 WeakPolarHBondContact O-CD2 3.49Å; M39-Q248 WeakPolarHBondContact O-CG 3.36Å; M39-Q248 PolarHBondContact O-NE2 2.96Å; M39-S352 WeakPolarHBondContact CE-O 3.32Å; M39-R356 HydrophobicContact CE-CB 3.68Å; M39-R356 HydrophobicContact CE-CG 4.29Å; M39-M376 HydrophobicContact CG-SD 3.94Å
40L83.1Confident79.3Confident0 Ų049 Ų490%028%0.281CS..Hα-helixtrans-126.68.7-172.3-67.2-170.8000114.4E36 G42 R43 V106 Q248 L251 S252E36-L40 HydrophobicContact CG-CB 4.24Å; E36-L40 HydrophobicContact CG-CD1 4.22Å; E36-L40 WeakPolarHBondContact O-CA 3.48Å; E36-L40 WeakPolarHBondContact O-CB 3.32Å; E36-L40 PolarHBondContact O-N 2.92Å; L40-G42 PolarHBondContact O-N 2.69Å; L40-R43 HydrophobicContact CB-CG 4.34Å; L40-R43 HydrophobicContact CD1-CG 4.24Å; L40-R43 PolarHBondContact O-N 3.22Å; L40-V106 HydrophobicContact CD1-CB 4.35Å; L40-V106 HydrophobicContact CD1-CG1 4.2Å; L40-V106 HydrophobicContact CD1-CG2 4.34Å; L40-V106 HydrophobicContact CG-CG1 4.28Å; L40-Q248 HydrophobicContact CD2-CG 4.19Å; L40-L251 HydrophobicContact CD1-CB 4.07Å; L40-L251 HydrophobicContact CD2-CB 3.75Å; L40-S252 WeakPolarHBondContact O-CA 3.06Å; L40-S252 VanDerWaalsContact O-CB 3.22Å; L40-S252 WeakPolarHBondContact O-CB 3.47Å
41A82.2Confident81.3Confident0 Ų042.4 Ų42.40%025%0.253CS..G310 helixtrans53.439.1-179.800000112.3E37 R43 N44 I45 L175 Y176E37-A41 WeakPolarHBondContact O-CA 3.42Å; E37-A41 PolarHBondContact O-N 3.46Å; A41-R43 PolarHBondContact O-N 2.96Å; A41-N44 PolarHBondContact O-N 3.47Å; A41-I45 HydrophobicContact CB-CD1 3.87Å; A41-I45 HydrophobicContact CB-CG1 3.77Å; A41-L175 HydrophobicContact CB-CB 4.13Å; A41-L175 HydrophobicContact CB-CD2 4.04Å; A41-L175 HydrophobicContact CB-CG 4.12Å; A41-Y176 HydrophobicContact CB-CD1 4.09Å; A41-Y176 HydrophobicContact CB-CD2 3.4Å; A41-Y176 VanDerWaalsContact CB-CD2 3.4Å; A41-Y176 HydrophobicContact CB-CE1 4.25Å; A41-Y176 HydrophobicContact CB-CE2 3.6Å; A41-Y176 HydrophobicContact CB-CG 3.66Å; A41-Y176 WeakPolarHBondContact O-CE2 3.23Å
42G80.3Confident83.4Confident31 Ų3138 Ų3832%0.3222%0.221SC..G310 helixtrans60.316.5-18000000114.5E37 L40 N44E37-G42 WeakPolarHBondContact OE2-CA 3.21Å; E37-G42 PolarHBondContact OE2-N 3.4Å; L40-G42 PolarHBondContact O-N 2.69Å; G42-N44 PolarHBondContact O-N 3.09Å
43R84.7Confident85.3Confident41 Ų4133.4 Ų33.416%0.15519%0.194CC..G310 helixtrans54.828-171.1-50.2-171.9-173.2-163.5-1.7114.5E36 L40 A41 G104 Y105 L251 S252 S253 K254E36-R43 IonicContact OE1-CZ 2.79Å; E36-R43 IonicContact OE1-NE 3.83Å; E36-R43 PolarHBondContact OE1-NE 3.48Å; E36-R43 IonicContact OE1-NH2 2.79Å; E36-R43 PolarHBondContact OE1-NH2 3.41Å; L40-R43 HydrophobicContact CB-CG 4.34Å; L40-R43 HydrophobicContact CD1-CG 4.24Å; L40-R43 PolarHBondContact O-N 3.22Å; A41-R43 PolarHBondContact O-N 2.96Å; R43-G104 VanDerWaalsContact NH1-CA 3.26Å; R43-G104 PolarHBondContact NH2-O 3.17Å; R43-Y105 PolarHBondContact NH2-O 3.03Å; R43-L251 WeakPolarHBondContact CG-O 3.32Å; R43-S252 CarbonylContact C-O 3.22Å; R43-S252 WeakPolarHBondContact CA-O 3.22Å; R43-S253 CarbonylContact O-C 3.59Å; R43-K254 WeakPolarHBondContact O-CA 2.96Å; R43-K254 WeakPolarHBondContact O-CG 3.34Å; R43-K254 PolarHBondContact O-N 3.38Å
44N85.4Confident86.9Confident83 Ų8329 Ų2944%0.44417%0.17SC..  trans-11316.1-169.1-164.529.7000112.4A41 G42 G46 Y176 K254A41-N44 PolarHBondContact O-N 3.47Å; G42-N44 PolarHBondContact O-N 3.09Å; N44-G46 PolarHBondContact O-N 2.86Å; N44-Y176 WeakPolarHBondContact CB-OH 3.49Å; N44-K254 VanDerWaalsContact O-CE 3.27Å; N44-K254 WeakPolarHBondContact O-CE 3.49Å; N44-K254 WeakPolarHBondContact OD1-CE 3.37Å; N44-K254 PolarHBondContact OD1-NZ 2.67Å
45I85.9Confident87.8Confident2 Ų228.2 Ų28.21%0.0116%0.16CC..BIsolated β-bridgetrans-63.6129.6177.8-63.4-166.2000110.6A41 V49 L175 A179 S252A41-I45 HydrophobicContact CB-CD1 3.87Å; A41-I45 HydrophobicContact CB-CG1 3.77Å; I45-V49 HydrophobicContact CG2-CB 4.13Å; I45-V49 HydrophobicContact CG2-CG1 4.09Å; I45-L175 HydrophobicContact CD1-CD2 4.2Å; I45-L175 HydrophobicContact CD1-CG 4.35Å; I45-A179 HydrophobicContact CD1-CB 3.9Å; I45-S252 WeakPolarHBondContact CD1-OG 3.38Å; I45-S252 PolarHBondContact N-O 2.99Å
46G88.1Confident88.4Confident28 Ų2828 Ų2829%0.28916%0.159SC..  trans-71.8163177.200000112.4N44 I48 G50N44-G46 PolarHBondContact O-N 2.86Å; G46-I48 PolarHBondContact O-N 3.4Å; G46-G50 PolarHBondContact O-N 3.03Å
47L91.2Very high88.9Confident74 Ų7425.5 Ų25.539%0.38715%0.148SC..Hα-helixtrans-60.4-50.7-174.7179.461.2000113.1G50 I51 V261 F262L47-G50 PolarHBondContact O-N 3.28Å; L47-I51 HydrophobicContact CD1-CD1 3.81Å; L47-I51 HydrophobicContact CD1-CG1 4.28Å; L47-I51 HydrophobicContact CG-CD1 3.97Å; L47-I51 WeakPolarHBondContact O-CG1 3.25Å; L47-I51 PolarHBondContact O-N 3.32Å; L47-V261 HydrophobicContact CD1-CB 4.38Å; L47-V261 HydrophobicContact CD1-CG1 3.84Å; L47-F262 HydrophobicContact CD1-CD1 3.95Å; L47-F262 HydrophobicContact CD1-CE1 3.66Å
48I93Very high89.4Confident128 Ų12824.1 Ų24.166%0.65614%0.141SC*.Hα-helixtrans-63-50.3-178.4-61.9171.7000110.3G46 G50 I51 C52G46-I48 PolarHBondContact O-N 3.4Å; I48-G50 VanDerWaalsContact C-N 3.29Å; I48-G50 PolarHBondContact O-N 3.38Å; I48-I51 PolarHBondContact O-N 3.02Å; I48-C52 WeakPolarHBondContact O-CB 3.44Å; I48-C52 PolarHBondContact O-N 3.34Å; I48-C52 PolarHBondContact O-SG 3.27Å; I48-C52 VanDerWaalsContact O-SG 3.34Å
49V91.9Very high90Very high22 Ų2222.9 Ų22.913%0.13313%0.133CC..Hα-helixtrans-59.1-42.9178.5-178.90000110.6I45 C52 T53 A179 Y180 V183I45-V49 HydrophobicContact CG2-CB 4.13Å; I45-V49 HydrophobicContact CG2-CG1 4.09Å; V49-C52 PolarHBondContact O-N 2.93Å; V49-T53 WeakPolarHBondContact O-CB 3.4Å; V49-T53 WeakPolarHBondContact O-CG2 3.22Å; V49-T53 PolarHBondContact O-N 3.4Å; V49-A179 HydrophobicContact CG1-CB 4.03Å; V49-Y180 HydrophobicContact CG2-CE1 3.98Å; V49-V183 HydrophobicContact CB-CG2 4.47Å; V49-V183 HydrophobicContact CG1-CG2 4.12Å; V49-V183 HydrophobicContact CG2-CG2 4.46Å
50G93.1Very high90.3Very high0 Ų022.9 Ų22.90%013%0.133CC..Hα-helixtrans-63.2-39.9178.600000114.1G46 L47 I48 T53 M54G46-G50 PolarHBondContact O-N 3.03Å; L47-G50 PolarHBondContact O-N 3.28Å; I48-G50 VanDerWaalsContact C-N 3.29Å; I48-G50 PolarHBondContact O-N 3.38Å; G50-T53 WeakPolarHBondContact O-CG2 3.46Å; G50-M54 WeakPolarHBondContact O-CB 3.39Å; G50-M54 PolarHBondContact O-N 2.92Å; G50-M54 VanDerWaalsContact O-N 3.09Å
51I94.8Very high90.6Very high31 Ų3122.9 Ų22.916%0.15913%0.133CC..Hα-helixtrans-67.6-50.6173.8-68.8164.6000110L47 I48 T53 M54 T55 V261 F262 V265L47-I51 HydrophobicContact CD1-CD1 3.81Å; L47-I51 HydrophobicContact CD1-CG1 4.28Å; L47-I51 HydrophobicContact CG-CD1 3.97Å; L47-I51 WeakPolarHBondContact O-CG1 3.25Å; L47-I51 PolarHBondContact O-N 3.32Å; I48-I51 PolarHBondContact O-N 3.02Å; I51-T53 PolarHBondContact O-N 3.19Å; I51-M54 PolarHBondContact O-N 3.37Å; I51-T55 PolarHBondContact O-N 3.39Å; I51-T55 PolarHBondContact O-OG1 3Å; I51-V261 HydrophobicContact CD1-CG1 4.3Å; I51-F262 HydrophobicContact CG1-CD1 4.1Å; I51-V265 HydrophobicContact CD1-CB 4.17Å; I51-V265 HydrophobicContact CD1-CG1 4.16Å; I51-V265 HydrophobicContact CD1-CG2 4.27Å; I51-V265 HydrophobicContact CG1-CB 4.17Å; I51-V265 HydrophobicContact CG1-CG1 4.39Å; I51-V265 HydrophobicContact CG2-CB 3.93Å; I51-V265 HydrophobicContact CG2-CG1 3.47Å; I51-V265 VanDerWaalsContact CG2-CG1 3.47Å
52C94.7Very high91Very high26 Ų2622.9 Ų22.918%0.17613%0.133CC..Hα-helixtrans-62-46.3-177.5-69.80000112I48 V49 T55 A56 V183 L186I48-C52 WeakPolarHBondContact O-CB 3.44Å; I48-C52 PolarHBondContact O-N 3.34Å; I48-C52 PolarHBondContact O-SG 3.27Å; I48-C52 VanDerWaalsContact O-SG 3.34Å; V49-C52 PolarHBondContact O-N 2.93Å; C52-T55 PolarHBondContact O-N 3.49Å; C52-A56 VanDerWaalsContact O-CB 3.23Å; C52-A56 WeakPolarHBondContact O-CB 3.46Å; C52-A56 PolarHBondContact O-N 3.35Å; C52-V183 HydrophobicContact CB-CB 4.27Å; C52-V183 HydrophobicContact CB-CG1 4.23Å; C52-V183 HydrophobicContact CB-CG2 3.8Å; C52-L186 HydrophobicContact CB-CD2 4.15Å
53T93.4Very high91.7Very high1 Ų121.4 Ų21.41%0.00612%0.118CC..Hα-helixtrans-63.4-44.4176.5-174.30000111.1V49 G50 I51 T55 A56 T57 A179 D182 R249V49-T53 WeakPolarHBondContact O-CB 3.4Å; V49-T53 WeakPolarHBondContact O-CG2 3.22Å; V49-T53 PolarHBondContact O-N 3.4Å; G50-T53 WeakPolarHBondContact O-CG2 3.46Å; I51-T53 PolarHBondContact O-N 3.19Å; T53-T55 VanDerWaalsContact C-N 3.32Å; T53-T55 PolarHBondContact O-N 3.11Å; T53-A56 PolarHBondContact O-N 3.38Å; T53-T57 VanDerWaalsContact O-CB 3.23Å; T53-T57 WeakPolarHBondContact O-CB 3.35Å; T53-T57 PolarHBondContact O-N 3.31Å; T53-T57 PolarHBondContact O-OG1 3.49Å; T53-A179 HydrophobicContact CG2-CB 4.25Å; T53-D182 WeakPolarHBondContact CB-OD2 3.28Å; T53-D182 PolarHBondContact OG1-OD2 3.29Å; T53-R249 HydrophobicContact CG2-CG 4.46Å; T53-R249 PolarHBondContact OG1-NE 3.13Å; T53-R249 PolarHBondContact OG1-NH2 2.85Å
54M95.3Very high92.2Very high1 Ų119.5 Ų19.51%0.00511%0.111CC..Hα-helixtrans-58.9-44.3176.5-173.576.484.600111.1G50 I51 W58 L89 Y246 R249 V250 F262 A266G50-M54 WeakPolarHBondContact O-CB 3.39Å; G50-M54 PolarHBondContact O-N 2.92Å; G50-M54 VanDerWaalsContact O-N 3.09Å; I51-M54 PolarHBondContact O-N 3.37Å; M54-W58 VanDerWaalsContact O-CD1 3.25Å; M54-L89 HydrophobicContact CG-CD2 4.26Å; M54-L89 HydrophobicContact SD-CD2 4.11Å; M54-Y246 HydrophobicContact CE-CD2 3.82Å; M54-Y246 HydrophobicContact CE-CE2 3.78Å; M54-Y246 HydrophobicContact SD-CD2 3.66Å; M54-Y246 HydrophobicContact SD-CE2 4.12Å; M54-R249 HydrophobicContact CE-CB 3.43Å; M54-R249 VanDerWaalsContact CE-CB 3.43Å; M54-R249 HydrophobicContact CE-CG 4.44Å; M54-R249 HydrophobicContact SD-CB 3.68Å; M54-R249 HydrophobicContact SD-CG 4.07Å; M54-V250 HydrophobicContact CE-CG2 4.02Å; M54-F262 HydrophobicContact CE-CB 3.98Å; M54-A266 HydrophobicContact CB-CB 3.75Å; M54-A266 HydrophobicContact CG-CB 3.35Å
55T96Very high92.7Very high5 Ų515.6 Ų15.63%0.0319%0.09CC..Hα-helixtrans-65.7-52176.6-52.30000111.9I51 C52 T53 T57 W58 V59 L186 A266 M273I51-T55 PolarHBondContact O-N 3.39Å; I51-T55 PolarHBondContact O-OG1 3Å; C52-T55 PolarHBondContact O-N 3.49Å; T53-T55 VanDerWaalsContact C-N 3.32Å; T53-T55 PolarHBondContact O-N 3.11Å; T55-T57 VanDerWaalsContact C-N 3.28Å; T55-T57 PolarHBondContact O-N 2.96Å; T55-W58 PolarHBondContact O-N 3.41Å; T55-W58 VanDerWaalsContact O-N 3.13Å; T55-V59 HydrophobicContact CG2-CG2 4.03Å; T55-V59 VanDerWaalsContact O-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.45Å; T55-V59 PolarHBondContact O-N 2.63Å; T55-L186 HydrophobicContact CG2-CD1 3.86Å; T55-L186 HydrophobicContact CG2-CD2 4.21Å; T55-A266 WeakPolarHBondContact OG1-CA 3.35Å; T55-M273 HydrophobicContact CG2-CG 4.23Å
56A94.2Very high93.1Very high0 Ų015.5 Ų15.50%09%0.09CC..Hα-helixtrans-58.4-42-175.100000112C52 T53 W58 V59 D182 L186C52-A56 VanDerWaalsContact O-CB 3.23Å; C52-A56 WeakPolarHBondContact O-CB 3.46Å; C52-A56 PolarHBondContact O-N 3.35Å; T53-A56 PolarHBondContact O-N 3.38Å; A56-W58 PolarHBondContact O-N 3.02Å; A56-V59 CarbonylContact O-C 3.53Å; A56-V59 PolarHBondContact O-N 2.93Å; A56-V59 VanDerWaalsContact O-N 3.08Å; A56-D182 HydrophobicContact CB-CB 3.74Å; A56-L186 HydrophobicContact CB-CB 4.07Å; A56-L186 HydrophobicContact CB-CD1 4.22Å
57T93.1Very high93.6Very high1 Ų114.1 Ų14.11%0.0068%0.076CC..Hα-helixtrans-59.8-35.4-179.9-64.30000112.6T53 T55 W135 D182 V245 R249 S342 S345T53-T57 VanDerWaalsContact O-CB 3.23Å; T53-T57 WeakPolarHBondContact O-CB 3.35Å; T53-T57 PolarHBondContact O-N 3.31Å; T53-T57 PolarHBondContact O-OG1 3.49Å; T55-T57 VanDerWaalsContact C-N 3.28Å; T55-T57 PolarHBondContact O-N 2.96Å; T57-W135 HydrophobicContact CG2-CH2 4.01Å; T57-W135 WeakPolarHBondContact O-CH2 3.48Å; T57-W135 WeakPolarHBondContact O-CZ2 3.43Å; T57-D182 PolarHBondContact OG1-OD2 2.76Å; T57-V245 HydrophobicContact CG2-CB 4.44Å; T57-V245 HydrophobicContact CG2-CG1 3.01Å; T57-R249 PolarHBondContact OG1-NH2 3.5Å; T57-R249 VanDerWaalsContact OG1-NH2 3.11Å; T57-S342 WeakPolarHBondContact O-CB 3.42Å; T57-S342 PolarHBondContact O-OG 3.46Å; T57-S345 VanDerWaalsContact CG2-CB 3.48Å; T57-S345 PolarHBondContact OG1-OG 3.46Å
58W93.1Very high93.9Very high6 Ų610.6 Ų10.62%0.0236%0.057CC..Hα-helixtrans-82.7-30.4174.9-76.284.8000113M54 T55 A56 G60 Y63 Y85 L89 G240M54-W58 VanDerWaalsContact O-CD1 3.25Å; T55-W58 PolarHBondContact O-N 3.41Å; T55-W58 VanDerWaalsContact O-N 3.13Å; A56-W58 PolarHBondContact O-N 3.02Å; W58-G60 PolarHBondContact O-N 3.09Å; W58-Y63 VanDerWaalsContact O-CB 3.31Å; W58-Y63 WeakPolarHBondContact O-CB 3.39Å; W58-Y63 VanDerWaalsContact O-CD2 3.3Å; W58-Y63 WeakPolarHBondContact O-CD2 3.29Å; W58-Y85 HydrophobicContact CE3-CD1 4.12Å; W58-Y85 HydrophobicContact CE3-CD2 4.3Å; W58-Y85 AromaticContact CE3-CG 3.78Å; W58-Y85 HydrophobicContact CE3-CG 3.78Å; W58-Y85 AromaticContact CH2-CD1 3.76Å; W58-Y85 HydrophobicContact CH2-CD1 3.76Å; W58-Y85 HydrophobicContact CH2-CE1 4.27Å; W58-Y85 HydrophobicContact CH2-CG 4.26Å; W58-Y85 AromaticContact CZ3-CD1 3.17Å; W58-Y85 HydrophobicContact CZ3-CD1 3.17Å; W58-Y85 HydrophobicContact CZ3-CD2 4.02Å; W58-Y85 AromaticContact CZ3-CE1 3.73Å; W58-Y85 HydrophobicContact CZ3-CE1 3.73Å; W58-Y85 HydrophobicContact CZ3-CE2 4.49Å; W58-Y85 AromaticContact CZ3-CG 3.31Å; W58-Y85 HydrophobicContact CZ3-CG 3.31Å; W58-L89 HydrophobicContact CD2-CD1 4.48Å; W58-L89 HydrophobicContact CG-CD1 4.17Å; W58-L89 HydrophobicContact CZ2-CD2 4.21Å; W58-L89 HydrophobicContact CZ2-CG 4.47Å; W58-G240 WeakPolarHBondContact CH2-O 3.36Å
59V93.6Very high94.1Very high0 Ų04.9 Ų4.90%03%0.028CC..SBendtrans-81.963.4178.4-179.50000110.1T55 A56 Y63 I64 M273T55-V59 HydrophobicContact CG2-CG2 4.03Å; T55-V59 VanDerWaalsContact O-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.45Å; T55-V59 PolarHBondContact O-N 2.63Å; A56-V59 CarbonylContact O-C 3.53Å; A56-V59 PolarHBondContact O-N 2.93Å; A56-V59 VanDerWaalsContact O-N 3.08Å; V59-Y63 HydrophobicContact CB-CD1 4.41Å; V59-Y63 HydrophobicContact CG1-CD1 4.2Å; V59-Y63 HydrophobicContact CG2-CD1 4.3Å; V59-Y63 HydrophobicContact CG2-CE1 4.14Å; V59-I64 HydrophobicContact CG1-CD1 3.93Å; V59-I64 HydrophobicContact CG1-CG1 4.12Å; V59-M273 HydrophobicContact CB-CB 4.46Å; V59-M273 HydrophobicContact CG1-CB 3.85Å; V59-M273 HydrophobicContact CG1-CE 3.93Å; V59-M273 HydrophobicContact CG1-CG 4.38Å; V59-M273 HydrophobicContact CG2-CB 3.66Å; V59-M273 HydrophobicContact CG2-CG 4.05Å
60G90Very high94.3Very high0 Ų04.9 Ų4.90%03%0.027CC..SBendtrans-99.8-164.4-176.700000115.8W58 Y63 I64 S342W58-G60 PolarHBondContact O-N 3.09Å; G60-Y63 WeakPolarHBondContact O-CB 3.35Å; G60-Y63 PolarHBondContact O-N 3.2Å; G60-I64 WeakPolarHBondContact O-CB 3.37Å; G60-I64 WeakPolarHBondContact O-CG1 3.29Å; G60-I64 PolarHBondContact O-N 2.87Å; G60-S342 WeakPolarHBondContact CA-OG 3.49Å; G60-S342 PolarHBondContact N-OG 3.41Å
61G89.1Confident94.5Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-61.6-4817600000114Y63 I64 N65 G66 A142G61-Y63 PolarHBondContact O-N 3.08Å; G61-I64 PolarHBondContact O-N 3.22Å; G61-N65 WeakPolarHBondContact O-CA 3.26Å; G61-N65 VanDerWaalsContact O-CB 3.26Å; G61-N65 WeakPolarHBondContact O-CB 3.41Å; G61-N65 PolarHBondContact O-N 2.97Å; G61-G66 PolarHBondContact O-N 3.24Å; G61-A142 VanDerWaalsContact CA-CB 3.43Å
62G91.2Very high94.6Very high0 Ų03.9 Ų3.90%02%0.021CC..Hα-helixtrans-56.8-39.2172.300000112.5G66 W401G62-G66 WeakPolarHBondContact O-CA 3.47Å; G62-G66 PolarHBondContact O-N 2.59Å; G62-G66 VanDerWaalsContact O-N 3.11Å; G62-W401 VanDerWaalsContact C-CD2 3.5Å; G62-W401 VanDerWaalsContact C-CE3 3.41Å; G62-W401 WeakPolarHBondContact O-CZ3 3.28Å
63Y94.5Very high94.6Very high1 Ų16.4 Ų6.40%0.0043%0.033CC..Hα-helixtrans-69.6-49.1-178.7-164-85000112.9W58 V59 G60 G61 S67 P82 C270 V274 W401W58-Y63 VanDerWaalsContact O-CB 3.31Å; W58-Y63 WeakPolarHBondContact O-CB 3.39Å; W58-Y63 VanDerWaalsContact O-CD2 3.3Å; W58-Y63 WeakPolarHBondContact O-CD2 3.29Å; V59-Y63 HydrophobicContact CB-CD1 4.41Å; V59-Y63 HydrophobicContact CG1-CD1 4.2Å; V59-Y63 HydrophobicContact CG2-CD1 4.3Å; V59-Y63 HydrophobicContact CG2-CE1 4.14Å; G60-Y63 WeakPolarHBondContact O-CB 3.35Å; G60-Y63 PolarHBondContact O-N 3.2Å; G61-Y63 PolarHBondContact O-N 3.08Å; Y63-S67 WeakPolarHBondContact O-CB 3.3Å; Y63-S67 PolarHBondContact O-N 3.08Å; Y63-S67 PolarHBondContact O-OG 3.42Å; Y63-P82 HydrophobicContact CE1-CB 4.47Å; Y63-P82 HydrophobicContact CE2-CB 3.8Å; Y63-P82 HydrophobicContact CE2-CG 4.31Å; Y63-C270 HydrophobicContact CE2-CB 4.36Å; Y63-C270 PolarHBondContact OH-O 3.47Å; Y63-V274 HydrophobicContact CD1-CB 4.49Å; Y63-V274 HydrophobicContact CD1-CG2 4.43Å; Y63-V274 HydrophobicContact CE1-CB 3.47Å; Y63-V274 VanDerWaalsContact CE1-CB 3.47Å; Y63-V274 HydrophobicContact CE1-CG2 3.78Å; Y63-V274 WeakPolarHBondContact OH-CB 3.41Å; Y63-W401 AromaticContact CD2-CH2 3.42Å; Y63-W401 HydrophobicContact CD2-CH2 3.42Å; Y63-W401 VanDerWaalsContact CD2-CH2 3.42Å; Y63-W401 AromaticContact CD2-CZ2 3.53Å; Y63-W401 HydrophobicContact CD2-CZ2 3.53Å; Y63-W401 HydrophobicContact CE2-CH2 4.15Å; Y63-W401 HydrophobicContact CE2-CZ2 4.43Å; Y63-W401 AromaticContact CG-CH2 3.96Å; Y63-W401 HydrophobicContact CG-CH2 3.96Å; Y63-W401 HydrophobicContact CG-CZ2 4.18Å
64I95Very high94.6Very high0 Ų08.7 Ų8.70%05%0.049CC..Hα-helixtrans-83-61.4-174.2-67.1168.7000109.9V59 G60 G61 S67 A68 I189 L193 L315 V335 A338V59-I64 HydrophobicContact CG1-CD1 3.93Å; V59-I64 HydrophobicContact CG1-CG1 4.12Å; G60-I64 WeakPolarHBondContact O-CB 3.37Å; G60-I64 WeakPolarHBondContact O-CG1 3.29Å; G60-I64 PolarHBondContact O-N 2.87Å; G61-I64 PolarHBondContact O-N 3.22Å; I64-S67 PolarHBondContact O-N 3.48Å; I64-A68 PolarHBondContact O-N 3.16Å; I64-I189 HydrophobicContact CD1-CG2 3.62Å; I64-L193 HydrophobicContact CD1-CD1 4.39Å; I64-L193 HydrophobicContact CG2-CD1 3.95Å; I64-L315 HydrophobicContact CG2-CD1 3.41Å; I64-L315 VanDerWaalsContact CG2-CD1 3.41Å; I64-L315 HydrophobicContact CG2-CD2 4.23Å; I64-L315 HydrophobicContact CG2-CG 4.48Å; I64-V335 HydrophobicContact CG2-CG2 4.34Å; I64-A338 HydrophobicContact CD1-CB 3.51Å
65N95.1Very high94.7Very high1 Ų18.7 Ų8.71%0.0055%0.049CC..Hα-helixtrans-67.5-44.3-177.2-58.148.6000110.6G61 S67 A68 E69 A142 V335 I397G61-N65 WeakPolarHBondContact O-CA 3.26Å; G61-N65 VanDerWaalsContact O-CB 3.26Å; G61-N65 WeakPolarHBondContact O-CB 3.41Å; G61-N65 PolarHBondContact O-N 2.97Å; N65-S67 PolarHBondContact O-N 3.22Å; N65-A68 PolarHBondContact O-N 2.94Å; N65-E69 WeakPolarHBondContact O-CB 3.49Å; N65-E69 PolarHBondContact O-N 3.44Å; N65-A142 HydrophobicContact CB-CB 3.9Å; N65-A142 PolarHBondContact ND2-O 2.79Å; N65-V335 WeakPolarHBondContact OD1-CG1 3.09Å; N65-I397 HydrophobicContact CB-CD1 3.94Å; N65-I397 HydrophobicContact CB-CG2 4.35Å
66G95.4Very high94.7Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-64.9-36.3-179.900000113G61 G62 E69 I70 Y398G61-G66 PolarHBondContact O-N 3.24Å; G62-G66 WeakPolarHBondContact O-CA 3.47Å; G62-G66 PolarHBondContact O-N 2.59Å; G62-G66 VanDerWaalsContact O-N 3.11Å; G66-E69 PolarHBondContact O-N 3.02Å; G66-I70 WeakPolarHBondContact O-CG2 3.44Å; G66-I70 PolarHBondContact O-N 3.15Å; G66-Y398 VanDerWaalsContact O-CD2 3.24Å; G66-Y398 WeakPolarHBondContact O-CD2 3.24Å
67S97Very high94.9Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-65.7-39.7175.7-64.20000112.3Y63 I64 N65 I70 I71 C79 P82Y63-S67 WeakPolarHBondContact O-CB 3.3Å; Y63-S67 PolarHBondContact O-N 3.08Å; Y63-S67 PolarHBondContact O-OG 3.42Å; I64-S67 PolarHBondContact O-N 3.48Å; N65-S67 PolarHBondContact O-N 3.22Å; S67-I70 WeakPolarHBondContact O-CG2 3.25Å; S67-I71 WeakPolarHBondContact O-CD1 3.34Å; S67-I71 VanDerWaalsContact O-CG1 3.24Å; S67-I71 WeakPolarHBondContact O-CG1 3.37Å; S67-I71 PolarHBondContact O-N 3.31Å; S67-C79 VanDerWaalsContact CB-SG 3.59Å; S67-P82 WeakPolarHBondContact OG-CG 3.35Å
68A97.8Very high94.9Very high0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-67.8-42.8174.900000111.7I64 N65 I71 Y72 I280 T314 L315I64-A68 PolarHBondContact O-N 3.16Å; N65-A68 PolarHBondContact O-N 2.94Å; A68-I71 PolarHBondContact O-N 2.89Å; A68-Y72 WeakPolarHBondContact O-CB 3.49Å; A68-Y72 PolarHBondContact O-N 2.85Å; A68-Y72 VanDerWaalsContact O-N 3.08Å; A68-I280 HydrophobicContact CB-CG2 4.37Å; A68-T314 HydrophobicContact CB-CG2 4.37Å; A68-L315 HydrophobicContact CB-CB 3.83Å; A68-L315 HydrophobicContact CB-CD1 3.89Å; A68-L315 HydrophobicContact CB-CG 4.43Å
69E97.6Very high95.1Very high8 Ų817.3 Ų17.34%0.03710%0.095CC..Hα-helixtrans-56-51.1175.4177.6-170.1177.200111.4N65 G66 I71 Y72 N73 Q311 T396 I397 Y398N65-E69 WeakPolarHBondContact O-CB 3.49Å; N65-E69 PolarHBondContact O-N 3.44Å; G66-E69 PolarHBondContact O-N 3.02Å; E69-I71 PolarHBondContact O-N 3.47Å; E69-Y72 PolarHBondContact O-N 2.81Å; E69-N73 WeakPolarHBondContact O-CB 3.39Å; E69-N73 PolarHBondContact O-N 3.27Å; E69-Q311 HydrophobicContact CG-CB 4.49Å; E69-T396 WeakPolarHBondContact OE1-CA 3.33Å; E69-T396 WeakPolarHBondContact OE1-CB 3.45Å; E69-T396 PolarHBondContact OE1-OG1 3.2Å; E69-I397 WeakPolarHBondContact OE2-CB 3.5Å; E69-I397 PolarHBondContact OE2-N 2.84Å; E69-I397 VanDerWaalsContact OE2-N 3.12Å; E69-Y398 PolarHBondContact OE2-N 3.33Å
70I96.5Very high95.1Very high21 Ų2118 Ų1811%0.10810%0.099CC..Hα-helixtrans-69.8-32.1-175.6-167.161.4000112.6G66 S67 N73 S74 G75 H78 C79 Y398G66-I70 WeakPolarHBondContact O-CG2 3.44Å; G66-I70 PolarHBondContact O-N 3.15Å; S67-I70 WeakPolarHBondContact O-CG2 3.25Å; I70-N73 PolarHBondContact O-N 3.47Å; I70-S74 WeakPolarHBondContact O-CA 3.48Å; I70-S74 PolarHBondContact O-N 2.87Å; I70-G75 PolarHBondContact O-N 3.49Å; I70-H78 HydrophobicContact CG1-CB 4.28Å; I70-C79 HydrophobicContact CG2-CB 3.67Å; I70-Y398 HydrophobicContact CB-CD1 4Å; I70-Y398 HydrophobicContact CB-CD2 3.86Å; I70-Y398 HydrophobicContact CB-CE1 4.2Å; I70-Y398 HydrophobicContact CB-CE2 4.03Å; I70-Y398 HydrophobicContact CB-CG 3.82Å; I70-Y398 HydrophobicContact CD1-CD1 3.89Å; I70-Y398 HydrophobicContact CD1-CE1 4.02Å; I70-Y398 HydrophobicContact CD1-CG 4.49Å; I70-Y398 HydrophobicContact CG1-CD1 3.94Å; I70-Y398 HydrophobicContact CG1-CE1 3.8Å; I70-Y398 HydrophobicContact CG1-CE2 4.37Å; I70-Y398 HydrophobicContact CG1-CG 4.28Å; I70-Y398 HydrophobicContact CG2-CD2 3.81Å; I70-Y398 HydrophobicContact CG2-CE2 3.66Å; I70-Y398 HydrophobicContact CG2-CG 4.3Å
71I97.6Very high95.3Very high2 Ų218 Ų181%0.0110%0.099CC..Hα-helixtrans-67.3-42.8174.5-70.1168.6000110.6S67 A68 E69 N73 G75 L76 C79 W216 L278S67-I71 WeakPolarHBondContact O-CD1 3.34Å; S67-I71 VanDerWaalsContact O-CG1 3.24Å; S67-I71 WeakPolarHBondContact O-CG1 3.37Å; S67-I71 PolarHBondContact O-N 3.31Å; A68-I71 PolarHBondContact O-N 2.89Å; E69-I71 PolarHBondContact O-N 3.47Å; I71-N73 VanDerWaalsContact C-N 3.33Å; I71-G75 VanDerWaalsContact O-CA 3.25Å; I71-G75 WeakPolarHBondContact O-CA 3.17Å; I71-G75 PolarHBondContact O-N 3Å; I71-L76 HydrophobicContact CD1-CD1 4.17Å; I71-C79 HydrophobicContact CD1-CB 4.29Å; I71-C79 HydrophobicContact CG1-CB 3.84Å; I71-W216 HydrophobicContact CG2-CB 4.21Å; I71-L278 VanDerWaalsContact CD1-CA 3.45Å; I71-L278 HydrophobicContact CD1-CB 3.91Å; I71-L278 HydrophobicContact CD1-CD2 3.54Å; I71-L278 HydrophobicContact CD1-CG 4.31Å
72Y97.6Very high95.6Very high9 Ų918.1 Ų18.14%0.03510%0.1CC..Hα-helixtrans-63-42.6176.6177.4-90.8000111.7A68 E69 A284 K285 S305 I306 Q311 T314A68-Y72 WeakPolarHBondContact O-CB 3.49Å; A68-Y72 PolarHBondContact O-N 2.85Å; A68-Y72 VanDerWaalsContact O-N 3.08Å; E69-Y72 PolarHBondContact O-N 2.81Å; Y72-A284 HydrophobicContact CD2-CB 3.87Å; Y72-K285 HydrophobicContact CD2-CB 4.12Å; Y72-K285 HydrophobicContact CD2-CD 3.98Å; Y72-K285 HydrophobicContact CE2-CD 4.05Å; Y72-K285 WeakPolarHBondContact O-CD 3.43Å; Y72-K285 WeakPolarHBondContact O-CE 3.41Å; Y72-K285 PolarHBondContact O-NZ 2.84Å; Y72-S305 WeakPolarHBondContact OH-CA 3.15Å; Y72-S305 VanDerWaalsContact OH-CB 3.25Å; Y72-S305 WeakPolarHBondContact OH-CB 3Å; Y72-I306 HydrophobicContact CD2-CD1 4.23Å; Y72-I306 HydrophobicContact CE1-CB 3.81Å; Y72-I306 HydrophobicContact CE1-CD1 4.36Å; Y72-I306 HydrophobicContact CE1-CG1 4.48Å; Y72-I306 HydrophobicContact CE2-CB 4.35Å; Y72-I306 HydrophobicContact CE2-CD1 3.93Å; Y72-I306 HydrophobicContact CE2-CG1 4.21Å; Y72-I306 WeakPolarHBondContact OH-CA 3.32Å; Y72-I306 WeakPolarHBondContact OH-CB 3.32Å; Y72-I306 PolarHBondContact OH-N 2.78Å; Y72-I306 PolarHBondContact OH-O 3.19Å; Y72-Q311 HydrophobicContact CD1-CB 4.5Å; Y72-Q311 HydrophobicContact CD1-CG 3.9Å; Y72-Q311 HydrophobicContact CE1-CG 3.77Å; Y72-T314 HydrophobicContact CD2-CG2 4.39Å; Y72-T314 HydrophobicContact CG-CG2 4.07Å
73N94.6Very high95.8Very high79 Ų7922.6 Ų22.642%0.42212%0.123SC..Hα-helixtrans-74.2-59.4-178.4-177.4-38.4000111.9E69 I70 I71 Q311E69-N73 WeakPolarHBondContact O-CB 3.39Å; E69-N73 PolarHBondContact O-N 3.27Å; I70-N73 PolarHBondContact O-N 3.47Å; I71-N73 VanDerWaalsContact C-N 3.33Å; N73-Q311 VanDerWaalsContact CG-OE1 3.31Å; N73-Q311 PolarHBondContact ND2-OE1 3.45Å
74S93.6Very high95.9Very high48 Ų4822.6 Ų22.634%0.33612%0.123SC..THydrogen-bonded Turntrans-119.3-13.1-164.5-52.80000113.8I70 H78I70-S74 WeakPolarHBondContact O-CA 3.48Å; I70-S74 PolarHBondContact O-N 2.87Å; S74-H78 PolarHBondContact O-CD2 3.19Å
75G96.2Very high96Very high2 Ų222.8 Ų22.82%0.02112%0.124CC..  trans98.7167.8176.800000115.2I70 I71 V77 H78 W216I70-G75 PolarHBondContact O-N 3.49Å; I71-G75 VanDerWaalsContact O-CA 3.25Å; I71-G75 WeakPolarHBondContact O-CA 3.17Å; I71-G75 PolarHBondContact O-N 3Å; G75-V77 VanDerWaalsContact C-N 3.32Å; G75-V77 PolarHBondContact O-N 3.48Å; G75-H78 PolarHBondContact O-N 3.1Å; G75-H78 VanDerWaalsContact O-N 3.11Å; G75-W216 CarbonylContact C-O 3.5Å; G75-W216 WeakPolarHBondContact CA-O 3.3Å
76L97.1Very high96.1Very high63 Ų6323 Ų2333%0.3313%0.126SC..G310 helixtrans-56.7-41.2-174.3178.463.3000113.2I71 H78 C79 W216 A217 L278I71-L76 HydrophobicContact CD1-CD1 4.17Å; L76-H78 PolarHBondContact O-N 3.42Å; L76-C79 VanDerWaalsContact O-CB 3.31Å; L76-C79 WeakPolarHBondContact O-CB 3.39Å; L76-C79 PolarHBondContact O-N 3Å; L76-W216 HydrophobicContact CB-CE3 4.32Å; L76-W216 HydrophobicContact CB-CZ3 4.49Å; L76-W216 HydrophobicContact CD2-CZ3 4.01Å; L76-W216 PolarHBondContact N-O 3.22Å; L76-A217 PolarHBondContact N-O 3.41Å; L76-L278 HydrophobicContact CD1-CD1 4.16Å; L76-L278 HydrophobicContact CD1-CD2 4.13Å
77V96.7Very high96.2Very high54 Ų5424.2 Ų24.233%0.32714%0.136SC..G310 helixtrans-62.7-26.2-178.4174.50000111.7G75 A217 I220 W229G75-V77 VanDerWaalsContact C-N 3.32Å; G75-V77 PolarHBondContact O-N 3.48Å; V77-A217 VanDerWaalsContact CG2-O 3.3Å; V77-A217 WeakPolarHBondContact CG2-O 3.46Å; V77-A217 PolarHBondContact N-O 3.44Å; V77-I220 HydrophobicContact CG1-CD1 3.29Å; V77-I220 HydrophobicContact CG1-CG1 3.45Å; V77-I220 VanDerWaalsContact CG1-CG1 3.45Å; V77-W229 PolarHBondContact O-NE1 2.79Å
78H94.8Very high96.3Very high66 Ų6624.3 Ų24.331%0.30614%0.136SC..G310 helixtrans-87.1-9.4175.2-65.4-82.2000113.5I70 S74 G75 L76 Q80 Y398I70-H78 HydrophobicContact CG1-CB 4.28Å; S74-H78 PolarHBondContact O-CD2 3.19Å; G75-H78 PolarHBondContact O-N 3.1Å; G75-H78 VanDerWaalsContact O-N 3.11Å; L76-H78 PolarHBondContact O-N 3.42Å; H78-Q80 PolarHBondContact O-N 3.23Å; H78-Y398 PolarHBondContact O-OH 2.97Å
79C95.8Very high96.3Very high9 Ų924.3 Ų24.36%0.06114%0.137CC..  trans-79.956.8177.5-170.10000112.6S67 I70 I71 L76S67-C79 VanDerWaalsContact CB-SG 3.59Å; I70-C79 HydrophobicContact CG2-CB 3.67Å; I71-C79 HydrophobicContact CD1-CB 4.29Å; I71-C79 HydrophobicContact CG1-CB 3.84Å; L76-C79 VanDerWaalsContact O-CB 3.31Å; L76-C79 WeakPolarHBondContact O-CB 3.39Å; L76-C79 PolarHBondContact O-N 3Å
80Q94.5Very high96.3Very high15 Ų1525.7 Ų25.77%0.0715%0.147CC..  trans-85.7-27.9-171.657.4177.5-25.100115H78 L83 G84 W229 F233 L236H78-Q80 PolarHBondContact O-N 3.23Å; Q80-L83 PolarHBondContact O-N 3.42Å; Q80-G84 PolarHBondContact O-N 2.8Å; Q80-W229 HydrophobicContact CB-CZ2 4.25Å; Q80-W229 PolarHBondContact OE1-O 3.39Å; Q80-F233 HydrophobicContact CB-CD2 4.26Å; Q80-F233 VanDerWaalsContact OE1-CA 3.31Å; Q80-F233 VanDerWaalsContact OE1-N 3.11Å; Q80-L236 HydrophobicContact CG-CD1 3.59Å
81A94.3Very high96.4Very high0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-51.6-44-175.300000114.6L83 G84 Y85 L236 Y398 W401A81-L83 VanDerWaalsContact C-N 3.32Å; A81-L83 PolarHBondContact O-N 3.02Å; A81-G84 PolarHBondContact O-N 3.44Å; A81-Y85 HydrophobicContact CB-CD2 4.27Å; A81-Y85 HydrophobicContact CB-CE2 4.13Å; A81-Y85 WeakPolarHBondContact O-CB 3.47Å; A81-Y85 WeakPolarHBondContact O-CD2 3.36Å; A81-Y85 PolarHBondContact O-N 3.02Å; A81-L236 HydrophobicContact CB-CD1 3.92Å; A81-L236 HydrophobicContact CB-CD2 3.82Å; A81-L236 HydrophobicContact CB-CG 4.46Å; A81-Y398 HydrophobicContact CB-CE2 3.92Å; A81-Y398 PolarHBondContact N-OH 3.24Å; A81-W401 HydrophobicContact CB-CE3 3.85Å; A81-W401 HydrophobicContact CB-CH2 3.68Å; A81-W401 HydrophobicContact CB-CZ2 4.41Å; A81-W401 HydrophobicContact CB-CZ3 3.36Å
82P95.2Very high96.4Very high3 Ų326.8 Ų26.82%0.01915%0.152CC..Hα-helixtrans-55.3-43174.1-30.338.8000114.4Y63 S67 A86 V274 W401Y63-P82 HydrophobicContact CE1-CB 4.47Å; Y63-P82 HydrophobicContact CE2-CB 3.8Å; Y63-P82 HydrophobicContact CE2-CG 4.31Å; S67-P82 WeakPolarHBondContact OG-CG 3.35Å; P82-A86 WeakPolarHBondContact O-CB 3.44Å; P82-A86 PolarHBondContact O-N 3.2Å; P82-V274 HydrophobicContact CB-CB 4.02Å; P82-V274 HydrophobicContact CB-CG1 4.26Å; P82-V274 HydrophobicContact CB-CG2 3.58Å; P82-V274 HydrophobicContact CG-CB 4.46Å; P82-V274 HydrophobicContact CG-CG2 3.5Å; P82-W401 HydrophobicContact CG-CH2 4.11Å; P82-W401 HydrophobicContact CG-CZ3 4.3Å
83L95.9Very high96.3Very high94 Ų9426.3 Ų26.349%0.49215%0.151SC..Hα-helixtrans-75-41.1179-66.4179000111.6Q80 A81 Y85 A86 A87 F233 V271Q80-L83 PolarHBondContact O-N 3.42Å; A81-L83 VanDerWaalsContact C-N 3.32Å; A81-L83 PolarHBondContact O-N 3.02Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.48Å; L83-A86 PolarHBondContact O-N 2.96Å; L83-A87 WeakPolarHBondContact O-CB 3.26Å; L83-A87 PolarHBondContact O-N 3.25Å; L83-F233 HydrophobicContact CB-CE2 4.2Å; L83-V271 HydrophobicContact CD2-CG2 4.28Å
84G96.6Very high96.4Very high0 Ų027.1 Ų27.10%015%0.154CC..Hα-helixtrans-58.4-45.5175.800000111.6Q80 A81 A87 S88 T237Q80-G84 PolarHBondContact O-N 2.8Å; A81-G84 PolarHBondContact O-N 3.44Å; G84-A87 CarbonylContact O-C 3.5Å; G84-A87 WeakPolarHBondContact O-CB 3.43Å; G84-A87 PolarHBondContact O-N 3.47Å; G84-S88 PolarHBondContact O-N 3.01Å; G84-T237 WeakPolarHBondContact O-CA 3.49Å
85Y96Very high96.6Very high4 Ų427.9 Ų27.92%0.01615%0.154CC..Hα-helixtrans-74.8-27.9177.7-67-47.8000114.1W58 A81 L83 A87 S88 L89 L236 W401 C404 S405W58-Y85 HydrophobicContact CE3-CD1 4.12Å; W58-Y85 HydrophobicContact CE3-CD2 4.3Å; W58-Y85 AromaticContact CE3-CG 3.78Å; W58-Y85 HydrophobicContact CE3-CG 3.78Å; W58-Y85 AromaticContact CH2-CD1 3.76Å; W58-Y85 HydrophobicContact CH2-CD1 3.76Å; W58-Y85 HydrophobicContact CH2-CE1 4.27Å; W58-Y85 HydrophobicContact CH2-CG 4.26Å; W58-Y85 AromaticContact CZ3-CD1 3.17Å; W58-Y85 HydrophobicContact CZ3-CD1 3.17Å; W58-Y85 HydrophobicContact CZ3-CD2 4.02Å; W58-Y85 AromaticContact CZ3-CE1 3.73Å; W58-Y85 HydrophobicContact CZ3-CE1 3.73Å; W58-Y85 HydrophobicContact CZ3-CE2 4.49Å; W58-Y85 AromaticContact CZ3-CG 3.31Å; W58-Y85 HydrophobicContact CZ3-CG 3.31Å; A81-Y85 HydrophobicContact CB-CD2 4.27Å; A81-Y85 HydrophobicContact CB-CE2 4.13Å; A81-Y85 WeakPolarHBondContact O-CB 3.47Å; A81-Y85 WeakPolarHBondContact O-CD2 3.36Å; A81-Y85 PolarHBondContact O-N 3.02Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.48Å; Y85-A87 VanDerWaalsContact C-N 3.31Å; Y85-S88 WeakPolarHBondContact CA-OG 3.33Å; Y85-S88 PolarHBondContact O-N 3.45Å; Y85-S88 PolarHBondContact O-OG 3.12Å; Y85-L89 WeakPolarHBondContact O-CG 3.4Å; Y85-L89 PolarHBondContact O-N 2.8Å; Y85-L236 WeakPolarHBondContact CD1-O 3.42Å; Y85-L236 HydrophobicContact CE1-CD2 4.24Å; Y85-L236 WeakPolarHBondContact CE1-O 3.34Å; Y85-L236 HydrophobicContact CE2-CD2 3.82Å; Y85-W401 AromaticContact CD2-CE2 3.82Å; Y85-W401 AromaticContact CD2-CH2 3.85Å; Y85-W401 HydrophobicContact CD2-CH2 3.85Å; Y85-W401 AromaticContact CD2-CZ2 3.26Å; Y85-W401 HydrophobicContact CD2-CZ2 3.26Å; Y85-W401 HydrophobicContact CE2-CD2 4.15Å; Y85-W401 AromaticContact CE2-CE2 3.4Å; Y85-W401 HydrophobicContact CE2-CH2 4.09Å; Y85-W401 AromaticContact CE2-CZ2 3.37Å; Y85-W401 HydrophobicContact CE2-CZ2 3.37Å; Y85-W401 AromaticContact CE2-NE1 3.54Å; Y85-W401 PolarHBondContact OH-O 3.3Å; Y85-W401 VanDerWaalsContact OH-O 3.13Å; Y85-C404 PolarHBondContact OH-SG 2.87Å; Y85-C404 VanDerWaalsContact OH-SG 3.42Å; Y85-S405 VanDerWaalsContact CE1-OG 3.25Å; Y85-S405 WeakPolarHBondContact CE1-OG 3.38Å; Y85-S405 PolarHBondContact OH-OG 2.84Å
86A97.3Very high96.6Very high6 Ų627.8 Ų27.85%0.0515%0.153CC..Hα-helixtrans-64.9-38.6167.100000111.6P82 L83 S90 A267 C270 V271P82-A86 WeakPolarHBondContact O-CB 3.44Å; P82-A86 PolarHBondContact O-N 3.2Å; L83-A86 PolarHBondContact O-N 2.96Å; A86-S90 PolarHBondContact O-N 3.13Å; A86-S90 VanDerWaalsContact O-N 3.14Å; A86-S90 PolarHBondContact O-OG 3.35Å; A86-A267 VanDerWaalsContact O-CB 3.25Å; A86-A267 WeakPolarHBondContact O-CB 3.38Å; A86-C270 HydrophobicContact CB-CB 4.48Å; A86-V271 HydrophobicContact CB-CG2 3.6Å
87A98Very high96.5Very high26 Ų2624.8 Ų24.822%0.21514%0.137CC..Hα-helixtrans-66.7-38.917300000111.6L83 G84 Y85 L89 S90 I91 T237L83-A87 WeakPolarHBondContact O-CB 3.26Å; L83-A87 PolarHBondContact O-N 3.25Å; G84-A87 CarbonylContact O-C 3.5Å; G84-A87 WeakPolarHBondContact O-CB 3.43Å; G84-A87 PolarHBondContact O-N 3.47Å; Y85-A87 VanDerWaalsContact C-N 3.31Å; A87-L89 PolarHBondContact O-N 2.92Å; A87-S90 PolarHBondContact O-N 2.8Å; A87-I91 WeakPolarHBondContact O-CB 3.46Å; A87-I91 VanDerWaalsContact O-CG1 3.31Å; A87-I91 WeakPolarHBondContact O-CG1 3.21Å; A87-I91 PolarHBondContact O-N 2.99Å; A87-T237 HydrophobicContact CB-CG2 3.76Å
88S98.2Very high96.4Very high1 Ų126.1 Ų26.11%0.00714%0.14CC..Hα-helixtrans-59.1-45.8176.283.10000111.5G84 Y85 S90 G92 T237G84-S88 PolarHBondContact O-N 3.01Å; Y85-S88 WeakPolarHBondContact CA-OG 3.33Å; Y85-S88 PolarHBondContact O-N 3.45Å; Y85-S88 PolarHBondContact O-OG 3.12Å; S88-S90 PolarHBondContact O-N 3.32Å; S88-G92 WeakPolarHBondContact O-CA 3.35Å; S88-G92 PolarHBondContact O-N 3.44Å; S88-T237 VanDerWaalsContact CA-O 3.3Å; S88-T237 WeakPolarHBondContact CA-O 3.36Å; S88-T237 WeakPolarHBondContact CB-O 3.5Å
89L98Very high96.3Very high1 Ų128.5 Ų28.51%0.00515%0.146CC..Hα-helixtrans-60.2-45.1175.5-77.1176.6000111.8M54 W58 Y85 A87 G93 Y246 S263 A266 A267M54-L89 HydrophobicContact CG-CD2 4.26Å; M54-L89 HydrophobicContact SD-CD2 4.11Å; W58-L89 HydrophobicContact CD2-CD1 4.48Å; W58-L89 HydrophobicContact CG-CD1 4.17Å; W58-L89 HydrophobicContact CZ2-CD2 4.21Å; W58-L89 HydrophobicContact CZ2-CG 4.47Å; Y85-L89 WeakPolarHBondContact O-CG 3.4Å; Y85-L89 PolarHBondContact O-N 2.8Å; A87-L89 PolarHBondContact O-N 2.92Å; L89-G93 PolarHBondContact O-N 3.07Å; L89-Y246 HydrophobicContact CD2-CD2 3.49Å; L89-Y246 VanDerWaalsContact CD2-CD2 3.49Å; L89-Y246 HydrophobicContact CD2-CE2 3.69Å; L89-S263 WeakPolarHBondContact O-CB 3.33Å; L89-A266 HydrophobicContact CD1-CB 4.05Å; L89-A267 HydrophobicContact CB-CB 3.87Å
90S97.8Very high96.2Very high36 Ų3628.1 Ų28.125%0.25214%0.143SC..Hα-helixtrans-64.3-50.3-179.8-600000111.7A86 A87 S88 G93 I94 A267A86-S90 PolarHBondContact O-N 3.13Å; A86-S90 VanDerWaalsContact O-N 3.14Å; A86-S90 PolarHBondContact O-OG 3.35Å; A87-S90 PolarHBondContact O-N 2.8Å; S88-S90 PolarHBondContact O-N 3.32Å; S90-G93 PolarHBondContact O-N 3.36Å; S90-I94 VanDerWaalsContact O-CG1 3.32Å; S90-I94 WeakPolarHBondContact O-CG1 3.36Å; S90-I94 PolarHBondContact O-N 2.66Å; S90-A267 WeakPolarHBondContact OG-CB 3.32Å
91I98.1Very high96.2Very high46 Ų4629 Ų2924%0.23615%0.146CC..Hα-helixtrans-69-43-178.7-64.7168.6000110.5A87 G93 I94 L95 T237 F238 I241A87-I91 WeakPolarHBondContact O-CB 3.46Å; A87-I91 VanDerWaalsContact O-CG1 3.31Å; A87-I91 WeakPolarHBondContact O-CG1 3.21Å; A87-I91 PolarHBondContact O-N 2.99Å; I91-G93 VanDerWaalsContact C-N 3.26Å; I91-G93 PolarHBondContact O-N 3.07Å; I91-I94 PolarHBondContact O-N 3.43Å; I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 4.25Å; I91-L95 WeakPolarHBondContact O-CB 3.37Å; I91-L95 WeakPolarHBondContact O-CG 2.92Å; I91-L95 PolarHBondContact O-N 3.07Å; I91-T237 HydrophobicContact CD1-CG2 3.63Å; I91-F238 HydrophobicContact CD1-CE1 4.34Å; I91-F238 HydrophobicContact CG2-CE1 4.4Å; I91-I241 HydrophobicContact CB-CD1 4.1Å; I91-I241 HydrophobicContact CG2-CD1 3.7Å
92G97.5Very high96.1Very high0 Ų033.6 Ų33.60%017%0.171CC..Hα-helixtrans-55.6-42.9172.900000112S88 F96 A97 Y246S88-G92 WeakPolarHBondContact O-CA 3.35Å; S88-G92 PolarHBondContact O-N 3.44Å; G92-F96 WeakPolarHBondContact O-CA 3.44Å; G92-F96 PolarHBondContact O-N 3.16Å; G92-A97 PolarHBondContact O-N 3.37Å; G92-Y246 PolarHBondContact O-OH 3.18Å
93G97Very high95.8Very high0 Ų037.3 Ų37.30%019%0.188CC..Iπ-helixtrans-63.2-43.5175.900000113.5L89 S90 I91 Y246L89-G93 PolarHBondContact O-N 3.07Å; S90-G93 PolarHBondContact O-N 3.36Å; I91-G93 VanDerWaalsContact C-N 3.26Å; I91-G93 PolarHBondContact O-N 3.07Å; G93-Y246 WeakPolarHBondContact CA-OH 3.44Å; G93-Y246 PolarHBondContact N-OH 2.83Å; G93-Y246 VanDerWaalsContact N-OH 3.07Å
94I96.5Very high95.4Very high96 Ų9633.3 Ų33.349%0.49217%0.169SC..Iπ-helixtrans-66.8-49.5178.9-66.9162.8000110.9S90 I91 F264S90-I94 VanDerWaalsContact O-CG1 3.32Å; S90-I94 WeakPolarHBondContact O-CG1 3.36Å; S90-I94 PolarHBondContact O-N 2.66Å; I91-I94 PolarHBondContact O-N 3.43Å; I94-F264 HydrophobicContact CB-CZ 4.45Å; I94-F264 HydrophobicContact CD1-CE1 3.96Å; I94-F264 HydrophobicContact CD1-CZ 4.2Å; I94-F264 HydrophobicContact CG1-CE1 3.54Å; I94-F264 HydrophobicContact CG1-CZ 3.33Å
95L96.4Very high95.1Very high64 Ų6434.4 Ų34.434%0.33517%0.173SC..Iπ-helixtrans-88.7-52.1-166.9-62.6-179.2000111.9I91 Y421I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 4.25Å; I91-L95 WeakPolarHBondContact O-CB 3.37Å; I91-L95 WeakPolarHBondContact O-CG 2.92Å; I91-L95 PolarHBondContact O-N 3.07Å; L95-Y421 VanDerWaalsContact CA-OH 3.31Å; L95-Y421 WeakPolarHBondContact CA-OH 3.47Å; L95-Y421 WeakPolarHBondContact CB-OH 3.47Å; L95-Y421 PolarHBondContact O-OH 3.43Å
96F97.1Very high94.8Very high0 Ų034.4 Ų34.40%017%0.174CC..Iπ-helixtrans-105.7-33.4-162.4-61.3-82.1000114.2G92 E98 R99 M100 I241 F247 L416 L417 V420 Y421G92-F96 WeakPolarHBondContact O-CA 3.44Å; G92-F96 PolarHBondContact O-N 3.16Å; F96-E98 VanDerWaalsContact C-N 3.35Å; F96-E98 PolarHBondContact O-N 3.46Å; F96-R99 PolarHBondContact O-N 2.92Å; F96-M100 HydrophobicContact CB-CG 4.37Å; F96-M100 WeakPolarHBondContact O-CB 3.32Å; F96-M100 WeakPolarHBondContact O-CG 3.49Å; F96-M100 PolarHBondContact O-N 3.49Å; F96-I241 HydrophobicContact CD2-CG2 3.55Å; F96-I241 HydrophobicContact CE2-CG2 3.74Å; F96-I241 HydrophobicContact CG-CG2 4.37Å; F96-F247 HydrophobicContact CB-CE1 3.88Å; F96-F247 HydrophobicContact CB-CZ 3.72Å; F96-F247 HydrophobicContact CG-CZ 4.36Å; F96-L416 HydrophobicContact CD1-CD1 4.45Å; F96-L416 HydrophobicContact CD1-CD2 3.98Å; F96-L416 HydrophobicContact CD1-CG 3.96Å; F96-L416 HydrophobicContact CE1-CD2 3.95Å; F96-L416 HydrophobicContact CE1-CG 3.7Å; F96-L416 HydrophobicContact CG-CD2 4.27Å; F96-L416 HydrophobicContact CZ-CD2 4.23Å; F96-L416 HydrophobicContact CZ-CG 4.28Å; F96-L417 HydrophobicContact CZ-CD1 4.16Å; F96-V420 HydrophobicContact CD1-CB 4.32Å; F96-V420 HydrophobicContact CD1-CG1 4.24Å; F96-V420 HydrophobicContact CD1-CG2 4.12Å; F96-V420 HydrophobicContact CE1-CB 4.26Å; F96-V420 HydrophobicContact CE1-CG1 4.49Å; F96-V420 HydrophobicContact CE1-CG2 4.33Å; F96-Y421 HydrophobicContact CD1-CE2 4.06Å; F96-Y421 HydrophobicContact CE1-CD2 4.14Å; F96-Y421 AromaticContact CE1-CE2 3.58Å; F96-Y421 HydrophobicContact CE1-CE2 3.58Å; F96-Y421 HydrophobicContact CZ-CE2 4.03Å
97A95.1Very high94.7Very high0 Ų034.1 Ų34.10%017%0.172CC..Iπ-helixtrans-55.5-46.6-170.300000113.5G92 R101 V250 A259 K260G92-A97 PolarHBondContact O-N 3.37Å; A97-R101 VanDerWaalsContact O-CB 3.28Å; A97-R101 WeakPolarHBondContact O-CB 3.37Å; A97-R101 PolarHBondContact O-N 3.26Å; A97-R101 VanDerWaalsContact O-N 3.08Å; A97-V250 HydrophobicContact CB-CG1 4.03Å; A97-V250 HydrophobicContact CB-CG2 4.13Å; A97-V250 WeakPolarHBondContact O-CG1 3.41Å; A97-A259 HydrophobicContact CB-CB 4.28Å; A97-K260 HydrophobicContact CB-CG 4.33Å
98E94.4Very high94.5Very high82 Ų8233 Ų3338%0.38316%0.162SC..Hα-helixtrans-65.6-48.7-177.6-178.9171172.200112.3F96 R101 N102 A256 K260F96-E98 VanDerWaalsContact C-N 3.35Å; F96-E98 PolarHBondContact O-N 3.46Å; E98-R101 PolarHBondContact O-N 3.44Å; E98-N102 WeakPolarHBondContact O-CB 3.46Å; E98-N102 VanDerWaalsContact O-CG 3.24Å; E98-N102 PolarHBondContact O-N 3.06Å; E98-N102 PolarHBondContact O-ND2 3.28Å; E98-A256 HydrophobicContact CB-CB 4.36Å; E98-A256 HydrophobicContact CG-CB 3.89Å; E98-K260 HydrophobicContact CB-CD 4.12Å; E98-K260 HydrophobicContact CB-CG 4.39Å; E98-K260 IonicContact OE2-NZ 3.21Å; E98-K260 PolarHBondContact OE2-NZ 3.28Å
99R93.6Very high94.4Very high115 Ų11533 Ų3343%0.43416%0.162SC..Hα-helixtrans-63.1-48.8-179.1-68-177.8173.9-136.5-1.8111.2F96 R101 N102 E103 V420 Y421F96-R99 PolarHBondContact O-N 2.92Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-R101 PolarHBondContact O-N 2.91Å; R99-N102 PolarHBondContact O-N 2.88Å; R99-E103 WeakPolarHBondContact O-CB 3.4Å; R99-E103 VanDerWaalsContact O-CG 3.31Å; R99-E103 WeakPolarHBondContact O-CG 3.34Å; R99-E103 PolarHBondContact O-N 2.92Å; R99-V420 HydrophobicContact CB-CG1 4.25Å; R99-V420 PolarHBondContact NH1-O 3.12Å; R99-Y421 VanDerWaalsContact CZ-CD1 3.48Å
100M93.6Very high94.2Very high1 Ų133 Ų331%0.00516%0.162CC..Hα-helixtrans-61.9-39.8-178.7-68.9-71.2-70.600111.4F96 Y105 P111 F247 L251 V420F96-M100 HydrophobicContact CB-CG 4.37Å; F96-M100 WeakPolarHBondContact O-CB 3.32Å; F96-M100 WeakPolarHBondContact O-CG 3.49Å; F96-M100 PolarHBondContact O-N 3.49Å; M100-Y105 HydrophobicContact CB-CD2 4.47Å; M100-Y105 HydrophobicContact CE-CD2 3.9Å; M100-Y105 WeakPolarHBondContact O-CD2 3.4Å; M100-Y105 HydrophobicContact SD-CD2 3.69Å; M100-Y105 HydrophobicContact SD-CE2 3.8Å; M100-P111 HydrophobicContact CE-CG 3.84Å; M100-P111 HydrophobicContact SD-CG 3.88Å; M100-F247 HydrophobicContact CB-CD1 4.08Å; M100-F247 HydrophobicContact CB-CE1 3.96Å; M100-F247 HydrophobicContact CE-CD1 3.97Å; M100-F247 HydrophobicContact CE-CE1 4.11Å; M100-F247 HydrophobicContact CE-CG 4.26Å; M100-F247 HydrophobicContact CE-CZ 4.47Å; M100-F247 HydrophobicContact CG-CD1 4.02Å; M100-F247 HydrophobicContact CG-CE1 3.52Å; M100-F247 HydrophobicContact CG-CZ 4.19Å; M100-L251 HydrophobicContact CB-CD2 4.3Å; M100-L251 VanDerWaalsContact O-CD2 3.28Å; M100-L251 WeakPolarHBondContact O-CD2 3.37Å; M100-V420 HydrophobicContact SD-CG2 4.18Å
101R93.2Very high94Very high34 Ų3431.4 Ų31.413%0.12815%0.151CC..Hα-helixtrans-72.6-37.5178.6-177.756.2-173.9770.3113.5A97 E98 R99 G104 V250 L251 S253 K254 A256 A259A97-R101 VanDerWaalsContact O-CB 3.28Å; A97-R101 WeakPolarHBondContact O-CB 3.37Å; A97-R101 PolarHBondContact O-N 3.26Å; A97-R101 VanDerWaalsContact O-N 3.08Å; E98-R101 PolarHBondContact O-N 3.44Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-R101 PolarHBondContact O-N 2.91Å; R101-G104 PolarHBondContact O-N 3.5Å; R101-V250 HydrophobicContact CB-CG1 4.38Å; R101-L251 PolarHBondContact NE-O 2.99Å; R101-S253 VanDerWaalsContact CZ-O 3.23Å; R101-S253 PolarHBondContact NE-O 3.29Å; R101-S253 PolarHBondContact NH2-O 3.18Å; R101-K254 PolarHBondContact NH2-O 3.2Å; R101-K254 VanDerWaalsContact NH2-O 3.09Å; R101-A256 HydrophobicContact CB-CB 4.4Å; R101-A256 HydrophobicContact CG-CB 4.42Å; R101-A259 HydrophobicContact CB-CB 4.45Å
102N92.1Very high93.9Very high96 Ų9629.3 Ų29.351%0.51314%0.14SC..Hα-helixtrans-68.8-35.2178.8-76.2-18.5000112.3E98 R99 G104 A256E98-N102 WeakPolarHBondContact O-CB 3.46Å; E98-N102 VanDerWaalsContact O-CG 3.24Å; E98-N102 PolarHBondContact O-N 3.06Å; E98-N102 PolarHBondContact O-ND2 3.28Å; R99-N102 PolarHBondContact O-N 2.88Å; N102-G104 PolarHBondContact O-N 3.3Å; N102-A256 VanDerWaalsContact OD1-CB 3.3Å; N102-A256 WeakPolarHBondContact OD1-CB 3.43Å
103E89.3Confident93.6Very high81 Ų8129.9 Ų29.938%0.37914%0.143SC..THydrogen-bonded Turntrans-72.2-4.2175.6-72.8-63.4148.900114.2R99 Y105 R114 P522R99-E103 WeakPolarHBondContact O-CB 3.4Å; R99-E103 VanDerWaalsContact O-CG 3.31Å; R99-E103 WeakPolarHBondContact O-CG 3.34Å; R99-E103 PolarHBondContact O-N 2.92Å; E103-Y105 VanDerWaalsContact C-N 3.28Å; E103-Y105 HydrophobicContact CB-CD1 4.44Å; E103-Y105 HydrophobicContact CB-CD2 3.69Å; E103-Y105 HydrophobicContact CB-CE1 4.1Å; E103-Y105 HydrophobicContact CB-CE2 3.24Å; E103-Y105 HydrophobicContact CB-CG 4.26Å; E103-Y105 VanDerWaalsContact CB-CZ 3.47Å; E103-Y105 HydrophobicContact CG-CE2 3.78Å; E103-Y105 PolarHBondContact O-N 2.81Å; E103-R114 IonicContact OE2-NH1 3.28Å; E103-R114 PolarHBondContact OE2-NH1 3.48Å; E103-P522 WeakPolarHBondContact O-CG 3.47Å
104G86.7Confident93.2Very high10 Ų1033.2 Ų33.210%0.10316%0.155CC..THydrogen-bonded Turntrans62.130.2174.100000115.2R43 R101 N102R43-G104 VanDerWaalsContact NH1-CA 3.26Å; R43-G104 PolarHBondContact NH2-O 3.17Å; R101-G104 PolarHBondContact O-N 3.5Å; N102-G104 PolarHBondContact O-N 3.3Å
105Y91.9Very high92.9Very high23 Ų2330.6 Ų30.69%0.0914%0.14CC..  trans-61.7156.6175.2-61.9-49000112.9R43 M100 E103 D110 P111 R114 L251 L519R43-Y105 PolarHBondContact NH2-O 3.03Å; M100-Y105 HydrophobicContact CB-CD2 4.47Å; M100-Y105 HydrophobicContact CE-CD2 3.9Å; M100-Y105 WeakPolarHBondContact O-CD2 3.4Å; M100-Y105 HydrophobicContact SD-CD2 3.69Å; M100-Y105 HydrophobicContact SD-CE2 3.8Å; E103-Y105 VanDerWaalsContact C-N 3.28Å; E103-Y105 HydrophobicContact CB-CD1 4.44Å; E103-Y105 HydrophobicContact CB-CD2 3.69Å; E103-Y105 HydrophobicContact CB-CE1 4.1Å; E103-Y105 HydrophobicContact CB-CE2 3.24Å; E103-Y105 HydrophobicContact CB-CG 4.26Å; E103-Y105 VanDerWaalsContact CB-CZ 3.47Å; E103-Y105 HydrophobicContact CG-CE2 3.78Å; E103-Y105 PolarHBondContact O-N 2.81Å; Y105-D110 HydrophobicContact CD1-CB 3.42Å; Y105-D110 VanDerWaalsContact CD1-CB 3.42Å; Y105-D110 HydrophobicContact CE1-CB 4.17Å; Y105-D110 HydrophobicContact CG-CB 3.88Å; Y105-P111 HydrophobicContact CD2-CG 4.34Å; Y105-P111 HydrophobicContact CE1-CB 4.29Å; Y105-P111 HydrophobicContact CE2-CB 3.82Å; Y105-P111 HydrophobicContact CE2-CG 4.07Å; Y105-R114 VanDerWaalsContact CE1-NH1 3.35Å; Y105-L251 WeakPolarHBondContact O-CD2 3.38Å; Y105-L519 HydrophobicContact CD1-CD1 4.22Å; Y105-L519 HydrophobicContact CE1-CD1 4.34Å
106V88.8Confident92.7Very high4 Ų427.8 Ų27.82%0.02413%0.125CC..SBendtrans-102.9-33.1174.21790000111.6M39 L40 D110 R356M39-V106 HydrophobicContact CB-CG1 4.5Å; M39-V106 HydrophobicContact CE-CG1 3.72Å; M39-V106 HydrophobicContact SD-CG1 4.01Å; L40-V106 HydrophobicContact CD1-CB 4.35Å; L40-V106 HydrophobicContact CD1-CG1 4.2Å; L40-V106 HydrophobicContact CD1-CG2 4.34Å; L40-V106 HydrophobicContact CG-CG1 4.28Å; V106-D110 PolarHBondContact N-OD2 3.12Å; V106-R356 VanDerWaalsContact CG2-NH2 3.26Å
107T94.6Very high92.4Very high0 Ų029 Ų290%014%0.138CC..SBendtrans-129.1164.4174.971.20000110.6M39 L109 D110 R356 N357M39-T107 HydrophobicContact CE-CG2 3.77Å; T107-L109 PolarHBondContact O-N 2.83Å; T107-L109 PolarHBondContact OG1-N 3.41Å; T107-D110 PolarHBondContact N-OD2 3.43Å; T107-D110 WeakPolarHBondContact O-CB 3.31Å; T107-D110 PolarHBondContact O-N 3.28Å; T107-D110 PolarHBondContact OG1-N 3.07Å; T107-D110 PolarHBondContact OG1-OD1 3.42Å; T107-R356 HydrophobicContact CG2-CB 3.86Å; T107-R356 HydrophobicContact CG2-CG 3.8Å; T107-N357 WeakPolarHBondContact CB-OD1 3.26Å; T107-N357 WeakPolarHBondContact CG2-OD1 3.48Å; T107-N357 PolarHBondContact OG1-ND2 2.55Å; T107-N357 PolarHBondContact OG1-OD1 2.83Å
108M94.8Very high92Very high3 Ų332.7 Ų32.72%0.01516%0.155CC..THydrogen-bonded Turntrans-63.1-26170.973.1152.5165.400112.5D110 P111 F112 A128 P242 Q244 F247 M353 L412M108-D110 VanDerWaalsContact C-N 3.34Å; M108-P111 WeakPolarHBondContact O-CD 3.34Å; M108-P111 VanDerWaalsContact O-CG 3.26Å; M108-P111 WeakPolarHBondContact O-CG 3.46Å; M108-F112 VanDerWaalsContact O-CD2 3.22Å; M108-F112 WeakPolarHBondContact O-CD2 3.43Å; M108-F112 WeakPolarHBondContact O-CE2 3.33Å; M108-A128 HydrophobicContact CE-CB 3.7Å; M108-P242 VanDerWaalsContact CE-O 3.26Å; M108-P242 WeakPolarHBondContact CE-O 3.25Å; M108-Q244 HydrophobicContact CE-CB 3.83Å; M108-Q244 HydrophobicContact CG-CB 3.92Å; M108-Q244 HydrophobicContact SD-CB 4.35Å; M108-F247 HydrophobicContact CB-CB 3.84Å; M108-F247 HydrophobicContact CB-CD2 3.47Å; M108-F247 VanDerWaalsContact CB-CD2 3.47Å; M108-F247 HydrophobicContact CB-CE2 4.32Å; M108-F247 HydrophobicContact CB-CG 3.88Å; M108-F247 HydrophobicContact CG-CD2 4.49Å; M108-F247 HydrophobicContact SD-CD2 4.39Å; M108-M353 HydrophobicContact CE-CE 4.3Å; M108-M353 HydrophobicContact CE-SD 3.58Å; M108-M353 VanDerWaalsContact CE-SD 3.58Å; M108-M353 HydrophobicContact CG-SD 4.26Å; M108-L412 HydrophobicContact CE-CD1 4.43Å
109L95.8Very high91.9Very high0 Ų039 Ų390%018%0.175CC..THydrogen-bonded Turntrans-81.9-13.7-177.4-66-175.2000113T107 F112 Q113 V121 F125 M353 N357T107-L109 PolarHBondContact O-N 2.83Å; T107-L109 PolarHBondContact OG1-N 3.41Å; L109-F112 HydrophobicContact CD2-CD2 4.15Å; L109-F112 HydrophobicContact CD2-CE2 4.28Å; L109-F112 WeakPolarHBondContact O-CA 3.02Å; L109-F112 WeakPolarHBondContact O-CB 3.3Å; L109-F112 PolarHBondContact O-N 3.33Å; L109-F112 VanDerWaalsContact O-N 3.1Å; L109-Q113 PolarHBondContact O-N 2.68Å; L109-V121 HydrophobicContact CB-CG1 4.08Å; L109-V121 HydrophobicContact CD1-CG1 4.19Å; L109-F125 HydrophobicContact CD1-CB 4Å; L109-F125 HydrophobicContact CD1-CD2 4.08Å; L109-M353 HydrophobicContact CD1-CB 4.26Å; L109-M353 HydrophobicContact CD1-CG 4.13Å; L109-M353 HydrophobicContact CD1-SD 3.76Å; L109-M353 HydrophobicContact CG-CG 4.38Å; L109-M353 HydrophobicContact CG-SD 3.93Å; L109-N357 HydrophobicContact CB-CB 4.32Å; L109-N357 HydrophobicContact CD1-CB 4.37Å
110D94.1Very high91.9Very high1 Ų133.8 Ų33.81%0.00516%0.156CC..Hα-helixtrans-55.9-45.3178.6-76.610.7000115.1Y105 V106 T107 M108 F112 Q113 R114 R356 N357 L519Y105-D110 HydrophobicContact CD1-CB 3.42Å; Y105-D110 VanDerWaalsContact CD1-CB 3.42Å; Y105-D110 HydrophobicContact CE1-CB 4.17Å; Y105-D110 HydrophobicContact CG-CB 3.88Å; V106-D110 PolarHBondContact N-OD2 3.12Å; T107-D110 PolarHBondContact N-OD2 3.43Å; T107-D110 WeakPolarHBondContact O-CB 3.31Å; T107-D110 PolarHBondContact O-N 3.28Å; T107-D110 PolarHBondContact OG1-N 3.07Å; T107-D110 PolarHBondContact OG1-OD1 3.42Å; M108-D110 VanDerWaalsContact C-N 3.34Å; D110-F112 VanDerWaalsContact C-N 3.27Å; D110-F112 PolarHBondContact O-N 3.46Å; D110-Q113 WeakPolarHBondContact O-CB 3.25Å; D110-Q113 PolarHBondContact O-N 2.86Å; D110-Q113 VanDerWaalsContact O-N 3.13Å; D110-R114 PolarHBondContact O-N 2.86Å; D110-R356 IonicContact OD2-NH2 3.53Å; D110-N357 PolarHBondContact OD1-ND2 2.84Å; D110-L519 HydrophobicContact CB-CD1 3.61Å
111P94Very high92Very high4 Ų433.8 Ų33.83%0.02616%0.156CC..Hα-helixtrans-59.9-37.2173.721.6-34.9000112.6M100 Y105 M108 Q113 R114 K115 V419M100-P111 HydrophobicContact CE-CG 3.84Å; M100-P111 HydrophobicContact SD-CG 3.88Å; Y105-P111 HydrophobicContact CD2-CG 4.34Å; Y105-P111 HydrophobicContact CE1-CB 4.29Å; Y105-P111 HydrophobicContact CE2-CB 3.82Å; Y105-P111 HydrophobicContact CE2-CG 4.07Å; M108-P111 WeakPolarHBondContact O-CD 3.34Å; M108-P111 VanDerWaalsContact O-CG 3.26Å; M108-P111 WeakPolarHBondContact O-CG 3.46Å; P111-Q113 VanDerWaalsContact C-N 3.32Å; P111-R114 PolarHBondContact O-N 3.24Å; P111-K115 WeakPolarHBondContact O-CB 3.32Å; P111-K115 PolarHBondContact O-N 3.48Å; P111-K115 VanDerWaalsContact O-N 3.09Å; P111-V419 HydrophobicContact CB-CG1 3.94Å; P111-V419 HydrophobicContact CB-CG2 4.22Å; P111-V419 HydrophobicContact CG-CG1 4.27Å; P111-V419 VanDerWaalsContact O-CG2 3.32Å; P111-V419 WeakPolarHBondContact O-CG2 3.42Å
112F94.8Very high92Very high1 Ų133.3 Ų33.30%0.00416%0.162CC..Hα-helixtrans-65.4-39.3175.5-53.2-100.8000110.6M108 L109 D110 K115 Y116 V121 L124 Q415 L416 V419M108-F112 VanDerWaalsContact O-CD2 3.22Å; M108-F112 WeakPolarHBondContact O-CD2 3.43Å; M108-F112 WeakPolarHBondContact O-CE2 3.33Å; L109-F112 HydrophobicContact CD2-CD2 4.15Å; L109-F112 HydrophobicContact CD2-CE2 4.28Å; L109-F112 WeakPolarHBondContact O-CA 3.02Å; L109-F112 WeakPolarHBondContact O-CB 3.3Å; L109-F112 PolarHBondContact O-N 3.33Å; L109-F112 VanDerWaalsContact O-N 3.1Å; D110-F112 VanDerWaalsContact C-N 3.27Å; D110-F112 PolarHBondContact O-N 3.46Å; F112-K115 PolarHBondContact O-N 3.5Å; F112-Y116 HydrophobicContact CB-CD2 4.23Å; F112-Y116 HydrophobicContact CD1-CD2 4.18Å; F112-Y116 AromaticContact CD1-CE2 3.92Å; F112-Y116 HydrophobicContact CD1-CE2 3.92Å; F112-Y116 WeakPolarHBondContact O-CA 3.46Å; F112-Y116 WeakPolarHBondContact O-CB 2.94Å; F112-Y116 PolarHBondContact O-N 2.82Å; F112-V121 VanDerWaalsContact C-CG2 3.41Å; F112-V121 HydrophobicContact CB-CG2 3.73Å; F112-L124 HydrophobicContact CB-CD1 4.15Å; F112-L124 HydrophobicContact CD1-CD1 3.64Å; F112-L124 HydrophobicContact CE1-CD1 4.4Å; F112-L124 HydrophobicContact CG-CD1 4.22Å; F112-Q415 HydrophobicContact CD1-CB 4.23Å; F112-Q415 HydrophobicContact CE1-CB 3.57Å; F112-L416 HydrophobicContact CE1-CB 4.48Å; F112-L416 HydrophobicContact CE2-CD1 3.91Å; F112-L416 HydrophobicContact CZ-CB 3.83Å; F112-L416 HydrophobicContact CZ-CD1 3.81Å; F112-L416 HydrophobicContact CZ-CG 4.43Å; F112-V419 HydrophobicContact CD1-CB 4.37Å; F112-V419 HydrophobicContact CD1-CG1 4.24Å; F112-V419 HydrophobicContact CD2-CG1 4.42Å; F112-V419 HydrophobicContact CE1-CG1 4.13Å; F112-V419 HydrophobicContact CE2-CG1 4.34Å; F112-V419 HydrophobicContact CG-CG1 4.41Å; F112-V419 HydrophobicContact CZ-CG1 4.21Å
113Q92Very high92.2Very high13 Ų1331.9 Ų31.96%0.06115%0.154CC..Hα-helixtrans-61.9-48.7176.8-169.682.911.900111.2L109 D110 P111 K115 G117 Q118 V121 L361L109-Q113 PolarHBondContact O-N 2.68Å; D110-Q113 WeakPolarHBondContact O-CB 3.25Å; D110-Q113 PolarHBondContact O-N 2.86Å; D110-Q113 VanDerWaalsContact O-N 3.13Å; P111-Q113 VanDerWaalsContact C-N 3.32Å; Q113-K115 VanDerWaalsContact C-N 3.29Å; Q113-K115 PolarHBondContact O-N 3.36Å; Q113-G117 WeakPolarHBondContact O-CA 3.38Å; Q113-G117 PolarHBondContact O-N 2.89Å; Q113-G117 VanDerWaalsContact O-N 3.11Å; Q113-Q118 VanDerWaalsContact NE2-CA 3.26Å; Q113-V121 HydrophobicContact CB-CG2 3.99Å; Q113-L361 HydrophobicContact CG-CB 4.48Å; Q113-L361 HydrophobicContact CG-CD1 4.18Å; Q113-L361 PolarHBondContact NE2-O 3.29Å
114R88.5Confident92.6Very high70 Ų7028 Ų2826%0.26414%0.136SC..Hα-helixtrans-59.9-40.9178.9-74.8-169.3173.8156.84.3111.7E103 Y105 D110 P111 R516 L519E103-R114 IonicContact OE2-NH1 3.28Å; E103-R114 PolarHBondContact OE2-NH1 3.48Å; Y105-R114 VanDerWaalsContact CE1-NH1 3.35Å; D110-R114 PolarHBondContact O-N 2.86Å; P111-R114 PolarHBondContact O-N 3.24Å; R114-R516 PolarHBondContact O-NH1 2.65Å; R114-L519 HydrophobicContact CG-CD1 3.51Å; R114-L519 HydrophobicContact CG-CG 3.96Å; R114-L519 PolarHBondContact NH2-O 3.09Å
115K90.8Very high93.2Very high40 Ų4028.3 Ų28.317%0.17413%0.134CC..Hα-helixtrans-88-50.4-171.1-155171.6-158166.60113.8P111 F112 Q113 C418 V419 M422 A425 R516P111-K115 WeakPolarHBondContact O-CB 3.32Å; P111-K115 PolarHBondContact O-N 3.48Å; P111-K115 VanDerWaalsContact O-N 3.09Å; F112-K115 PolarHBondContact O-N 3.5Å; Q113-K115 VanDerWaalsContact C-N 3.29Å; Q113-K115 PolarHBondContact O-N 3.36Å; K115-C418 PolarHBondContact NZ-O 3.29Å; K115-C418 VanDerWaalsContact NZ-O 3.15Å; K115-V419 HydrophobicContact CB-CG2 3.63Å; K115-V419 HydrophobicContact CD-CB 4.27Å; K115-V419 HydrophobicContact CD-CG2 3.48Å; K115-V419 VanDerWaalsContact CD-CG2 3.48Å; K115-V419 HydrophobicContact CG-CG2 4.2Å; K115-V419 PolarHBondContact NZ-O 3.25Å; K115-M422 WeakPolarHBondContact CE-O 3.33Å; K115-M422 PolarHBondContact NZ-O 2.88Å; K115-A425 HydrophobicContact CD-CB 4.22Å; K115-A425 VanDerWaalsContact CE-O 3.23Å; K115-A425 WeakPolarHBondContact CE-O 3.49Å; K115-R516 PolarHBondContact O-NH1 3.08Å
116Y92.2Very high93.4Very high6 Ų630.9 Ų30.92%0.02415%0.149CC..Hα-helixtrans-100.1-14.6-171.5-51.6-34.3000113.9F112 M120 L124 V419 A425 T427 S430F112-Y116 HydrophobicContact CB-CD2 4.23Å; F112-Y116 HydrophobicContact CD1-CD2 4.18Å; F112-Y116 AromaticContact CD1-CE2 3.92Å; F112-Y116 HydrophobicContact CD1-CE2 3.92Å; F112-Y116 WeakPolarHBondContact O-CA 3.46Å; F112-Y116 WeakPolarHBondContact O-CB 2.94Å; F112-Y116 PolarHBondContact O-N 2.82Å; Y116-M120 HydrophobicContact CD2-CG 4.43Å; Y116-M120 HydrophobicContact CG-CG 4.47Å; Y116-L124 HydrophobicContact CD2-CD1 4.13Å; Y116-V419 HydrophobicContact CE2-CB 4.23Å; Y116-V419 HydrophobicContact CE2-CG2 4.09Å; Y116-A425 HydrophobicContact CE1-CB 4.08Å; Y116-T427 WeakPolarHBondContact CA-OG1 3.46Å; Y116-T427 PolarHBondContact O-OG1 3.46Å; Y116-S430 WeakPolarHBondContact CD2-OG 3.33Å
117G89.2Confident93.8Very high25 Ų2530.7 Ų30.726%0.25815%0.148SC..  trans83.8169.4178.700000114.4Q113 R119 M120 V121Q113-G117 WeakPolarHBondContact O-CA 3.38Å; Q113-G117 PolarHBondContact O-N 2.89Å; Q113-G117 VanDerWaalsContact O-N 3.11Å; G117-R119 PolarHBondContact O-N 2.93Å; G117-M120 PolarHBondContact O-N 3.46Å; G117-V121 PolarHBondContact O-N 3.43Å
118Q88.7Confident94Very high78 Ų7830.8 Ų30.836%0.36415%0.149SC..Hα-helixtrans-63.1-35.9-166.969.2-155.842.500115.2Q113 V121 G122 A362Q113-Q118 VanDerWaalsContact NE2-CA 3.26Å; Q118-V121 PolarHBondContact O-N 3.32Å; Q118-G122 PolarHBondContact O-N 3.13Å; Q118-A362 HydrophobicContact CB-CB 3.91Å; Q118-A362 HydrophobicContact CG-CB 4.43Å
119R90.8Very high94.1Very high213 Ų21332.3 Ų32.380%0.80416%0.156SC*.Hα-helixtrans-65.9-45.2-179.4-65-178.4-177.81681111.2G117 G122 L123G117-R119 PolarHBondContact O-N 2.93Å; R119-G122 PolarHBondContact O-N 3Å; R119-L123 PolarHBondContact O-N 3.39Å
120M94.3Very high94.1Very high7 Ų735.4 Ų35.43%0.03417%0.172CC..Hα-helixtrans-68.4-37.7179.7-170.264.8-139.400111.5Y116 G117 G122 L123 L124 T427 S430 L431 Y434Y116-M120 HydrophobicContact CD2-CG 4.43Å; Y116-M120 HydrophobicContact CG-CG 4.47Å; G117-M120 PolarHBondContact O-N 3.46Å; M120-G122 VanDerWaalsContact C-N 3.3Å; M120-G122 PolarHBondContact O-N 3.01Å; M120-L123 HydrophobicContact CE-CB 4.24Å; M120-L123 HydrophobicContact CE-CD1 4.45Å; M120-L123 WeakPolarHBondContact O-CB 3.2Å; M120-L123 PolarHBondContact O-N 2.74Å; M120-L123 VanDerWaalsContact O-N 3.12Å; M120-L123 HydrophobicContact SD-CD1 4.28Å; M120-L124 HydrophobicContact CE-CD1 4.26Å; M120-L124 HydrophobicContact CE-CD2 4Å; M120-L124 HydrophobicContact CE-CG 3.81Å; M120-L124 HydrophobicContact CG-CD1 4.14Å; M120-L124 WeakPolarHBondContact O-CG 3.44Å; M120-L124 PolarHBondContact O-N 3.47Å; M120-T427 HydrophobicContact CB-CG2 4.06Å; M120-T427 HydrophobicContact CG-CG2 4.4Å; M120-S430 WeakPolarHBondContact CE-OG 3.31Å; M120-S430 WeakPolarHBondContact CG-OG 3.45Å; M120-L431 HydrophobicContact SD-CB 4.08Å; M120-L431 HydrophobicContact SD-CD1 4.28Å; M120-Y434 HydrophobicContact CE-CD2 4.04Å; M120-Y434 HydrophobicContact CE-CG 4.18Å
121V94.5Very high94.3Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-64.2-35.8174.2174.80000112.2L109 F112 Q113 G117 Q118 L123 L124 F125 N357L109-V121 HydrophobicContact CB-CG1 4.08Å; L109-V121 HydrophobicContact CD1-CG1 4.19Å; F112-V121 VanDerWaalsContact C-CG2 3.41Å; F112-V121 HydrophobicContact CB-CG2 3.73Å; Q113-V121 HydrophobicContact CB-CG2 3.99Å; G117-V121 PolarHBondContact O-N 3.43Å; Q118-V121 PolarHBondContact O-N 3.32Å; V121-L123 PolarHBondContact O-N 2.91Å; V121-L124 PolarHBondContact O-N 2.74Å; V121-F125 WeakPolarHBondContact O-CB 3.49Å; V121-F125 PolarHBondContact O-N 3.27Å; V121-N357 HydrophobicContact CG1-CB 3.91Å
122G95Very high94.4Very high25 Ų2535.2 Ų35.226%0.25817%0.171SC..Hα-helixtrans-54.7-40.4170.900000112.9Q118 R119 M120Q118-G122 PolarHBondContact O-N 3.13Å; R119-G122 PolarHBondContact O-N 3Å; M120-G122 VanDerWaalsContact C-N 3.3Å; M120-G122 PolarHBondContact O-N 3.01Å
123L96.5Very high94.5Very high66 Ų6635.5 Ų35.535%0.34617%0.172SC..Hα-helixtrans-72.4-41.1175.6-64.8176.9000112.8R119 M120 V121 F125 I126 P127 L431 Y434R119-L123 PolarHBondContact O-N 3.39Å; M120-L123 HydrophobicContact CE-CB 4.24Å; M120-L123 HydrophobicContact CE-CD1 4.45Å; M120-L123 WeakPolarHBondContact O-CB 3.2Å; M120-L123 PolarHBondContact O-N 2.74Å; M120-L123 VanDerWaalsContact O-N 3.12Å; M120-L123 HydrophobicContact SD-CD1 4.28Å; V121-L123 PolarHBondContact O-N 2.91Å; L123-F125 VanDerWaalsContact C-N 3.27Å; L123-F125 PolarHBondContact O-N 2.88Å; L123-I126 HydrophobicContact CD2-CD1 4.48Å; L123-I126 WeakPolarHBondContact O-CB 3.34Å; L123-I126 PolarHBondContact O-N 3.45Å; L123-P127 WeakPolarHBondContact O-CD 3.47Å; L123-L431 HydrophobicContact CD1-CD1 4.01Å; L123-Y434 HydrophobicContact CB-CE2 4.31Å; L123-Y434 WeakPolarHBondContact O-CE2 3.26Å; L123-Y434 PolarHBondContact O-OH 3.47Å
124L97.7Very high94.6Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-70.6-23.5178.4-67.2168.5000112.7F112 Y116 M120 V121 I126 P127 I411 L412 Q415 Y434F112-L124 HydrophobicContact CB-CD1 4.15Å; F112-L124 HydrophobicContact CD1-CD1 3.64Å; F112-L124 HydrophobicContact CE1-CD1 4.4Å; F112-L124 HydrophobicContact CG-CD1 4.22Å; Y116-L124 HydrophobicContact CD2-CD1 4.13Å; M120-L124 HydrophobicContact CE-CD1 4.26Å; M120-L124 HydrophobicContact CE-CD2 4Å; M120-L124 HydrophobicContact CE-CG 3.81Å; M120-L124 HydrophobicContact CG-CD1 4.14Å; M120-L124 WeakPolarHBondContact O-CG 3.44Å; M120-L124 PolarHBondContact O-N 3.47Å; V121-L124 PolarHBondContact O-N 2.74Å; L124-I126 VanDerWaalsContact C-N 3.26Å; L124-I126 PolarHBondContact O-N 2.87Å; L124-P127 VanDerWaalsContact O-CD 3.26Å; L124-P127 WeakPolarHBondContact O-CD 3.48Å; L124-P127 VanDerWaalsContact O-CG 3.3Å; L124-P127 WeakPolarHBondContact O-CG 3.29Å; L124-I411 HydrophobicContact CD2-CG2 4.14Å; L124-L412 HydrophobicContact CB-CD2 4.01Å; L124-L412 HydrophobicContact CD2-CD2 3.9Å; L124-L412 WeakPolarHBondContact O-CD2 3.48Å; L124-Q415 HydrophobicContact CD2-CB 4.47Å; L124-Q415 HydrophobicContact CD2-CG 3.9Å; L124-Y434 HydrophobicContact CD2-CD2 3.93Å; L124-Y434 HydrophobicContact CD2-CE2 4.49Å
125F97.8Very high95Very high16 Ų1633 Ų337%0.0716%0.163CC..Hα-helixtrans-64.9-30.5172.2170.3-105.9000112.3L109 V121 L123 A128 L129 M353 F354 I358L109-F125 HydrophobicContact CD1-CB 4Å; L109-F125 HydrophobicContact CD1-CD2 4.08Å; V121-F125 WeakPolarHBondContact O-CB 3.49Å; V121-F125 PolarHBondContact O-N 3.27Å; L123-F125 VanDerWaalsContact C-N 3.27Å; L123-F125 PolarHBondContact O-N 2.88Å; F125-A128 WeakPolarHBondContact O-CB 3.33Å; F125-A128 PolarHBondContact O-N 2.98Å; F125-L129 HydrophobicContact CE1-CB 4.1Å; F125-L129 HydrophobicContact CE1-CD2 3.75Å; F125-L129 HydrophobicContact CE1-CG 4.41Å; F125-L129 HydrophobicContact CE2-CB 4.16Å; F125-L129 HydrophobicContact CZ-CB 3.89Å; F125-L129 HydrophobicContact CZ-CD1 4.08Å; F125-L129 HydrophobicContact CZ-CD2 3.9Å; F125-L129 HydrophobicContact CZ-CG 4.17Å; F125-L129 VanDerWaalsContact O-CB 3.29Å; F125-L129 WeakPolarHBondContact O-CB 3.3Å; F125-L129 PolarHBondContact O-N 2.93Å; F125-M353 HydrophobicContact CD2-CB 3.9Å; F125-M353 HydrophobicContact CE2-CB 3.77Å; F125-F354 AromaticContact CE1-CD2 3.88Å; F125-F354 HydrophobicContact CE1-CD2 3.88Å; F125-F354 HydrophobicContact CE2-CB 4.17Å; F125-F354 HydrophobicContact CZ-CB 3.85Å; F125-F354 AromaticContact CZ-CD2 3.82Å; F125-F354 HydrophobicContact CZ-CD2 3.82Å; F125-F354 HydrophobicContact CZ-CG 4.34Å; F125-I358 HydrophobicContact CB-CD1 3.73Å; F125-I358 HydrophobicContact CB-CG1 4.31Å; F125-I358 HydrophobicContact CD1-CD1 3.92Å; F125-I358 HydrophobicContact CD1-CG1 3.75Å; F125-I358 HydrophobicContact CD2-CG1 4.23Å; F125-I358 HydrophobicContact CE1-CG1 4.1Å; F125-I358 HydrophobicContact CG-CD1 3.8Å; F125-I358 HydrophobicContact CG-CG1 3.82Å; F125-I358 HydrophobicContact CZ-CG1 4.49Å
126I97.2Very high95.2Very high76 Ų7631 Ų3139%0.3916%0.155SC..Hα-helixtrans-59.5-56.5-179.6-60.4171.2000112.2L123 L124 A128 L129 M130L123-I126 HydrophobicContact CD2-CD1 4.48Å; L123-I126 WeakPolarHBondContact O-CB 3.34Å; L123-I126 PolarHBondContact O-N 3.45Å; L124-I126 VanDerWaalsContact C-N 3.26Å; L124-I126 PolarHBondContact O-N 2.87Å; I126-A128 PolarHBondContact O-N 3.1Å; I126-L129 PolarHBondContact O-N 3.31Å; I126-M130 HydrophobicContact CG2-SD 4.1Å; I126-M130 WeakPolarHBondContact O-CG 3.43Å; I126-M130 PolarHBondContact O-N 3.43Å
127P97.2Very high95.4Very high1 Ų130.8 Ų30.81%0.00615%0.154CC..Hα-helixtrans-63.6-30.9177.125.4-34.8000112.5L123 L124 G131 L407 I411 L412 Y434L123-P127 WeakPolarHBondContact O-CD 3.47Å; L124-P127 VanDerWaalsContact O-CD 3.26Å; L124-P127 WeakPolarHBondContact O-CD 3.48Å; L124-P127 VanDerWaalsContact O-CG 3.3Å; L124-P127 WeakPolarHBondContact O-CG 3.29Å; P127-G131 PolarHBondContact O-N 3.26Å; P127-L407 HydrophobicContact CB-CB 3.82Å; P127-I411 HydrophobicContact CG-CB 4.48Å; P127-I411 HydrophobicContact CG-CG2 4.15Å; P127-L412 HydrophobicContact CB-CD1 4.4Å; P127-L412 HydrophobicContact CB-CG 4.34Å; P127-L412 HydrophobicContact CG-CD1 4.3Å; P127-L412 HydrophobicContact CG-CD2 4.03Å; P127-L412 HydrophobicContact CG-CG 4Å; P127-Y434 HydrophobicContact CG-CE2 4.2Å
128A97.9Very high95.7Very high2 Ų229.6 Ų29.62%0.01714%0.141CC..Hα-helixtrans-65.1-47.617500000111.2M108 F125 I126 G131 E132 M353 L412M108-A128 HydrophobicContact CE-CB 3.7Å; F125-A128 WeakPolarHBondContact O-CB 3.33Å; F125-A128 PolarHBondContact O-N 2.98Å; I126-A128 PolarHBondContact O-N 3.1Å; A128-G131 PolarHBondContact O-N 3.42Å; A128-E132 WeakPolarHBondContact O-CG 3.49Å; A128-E132 PolarHBondContact O-N 2.98Å; A128-E132 VanDerWaalsContact O-N 3.09Å; A128-M353 HydrophobicContact CB-CE 3.95Å; A128-M353 HydrophobicContact CB-SD 3.9Å; A128-L412 HydrophobicContact CB-CD1 3.7Å
129L97.9Very high96Very high34 Ų3425.9 Ų25.918%0.17812%0.124CC..Hα-helixtrans-61.9-43.5177.1176.363.8000111.4F125 I126 G131 E132 V133 A350 V383F125-L129 HydrophobicContact CE1-CB 4.1Å; F125-L129 HydrophobicContact CE1-CD2 3.75Å; F125-L129 HydrophobicContact CE1-CG 4.41Å; F125-L129 HydrophobicContact CE2-CB 4.16Å; F125-L129 HydrophobicContact CZ-CB 3.89Å; F125-L129 HydrophobicContact CZ-CD1 4.08Å; F125-L129 HydrophobicContact CZ-CD2 3.9Å; F125-L129 HydrophobicContact CZ-CG 4.17Å; F125-L129 VanDerWaalsContact O-CB 3.29Å; F125-L129 WeakPolarHBondContact O-CB 3.3Å; F125-L129 PolarHBondContact O-N 2.93Å; I126-L129 PolarHBondContact O-N 3.31Å; L129-G131 VanDerWaalsContact C-N 3.32Å; L129-G131 PolarHBondContact O-N 2.78Å; L129-E132 PolarHBondContact O-N 3.2Å; L129-V133 HydrophobicContact CD1-CG2 3.99Å; L129-V133 HydrophobicContact CG-CG2 4.25Å; L129-V133 WeakPolarHBondContact O-CB 3.41Å; L129-V133 VanDerWaalsContact O-CG2 3.29Å; L129-V133 WeakPolarHBondContact O-CG2 3.48Å; L129-V133 PolarHBondContact O-N 2.81Å; L129-A350 HydrophobicContact CD1-CB 4.02Å; L129-V383 HydrophobicContact CD1-CG2 3.94Å
130M95.9Very high96.2Very high65 Ų6515.7 Ų15.732%0.329%0.086SC..Hα-helixtrans-60.5-42.7177.1-71.6178.268.900111.6I126 E132 V133 F134 L407I126-M130 HydrophobicContact CG2-SD 4.1Å; I126-M130 WeakPolarHBondContact O-CG 3.43Å; I126-M130 PolarHBondContact O-N 3.43Å; M130-E132 PolarHBondContact O-N 2.92Å; M130-V133 PolarHBondContact O-N 3.26Å; M130-F134 HydrophobicContact CE-CE2 4.14Å; M130-F134 HydrophobicContact CE-CZ 3.96Å; M130-F134 WeakPolarHBondContact O-CB 3.2Å; M130-F134 WeakPolarHBondContact O-CD2 3.22Å; M130-F134 VanDerWaalsContact O-CG 3.3Å; M130-F134 WeakPolarHBondContact O-CG 3.39Å; M130-F134 PolarHBondContact O-N 3.32Å; M130-L407 HydrophobicContact CE-CD1 3.53Å; M130-L407 HydrophobicContact SD-CD1 3.56Å; M130-L407 VanDerWaalsContact SD-CD1 3.56Å
131G96.6Very high96.3Very high1 Ų115.4 Ų15.41%0.018%0.084CC..Hα-helixtrans-57.8-48.517400000112.2P127 A128 L129 V133 F134 W135 W243 C404P127-G131 PolarHBondContact O-N 3.26Å; A128-G131 PolarHBondContact O-N 3.42Å; L129-G131 VanDerWaalsContact C-N 3.32Å; L129-G131 PolarHBondContact O-N 2.78Å; G131-V133 PolarHBondContact O-N 3.1Å; G131-F134 PolarHBondContact O-N 3.36Å; G131-W135 WeakPolarHBondContact O-CB 2.99Å; G131-W135 PolarHBondContact O-N 2.8Å; G131-W243 VanDerWaalsContact C-CZ2 3.48Å; G131-W243 WeakPolarHBondContact O-CZ2 3.31Å; G131-C404 VanDerWaalsContact CA-O 3.25Å; G131-C404 WeakPolarHBondContact CA-O 3.39Å; G131-C404 WeakPolarHBondContact O-CB 3.21Å
132E96.9Very high96.3Very high1 Ų115.4 Ų15.41%0.0058%0.084CC..Hα-helixtrans-64.3-39.8177.9-61-67.8-173.100112.5A128 L129 M130 W135 S136 W243 V245 S346 S349 A350 M353A128-E132 WeakPolarHBondContact O-CG 3.49Å; A128-E132 PolarHBondContact O-N 2.98Å; A128-E132 VanDerWaalsContact O-N 3.09Å; L129-E132 PolarHBondContact O-N 3.2Å; M130-E132 PolarHBondContact O-N 2.92Å; E132-W135 PolarHBondContact O-N 2.88Å; E132-S136 WeakPolarHBondContact O-CB 3.09Å; E132-S136 PolarHBondContact O-N 3.01Å; E132-S136 PolarHBondContact O-OG 3.18Å; E132-W243 PolarHBondContact OE1-NE1 3.25Å; E132-W243 VanDerWaalsContact OE1-NE1 3.13Å; E132-W243 PolarHBondContact OE2-NE1 3.35Å; E132-V245 WeakPolarHBondContact OE1-CG2 3.22Å; E132-S346 WeakPolarHBondContact CA-OG 3.13Å; E132-S346 PolarHBondContact O-OG 2.7Å; E132-S346 WeakPolarHBondContact OE2-CA 3.21Å; E132-S346 WeakPolarHBondContact OE2-CB 3.26Å; E132-S346 PolarHBondContact OE2-OG 3.4Å; E132-S349 PolarHBondContact OE1-OG 2.63Å; E132-A350 HydrophobicContact CB-CB 3.8Å; E132-A350 HydrophobicContact CG-CB 4.01Å; E132-M353 HydrophobicContact CG-CE 3.98Å
133V96.4Very high96.1Very high6 Ų614.2 Ų14.24%0.0367%0.072CC..Hα-helixtrans-66.5-43.7179.3167.20000111.4L129 M130 G131 G137 V383 M386 M390L129-V133 HydrophobicContact CD1-CG2 3.99Å; L129-V133 HydrophobicContact CG-CG2 4.25Å; L129-V133 WeakPolarHBondContact O-CB 3.41Å; L129-V133 VanDerWaalsContact O-CG2 3.29Å; L129-V133 WeakPolarHBondContact O-CG2 3.48Å; L129-V133 PolarHBondContact O-N 2.81Å; M130-V133 PolarHBondContact O-N 3.26Å; G131-V133 PolarHBondContact O-N 3.1Å; V133-G137 PolarHBondContact O-N 3.25Å; V133-V383 HydrophobicContact CG2-CG1 4.24Å; V133-M386 HydrophobicContact CG1-CB 3.96Å; V133-M386 HydrophobicContact CG2-CB 4.08Å; V133-M386 HydrophobicContact CG2-CE 4.03Å; V133-M386 HydrophobicContact CG2-SD 4.4Å; V133-M390 HydrophobicContact CG1-CG 3.69Å
134F95.5Very high95.9Very high27 Ų2711.1 Ų11.112%0.1186%0.056CC..Hα-helixtrans-67.2-40.3177.2-65.9-20.2000111.9M130 G131 G137 A138 M390 I403 C404M130-F134 HydrophobicContact CE-CE2 4.14Å; M130-F134 HydrophobicContact CE-CZ 3.96Å; M130-F134 WeakPolarHBondContact O-CB 3.2Å; M130-F134 WeakPolarHBondContact O-CD2 3.22Å; M130-F134 VanDerWaalsContact O-CG 3.3Å; M130-F134 WeakPolarHBondContact O-CG 3.39Å; M130-F134 PolarHBondContact O-N 3.32Å; G131-F134 PolarHBondContact O-N 3.36Å; F134-G137 PolarHBondContact O-N 2.92Å; F134-A138 PolarHBondContact O-N 3.36Å; F134-M390 HydrophobicContact CD1-CE 3.93Å; F134-M390 HydrophobicContact CD1-CG 4.16Å; F134-M390 HydrophobicContact CD1-SD 4.39Å; F134-M390 HydrophobicContact CE1-CE 3.65Å; F134-M390 HydrophobicContact CE1-CG 4.37Å; F134-M390 HydrophobicContact CE1-SD 4.03Å; F134-I403 HydrophobicContact CB-CG2 4.36Å; F134-I403 HydrophobicContact CD2-CG2 3.86Å; F134-I403 HydrophobicContact CE2-CG2 4.41Å; F134-I403 HydrophobicContact CG-CG2 4.22Å; F134-C404 HydrophobicContact CB-CB 3.69Å
135W96.1Very high95.6Very high3 Ų311.1 Ų11.11%0.0116%0.056CC..Hα-helixtrans-67.8-44.3176.4-176.723.7000112.6T57 G131 E132 G137 A138 T139 W243 V245 W401 C404T57-W135 HydrophobicContact CG2-CH2 4.01Å; T57-W135 WeakPolarHBondContact O-CH2 3.48Å; T57-W135 WeakPolarHBondContact O-CZ2 3.43Å; G131-W135 WeakPolarHBondContact O-CB 2.99Å; G131-W135 PolarHBondContact O-N 2.8Å; E132-W135 PolarHBondContact O-N 2.88Å; W135-G137 VanDerWaalsContact C-N 3.29Å; W135-G137 PolarHBondContact O-N 2.92Å; W135-A138 WeakPolarHBondContact O-CB 3.2Å; W135-A138 PolarHBondContact O-N 2.85Å; W135-T139 WeakPolarHBondContact O-CB 3.48Å; W135-T139 PolarHBondContact O-N 3.32Å; W135-T139 PolarHBondContact O-OG1 3.32Å; W135-W243 HydrophobicContact CB-CZ2 4.1Å; W135-W243 HydrophobicContact CD2-CZ2 4.47Å; W135-W243 AromaticContact CE3-CE2 3.74Å; W135-W243 AromaticContact CE3-CZ2 3.9Å; W135-W243 HydrophobicContact CE3-CZ2 3.9Å; W135-W243 AromaticContact CE3-NE1 3.28Å; W135-W243 VanDerWaalsContact CE3-NE1 3.28Å; W135-W243 AromaticContact CZ3-CD1 3.86Å; W135-W243 AromaticContact CZ3-NE1 3.37Å; W135-V245 HydrophobicContact CE3-CG2 4.38Å; W135-V245 HydrophobicContact CH2-CB 4.37Å; W135-V245 HydrophobicContact CH2-CG1 4.08Å; W135-V245 HydrophobicContact CH2-CG2 4.4Å; W135-V245 HydrophobicContact CZ3-CB 3.85Å; W135-V245 HydrophobicContact CZ3-CG1 4.03Å; W135-V245 HydrophobicContact CZ3-CG2 3.6Å; W135-W401 AromaticContact CD1-CD1 3.5Å; W135-W401 AromaticContact CD1-NE1 3.94Å; W135-W401 AromaticContact NE1-CD1 3.81Å; W135-W401 AromaticContact NE1-NE1 3.78Å; W135-C404 HydrophobicContact CB-CB 3.98Å
136S95.8Very high95.2Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-59.5-42.6173-680000110.8E132 T139 L140 S346E132-S136 WeakPolarHBondContact O-CB 3.09Å; E132-S136 PolarHBondContact O-N 3.01Å; E132-S136 PolarHBondContact O-OG 3.18Å; S136-T139 PolarHBondContact O-N 3.13Å; S136-L140 WeakPolarHBondContact O-CB 3.41Å; S136-L140 WeakPolarHBondContact O-CG 3.41Å; S136-L140 PolarHBondContact O-N 3.02Å; S136-S346 WeakPolarHBondContact OG-CB 3.38Å; S136-S346 PolarHBondContact OG-OG 2.85Å
137G95.8Very high94.7Very high0 Ų07 Ų70%04%0.035CC..Hα-helixtrans-60.7-47.1175.900000112.7V133 F134 W135 T139 L140 S141 A387 A391V133-G137 PolarHBondContact O-N 3.25Å; F134-G137 PolarHBondContact O-N 2.92Å; W135-G137 VanDerWaalsContact C-N 3.29Å; W135-G137 PolarHBondContact O-N 2.92Å; G137-T139 PolarHBondContact O-N 3.1Å; G137-L140 PolarHBondContact O-N 3.49Å; G137-S141 WeakPolarHBondContact O-CB 2.99Å; G137-S141 PolarHBondContact O-N 3.3Å; G137-A387 VanDerWaalsContact CA-O 3.3Å; G137-A387 WeakPolarHBondContact CA-O 3.31Å; G137-A391 VanDerWaalsContact O-CB 3.32Å; G137-A391 WeakPolarHBondContact O-CB 3.06Å
138A95.9Very high94.3Very high0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-56.1-42.6174.300000111.4F134 W135 S141 A142 L400 W401F134-A138 PolarHBondContact O-N 3.36Å; W135-A138 WeakPolarHBondContact O-CB 3.2Å; W135-A138 PolarHBondContact O-N 2.85Å; A138-S141 PolarHBondContact O-N 2.76Å; A138-A142 WeakPolarHBondContact O-CB 3.4Å; A138-A142 PolarHBondContact O-N 2.74Å; A138-L400 HydrophobicContact CB-CB 3.58Å; A138-W401 HydrophobicContact CB-CB 3.93Å
139T95.2Very high93.8Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-71.6-40.5-176.3-57.20000112.3W135 S136 G137 A142 L143 T339 A343W135-T139 WeakPolarHBondContact O-CB 3.48Å; W135-T139 PolarHBondContact O-N 3.32Å; W135-T139 PolarHBondContact O-OG1 3.32Å; S136-T139 PolarHBondContact O-N 3.13Å; G137-T139 PolarHBondContact O-N 3.1Å; T139-A142 PolarHBondContact O-N 2.61Å; T139-L143 PolarHBondContact O-N 3.26Å; T139-T339 WeakPolarHBondContact CG2-O 3.1Å; T139-A343 HydrophobicContact CG2-CB 3.91Å
140L95Very high93.1Very high0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-68.6-37.2174.2-69179.3000111.9S136 G137 L143 G144 A163 A166 A343 A387 A391S136-L140 WeakPolarHBondContact O-CB 3.41Å; S136-L140 WeakPolarHBondContact O-CG 3.41Å; S136-L140 PolarHBondContact O-N 3.02Å; G137-L140 PolarHBondContact O-N 3.49Å; L140-L143 PolarHBondContact O-N 3.2Å; L140-G144 PolarHBondContact O-N 2.82Å; L140-A163 HydrophobicContact CD1-CB 3.91Å; L140-A163 HydrophobicContact CD2-CB 4.38Å; L140-A166 HydrophobicContact CD2-CB 3.84Å; L140-A343 HydrophobicContact CD2-CB 4.21Å; L140-A387 HydrophobicContact CD1-CB 3.82Å; L140-A391 HydrophobicContact CB-CB 4.09Å
141S94.6Very high92.5Very high0 Ų04 Ų40%02%0.022CC..Hα-helixtrans-61.4-44.4172.4-176.40000110.9G137 A138 L143 G144 A145 I397G137-S141 WeakPolarHBondContact O-CB 2.99Å; G137-S141 PolarHBondContact O-N 3.3Å; A138-S141 PolarHBondContact O-N 2.76Å; S141-L143 PolarHBondContact O-N 2.71Å; S141-G144 PolarHBondContact O-N 3Å; S141-A145 VanDerWaalsContact O-CB 3.3Å; S141-A145 WeakPolarHBondContact O-CB 3.42Å; S141-A145 PolarHBondContact O-N 2.75Å; S141-I397 WeakPolarHBondContact OG-CG1 3.36Å
142A94.6Very high91.9Very high0 Ų08.3 Ų8.30%04%0.04CC..Hα-helixtrans-62.2-41.1174.300000113.6G61 N65 A138 T139 A145 S146 T339 I397G61-A142 VanDerWaalsContact CA-CB 3.43Å; N65-A142 HydrophobicContact CB-CB 3.9Å; N65-A142 PolarHBondContact ND2-O 2.79Å; A138-A142 WeakPolarHBondContact O-CB 3.4Å; A138-A142 PolarHBondContact O-N 2.74Å; T139-A142 PolarHBondContact O-N 2.61Å; A142-A145 PolarHBondContact O-N 2.81Å; A142-S146 PolarHBondContact O-N 3.36Å; A142-S146 PolarHBondContact O-OG 2.95Å; A142-T339 HydrophobicContact CB-CG2 3.87Å; A142-I397 VanDerWaalsContact CA-CD1 3.47Å; A142-I397 HydrophobicContact CB-CD1 3.85Å; A142-I397 HydrophobicContact CB-CG1 4.26Å; A142-I397 HydrophobicContact CB-CG2 3.99Å
143L91.3Very high91.4Very high1 Ų110.5 Ų10.51%0.0055%0.051CC..Hα-helixtrans-66.4-42.2176.1-177.254.8000111.4Y15 T139 L140 S141 S146 L147 S162 T339Y15-L143 WeakPolarHBondContact OH-CD1 3.32Å; T139-L143 PolarHBondContact O-N 3.26Å; L140-L143 PolarHBondContact O-N 3.2Å; S141-L143 PolarHBondContact O-N 2.71Å; L143-S146 PolarHBondContact O-N 2.96Å; L143-L147 WeakPolarHBondContact O-CB 3.18Å; L143-L147 PolarHBondContact O-N 2.79Å; L143-S162 WeakPolarHBondContact CG-OG 3.36Å; L143-T339 HydrophobicContact CB-CG2 4.33Å; L143-T339 WeakPolarHBondContact CB-OG1 3.22Å; L143-T339 WeakPolarHBondContact CD1-OG1 3.39Å
144G92.4Very high91.1Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-63.1-43.5174.800000112.3L140 S141 S146 L147 S148 S158L140-G144 PolarHBondContact O-N 2.82Å; S141-G144 PolarHBondContact O-N 3Å; G144-S146 PolarHBondContact O-N 3Å; G144-L147 CarbonylContact O-C 3.57Å; G144-L147 PolarHBondContact O-N 3.03Å; G144-L147 VanDerWaalsContact O-N 3.16Å; G144-S148 WeakPolarHBondContact O-CB 3.22Å; G144-S148 PolarHBondContact O-N 3.26Å; G144-S158 WeakPolarHBondContact O-CB 3.5Å
145A91.2Very high90.7Very high0 Ų014.1 Ų14.10%08%0.076CC..Hα-helixtrans-56.5-48.5174.300000111.6S141 A142 S148 V149 L313 P316 I397S141-A145 VanDerWaalsContact O-CB 3.3Å; S141-A145 WeakPolarHBondContact O-CB 3.42Å; S141-A145 PolarHBondContact O-N 2.75Å; A142-A145 PolarHBondContact O-N 2.81Å; A145-S148 PolarHBondContact O-N 3.32Å; A145-S148 PolarHBondContact O-OG 3.35Å; A145-V149 PolarHBondContact O-N 3.15Å; A145-L313 HydrophobicContact CB-CD2 3.5Å; A145-P316 HydrophobicContact CB-CG 4.49Å; A145-I397 HydrophobicContact CB-CD1 4.19Å
146S88.9Confident90.5Very high0 Ų018.6 Ų18.60%010%0.1CC..Hα-helixtrans-61.3-46175-64.60000111.7A142 L143 G144 S148 V149 I150 V335A142-S146 PolarHBondContact O-N 3.36Å; A142-S146 PolarHBondContact O-OG 2.95Å; L143-S146 PolarHBondContact O-N 2.96Å; G144-S146 PolarHBondContact O-N 3Å; S146-S148 VanDerWaalsContact C-N 3.35Å; S146-S148 PolarHBondContact O-N 3.37Å; S146-V149 PolarHBondContact O-N 2.89Å; S146-I150 WeakPolarHBondContact O-CD1 3.48Å; S146-I150 WeakPolarHBondContact O-CG1 3.31Å; S146-I150 PolarHBondContact O-N 2.98Å; S146-I150 VanDerWaalsContact O-N 3.08Å; S146-V335 WeakPolarHBondContact OG-CG1 3.35Å
147L87.8Confident90.3Very high6 Ų623.3 Ų23.33%0.03112%0.124CC..Hα-helixtrans-65.3-36.1-179-172.767000112.9L11 L143 G144 I150 L151 A161L11-L147 HydrophobicContact CD1-CD1 3.61Å; L11-L147 HydrophobicContact CD2-CD1 3.5Å; L11-L147 HydrophobicContact CG-CD1 4.16Å; L143-L147 WeakPolarHBondContact O-CB 3.18Å; L143-L147 PolarHBondContact O-N 2.79Å; G144-L147 CarbonylContact O-C 3.57Å; G144-L147 PolarHBondContact O-N 3.03Å; G144-L147 VanDerWaalsContact O-N 3.16Å; L147-I150 PolarHBondContact O-N 3.06Å; L147-L151 HydrophobicContact CD1-CD1 3.41Å; L147-L151 VanDerWaalsContact CD1-CD1 3.41Å; L147-L151 HydrophobicContact CD1-CG 3.7Å; L147-L151 HydrophobicContact CD2-CD1 4.44Å; L147-L151 HydrophobicContact CG-CD1 3.82Å; L147-L151 HydrophobicContact CG-CG 4.22Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 PolarHBondContact O-N 2.95Å; L147-A161 HydrophobicContact CD2-CB 4.13Å
148S89.4Confident90.1Very high11 Ų1123.3 Ų23.38%0.07712%0.124CC..Hα-helixtrans-64.4-42.7179750000111.6G144 A145 S146 K152 I153 S158G144-S148 WeakPolarHBondContact O-CB 3.22Å; G144-S148 PolarHBondContact O-N 3.26Å; A145-S148 PolarHBondContact O-N 3.32Å; A145-S148 PolarHBondContact O-OG 3.35Å; S146-S148 VanDerWaalsContact C-N 3.35Å; S146-S148 PolarHBondContact O-N 3.37Å; S148-K152 WeakPolarHBondContact O-CA 3.39Å; S148-K152 PolarHBondContact O-N 2.74Å; S148-I153 WeakPolarHBondContact CB-O 3.31Å; S148-I153 PolarHBondContact O-N 3.48Å; S148-S158 VanDerWaalsContact CA-OG 3.28Å; S148-S158 WeakPolarHBondContact CA-OG 3.3Å; S148-S158 WeakPolarHBondContact CB-OG 3.14Å; S148-S158 PolarHBondContact N-OG 2.87Å
149V87.6Confident90Very high11 Ų1123.3 Ų23.37%0.06712%0.124CC..Hα-helixtrans-68.8-45.8177.51750000110.5A145 S146 L313 P316 L317 D320A145-V149 PolarHBondContact O-N 3.15Å; S146-V149 PolarHBondContact O-N 2.89Å; V149-L313 HydrophobicContact CG2-CB 4.33Å; V149-L313 HydrophobicContact CG2-CD1 4.3Å; V149-L313 HydrophobicContact CG2-CD2 4.39Å; V149-P316 HydrophobicContact CB-CB 3.96Å; V149-P316 HydrophobicContact CG1-CB 4.28Å; V149-P316 HydrophobicContact CG2-CB 3.85Å; V149-P316 HydrophobicContact CG2-CG 4.03Å; V149-L317 HydrophobicContact CG2-CD2 4.2Å; V149-D320 HydrophobicContact CG1-CB 3.59Å
150I81.9Confident90Very high4 Ų426.8 Ų26.82%0.02114%0.142CC..Hα-helixtrans-60.8-58.3178.9-61.6160.5000110.1N4 G7 L11 S146 L147 K152 L332N4-I150 WeakPolarHBondContact CB-O 3.42Å; G7-I150 VanDerWaalsContact C-CG2 3.45Å; L11-I150 HydrophobicContact CD1-CD1 4.27Å; S146-I150 WeakPolarHBondContact O-CD1 3.48Å; S146-I150 WeakPolarHBondContact O-CG1 3.31Å; S146-I150 PolarHBondContact O-N 2.98Å; S146-I150 VanDerWaalsContact O-N 3.08Å; L147-I150 PolarHBondContact O-N 3.06Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 3.45Å; I150-L332 HydrophobicContact CD1-CB 3.6Å; I150-L332 HydrophobicContact CD1-CD1 4.29Å; I150-L332 HydrophobicContact CD1-CD2 4.42Å; I150-L332 HydrophobicContact CD1-CG 4.3Å; I150-L332 HydrophobicContact CG1-CB 3.72Å; I150-L332 HydrophobicContact CG1-CD1 3.41Å; I150-L332 VanDerWaalsContact CG1-CD1 3.41Å; I150-L332 HydrophobicContact CG1-CD2 4.16Å; I150-L332 HydrophobicContact CG1-CG 3.94Å
151L83.7Confident89.8Confident14 Ų1428.7 Ų28.77%0.07316%0.158CC..Hα-helixtrans-82.6-11.6-170.8-60.7-172.5000113.4F3 L8 L147 I153F3-L151 HydrophobicContact CE1-CD2 4.46Å; F3-L151 HydrophobicContact CE2-CB 4.3Å; F3-L151 HydrophobicContact CE2-CD2 4.38Å; F3-L151 HydrophobicContact CZ-CD2 3.88Å; L8-L151 HydrophobicContact CB-CD2 3.55Å; L8-L151 HydrophobicContact CD1-CD1 4.09Å; L8-L151 HydrophobicContact CD1-CD2 3.62Å; L8-L151 HydrophobicContact CG-CD2 4.15Å; L147-L151 HydrophobicContact CD1-CD1 3.41Å; L147-L151 VanDerWaalsContact CD1-CD1 3.41Å; L147-L151 HydrophobicContact CD1-CG 3.7Å; L147-L151 HydrophobicContact CD2-CD1 4.44Å; L147-L151 HydrophobicContact CG-CD1 3.82Å; L147-L151 HydrophobicContact CG-CG 4.22Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 PolarHBondContact O-N 2.95Å; L151-I153 HydrophobicContact CB-CB 4.44Å; L151-I153 HydrophobicContact CB-CD1 4.07Å; L151-I153 HydrophobicContact CB-CG1 3.97Å; L151-I153 HydrophobicContact CB-CG2 3.9Å; L151-I153 HydrophobicContact CD1-CD1 3.84Å; L151-I153 PolarHBondContact O-N 3.15Å
152K84.1Confident89.4Confident90 Ų9028.7 Ų28.739%0.39116%0.158SC..THydrogen-bonded Turntrans54.642.9-173-55-173.6177-172.40111.4S148 I150S148-K152 WeakPolarHBondContact O-CA 3.39Å; S148-K152 PolarHBondContact O-N 2.74Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 3.45Å
153I87Confident89.3Confident47 Ų4728.9 Ų28.924%0.24116%0.159CC..  trans-111.4159.4176.467.9179.6000109.6S148 L151 I157 S158S148-I153 WeakPolarHBondContact CB-O 3.31Å; S148-I153 PolarHBondContact O-N 3.48Å; L151-I153 HydrophobicContact CB-CB 4.44Å; L151-I153 HydrophobicContact CB-CD1 4.07Å; L151-I153 HydrophobicContact CB-CG1 3.97Å; L151-I153 HydrophobicContact CB-CG2 3.9Å; L151-I153 HydrophobicContact CD1-CD1 3.84Å; L151-I153 PolarHBondContact O-N 3.15Å; I153-I157 HydrophobicContact CD1-CG2 4.32Å; I153-S158 WeakPolarHBondContact CD1-OG 3.35Å; I153-S158 WeakPolarHBondContact CG1-OG 3.47Å
154P89Confident89.3Confident80 Ų8032.5 Ų32.552%0.51918%0.184SC..  trans-54.2145.5176.2-26.535.2000113.1D156 I157 S158P154-D156 PolarHBondContact O-N 2.71Å; P154-I157 HydrophobicContact CB-CD1 4.3Å; P154-I157 HydrophobicContact CB-CG1 4.34Å; P154-I157 HydrophobicContact CG-CD1 4.09Å; P154-I157 PolarHBondContact O-N 3.4Å; P154-S158 PolarHBondContact O-N 3.13Å; P154-S158 VanDerWaalsContact O-N 3.1Å; P154-S158 PolarHBondContact O-OG 3.16Å
155D86.4Confident88.9Confident30 Ų3035 Ų3516%0.1620%0.199CC..Hα-helixtrans-59.6-45.8-176.8-171.263.3000111.9I157 S158 V159 K312D155-I157 VanDerWaalsContact C-N 3.32Å; D155-I157 PolarHBondContact O-N 2.66Å; D155-S158 CarbonylContact O-C 3.56Å; D155-S158 WeakPolarHBondContact O-CA 3.4Å; D155-S158 WeakPolarHBondContact O-CB 3.37Å; D155-S158 PolarHBondContact O-N 2.78Å; D155-V159 WeakPolarHBondContact O-CG2 3.43Å; D155-V159 PolarHBondContact O-N 3.36Å; D155-K312 WeakPolarHBondContact OD2-CE 3.17Å; D155-K312 IonicContact OD2-NZ 3.27Å; D155-K312 PolarHBondContact OD2-NZ 2.81Å
156D92.1Very high88.6Confident96 Ų9635 Ų3551%0.51320%0.199SC..Hα-helixtrans-57-44.3179.8-60.8-7.8000112.7P154 S158 V159 I160 L392P154-D156 PolarHBondContact O-N 2.71Å; D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 PolarHBondContact O-N 3.33Å; D156-V159 PolarHBondContact O-N 2.73Å; D156-I160 WeakPolarHBondContact O-CD1 3.46Å; D156-I160 VanDerWaalsContact O-CG1 3.22Å; D156-I160 WeakPolarHBondContact O-CG1 3.42Å; D156-I160 PolarHBondContact O-N 3.44Å; D156-L392 HydrophobicContact CB-CD2 3.95Å
157I93.1Very high88.7Confident99 Ų9935.8 Ų35.851%0.50820%0.204SC..Hα-helixtrans-66.2-37.8178.5-59.8179.6000109.8I153 P154 D155 I160 A161I153-I157 HydrophobicContact CD1-CG2 4.32Å; P154-I157 HydrophobicContact CB-CD1 4.3Å; P154-I157 HydrophobicContact CB-CG1 4.34Å; P154-I157 HydrophobicContact CG-CD1 4.09Å; P154-I157 PolarHBondContact O-N 3.4Å; D155-I157 VanDerWaalsContact C-N 3.32Å; D155-I157 PolarHBondContact O-N 2.66Å; I157-I160 PolarHBondContact O-N 2.54Å; I157-A161 WeakPolarHBondContact O-CB 3.35Å; I157-A161 PolarHBondContact O-N 3.32Å
158S91.8Very high88.6Confident0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-62.8-50.8177.2-56.60000110.8G144 S148 I153 P154 D155 D156 I160 A161 S162G144-S158 WeakPolarHBondContact O-CB 3.5Å; S148-S158 VanDerWaalsContact CA-OG 3.28Å; S148-S158 WeakPolarHBondContact CA-OG 3.3Å; S148-S158 WeakPolarHBondContact CB-OG 3.14Å; S148-S158 PolarHBondContact N-OG 2.87Å; I153-S158 WeakPolarHBondContact CD1-OG 3.35Å; I153-S158 WeakPolarHBondContact CG1-OG 3.47Å; P154-S158 PolarHBondContact O-N 3.13Å; P154-S158 VanDerWaalsContact O-N 3.1Å; P154-S158 PolarHBondContact O-OG 3.16Å; D155-S158 CarbonylContact O-C 3.56Å; D155-S158 WeakPolarHBondContact O-CA 3.4Å; D155-S158 WeakPolarHBondContact O-CB 3.37Å; D155-S158 PolarHBondContact O-N 2.78Å; D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 PolarHBondContact O-N 3.33Å; S158-I160 VanDerWaalsContact C-N 3.34Å; S158-I160 PolarHBondContact O-N 3.23Å; S158-A161 PolarHBondContact O-N 2.89Å; S158-S162 VanDerWaalsContact O-CB 3.27Å; S158-S162 WeakPolarHBondContact O-CB 3.26Å; S158-S162 PolarHBondContact O-N 3.47Å; S158-S162 PolarHBondContact O-OG 3.31Å
159V93.1Very high88Confident0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-59.3-43.4178173.30000111.5D155 D156 S162 A163 M388 A391 L392D155-V159 WeakPolarHBondContact O-CG2 3.43Å; D155-V159 PolarHBondContact O-N 3.36Å; D156-V159 PolarHBondContact O-N 2.73Å; V159-S162 WeakPolarHBondContact O-CB 3.47Å; V159-S162 PolarHBondContact O-N 3.34Å; V159-A163 WeakPolarHBondContact O-CB 3.46Å; V159-A163 PolarHBondContact O-N 3Å; V159-M388 HydrophobicContact CG1-CG 4.48Å; V159-A391 HydrophobicContact CG1-CB 3.6Å; V159-L392 HydrophobicContact CB-CD2 3.81Å; V159-L392 HydrophobicContact CB-CG 4.49Å; V159-L392 HydrophobicContact CG1-CD2 3.81Å; V159-L392 HydrophobicContact CG1-CG 3.95Å; V159-L392 HydrophobicContact CG2-CD2 4.44Å
160I95Very high87.9Confident74 Ų7441.4 Ų41.438%0.37923%0.226SC..Hα-helixtrans-63.4-45177.8-68.1164.5000111.2D156 I157 S158 A163 C164 M388 L392D156-I160 WeakPolarHBondContact O-CD1 3.46Å; D156-I160 VanDerWaalsContact O-CG1 3.22Å; D156-I160 WeakPolarHBondContact O-CG1 3.42Å; D156-I160 PolarHBondContact O-N 3.44Å; I157-I160 PolarHBondContact O-N 2.54Å; S158-I160 VanDerWaalsContact C-N 3.34Å; S158-I160 PolarHBondContact O-N 3.23Å; I160-A163 PolarHBondContact O-N 3.29Å; I160-C164 PolarHBondContact O-N 3.08Å; I160-C164 PolarHBondContact O-SG 3.4Å; I160-M388 HydrophobicContact CB-SD 4.38Å; I160-M388 HydrophobicContact CG1-SD 4.02Å; I160-M388 HydrophobicContact CG2-SD 4.39Å; I160-L392 HydrophobicContact CD1-CD1 4.48Å; I160-L392 HydrophobicContact CG1-CD1 4.12Å
161A89.9Confident88.1Confident40 Ų4044.4 Ų44.433%0.33124%0.239SC..Hα-helixtrans-62.6-45.8177.600000111.1L147 I157 S158 A163 C164 V165L147-A161 HydrophobicContact CD2-CB 4.13Å; I157-A161 WeakPolarHBondContact O-CB 3.35Å; I157-A161 PolarHBondContact O-N 3.32Å; S158-A161 PolarHBondContact O-N 2.89Å; A161-A163 PolarHBondContact O-N 2.91Å; A161-C164 PolarHBondContact O-N 3.46Å; A161-V165 WeakPolarHBondContact O-CG2 3.34Å; A161-V165 PolarHBondContact O-N 3.37Å
162S88.3Confident87.9Confident0 Ų046.4 Ų46.40%025%0.253CS..Hα-helixtrans-58-45.1175.9-65.70000112.4L143 S158 V159 A166L143-S162 WeakPolarHBondContact CG-OG 3.36Å; S158-S162 VanDerWaalsContact O-CB 3.27Å; S158-S162 WeakPolarHBondContact O-CB 3.26Å; S158-S162 PolarHBondContact O-N 3.47Å; S158-S162 PolarHBondContact O-OG 3.31Å; V159-S162 WeakPolarHBondContact O-CB 3.47Å; V159-S162 PolarHBondContact O-N 3.34Å; S162-A166 VanDerWaalsContact O-CB 3.28Å; S162-A166 WeakPolarHBondContact O-CB 3.41Å; S162-A166 PolarHBondContact O-N 2.54Å
163A92.3Very high87.5Confident3 Ų342.7 Ų42.73%0.02524%0.241CC..Hα-helixtrans-63.9-45.2176.500000112.1L140 V159 I160 A161 V165 A166 V167 M388L140-A163 HydrophobicContact CD1-CB 3.91Å; L140-A163 HydrophobicContact CD2-CB 4.38Å; V159-A163 WeakPolarHBondContact O-CB 3.46Å; V159-A163 PolarHBondContact O-N 3Å; I160-A163 PolarHBondContact O-N 3.29Å; A161-A163 PolarHBondContact O-N 2.91Å; A163-V165 PolarHBondContact O-N 2.77Å; A163-A166 PolarHBondContact O-N 3.38Å; A163-V167 WeakPolarHBondContact O-CB 3.37Å; A163-V167 VanDerWaalsContact O-CG2 3.29Å; A163-V167 WeakPolarHBondContact O-CG2 3.24Å; A163-V167 PolarHBondContact O-N 3Å; A163-M388 HydrophobicContact CB-CB 3.81Å; A163-M388 HydrophobicContact CB-CG 3.75Å; A163-M388 HydrophobicContact CB-SD 3.88Å
164C90.4Very high87.3Confident78 Ų7841 Ų4153%0.52723%0.234SC..Hα-helixtrans-58.8-47.8177.8-71.10000111.8I160 A161 A166 F168I160-C164 PolarHBondContact O-N 3.08Å; I160-C164 PolarHBondContact O-SG 3.4Å; A161-C164 PolarHBondContact O-N 3.46Å; C164-A166 VanDerWaalsContact C-N 3.34Å; C164-F168 VanDerWaalsContact O-CB 3.24Å; C164-F168 WeakPolarHBondContact O-CB 3.37Å; C164-F168 PolarHBondContact O-N 3.3Å
165V84.2Confident87.1Confident52 Ų5237.1 Ų37.132%0.31521%0.209SC..Hα-helixtrans-60.3-48.6176.51730000109.6Y15 A161 A163 V167 F168 Y169 M340Y15-V165 HydrophobicContact CD2-CG1 4.14Å; Y15-V165 HydrophobicContact CE2-CG1 4.05Å; Y15-V165 HydrophobicContact CE2-CG2 4.34Å; A161-V165 WeakPolarHBondContact O-CG2 3.34Å; A161-V165 PolarHBondContact O-N 3.37Å; A163-V165 PolarHBondContact O-N 2.77Å; V165-V167 PolarHBondContact O-N 3.01Å; V165-F168 PolarHBondContact O-N 2.93Å; V165-Y169 VanDerWaalsContact O-CD1 3.28Å; V165-Y169 WeakPolarHBondContact O-CD1 3.36Å; V165-Y169 PolarHBondContact O-N 3.33Å; V165-Y169 VanDerWaalsContact O-N 3.16Å; V165-M340 HydrophobicContact CG1-SD 4.29Å
166A85.4Confident86.9Confident0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-62-45.5-175.300000113.4L140 S162 A163 C164 Y169 T170 A343L140-A166 HydrophobicContact CD2-CB 3.84Å; S162-A166 VanDerWaalsContact O-CB 3.28Å; S162-A166 WeakPolarHBondContact O-CB 3.41Å; S162-A166 PolarHBondContact O-N 2.54Å; A163-A166 PolarHBondContact O-N 3.38Å; C164-A166 VanDerWaalsContact C-N 3.34Å; A166-Y169 HydrophobicContact CB-CE1 4.08Å; A166-Y169 WeakPolarHBondContact O-CD1 3.12Å; A166-Y169 WeakPolarHBondContact O-CE1 3.49Å; A166-T170 WeakPolarHBondContact O-CB 3.26Å; A166-T170 PolarHBondContact O-N 3Å; A166-T170 PolarHBondContact O-OG1 3.44Å; A166-A343 HydrophobicContact CB-CB 4.28Å
167V89.5Confident86.5Confident17 Ų1732.5 Ų32.510%0.10318%0.184CC..Hα-helixtrans-63.6-44.1175.8170.50000110.9A163 V165 Y169 T170 F171 I347 I380 L381A163-V167 WeakPolarHBondContact O-CB 3.37Å; A163-V167 VanDerWaalsContact O-CG2 3.29Å; A163-V167 WeakPolarHBondContact O-CG2 3.24Å; A163-V167 PolarHBondContact O-N 3Å; V165-V167 PolarHBondContact O-N 3.01Å; V167-Y169 PolarHBondContact O-N 3.13Å; V167-T170 PolarHBondContact O-N 3.45Å; V167-F171 WeakPolarHBondContact O-CB 3.5Å; V167-F171 PolarHBondContact O-N 3.06Å; V167-I347 HydrophobicContact CG2-CD1 4.47Å; V167-I380 HydrophobicContact CG1-CG2 4.3Å; V167-L381 HydrophobicContact CG1-CD1 3.96Å
168F85.8Confident86.1Confident129 Ų12927.9 Ų27.957%0.56616%0.16SC*.Hα-helixtrans-61-48.8-175.9178.5-101.4000112.6C164 V165 F171 C172C164-F168 VanDerWaalsContact O-CB 3.24Å; C164-F168 WeakPolarHBondContact O-CB 3.37Å; C164-F168 PolarHBondContact O-N 3.3Å; V165-F168 PolarHBondContact O-N 2.93Å; F168-F171 WeakPolarHBondContact O-CB 2.83Å; F168-F171 PolarHBondContact O-N 3.09Å; F168-C172 PolarHBondContact O-N 2.9Å; F168-C172 VanDerWaalsContact O-N 3.17Å; F168-C172 PolarHBondContact O-SG 2.75Å
169Y78Confident85.9Confident16 Ų1627.9 Ų27.96%0.06316%0.16CC..Hα-helixtrans-72.2-35.8-179.488.1-94.2000111.7V165 A166 V167 F171 C172 G173 M340 D344V165-Y169 VanDerWaalsContact O-CD1 3.28Å; V165-Y169 WeakPolarHBondContact O-CD1 3.36Å; V165-Y169 PolarHBondContact O-N 3.33Å; V165-Y169 VanDerWaalsContact O-N 3.16Å; A166-Y169 HydrophobicContact CB-CE1 4.08Å; A166-Y169 WeakPolarHBondContact O-CD1 3.12Å; A166-Y169 WeakPolarHBondContact O-CE1 3.49Å; V167-Y169 PolarHBondContact O-N 3.13Å; Y169-F171 VanDerWaalsContact C-N 3.28Å; Y169-F171 PolarHBondContact O-N 2.8Å; Y169-C172 PolarHBondContact O-N 3.25Å; Y169-G173 PolarHBondContact O-N 3.5Å; Y169-M340 HydrophobicContact CD1-CE 3.86Å; Y169-M340 HydrophobicContact CD1-CG 4.07Å; Y169-M340 HydrophobicContact CD1-SD 3.96Å; Y169-M340 HydrophobicContact CD2-CE 4.31Å; Y169-M340 HydrophobicContact CE1-CE 3.74Å; Y169-M340 HydrophobicContact CE1-CG 3.21Å; Y169-M340 HydrophobicContact CE1-SD 3.72Å; Y169-M340 HydrophobicContact CE2-CE 4.17Å; Y169-M340 HydrophobicContact CG-CE 4.16Å; Y169-M340 VanDerWaalsContact OH-C 3.27Å; Y169-M340 WeakPolarHBondContact OH-CG 3.5Å; Y169-M340 PolarHBondContact OH-O 3Å; Y169-D344 HydrophobicContact CE2-CB 3.49Å; Y169-D344 VanDerWaalsContact CE2-CB 3.49Å; Y169-D344 WeakPolarHBondContact CE2-OD2 3.3Å; Y169-D344 WeakPolarHBondContact OH-CB 3.28Å; Y169-D344 PolarHBondContact OH-N 3.42Å; Y169-D344 PolarHBondContact OH-OD2 2.84Å
170T86Confident85.6Confident1 Ų130.7 Ų30.71%0.00617%0.171CC..Hα-helixtrans-61.9-39.2174.9-53.50000111A166 V167 C172 G173 D344 I347 L348 I380A166-T170 WeakPolarHBondContact O-CB 3.26Å; A166-T170 PolarHBondContact O-N 3Å; A166-T170 PolarHBondContact O-OG1 3.44Å; V167-T170 PolarHBondContact O-N 3.45Å; T170-C172 VanDerWaalsContact C-N 3.33Å; T170-C172 PolarHBondContact O-N 2.85Å; T170-G173 PolarHBondContact O-N 3.25Å; T170-D344 HydrophobicContact CG2-CB 4.17Å; T170-D344 WeakPolarHBondContact OG1-CA 3.44Å; T170-D344 WeakPolarHBondContact OG1-CB 3.42Å; T170-I347 HydrophobicContact CG2-CB 4.38Å; T170-I347 HydrophobicContact CG2-CG2 4.17Å; T170-L348 HydrophobicContact CG2-CB 4.06Å; T170-I380 HydrophobicContact CG2-CD1 4.12Å; T170-I380 HydrophobicContact CG2-CG1 4.3Å; T170-I380 HydrophobicContact CG2-CG2 4.04Å
171F85.3Confident85.3Confident66 Ų6627.2 Ų27.229%0.28915%0.154SC..Hα-helixtrans-65-35.3176.5-178.8-82.9000113V167 F168 Y169 W374 K377 I380V167-F171 WeakPolarHBondContact O-CB 3.5Å; V167-F171 PolarHBondContact O-N 3.06Å; F168-F171 WeakPolarHBondContact O-CB 2.83Å; F168-F171 PolarHBondContact O-N 3.09Å; Y169-F171 VanDerWaalsContact C-N 3.28Å; Y169-F171 PolarHBondContact O-N 2.8Å; F171-W374 HydrophobicContact CZ-CZ3 4.44Å; F171-K377 HydrophobicContact CD2-CB 3.9Å; F171-K377 HydrophobicContact CD2-CG 4.2Å; F171-K377 HydrophobicContact CE1-CD 4.14Å; F171-K377 HydrophobicContact CE2-CB 3.55Å; F171-K377 HydrophobicContact CE2-CD 4.17Å; F171-K377 HydrophobicContact CE2-CG 4.09Å; F171-K377 HydrophobicContact CZ-CB 4.11Å; F171-K377 HydrophobicContact CZ-CD 3.92Å; F171-K377 HydrophobicContact CZ-CG 4.36Å; F171-K377 WeakPolarHBondContact O-CE 3.37Å; F171-I380 HydrophobicContact CB-CG2 4.28Å
172C79.7Confident85.3Confident57 Ų5725.3 Ų25.339%0.38514%0.138SC..Hα-helixtrans-79.4-27.3179.2-65.70000112.9F168 Y169 T170F168-C172 PolarHBondContact O-N 2.9Å; F168-C172 VanDerWaalsContact O-N 3.17Å; F168-C172 PolarHBondContact O-SG 2.75Å; Y169-C172 PolarHBondContact O-N 3.25Å; T170-C172 VanDerWaalsContact C-N 3.33Å; T170-C172 PolarHBondContact O-N 2.85Å
173G76.3Confident85.5Confident12 Ų1227 Ų2712%0.12415%0.148CC..  trans-95.5-174.6-175.200000114.9Y169 T170Y169-G173 PolarHBondContact O-N 3.5Å; T170-G173 PolarHBondContact O-N 3.25Å
174G82.6Confident85.3Confident10 Ų1029 Ų2910%0.10316%0.16CC..  trans-145.7-170.5166.600000108.5Y176 S177 V178G174-Y176 PolarHBondContact O-N 3.5Å; G174-Y176 VanDerWaalsContact O-N 3.09Å; G174-S177 WeakPolarHBondContact O-CB 3.25Å; G174-S177 PolarHBondContact O-N 3.44Å; G174-V178 PolarHBondContact O-N 2.87Å; G174-V178 VanDerWaalsContact O-N 3.15Å
175L83.9Confident85.3Confident0 Ų025.4 Ų25.40%014%0.135CC..Hα-helixtrans-57-33.8-175.2-175.564.6000113.1V38 M39 A41 I45 V178 A179 Q248 R249 S252 L348V38-L175 PolarHBondContact O-N 3.06Å; M39-L175 WeakPolarHBondContact O-CD2 3.49Å; A41-L175 HydrophobicContact CB-CB 4.13Å; A41-L175 HydrophobicContact CB-CD2 4.04Å; A41-L175 HydrophobicContact CB-CG 4.12Å; I45-L175 HydrophobicContact CD1-CD2 4.2Å; I45-L175 HydrophobicContact CD1-CG 4.35Å; L175-V178 PolarHBondContact O-N 3.48Å; L175-A179 VanDerWaalsContact O-CB 3.26Å; L175-A179 WeakPolarHBondContact O-CB 3Å; L175-A179 PolarHBondContact O-N 3.3Å; L175-Q248 HydrophobicContact CD1-CG 4.2Å; L175-Q248 HydrophobicContact CD2-CG 4.05Å; L175-R249 VanDerWaalsContact CD1-CZ 3.43Å; L175-S252 VanDerWaalsContact CD2-CB 3.49Å; L175-L348 HydrophobicContact CB-CD2 4.45Å
176Y83.6Confident85.7Confident21 Ų2123.9 Ų23.98%0.08213%0.125CC..Hα-helixtrans-64.5-42.8175.9-105.1-54.7000113.3E37 A41 N44 G174 V178 Y180E37-Y176 WeakPolarHBondContact OE1-CE2 3.29Å; A41-Y176 HydrophobicContact CB-CD1 4.09Å; A41-Y176 HydrophobicContact CB-CD2 3.4Å; A41-Y176 VanDerWaalsContact CB-CD2 3.4Å; A41-Y176 HydrophobicContact CB-CE1 4.25Å; A41-Y176 HydrophobicContact CB-CE2 3.6Å; A41-Y176 HydrophobicContact CB-CG 3.66Å; A41-Y176 WeakPolarHBondContact O-CE2 3.23Å; N44-Y176 WeakPolarHBondContact CB-OH 3.49Å; G174-Y176 PolarHBondContact O-N 3.5Å; G174-Y176 VanDerWaalsContact O-N 3.09Å; Y176-V178 VanDerWaalsContact C-N 3.34Å; Y176-Y180 HydrophobicContact CD1-CD2 4.05Å; Y176-Y180 AromaticContact CD1-CE2 3.74Å; Y176-Y180 HydrophobicContact CD1-CE2 3.74Å; Y176-Y180 AromaticContact CE1-CE2 3.93Å; Y176-Y180 HydrophobicContact CE1-CE2 3.93Å; Y176-Y180 WeakPolarHBondContact O-CD2 3.12Å; Y176-Y180 PolarHBondContact O-N 3.29Å
177S82.6Confident86Confident7 Ų727.7 Ų27.75%0.04915%0.148CC..Hα-helixtrans-58.8-51.7176.2179.20000109.5G22 G174 Y180 T181G22-S177 WeakPolarHBondContact CA-OG 3.27Å; G22-S177 PolarHBondContact O-OG 3.22Å; G174-S177 WeakPolarHBondContact O-CB 3.25Å; G174-S177 PolarHBondContact O-N 3.44Å; S177-Y180 PolarHBondContact O-N 3.42Å; S177-T181 WeakPolarHBondContact O-CG2 3.26Å; S177-T181 PolarHBondContact O-N 2.62Å; S177-T181 VanDerWaalsContact O-N 3.12Å; S177-T181 PolarHBondContact O-OG1 2.9Å; S177-T181 VanDerWaalsContact O-OG1 3.11Å
178V85.2Confident86Confident3 Ų328.3 Ų28.32%0.01815%0.153CC..Hα-helixtrans-58.4-51.2179.8176.30000111G174 L175 Y176 Y180 T181 D182 D344 S345 L348G174-V178 PolarHBondContact O-N 2.87Å; G174-V178 VanDerWaalsContact O-N 3.15Å; L175-V178 PolarHBondContact O-N 3.48Å; Y176-V178 VanDerWaalsContact C-N 3.34Å; V178-Y180 VanDerWaalsContact C-N 3.26Å; V178-Y180 PolarHBondContact O-N 3.49Å; V178-Y180 VanDerWaalsContact O-N 3.14Å; V178-T181 WeakPolarHBondContact CA-OG1 3.47Å; V178-T181 PolarHBondContact O-N 3.05Å; V178-T181 PolarHBondContact O-OG1 3.15Å; V178-D182 WeakPolarHBondContact O-CB 3.49Å; V178-D182 PolarHBondContact O-N 3.45Å; V178-D182 VanDerWaalsContact O-OD1 3.06Å; V178-D344 HydrophobicContact CG1-CB 4.43Å; V178-D344 WeakPolarHBondContact CG1-OD1 3.33Å; V178-D344 HydrophobicContact CG2-CB 3.86Å; V178-S345 WeakPolarHBondContact CG1-OG 3.13Å; V178-L348 HydrophobicContact CG2-CD2 4.16Å
179A87.5Confident86.2Confident0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-61.6-32.1-174.300000113.8I45 V49 T53 L175 V183I45-A179 HydrophobicContact CD1-CB 3.9Å; V49-A179 HydrophobicContact CG1-CB 4.03Å; T53-A179 HydrophobicContact CG2-CB 4.25Å; L175-A179 VanDerWaalsContact O-CB 3.26Å; L175-A179 WeakPolarHBondContact O-CB 3Å; L175-A179 PolarHBondContact O-N 3.3Å; A179-V183 WeakPolarHBondContact O-CG2 3.37Å
180Y87.4Confident86.9Confident59 Ų5925.5 Ų25.523%0.23114%0.141CC..Hα-helixtrans-83.2-35177.5-85.7-80.7000113.1W24 A25 V49 Y176 S177 V178 D182 V183W24-Y180 HydrophobicContact CZ3-CD1 4.23Å; W24-Y180 HydrophobicContact CZ3-CE1 4.46Å; A25-Y180 HydrophobicContact CB-CD2 3.91Å; A25-Y180 HydrophobicContact CB-CG 4.07Å; V49-Y180 HydrophobicContact CG2-CE1 3.98Å; Y176-Y180 HydrophobicContact CD1-CD2 4.05Å; Y176-Y180 AromaticContact CD1-CE2 3.74Å; Y176-Y180 HydrophobicContact CD1-CE2 3.74Å; Y176-Y180 AromaticContact CE1-CE2 3.93Å; Y176-Y180 HydrophobicContact CE1-CE2 3.93Å; Y176-Y180 WeakPolarHBondContact O-CD2 3.12Å; Y176-Y180 PolarHBondContact O-N 3.29Å; S177-Y180 PolarHBondContact O-N 3.42Å; V178-Y180 VanDerWaalsContact C-N 3.26Å; V178-Y180 PolarHBondContact O-N 3.49Å; V178-Y180 VanDerWaalsContact O-N 3.14Å; Y180-D182 VanDerWaalsContact C-N 3.28Å; Y180-V183 PolarHBondContact O-N 3.1Å
181T88.3Confident87.3Confident1 Ų129.6 Ų29.61%0.00616%0.162CC..Hα-helixtrans-63.3-40.8172.450.60000110.5I18 V21 S177 V178 V183 V184 Q185I18-T181 HydrophobicContact CG2-CG2 3.55Å; I18-T181 WeakPolarHBondContact O-CG2 3.49Å; V21-T181 HydrophobicContact CB-CG2 4.24Å; V21-T181 HydrophobicContact CG1-CG2 4.03Å; S177-T181 WeakPolarHBondContact O-CG2 3.26Å; S177-T181 PolarHBondContact O-N 2.62Å; S177-T181 VanDerWaalsContact O-N 3.12Å; S177-T181 PolarHBondContact O-OG1 2.9Å; S177-T181 VanDerWaalsContact O-OG1 3.11Å; V178-T181 WeakPolarHBondContact CA-OG1 3.47Å; V178-T181 PolarHBondContact O-N 3.05Å; V178-T181 PolarHBondContact O-OG1 3.15Å; T181-V183 VanDerWaalsContact C-N 3.26Å; T181-V183 PolarHBondContact O-N 3.27Å; T181-V184 PolarHBondContact O-N 2.84Å; T181-Q185 WeakPolarHBondContact O-CB 3.39Å; T181-Q185 VanDerWaalsContact O-CG 3.25Å; T181-Q185 WeakPolarHBondContact O-CG 3.24Å; T181-Q185 PolarHBondContact O-N 3.25Å; T181-Q185 PolarHBondContact O-OE1 3.41Å
182D90.3Very high87.6Confident0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-54.7-39.8177.7-72.1-3000112.7T53 A56 T57 V178 Y180 V184 Q185 L186 R249 S341T53-D182 WeakPolarHBondContact CB-OD2 3.28Å; T53-D182 PolarHBondContact OG1-OD2 3.29Å; A56-D182 HydrophobicContact CB-CB 3.74Å; T57-D182 PolarHBondContact OG1-OD2 2.76Å; V178-D182 WeakPolarHBondContact O-CB 3.49Å; V178-D182 PolarHBondContact O-N 3.45Å; V178-D182 VanDerWaalsContact O-OD1 3.06Å; Y180-D182 VanDerWaalsContact C-N 3.28Å; D182-V184 PolarHBondContact O-N 3.49Å; D182-Q185 VanDerWaalsContact N-OE1 3.16Å; D182-Q185 PolarHBondContact O-N 3.11Å; D182-Q185 PolarHBondContact OD1-OE1 3.3Å; D182-L186 WeakPolarHBondContact O-CB 3.5Å; D182-L186 PolarHBondContact O-N 3.26Å; D182-R249 IonicContact OD2-NH2 2.75Å; D182-R249 PolarHBondContact OD2-NH2 2.97Å; D182-S341 WeakPolarHBondContact OD1-CB 3.31Å; D182-S341 PolarHBondContact OD1-OG 3.49Å
183V90.8Very high88.3Confident35 Ų3523.8 Ų23.821%0.21213%0.13CC..Hα-helixtrans-61.3-46.3178.7-175.50000110.9V49 C52 A179 Y180 T181 V187V49-V183 HydrophobicContact CB-CG2 4.47Å; V49-V183 HydrophobicContact CG1-CG2 4.12Å; V49-V183 HydrophobicContact CG2-CG2 4.46Å; C52-V183 HydrophobicContact CB-CB 4.27Å; C52-V183 HydrophobicContact CB-CG1 4.23Å; C52-V183 HydrophobicContact CB-CG2 3.8Å; A179-V183 WeakPolarHBondContact O-CG2 3.37Å; Y180-V183 PolarHBondContact O-N 3.1Å; T181-V183 VanDerWaalsContact C-N 3.26Å; T181-V183 PolarHBondContact O-N 3.27Å; V183-V187 WeakPolarHBondContact O-CG2 3.07Å; V183-V187 PolarHBondContact O-N 3.37Å
184V89.2Confident89.3Confident46 Ų4627.9 Ų27.928%0.27914%0.142SC..Hα-helixtrans-68-44.6179.9-178.90000109.7M17 V21 T181 D182 L186 V187 C188M17-V184 HydrophobicContact CE-CG1 3.68Å; M17-V184 HydrophobicContact SD-CG1 4.46Å; V21-V184 HydrophobicContact CG1-CG2 4.42Å; T181-V184 PolarHBondContact O-N 2.84Å; D182-V184 PolarHBondContact O-N 3.49Å; V184-L186 PolarHBondContact O-N 2.96Å; V184-V187 PolarHBondContact O-N 3.23Å; V184-C188 PolarHBondContact O-N 3.26Å; V184-C188 PolarHBondContact O-SG 2.87Å
185Q89.8Confident89.8Confident1 Ų130.5 Ų30.51%0.00515%0.153CC..Hα-helixtrans-59.2-46.8179.4-68.9165.6-55.300111.2I18 T181 D182 V187 C188 I189 A337I18-Q185 HydrophobicContact CD1-CG 4.11Å; I18-Q185 HydrophobicContact CG1-CG 4.33Å; T181-Q185 WeakPolarHBondContact O-CB 3.39Å; T181-Q185 VanDerWaalsContact O-CG 3.25Å; T181-Q185 WeakPolarHBondContact O-CG 3.24Å; T181-Q185 PolarHBondContact O-N 3.25Å; T181-Q185 PolarHBondContact O-OE1 3.41Å; D182-Q185 VanDerWaalsContact N-OE1 3.16Å; D182-Q185 PolarHBondContact O-N 3.11Å; D182-Q185 PolarHBondContact OD1-OE1 3.3Å; Q185-V187 VanDerWaalsContact C-N 3.34Å; Q185-V187 PolarHBondContact O-N 2.81Å; Q185-C188 PolarHBondContact O-N 3.35Å; Q185-I189 WeakPolarHBondContact O-CD1 3.15Å; Q185-I189 WeakPolarHBondContact O-CG1 3.16Å; Q185-I189 PolarHBondContact O-N 3.08Å; Q185-A337 HydrophobicContact CB-CB 4.39Å; Q185-A337 VanDerWaalsContact CD-O 3.31Å; Q185-A337 HydrophobicContact CG-CB 3.98Å; Q185-A337 PolarHBondContact NE2-O 3.21Å
186L92.8Very high90.4Very high21 Ų2130.5 Ų30.511%0.1115%0.153CC..Hα-helixtrans-56.8-45.1179-171.868.4000112.9C52 T55 A56 D182 V184 I189 F190 M273C52-L186 HydrophobicContact CB-CD2 4.15Å; T55-L186 HydrophobicContact CG2-CD1 3.86Å; T55-L186 HydrophobicContact CG2-CD2 4.21Å; A56-L186 HydrophobicContact CB-CB 4.07Å; A56-L186 HydrophobicContact CB-CD1 4.22Å; D182-L186 WeakPolarHBondContact O-CB 3.5Å; D182-L186 PolarHBondContact O-N 3.26Å; V184-L186 PolarHBondContact O-N 2.96Å; L186-I189 PolarHBondContact O-N 2.86Å; L186-F190 PolarHBondContact O-N 2.99Å; L186-F190 VanDerWaalsContact O-N 3.08Å; L186-M273 HydrophobicContact CD1-CE 3.72Å; L186-M273 HydrophobicContact CD1-CG 4.18Å; L186-M273 HydrophobicContact CD1-SD 4.04Å
187V91.4Very high91.1Very high80 Ų8030 Ų3049%0.48515%0.152SC..Hα-helixtrans-65.5-45178.5174.20000110.7V183 V184 Q185 I189 F190 I191V183-V187 WeakPolarHBondContact O-CG2 3.07Å; V183-V187 PolarHBondContact O-N 3.37Å; V184-V187 PolarHBondContact O-N 3.23Å; Q185-V187 VanDerWaalsContact C-N 3.34Å; Q185-V187 PolarHBondContact O-N 2.81Å; V187-I189 VanDerWaalsContact C-N 3.31Å; V187-I189 PolarHBondContact O-N 3.46Å; V187-F190 PolarHBondContact O-N 3.4Å; V187-I191 HydrophobicContact CG1-CD1 3.83Å; V187-I191 WeakPolarHBondContact O-CG1 3.08Å; V187-I191 PolarHBondContact O-N 3.48Å; V187-I191 VanDerWaalsContact O-N 3.09Å
188C89.8Confident91.7Very high29 Ų2933 Ų3320%0.19617%0.171CC..Hα-helixtrans-59.4-41.9177.6-69.90000111.8F14 V184 Q185 G192 A334F14-C188 HydrophobicContact CE1-CB 4.46Å; V184-C188 PolarHBondContact O-N 3.26Å; V184-C188 PolarHBondContact O-SG 2.87Å; Q185-C188 PolarHBondContact O-N 3.35Å; C188-G192 WeakPolarHBondContact O-CA 3.48Å; C188-G192 PolarHBondContact O-N 3.34Å; C188-A334 HydrophobicContact CB-CB 4.31Å; C188-A334 VanDerWaalsContact O-CB 3.22Å; C188-A334 WeakPolarHBondContact O-CB 3.42Å
189I90.9Very high92.3Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-64.1-49.6179.1-64.9154.9000111.3I64 Q185 L186 V187 I191 G192 L193 M273 A334 A338I64-I189 HydrophobicContact CD1-CG2 3.62Å; Q185-I189 WeakPolarHBondContact O-CD1 3.15Å; Q185-I189 WeakPolarHBondContact O-CG1 3.16Å; Q185-I189 PolarHBondContact O-N 3.08Å; L186-I189 PolarHBondContact O-N 2.86Å; V187-I189 VanDerWaalsContact C-N 3.31Å; V187-I189 PolarHBondContact O-N 3.46Å; I189-I191 VanDerWaalsContact C-N 3.33Å; I189-I191 PolarHBondContact O-N 3.04Å; I189-G192 PolarHBondContact O-N 2.8Å; I189-L193 HydrophobicContact CG2-CD1 3.88Å; I189-L193 HydrophobicContact CG2-CG 4.34Å; I189-L193 WeakPolarHBondContact O-CB 3.49Å; I189-L193 WeakPolarHBondContact O-CG 3.28Å; I189-L193 PolarHBondContact O-N 2.86Å; I189-M273 HydrophobicContact CB-CE 3.98Å; I189-M273 HydrophobicContact CG2-CE 3.6Å; I189-A334 VanDerWaalsContact CG1-O 3.26Å; I189-A334 WeakPolarHBondContact CG1-O 3.44Å; I189-A338 HydrophobicContact CD1-CB 3.11Å; I189-A338 HydrophobicContact CG1-CB 3.53Å
190F92Very high92.7Very high86 Ų8634.8 Ų34.838%0.37718%0.184SC..Hα-helixtrans-56.9-52.5-179.1-175.6-99.7000109.9L186 V187 W194 I272 M273L186-F190 PolarHBondContact O-N 2.99Å; L186-F190 VanDerWaalsContact O-N 3.08Å; V187-F190 PolarHBondContact O-N 3.4Å; F190-W194 AromaticContact CD2-CD1 3.83Å; F190-W194 AromaticContact CD2-NE1 3.83Å; F190-W194 AromaticContact CE1-CD1 3.98Å; F190-W194 AromaticContact CE2-CD1 3.66Å; F190-W194 AromaticContact CE2-NE1 3.32Å; F190-W194 VanDerWaalsContact CE2-NE1 3.32Å; F190-W194 AromaticContact CZ-CD1 3.74Å; F190-W194 AromaticContact CZ-NE1 3.59Å; F190-W194 WeakPolarHBondContact O-CB 3.08Å; F190-W194 PolarHBondContact O-N 2.78Å; F190-I272 HydrophobicContact CE2-CG2 4.03Å; F190-M273 HydrophobicContact CB-CE 3.98Å; F190-M273 HydrophobicContact CB-SD 3.91Å; F190-M273 HydrophobicContact CD2-CE 4.48Å; F190-M273 HydrophobicContact CD2-SD 3.55Å; F190-M273 VanDerWaalsContact CD2-SD 3.55Å; F190-M273 HydrophobicContact CG-SD 4.17Å
191I93Very high93.2Very high87 Ų8735.5 Ų35.545%0.44619%0.19SC..Hα-helixtrans-66.1-46.9-179.7-63.9172.8000110.9V187 I189 L193 W194 L195V187-I191 HydrophobicContact CG1-CD1 3.83Å; V187-I191 WeakPolarHBondContact O-CG1 3.08Å; V187-I191 PolarHBondContact O-N 3.48Å; V187-I191 VanDerWaalsContact O-N 3.09Å; I189-I191 VanDerWaalsContact C-N 3.33Å; I189-I191 PolarHBondContact O-N 3.04Å; I191-L193 PolarHBondContact O-N 3.36Å; I191-W194 PolarHBondContact O-N 3.33Å; I191-L195 HydrophobicContact CG2-CD1 3.6Å; I191-L195 HydrophobicContact CG2-CG 4.11Å; I191-L195 WeakPolarHBondContact O-CB 3.17Å; I191-L195 WeakPolarHBondContact O-CG 3.33Å; I191-L195 PolarHBondContact O-N 2.95Å
192G92.4Very high93.6Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-64.2-41.4-172.800000113.6C188 I189 C196C188-G192 WeakPolarHBondContact O-CA 3.48Å; C188-G192 PolarHBondContact O-N 3.34Å; I189-G192 PolarHBondContact O-N 2.8Å; G192-C196 PolarHBondContact O-SG 2.96Å
193L94.9Very high93.9Very high1 Ų144.8 Ų44.81%0.00524%0.239CC..Hα-helixtrans-71.6-44.7176.4-65.4-178.8000111.7I64 I189 I191 L195 C196 I197 P276 I280 L319 V335I64-L193 HydrophobicContact CD1-CD1 4.39Å; I64-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 HydrophobicContact CG2-CD1 3.88Å; I189-L193 HydrophobicContact CG2-CG 4.34Å; I189-L193 WeakPolarHBondContact O-CB 3.49Å; I189-L193 WeakPolarHBondContact O-CG 3.28Å; I189-L193 PolarHBondContact O-N 2.86Å; I191-L193 PolarHBondContact O-N 3.36Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 2.92Å; L193-C196 PolarHBondContact O-N 2.87Å; L193-C196 VanDerWaalsContact O-N 3.1Å; L193-I197 PolarHBondContact O-N 3.35Å; L193-P276 HydrophobicContact CB-CB 3.58Å; L193-P276 HydrophobicContact CB-CG 4.31Å; L193-P276 HydrophobicContact CD1-CB 4.08Å; L193-P276 HydrophobicContact CG-CB 4.48Å; L193-I280 HydrophobicContact CD2-CD1 3.92Å; L193-L319 HydrophobicContact CD2-CD1 4.31Å; L193-L319 HydrophobicContact CD2-CD2 4.5Å; L193-V335 HydrophobicContact CD2-CG2 3.61Å
194W96.2Very high94.1Very high98 Ų9851.8 Ų51.837%0.37127%0.269SS..Hα-helixtrans-61.9-35179-85.3113.7000113F190 I191 C196 I197 P198 V275 P276 I279F190-W194 AromaticContact CD2-CD1 3.83Å; F190-W194 AromaticContact CD2-NE1 3.83Å; F190-W194 AromaticContact CE1-CD1 3.98Å; F190-W194 AromaticContact CE2-CD1 3.66Å; F190-W194 AromaticContact CE2-NE1 3.32Å; F190-W194 VanDerWaalsContact CE2-NE1 3.32Å; F190-W194 AromaticContact CZ-CD1 3.74Å; F190-W194 AromaticContact CZ-NE1 3.59Å; F190-W194 WeakPolarHBondContact O-CB 3.08Å; F190-W194 PolarHBondContact O-N 2.78Å; I191-W194 PolarHBondContact O-N 3.33Å; W194-C196 PolarHBondContact O-N 3.34Å; W194-I197 HydrophobicContact CD2-CD1 4.18Å; W194-I197 HydrophobicContact CE3-CD1 3.67Å; W194-I197 HydrophobicContact CZ3-CD1 3.9Å; W194-I197 PolarHBondContact O-N 3.36Å; W194-P198 VanDerWaalsContact O-CD 3.23Å; W194-P198 WeakPolarHBondContact O-CD 3.3Å; W194-V275 HydrophobicContact CH2-CG1 4.1Å; W194-V275 HydrophobicContact CZ2-CG1 4.07Å; W194-P276 HydrophobicContact CD2-CG 4.14Å; W194-P276 HydrophobicContact CG-CG 4.21Å; W194-P276 HydrophobicContact CZ2-CG 4.13Å; W194-I279 HydrophobicContact CH2-CD1 4.24Å; W194-I279 HydrophobicContact CZ3-CD1 4.37Å
195L94.6Very high94.5Very high66 Ų6649.8 Ų49.835%0.34626%0.258SS..Hα-helixtrans-63.9-27.8176.2-76.2173.2000113.3I191 L193 I330I191-L195 HydrophobicContact CG2-CD1 3.6Å; I191-L195 HydrophobicContact CG2-CG 4.11Å; I191-L195 WeakPolarHBondContact O-CB 3.17Å; I191-L195 WeakPolarHBondContact O-CG 3.33Å; I191-L195 PolarHBondContact O-N 2.95Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 2.92Å; L195-I330 HydrophobicContact CD1-CD1 4.04Å; L195-I330 HydrophobicContact CD1-CG2 4.19Å
196C95.6Very high94.8Very high0 Ų050.5 Ų50.50%026%0.262CS..Hα-helixtrans-85.8-19.2-177.8-61.50000113.3G192 L193 W194 A200 L319 N323 A327G192-C196 PolarHBondContact O-SG 2.96Å; L193-C196 PolarHBondContact O-N 2.87Å; L193-C196 VanDerWaalsContact O-N 3.1Å; W194-C196 PolarHBondContact O-N 3.34Å; C196-A200 VanDerWaalsContact O-CB 3.23Å; C196-A200 WeakPolarHBondContact O-CB 3.5Å; C196-A200 PolarHBondContact O-N 3.02Å; C196-A200 VanDerWaalsContact O-N 3.07Å; C196-L319 HydrophobicContact CB-CD2 3.49Å; C196-L319 VanDerWaalsContact CB-CD2 3.49Å; C196-N323 VanDerWaalsContact CA-OD1 3.25Å; C196-N323 WeakPolarHBondContact CA-OD1 3.48Å; C196-N323 PolarHBondContact O-OD1 2.76Å; C196-A327 PolarHBondContact SG-O 3.33Å; C196-A327 VanDerWaalsContact SG-O 3.33Å
197I97.3Very high95Very high9 Ų954.1 Ų54.15%0.04628%0.279CS..Hα-helixtrans-65-50.3-174.7-69.6171.5000112.7L193 W194 S199 A200 M201 P276 I279 I280L193-I197 PolarHBondContact O-N 3.35Å; W194-I197 HydrophobicContact CD2-CD1 4.18Å; W194-I197 HydrophobicContact CE3-CD1 3.67Å; W194-I197 HydrophobicContact CZ3-CD1 3.9Å; W194-I197 PolarHBondContact O-N 3.36Å; I197-S199 VanDerWaalsContact C-N 3.35Å; I197-S199 PolarHBondContact O-N 3.18Å; I197-A200 PolarHBondContact O-N 3.43Å; I197-M201 HydrophobicContact CG2-CG 4.14Å; I197-M201 HydrophobicContact CG2-SD 3.63Å; I197-M201 WeakPolarHBondContact O-CB 3.42Å; I197-M201 WeakPolarHBondContact O-CG 3.44Å; I197-M201 PolarHBondContact O-N 3.49Å; I197-P276 HydrophobicContact CD1-CB 3.88Å; I197-I279 HydrophobicContact CD1-CB 4.24Å; I197-I279 HydrophobicContact CD1-CD1 4.02Å; I197-I279 HydrophobicContact CD1-CG2 4.34Å; I197-I279 HydrophobicContact CG1-CG2 4.33Å; I197-I279 HydrophobicContact CG2-CG2 3.73Å; I197-I280 HydrophobicContact CG1-CG1 4.42Å
198P96.9Very high95.2Very high72 Ų7255 Ų5547%0.46828%0.281SS..Hα-helixtrans-59.9-44.6-176-25.134.8000112.5W194 L202W194-P198 VanDerWaalsContact O-CD 3.23Å; W194-P198 WeakPolarHBondContact O-CD 3.3Å; P198-L202 WeakPolarHBondContact O-CB 3.48Å; P198-L202 WeakPolarHBondContact O-CG 3.37Å; P198-L202 PolarHBondContact O-N 3.42Å; P198-L202 VanDerWaalsContact O-N 3.09Å
199S96.2Very high95.4Very high39 Ų3954.4 Ų54.427%0.27328%0.276SS..Hα-helixtrans-67.5-40.4178.9-67.50000112.2I197 M201 L202 N203 L322 N323I197-S199 VanDerWaalsContact C-N 3.35Å; I197-S199 PolarHBondContact O-N 3.18Å; S199-M201 PolarHBondContact O-N 3.31Å; S199-L202 PolarHBondContact O-N 2.99Å; S199-N203 PolarHBondContact O-N 3.37Å; S199-N203 VanDerWaalsContact O-N 3.11Å; S199-L322 CarbonylContact C-O 3.39Å; S199-N323 WeakPolarHBondContact CB-OD1 2.92Å
200A97.5Very high95.6Very high1 Ų159.7 Ų59.71%0.00831%0.308CS..Hα-helixtrans-65.3-38.5177.800000113C196 I197 T206 V283 V318 L322C196-A200 VanDerWaalsContact O-CB 3.23Å; C196-A200 WeakPolarHBondContact O-CB 3.5Å; C196-A200 PolarHBondContact O-N 3.02Å; C196-A200 VanDerWaalsContact O-N 3.07Å; I197-A200 PolarHBondContact O-N 3.43Å; A200-T206 WeakPolarHBondContact O-CB 3.46Å; A200-T206 PolarHBondContact O-OG1 2.78Å; A200-V283 HydrophobicContact CB-CG1 4.01Å; A200-V318 HydrophobicContact CB-CG1 3.87Å; A200-L322 HydrophobicContact CB-CB 4.12Å
201M97.5Very high95.8Very high74 Ų7459.4 Ų59.437%0.36532%0.317SS..Hα-helixtrans-72.5-30.7177.9-72.4-175.666.300113.5I197 S199 V209 I279 V283I197-M201 HydrophobicContact CG2-CG 4.14Å; I197-M201 HydrophobicContact CG2-SD 3.63Å; I197-M201 WeakPolarHBondContact O-CB 3.42Å; I197-M201 WeakPolarHBondContact O-CG 3.44Å; I197-M201 PolarHBondContact O-N 3.49Å; S199-M201 PolarHBondContact O-N 3.31Å; M201-V209 HydrophobicContact CE-CG2 3.61Å; M201-I279 HydrophobicContact SD-CG2 4.06Å; M201-V283 HydrophobicContact CG-CG2 3.65Å
202L96.5Very high95.9Very high148 Ų14855.3 Ų55.378%0.77530%0.296SS*.THydrogen-bonded Turntrans-93.10.7-179.1-65173.5000113.1P198 S199P198-L202 WeakPolarHBondContact O-CB 3.48Å; P198-L202 WeakPolarHBondContact O-CG 3.37Å; P198-L202 PolarHBondContact O-N 3.42Å; P198-L202 VanDerWaalsContact O-N 3.09Å; S199-L202 PolarHBondContact O-N 2.99Å
203N96.6Very high96.1Very high48 Ų4860.8 Ų60.826%0.25732%0.32SS..SBendtrans-65.3138.9178.7-166.2-73000110.6S199 A205 T206 L322S199-N203 PolarHBondContact O-N 3.37Å; S199-N203 VanDerWaalsContact O-N 3.11Å; N203-A205 PolarHBondContact O-N 3.22Å; N203-A205 VanDerWaalsContact O-N 3.15Å; N203-A205 WeakPolarHBondContact OD1-CB 3.29Å; N203-A205 PolarHBondContact OD1-N 2.89Å; N203-T206 WeakPolarHBondContact O-CB 2.92Å; N203-T206 PolarHBondContact O-N 2.93Å; N203-L322 HydrophobicContact CB-CB 4.34Å; N203-L322 HydrophobicContact CB-CD2 4.39Å; N203-L322 WeakPolarHBondContact ND2-CA 3.37Å; N203-L322 PolarHBondContact ND2-O 2.96Å
204E95.8Very high96.1Very high181 Ų18166.8 Ų66.885%0.84635%0.352SS*.THydrogen-bonded Turntrans-60.4-25.7-179-63.5-178.4176.300113.5T206 M291E204-T206 VanDerWaalsContact C-N 3.29Å; E204-M291 WeakPolarHBondContact O-CE 3.42Å
205A96.4Very high96Very high5 Ų566.2 Ų66.24%0.04135%0.354CS..THydrogen-bonded Turntrans-76.6-15.417500000113.4N203 T287 N288 M291 T292 L322N203-A205 PolarHBondContact O-N 3.22Å; N203-A205 VanDerWaalsContact O-N 3.15Å; N203-A205 WeakPolarHBondContact OD1-CB 3.29Å; N203-A205 PolarHBondContact OD1-N 2.89Å; A205-T287 HydrophobicContact CB-CG2 4.07Å; A205-T287 WeakPolarHBondContact O-CA 3.33Å; A205-N288 PolarHBondContact O-N 2.98Å; A205-M291 HydrophobicContact CB-CB 3.74Å; A205-T292 HydrophobicContact CB-CG2 4Å; A205-L322 HydrophobicContact CB-CD2 4.27Å
206T97.1Very high96.1Very high15 Ų1564.7 Ų64.79%0.09234%0.343CS..BIsolated β-bridgetrans-99.5117.7-174.4-57.70000110.5A200 N203 E204 V283 T287A200-T206 WeakPolarHBondContact O-CB 3.46Å; A200-T206 PolarHBondContact O-OG1 2.78Å; N203-T206 WeakPolarHBondContact O-CB 2.92Å; N203-T206 PolarHBondContact O-N 2.93Å; E204-T206 VanDerWaalsContact C-N 3.29Å; T206-V283 HydrophobicContact CG2-CG1 3.87Å; T206-T287 PolarHBondContact OG1-OG1 2.76Å; T206-T287 VanDerWaalsContact OG1-OG1 3.09Å
207Q95.5Very high96.1Very high97 Ų9765.2 Ų65.245%0.45335%0.347SS..PPolyproline II helixtrans-70.4159.6170.5-60.5-17840.800110.6V209 T212 S286Q207-V209 PolarHBondContact O-N 3.22Å; Q207-V209 VanDerWaalsContact O-N 3.08Å; Q207-T212 HydrophobicContact CB-CG2 3.94Å; Q207-S286 WeakPolarHBondContact CB-O 3.18Å; Q207-S286 PolarHBondContact N-O 3Å
208N95.8Very high95.9Very high99 Ų9966 Ų6653%0.52936%0.357SS..PPolyproline II helixtrans-58.3121.2176.5-173-41000110V210 S211 T212N208-V210 PolarHBondContact O-N 3.04Å; N208-V210 VanDerWaalsContact OD1-CB 3.27Å; N208-V210 WeakPolarHBondContact OD1-CB 3.3Å; N208-V210 PolarHBondContact OD1-N 2.8Å; N208-S211 PolarHBondContact O-N 3.23Å; N208-S211 PolarHBondContact O-OG 2.94Å; N208-T212 PolarHBondContact O-N 3.44Å; N208-T212 PolarHBondContact O-OG1 3.29Å
209V95.2Very high95.8Very high16 Ų1666.9 Ų66.910%0.09736%0.362CS..THydrogen-bonded Turntrans-60.8-28.5-177.2-620000112.3M201 Q207 T212 F213 W216 V283M201-V209 HydrophobicContact CE-CG2 3.61Å; Q207-V209 PolarHBondContact O-N 3.22Å; Q207-V209 VanDerWaalsContact O-N 3.08Å; V209-T212 WeakPolarHBondContact CA-OG1 3.37Å; V209-T212 PolarHBondContact O-N 3.45Å; V209-T212 PolarHBondContact O-OG1 3.22Å; V209-F213 PolarHBondContact O-N 2.92Å; V209-W216 WeakPolarHBondContact O-CZ2 3.3Å; V209-W216 PolarHBondContact O-NE1 3.41Å; V209-V283 HydrophobicContact CG1-CG2 3.77Å
210V95Very high95.7Very high112 Ų11266.2 Ų66.268%0.67936%0.355SS*.THydrogen-bonded Turntrans-71.2-39.1177.1-176.30000111N208 T212 F213N208-V210 PolarHBondContact O-N 3.04Å; N208-V210 VanDerWaalsContact OD1-CB 3.27Å; N208-V210 WeakPolarHBondContact OD1-CB 3.3Å; N208-V210 PolarHBondContact OD1-N 2.8Å; V210-T212 PolarHBondContact O-N 3.44Å; V210-F213 WeakPolarHBondContact O-CB 3.5Å; V210-F213 PolarHBondContact O-N 3.34Å
211S95.2Very high95.4Very high80 Ų8073.3 Ų73.356%0.55939%0.388SS*.THydrogen-bonded Turntrans-75.6-14.9179.362.80000113.4N208N208-S211 PolarHBondContact O-N 3.23Å; N208-S211 PolarHBondContact O-OG 2.94Å
212T95.2Very high95.2Very high1 Ų172 Ų721%0.00639%0.394CS..THydrogen-bonded Turntrans-107.216178.749.70000112Q207 N208 V209 V210 D214 Q215 W216 S286Q207-T212 HydrophobicContact CB-CG2 3.94Å; N208-T212 PolarHBondContact O-N 3.44Å; N208-T212 PolarHBondContact O-OG1 3.29Å; V209-T212 WeakPolarHBondContact CA-OG1 3.37Å; V209-T212 PolarHBondContact O-N 3.45Å; V209-T212 PolarHBondContact O-OG1 3.22Å; V210-T212 PolarHBondContact O-N 3.44Å; T212-D214 VanDerWaalsContact C-OD1 3.31Å; T212-D214 PolarHBondContact O-N 3.31Å; T212-Q215 VanDerWaalsContact O-CB 3.3Å; T212-Q215 WeakPolarHBondContact O-CB 3.39Å; T212-Q215 PolarHBondContact O-N 3.01Å; T212-W216 PolarHBondContact O-NE1 2.95Å; T212-S286 WeakPolarHBondContact OG1-CB 3.49Å; T212-S286 PolarHBondContact OG1-OG 3.4Å
213F96.5Very high95.1Very high115 Ų11569.9 Ų69.950%0.50439%0.386SS..Hα-helixtrans-53.6-38.4-178.1178.4-100.8000112.9V209 V210 Q215 W216 A217V209-F213 PolarHBondContact O-N 2.92Å; V210-F213 WeakPolarHBondContact O-CB 3.5Å; V210-F213 PolarHBondContact O-N 3.34Å; F213-Q215 PolarHBondContact O-N 3.46Å; F213-W216 HydrophobicContact CB-CZ2 4.29Å; F213-W216 HydrophobicContact CD2-CE3 4.43Å; F213-W216 AromaticContact CD2-CH2 3.39Å; F213-W216 HydrophobicContact CD2-CH2 3.39Å; F213-W216 AromaticContact CD2-CZ2 3.59Å; F213-W216 HydrophobicContact CD2-CZ2 3.59Å; F213-W216 AromaticContact CD2-CZ3 3.83Å; F213-W216 HydrophobicContact CD2-CZ3 3.83Å; F213-W216 AromaticContact CE2-CH2 3.79Å; F213-W216 HydrophobicContact CE2-CH2 3.79Å; F213-W216 HydrophobicContact CE2-CZ2 4.44Å; F213-W216 AromaticContact CE2-CZ3 3.91Å; F213-W216 HydrophobicContact CE2-CZ3 3.91Å; F213-W216 HydrophobicContact CG-CZ2 4.42Å; F213-W216 PolarHBondContact O-N 3.28Å; F213-A217 HydrophobicContact CD1-CB 4.03Å; F213-A217 HydrophobicContact CD2-CB 4.22Å; F213-A217 HydrophobicContact CE1-CB 3.65Å; F213-A217 HydrophobicContact CE2-CB 3.85Å; F213-A217 HydrophobicContact CG-CB 4.3Å; F213-A217 HydrophobicContact CZ-CB 3.55Å; F213-A217 WeakPolarHBondContact O-CB 3.49Å; F213-A217 PolarHBondContact O-N 3.05Å
214D95.2Very high94.9Very high126 Ų12669.7 Ų69.767%0.67439%0.388SS*.Hα-helixtrans-59.6-25.9175.560.9-44.7000113.6T212T212-D214 VanDerWaalsContact C-OD1 3.31Å; T212-D214 PolarHBondContact O-N 3.31Å
215Q94.1Very high94.9Very high87 Ų8762.1 Ų62.141%0.40736%0.356SS..Hα-helixtrans-84.9-27.6-177.7-54.7177.26.800113.5T212 F213 K285T212-Q215 VanDerWaalsContact O-CB 3.3Å; T212-Q215 WeakPolarHBondContact O-CB 3.39Å; T212-Q215 PolarHBondContact O-N 3.01Å; F213-Q215 PolarHBondContact O-N 3.46Å; Q215-K285 HydrophobicContact CB-CG 4.3Å; Q215-K285 WeakPolarHBondContact O-CE 3.29Å
216W96.2Very high94.9Very high34 Ų3467.7 Ų67.713%0.12938%0.376CS..Hα-helixtrans-121.2-5.8-175.459.3-102.6000114.2I71 G75 L76 V209 T212 F213 A282 K285I71-W216 HydrophobicContact CG2-CB 4.21Å; G75-W216 CarbonylContact C-O 3.5Å; G75-W216 WeakPolarHBondContact CA-O 3.3Å; L76-W216 HydrophobicContact CB-CE3 4.32Å; L76-W216 HydrophobicContact CB-CZ3 4.49Å; L76-W216 HydrophobicContact CD2-CZ3 4.01Å; L76-W216 PolarHBondContact N-O 3.22Å; V209-W216 WeakPolarHBondContact O-CZ2 3.3Å; V209-W216 PolarHBondContact O-NE1 3.41Å; T212-W216 PolarHBondContact O-NE1 2.95Å; F213-W216 HydrophobicContact CB-CZ2 4.29Å; F213-W216 HydrophobicContact CD2-CE3 4.43Å; F213-W216 AromaticContact CD2-CH2 3.39Å; F213-W216 HydrophobicContact CD2-CH2 3.39Å; F213-W216 AromaticContact CD2-CZ2 3.59Å; F213-W216 HydrophobicContact CD2-CZ2 3.59Å; F213-W216 AromaticContact CD2-CZ3 3.83Å; F213-W216 HydrophobicContact CD2-CZ3 3.83Å; F213-W216 AromaticContact CE2-CH2 3.79Å; F213-W216 HydrophobicContact CE2-CH2 3.79Å; F213-W216 HydrophobicContact CE2-CZ2 4.44Å; F213-W216 AromaticContact CE2-CZ3 3.91Å; F213-W216 HydrophobicContact CE2-CZ3 3.91Å; F213-W216 HydrophobicContact CG-CZ2 4.42Å; F213-W216 PolarHBondContact O-N 3.28Å; W216-A282 HydrophobicContact CD2-CB 3.62Å; W216-A282 HydrophobicContact CE3-CB 3.97Å; W216-A282 HydrophobicContact CG-CB 3.87Å; W216-A282 HydrophobicContact CZ2-CB 4.28Å; W216-A282 HydrophobicContact CZ3-CB 4.45Å; W216-K285 HydrophobicContact CB-CB 3.97Å; W216-K285 HydrophobicContact CB-CG 3.9Å
217A96.1Very high94.8Very high10 Ų1067.8 Ų67.88%0.08338%0.378CS..SBendtrans-69.3-46.3174.300000111.8L76 V77 F213L76-A217 PolarHBondContact N-O 3.41Å; V77-A217 VanDerWaalsContact CG2-O 3.3Å; V77-A217 WeakPolarHBondContact CG2-O 3.46Å; V77-A217 PolarHBondContact N-O 3.44Å; F213-A217 HydrophobicContact CD1-CB 4.03Å; F213-A217 HydrophobicContact CD2-CB 4.22Å; F213-A217 HydrophobicContact CE1-CB 3.65Å; F213-A217 HydrophobicContact CE2-CB 3.85Å; F213-A217 HydrophobicContact CG-CB 4.3Å; F213-A217 HydrophobicContact CZ-CB 3.55Å; F213-A217 WeakPolarHBondContact O-CB 3.49Å; F213-A217 PolarHBondContact O-N 3.05Å
218G93.6Very high94.8Very high25 Ų2565.5 Ų65.526%0.25837%0.368SS..  trans74.2164.5-170.700000113.1
219T94.3Very high94.8Very high92 Ų9263.6 Ų63.656%0.56435%0.354SS*.  trans-136.3148.4179.853.80000110.6E221T219-E221 PolarHBondContact OG1-OE1 3.05Å
220I94.4Very high95Very high25 Ų2566.8 Ų66.813%0.12837%0.369CS..  trans-109.3108.1170.1-59.3162.4000107.7V77 A225 W226 W229V77-I220 HydrophobicContact CG1-CD1 3.29Å; V77-I220 HydrophobicContact CG1-CG1 3.45Å; V77-I220 VanDerWaalsContact CG1-CG1 3.45Å; I220-A225 HydrophobicContact CG2-CB 3.64Å; I220-W226 HydrophobicContact CB-CD2 4.23Å; I220-W226 HydrophobicContact CB-CZ2 4.13Å; I220-W226 HydrophobicContact CD1-CD2 4.21Å; I220-W226 HydrophobicContact CD1-CE3 3.97Å; I220-W226 HydrophobicContact CD1-CH2 3.67Å; I220-W226 HydrophobicContact CD1-CZ2 3.9Å; I220-W226 HydrophobicContact CD1-CZ3 3.69Å; I220-W226 HydrophobicContact CG2-CB 4.19Å; I220-W226 HydrophobicContact CG2-CD2 3.66Å; I220-W226 HydrophobicContact CG2-CE3 4.32Å; I220-W226 HydrophobicContact CG2-CG 3.57Å; I220-W226 HydrophobicContact CG2-CZ2 4.48Å; I220-W226 PolarHBondContact O-NE1 3.26Å; I220-W229 HydrophobicContact CD1-CB 4.09Å; I220-W229 HydrophobicContact CD1-CD2 3.98Å; I220-W229 HydrophobicContact CD1-CG 3.54Å; I220-W229 HydrophobicContact CG1-CG 4.43Å
221E90.4Very high95.1Very high150 Ų15061.5 Ų61.570%0.70134%0.337SS*.  trans-100114.5-171.3-64-172.8-178.800112.4T219 A225T219-E221 PolarHBondContact OG1-OE1 3.05Å; E221-A225 WeakPolarHBondContact O-CB 3.26Å
222G93.7Very high95.1Very high47 Ų4758.2 Ų58.249%0.48531%0.314SS..Hα-helixtrans77.9171173.400000114.9A225 W226G222-A225 PolarHBondContact O-N 2.95Å; G222-W226 VanDerWaalsContact O-CD1 3.29Å; G222-W226 PolarHBondContact O-N 3.48Å
223V94.1Very high95.3Very high103 Ų10360.9 Ų60.962%0.62433%0.326SS*.Hα-helixtrans-60.6-43.1-176179.70000113A225 W226 S227 W459V223-A225 PolarHBondContact O-N 3.32Å; V223-W226 PolarHBondContact O-N 2.95Å; V223-S227 PolarHBondContact O-N 3.28Å; V223-S227 PolarHBondContact O-OG 3.41Å; V223-W459 HydrophobicContact CG1-CH2 4.12Å
224P94.2Very high95.4Very high43 Ų4357.7 Ų57.728%0.27931%0.313SS..Hα-helixtrans-62.5-40.4179.8-24.235.9000113.5S227 L228 W459 Y468P224-S227 WeakPolarHBondContact CA-OG 3.31Å; P224-S227 PolarHBondContact O-N 3.47Å; P224-S227 PolarHBondContact O-OG 2.87Å; P224-L228 PolarHBondContact O-N 3.24Å; P224-W459 HydrophobicContact CB-CB 4.26Å; P224-W459 HydrophobicContact CB-CD2 4.37Å; P224-W459 HydrophobicContact CB-CE3 4.36Å; P224-W459 HydrophobicContact CB-CG 4.35Å; P224-W459 HydrophobicContact CG-CD2 4.25Å; P224-W459 HydrophobicContact CG-CG 4.22Å; P224-Y468 HydrophobicContact CB-CD1 4.04Å; P224-Y468 HydrophobicContact CB-CD2 4.33Å; P224-Y468 HydrophobicContact CB-CG 3.75Å; P224-Y468 WeakPolarHBondContact O-CB 3.11Å; P224-Y468 VanDerWaalsContact O-CD1 3.3Å; P224-Y468 WeakPolarHBondContact O-CD1 3.27Å
225A94.1Very high95.5Very high23 Ų2351.7 Ų51.719%0.1928%0.281CS..Hα-helixtrans-66.9-40.6177.500000111.5I220 E221 G222 V223 S227 L228 W229 Y468I220-A225 HydrophobicContact CG2-CB 3.64Å; E221-A225 WeakPolarHBondContact O-CB 3.26Å; G222-A225 PolarHBondContact O-N 2.95Å; V223-A225 PolarHBondContact O-N 3.32Å; A225-S227 VanDerWaalsContact C-N 3.32Å; A225-S227 PolarHBondContact O-N 2.98Å; A225-L228 PolarHBondContact O-N 3.07Å; A225-W229 WeakPolarHBondContact O-CB 3.31Å; A225-W229 PolarHBondContact O-N 3.42Å; A225-Y468 HydrophobicContact CB-CE1 4.43Å
226W96.5Very high95.6Very high122 Ų12247.5 Ų47.546%0.46226%0.262SS..Hα-helixtrans-62.1-37.7174-86.4105.7000112.7I220 G222 V223 W229 I230I220-W226 HydrophobicContact CB-CD2 4.23Å; I220-W226 HydrophobicContact CB-CZ2 4.13Å; I220-W226 HydrophobicContact CD1-CD2 4.21Å; I220-W226 HydrophobicContact CD1-CE3 3.97Å; I220-W226 HydrophobicContact CD1-CH2 3.67Å; I220-W226 HydrophobicContact CD1-CZ2 3.9Å; I220-W226 HydrophobicContact CD1-CZ3 3.69Å; I220-W226 HydrophobicContact CG2-CB 4.19Å; I220-W226 HydrophobicContact CG2-CD2 3.66Å; I220-W226 HydrophobicContact CG2-CE3 4.32Å; I220-W226 HydrophobicContact CG2-CG 3.57Å; I220-W226 HydrophobicContact CG2-CZ2 4.48Å; I220-W226 PolarHBondContact O-NE1 3.26Å; G222-W226 VanDerWaalsContact O-CD1 3.29Å; G222-W226 PolarHBondContact O-N 3.48Å; V223-W226 PolarHBondContact O-N 2.95Å; W226-W229 HydrophobicContact CE3-CE3 4.36Å; W226-W229 HydrophobicContact CZ3-CD2 4.39Å; W226-W229 HydrophobicContact CZ3-CE3 4.1Å; W226-W229 HydrophobicContact CZ3-CZ3 4.48Å; W226-W229 PolarHBondContact O-N 3.19Å; W226-I230 WeakPolarHBondContact O-CB 3.32Å; W226-I230 VanDerWaalsContact O-CG1 3.27Å; W226-I230 WeakPolarHBondContact O-CG1 3.45Å; W226-I230 PolarHBondContact O-N 3.47Å
227S96.5Very high95.7Very high17 Ų1746.1 Ų46.112%0.11926%0.257CS..Hα-helixtrans-66.2-41177.558.50000112.5V223 P224 A225 D231 W459 Y468V223-S227 PolarHBondContact O-N 3.28Å; V223-S227 PolarHBondContact O-OG 3.41Å; P224-S227 WeakPolarHBondContact CA-OG 3.31Å; P224-S227 PolarHBondContact O-N 3.47Å; P224-S227 PolarHBondContact O-OG 2.87Å; A225-S227 VanDerWaalsContact C-N 3.32Å; A225-S227 PolarHBondContact O-N 2.98Å; S227-D231 WeakPolarHBondContact O-CB 3.27Å; S227-D231 PolarHBondContact O-N 2.87Å; S227-W459 WeakPolarHBondContact OG-CZ3 3.26Å; S227-Y468 PolarHBondContact OG-O 3.29Å
228L95.1Very high95.8Very high48 Ų4848.1 Ų48.125%0.25126%0.264SS..Hα-helixtrans-64.4-41.7173.8175.459000111.8P224 A225 D231 S232 V466 Y468P224-L228 PolarHBondContact O-N 3.24Å; A225-L228 PolarHBondContact O-N 3.07Å; L228-D231 PolarHBondContact O-N 3.19Å; L228-S232 VanDerWaalsContact O-CB 3.3Å; L228-S232 WeakPolarHBondContact O-CB 3.43Å; L228-S232 PolarHBondContact O-N 3.38Å; L228-S232 PolarHBondContact O-OG 2.76Å; L228-V466 HydrophobicContact CD2-CG1 3.81Å; L228-Y468 HydrophobicContact CB-CD1 4.12Å; L228-Y468 HydrophobicContact CD2-CD1 4.12Å; L228-Y468 HydrophobicContact CD2-CE1 4.28Å; L228-Y468 PolarHBondContact N-O 2.89Å
229W96.3Very high96Very high60 Ų6046.9 Ų46.923%0.22725%0.252CS..Hα-helixtrans-61.5-48.7178.3-169.996.2000111.1V77 Q80 I220 A225 W226 D231 S232 F233V77-W229 PolarHBondContact O-NE1 2.79Å; Q80-W229 HydrophobicContact CB-CZ2 4.25Å; Q80-W229 PolarHBondContact OE1-O 3.39Å; I220-W229 HydrophobicContact CD1-CB 4.09Å; I220-W229 HydrophobicContact CD1-CD2 3.98Å; I220-W229 HydrophobicContact CD1-CG 3.54Å; I220-W229 HydrophobicContact CG1-CG 4.43Å; A225-W229 WeakPolarHBondContact O-CB 3.31Å; A225-W229 PolarHBondContact O-N 3.42Å; W226-W229 HydrophobicContact CE3-CE3 4.36Å; W226-W229 HydrophobicContact CZ3-CD2 4.39Å; W226-W229 HydrophobicContact CZ3-CE3 4.1Å; W226-W229 HydrophobicContact CZ3-CZ3 4.48Å; W226-W229 PolarHBondContact O-N 3.19Å; W229-D231 PolarHBondContact O-N 2.89Å; W229-S232 PolarHBondContact O-N 3.02Å; W229-F233 HydrophobicContact CE3-CB 4.31Å; W229-F233 HydrophobicContact CH2-CB 4.44Å; W229-F233 HydrophobicContact CH2-CD2 4.05Å; W229-F233 HydrophobicContact CH2-CG 4.25Å; W229-F233 HydrophobicContact CZ3-CB 4.05Å; W229-F233 HydrophobicContact CZ3-CD2 4.43Å; W229-F233 HydrophobicContact CZ3-CG 4.17Å; W229-F233 WeakPolarHBondContact O-CB 3.43Å; W229-F233 PolarHBondContact O-N 3.44Å
230I97.5Very high96.1Very high83 Ų8342.5 Ų42.543%0.42623%0.225SC..Hα-helixtrans-63-43.9177.8-67.6167.1000111W226 S232 F233 L234W226-I230 WeakPolarHBondContact O-CB 3.32Å; W226-I230 VanDerWaalsContact O-CG1 3.27Å; W226-I230 WeakPolarHBondContact O-CG1 3.45Å; W226-I230 PolarHBondContact O-N 3.47Å; I230-S232 VanDerWaalsContact C-N 3.28Å; I230-S232 PolarHBondContact O-N 3.23Å; I230-F233 PolarHBondContact O-N 3Å; I230-L234 HydrophobicContact CG2-CD1 3.89Å; I230-L234 HydrophobicContact CG2-CG 4.26Å; I230-L234 VanDerWaalsContact O-CG 3.26Å; I230-L234 WeakPolarHBondContact O-CG 3.27Å; I230-L234 PolarHBondContact O-N 2.98Å
231D97.6Very high96.3Very high1 Ų141.3 Ų41.31%0.00522%0.219CC..Hα-helixtrans-57-45.1177.6-165.829.5000111.5S227 L228 W229 L234 L235 P470 F471 K472 T473S227-D231 WeakPolarHBondContact O-CB 3.27Å; S227-D231 PolarHBondContact O-N 2.87Å; L228-D231 PolarHBondContact O-N 3.19Å; W229-D231 PolarHBondContact O-N 2.89Å; D231-L234 PolarHBondContact O-N 3.45Å; D231-L235 WeakPolarHBondContact O-CB 3.47Å; D231-L235 PolarHBondContact O-N 3.31Å; D231-P470 HydrophobicContact CB-CB 3.68Å; D231-P470 VanDerWaalsContact CG-CA 3.44Å; D231-P470 VanDerWaalsContact OD2-C 3.31Å; D231-P470 VanDerWaalsContact OD2-CA 3.3Å; D231-P470 WeakPolarHBondContact OD2-CA 3.2Å; D231-F471 PolarHBondContact OD2-N 3.27Å; D231-K472 WeakPolarHBondContact OD2-CB 3.4Å; D231-K472 WeakPolarHBondContact OD2-CG 3.47Å; D231-K472 PolarHBondContact OD2-N 3.34Å; D231-K472 VanDerWaalsContact OD2-N 3.15Å; D231-T473 WeakPolarHBondContact OD1-CA 3.48Å; D231-T473 WeakPolarHBondContact OD1-CB 2.9Å; D231-T473 PolarHBondContact OD1-N 3.42Å; D231-T473 PolarHBondContact OD1-OG1 2.97Å
232S96.6Very high96.6Very high10 Ų1034.2 Ų34.27%0.0719%0.186CC..Hα-helixtrans-67-40.9178.5-60.30000112.1L228 W229 I230 L235 L236L228-S232 VanDerWaalsContact O-CB 3.3Å; L228-S232 WeakPolarHBondContact O-CB 3.43Å; L228-S232 PolarHBondContact O-N 3.38Å; L228-S232 PolarHBondContact O-OG 2.76Å; W229-S232 PolarHBondContact O-N 3.02Å; I230-S232 VanDerWaalsContact C-N 3.28Å; I230-S232 PolarHBondContact O-N 3.23Å; S232-L235 WeakPolarHBondContact O-CB 3.5Å; S232-L235 PolarHBondContact O-N 2.83Å; S232-L236 WeakPolarHBondContact O-CD1 3.38Å; S232-L236 VanDerWaalsContact O-CG 3.29Å; S232-L236 WeakPolarHBondContact O-CG 3.43Å; S232-L236 PolarHBondContact O-N 3.21Å
233F97.9Very high96.7Very high57 Ų5732.3 Ų32.325%0.2516%0.164CC..Hα-helixtrans-63.6-41.9176.3-172.9-100.4000111.9Q80 L83 W229 I230 L236 T237Q80-F233 HydrophobicContact CB-CD2 4.26Å; Q80-F233 VanDerWaalsContact OE1-CA 3.31Å; Q80-F233 VanDerWaalsContact OE1-N 3.11Å; L83-F233 HydrophobicContact CB-CE2 4.2Å; W229-F233 HydrophobicContact CE3-CB 4.31Å; W229-F233 HydrophobicContact CH2-CB 4.44Å; W229-F233 HydrophobicContact CH2-CD2 4.05Å; W229-F233 HydrophobicContact CH2-CG 4.25Å; W229-F233 HydrophobicContact CZ3-CB 4.05Å; W229-F233 HydrophobicContact CZ3-CD2 4.43Å; W229-F233 HydrophobicContact CZ3-CG 4.17Å; W229-F233 WeakPolarHBondContact O-CB 3.43Å; W229-F233 PolarHBondContact O-N 3.44Å; I230-F233 PolarHBondContact O-N 3Å; F233-L236 PolarHBondContact O-N 2.97Å; F233-T237 VanDerWaalsContact O-CB 3.31Å; F233-T237 WeakPolarHBondContact O-CB 3.36Å; F233-T237 PolarHBondContact O-N 3.43Å; F233-T237 PolarHBondContact O-OG1 3.09Å
234L98.4Very high96.8Very high48 Ų4827.4 Ų27.425%0.25113%0.134SC..Hα-helixtrans-65.5-40.9176.1-68171.8000111.4I230 D231 T237 F238 T473I230-L234 HydrophobicContact CG2-CD1 3.89Å; I230-L234 HydrophobicContact CG2-CG 4.26Å; I230-L234 VanDerWaalsContact O-CG 3.26Å; I230-L234 WeakPolarHBondContact O-CG 3.27Å; I230-L234 PolarHBondContact O-N 2.98Å; D231-L234 PolarHBondContact O-N 3.45Å; L234-T237 PolarHBondContact O-N 3.45Å; L234-F238 HydrophobicContact CB-CD2 4.38Å; L234-F238 HydrophobicContact CD2-CD2 4.13Å; L234-F238 HydrophobicContact CD2-CE2 3.67Å; L234-F238 WeakPolarHBondContact O-CB 3.33Å; L234-F238 WeakPolarHBondContact O-CD2 3.33Å; L234-F238 PolarHBondContact O-N 3.27Å; L234-T473 HydrophobicContact CD1-CG2 4.1Å
235L97.9Very high96.8Very high0 Ų025.4 Ų25.40%012%0.121CC..Hα-helixtrans-57.1-49.4173.4175158.1000111.4D231 S232 T237 G239 F402 D406 Y409 K472D231-L235 WeakPolarHBondContact O-CB 3.47Å; D231-L235 PolarHBondContact O-N 3.31Å; S232-L235 WeakPolarHBondContact O-CB 3.5Å; S232-L235 PolarHBondContact O-N 2.83Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-T237 PolarHBondContact O-N 3.45Å; L235-G239 WeakPolarHBondContact O-CA 3.48Å; L235-G239 PolarHBondContact O-N 2.83Å; L235-F402 HydrophobicContact CD1-CZ 4.49Å; L235-F402 HydrophobicContact CD2-CE2 4.38Å; L235-F402 HydrophobicContact CD2-CZ 4.4Å; L235-D406 HydrophobicContact CD1-CB 4.15Å; L235-D406 WeakPolarHBondContact CD1-OD1 3.38Å; L235-Y409 HydrophobicContact CB-CD1 3.69Å; L235-Y409 HydrophobicContact CB-CE1 4.07Å; L235-Y409 HydrophobicContact CB-CG 4.18Å; L235-Y409 HydrophobicContact CD1-CD1 4.33Å; L235-Y409 HydrophobicContact CG-CD1 3.94Å; L235-Y409 HydrophobicContact CG-CG 4.26Å; L235-K472 HydrophobicContact CD1-CB 4.47Å; L235-K472 HydrophobicContact CD1-CD 3.4Å
236L97.4Very high96.9Very high0 Ų024.4 Ų24.40%011%0.112CC..Hα-helixtrans-66.9-38.1-179.1-68.6159.5000111.5Q80 A81 Y85 S232 F233 G240 F402Q80-L236 HydrophobicContact CG-CD1 3.59Å; A81-L236 HydrophobicContact CB-CD1 3.92Å; A81-L236 HydrophobicContact CB-CD2 3.82Å; A81-L236 HydrophobicContact CB-CG 4.46Å; Y85-L236 WeakPolarHBondContact CD1-O 3.42Å; Y85-L236 HydrophobicContact CE1-CD2 4.24Å; Y85-L236 WeakPolarHBondContact CE1-O 3.34Å; Y85-L236 HydrophobicContact CE2-CD2 3.82Å; S232-L236 WeakPolarHBondContact O-CD1 3.38Å; S232-L236 VanDerWaalsContact O-CG 3.29Å; S232-L236 WeakPolarHBondContact O-CG 3.43Å; S232-L236 PolarHBondContact O-N 3.21Å; F233-L236 PolarHBondContact O-N 2.97Å; L236-G240 PolarHBondContact O-N 3.42Å; L236-F402 HydrophobicContact CD1-CD2 3.97Å; L236-F402 HydrophobicContact CD1-CE2 3.89Å; L236-F402 HydrophobicContact CD2-CD2 3.92Å; L236-F402 HydrophobicContact CD2-CE2 4.35Å; L236-F402 HydrophobicContact CG-CD2 4.13Å; L236-F402 HydrophobicContact CG-CE2 4.09Å
237T98.2Very high96.9Very high5 Ų518.6 Ų18.63%0.0319%0.09CC..Hα-helixtrans-70.4-51.4-179.5-58.70000112.5G84 A87 S88 I91 F233 L234 L235G84-T237 WeakPolarHBondContact O-CA 3.49Å; A87-T237 HydrophobicContact CB-CG2 3.76Å; S88-T237 VanDerWaalsContact CA-O 3.3Å; S88-T237 WeakPolarHBondContact CA-O 3.36Å; S88-T237 WeakPolarHBondContact CB-O 3.5Å; I91-T237 HydrophobicContact CD1-CG2 3.63Å; F233-T237 VanDerWaalsContact O-CB 3.31Å; F233-T237 WeakPolarHBondContact O-CB 3.36Å; F233-T237 PolarHBondContact O-N 3.43Å; F233-T237 PolarHBondContact O-OG1 3.09Å; L234-T237 PolarHBondContact O-N 3.45Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-T237 PolarHBondContact O-N 3.45Å
238F98.4Very high96.8Very high51 Ų5117.8 Ų17.822%0.2249%0.085CC..Hα-helixtrans-90.8-28-174.4-67.8-64.3000112.8I91 L234 G240 I241 P242 Y409 F413I91-F238 HydrophobicContact CD1-CE1 4.34Å; I91-F238 HydrophobicContact CG2-CE1 4.4Å; L234-F238 HydrophobicContact CB-CD2 4.38Å; L234-F238 HydrophobicContact CD2-CD2 4.13Å; L234-F238 HydrophobicContact CD2-CE2 3.67Å; L234-F238 WeakPolarHBondContact O-CB 3.33Å; L234-F238 WeakPolarHBondContact O-CD2 3.33Å; L234-F238 PolarHBondContact O-N 3.27Å; F238-G240 VanDerWaalsContact C-N 3.29Å; F238-I241 HydrophobicContact CD1-CD1 3.89Å; F238-I241 PolarHBondContact O-N 3.43Å; F238-P242 WeakPolarHBondContact O-CD 3.5Å; F238-Y409 HydrophobicContact CB-CD2 3.62Å; F238-Y409 HydrophobicContact CB-CE2 3.57Å; F238-Y409 HydrophobicContact CD2-CE2 4.22Å; F238-Y409 HydrophobicContact CG-CE2 4.33Å; F238-F413 HydrophobicContact CB-CD1 3.93Å; F238-F413 HydrophobicContact CB-CD2 4.06Å; F238-F413 HydrophobicContact CB-CE1 3.95Å; F238-F413 HydrophobicContact CB-CE2 4.09Å; F238-F413 HydrophobicContact CB-CG 3.98Å; F238-F413 HydrophobicContact CB-CZ 4.04Å; F238-F413 HydrophobicContact CD1-CD2 4.41Å; F238-F413 AromaticContact CD1-CE1 3.84Å; F238-F413 HydrophobicContact CD1-CE1 3.84Å; F238-F413 AromaticContact CD1-CE2 3.61Å; F238-F413 HydrophobicContact CD1-CE2 3.61Å; F238-F413 AromaticContact CD1-CZ 3.27Å; F238-F413 HydrophobicContact CD1-CZ 3.27Å; F238-F413 HydrophobicContact CE1-CE2 4.49Å; F238-F413 AromaticContact CE1-CZ 3.92Å; F238-F413 HydrophobicContact CE1-CZ 3.92Å; F238-F413 HydrophobicContact CG-CD1 4.43Å; F238-F413 AromaticContact CG-CE1 3.95Å; F238-F413 HydrophobicContact CG-CE1 3.95Å; F238-F413 HydrophobicContact CG-CE2 4.24Å; F238-F413 AromaticContact CG-CZ 3.85Å; F238-F413 HydrophobicContact CG-CZ 3.85Å; F238-F413 WeakPolarHBondContact O-CD2 3.24Å
239G97.3Very high96.8Very high0 Ų015.5 Ų15.50%07%0.073CC..Hα-helixtrans-66.9-29.5169.200000112.7L235 I241 P242 V408L235-G239 WeakPolarHBondContact O-CA 3.48Å; L235-G239 PolarHBondContact O-N 2.83Å; G239-I241 PolarHBondContact O-N 2.68Å; G239-P242 WeakPolarHBondContact O-CD 3.32Å; G239-V408 WeakPolarHBondContact O-CG1 3.18Å
240G95.9Very high96.7Very high0 Ų012.6 Ų12.60%06%0.062CC..THydrogen-bonded Turntrans-71.6-8.1174.500000115.5W58 L236 F238W58-G240 WeakPolarHBondContact CH2-O 3.36Å; L236-G240 PolarHBondContact O-N 3.42Å; F238-G240 VanDerWaalsContact C-N 3.29Å
241I97.5Very high96.5Very high0 Ų08.7 Ų8.70%04%0.042CC..SBendtrans-85.1-54.8-176.1-62172.9000112.9I91 F96 F238 G239 W243 F247 F413 L416I91-I241 HydrophobicContact CB-CD1 4.1Å; I91-I241 HydrophobicContact CG2-CD1 3.7Å; F96-I241 HydrophobicContact CD2-CG2 3.55Å; F96-I241 HydrophobicContact CE2-CG2 3.74Å; F96-I241 HydrophobicContact CG-CG2 4.37Å; F238-I241 HydrophobicContact CD1-CD1 3.89Å; F238-I241 PolarHBondContact O-N 3.43Å; G239-I241 PolarHBondContact O-N 2.68Å; I241-W243 PolarHBondContact O-N 3.35Å; I241-F247 WeakPolarHBondContact O-CE2 3.45Å; I241-F413 HydrophobicContact CB-CD2 4.46Å; I241-F413 HydrophobicContact CD1-CE2 3.99Å; I241-L416 HydrophobicContact CG2-CD2 4.02Å
242P97.3Very high96.1Very high1 Ų18.6 Ų8.61%0.0064%0.041CC..SBendtrans-77.857.917936.2-37.7000110.4M108 F238 G239 V408 L412 F413 L416M108-P242 VanDerWaalsContact CE-O 3.26Å; M108-P242 WeakPolarHBondContact CE-O 3.25Å; F238-P242 WeakPolarHBondContact O-CD 3.5Å; G239-P242 WeakPolarHBondContact O-CD 3.32Å; P242-V408 HydrophobicContact CB-CG1 4.47Å; P242-V408 HydrophobicContact CG-CG1 3.55Å; P242-L412 HydrophobicContact CB-CB 3.88Å; P242-L412 HydrophobicContact CG-CB 3.88Å; P242-F413 HydrophobicContact CG-CB 4.04Å; P242-L416 HydrophobicContact CB-CB 4.24Å; P242-L416 HydrophobicContact CB-CD2 3.76Å
243W95.2Very high95.9Very high6 Ų68.1 Ų8.12%0.0234%0.038CC..  trans-112.1127.9-179.9-145-77.1000110.4G131 E132 W135 I241 V245 Y246 F247 C404 S405 V408G131-W243 VanDerWaalsContact C-CZ2 3.48Å; G131-W243 WeakPolarHBondContact O-CZ2 3.31Å; E132-W243 PolarHBondContact OE1-NE1 3.25Å; E132-W243 VanDerWaalsContact OE1-NE1 3.13Å; E132-W243 PolarHBondContact OE2-NE1 3.35Å; W135-W243 HydrophobicContact CB-CZ2 4.1Å; W135-W243 HydrophobicContact CD2-CZ2 4.47Å; W135-W243 AromaticContact CE3-CE2 3.74Å; W135-W243 AromaticContact CE3-CZ2 3.9Å; W135-W243 HydrophobicContact CE3-CZ2 3.9Å; W135-W243 AromaticContact CE3-NE1 3.28Å; W135-W243 VanDerWaalsContact CE3-NE1 3.28Å; W135-W243 AromaticContact CZ3-CD1 3.86Å; W135-W243 AromaticContact CZ3-NE1 3.37Å; I241-W243 PolarHBondContact O-N 3.35Å; W243-V245 VanDerWaalsContact C-N 3.32Å; W243-V245 PolarHBondContact O-N 2.86Å; W243-Y246 PolarHBondContact O-N 2.81Å; W243-F247 WeakPolarHBondContact O-CD2 3.41Å; W243-F247 PolarHBondContact O-N 3.18Å; W243-F247 VanDerWaalsContact O-N 3.1Å; W243-C404 HydrophobicContact CH2-CB 3.78Å; W243-C404 VanDerWaalsContact CH2-O 3.27Å; W243-C404 WeakPolarHBondContact CH2-O 3.45Å; W243-C404 WeakPolarHBondContact CH2-SG 3.27Å; W243-C404 HydrophobicContact CZ2-CB 4.37Å; W243-S405 WeakPolarHBondContact CZ3-OG 3.31Å; W243-V408 HydrophobicContact CE3-CB 4.44Å; W243-V408 HydrophobicContact CE3-CG1 3.84Å; W243-V408 HydrophobicContact CE3-CG2 4.36Å; W243-V408 HydrophobicContact CH2-CG2 4.21Å; W243-V408 HydrophobicContact CZ3-CB 4Å; W243-V408 HydrophobicContact CZ3-CG1 3.91Å; W243-V408 HydrophobicContact CZ3-CG2 3.78Å
244Q96.3Very high95.4Very high1 Ų110 Ų101%0.0055%0.046CC..Hα-helixtrans-65.7-40-176.3165.271.910.400110.7M108 Y246 F247 Q248 S349 M353M108-Q244 HydrophobicContact CE-CB 3.83Å; M108-Q244 HydrophobicContact CG-CB 3.92Å; M108-Q244 HydrophobicContact SD-CB 4.35Å; Q244-Y246 VanDerWaalsContact C-N 3.3Å; Q244-Y246 PolarHBondContact O-N 3.33Å; Q244-F247 CarbonylContact O-C 3.57Å; Q244-F247 PolarHBondContact O-N 3.46Å; Q244-F247 VanDerWaalsContact O-N 3.14Å; Q244-Q248 VanDerWaalsContact O-CB 3.25Å; Q244-Q248 WeakPolarHBondContact O-CB 3.35Å; Q244-Q248 PolarHBondContact O-N 2.9Å; Q244-S349 WeakPolarHBondContact CB-OG 3.29Å; Q244-S349 WeakPolarHBondContact CG-OG 3.3Å; Q244-M353 HydrophobicContact CB-CE 3.61Å; Q244-M353 HydrophobicContact CB-CG 3.9Å; Q244-M353 HydrophobicContact CB-SD 3.5Å; Q244-M353 WeakPolarHBondContact CB-SD 3.26Å; Q244-M353 HydrophobicContact CG-CE 4.1Å; Q244-M353 HydrophobicContact CG-CG 3.64Å; Q244-M353 HydrophobicContact CG-SD 3.97Å
245V95.1Very high95.1Very high1 Ų110 Ų101%0.0065%0.05CC..Hα-helixtrans-53.9-46.8177178.60000112.2T57 E132 W135 W243 Q248 R249 S345 S349T57-V245 HydrophobicContact CG2-CB 4.44Å; T57-V245 HydrophobicContact CG2-CG1 3.01Å; E132-V245 WeakPolarHBondContact OE1-CG2 3.22Å; W135-V245 HydrophobicContact CE3-CG2 4.38Å; W135-V245 HydrophobicContact CH2-CB 4.37Å; W135-V245 HydrophobicContact CH2-CG1 4.08Å; W135-V245 HydrophobicContact CH2-CG2 4.4Å; W135-V245 HydrophobicContact CZ3-CB 3.85Å; W135-V245 HydrophobicContact CZ3-CG1 4.03Å; W135-V245 HydrophobicContact CZ3-CG2 3.6Å; W243-V245 VanDerWaalsContact C-N 3.32Å; W243-V245 PolarHBondContact O-N 2.86Å; V245-Q248 PolarHBondContact O-N 2.98Å; V245-R249 PolarHBondContact O-N 3.33Å; V245-S345 WeakPolarHBondContact CG2-O 3.34Å; V245-S349 WeakPolarHBondContact CG2-OG 3.48Å; V245-S349 PolarHBondContact N-OG 2.94Å; V245-S349 VanDerWaalsContact N-OG 3.13Å
246Y96.5Very high94.8Very high1 Ų110.5 Ų10.50%0.0045%0.054CC..Hα-helixtrans-59.7-52.1175.3168.4-111.7000111.2M54 L89 G92 G93 W243 Q244 Q248 R249 V250 S263M54-Y246 HydrophobicContact CE-CD2 3.82Å; M54-Y246 HydrophobicContact CE-CE2 3.78Å; M54-Y246 HydrophobicContact SD-CD2 3.66Å; M54-Y246 HydrophobicContact SD-CE2 4.12Å; L89-Y246 HydrophobicContact CD2-CD2 3.49Å; L89-Y246 VanDerWaalsContact CD2-CD2 3.49Å; L89-Y246 HydrophobicContact CD2-CE2 3.69Å; G92-Y246 PolarHBondContact O-OH 3.18Å; G93-Y246 WeakPolarHBondContact CA-OH 3.44Å; G93-Y246 PolarHBondContact N-OH 2.83Å; G93-Y246 VanDerWaalsContact N-OH 3.07Å; W243-Y246 PolarHBondContact O-N 2.81Å; Q244-Y246 VanDerWaalsContact C-N 3.3Å; Q244-Y246 PolarHBondContact O-N 3.33Å; Y246-Q248 VanDerWaalsContact C-N 3.28Å; Y246-Q248 PolarHBondContact O-N 2.6Å; Y246-R249 PolarHBondContact O-N 2.99Å; Y246-V250 HydrophobicContact CD1-CG2 4.42Å; Y246-V250 HydrophobicContact CD2-CG2 4.26Å; Y246-V250 HydrophobicContact CE1-CG2 3.89Å; Y246-V250 HydrophobicContact CE2-CG2 3.7Å; Y246-V250 VanDerWaalsContact CZ-CG2 3.48Å; Y246-V250 PolarHBondContact O-N 3.47Å; Y246-S263 WeakPolarHBondContact CE2-OG 3.17Å; Y246-S263 PolarHBondContact OH-OG 3.13Å
247F96.3Very high94.6Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-66.3-30.2-179.4-79.4-62.8000113F96 M100 M108 I241 W243 Q244 R249 V250 L251 L416F96-F247 HydrophobicContact CB-CE1 3.88Å; F96-F247 HydrophobicContact CB-CZ 3.72Å; F96-F247 HydrophobicContact CG-CZ 4.36Å; M100-F247 HydrophobicContact CB-CD1 4.08Å; M100-F247 HydrophobicContact CB-CE1 3.96Å; M100-F247 HydrophobicContact CE-CD1 3.97Å; M100-F247 HydrophobicContact CE-CE1 4.11Å; M100-F247 HydrophobicContact CE-CG 4.26Å; M100-F247 HydrophobicContact CE-CZ 4.47Å; M100-F247 HydrophobicContact CG-CD1 4.02Å; M100-F247 HydrophobicContact CG-CE1 3.52Å; M100-F247 HydrophobicContact CG-CZ 4.19Å; M108-F247 HydrophobicContact CB-CB 3.84Å; M108-F247 HydrophobicContact CB-CD2 3.47Å; M108-F247 VanDerWaalsContact CB-CD2 3.47Å; M108-F247 HydrophobicContact CB-CE2 4.32Å; M108-F247 HydrophobicContact CB-CG 3.88Å; M108-F247 HydrophobicContact CG-CD2 4.49Å; M108-F247 HydrophobicContact SD-CD2 4.39Å; I241-F247 WeakPolarHBondContact O-CE2 3.45Å; W243-F247 WeakPolarHBondContact O-CD2 3.41Å; W243-F247 PolarHBondContact O-N 3.18Å; W243-F247 VanDerWaalsContact O-N 3.1Å; Q244-F247 CarbonylContact O-C 3.57Å; Q244-F247 PolarHBondContact O-N 3.46Å; Q244-F247 VanDerWaalsContact O-N 3.14Å; F247-R249 VanDerWaalsContact C-N 3.28Å; F247-R249 PolarHBondContact O-N 2.59Å; F247-V250 HydrophobicContact CD1-CB 4.37Å; F247-V250 HydrophobicContact CD1-CG1 4.3Å; F247-V250 PolarHBondContact O-N 2.82Å; F247-L251 HydrophobicContact CB-CD1 4.38Å; F247-L251 WeakPolarHBondContact O-CB 3.21Å; F247-L251 WeakPolarHBondContact O-CG 3.38Å; F247-L251 PolarHBondContact O-N 3.47Å; F247-L416 HydrophobicContact CE2-CD2 3.89Å; F247-L416 HydrophobicContact CZ-CD2 3.99Å
248Q93.8Very high94.3Very high0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-61.6-40.9175.9-168.1168.82800110.2M39 L40 L175 Q244 V245 Y246 S252 S352M39-Q248 WeakPolarHBondContact O-CG 3.36Å; M39-Q248 PolarHBondContact O-NE2 2.96Å; L40-Q248 HydrophobicContact CD2-CG 4.19Å; L175-Q248 HydrophobicContact CD1-CG 4.2Å; L175-Q248 HydrophobicContact CD2-CG 4.05Å; Q244-Q248 VanDerWaalsContact O-CB 3.25Å; Q244-Q248 WeakPolarHBondContact O-CB 3.35Å; Q244-Q248 PolarHBondContact O-N 2.9Å; V245-Q248 PolarHBondContact O-N 2.98Å; Y246-Q248 VanDerWaalsContact C-N 3.28Å; Y246-Q248 PolarHBondContact O-N 2.6Å; Q248-S252 VanDerWaalsContact O-CB 3.22Å; Q248-S252 WeakPolarHBondContact O-CB 3.36Å; Q248-S252 PolarHBondContact O-N 3.42Å; Q248-S252 PolarHBondContact O-OG 2.89Å; Q248-S352 PolarHBondContact NE2-OG 2.84Å
249R94.6Very high94.1Very high0 Ų018.8 Ų18.80%09%0.091CC..Hα-helixtrans-69.8-44173.5-60.1-46.8-167.5-94.93.5112.4T53 M54 T57 L175 D182 V245 Y246 F247 L251 S252 S253 S345T53-R249 HydrophobicContact CG2-CG 4.46Å; T53-R249 PolarHBondContact OG1-NE 3.13Å; T53-R249 PolarHBondContact OG1-NH2 2.85Å; M54-R249 HydrophobicContact CE-CB 3.43Å; M54-R249 VanDerWaalsContact CE-CB 3.43Å; M54-R249 HydrophobicContact CE-CG 4.44Å; M54-R249 HydrophobicContact SD-CB 3.68Å; M54-R249 HydrophobicContact SD-CG 4.07Å; T57-R249 PolarHBondContact OG1-NH2 3.5Å; T57-R249 VanDerWaalsContact OG1-NH2 3.11Å; L175-R249 VanDerWaalsContact CD1-CZ 3.43Å; D182-R249 IonicContact OD2-NH2 2.75Å; D182-R249 PolarHBondContact OD2-NH2 2.97Å; V245-R249 PolarHBondContact O-N 3.33Å; Y246-R249 PolarHBondContact O-N 2.99Å; F247-R249 VanDerWaalsContact C-N 3.28Å; F247-R249 PolarHBondContact O-N 2.59Å; R249-L251 VanDerWaalsContact C-N 3.35Å; R249-L251 PolarHBondContact O-N 3.18Å; R249-S252 WeakPolarHBondContact CA-OG 3.16Å; R249-S252 PolarHBondContact O-N 3.26Å; R249-S252 PolarHBondContact O-OG 3.13Å; R249-S253 PolarHBondContact O-N 2.9Å; R249-S345 PolarHBondContact NH2-OG 3.45Å
250V94.9Very high94Very high0 Ų021.1 Ų21.10%010%0.101CC..Hα-helixtrans-55.9-48.6173.9163.40000111.4M54 A97 R101 Y246 F247 S253 A259M54-V250 HydrophobicContact CE-CG2 4.02Å; A97-V250 HydrophobicContact CB-CG1 4.03Å; A97-V250 HydrophobicContact CB-CG2 4.13Å; A97-V250 WeakPolarHBondContact O-CG1 3.41Å; R101-V250 HydrophobicContact CB-CG1 4.38Å; Y246-V250 HydrophobicContact CD1-CG2 4.42Å; Y246-V250 HydrophobicContact CD2-CG2 4.26Å; Y246-V250 HydrophobicContact CE1-CG2 3.89Å; Y246-V250 HydrophobicContact CE2-CG2 3.7Å; Y246-V250 VanDerWaalsContact CZ-CG2 3.48Å; Y246-V250 PolarHBondContact O-N 3.47Å; F247-V250 HydrophobicContact CD1-CB 4.37Å; F247-V250 HydrophobicContact CD1-CG1 4.3Å; F247-V250 PolarHBondContact O-N 2.82Å; V250-S253 VanDerWaalsContact O-CB 3.28Å; V250-S253 WeakPolarHBondContact O-CB 3.45Å; V250-S253 PolarHBondContact O-N 3.33Å; V250-S253 PolarHBondContact O-OG 3.01Å; V250-A259 HydrophobicContact CB-CB 4.42Å; V250-A259 HydrophobicContact CG1-CB 3.93Å
251L93.2Very high94.1Very high0 Ų023.5 Ų23.50%012%0.115CC..Hα-helixtrans-73.4-29.5-175.2-64.9172.6000112.1L40 R43 M100 R101 Y105 F247 R249 S253L40-L251 HydrophobicContact CD1-CB 4.07Å; L40-L251 HydrophobicContact CD2-CB 3.75Å; R43-L251 WeakPolarHBondContact CG-O 3.32Å; M100-L251 HydrophobicContact CB-CD2 4.3Å; M100-L251 VanDerWaalsContact O-CD2 3.28Å; M100-L251 WeakPolarHBondContact O-CD2 3.37Å; R101-L251 PolarHBondContact NE-O 2.99Å; Y105-L251 WeakPolarHBondContact O-CD2 3.38Å; F247-L251 HydrophobicContact CB-CD1 4.38Å; F247-L251 WeakPolarHBondContact O-CB 3.21Å; F247-L251 WeakPolarHBondContact O-CG 3.38Å; F247-L251 PolarHBondContact O-N 3.47Å; R249-L251 VanDerWaalsContact C-N 3.35Å; R249-L251 PolarHBondContact O-N 3.18Å; L251-S253 PolarHBondContact O-N 3.39Å
252S90.4Very high93.9Very high0 Ų023.5 Ų23.50%012%0.115CC..THydrogen-bonded Turntrans-71.2-8.2172.974.70000114.9L40 R43 I45 L175 Q248 R249L40-S252 WeakPolarHBondContact O-CA 3.06Å; L40-S252 VanDerWaalsContact O-CB 3.22Å; L40-S252 WeakPolarHBondContact O-CB 3.47Å; R43-S252 CarbonylContact C-O 3.22Å; R43-S252 WeakPolarHBondContact CA-O 3.22Å; I45-S252 WeakPolarHBondContact CD1-OG 3.38Å; I45-S252 PolarHBondContact N-O 2.99Å; L175-S252 VanDerWaalsContact CD2-CB 3.49Å; Q248-S252 VanDerWaalsContact O-CB 3.22Å; Q248-S252 WeakPolarHBondContact O-CB 3.36Å; Q248-S252 PolarHBondContact O-N 3.42Å; Q248-S252 PolarHBondContact O-OG 2.89Å; R249-S252 WeakPolarHBondContact CA-OG 3.16Å; R249-S252 PolarHBondContact O-N 3.26Å; R249-S252 PolarHBondContact O-OG 3.13Å
253S90.7Very high93.8Very high0 Ų023.4 Ų23.40%012%0.115CC..BIsolated β-bridgetrans-71.4154.4178.472.10000112R43 R101 R249 V250 L251 S255 A259 F262R43-S253 CarbonylContact O-C 3.59Å; R101-S253 VanDerWaalsContact CZ-O 3.23Å; R101-S253 PolarHBondContact NE-O 3.29Å; R101-S253 PolarHBondContact NH2-O 3.18Å; R249-S253 PolarHBondContact O-N 2.9Å; V250-S253 VanDerWaalsContact O-CB 3.28Å; V250-S253 WeakPolarHBondContact O-CB 3.45Å; V250-S253 PolarHBondContact O-N 3.33Å; V250-S253 PolarHBondContact O-OG 3.01Å; L251-S253 PolarHBondContact O-N 3.39Å; S253-S255 PolarHBondContact OG-O 2.69Å; S253-A259 WeakPolarHBondContact OG-CB 3.44Å; S253-F262 VanDerWaalsContact CB-CE2 3.5Å
254K88.5Confident93.9Very high96 Ų9626.7 Ų26.742%0.41713%0.129SC..SBendtrans-71.5-30.6176-54.1-157.2-168-165.20113.6R43 N44 R101R43-K254 WeakPolarHBondContact O-CA 2.96Å; R43-K254 WeakPolarHBondContact O-CG 3.34Å; R43-K254 PolarHBondContact O-N 3.38Å; N44-K254 VanDerWaalsContact O-CE 3.27Å; N44-K254 WeakPolarHBondContact O-CE 3.49Å; N44-K254 WeakPolarHBondContact OD1-CE 3.37Å; N44-K254 PolarHBondContact OD1-NZ 2.67Å; R101-K254 PolarHBondContact NH2-O 3.2Å; R101-K254 VanDerWaalsContact NH2-O 3.09Å
255S91.2Very high94Very high47 Ų4729.5 Ų29.533%0.32915%0.146SC..SBendtrans-148.7156.4-175.871.30000111.5S253 M257 R258 A259S253-S255 PolarHBondContact OG-O 2.69Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.35Å; S255-R258 WeakPolarHBondContact O-CB 3.47Å; S255-R258 PolarHBondContact O-N 3.25Å; S255-R258 VanDerWaalsContact O-N 3.09Å; S255-R258 WeakPolarHBondContact OG-CG 3.48Å; S255-R258 PolarHBondContact OG-N 2.76Å; S255-A259 PolarHBondContact O-N 2.99Å
256A91.8Very high94.1Very high11 Ų1129.4 Ų29.49%0.09115%0.146CC..Hα-helixtrans-59.4-40-179.300000113E98 R101 N102 R258 A259 K260E98-A256 HydrophobicContact CB-CB 4.36Å; E98-A256 HydrophobicContact CG-CB 3.89Å; R101-A256 HydrophobicContact CB-CB 4.4Å; R101-A256 HydrophobicContact CG-CB 4.42Å; N102-A256 VanDerWaalsContact OD1-CB 3.3Å; N102-A256 WeakPolarHBondContact OD1-CB 3.43Å; A256-R258 VanDerWaalsContact C-N 3.33Å; A256-R258 PolarHBondContact O-N 3.38Å; A256-A259 VanDerWaalsContact O-CB 3.31Å; A256-A259 WeakPolarHBondContact O-CB 3.34Å; A256-A259 PolarHBondContact O-N 3.43Å; A256-A259 VanDerWaalsContact O-N 3.13Å; A256-K260 WeakPolarHBondContact O-CG 3.4Å; A256-K260 PolarHBondContact O-N 2.87Å
257M93Very high94.1Very high138 Ų13829.5 Ų29.568%0.6815%0.147SC*.Hα-helixtrans-58.5-44.2174.6-175.66113100111.7S255 A259 K260 V261S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.35Å; M257-A259 VanDerWaalsContact C-N 3.33Å; M257-A259 PolarHBondContact O-N 2.72Å; M257-K260 PolarHBondContact O-N 2.72Å; M257-V261 WeakPolarHBondContact O-CG2 3.16Å; M257-V261 PolarHBondContact O-N 3.14Å
258R92.8Very high94.2Very high93 Ų9334.7 Ų34.735%0.35117%0.174SC..Hα-helixtrans-63.7-40176.1-70.7-179.2-176.4-168.72.2111.3S255 A256 K260 V261 F262S255-R258 WeakPolarHBondContact O-CB 3.47Å; S255-R258 PolarHBondContact O-N 3.25Å; S255-R258 VanDerWaalsContact O-N 3.09Å; S255-R258 WeakPolarHBondContact OG-CG 3.48Å; S255-R258 PolarHBondContact OG-N 2.76Å; A256-R258 VanDerWaalsContact C-N 3.33Å; A256-R258 PolarHBondContact O-N 3.38Å; R258-K260 VanDerWaalsContact C-N 3.3Å; R258-K260 PolarHBondContact O-N 3.3Å; R258-V261 PolarHBondContact O-N 3.42Å; R258-F262 HydrophobicContact CB-CE1 3.89Å; R258-F262 HydrophobicContact CB-CZ 4.17Å; R258-F262 WeakPolarHBondContact O-CD1 3.2Å; R258-F262 WeakPolarHBondContact O-CE1 3.22Å; R258-F262 VanDerWaalsContact O-CG 3.24Å; R258-F262 WeakPolarHBondContact O-CG 3.25Å; R258-F262 PolarHBondContact O-N 2.81Å
259A92.8Very high94.3Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-58.2-41.5176.100000112.8A97 R101 V250 S253 S255 A256 M257 F262 S263A97-A259 HydrophobicContact CB-CB 4.28Å; R101-A259 HydrophobicContact CB-CB 4.45Å; V250-A259 HydrophobicContact CB-CB 4.42Å; V250-A259 HydrophobicContact CG1-CB 3.93Å; S253-A259 WeakPolarHBondContact OG-CB 3.44Å; S255-A259 PolarHBondContact O-N 2.99Å; A256-A259 VanDerWaalsContact O-CB 3.31Å; A256-A259 WeakPolarHBondContact O-CB 3.34Å; A256-A259 PolarHBondContact O-N 3.43Å; A256-A259 VanDerWaalsContact O-N 3.13Å; M257-A259 VanDerWaalsContact C-N 3.33Å; M257-A259 PolarHBondContact O-N 2.72Å; A259-F262 PolarHBondContact O-N 3.46Å; A259-S263 PolarHBondContact O-N 3.31Å; A259-S263 PolarHBondContact O-OG 3.01Å
260K96.2Very high94.4Very high49 Ų4935.5 Ų35.521%0.21318%0.182CC..Hα-helixtrans-64-48.1174-62178.891.6161.10111A97 E98 A256 M257 R258 F262 S263 F264A97-K260 HydrophobicContact CB-CG 4.33Å; E98-K260 HydrophobicContact CB-CD 4.12Å; E98-K260 HydrophobicContact CB-CG 4.39Å; E98-K260 IonicContact OE2-NZ 3.21Å; E98-K260 PolarHBondContact OE2-NZ 3.28Å; A256-K260 WeakPolarHBondContact O-CG 3.4Å; A256-K260 PolarHBondContact O-N 2.87Å; M257-K260 PolarHBondContact O-N 2.72Å; R258-K260 VanDerWaalsContact C-N 3.3Å; R258-K260 PolarHBondContact O-N 3.3Å; K260-F262 VanDerWaalsContact C-N 3.31Å; K260-F262 PolarHBondContact O-N 2.96Å; K260-S263 WeakPolarHBondContact O-CB 3.25Å; K260-S263 PolarHBondContact O-N 2.8Å; K260-S263 VanDerWaalsContact O-N 3.08Å; K260-F264 HydrophobicContact CB-CD2 4.35Å; K260-F264 HydrophobicContact CB-CE2 4.11Å; K260-F264 WeakPolarHBondContact O-CD2 3.5Å; K260-F264 PolarHBondContact O-N 2.64Å
261V96.9Very high94.5Very high49 Ų4938.4 Ų38.430%0.29720%0.199SC..Hα-helixtrans-59.7-41.5178.3175.80000111.4L47 I51 M257 R258 S263 F264 V265L47-V261 HydrophobicContact CD1-CB 4.38Å; L47-V261 HydrophobicContact CD1-CG1 3.84Å; I51-V261 HydrophobicContact CD1-CG1 4.3Å; M257-V261 WeakPolarHBondContact O-CG2 3.16Å; M257-V261 PolarHBondContact O-N 3.14Å; R258-V261 PolarHBondContact O-N 3.42Å; V261-S263 VanDerWaalsContact C-N 3.25Å; V261-S263 PolarHBondContact O-N 2.73Å; V261-F264 PolarHBondContact O-N 3.04Å; V261-V265 HydrophobicContact CG1-CG2 3.88Å; V261-V265 WeakPolarHBondContact O-CB 3.41Å; V261-V265 VanDerWaalsContact O-CG2 3.31Å; V261-V265 WeakPolarHBondContact O-CG2 3.4Å; V261-V265 PolarHBondContact O-N 3.09Å
262F93.5Very high94.6Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-55.2-46.9174.9-65.32.4000110.1L47 I51 M54 S253 R258 A259 K260 A266L47-F262 HydrophobicContact CD1-CD1 3.95Å; L47-F262 HydrophobicContact CD1-CE1 3.66Å; I51-F262 HydrophobicContact CG1-CD1 4.1Å; M54-F262 HydrophobicContact CE-CB 3.98Å; S253-F262 VanDerWaalsContact CB-CE2 3.5Å; R258-F262 HydrophobicContact CB-CE1 3.89Å; R258-F262 HydrophobicContact CB-CZ 4.17Å; R258-F262 WeakPolarHBondContact O-CD1 3.2Å; R258-F262 WeakPolarHBondContact O-CE1 3.22Å; R258-F262 VanDerWaalsContact O-CG 3.24Å; R258-F262 WeakPolarHBondContact O-CG 3.25Å; R258-F262 PolarHBondContact O-N 2.81Å; A259-F262 PolarHBondContact O-N 3.46Å; K260-F262 VanDerWaalsContact C-N 3.31Å; K260-F262 PolarHBondContact O-N 2.96Å; F262-A266 WeakPolarHBondContact O-CB 3.38Å; F262-A266 PolarHBondContact O-N 3.27Å
263S96.7Very high94.8Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-65.2-49-177.1-50.40000112.2L89 Y246 A259 K260 V261 A267L89-S263 WeakPolarHBondContact O-CB 3.33Å; Y246-S263 WeakPolarHBondContact CE2-OG 3.17Å; Y246-S263 PolarHBondContact OH-OG 3.13Å; A259-S263 PolarHBondContact O-N 3.31Å; A259-S263 PolarHBondContact O-OG 3.01Å; K260-S263 WeakPolarHBondContact O-CB 3.25Å; K260-S263 PolarHBondContact O-N 2.8Å; K260-S263 VanDerWaalsContact O-N 3.08Å; V261-S263 VanDerWaalsContact C-N 3.25Å; V261-S263 PolarHBondContact O-N 2.73Å; S263-A267 PolarHBondContact O-N 3.48Å
264F97.2Very high95Very high74 Ų7443.4 Ų43.433%0.32523%0.225SC..Hα-helixtrans-69-44.7-178.4-70-64.6000113.4I94 K260 V261 A266 A267 I268I94-F264 HydrophobicContact CB-CZ 4.45Å; I94-F264 HydrophobicContact CD1-CE1 3.96Å; I94-F264 HydrophobicContact CD1-CZ 4.2Å; I94-F264 HydrophobicContact CG1-CE1 3.54Å; I94-F264 HydrophobicContact CG1-CZ 3.33Å; K260-F264 HydrophobicContact CB-CD2 4.35Å; K260-F264 HydrophobicContact CB-CE2 4.11Å; K260-F264 WeakPolarHBondContact O-CD2 3.5Å; K260-F264 PolarHBondContact O-N 2.64Å; V261-F264 PolarHBondContact O-N 3.04Å; F264-A266 VanDerWaalsContact C-N 3.31Å; F264-A267 WeakPolarHBondContact O-CB 3.31Å; F264-A267 PolarHBondContact O-N 3.45Å; F264-I268 PolarHBondContact O-N 3.46Å
265V97.7Very high95.4Very high60 Ų6041.4 Ų41.436%0.36422%0.221SC..Hα-helixtrans-69.9-35.2-179.4-175.90000110I51 V261 I268 G269I51-V265 HydrophobicContact CD1-CB 4.17Å; I51-V265 HydrophobicContact CD1-CG1 4.16Å; I51-V265 HydrophobicContact CD1-CG2 4.27Å; I51-V265 HydrophobicContact CG1-CB 4.17Å; I51-V265 HydrophobicContact CG1-CG1 4.39Å; I51-V265 HydrophobicContact CG2-CB 3.93Å; I51-V265 HydrophobicContact CG2-CG1 3.47Å; I51-V265 VanDerWaalsContact CG2-CG1 3.47Å; V261-V265 HydrophobicContact CG1-CG2 3.88Å; V261-V265 WeakPolarHBondContact O-CB 3.41Å; V261-V265 VanDerWaalsContact O-CG2 3.31Å; V261-V265 WeakPolarHBondContact O-CG2 3.4Å; V261-V265 PolarHBondContact O-N 3.09Å; V265-I268 PolarHBondContact O-N 3.13Å; V265-G269 PolarHBondContact O-N 3.19Å
266A97Very high95.7Very high0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-66.8-35.2173.200000113M54 T55 L89 F262 F264 I268 G269 C270M54-A266 HydrophobicContact CB-CB 3.75Å; M54-A266 HydrophobicContact CG-CB 3.35Å; T55-A266 WeakPolarHBondContact OG1-CA 3.35Å; L89-A266 HydrophobicContact CD1-CB 4.05Å; F262-A266 WeakPolarHBondContact O-CB 3.38Å; F262-A266 PolarHBondContact O-N 3.27Å; F264-A266 VanDerWaalsContact C-N 3.31Å; A266-I268 PolarHBondContact O-N 3.09Å; A266-G269 CarbonylContact O-C 3.5Å; A266-G269 PolarHBondContact O-N 3.35Å; A266-C270 WeakPolarHBondContact O-CB 3.49Å; A266-C270 PolarHBondContact O-N 3.06Å; A266-C270 PolarHBondContact O-SG 3.07Å
267A97.8Very high95.9Very high3 Ų338.7 Ų38.73%0.02520%0.201CC..Hα-helixtrans-58.7-48.1173.100000111.7A86 L89 S90 S263 F264 G269 C270 V271A86-A267 VanDerWaalsContact O-CB 3.25Å; A86-A267 WeakPolarHBondContact O-CB 3.38Å; L89-A267 HydrophobicContact CB-CB 3.87Å; S90-A267 WeakPolarHBondContact OG-CB 3.32Å; S263-A267 PolarHBondContact O-N 3.48Å; F264-A267 WeakPolarHBondContact O-CB 3.31Å; F264-A267 PolarHBondContact O-N 3.45Å; A267-G269 VanDerWaalsContact C-N 3.34Å; A267-C270 PolarHBondContact O-N 3.45Å; A267-V271 WeakPolarHBondContact O-CG2 3.21Å; A267-V271 PolarHBondContact O-N 2.89Å
268I97.6Very high96.1Very high108 Ų10834.1 Ų34.155%0.55418%0.179SC*.Hα-helixtrans-62.6-44.6174.9-61.9168.5000110.3F264 V265 A266 C270 V271 I272F264-I268 PolarHBondContact O-N 3.46Å; V265-I268 PolarHBondContact O-N 3.13Å; A266-I268 PolarHBondContact O-N 3.09Å; I268-C270 VanDerWaalsContact C-N 3.34Å; I268-C270 PolarHBondContact O-N 2.77Å; I268-V271 PolarHBondContact O-N 3.32Å; I268-I272 HydrophobicContact CG2-CD1 3.94Å; I268-I272 WeakPolarHBondContact O-CG1 3.4Å; I268-I272 PolarHBondContact O-N 3.38Å
269G96.1Very high96.3Very high16 Ų1631.8 Ų31.817%0.16517%0.173CC..Hα-helixtrans-55.2-47.3176.800000112.1V265 A266 A267 V271 I272 M273V265-G269 PolarHBondContact O-N 3.19Å; A266-G269 CarbonylContact O-C 3.5Å; A266-G269 PolarHBondContact O-N 3.35Å; A267-G269 VanDerWaalsContact C-N 3.34Å; G269-V271 PolarHBondContact O-N 2.9Å; G269-I272 PolarHBondContact O-N 3.22Å; G269-M273 WeakPolarHBondContact O-CB 3.28Å; G269-M273 WeakPolarHBondContact O-CG 3.48Å; G269-M273 PolarHBondContact O-N 2.83Å
270C96.3Very high96.6Very high1 Ų131.9 Ų31.91%0.00717%0.174CC..Hα-helixtrans-58.2-51.4177.1-680000110.7Y63 A86 A266 A267 I268 I272 M273 V274Y63-C270 HydrophobicContact CE2-CB 4.36Å; Y63-C270 PolarHBondContact OH-O 3.47Å; A86-C270 HydrophobicContact CB-CB 4.48Å; A266-C270 WeakPolarHBondContact O-CB 3.49Å; A266-C270 PolarHBondContact O-N 3.06Å; A266-C270 PolarHBondContact O-SG 3.07Å; A267-C270 PolarHBondContact O-N 3.45Å; I268-C270 VanDerWaalsContact C-N 3.34Å; I268-C270 PolarHBondContact O-N 2.77Å; C270-I272 PolarHBondContact O-N 3.34Å; C270-I272 VanDerWaalsContact O-N 3.17Å; C270-M273 PolarHBondContact O-N 2.81Å; C270-V274 PolarHBondContact O-N 2.84Å
271V96Very high96.7Very high61 Ų6129.6 Ų29.637%0.3716%0.164SC..Hα-helixtrans-56-36.9178.9176.10000112.3L83 A86 A267 I268 G269 V274L83-V271 HydrophobicContact CD2-CG2 4.28Å; A86-V271 HydrophobicContact CB-CG2 3.6Å; A267-V271 WeakPolarHBondContact O-CG2 3.21Å; A267-V271 PolarHBondContact O-N 2.89Å; I268-V271 PolarHBondContact O-N 3.32Å; G269-V271 PolarHBondContact O-N 2.9Å; V271-V274 WeakPolarHBondContact O-CG1 3.4Å
272I95.8Very high96.7Very high87 Ų8727.5 Ų27.545%0.44615%0.152SC..Hα-helixtrans-71.3-42.9175.6-66.6168.6000111F190 I268 G269 C270 V274 V275F190-I272 HydrophobicContact CE2-CG2 4.03Å; I268-I272 HydrophobicContact CG2-CD1 3.94Å; I268-I272 WeakPolarHBondContact O-CG1 3.4Å; I268-I272 PolarHBondContact O-N 3.38Å; G269-I272 PolarHBondContact O-N 3.22Å; C270-I272 PolarHBondContact O-N 3.34Å; C270-I272 VanDerWaalsContact O-N 3.17Å; I272-V274 VanDerWaalsContact C-N 3.31Å; I272-V274 PolarHBondContact O-N 3.38Å; I272-V275 PolarHBondContact O-N 3.28Å
273M95.1Very high97Very high13 Ų1327.5 Ų27.56%0.06415%0.152CC..Hα-helixtrans-71.5-20.3-174.3-69.3-64.6-6000114T55 V59 L186 I189 F190 G269 C270 P276T55-M273 HydrophobicContact CG2-CG 4.23Å; V59-M273 HydrophobicContact CB-CB 4.46Å; V59-M273 HydrophobicContact CG1-CB 3.85Å; V59-M273 HydrophobicContact CG1-CE 3.93Å; V59-M273 HydrophobicContact CG1-CG 4.38Å; V59-M273 HydrophobicContact CG2-CB 3.66Å; V59-M273 HydrophobicContact CG2-CG 4.05Å; L186-M273 HydrophobicContact CD1-CE 3.72Å; L186-M273 HydrophobicContact CD1-CG 4.18Å; L186-M273 HydrophobicContact CD1-SD 4.04Å; I189-M273 HydrophobicContact CB-CE 3.98Å; I189-M273 HydrophobicContact CG2-CE 3.6Å; F190-M273 HydrophobicContact CB-CE 3.98Å; F190-M273 HydrophobicContact CB-SD 3.91Å; F190-M273 HydrophobicContact CD2-CE 4.48Å; F190-M273 HydrophobicContact CD2-SD 3.55Å; F190-M273 VanDerWaalsContact CD2-SD 3.55Å; F190-M273 HydrophobicContact CG-SD 4.17Å; G269-M273 WeakPolarHBondContact O-CB 3.28Å; G269-M273 WeakPolarHBondContact O-CG 3.48Å; G269-M273 PolarHBondContact O-N 2.83Å; C270-M273 PolarHBondContact O-N 2.81Å; M273-P276 WeakPolarHBondContact O-CD 3.39Å
274V95.6Very high97Very high5 Ų527.5 Ų27.53%0.0315%0.152CC..Hα-helixtrans-74.1-31175.775.90000112.5Y63 P82 C270 V271 I272 P276 S277 L278Y63-V274 HydrophobicContact CD1-CB 4.49Å; Y63-V274 HydrophobicContact CD1-CG2 4.43Å; Y63-V274 HydrophobicContact CE1-CB 3.47Å; Y63-V274 VanDerWaalsContact CE1-CB 3.47Å; Y63-V274 HydrophobicContact CE1-CG2 3.78Å; Y63-V274 WeakPolarHBondContact OH-CB 3.41Å; P82-V274 HydrophobicContact CB-CB 4.02Å; P82-V274 HydrophobicContact CB-CG1 4.26Å; P82-V274 HydrophobicContact CB-CG2 3.58Å; P82-V274 HydrophobicContact CG-CB 4.46Å; P82-V274 HydrophobicContact CG-CG2 3.5Å; C270-V274 PolarHBondContact O-N 2.84Å; V271-V274 WeakPolarHBondContact O-CG1 3.4Å; I272-V274 VanDerWaalsContact C-N 3.31Å; I272-V274 PolarHBondContact O-N 3.38Å; V274-P276 VanDerWaalsContact C-N 3.35Å; V274-P276 VanDerWaalsContact O-N 3.16Å; V274-S277 WeakPolarHBondContact O-CA 3.39Å; V274-S277 WeakPolarHBondContact O-CB 3.41Å; V274-S277 PolarHBondContact O-N 3.48Å; V274-L278 HydrophobicContact CG1-CD1 3.94Å; V274-L278 HydrophobicContact CG1-CD2 4.45Å; V274-L278 HydrophobicContact CG1-CG 4.13Å; V274-L278 HydrophobicContact CG2-CD2 3.68Å; V274-L278 HydrophobicContact CG2-CG 3.97Å; V274-L278 PolarHBondContact O-N 3.02Å
275V96.8Very high97.1Very high54 Ų5427.1 Ų27.133%0.32715%0.15SC..Hα-helixtrans-50.1-46.5-170175.10000113.1W194 I272 S277 L278 I279W194-V275 HydrophobicContact CH2-CG1 4.1Å; W194-V275 HydrophobicContact CZ2-CG1 4.07Å; I272-V275 PolarHBondContact O-N 3.28Å; V275-S277 VanDerWaalsContact C-N 3.31Å; V275-S277 PolarHBondContact O-N 3.2Å; V275-L278 WeakPolarHBondContact O-CB 3.48Å; V275-L278 PolarHBondContact O-N 2.87Å; V275-L278 VanDerWaalsContact O-N 3.16Å; V275-I279 HydrophobicContact CG1-CD1 3.91Å; V275-I279 WeakPolarHBondContact O-CG1 3.47Å; V275-I279 PolarHBondContact O-N 3.21Å; V275-I279 VanDerWaalsContact O-N 3.07Å
276P96.5Very high97.1Very high1 Ų124.3 Ų24.31%0.00613%0.133CC..Hα-helixtrans-56.8-43175.3-28.237.5000114L193 W194 I197 M273 V274 L278 I279 I280L193-P276 HydrophobicContact CB-CB 3.58Å; L193-P276 HydrophobicContact CB-CG 4.31Å; L193-P276 HydrophobicContact CD1-CB 4.08Å; L193-P276 HydrophobicContact CG-CB 4.48Å; W194-P276 HydrophobicContact CD2-CG 4.14Å; W194-P276 HydrophobicContact CG-CG 4.21Å; W194-P276 HydrophobicContact CZ2-CG 4.13Å; I197-P276 HydrophobicContact CD1-CB 3.88Å; M273-P276 WeakPolarHBondContact O-CD 3.39Å; V274-P276 VanDerWaalsContact C-N 3.35Å; V274-P276 VanDerWaalsContact O-N 3.16Å; P276-L278 VanDerWaalsContact C-N 3.31Å; P276-L278 PolarHBondContact O-N 2.99Å; P276-I279 PolarHBondContact O-N 3.06Å; P276-I280 WeakPolarHBondContact O-CB 3.35Å; P276-I280 WeakPolarHBondContact O-CD1 3.15Å; P276-I280 VanDerWaalsContact O-CG1 3.25Å; P276-I280 WeakPolarHBondContact O-CG1 3.48Å; P276-I280 PolarHBondContact O-N 3.14Å
277S96.3Very high97.1Very high0 Ų024.6 Ų24.60%014%0.135CC..Hα-helixtrans-67.1-35.2179.2-48.70000111.4V274 V275 I280 G281V274-S277 WeakPolarHBondContact O-CA 3.39Å; V274-S277 WeakPolarHBondContact O-CB 3.41Å; V274-S277 PolarHBondContact O-N 3.48Å; V275-S277 VanDerWaalsContact C-N 3.31Å; V275-S277 PolarHBondContact O-N 3.2Å; S277-I280 PolarHBondContact O-N 3.41Å; S277-G281 PolarHBondContact O-N 3.4Å
278L97.4Very high97.1Very high43 Ų4326.1 Ų26.123%0.22514%0.143CC..Hα-helixtrans-62.5-47.2174.8-54.2-178000111.2I71 L76 V274 V275 P276 I280 G281 A282I71-L278 VanDerWaalsContact CD1-CA 3.45Å; I71-L278 HydrophobicContact CD1-CB 3.91Å; I71-L278 HydrophobicContact CD1-CD2 3.54Å; I71-L278 HydrophobicContact CD1-CG 4.31Å; L76-L278 HydrophobicContact CD1-CD1 4.16Å; L76-L278 HydrophobicContact CD1-CD2 4.13Å; V274-L278 HydrophobicContact CG1-CD1 3.94Å; V274-L278 HydrophobicContact CG1-CD2 4.45Å; V274-L278 HydrophobicContact CG1-CG 4.13Å; V274-L278 HydrophobicContact CG2-CD2 3.68Å; V274-L278 HydrophobicContact CG2-CG 3.97Å; V274-L278 PolarHBondContact O-N 3.02Å; V275-L278 WeakPolarHBondContact O-CB 3.48Å; V275-L278 PolarHBondContact O-N 2.87Å; V275-L278 VanDerWaalsContact O-N 3.16Å; P276-L278 VanDerWaalsContact C-N 3.31Å; P276-L278 PolarHBondContact O-N 2.99Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-G281 PolarHBondContact O-N 3.2Å; L278-A282 PolarHBondContact O-N 3.4Å
279I97.9Very high97Very high44 Ų4421 Ų2123%0.22612%0.117CC..Hα-helixtrans-64.7-41.7178.8-63.6165.2000110.4W194 I197 M201 V275 P276 G281 A282 V283W194-I279 HydrophobicContact CH2-CD1 4.24Å; W194-I279 HydrophobicContact CZ3-CD1 4.37Å; I197-I279 HydrophobicContact CD1-CB 4.24Å; I197-I279 HydrophobicContact CD1-CD1 4.02Å; I197-I279 HydrophobicContact CD1-CG2 4.34Å; I197-I279 HydrophobicContact CG1-CG2 4.33Å; I197-I279 HydrophobicContact CG2-CG2 3.73Å; M201-I279 HydrophobicContact SD-CG2 4.06Å; V275-I279 HydrophobicContact CG1-CD1 3.91Å; V275-I279 WeakPolarHBondContact O-CG1 3.47Å; V275-I279 PolarHBondContact O-N 3.21Å; V275-I279 VanDerWaalsContact O-N 3.07Å; P276-I279 PolarHBondContact O-N 3.06Å; I279-G281 PolarHBondContact O-N 3.47Å; I279-A282 PolarHBondContact O-N 3.04Å; I279-V283 HydrophobicContact CG2-CG2 4.31Å; I279-V283 WeakPolarHBondContact O-CB 3.19Å; I279-V283 WeakPolarHBondContact O-CG2 3.47Å; I279-V283 PolarHBondContact O-N 2.65Å
280I97.8Very high97Very high2 Ų223 Ų231%0.0113%0.126CC..Hα-helixtrans-61.7-42.9176.9-72.9165.2000111.4A68 L193 I197 P276 S277 L278 V283 A284 L315 V318 L319A68-I280 HydrophobicContact CB-CG2 4.37Å; L193-I280 HydrophobicContact CD2-CD1 3.92Å; I197-I280 HydrophobicContact CG1-CG1 4.42Å; P276-I280 WeakPolarHBondContact O-CB 3.35Å; P276-I280 WeakPolarHBondContact O-CD1 3.15Å; P276-I280 VanDerWaalsContact O-CG1 3.25Å; P276-I280 WeakPolarHBondContact O-CG1 3.48Å; P276-I280 PolarHBondContact O-N 3.14Å; S277-I280 PolarHBondContact O-N 3.41Å; L278-I280 VanDerWaalsContact C-N 3.35Å; I280-V283 PolarHBondContact O-N 2.91Å; I280-A284 WeakPolarHBondContact O-CB 3.41Å; I280-A284 PolarHBondContact O-N 3.25Å; I280-L315 HydrophobicContact CD1-CD1 4.35Å; I280-L315 HydrophobicContact CG2-CB 4.34Å; I280-L315 HydrophobicContact CG2-CD1 4.13Å; I280-L315 HydrophobicContact CG2-CG 4.01Å; I280-V318 HydrophobicContact CG1-CG1 4.48Å; I280-V318 HydrophobicContact CG2-CB 3.87Å; I280-V318 HydrophobicContact CG2-CG1 3.88Å; I280-V318 HydrophobicContact CG2-CG2 4.12Å; I280-L319 HydrophobicContact CD1-CD2 4.18Å
281G98.1Very high96.9Very high0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-61.6-42.5174.500000112.7S277 L278 I279 A284 K285S277-G281 PolarHBondContact O-N 3.4Å; L278-G281 PolarHBondContact O-N 3.2Å; I279-G281 PolarHBondContact O-N 3.47Å; G281-A284 PolarHBondContact O-N 2.93Å; G281-K285 PolarHBondContact O-N 3.48Å
282A98.3Very high96.8Very high5 Ų525.7 Ų25.74%0.04114%0.136CC..Hα-helixtrans-63.1-47.3174.900000111.6W216 L278 I279 A284 K285 S286W216-A282 HydrophobicContact CD2-CB 3.62Å; W216-A282 HydrophobicContact CE3-CB 3.97Å; W216-A282 HydrophobicContact CG-CB 3.87Å; W216-A282 HydrophobicContact CZ2-CB 4.28Å; W216-A282 HydrophobicContact CZ3-CB 4.45Å; L278-A282 PolarHBondContact O-N 3.4Å; I279-A282 PolarHBondContact O-N 3.04Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A282-A284 PolarHBondContact O-N 3.4Å; A282-K285 WeakPolarHBondContact O-CB 3.41Å; A282-K285 PolarHBondContact O-N 3.05Å; A282-K285 VanDerWaalsContact O-N 3.1Å; A282-S286 PolarHBondContact O-N 3.24Å; A282-S286 PolarHBondContact O-OG 3.23Å
283V98.4Very high96.5Very high1 Ų128.1 Ų28.11%0.00615%0.149CC..Hα-helixtrans-55.4-48.6175.3165.10000110.9A200 M201 T206 V209 I279 I280 K285 S286 T287 V318 L322A200-V283 HydrophobicContact CB-CG1 4.01Å; M201-V283 HydrophobicContact CG-CG2 3.65Å; T206-V283 HydrophobicContact CG2-CG1 3.87Å; V209-V283 HydrophobicContact CG1-CG2 3.77Å; I279-V283 HydrophobicContact CG2-CG2 4.31Å; I279-V283 WeakPolarHBondContact O-CB 3.19Å; I279-V283 WeakPolarHBondContact O-CG2 3.47Å; I279-V283 PolarHBondContact O-N 2.65Å; I280-V283 PolarHBondContact O-N 2.91Å; V283-K285 PolarHBondContact O-N 3.19Å; V283-S286 CarbonylContact O-C 3.53Å; V283-S286 PolarHBondContact O-N 3.36Å; V283-T287 PolarHBondContact O-N 2.9Å; V283-T287 PolarHBondContact O-OG1 2.89Å; V283-V318 HydrophobicContact CG1-CG1 4.17Å; V283-L322 HydrophobicContact CG1-CD1 3.78Å
284A98.3Very high96.3Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-56.4-37.5178.800000112.8Y72 I280 G281 A282 W289 T314 V318Y72-A284 HydrophobicContact CD2-CB 3.87Å; I280-A284 WeakPolarHBondContact O-CB 3.41Å; I280-A284 PolarHBondContact O-N 3.25Å; G281-A284 PolarHBondContact O-N 2.93Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A282-A284 PolarHBondContact O-N 3.4Å; A284-W289 HydrophobicContact CB-CZ2 4.1Å; A284-W289 PolarHBondContact O-NE1 3.14Å; A284-T314 HydrophobicContact CB-CG2 3.44Å; A284-T314 VanDerWaalsContact CB-CG2 3.44Å; A284-V318 HydrophobicContact CB-CG2 3.56Å
285K97.9Very high96.1Very high65 Ų6531.3 Ų31.328%0.28316%0.163SC..Hα-helixtrans-73.8-33.5178.1-167.562.5163.7-162.10112.1Y72 Q215 W216 G281 A282 V283 T287Y72-K285 HydrophobicContact CD2-CB 4.12Å; Y72-K285 HydrophobicContact CD2-CD 3.98Å; Y72-K285 HydrophobicContact CE2-CD 4.05Å; Y72-K285 WeakPolarHBondContact O-CD 3.43Å; Y72-K285 WeakPolarHBondContact O-CE 3.41Å; Y72-K285 PolarHBondContact O-NZ 2.84Å; Q215-K285 HydrophobicContact CB-CG 4.3Å; Q215-K285 WeakPolarHBondContact O-CE 3.29Å; W216-K285 HydrophobicContact CB-CB 3.97Å; W216-K285 HydrophobicContact CB-CG 3.9Å; G281-K285 PolarHBondContact O-N 3.48Å; A282-K285 WeakPolarHBondContact O-CB 3.41Å; A282-K285 PolarHBondContact O-N 3.05Å; A282-K285 VanDerWaalsContact O-N 3.1Å; V283-K285 PolarHBondContact O-N 3.19Å; K285-T287 VanDerWaalsContact C-N 3.32Å
286S97.9Very high95.7Very high1 Ų129.2 Ų29.21%0.00715%0.151CC..Hα-helixtrans-81.2-5.1177.1-52.60000114.2Q207 T212 A282 V283Q207-S286 WeakPolarHBondContact CB-O 3.18Å; Q207-S286 PolarHBondContact N-O 3Å; T212-S286 WeakPolarHBondContact OG1-CB 3.49Å; T212-S286 PolarHBondContact OG1-OG 3.4Å; A282-S286 PolarHBondContact O-N 3.24Å; A282-S286 PolarHBondContact O-OG 3.23Å; V283-S286 CarbonylContact O-C 3.53Å; V283-S286 PolarHBondContact O-N 3.36Å
287T98Very high95.3Very high7 Ų733.3 Ų33.34%0.04317%0.167CC..BIsolated β-bridgetrans-89.4132.3-178.7-64.20000111.6A205 T206 V283 K285 W289 T292 L322A205-T287 HydrophobicContact CB-CG2 4.07Å; A205-T287 WeakPolarHBondContact O-CA 3.33Å; T206-T287 PolarHBondContact OG1-OG1 2.76Å; T206-T287 VanDerWaalsContact OG1-OG1 3.09Å; V283-T287 PolarHBondContact O-N 2.9Å; V283-T287 PolarHBondContact O-OG1 2.89Å; K285-T287 VanDerWaalsContact C-N 3.32Å; T287-W289 HydrophobicContact CG2-CD2 4.11Å; T287-W289 HydrophobicContact CG2-CG 4.31Å; T287-W289 HydrophobicContact CG2-CZ2 4.41Å; T287-W289 VanDerWaalsContact O-CD1 3.25Å; T287-W289 PolarHBondContact O-N 2.88Å; T287-T292 HydrophobicContact CG2-CG2 4.2Å; T287-L322 HydrophobicContact CG2-CD1 4.1Å; T287-L322 HydrophobicContact CG2-CD2 3.95Å; T287-L322 VanDerWaalsContact OG1-CD1 3.29Å; T287-L322 WeakPolarHBondContact OG1-CD1 3.43Å
288N96.3Very high94.8Very high35 Ų3538.9 Ų38.919%0.18720%0.197CC..  trans-83.3103.4163.5-176.2-20.9000109.5A205 T290 M291A205-N288 PolarHBondContact O-N 2.98Å; N288-T290 PolarHBondContact O-N 3.33Å; N288-T290 WeakPolarHBondContact OD1-CB 3.34Å; N288-T290 PolarHBondContact OD1-N 2.91Å; N288-T290 VanDerWaalsContact OD1-N 3.08Å; N288-T290 PolarHBondContact OD1-OG1 2.88Å; N288-M291 HydrophobicContact CB-CG 4.42Å; N288-M291 HydrophobicContact CB-SD 4.29Å; N288-M291 PolarHBondContact O-N 3.29Å; N288-M291 VanDerWaalsContact O-N 3.16Å
289W96.3Very high94.3Very high1 Ų141.5 Ų41.50%0.00421%0.211CC..G310 helixtrans-67.7-18.2-172.7-69.888.7000113.8A284 T287 M291 T292 W294 Y303 E304 I306 L317 V318A284-W289 HydrophobicContact CB-CZ2 4.1Å; A284-W289 PolarHBondContact O-NE1 3.14Å; T287-W289 HydrophobicContact CG2-CD2 4.11Å; T287-W289 HydrophobicContact CG2-CG 4.31Å; T287-W289 HydrophobicContact CG2-CZ2 4.41Å; T287-W289 VanDerWaalsContact O-CD1 3.25Å; T287-W289 PolarHBondContact O-N 2.88Å; W289-M291 PolarHBondContact O-N 3.41Å; W289-T292 HydrophobicContact CE3-CG2 4.15Å; W289-T292 PolarHBondContact O-N 3.43Å; W289-T292 VanDerWaalsContact O-N 3.13Å; W289-T292 PolarHBondContact O-OG1 3.17Å; W289-W294 HydrophobicContact CB-CE3 4.4Å; W289-W294 HydrophobicContact CD2-CE3 4.24Å; W289-W294 HydrophobicContact CD2-CZ3 4.47Å; W289-W294 HydrophobicContact CE3-CD2 4.42Å; W289-W294 AromaticContact CE3-CE3 3.73Å; W289-W294 HydrophobicContact CE3-CE3 3.73Å; W289-W294 HydrophobicContact CE3-CZ3 4.34Å; W289-W294 HydrophobicContact CZ3-CE3 4.44Å; W289-Y303 CarbonylContact C-O 3.09Å; W289-Y303 WeakPolarHBondContact CB-O 3.17Å; W289-E304 VanDerWaalsContact CD1-O 3.29Å; W289-E304 PolarHBondContact N-O 3.42Å; W289-E304 VanDerWaalsContact N-O 3.09Å; W289-I306 HydrophobicContact CD2-CG1 3.98Å; W289-I306 HydrophobicContact CG-CG1 4.29Å; W289-I306 HydrophobicContact CH2-CD1 4.24Å; W289-I306 HydrophobicContact CZ2-CD1 3.57Å; W289-I306 HydrophobicContact CZ2-CG1 3.96Å; W289-L317 HydrophobicContact CH2-CB 3.56Å; W289-L317 HydrophobicContact CZ3-CB 3.76Å; W289-V318 HydrophobicContact CH2-CG2 4.16Å; W289-V318 HydrophobicContact CZ2-CG2 4.27Å
290T95.3Very high93.7Very high58 Ų5841.9 Ų41.936%0.35623%0.226SC..G310 helixtrans-66.5-24.8174.766.20000113.7N288 T292 K302 Y303 E304N288-T290 PolarHBondContact O-N 3.33Å; N288-T290 WeakPolarHBondContact OD1-CB 3.34Å; N288-T290 PolarHBondContact OD1-N 2.91Å; N288-T290 VanDerWaalsContact OD1-N 3.08Å; N288-T290 PolarHBondContact OD1-OG1 2.88Å; T290-T292 VanDerWaalsContact C-N 3.28Å; T290-K302 HydrophobicContact CG2-CB 4.27Å; T290-K302 WeakPolarHBondContact O-CD 3.32Å; T290-Y303 VanDerWaalsContact CG2-C 3.48Å; T290-Y303 PolarHBondContact N-O 2.95Å; T290-E304 HydrophobicContact CG2-CB 4.31Å
291M94.8Very high93.3Very high111 Ų11144.4 Ų44.455%0.54724%0.241SC..G310 helixtrans-78.7-13.7177-64.4-179.165.400112.6E204 A205 N288 W289E204-M291 WeakPolarHBondContact O-CE 3.42Å; A205-M291 HydrophobicContact CB-CB 3.74Å; N288-M291 HydrophobicContact CB-CG 4.42Å; N288-M291 HydrophobicContact CB-SD 4.29Å; N288-M291 PolarHBondContact O-N 3.29Å; N288-M291 VanDerWaalsContact O-N 3.16Å; W289-M291 PolarHBondContact O-N 3.41Å
292T93.6Very high93Very high6 Ų648.2 Ų48.24%0.03726%0.258CS..SBendtrans-87.6168.8177.477.20000111.3A205 T287 W289 T290 W294 K302 L322A205-T292 HydrophobicContact CB-CG2 4Å; T287-T292 HydrophobicContact CG2-CG2 4.2Å; W289-T292 HydrophobicContact CE3-CG2 4.15Å; W289-T292 PolarHBondContact O-N 3.43Å; W289-T292 VanDerWaalsContact O-N 3.13Å; W289-T292 PolarHBondContact O-OG1 3.17Å; T290-T292 VanDerWaalsContact C-N 3.28Å; T292-W294 PolarHBondContact O-N 3.34Å; T292-W294 WeakPolarHBondContact OG1-CB 3.3Å; T292-W294 PolarHBondContact OG1-N 3.29Å; T292-K302 WeakPolarHBondContact O-CE 3.07Å; T292-K302 PolarHBondContact O-NZ 3.37Å; T292-L322 HydrophobicContact CG2-CD2 3.84Å
293N90Very high92.8Very high138 Ų13852.6 Ų52.674%0.73827%0.274SS*.SBendtrans-859.9172.5-68.5-35.4000113.4Y321N293-Y321 HydrophobicContact CB-CD1 4.48Å; N293-Y321 HydrophobicContact CB-CE1 4.45Å
294W91Very high92.5Very high18 Ų1858.5 Ų58.57%0.06830%0.302CS..  trans-80.4130.2-178.3-178.856.5000111.4W289 T292 P296 I306 F310 L317 Y321W289-W294 HydrophobicContact CB-CE3 4.4Å; W289-W294 HydrophobicContact CD2-CE3 4.24Å; W289-W294 HydrophobicContact CD2-CZ3 4.47Å; W289-W294 HydrophobicContact CE3-CD2 4.42Å; W289-W294 AromaticContact CE3-CE3 3.73Å; W289-W294 HydrophobicContact CE3-CE3 3.73Å; W289-W294 HydrophobicContact CE3-CZ3 4.34Å; W289-W294 HydrophobicContact CZ3-CE3 4.44Å; T292-W294 PolarHBondContact O-N 3.34Å; T292-W294 WeakPolarHBondContact OG1-CB 3.3Å; T292-W294 PolarHBondContact OG1-N 3.29Å; W294-P296 HydrophobicContact CH2-CB 3.9Å; W294-P296 HydrophobicContact CH2-CG 4.31Å; W294-P296 HydrophobicContact CZ2-CB 3.74Å; W294-P296 HydrophobicContact CZ2-CG 4.48Å; W294-I306 HydrophobicContact CH2-CB 4.22Å; W294-I306 HydrophobicContact CH2-CG1 4.2Å; W294-I306 HydrophobicContact CH2-CG2 3.85Å; W294-I306 HydrophobicContact CZ3-CB 4.31Å; W294-I306 HydrophobicContact CZ3-CG1 3.97Å; W294-I306 HydrophobicContact CZ3-CG2 4.43Å; W294-F310 HydrophobicContact CH2-CB 4.15Å; W294-F310 HydrophobicContact CZ2-CB 4.09Å; W294-F310 HydrophobicContact CZ2-CG 4.21Å; W294-L317 HydrophobicContact CD2-CD1 4.19Å; W294-L317 HydrophobicContact CD2-CD2 3.99Å; W294-L317 HydrophobicContact CE3-CD1 4.39Å; W294-L317 HydrophobicContact CG-CD2 4Å; W294-L317 HydrophobicContact CH2-CD1 3.78Å; W294-L317 HydrophobicContact CZ2-CD1 3.54Å; W294-L317 HydrophobicContact CZ2-CD2 4.15Å; W294-L317 HydrophobicContact CZ3-CD1 4.21Å; W294-L317 VanDerWaalsContact NE1-CD2 3.32Å; W294-Y321 HydrophobicContact CB-CD1 3.79Å; W294-Y321 HydrophobicContact CB-CD2 4Å; W294-Y321 HydrophobicContact CB-CE1 3.72Å; W294-Y321 HydrophobicContact CB-CE2 3.96Å; W294-Y321 HydrophobicContact CB-CG 3.93Å; W294-Y321 AromaticContact CD1-CE2 3.51Å; W294-Y321 AromaticContact CD1-CZ 3.6Å; W294-Y321 HydrophobicContact CG-CD2 4.23Å; W294-Y321 HydrophobicContact CG-CE1 4.45Å; W294-Y321 AromaticContact CG-CE2 3.94Å; W294-Y321 HydrophobicContact CG-CE2 3.94Å
295E90.3Very high92.3Very high68 Ų6861.8 Ų61.832%0.31832%0.324SS..  trans-125.9104.1177.3-67.8-179-16600109Y297 N298 G300 K302E295-Y297 VanDerWaalsContact C-N 3.31Å; E295-Y297 PolarHBondContact O-N 3.44Å; E295-N298 PolarHBondContact O-N 2.85Å; E295-G300 WeakPolarHBondContact OE2-CA 3.41Å; E295-G300 PolarHBondContact OE2-N 3.03Å; E295-G300 VanDerWaalsContact OE2-N 3.15Å; E295-K302 HydrophobicContact CG-CG 4.28Å
296P89Confident92.2Very high10 Ų1058.8 Ų58.87%0.06531%0.311CS..THydrogen-bonded Turntrans-60.7-37.5-172.717.4-28.6000113.5W294 Y303 P307 F310W294-P296 HydrophobicContact CH2-CB 3.9Å; W294-P296 HydrophobicContact CH2-CG 4.31Å; W294-P296 HydrophobicContact CZ2-CB 3.74Å; W294-P296 HydrophobicContact CZ2-CG 4.48Å; P296-Y303 HydrophobicContact CG-CD2 3.64Å; P296-Y303 HydrophobicContact CG-CE2 4.06Å; P296-P307 HydrophobicContact CB-CG 4.46Å; P296-P307 HydrophobicContact CG-CG 4.34Å; P296-F310 HydrophobicContact CB-CD2 3.73Å; P296-F310 HydrophobicContact CB-CE2 3.55Å; P296-F310 HydrophobicContact CB-CG 4.46Å; P296-F310 HydrophobicContact CB-CZ 4.12Å; P296-F310 WeakPolarHBondContact O-CZ 3.43Å
297Y89.3Confident92.1Very high87 Ų8759.5 Ų59.534%0.34132%0.316SS..THydrogen-bonded Turntrans-106.57.4-175.6-52-75000114.1E295 N299 Y303 P307 E309 F310E295-Y297 VanDerWaalsContact C-N 3.31Å; E295-Y297 PolarHBondContact O-N 3.44Å; Y297-N299 PolarHBondContact O-N 3.37Å; Y297-Y303 AromaticContact CD2-CE2 3.69Å; Y297-Y303 HydrophobicContact CD2-CE2 3.69Å; Y297-Y303 HydrophobicContact CE2-CD2 4.22Å; Y297-Y303 AromaticContact CE2-CE2 3.42Å; Y297-Y303 HydrophobicContact CE2-CE2 3.42Å; Y297-Y303 VanDerWaalsContact CE2-CE2 3.42Å; Y297-Y303 AromaticContact CE2-CZ 3.69Å; Y297-P307 HydrophobicContact CE2-CG 4.48Å; Y297-E309 PolarHBondContact OH-OE1 3.12Å; Y297-F310 HydrophobicContact CD1-CE2 4.15Å; Y297-F310 HydrophobicContact CD1-CZ 4.3Å; Y297-F310 AromaticContact CE1-CE2 3.63Å; Y297-F310 HydrophobicContact CE1-CE2 3.63Å; Y297-F310 HydrophobicContact CE1-CZ 4.14Å; Y297-F310 AromaticContact CZ-CE2 3.9Å
298N84.2Confident91.8Very high117 Ų11764.1 Ų64.163%0.62635%0.345SS*.SBendtrans49.432.9-178.5-60.9-60.9000114.5E295E295-N298 PolarHBondContact O-N 2.85Å
299N86.7Confident91.5Very high97 Ų9767 Ų6752%0.51936%0.357SS..SBendtrans-118.815.4-177.666-1.1000112.2Y297 T301Y297-N299 PolarHBondContact O-N 3.37Å; N299-T301 PolarHBondContact ND2-OG1 3.02Å; N299-T301 PolarHBondContact O-N 3.2Å; N299-T301 WeakPolarHBondContact OD1-CB 3.16Å; N299-T301 PolarHBondContact OD1-N 3.38Å; N299-T301 PolarHBondContact OD1-OG1 3.34Å
300G85.9Confident91.4Very high53 Ų5369.1 Ų69.155%0.54637%0.366SS..SBendtrans77.7-4-175.600000115.1E295E295-G300 WeakPolarHBondContact OE2-CA 3.41Å; E295-G300 PolarHBondContact OE2-N 3.03Å; E295-G300 VanDerWaalsContact OE2-N 3.15Å
301T89.6Confident91.4Very high55 Ų5567.4 Ų67.434%0.33735%0.354SS..  trans-84.2132.9175.966.10000111N299N299-T301 PolarHBondContact ND2-OG1 3.02Å; N299-T301 PolarHBondContact O-N 3.2Å; N299-T301 WeakPolarHBondContact OD1-CB 3.16Å; N299-T301 PolarHBondContact OD1-N 3.38Å; N299-T301 PolarHBondContact OD1-OG1 3.34Å
302K92Very high91.3Very high79 Ų7962.8 Ų62.834%0.34333%0.331SS..  trans-116.8148.1174.7-60.8-173.2-177.5-178.70109.7T290 T292 E295T290-K302 HydrophobicContact CG2-CB 4.27Å; T290-K302 WeakPolarHBondContact O-CD 3.32Å; T292-K302 WeakPolarHBondContact O-CE 3.07Å; T292-K302 PolarHBondContact O-NZ 3.37Å; E295-K302 HydrophobicContact CG-CG 4.28Å
303Y93.1Very high91.4Very high97 Ų9763.3 Ų63.338%0.3833%0.333SS..  trans-119.1148.1-179.7-66.9-100.1000108.7W289 T290 P296 Y297 S305 P307W289-Y303 CarbonylContact C-O 3.09Å; W289-Y303 WeakPolarHBondContact CB-O 3.17Å; T290-Y303 VanDerWaalsContact CG2-C 3.48Å; T290-Y303 PolarHBondContact N-O 2.95Å; P296-Y303 HydrophobicContact CG-CD2 3.64Å; P296-Y303 HydrophobicContact CG-CE2 4.06Å; Y297-Y303 AromaticContact CD2-CE2 3.69Å; Y297-Y303 HydrophobicContact CD2-CE2 3.69Å; Y297-Y303 HydrophobicContact CE2-CD2 4.22Å; Y297-Y303 AromaticContact CE2-CE2 3.42Å; Y297-Y303 HydrophobicContact CE2-CE2 3.42Å; Y297-Y303 VanDerWaalsContact CE2-CE2 3.42Å; Y297-Y303 AromaticContact CE2-CZ 3.69Å; Y303-S305 VanDerWaalsContact C-N 3.28Å; Y303-S305 VanDerWaalsContact CB-O 3.27Å; Y303-S305 WeakPolarHBondContact CB-O 3.43Å; Y303-P307 HydrophobicContact CD2-CG 4.43Å; Y303-P307 HydrophobicContact CG-CG 4.26Å
304E93Very high91.7Very high126 Ų12656.7 Ų56.759%0.58930%0.298SS*.SBendtrans-70.2-30.1176.6-177.6170-167.200111.9W289 T290W289-E304 VanDerWaalsContact CD1-O 3.29Å; W289-E304 PolarHBondContact N-O 3.42Å; W289-E304 VanDerWaalsContact N-O 3.09Å; T290-E304 HydrophobicContact CG2-CB 4.31Å
305S94.6Very high92Very high68 Ų6855.9 Ų55.948%0.47630%0.295SS..SBendtrans-120148.7176.651.40000110.7Y72 Y303 P307Y72-S305 WeakPolarHBondContact OH-CA 3.15Å; Y72-S305 VanDerWaalsContact OH-CB 3.25Å; Y72-S305 WeakPolarHBondContact OH-CB 3Å; Y303-S305 VanDerWaalsContact C-N 3.28Å; Y303-S305 VanDerWaalsContact CB-O 3.27Å; Y303-S305 WeakPolarHBondContact CB-O 3.43Å; S305-P307 VanDerWaalsContact O-CD 3.29Å; S305-P307 WeakPolarHBondContact O-CD 3.5Å
306I95.8Very high92.2Very high2 Ų252.7 Ų52.71%0.0128%0.28CS..  trans-57.4118.2167-55.9168.1000108.6Y72 W289 W294 F310 Q311 T314 L317Y72-I306 HydrophobicContact CD2-CD1 4.23Å; Y72-I306 HydrophobicContact CE1-CB 3.81Å; Y72-I306 HydrophobicContact CE1-CD1 4.36Å; Y72-I306 HydrophobicContact CE1-CG1 4.48Å; Y72-I306 HydrophobicContact CE2-CB 4.35Å; Y72-I306 HydrophobicContact CE2-CD1 3.93Å; Y72-I306 HydrophobicContact CE2-CG1 4.21Å; Y72-I306 WeakPolarHBondContact OH-CA 3.32Å; Y72-I306 WeakPolarHBondContact OH-CB 3.32Å; Y72-I306 PolarHBondContact OH-N 2.78Å; Y72-I306 PolarHBondContact OH-O 3.19Å; W289-I306 HydrophobicContact CD2-CG1 3.98Å; W289-I306 HydrophobicContact CG-CG1 4.29Å; W289-I306 HydrophobicContact CH2-CD1 4.24Å; W289-I306 HydrophobicContact CZ2-CD1 3.57Å; W289-I306 HydrophobicContact CZ2-CG1 3.96Å; W294-I306 HydrophobicContact CH2-CB 4.22Å; W294-I306 HydrophobicContact CH2-CG1 4.2Å; W294-I306 HydrophobicContact CH2-CG2 3.85Å; W294-I306 HydrophobicContact CZ3-CB 4.31Å; W294-I306 HydrophobicContact CZ3-CG1 3.97Å; W294-I306 HydrophobicContact CZ3-CG2 4.43Å; I306-F310 HydrophobicContact CG2-CB 3.77Å; I306-F310 WeakPolarHBondContact CG2-O 3.19Å; I306-Q311 HydrophobicContact CG2-CG 4.25Å; I306-T314 HydrophobicContact CD1-CG2 4.39Å; I306-L317 HydrophobicContact CD1-CD1 3.98Å; I306-L317 HydrophobicContact CG1-CD1 4.12Å; I306-L317 HydrophobicContact CG2-CD1 4.26Å
307P94.8Very high92.5Very high17 Ų1752.2 Ų52.211%0.1128%0.277CS..  trans-60.8154.6174.7-20.933.1000112P296 Y297 Y303 S305 E309 F310 Q311P296-P307 HydrophobicContact CB-CG 4.46Å; P296-P307 HydrophobicContact CG-CG 4.34Å; Y297-P307 HydrophobicContact CE2-CG 4.48Å; Y303-P307 HydrophobicContact CD2-CG 4.43Å; Y303-P307 HydrophobicContact CG-CG 4.26Å; S305-P307 VanDerWaalsContact O-CD 3.29Å; S305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-E309 VanDerWaalsContact C-N 3.31Å; P307-E309 VanDerWaalsContact CB-OE2 3.24Å; P307-E309 WeakPolarHBondContact CB-OE2 3.38Å; P307-E309 PolarHBondContact O-N 3.04Å; P307-F310 HydrophobicContact CB-CD2 4.07Å; P307-F310 HydrophobicContact CG-CD2 4.13Å; P307-F310 PolarHBondContact O-N 3.39Å; P307-Q311 PolarHBondContact O-N 3.43Å
308T91.9Very high92.9Very high104 Ų10448.1 Ų48.164%0.63826%0.261SS*.G310 helixtrans-54.5-43.5-169.8-550000113.3F310 Q311T308-F310 PolarHBondContact O-N 3.04Å; T308-Q311 WeakPolarHBondContact O-CB 3.22Å; T308-Q311 WeakPolarHBondContact O-CG 3.46Å; T308-Q311 PolarHBondContact O-N 3.18Å
309E90.5Very high93.3Very high95 Ų9542.5 Ų42.544%0.44423%0.231SC..G310 helixtrans-64.8-19.717960.4-94-119.100114.1Y297 P307Y297-E309 PolarHBondContact OH-OE1 3.12Å; P307-E309 VanDerWaalsContact C-N 3.31Å; P307-E309 VanDerWaalsContact CB-OE2 3.24Å; P307-E309 WeakPolarHBondContact CB-OE2 3.38Å; P307-E309 PolarHBondContact O-N 3.04Å
310F93.5Very high93.6Very high46 Ų4639 Ų3920%0.20221%0.212CC..G310 helixtrans-104.11.9179-62.7-70.3000112.8W294 P296 Y297 I306 P307 T308 K312 L313W294-F310 HydrophobicContact CH2-CB 4.15Å; W294-F310 HydrophobicContact CZ2-CB 4.09Å; W294-F310 HydrophobicContact CZ2-CG 4.21Å; P296-F310 HydrophobicContact CB-CD2 3.73Å; P296-F310 HydrophobicContact CB-CE2 3.55Å; P296-F310 HydrophobicContact CB-CG 4.46Å; P296-F310 HydrophobicContact CB-CZ 4.12Å; P296-F310 WeakPolarHBondContact O-CZ 3.43Å; Y297-F310 HydrophobicContact CD1-CE2 4.15Å; Y297-F310 HydrophobicContact CD1-CZ 4.3Å; Y297-F310 AromaticContact CE1-CE2 3.63Å; Y297-F310 HydrophobicContact CE1-CE2 3.63Å; Y297-F310 HydrophobicContact CE1-CZ 4.14Å; Y297-F310 AromaticContact CZ-CE2 3.9Å; I306-F310 HydrophobicContact CG2-CB 3.77Å; I306-F310 WeakPolarHBondContact CG2-O 3.19Å; P307-F310 HydrophobicContact CB-CD2 4.07Å; P307-F310 HydrophobicContact CG-CD2 4.13Å; P307-F310 PolarHBondContact O-N 3.39Å; T308-F310 PolarHBondContact O-N 3.04Å; F310-K312 PolarHBondContact O-N 3.46Å; F310-L313 HydrophobicContact CB-CD1 4.44Å; F310-L313 HydrophobicContact CD1-CD1 3.84Å; F310-L313 WeakPolarHBondContact O-CA 3.34Å; F310-L313 VanDerWaalsContact O-CB 3.24Å; F310-L313 WeakPolarHBondContact O-CB 3.42Å; F310-L313 PolarHBondContact O-N 3.19Å
311Q94.9Very high93.9Very high21 Ų2139.1 Ų39.110%0.09820%0.197CC..G310 helixtrans-63.7-28.8-176.9-69.9-177.8600113E69 Y72 N73 I306 P307 T308 L313 T314E69-Q311 HydrophobicContact CG-CB 4.49Å; Y72-Q311 HydrophobicContact CD1-CB 4.5Å; Y72-Q311 HydrophobicContact CD1-CG 3.9Å; Y72-Q311 HydrophobicContact CE1-CG 3.77Å; N73-Q311 VanDerWaalsContact CG-OE1 3.31Å; N73-Q311 PolarHBondContact ND2-OE1 3.45Å; I306-Q311 HydrophobicContact CG2-CG 4.25Å; P307-Q311 PolarHBondContact O-N 3.43Å; T308-Q311 WeakPolarHBondContact O-CB 3.22Å; T308-Q311 WeakPolarHBondContact O-CG 3.46Å; T308-Q311 PolarHBondContact O-N 3.18Å; Q311-L313 PolarHBondContact O-N 3Å; Q311-L313 VanDerWaalsContact O-N 3.09Å; Q311-T314 VanDerWaalsContact O-CB 3.28Å; Q311-T314 WeakPolarHBondContact O-CB 3.42Å; Q311-T314 PolarHBondContact O-N 3.37Å; Q311-T314 PolarHBondContact O-OG1 2.8Å
312K94.6Very high94.2Very high15 Ų1536.7 Ų36.77%0.06518%0.181CC..G310 helixtrans-59-21170.768.3176.8172.7-172.70113.5D155 F310 D395 I397D155-K312 WeakPolarHBondContact OD2-CE 3.17Å; D155-K312 IonicContact OD2-NZ 3.27Å; D155-K312 PolarHBondContact OD2-NZ 2.81Å; F310-K312 PolarHBondContact O-N 3.46Å; K312-D395 IonicContact NZ-OD1 2.63Å; K312-I397 HydrophobicContact CB-CD1 3.83Å; K312-I397 HydrophobicContact CB-CG1 4.14Å; K312-I397 WeakPolarHBondContact O-CD1 3.41Å
313L95Very high94.4Very high16 Ų1633.7 Ų33.78%0.08417%0.169CC..G310 helixtrans-87.90.9176.7-49-176000113.5A145 V149 F310 Q311 L315 P316 L317A145-L313 HydrophobicContact CB-CD2 3.5Å; V149-L313 HydrophobicContact CG2-CB 4.33Å; V149-L313 HydrophobicContact CG2-CD1 4.3Å; V149-L313 HydrophobicContact CG2-CD2 4.39Å; F310-L313 HydrophobicContact CB-CD1 4.44Å; F310-L313 HydrophobicContact CD1-CD1 3.84Å; F310-L313 WeakPolarHBondContact O-CA 3.34Å; F310-L313 VanDerWaalsContact O-CB 3.24Å; F310-L313 WeakPolarHBondContact O-CB 3.42Å; F310-L313 PolarHBondContact O-N 3.19Å; Q311-L313 PolarHBondContact O-N 3Å; Q311-L313 VanDerWaalsContact O-N 3.09Å; L313-L315 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 2.69Å; L313-P316 HydrophobicContact CB-CG 4.36Å; L313-P316 WeakPolarHBondContact O-CD 3.33Å; L313-P316 VanDerWaalsContact O-CG 3.23Å; L313-P316 WeakPolarHBondContact O-CG 3.41Å; L313-L317 HydrophobicContact CB-CD1 3.94Å; L313-L317 HydrophobicContact CB-CG 3.9Å; L313-L317 WeakPolarHBondContact O-CB 3.43Å; L313-L317 WeakPolarHBondContact O-CG 3.15Å; L313-L317 PolarHBondContact O-N 2.84Å
314T96.8Very high94.3Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-45.9-54.6-175.2-65.80000113A68 Y72 A284 I306 Q311 L317 V318A68-T314 HydrophobicContact CB-CG2 4.37Å; Y72-T314 HydrophobicContact CD2-CG2 4.39Å; Y72-T314 HydrophobicContact CG-CG2 4.07Å; A284-T314 HydrophobicContact CB-CG2 3.44Å; A284-T314 VanDerWaalsContact CB-CG2 3.44Å; I306-T314 HydrophobicContact CD1-CG2 4.39Å; Q311-T314 VanDerWaalsContact O-CB 3.28Å; Q311-T314 WeakPolarHBondContact O-CB 3.42Å; Q311-T314 PolarHBondContact O-N 3.37Å; Q311-T314 PolarHBondContact O-OG1 2.8Å; T314-L317 PolarHBondContact O-N 3.44Å; T314-V318 PolarHBondContact O-N 3.23Å
315L96.5Very high94Very high1 Ų130 Ų301%0.00517%0.168CC..Hα-helixtrans-63.3-54.7-179-174.9136.2000112.6I64 A68 I280 L313 L317 V318 L319 V335I64-L315 HydrophobicContact CG2-CD1 3.41Å; I64-L315 VanDerWaalsContact CG2-CD1 3.41Å; I64-L315 HydrophobicContact CG2-CD2 4.23Å; I64-L315 HydrophobicContact CG2-CG 4.48Å; A68-L315 HydrophobicContact CB-CB 3.83Å; A68-L315 HydrophobicContact CB-CD1 3.89Å; A68-L315 HydrophobicContact CB-CG 4.43Å; I280-L315 HydrophobicContact CD1-CD1 4.35Å; I280-L315 HydrophobicContact CG2-CB 4.34Å; I280-L315 HydrophobicContact CG2-CD1 4.13Å; I280-L315 HydrophobicContact CG2-CG 4.01Å; L313-L315 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 2.69Å; L315-L317 VanDerWaalsContact C-N 3.26Å; L315-L317 PolarHBondContact O-N 3.48Å; L315-V318 PolarHBondContact O-N 2.68Å; L315-L319 HydrophobicContact CD2-CD1 3.64Å; L315-L319 HydrophobicContact CD2-CG 4.34Å; L315-L319 HydrophobicContact CG-CD1 4.42Å; L315-L319 WeakPolarHBondContact O-CG 3.23Å; L315-L319 PolarHBondContact O-N 3.11Å; L315-L319 VanDerWaalsContact O-N 3.13Å; L315-V335 HydrophobicContact CD2-CB 4.42Å; L315-V335 HydrophobicContact CD2-CG1 3.98Å; L315-V335 HydrophobicContact CD2-CG2 3.66Å
316P94.7Very high93.7Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-63.7-29.218021.3-31.3000113.8A145 V149 L313 L319 D320 L332A145-P316 HydrophobicContact CB-CG 4.49Å; V149-P316 HydrophobicContact CB-CB 3.96Å; V149-P316 HydrophobicContact CG1-CB 4.28Å; V149-P316 HydrophobicContact CG2-CB 3.85Å; V149-P316 HydrophobicContact CG2-CG 4.03Å; L313-P316 HydrophobicContact CB-CG 4.36Å; L313-P316 WeakPolarHBondContact O-CD 3.33Å; L313-P316 VanDerWaalsContact O-CG 3.23Å; L313-P316 WeakPolarHBondContact O-CG 3.41Å; P316-L319 PolarHBondContact O-N 3.21Å; P316-D320 WeakPolarHBondContact O-CB 3.5Å; P316-D320 PolarHBondContact O-N 3.26Å; P316-L332 HydrophobicContact CB-CD2 3.62Å
317L95.2Very high93.4Very high1 Ų133.4 Ų33.41%0.00517%0.171CC..Hα-helixtrans-64.1-42.9173.9-70.4175.7000112.4V149 W289 W294 I306 L313 T314 L315 L319 D320 Y321V149-L317 HydrophobicContact CG2-CD2 4.2Å; W289-L317 HydrophobicContact CH2-CB 3.56Å; W289-L317 HydrophobicContact CZ3-CB 3.76Å; W294-L317 HydrophobicContact CD2-CD1 4.19Å; W294-L317 HydrophobicContact CD2-CD2 3.99Å; W294-L317 HydrophobicContact CE3-CD1 4.39Å; W294-L317 HydrophobicContact CG-CD2 4Å; W294-L317 HydrophobicContact CH2-CD1 3.78Å; W294-L317 HydrophobicContact CZ2-CD1 3.54Å; W294-L317 HydrophobicContact CZ2-CD2 4.15Å; W294-L317 HydrophobicContact CZ3-CD1 4.21Å; W294-L317 VanDerWaalsContact NE1-CD2 3.32Å; I306-L317 HydrophobicContact CD1-CD1 3.98Å; I306-L317 HydrophobicContact CG1-CD1 4.12Å; I306-L317 HydrophobicContact CG2-CD1 4.26Å; L313-L317 HydrophobicContact CB-CD1 3.94Å; L313-L317 HydrophobicContact CB-CG 3.9Å; L313-L317 WeakPolarHBondContact O-CB 3.43Å; L313-L317 WeakPolarHBondContact O-CG 3.15Å; L313-L317 PolarHBondContact O-N 2.84Å; T314-L317 PolarHBondContact O-N 3.44Å; L315-L317 VanDerWaalsContact C-N 3.26Å; L315-L317 PolarHBondContact O-N 3.48Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 2.64Å; L317-D320 PolarHBondContact O-N 3.03Å; L317-Y321 HydrophobicContact CD2-CD2 3.9Å; L317-Y321 HydrophobicContact CD2-CE2 3.75Å; L317-Y321 WeakPolarHBondContact O-CB 3.45Å; L317-Y321 PolarHBondContact O-N 3.13Å
318V96.7Very high93.1Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-61.9-42.2174.2169.10000110.9A200 I280 V283 A284 W289 T314 L315 D320 L322 N323A200-V318 HydrophobicContact CB-CG1 3.87Å; I280-V318 HydrophobicContact CG1-CG1 4.48Å; I280-V318 HydrophobicContact CG2-CB 3.87Å; I280-V318 HydrophobicContact CG2-CG1 3.88Å; I280-V318 HydrophobicContact CG2-CG2 4.12Å; V283-V318 HydrophobicContact CG1-CG1 4.17Å; A284-V318 HydrophobicContact CB-CG2 3.56Å; W289-V318 HydrophobicContact CH2-CG2 4.16Å; W289-V318 HydrophobicContact CZ2-CG2 4.27Å; T314-V318 PolarHBondContact O-N 3.23Å; L315-V318 PolarHBondContact O-N 2.68Å; V318-D320 VanDerWaalsContact C-N 3.34Å; V318-D320 PolarHBondContact O-N 2.91Å; V318-L322 HydrophobicContact CB-CD1 4.36Å; V318-L322 HydrophobicContact CG1-CD1 4.14Å; V318-L322 HydrophobicContact CG2-CD1 4.09Å; V318-L322 WeakPolarHBondContact O-CB 3.48Å; V318-L322 PolarHBondContact O-N 3.21Å; V318-N323 PolarHBondContact O-ND2 3.23Å
319L94.3Very high92.7Very high0 Ų030.9 Ų30.90%015%0.15CC..Hα-helixtrans-67.5-32.1-179.9-62.7-177.8000113L193 C196 I280 L315 P316 L317 N323 T328 L332 V335L193-L319 HydrophobicContact CD2-CD1 4.31Å; L193-L319 HydrophobicContact CD2-CD2 4.5Å; C196-L319 HydrophobicContact CB-CD2 3.49Å; C196-L319 VanDerWaalsContact CB-CD2 3.49Å; I280-L319 HydrophobicContact CD1-CD2 4.18Å; L315-L319 HydrophobicContact CD2-CD1 3.64Å; L315-L319 HydrophobicContact CD2-CG 4.34Å; L315-L319 HydrophobicContact CG-CD1 4.42Å; L315-L319 WeakPolarHBondContact O-CG 3.23Å; L315-L319 PolarHBondContact O-N 3.11Å; L315-L319 VanDerWaalsContact O-N 3.13Å; P316-L319 PolarHBondContact O-N 3.21Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 2.64Å; L319-N323 WeakPolarHBondContact O-CB 3.49Å; L319-T328 WeakPolarHBondContact O-CA 3.39Å; L319-T328 VanDerWaalsContact O-CB 3.28Å; L319-T328 WeakPolarHBondContact O-CB 3.19Å; L319-T328 WeakPolarHBondContact O-CG2 3.49Å; L319-T328 PolarHBondContact O-OG1 3.28Å; L319-L332 HydrophobicContact CB-CD1 4.43Å; L319-L332 HydrophobicContact CB-CD2 3.97Å; L319-L332 HydrophobicContact CB-CG 3.89Å; L319-L332 HydrophobicContact CD1-CD2 3.83Å; L319-L332 HydrophobicContact CD1-CG 4.12Å; L319-V335 HydrophobicContact CD1-CG2 3.86Å
320D92.2Very high92.6Very high24 Ų2428.7 Ų28.713%0.12814%0.14CC..Hα-helixtrans-88.1-47.8-179.5-16746.9000112.8V149 P316 L317 V318 T328 L332V149-D320 HydrophobicContact CG1-CB 3.59Å; P316-D320 WeakPolarHBondContact O-CB 3.5Å; P316-D320 PolarHBondContact O-N 3.26Å; L317-D320 PolarHBondContact O-N 3.03Å; V318-D320 VanDerWaalsContact C-N 3.34Å; V318-D320 PolarHBondContact O-N 2.91Å; D320-T328 HydrophobicContact CB-CG2 4.21Å; D320-T328 WeakPolarHBondContact OD1-CG2 3.46Å; D320-L332 HydrophobicContact CB-CD1 4.31Å
321Y93Very high92.4Very high55 Ų5526.5 Ų26.522%0.21613%0.131CC..Hα-helixtrans-94-17.1-168.1-69.5-83.6000114.8N293 W294 L317N293-Y321 HydrophobicContact CB-CD1 4.48Å; N293-Y321 HydrophobicContact CB-CE1 4.45Å; W294-Y321 HydrophobicContact CB-CD1 3.79Å; W294-Y321 HydrophobicContact CB-CD2 4Å; W294-Y321 HydrophobicContact CB-CE1 3.72Å; W294-Y321 HydrophobicContact CB-CE2 3.96Å; W294-Y321 HydrophobicContact CB-CG 3.93Å; W294-Y321 AromaticContact CD1-CE2 3.51Å; W294-Y321 AromaticContact CD1-CZ 3.6Å; W294-Y321 HydrophobicContact CG-CD2 4.23Å; W294-Y321 HydrophobicContact CG-CE1 4.45Å; W294-Y321 AromaticContact CG-CE2 3.94Å; W294-Y321 HydrophobicContact CG-CE2 3.94Å; L317-Y321 HydrophobicContact CD2-CD2 3.9Å; L317-Y321 HydrophobicContact CD2-CE2 3.75Å; L317-Y321 WeakPolarHBondContact O-CB 3.45Å; L317-Y321 PolarHBondContact O-N 3.13Å
322L96.1Very high92.1Very high3 Ų325.7 Ų25.72%0.01613%0.127CC..SBendtrans-108.84.4-177.9-53.1-179.2000113.5S199 A200 N203 A205 V283 T287 T292 V318S199-L322 CarbonylContact C-O 3.39Å; A200-L322 HydrophobicContact CB-CB 4.12Å; N203-L322 HydrophobicContact CB-CB 4.34Å; N203-L322 HydrophobicContact CB-CD2 4.39Å; N203-L322 WeakPolarHBondContact ND2-CA 3.37Å; N203-L322 PolarHBondContact ND2-O 2.96Å; A205-L322 HydrophobicContact CB-CD2 4.27Å; V283-L322 HydrophobicContact CG1-CD1 3.78Å; T287-L322 HydrophobicContact CG2-CD1 4.1Å; T287-L322 HydrophobicContact CG2-CD2 3.95Å; T287-L322 VanDerWaalsContact OG1-CD1 3.29Å; T287-L322 WeakPolarHBondContact OG1-CD1 3.43Å; T292-L322 HydrophobicContact CG2-CD2 3.84Å; V318-L322 HydrophobicContact CB-CD1 4.36Å; V318-L322 HydrophobicContact CG1-CD1 4.14Å; V318-L322 HydrophobicContact CG2-CD1 4.09Å; V318-L322 WeakPolarHBondContact O-CB 3.48Å; V318-L322 PolarHBondContact O-N 3.21Å
323N94.8Very high91.6Very high17 Ų1725 Ų259%0.09113%0.125CC..SBendtrans-127.4154.8-173.3-80.7-80.6000112.1C196 S199 V318 L319 A327C196-N323 VanDerWaalsContact CA-OD1 3.25Å; C196-N323 WeakPolarHBondContact CA-OD1 3.48Å; C196-N323 PolarHBondContact O-OD1 2.76Å; S199-N323 WeakPolarHBondContact CB-OD1 2.92Å; V318-N323 PolarHBondContact O-ND2 3.23Å; L319-N323 WeakPolarHBondContact O-CB 3.49Å; N323-A327 HydrophobicContact CB-CB 4.21Å
324P91.3Very high91.2Very high39 Ų3924.2 Ų24.225%0.25312%0.121SC..  trans-67.7153170.729.6-35.1000110.7W326 A327 T328P324-W326 HydrophobicContact CG-CD2 4.49Å; P324-W326 HydrophobicContact CG-CZ2 4Å; P324-W326 PolarHBondContact O-N 3.3Å; P324-A327 HydrophobicContact CG-CB 3.84Å; P324-A327 PolarHBondContact O-N 3.44Å; P324-T328 PolarHBondContact O-N 3.07Å; P324-T328 VanDerWaalsContact O-N 3.09Å; P324-T328 PolarHBondContact O-OG1 2.98Å
325P87.6Confident90.8Very high106 Ų10624.2 Ų24.269%0.68812%0.121SC*.Hα-helixtrans-54.1-33.7-172.6-29.635000115.5F329P325-F329 WeakPolarHBondContact O-CB 2.96Å; P325-F329 PolarHBondContact O-N 3.3Å
326W87Confident90.3Very high142 Ų14224.2 Ų24.254%0.53812%0.121SC..Hα-helixtrans-71.1-34.7178.268.4-97.1000112.5P324 F329 I330P324-W326 HydrophobicContact CG-CD2 4.49Å; P324-W326 HydrophobicContact CG-CZ2 4Å; P324-W326 PolarHBondContact O-N 3.3Å; W326-F329 WeakPolarHBondContact O-CB 3.24Å; W326-I330 HydrophobicContact CE3-CD1 4.12Å; W326-I330 HydrophobicContact CZ3-CD1 4.39Å; W326-I330 WeakPolarHBondContact O-CG1 3.27Å; W326-I330 PolarHBondContact O-N 2.98Å
327A90.4Very high89.7Confident0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-74.2-43.7178.300000109.6C196 N323 P324 F329 I330 G331C196-A327 PolarHBondContact SG-O 3.33Å; C196-A327 VanDerWaalsContact SG-O 3.33Å; N323-A327 HydrophobicContact CB-CB 4.21Å; P324-A327 HydrophobicContact CG-CB 3.84Å; P324-A327 PolarHBondContact O-N 3.44Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 3.42Å; A327-I330 PolarHBondContact O-N 3.34Å; A327-I330 VanDerWaalsContact O-N 3.14Å; A327-G331 PolarHBondContact O-N 2.98Å
328T89.2Confident89.1Confident8 Ų824.2 Ų24.25%0.04912%0.121CC..Hα-helixtrans-50-48.6169.8-56.90000112L319 D320 P324 I330 G331 L332L319-T328 WeakPolarHBondContact O-CA 3.39Å; L319-T328 VanDerWaalsContact O-CB 3.28Å; L319-T328 WeakPolarHBondContact O-CB 3.19Å; L319-T328 WeakPolarHBondContact O-CG2 3.49Å; L319-T328 PolarHBondContact O-OG1 3.28Å; D320-T328 HydrophobicContact CB-CG2 4.21Å; D320-T328 WeakPolarHBondContact OD1-CG2 3.46Å; P324-T328 PolarHBondContact O-N 3.07Å; P324-T328 VanDerWaalsContact O-N 3.09Å; P324-T328 PolarHBondContact O-OG1 2.98Å; T328-I330 PolarHBondContact O-N 3.08Å; T328-G331 PolarHBondContact O-N 3.39Å; T328-L332 HydrophobicContact CG2-CD1 3.49Å; T328-L332 VanDerWaalsContact CG2-CD1 3.49Å; T328-L332 HydrophobicContact CG2-CG 4.41Å; T328-L332 VanDerWaalsContact O-CB 3.31Å; T328-L332 WeakPolarHBondContact O-CB 3.15Å; T328-L332 PolarHBondContact O-N 3.17Å
329F83.7Confident88.7Confident59 Ų5924.2 Ų24.226%0.25912%0.121SC..Hα-helixtrans-55.4-49.4177.6171.9-80.2000112.1V6 A10 F14 P325 W326 A327 G333V6-F329 HydrophobicContact CG1-CD2 3.97Å; A10-F329 HydrophobicContact CB-CD1 4.29Å; A10-F329 HydrophobicContact CB-CD2 3.13Å; A10-F329 HydrophobicContact CB-CE1 4.18Å; A10-F329 HydrophobicContact CB-CE2 3Å; A10-F329 HydrophobicContact CB-CG 3.8Å; A10-F329 HydrophobicContact CB-CZ 3.55Å; F14-F329 HydrophobicContact CE2-CE1 4.34Å; P325-F329 WeakPolarHBondContact O-CB 2.96Å; P325-F329 PolarHBondContact O-N 3.3Å; W326-F329 WeakPolarHBondContact O-CB 3.24Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 3.42Å; F329-G333 PolarHBondContact O-N 3.15Å; F329-G333 VanDerWaalsContact O-N 3.16Å
330I86.4Confident88.3Confident49 Ų4924.5 Ų24.525%0.25112%0.122SC..Hα-helixtrans-71.8-45.7-177.8-59.7173.9000110.3L195 W326 A327 T328 A334L195-I330 HydrophobicContact CD1-CD1 4.04Å; L195-I330 HydrophobicContact CD1-CG2 4.19Å; W326-I330 HydrophobicContact CE3-CD1 4.12Å; W326-I330 HydrophobicContact CZ3-CD1 4.39Å; W326-I330 WeakPolarHBondContact O-CG1 3.27Å; W326-I330 PolarHBondContact O-N 2.98Å; A327-I330 PolarHBondContact O-N 3.34Å; A327-I330 VanDerWaalsContact O-N 3.14Å; T328-I330 PolarHBondContact O-N 3.08Å; I330-A334 WeakPolarHBondContact O-CB 3.02Å; I330-A334 PolarHBondContact O-N 2.95Å
331G90.1Very high88Confident0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-61.4-52-177.800000112.4A327 T328 A334 V335A327-G331 PolarHBondContact O-N 2.98Å; T328-G331 PolarHBondContact O-N 3.39Å; G331-A334 PolarHBondContact O-N 2.81Å; G331-V335 VanDerWaalsContact O-CG2 3.26Å; G331-V335 WeakPolarHBondContact O-CG2 3.3Å; G331-V335 PolarHBondContact O-N 2.97Å
332L88.2Confident88Confident4 Ų420.7 Ų20.72%0.02111%0.106CC..Hα-helixtrans-70-37.1-178.9-73169.7000112.5I150 P316 L319 D320 T328 A334 V335 S336I150-L332 HydrophobicContact CD1-CB 3.6Å; I150-L332 HydrophobicContact CD1-CD1 4.29Å; I150-L332 HydrophobicContact CD1-CD2 4.42Å; I150-L332 HydrophobicContact CD1-CG 4.3Å; I150-L332 HydrophobicContact CG1-CB 3.72Å; I150-L332 HydrophobicContact CG1-CD1 3.41Å; I150-L332 VanDerWaalsContact CG1-CD1 3.41Å; I150-L332 HydrophobicContact CG1-CD2 4.16Å; I150-L332 HydrophobicContact CG1-CG 3.94Å; P316-L332 HydrophobicContact CB-CD2 3.62Å; L319-L332 HydrophobicContact CB-CD1 4.43Å; L319-L332 HydrophobicContact CB-CD2 3.97Å; L319-L332 HydrophobicContact CB-CG 3.89Å; L319-L332 HydrophobicContact CD1-CD2 3.83Å; L319-L332 HydrophobicContact CD1-CG 4.12Å; D320-L332 HydrophobicContact CB-CD1 4.31Å; T328-L332 HydrophobicContact CG2-CD1 3.49Å; T328-L332 VanDerWaalsContact CG2-CD1 3.49Å; T328-L332 HydrophobicContact CG2-CG 4.41Å; T328-L332 VanDerWaalsContact O-CB 3.31Å; T328-L332 WeakPolarHBondContact O-CB 3.15Å; T328-L332 PolarHBondContact O-N 3.17Å; L332-A334 VanDerWaalsContact C-N 3.32Å; L332-V335 PolarHBondContact O-N 3.4Å; L332-S336 WeakPolarHBondContact O-CB 3.25Å; L332-S336 PolarHBondContact O-N 2.82Å; L332-S336 PolarHBondContact O-OG 2.87Å
333G84.7Confident87.8Confident1 Ų120.6 Ų20.61%0.0111%0.105CC..Hα-helixtrans-60.6-42.8171.600000111.9F329 S336 A337F329-G333 PolarHBondContact O-N 3.15Å; F329-G333 VanDerWaalsContact O-N 3.16Å; G333-S336 PolarHBondContact O-N 2.91Å; G333-A337 WeakPolarHBondContact O-CB 3.45Å; G333-A337 PolarHBondContact O-N 3Å
334A85.6Confident87.6Confident0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-68.2-41.2178.400000113.2C188 I189 I330 G331 L332 S336 A337 A338C188-A334 HydrophobicContact CB-CB 4.31Å; C188-A334 VanDerWaalsContact O-CB 3.22Å; C188-A334 WeakPolarHBondContact O-CB 3.42Å; I189-A334 VanDerWaalsContact CG1-O 3.26Å; I189-A334 WeakPolarHBondContact CG1-O 3.44Å; I330-A334 WeakPolarHBondContact O-CB 3.02Å; I330-A334 PolarHBondContact O-N 2.95Å; G331-A334 PolarHBondContact O-N 2.81Å; L332-A334 VanDerWaalsContact C-N 3.32Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-A337 WeakPolarHBondContact O-CA 3.45Å; A334-A337 VanDerWaalsContact O-CB 3.31Å; A334-A337 WeakPolarHBondContact O-CB 3.3Å; A334-A337 PolarHBondContact O-N 3.21Å; A334-A337 VanDerWaalsContact O-N 3.15Å; A334-A338 PolarHBondContact O-N 3.41Å
335V89.1Confident87.7Confident0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-63.9-41.4173.9173.50000111.1I64 N65 S146 L193 L315 L319 G331 L332 A337 A338 T339I64-V335 HydrophobicContact CG2-CG2 4.34Å; N65-V335 WeakPolarHBondContact OD1-CG1 3.09Å; S146-V335 WeakPolarHBondContact OG-CG1 3.35Å; L193-V335 HydrophobicContact CD2-CG2 3.61Å; L315-V335 HydrophobicContact CD2-CB 4.42Å; L315-V335 HydrophobicContact CD2-CG1 3.98Å; L315-V335 HydrophobicContact CD2-CG2 3.66Å; L319-V335 HydrophobicContact CD1-CG2 3.86Å; G331-V335 VanDerWaalsContact O-CG2 3.26Å; G331-V335 WeakPolarHBondContact O-CG2 3.3Å; G331-V335 PolarHBondContact O-N 2.97Å; L332-V335 PolarHBondContact O-N 3.4Å; V335-A337 PolarHBondContact O-N 3.28Å; V335-A338 WeakPolarHBondContact O-CB 3.31Å; V335-A338 PolarHBondContact O-N 3.19Å; V335-A338 VanDerWaalsContact O-N 3.16Å; V335-T339 HydrophobicContact CG1-CG2 4.3Å; V335-T339 VanDerWaalsContact O-CG2 3.25Å; V335-T339 WeakPolarHBondContact O-CG2 3.44Å; V335-T339 PolarHBondContact O-N 3.11Å; V335-T339 PolarHBondContact O-OG1 2.99Å
336S86.9Confident88Confident1 Ų112.9 Ų12.91%0.0076%0.056CC..Hα-helixtrans-61.7-34.8174.2-56.90000111.4L332 G333 A334 T339 M340L332-S336 WeakPolarHBondContact O-CB 3.25Å; L332-S336 PolarHBondContact O-N 2.82Å; L332-S336 PolarHBondContact O-OG 2.87Å; G333-S336 PolarHBondContact O-N 2.91Å; A334-S336 VanDerWaalsContact C-N 3.34Å; S336-T339 WeakPolarHBondContact CA-OG1 3.24Å; S336-T339 PolarHBondContact O-OG1 3.3Å; S336-M340 WeakPolarHBondContact O-CB 3.31Å; S336-M340 PolarHBondContact O-N 3.47Å
337A80.6Confident88.4Confident1 Ų16.1 Ų6.11%0.0083%0.03CC..Hα-helixtrans-69.5-40.6174.400000112.1I18 Q185 G333 A334 V335 M340 S341I18-A337 HydrophobicContact CD1-CB 3.91Å; Q185-A337 HydrophobicContact CB-CB 4.39Å; Q185-A337 VanDerWaalsContact CD-O 3.31Å; Q185-A337 HydrophobicContact CG-CB 3.98Å; Q185-A337 PolarHBondContact NE2-O 3.21Å; G333-A337 WeakPolarHBondContact O-CB 3.45Å; G333-A337 PolarHBondContact O-N 3Å; A334-A337 WeakPolarHBondContact O-CA 3.45Å; A334-A337 VanDerWaalsContact O-CB 3.31Å; A334-A337 WeakPolarHBondContact O-CB 3.3Å; A334-A337 PolarHBondContact O-N 3.21Å; A334-A337 VanDerWaalsContact O-N 3.15Å; V335-A337 PolarHBondContact O-N 3.28Å; A337-M340 PolarHBondContact O-N 3.23Å; A337-S341 PolarHBondContact O-N 3.38Å
338A84.1Confident88.5Confident0 Ų06.1 Ų6.10%03%0.03CC..Hα-helixtrans-59.4-53.4175.700000113.6I64 I189 A334 V335 M340 S341 S342I64-A338 HydrophobicContact CD1-CB 3.51Å; I189-A338 HydrophobicContact CD1-CB 3.11Å; I189-A338 HydrophobicContact CG1-CB 3.53Å; A334-A338 PolarHBondContact O-N 3.41Å; V335-A338 WeakPolarHBondContact O-CB 3.31Å; V335-A338 PolarHBondContact O-N 3.19Å; V335-A338 VanDerWaalsContact O-N 3.16Å; A338-M340 PolarHBondContact O-N 2.88Å; A338-S341 WeakPolarHBondContact O-CB 3.47Å; A338-S341 PolarHBondContact O-N 2.86Å; A338-S341 VanDerWaalsContact O-N 3.11Å; A338-S342 PolarHBondContact O-N 3.45Å
339T87.9Confident88.8Confident0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-59.2-39.5-177.5510000109.3T139 A142 L143 V335 S336 S342 A343T139-T339 WeakPolarHBondContact CG2-O 3.1Å; A142-T339 HydrophobicContact CB-CG2 3.87Å; L143-T339 HydrophobicContact CB-CG2 4.33Å; L143-T339 WeakPolarHBondContact CB-OG1 3.22Å; L143-T339 WeakPolarHBondContact CD1-OG1 3.39Å; V335-T339 HydrophobicContact CG1-CG2 4.3Å; V335-T339 VanDerWaalsContact O-CG2 3.25Å; V335-T339 WeakPolarHBondContact O-CG2 3.44Å; V335-T339 PolarHBondContact O-N 3.11Å; V335-T339 PolarHBondContact O-OG1 2.99Å; S336-T339 WeakPolarHBondContact CA-OG1 3.24Å; S336-T339 PolarHBondContact O-OG1 3.3Å; T339-S342 PolarHBondContact O-N 3.19Å; T339-A343 WeakPolarHBondContact O-CB 3.34Å; T339-A343 PolarHBondContact O-N 3.41Å; T339-A343 VanDerWaalsContact O-N 3.09Å
340M84.8Confident89.4Confident5 Ų53 Ų33%0.0252%0.016CC..Hα-helixtrans-60.1-49.8175.3-151.6171.894.400112.1Y15 I18 V165 Y169 S336 A337 A338 S342 A343 D344Y15-M340 HydrophobicContact CD1-SD 4.11Å; Y15-M340 HydrophobicContact CE1-SD 4.02Å; I18-M340 HydrophobicContact CB-CE 4.03Å; I18-M340 HydrophobicContact CD1-CE 4.13Å; I18-M340 HydrophobicContact CG2-CE 3.35Å; V165-M340 HydrophobicContact CG1-SD 4.29Å; Y169-M340 HydrophobicContact CD1-CE 3.86Å; Y169-M340 HydrophobicContact CD1-CG 4.07Å; Y169-M340 HydrophobicContact CD1-SD 3.96Å; Y169-M340 HydrophobicContact CD2-CE 4.31Å; Y169-M340 HydrophobicContact CE1-CE 3.74Å; Y169-M340 HydrophobicContact CE1-CG 3.21Å; Y169-M340 HydrophobicContact CE1-SD 3.72Å; Y169-M340 HydrophobicContact CE2-CE 4.17Å; Y169-M340 HydrophobicContact CG-CE 4.16Å; Y169-M340 VanDerWaalsContact OH-C 3.27Å; Y169-M340 WeakPolarHBondContact OH-CG 3.5Å; Y169-M340 PolarHBondContact OH-O 3Å; S336-M340 WeakPolarHBondContact O-CB 3.31Å; S336-M340 PolarHBondContact O-N 3.47Å; A337-M340 PolarHBondContact O-N 3.23Å; A338-M340 PolarHBondContact O-N 2.88Å; M340-S342 PolarHBondContact O-N 3.22Å; M340-S342 VanDerWaalsContact O-N 3.11Å; M340-A343 PolarHBondContact O-N 2.98Å; M340-D344 PolarHBondContact O-N 3.36Å
341S87.1Confident89.9Confident0 Ų00.7 Ų0.70%00%0.004CC..Hα-helixtrans-55.2-28.6178.3-179.50000115.3D182 A337 A338 S345D182-S341 WeakPolarHBondContact OD1-CB 3.31Å; D182-S341 PolarHBondContact OD1-OG 3.49Å; A337-S341 PolarHBondContact O-N 3.38Å; A338-S341 WeakPolarHBondContact O-CB 3.47Å; A338-S341 PolarHBondContact O-N 2.86Å; A338-S341 VanDerWaalsContact O-N 3.11Å; S341-S345 WeakPolarHBondContact O-CB 3.18Å; S341-S345 PolarHBondContact O-OG 3.42Å
342S92.5Very high90.1Very high0 Ų00.7 Ų0.70%00%0.004CC..Hα-helixtrans-87.6-33.2174.5-62.20000112.3T57 G60 A338 T339 M340 S345 S346T57-S342 WeakPolarHBondContact O-CB 3.42Å; T57-S342 PolarHBondContact O-OG 3.46Å; G60-S342 WeakPolarHBondContact CA-OG 3.49Å; G60-S342 PolarHBondContact N-OG 3.41Å; A338-S342 PolarHBondContact O-N 3.45Å; T339-S342 PolarHBondContact O-N 3.19Å; M340-S342 PolarHBondContact O-N 3.22Å; M340-S342 VanDerWaalsContact O-N 3.11Å; S342-S345 PolarHBondContact O-N 3.19Å; S342-S346 WeakPolarHBondContact O-CB 3.34Å; S342-S346 PolarHBondContact O-N 3.17Å
343A92.4Very high90.4Very high0 Ų00.5 Ų0.50%00%0.003CC..Hα-helixtrans-65.5-47.3178.900000111.4T139 L140 A166 T339 M340 S345 I347T139-A343 HydrophobicContact CG2-CB 3.91Å; L140-A343 HydrophobicContact CD2-CB 4.21Å; A166-A343 HydrophobicContact CB-CB 4.28Å; T339-A343 WeakPolarHBondContact O-CB 3.34Å; T339-A343 PolarHBondContact O-N 3.41Å; T339-A343 VanDerWaalsContact O-N 3.09Å; M340-A343 PolarHBondContact O-N 2.98Å; A343-S345 VanDerWaalsContact C-N 3.25Å; A343-S345 PolarHBondContact O-N 3.16Å; A343-I347 WeakPolarHBondContact O-CB 3.4Å; A343-I347 WeakPolarHBondContact O-CD1 3.5Å; A343-I347 WeakPolarHBondContact O-CG1 3.35Å; A343-I347 PolarHBondContact O-N 2.94Å
344D89.7Confident91Very high0 Ų02.7 Ų2.70%01%0.013CC..Hα-helixtrans-57.3-43.9174.343.947.2000112.1Y169 T170 V178 M340 I347 L348Y169-D344 HydrophobicContact CE2-CB 3.49Å; Y169-D344 VanDerWaalsContact CE2-CB 3.49Å; Y169-D344 WeakPolarHBondContact CE2-OD2 3.3Å; Y169-D344 WeakPolarHBondContact OH-CB 3.28Å; Y169-D344 PolarHBondContact OH-N 3.42Å; Y169-D344 PolarHBondContact OH-OD2 2.84Å; T170-D344 HydrophobicContact CG2-CB 4.17Å; T170-D344 WeakPolarHBondContact OG1-CA 3.44Å; T170-D344 WeakPolarHBondContact OG1-CB 3.42Å; V178-D344 HydrophobicContact CG1-CB 4.43Å; V178-D344 WeakPolarHBondContact CG1-OD1 3.33Å; V178-D344 HydrophobicContact CG2-CB 3.86Å; M340-D344 PolarHBondContact O-N 3.36Å; D344-I347 PolarHBondContact O-N 2.67Å; D344-L348 WeakPolarHBondContact O-CB 3.3Å; D344-L348 PolarHBondContact O-N 3.15Å
345S93.2Very high91.5Very high0 Ų02.7 Ų2.70%01%0.013CC..Hα-helixtrans-70.5-44.5-166-73.70000108.5T57 V178 V245 R249 S341 S342 A343 S349T57-S345 VanDerWaalsContact CG2-CB 3.48Å; T57-S345 PolarHBondContact OG1-OG 3.46Å; V178-S345 WeakPolarHBondContact CG1-OG 3.13Å; V245-S345 WeakPolarHBondContact CG2-O 3.34Å; R249-S345 PolarHBondContact NH2-OG 3.45Å; S341-S345 WeakPolarHBondContact O-CB 3.18Å; S341-S345 PolarHBondContact O-OG 3.42Å; S342-S345 PolarHBondContact O-N 3.19Å; A343-S345 VanDerWaalsContact C-N 3.25Å; A343-S345 PolarHBondContact O-N 3.16Å; S345-S349 WeakPolarHBondContact O-CB 3.41Å; S345-S349 PolarHBondContact O-N 2.98Å
346S95.1Very high91.7Very high0 Ų04.1 Ų4.10%02%0.018CC..Hα-helixtrans-66.1-44.8175.3-174.30000112.4E132 S136 S342 S349 A350E132-S346 WeakPolarHBondContact CA-OG 3.13Å; E132-S346 PolarHBondContact O-OG 2.7Å; E132-S346 WeakPolarHBondContact OE2-CA 3.21Å; E132-S346 WeakPolarHBondContact OE2-CB 3.26Å; E132-S346 PolarHBondContact OE2-OG 3.4Å; S136-S346 WeakPolarHBondContact OG-CB 3.38Å; S136-S346 PolarHBondContact OG-OG 2.85Å; S342-S346 WeakPolarHBondContact O-CB 3.34Å; S342-S346 PolarHBondContact O-N 3.17Å; S346-S349 WeakPolarHBondContact O-CB 3.06Å; S346-S349 PolarHBondContact O-N 3Å; S346-A350 PolarHBondContact O-N 3.4Å
347I95.4Very high92.1Very high0 Ų04.1 Ų4.10%02%0.018CC..Hα-helixtrans-65.4-47178.8-66.6168.8000111.2V167 T170 A343 D344 S349 A350 A351 I380 V383V167-I347 HydrophobicContact CG2-CD1 4.47Å; T170-I347 HydrophobicContact CG2-CB 4.38Å; T170-I347 HydrophobicContact CG2-CG2 4.17Å; A343-I347 WeakPolarHBondContact O-CB 3.4Å; A343-I347 WeakPolarHBondContact O-CD1 3.5Å; A343-I347 WeakPolarHBondContact O-CG1 3.35Å; A343-I347 PolarHBondContact O-N 2.94Å; D344-I347 PolarHBondContact O-N 2.67Å; I347-S349 VanDerWaalsContact C-N 3.28Å; I347-S349 PolarHBondContact O-N 3.19Å; I347-A350 PolarHBondContact O-N 3.26Å; I347-A351 VanDerWaalsContact O-CB 3.3Å; I347-A351 WeakPolarHBondContact O-CB 3.15Å; I347-A351 PolarHBondContact O-N 2.8Å; I347-I380 HydrophobicContact CG2-CB 4.08Å; I347-I380 HydrophobicContact CG2-CG1 4.19Å; I347-I380 HydrophobicContact CG2-CG2 3.75Å; I347-V383 HydrophobicContact CB-CG1 4.45Å; I347-V383 HydrophobicContact CG1-CG1 4.18Å; I347-V383 HydrophobicContact CG2-CB 4.34Å; I347-V383 HydrophobicContact CG2-CG1 4.37Å
348L92.8Very high92.8Very high1 Ų15.1 Ų5.11%0.0052%0.023CC..Hα-helixtrans-63.2-37.3177.2179.961.7000111.2T170 L175 V178 D344 S352 M376 I380T170-L348 HydrophobicContact CG2-CB 4.06Å; L175-L348 HydrophobicContact CB-CD2 4.45Å; V178-L348 HydrophobicContact CG2-CD2 4.16Å; D344-L348 WeakPolarHBondContact O-CB 3.3Å; D344-L348 PolarHBondContact O-N 3.15Å; L348-S352 WeakPolarHBondContact O-CB 2.81Å; L348-S352 PolarHBondContact O-N 3.46Å; L348-S352 PolarHBondContact O-OG 3.09Å; L348-M376 HydrophobicContact CD1-CE 4.47Å; L348-M376 HydrophobicContact CD1-SD 4.09Å; L348-I380 HydrophobicContact CD1-CD1 4.23Å
349S94.3Very high93.4Very high0 Ų08.5 Ų8.50%04%0.035CC..Hα-helixtrans-62.2-52.3176165.90000112.1E132 Q244 V245 S345 S346 I347 A351 S352 M353E132-S349 PolarHBondContact OE1-OG 2.63Å; Q244-S349 WeakPolarHBondContact CB-OG 3.29Å; Q244-S349 WeakPolarHBondContact CG-OG 3.3Å; V245-S349 WeakPolarHBondContact CG2-OG 3.48Å; V245-S349 PolarHBondContact N-OG 2.94Å; V245-S349 VanDerWaalsContact N-OG 3.13Å; S345-S349 WeakPolarHBondContact O-CB 3.41Å; S345-S349 PolarHBondContact O-N 2.98Å; S346-S349 WeakPolarHBondContact O-CB 3.06Å; S346-S349 PolarHBondContact O-N 3Å; I347-S349 VanDerWaalsContact C-N 3.28Å; I347-S349 PolarHBondContact O-N 3.19Å; S349-A351 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 3.3Å; S349-S352 WeakPolarHBondContact O-CB 2.93Å; S349-S352 PolarHBondContact O-N 3.47Å; S349-M353 PolarHBondContact O-N 3.32Å
350A96.6Very high93.5Very high1 Ų110.6 Ų10.61%0.0085%0.045CC..Hα-helixtrans-58.7-45.817600000111.8L129 E132 S346 I347 S352 M353 F354 V383L129-A350 HydrophobicContact CD1-CB 4.02Å; E132-A350 HydrophobicContact CB-CB 3.8Å; E132-A350 HydrophobicContact CG-CB 4.01Å; S346-A350 PolarHBondContact O-N 3.4Å; I347-A350 PolarHBondContact O-N 3.26Å; A350-S352 VanDerWaalsContact C-N 3.33Å; A350-S352 PolarHBondContact O-N 3.4Å; A350-M353 PolarHBondContact O-N 2.97Å; A350-F354 PolarHBondContact O-N 2.98Å; A350-V383 HydrophobicContact CB-CB 4.42Å; A350-V383 HydrophobicContact CB-CG1 3.89Å; A350-V383 HydrophobicContact CB-CG2 3.76Å
351A96Very high93.7Very high0 Ų010.9 Ų10.90%05%0.046CC..Hα-helixtrans-63.6-37.8177.800000112.8I347 S349 F354 A355 M376 A379 I380I347-A351 VanDerWaalsContact O-CB 3.3Å; I347-A351 WeakPolarHBondContact O-CB 3.15Å; I347-A351 PolarHBondContact O-N 2.8Å; S349-A351 VanDerWaalsContact C-N 3.34Å; S349-A351 PolarHBondContact O-N 3.3Å; A351-F354 PolarHBondContact O-N 3.09Å; A351-A355 WeakPolarHBondContact O-CB 3.45Å; A351-A355 PolarHBondContact O-N 2.67Å; A351-M376 HydrophobicContact CB-CG 3.88Å; A351-M376 WeakPolarHBondContact CB-O 3.41Å; A351-A379 HydrophobicContact CB-CB 3.83Å; A351-I380 HydrophobicContact CB-CB 4.46Å; A351-I380 HydrophobicContact CB-CG1 3.54Å
352S94.3Very high93.8Very high0 Ų012.3 Ų12.30%06%0.058CC..Hα-helixtrans-64.3-46.7176.5-67.80000111.3M39 Q248 L348 S349 A350 F354 R356M39-S352 WeakPolarHBondContact CE-O 3.32Å; Q248-S352 PolarHBondContact NE2-OG 2.84Å; L348-S352 WeakPolarHBondContact O-CB 2.81Å; L348-S352 PolarHBondContact O-N 3.46Å; L348-S352 PolarHBondContact O-OG 3.09Å; S349-S352 WeakPolarHBondContact O-CB 2.93Å; S349-S352 PolarHBondContact O-N 3.47Å; A350-S352 VanDerWaalsContact C-N 3.33Å; A350-S352 PolarHBondContact O-N 3.4Å; S352-F354 VanDerWaalsContact C-N 3.33Å; S352-F354 PolarHBondContact O-N 3.24Å; S352-R356 VanDerWaalsContact O-CB 3.24Å; S352-R356 WeakPolarHBondContact O-CB 3.33Å; S352-R356 PolarHBondContact O-N 3.36Å
353M95.7Very high93.7Very high0 Ų017.3 Ų17.30%08%0.084CC..Hα-helixtrans-59.7-44.1174.1-76.5-174.1-68.100111.7M108 L109 F125 A128 E132 Q244 S349 A350 N357M108-M353 HydrophobicContact CE-CE 4.3Å; M108-M353 HydrophobicContact CE-SD 3.58Å; M108-M353 VanDerWaalsContact CE-SD 3.58Å; M108-M353 HydrophobicContact CG-SD 4.26Å; L109-M353 HydrophobicContact CD1-CB 4.26Å; L109-M353 HydrophobicContact CD1-CG 4.13Å; L109-M353 HydrophobicContact CD1-SD 3.76Å; L109-M353 HydrophobicContact CG-CG 4.38Å; L109-M353 HydrophobicContact CG-SD 3.93Å; F125-M353 HydrophobicContact CD2-CB 3.9Å; F125-M353 HydrophobicContact CE2-CB 3.77Å; A128-M353 HydrophobicContact CB-CE 3.95Å; A128-M353 HydrophobicContact CB-SD 3.9Å; E132-M353 HydrophobicContact CG-CE 3.98Å; Q244-M353 HydrophobicContact CB-CE 3.61Å; Q244-M353 HydrophobicContact CB-CG 3.9Å; Q244-M353 HydrophobicContact CB-SD 3.5Å; Q244-M353 WeakPolarHBondContact CB-SD 3.26Å; Q244-M353 HydrophobicContact CG-CE 4.1Å; Q244-M353 HydrophobicContact CG-CG 3.64Å; Q244-M353 HydrophobicContact CG-SD 3.97Å; S349-M353 PolarHBondContact O-N 3.32Å; A350-M353 PolarHBondContact O-N 2.97Å; M353-N357 WeakPolarHBondContact O-CA 3.38Å; M353-N357 VanDerWaalsContact O-CB 3.31Å; M353-N357 WeakPolarHBondContact O-CB 3.43Å; M353-N357 PolarHBondContact O-N 3.02Å; M353-N357 PolarHBondContact O-OD1 3.3Å
354F97.3Very high93.7Very high48 Ų4823.6 Ų23.621%0.21111%0.107CC..Iπ-helixtrans-62.6-53.4179.2-176.4-95.5000111.7F125 A350 A351 S352 R356 I358 W359 V375 A379F125-F354 AromaticContact CE1-CD2 3.88Å; F125-F354 HydrophobicContact CE1-CD2 3.88Å; F125-F354 HydrophobicContact CE2-CB 4.17Å; F125-F354 HydrophobicContact CZ-CB 3.85Å; F125-F354 AromaticContact CZ-CD2 3.82Å; F125-F354 HydrophobicContact CZ-CD2 3.82Å; F125-F354 HydrophobicContact CZ-CG 4.34Å; A350-F354 PolarHBondContact O-N 2.98Å; A351-F354 PolarHBondContact O-N 3.09Å; S352-F354 VanDerWaalsContact C-N 3.33Å; S352-F354 PolarHBondContact O-N 3.24Å; F354-R356 VanDerWaalsContact C-N 3.28Å; F354-R356 PolarHBondContact O-N 3.11Å; F354-I358 HydrophobicContact CD2-CB 3.92Å; F354-I358 HydrophobicContact CD2-CG1 4.03Å; F354-I358 HydrophobicContact CD2-CG2 4.12Å; F354-I358 HydrophobicContact CE2-CB 4.12Å; F354-I358 HydrophobicContact CE2-CG2 3.81Å; F354-I358 HydrophobicContact CG-CB 4.45Å; F354-I358 HydrophobicContact CZ-CG2 4.44Å; F354-I358 WeakPolarHBondContact O-CA 3.4Å; F354-I358 VanDerWaalsContact O-CB 3.32Å; F354-I358 WeakPolarHBondContact O-CB 3.24Å; F354-I358 PolarHBondContact O-N 3.11Å; F354-I358 VanDerWaalsContact O-N 3.1Å; F354-W359 PolarHBondContact O-N 3.19Å; F354-V375 HydrophobicContact CD1-CG1 3.96Å; F354-V375 HydrophobicContact CE1-CG1 3.79Å; F354-A379 HydrophobicContact CB-CB 4.26Å; F354-A379 HydrophobicContact CD1-CB 3.83Å; F354-A379 HydrophobicContact CG-CB 4.28Å
355A95.9Very high93.6Very high0 Ų026.5 Ų26.50%013%0.125CC..Iπ-helixtrans-62.2-36.8-177.100000112.4A351 W359 K360 I372 V375 M376A351-A355 WeakPolarHBondContact O-CB 3.45Å; A351-A355 PolarHBondContact O-N 2.67Å; A355-W359 WeakPolarHBondContact O-CB 2.91Å; A355-K360 WeakPolarHBondContact O-CB 3.42Å; A355-K360 PolarHBondContact O-N 3.14Å; A355-I372 HydrophobicContact CB-CG2 4.04Å; A355-V375 HydrophobicContact CB-CG1 4.33Å; A355-M376 HydrophobicContact CB-CB 3.69Å; A355-M376 HydrophobicContact CB-CG 4.41Å
356R93.4Very high93.4Very high30 Ų3034.6 Ų34.611%0.11316%0.163CC..Iπ-helixtrans-82.8-60.7-179.8-179.562.6170.8-132-6.2112.5M39 V106 T107 D110 S352 F354 K360 L361M39-R356 HydrophobicContact CE-CB 3.68Å; M39-R356 HydrophobicContact CE-CG 4.29Å; V106-R356 VanDerWaalsContact CG2-NH2 3.26Å; T107-R356 HydrophobicContact CG2-CB 3.86Å; T107-R356 HydrophobicContact CG2-CG 3.8Å; D110-R356 IonicContact OD2-NH2 3.53Å; S352-R356 VanDerWaalsContact O-CB 3.24Å; S352-R356 WeakPolarHBondContact O-CB 3.33Å; S352-R356 PolarHBondContact O-N 3.36Å; F354-R356 VanDerWaalsContact C-N 3.28Å; F354-R356 PolarHBondContact O-N 3.11Å; R356-K360 WeakPolarHBondContact O-CB 3.4Å; R356-L361 HydrophobicContact CG-CD1 4.13Å; R356-L361 WeakPolarHBondContact O-CB 3.23Å; R356-L361 WeakPolarHBondContact O-CG 3.42Å; R356-L361 PolarHBondContact O-N 2.9Å
357N94.5Very high93.1Very high0 Ų034.7 Ų34.70%016%0.164CC..Iπ-helixtrans-82.3-35.5-167.4-56.796.1000112.5T107 L109 D110 V121 M353T107-N357 WeakPolarHBondContact CB-OD1 3.26Å; T107-N357 WeakPolarHBondContact CG2-OD1 3.48Å; T107-N357 PolarHBondContact OG1-ND2 2.55Å; T107-N357 PolarHBondContact OG1-OD1 2.83Å; L109-N357 HydrophobicContact CB-CB 4.32Å; L109-N357 HydrophobicContact CD1-CB 4.37Å; D110-N357 PolarHBondContact OD1-ND2 2.84Å; V121-N357 HydrophobicContact CG1-CB 3.91Å; M353-N357 WeakPolarHBondContact O-CA 3.38Å; M353-N357 VanDerWaalsContact O-CB 3.31Å; M353-N357 WeakPolarHBondContact O-CB 3.43Å; M353-N357 PolarHBondContact O-N 3.02Å; M353-N357 PolarHBondContact O-OD1 3.3Å
358I96.1Very high92.9Very high22 Ų2237.8 Ų37.811%0.11319%0.185CC..Iπ-helixtrans-89.6-56.9-178.8-50.7-53.9000110F125 F354 A362 I363F125-I358 HydrophobicContact CB-CD1 3.73Å; F125-I358 HydrophobicContact CB-CG1 4.31Å; F125-I358 HydrophobicContact CD1-CD1 3.92Å; F125-I358 HydrophobicContact CD1-CG1 3.75Å; F125-I358 HydrophobicContact CD2-CG1 4.23Å; F125-I358 HydrophobicContact CE1-CG1 4.1Å; F125-I358 HydrophobicContact CG-CD1 3.8Å; F125-I358 HydrophobicContact CG-CG1 3.82Å; F125-I358 HydrophobicContact CZ-CG1 4.49Å; F354-I358 HydrophobicContact CD2-CB 3.92Å; F354-I358 HydrophobicContact CD2-CG1 4.03Å; F354-I358 HydrophobicContact CD2-CG2 4.12Å; F354-I358 HydrophobicContact CE2-CB 4.12Å; F354-I358 HydrophobicContact CE2-CG2 3.81Å; F354-I358 HydrophobicContact CG-CB 4.45Å; F354-I358 HydrophobicContact CZ-CG2 4.44Å; F354-I358 WeakPolarHBondContact O-CA 3.4Å; F354-I358 VanDerWaalsContact O-CB 3.32Å; F354-I358 WeakPolarHBondContact O-CB 3.24Å; F354-I358 PolarHBondContact O-N 3.11Å; F354-I358 VanDerWaalsContact O-N 3.1Å; I358-A362 WeakPolarHBondContact O-CA 3.35Å; I358-A362 VanDerWaalsContact O-CB 3.25Å; I358-A362 WeakPolarHBondContact O-CB 3.38Å; I358-A362 PolarHBondContact O-N 2.83Å; I358-I363 HydrophobicContact CG2-CD1 3.94Å; I358-I363 WeakPolarHBondContact O-CG1 3.15Å; I358-I363 PolarHBondContact O-N 3.23Å
359W96Very high92.8Very high71 Ų7141.1 Ų41.127%0.26920%0.201SC..Iπ-helixtrans-72.1-66.9-176.1-167.5-98.4000112.2F354 A355 L361 I363 R364 E371 V375F354-W359 PolarHBondContact O-N 3.19Å; A355-W359 WeakPolarHBondContact O-CB 2.91Å; W359-L361 PolarHBondContact O-N 3.46Å; W359-I363 HydrophobicContact CE3-CB 4.38Å; W359-I363 HydrophobicContact CE3-CD1 3.95Å; W359-I363 HydrophobicContact CE3-CG2 4.24Å; W359-I363 HydrophobicContact CZ3-CD1 4.3Å; W359-I363 HydrophobicContact CZ3-CG2 4.15Å; W359-I363 PolarHBondContact O-N 3.24Å; W359-R364 PolarHBondContact O-N 2.9Å; W359-E371 PolarHBondContact NE1-OE1 2.9Å; W359-V375 HydrophobicContact CB-CG1 3.85Å; W359-V375 HydrophobicContact CD2-CG1 4.1Å; W359-V375 HydrophobicContact CD2-CG2 4.02Å; W359-V375 HydrophobicContact CG-CB 4.33Å; W359-V375 HydrophobicContact CG-CG1 3.79Å; W359-V375 HydrophobicContact CG-CG2 4.03Å; W359-V375 HydrophobicContact CZ2-CG2 4.37Å
360K91.4Very high92.5Very high44 Ų4447.1 Ų47.119%0.19123%0.227CC..Iπ-helixtrans-65-39.7-174.2175.460172.3176.50112.9A355 R356 R364 T365 A367 I372A355-K360 WeakPolarHBondContact O-CB 3.42Å; A355-K360 PolarHBondContact O-N 3.14Å; R356-K360 WeakPolarHBondContact O-CB 3.4Å; K360-R364 CarbonylContact O-C 3.59Å; K360-T365 WeakPolarHBondContact CE-O 3.46Å; K360-T365 PolarHBondContact NZ-O 3.36Å; K360-T365 WeakPolarHBondContact O-CA 3.38Å; K360-T365 PolarHBondContact O-N 3.36Å; K360-A367 HydrophobicContact CD-CB 3.96Å; K360-A367 PolarHBondContact NZ-O 3.31Å; K360-I372 HydrophobicContact CB-CD1 4.09Å; K360-I372 HydrophobicContact CB-CG1 4.17Å; K360-I372 HydrophobicContact CD-CD1 3.77Å; K360-I372 HydrophobicContact CD-CG1 4.3Å; K360-I372 HydrophobicContact CG-CD1 3.81Å; K360-I372 HydrophobicContact CG-CG1 4.39Å
361L87.9Confident92.4Very high12 Ų1248.6 Ų48.66%0.06323%0.234CC..Iπ-helixtrans-98.3-16.3-171.4-65.6171000114.7Q113 R356 W359 I517 L519Q113-L361 HydrophobicContact CG-CB 4.48Å; Q113-L361 HydrophobicContact CG-CD1 4.18Å; Q113-L361 PolarHBondContact NE2-O 3.29Å; R356-L361 HydrophobicContact CG-CD1 4.13Å; R356-L361 WeakPolarHBondContact O-CB 3.23Å; R356-L361 WeakPolarHBondContact O-CG 3.42Å; R356-L361 PolarHBondContact O-N 2.9Å; W359-L361 PolarHBondContact O-N 3.46Å; L361-I517 HydrophobicContact CD2-CG2 3.84Å; L361-I517 WeakPolarHBondContact O-CD1 3.42Å; L361-L519 HydrophobicContact CD1-CD2 3.74Å; L361-L519 HydrophobicContact CD2-CD2 3.95Å
362A88.9Confident92.2Very high30 Ų3048.7 Ų48.725%0.24823%0.234CC..Iπ-helixtrans-116.6-42.4179.800000113.8Q118 I358Q118-A362 HydrophobicContact CB-CB 3.91Å; Q118-A362 HydrophobicContact CG-CB 4.43Å; I358-A362 WeakPolarHBondContact O-CA 3.35Å; I358-A362 VanDerWaalsContact O-CB 3.25Å; I358-A362 WeakPolarHBondContact O-CB 3.38Å; I358-A362 PolarHBondContact O-N 2.83Å
363I91.4Very high92.1Very high105 Ų10550 Ų5054%0.53824%0.241SC..Iπ-helixtrans-93.8-53.9-173.6-62.1171.1000111.8I358 W359I358-I363 HydrophobicContact CG2-CD1 3.94Å; I358-I363 WeakPolarHBondContact O-CG1 3.15Å; I358-I363 PolarHBondContact O-N 3.23Å; W359-I363 HydrophobicContact CE3-CB 4.38Å; W359-I363 HydrophobicContact CE3-CD1 3.95Å; W359-I363 HydrophobicContact CE3-CG2 4.24Å; W359-I363 HydrophobicContact CZ3-CD1 4.3Å; W359-I363 HydrophobicContact CZ3-CG2 4.15Å; W359-I363 PolarHBondContact O-N 3.24Å
364R91.2Very high91.9Very high131 Ų13157.5 Ų57.549%0.49427%0.269SS..  trans-12980.6-175.2-159-168-178167.9-1.4111.5W359 K360 H366 A367 E371W359-R364 PolarHBondContact O-N 2.9Å; K360-R364 CarbonylContact O-C 3.59Å; R364-H366 PolarHBondContact O-N 3.33Å; R364-H366 VanDerWaalsContact O-N 3.1Å; R364-A367 HydrophobicContact CB-CB 4.22Å; R364-A367 HydrophobicContact CG-CB 4.23Å; R364-A367 VanDerWaalsContact O-CB 3.25Å; R364-A367 WeakPolarHBondContact O-CB 3.45Å; R364-A367 PolarHBondContact O-N 2.55Å; R364-E371 WeakPolarHBondContact CD-OE1 3.31Å; R364-E371 IonicContact CZ-OE1 2.82Å; R364-E371 IonicContact CZ-OE2 2.68Å; R364-E371 VanDerWaalsContact CZ-OE2 3.24Å; R364-E371 IonicContact NE-OE1 2.74Å; R364-E371 IonicContact NE-OE2 2.91Å; R364-E371 IonicContact NH1-OE1 3.5Å; R364-E371 PolarHBondContact NH1-OE1 3.48Å; R364-E371 IonicContact NH1-OE2 3.24Å; R364-E371 PolarHBondContact NH1-OE2 3.32Å; R364-E371 IonicContact NH2-OE2 3.57Å
365T88.2Confident91.9Very high61 Ų6156 Ų5637%0.37426%0.264SS..THydrogen-bonded Turntrans-54.1-3017953.70000114.1K360 I517K360-T365 WeakPolarHBondContact CE-O 3.46Å; K360-T365 PolarHBondContact NZ-O 3.36Å; K360-T365 WeakPolarHBondContact O-CA 3.38Å; K360-T365 PolarHBondContact O-N 3.36Å; T365-I517 HydrophobicContact CG2-CD1 4.18Å
366H88.7Confident91.8Very high170 Ų17056.2 Ų56.279%0.78727%0.265SS*.THydrogen-bonded Turntrans-95.913.3178.1-56.3-71.6000114.5R364 S368R364-H366 PolarHBondContact O-N 3.33Å; R364-H366 VanDerWaalsContact O-N 3.1Å; H366-S368 PolarHBondContact O-N 2.94Å
367A89.7Confident91.7Very high3 Ų357.4 Ų57.43%0.02527%0.271CS..  trans-57.7138178.400000112K360 R364 E371 I372K360-A367 HydrophobicContact CD-CB 3.96Å; K360-A367 PolarHBondContact NZ-O 3.31Å; R364-A367 HydrophobicContact CB-CB 4.22Å; R364-A367 HydrophobicContact CG-CB 4.23Å; R364-A367 VanDerWaalsContact O-CB 3.25Å; R364-A367 WeakPolarHBondContact O-CB 3.45Å; R364-A367 PolarHBondContact O-N 2.55Å; A367-E371 WeakPolarHBondContact CA-OE2 3.49Å; A367-E371 HydrophobicContact CB-CG 4.31Å; A367-E371 WeakPolarHBondContact CB-OE2 3.48Å; A367-I372 HydrophobicContact CB-CG1 4.33Å
368S91.6Very high91.8Very high65 Ų6562 Ų6246%0.45530%0.295SS..  trans-75.4160.117769.20000111.7H366 K370 E371 I372H366-S368 PolarHBondContact O-N 2.94Å; S368-K370 VanDerWaalsContact C-N 3.29Å; S368-K370 PolarHBondContact O-N 3.25Å; S368-E371 PolarHBondContact N-OE2 2.92Å; S368-E371 WeakPolarHBondContact O-CB 3.1Å; S368-E371 PolarHBondContact O-N 2.83Å; S368-E371 VanDerWaalsContact O-N 3.08Å; S368-E371 WeakPolarHBondContact OG-CB 3.37Å; S368-E371 PolarHBondContact OG-N 3.38Å; S368-I372 WeakPolarHBondContact O-CG1 3.38Å; S368-I372 PolarHBondContact O-N 3.11Å
369E89.2Confident91.9Very high71 Ų7161 Ų6133%0.33229%0.29SS..Hα-helixtrans-58.8-39.9178.2-62.6-63.3134.900112.6D33 S35 E371 I372 I373D33-E369 VanDerWaalsContact O-CB 3.26Å; D33-E369 WeakPolarHBondContact O-CB 3.37Å; S35-E369 WeakPolarHBondContact CB-OE2 3.42Å; S35-E369 PolarHBondContact N-OE2 2.54Å; S35-E369 PolarHBondContact OG-OE2 2.91Å; E369-E371 VanDerWaalsContact C-N 3.3Å; E369-E371 PolarHBondContact O-N 3.4Å; E369-I372 PolarHBondContact O-N 3.29Å; E369-I373 WeakPolarHBondContact O-CG1 3.24Å; E369-I373 PolarHBondContact O-N 3.08Å
370K89.6Confident91.8Very high125 Ų12557.8 Ų57.854%0.54328%0.278SS..Hα-helixtrans-60.8-40.3175-69.3-176178-179.90112.1D33 S368 I373 W374D33-K370 WeakPolarHBondContact OD2-CE 3.11Å; D33-K370 IonicContact OD2-NZ 2.9Å; D33-K370 PolarHBondContact OD2-NZ 3.34Å; S368-K370 VanDerWaalsContact C-N 3.29Å; S368-K370 PolarHBondContact O-N 3.25Å; K370-I373 PolarHBondContact O-N 3.35Å; K370-W374 VanDerWaalsContact O-CD1 3.29Å; K370-W374 PolarHBondContact O-N 2.86Å
371E93.6Very high92.1Very high33 Ų3360.3 Ų60.315%0.15429%0.293CS..Hα-helixtrans-65.5-44.3176.4-177.8-174.5168.500111.6W359 R364 A367 S368 E369 I373 W374 V375W359-E371 PolarHBondContact NE1-OE1 2.9Å; R364-E371 WeakPolarHBondContact CD-OE1 3.31Å; R364-E371 IonicContact CZ-OE1 2.82Å; R364-E371 IonicContact CZ-OE2 2.68Å; R364-E371 VanDerWaalsContact CZ-OE2 3.24Å; R364-E371 IonicContact NE-OE1 2.74Å; R364-E371 IonicContact NE-OE2 2.91Å; R364-E371 IonicContact NH1-OE1 3.5Å; R364-E371 PolarHBondContact NH1-OE1 3.48Å; R364-E371 IonicContact NH1-OE2 3.24Å; R364-E371 PolarHBondContact NH1-OE2 3.32Å; R364-E371 IonicContact NH2-OE2 3.57Å; A367-E371 WeakPolarHBondContact CA-OE2 3.49Å; A367-E371 HydrophobicContact CB-CG 4.31Å; A367-E371 WeakPolarHBondContact CB-OE2 3.48Å; S368-E371 PolarHBondContact N-OE2 2.92Å; S368-E371 WeakPolarHBondContact O-CB 3.1Å; S368-E371 PolarHBondContact O-N 2.83Å; S368-E371 VanDerWaalsContact O-N 3.08Å; S368-E371 WeakPolarHBondContact OG-CB 3.37Å; S368-E371 PolarHBondContact OG-N 3.38Å; E369-E371 VanDerWaalsContact C-N 3.3Å; E369-E371 PolarHBondContact O-N 3.4Å; E371-I373 VanDerWaalsContact C-N 3.26Å; E371-I373 PolarHBondContact O-N 2.83Å; E371-W374 PolarHBondContact O-N 3.19Å; E371-W374 VanDerWaalsContact O-N 3.16Å; E371-V375 HydrophobicContact CG-CG2 4.37Å; E371-V375 WeakPolarHBondContact O-CG2 3.45Å; E371-V375 PolarHBondContact O-N 3.39Å
372I92.6Very high92.5Very high2 Ų264.3 Ų64.31%0.0131%0.313CS..Hα-helixtrans-57.1-43.9176.8-61.8168.7000110.2A355 K360 A367 S368 E369 V375 M376A355-I372 HydrophobicContact CB-CG2 4.04Å; K360-I372 HydrophobicContact CB-CD1 4.09Å; K360-I372 HydrophobicContact CB-CG1 4.17Å; K360-I372 HydrophobicContact CD-CD1 3.77Å; K360-I372 HydrophobicContact CD-CG1 4.3Å; K360-I372 HydrophobicContact CG-CD1 3.81Å; K360-I372 HydrophobicContact CG-CG1 4.39Å; A367-I372 HydrophobicContact CB-CG1 4.33Å; S368-I372 WeakPolarHBondContact O-CG1 3.38Å; S368-I372 PolarHBondContact O-N 3.11Å; E369-I372 PolarHBondContact O-N 3.29Å; I372-V375 PolarHBondContact O-N 3.44Å; I372-M376 WeakPolarHBondContact O-CB 3.28Å; I372-M376 PolarHBondContact O-N 3.44Å
373I90.7Very high92.9Very high28 Ų2863.3 Ų63.314%0.14430%0.303CS..Hα-helixtrans-63.6-43.9178-66.1166.8000111.3V38 E369 K370 E371 M376 K377V38-I373 HydrophobicContact CG2-CD1 3.98Å; V38-I373 HydrophobicContact CG2-CG1 4.17Å; E369-I373 WeakPolarHBondContact O-CG1 3.24Å; E369-I373 PolarHBondContact O-N 3.08Å; K370-I373 PolarHBondContact O-N 3.35Å; E371-I373 VanDerWaalsContact C-N 3.26Å; E371-I373 PolarHBondContact O-N 2.83Å; I373-M376 WeakPolarHBondContact O-CB 3.34Å; I373-M376 PolarHBondContact O-N 3.19Å; I373-K377 WeakPolarHBondContact O-CG 3.48Å; I373-K377 PolarHBondContact O-N 2.95Å
374W93Very high93.1Very high157 Ų15758.4 Ų58.460%0.59528%0.279SS*.Hα-helixtrans-65-40.8177-87.5111.7000112.9F171 K370 E371 M376 K377 I378F171-W374 HydrophobicContact CZ-CZ3 4.44Å; K370-W374 VanDerWaalsContact O-CD1 3.29Å; K370-W374 PolarHBondContact O-N 2.86Å; E371-W374 PolarHBondContact O-N 3.19Å; E371-W374 VanDerWaalsContact O-N 3.16Å; W374-M376 VanDerWaalsContact C-N 3.34Å; W374-K377 HydrophobicContact CE3-CD 4.39Å; W374-K377 WeakPolarHBondContact O-CB 3.3Å; W374-K377 PolarHBondContact O-N 2.57Å; W374-I378 WeakPolarHBondContact O-CG1 3.38Å; W374-I378 PolarHBondContact O-N 2.82Å
375V95.8Very high93.4Very high17 Ų1755.6 Ų55.610%0.10328%0.276CS..Hα-helixtrans-64.5-41.3175.9171.30000111F354 A355 W359 E371 I372 K377 I378 A379F354-V375 HydrophobicContact CD1-CG1 3.96Å; F354-V375 HydrophobicContact CE1-CG1 3.79Å; A355-V375 HydrophobicContact CB-CG1 4.33Å; W359-V375 HydrophobicContact CB-CG1 3.85Å; W359-V375 HydrophobicContact CD2-CG1 4.1Å; W359-V375 HydrophobicContact CD2-CG2 4.02Å; W359-V375 HydrophobicContact CG-CB 4.33Å; W359-V375 HydrophobicContact CG-CG1 3.79Å; W359-V375 HydrophobicContact CG-CG2 4.03Å; W359-V375 HydrophobicContact CZ2-CG2 4.37Å; E371-V375 HydrophobicContact CG-CG2 4.37Å; E371-V375 WeakPolarHBondContact O-CG2 3.45Å; E371-V375 PolarHBondContact O-N 3.39Å; I372-V375 PolarHBondContact O-N 3.44Å; V375-K377 VanDerWaalsContact C-N 3.31Å; V375-K377 PolarHBondContact O-N 2.99Å; V375-I378 PolarHBondContact O-N 3.33Å; V375-A379 WeakPolarHBondContact O-CB 3.24Å; V375-A379 PolarHBondContact O-N 3.09Å
376M93.4Very high93.9Very high4 Ų456.9 Ų56.92%0.0228%0.279CS..Hα-helixtrans-59.4-43.2173.3-176.4176.569.700111.2V38 M39 L348 A351 A355 I372 I373 W374 I378 A379 I380V38-M376 HydrophobicContact CB-CE 3.96Å; V38-M376 HydrophobicContact CG1-CE 3.28Å; M39-M376 HydrophobicContact CG-SD 3.94Å; L348-M376 HydrophobicContact CD1-CE 4.47Å; L348-M376 HydrophobicContact CD1-SD 4.09Å; A351-M376 HydrophobicContact CB-CG 3.88Å; A351-M376 WeakPolarHBondContact CB-O 3.41Å; A355-M376 HydrophobicContact CB-CB 3.69Å; A355-M376 HydrophobicContact CB-CG 4.41Å; I372-M376 WeakPolarHBondContact O-CB 3.28Å; I372-M376 PolarHBondContact O-N 3.44Å; I373-M376 WeakPolarHBondContact O-CB 3.34Å; I373-M376 PolarHBondContact O-N 3.19Å; W374-M376 VanDerWaalsContact C-N 3.34Å; M376-I378 PolarHBondContact O-N 2.92Å; M376-A379 WeakPolarHBondContact O-CB 3.12Å; M376-A379 PolarHBondContact O-N 3.5Å; M376-I380 WeakPolarHBondContact O-CG1 3.39Å; M376-I380 PolarHBondContact O-N 2.93Å
377K93.3Very high94.3Very high54 Ų5448.8 Ų48.824%0.23524%0.241CC..Hα-helixtrans-61.6-40.2176-78.9-175.6177.5-167.60113.6F171 I373 W374 V375 I380 L381F171-K377 HydrophobicContact CD2-CB 3.9Å; F171-K377 HydrophobicContact CD2-CG 4.2Å; F171-K377 HydrophobicContact CE1-CD 4.14Å; F171-K377 HydrophobicContact CE2-CB 3.55Å; F171-K377 HydrophobicContact CE2-CD 4.17Å; F171-K377 HydrophobicContact CE2-CG 4.09Å; F171-K377 HydrophobicContact CZ-CB 4.11Å; F171-K377 HydrophobicContact CZ-CD 3.92Å; F171-K377 HydrophobicContact CZ-CG 4.36Å; F171-K377 WeakPolarHBondContact O-CE 3.37Å; I373-K377 WeakPolarHBondContact O-CG 3.48Å; I373-K377 PolarHBondContact O-N 2.95Å; W374-K377 HydrophobicContact CE3-CD 4.39Å; W374-K377 WeakPolarHBondContact O-CB 3.3Å; W374-K377 PolarHBondContact O-N 2.57Å; V375-K377 VanDerWaalsContact C-N 3.31Å; V375-K377 PolarHBondContact O-N 2.99Å; K377-I380 WeakPolarHBondContact O-CB 3.35Å; K377-I380 PolarHBondContact O-N 3Å; K377-L381 PolarHBondContact O-N 2.97Å
378I96.1Very high94.6Very high97 Ų9750.5 Ų50.550%0.49725%0.249SC..Hα-helixtrans-67-41.2173.9-65.1166.5000110.4W374 V375 M376 I380 L381 M382W374-I378 WeakPolarHBondContact O-CG1 3.38Å; W374-I378 PolarHBondContact O-N 2.82Å; V375-I378 PolarHBondContact O-N 3.33Å; M376-I378 PolarHBondContact O-N 2.92Å; I378-I380 VanDerWaalsContact C-N 3.33Å; I378-I380 PolarHBondContact O-N 3.32Å; I378-L381 WeakPolarHBondContact O-CB 3.13Å; I378-L381 PolarHBondContact O-N 3.36Å; I378-M382 HydrophobicContact CG2-CE 4.47Å; I378-M382 PolarHBondContact O-N 3.49Å; I378-M382 VanDerWaalsContact O-N 3.07Å
379A96.8Very high94.8Very high2 Ų250.8 Ų50.82%0.01725%0.248CC..Hα-helixtrans-63.5-36.7177.100000112.5A351 F354 V375 M376 L381 M382 V383A351-A379 HydrophobicContact CB-CB 3.83Å; F354-A379 HydrophobicContact CB-CB 4.26Å; F354-A379 HydrophobicContact CD1-CB 3.83Å; F354-A379 HydrophobicContact CG-CB 4.28Å; V375-A379 WeakPolarHBondContact O-CB 3.24Å; V375-A379 PolarHBondContact O-N 3.09Å; M376-A379 WeakPolarHBondContact O-CB 3.12Å; M376-A379 PolarHBondContact O-N 3.5Å; A379-L381 VanDerWaalsContact C-N 3.31Å; A379-L381 PolarHBondContact O-N 3.34Å; A379-M382 PolarHBondContact O-N 2.77Å; A379-V383 WeakPolarHBondContact O-CB 3.48Å; A379-V383 VanDerWaalsContact O-CG2 3.27Å; A379-V383 WeakPolarHBondContact O-CG2 3.47Å; A379-V383 PolarHBondContact O-N 2.92Å
380I95.4Very high95.1Very high2 Ų249.1 Ų49.11%0.0124%0.241CC..Hα-helixtrans-54.9-48171.9-73.7166.9000110.5V167 T170 F171 I347 L348 A351 M376 K377 I378 G384V167-I380 HydrophobicContact CG1-CG2 4.3Å; T170-I380 HydrophobicContact CG2-CD1 4.12Å; T170-I380 HydrophobicContact CG2-CG1 4.3Å; T170-I380 HydrophobicContact CG2-CG2 4.04Å; F171-I380 HydrophobicContact CB-CG2 4.28Å; I347-I380 HydrophobicContact CG2-CB 4.08Å; I347-I380 HydrophobicContact CG2-CG1 4.19Å; I347-I380 HydrophobicContact CG2-CG2 3.75Å; L348-I380 HydrophobicContact CD1-CD1 4.23Å; A351-I380 HydrophobicContact CB-CB 4.46Å; A351-I380 HydrophobicContact CB-CG1 3.54Å; M376-I380 WeakPolarHBondContact O-CG1 3.39Å; M376-I380 PolarHBondContact O-N 2.93Å; K377-I380 WeakPolarHBondContact O-CB 3.35Å; K377-I380 PolarHBondContact O-N 3Å; I378-I380 VanDerWaalsContact C-N 3.33Å; I378-I380 PolarHBondContact O-N 3.32Å; I380-G384 PolarHBondContact O-N 3.26Å
381L96Very high95.3Very high97 Ų9743.2 Ų43.251%0.50822%0.215SC..Hα-helixtrans-62.1-46178.6-179.363.3000111.4V167 K377 I378 A379 G384 V385V167-L381 HydrophobicContact CG1-CD1 3.96Å; K377-L381 PolarHBondContact O-N 2.97Å; I378-L381 WeakPolarHBondContact O-CB 3.13Å; I378-L381 PolarHBondContact O-N 3.36Å; A379-L381 VanDerWaalsContact C-N 3.31Å; A379-L381 PolarHBondContact O-N 3.34Å; L381-G384 PolarHBondContact O-N 2.85Å; L381-V385 WeakPolarHBondContact O-CG2 3.4Å; L381-V385 PolarHBondContact O-N 3.34Å
382M97.2Very high95.3Very high97 Ų9744.3 Ų44.348%0.47822%0.222SC..Hα-helixtrans-64.3-46.6-179.5-67-163-63.600112.5I378 A379 G384 V385 M386I378-M382 HydrophobicContact CG2-CE 4.47Å; I378-M382 PolarHBondContact O-N 3.49Å; I378-M382 VanDerWaalsContact O-N 3.07Å; A379-M382 PolarHBondContact O-N 2.77Å; M382-G384 VanDerWaalsContact C-N 3.32Å; M382-G384 PolarHBondContact O-N 2.78Å; M382-V385 PolarHBondContact O-N 3.46Å; M382-M386 WeakPolarHBondContact O-CG 3.32Å; M382-M386 PolarHBondContact O-N 3.28Å
383V97.3Very high95.3Very high8 Ų848.5 Ų48.55%0.04825%0.247CC..Hα-helixtrans-63.6-41.2178.1175.60000110.5L129 V133 I347 A350 A379 V385 M386 A387L129-V383 HydrophobicContact CD1-CG2 3.94Å; V133-V383 HydrophobicContact CG2-CG1 4.24Å; I347-V383 HydrophobicContact CB-CG1 4.45Å; I347-V383 HydrophobicContact CG1-CG1 4.18Å; I347-V383 HydrophobicContact CG2-CB 4.34Å; I347-V383 HydrophobicContact CG2-CG1 4.37Å; A350-V383 HydrophobicContact CB-CB 4.42Å; A350-V383 HydrophobicContact CB-CG1 3.89Å; A350-V383 HydrophobicContact CB-CG2 3.76Å; A379-V383 WeakPolarHBondContact O-CB 3.48Å; A379-V383 VanDerWaalsContact O-CG2 3.27Å; A379-V383 WeakPolarHBondContact O-CG2 3.47Å; A379-V383 PolarHBondContact O-N 2.92Å; V383-V385 PolarHBondContact O-N 3.44Å; V383-M386 PolarHBondContact O-N 2.72Å; V383-A387 VanDerWaalsContact O-CB 3.31Å; V383-A387 WeakPolarHBondContact O-CB 3.16Å; V383-A387 PolarHBondContact O-N 2.96Å
384G96.7Very high95.1Very high2 Ų248 Ų482%0.02125%0.246CC..Hα-helixtrans-59.8-43.2175.200000113.1I380 L381 M382 A387 M388I380-G384 PolarHBondContact O-N 3.26Å; L381-G384 PolarHBondContact O-N 2.85Å; M382-G384 VanDerWaalsContact C-N 3.32Å; M382-G384 PolarHBondContact O-N 2.78Å; G384-A387 PolarHBondContact O-N 3.17Å; G384-M388 WeakPolarHBondContact O-CB 3.46Å; G384-M388 PolarHBondContact O-N 2.79Å
385V97.3Very high94.7Very high72 Ų7245.5 Ų45.544%0.43624%0.244SC..Hα-helixtrans-64.2-44.7174.7171.20000111.1L381 M382 V383 A387 M388 V389L381-V385 WeakPolarHBondContact O-CG2 3.4Å; L381-V385 PolarHBondContact O-N 3.34Å; M382-V385 PolarHBondContact O-N 3.46Å; V383-V385 PolarHBondContact O-N 3.44Å; V385-A387 PolarHBondContact O-N 3.45Å; V385-M388 PolarHBondContact O-N 3.23Å; V385-V389 WeakPolarHBondContact O-CG2 3.45Å; V385-V389 PolarHBondContact O-N 3.05Å
386M97.3Very high94.6Very high88 Ų8846.1 Ų46.143%0.43325%0.248SC..Hα-helixtrans-61-45176.9-69.1174.271.200111.8V133 M382 V383 V389 M390V133-M386 HydrophobicContact CG1-CB 3.96Å; V133-M386 HydrophobicContact CG2-CB 4.08Å; V133-M386 HydrophobicContact CG2-CE 4.03Å; V133-M386 HydrophobicContact CG2-SD 4.4Å; M382-M386 WeakPolarHBondContact O-CG 3.32Å; M382-M386 PolarHBondContact O-N 3.28Å; V383-M386 PolarHBondContact O-N 2.72Å; M386-V389 PolarHBondContact O-N 3.02Å; M386-M390 WeakPolarHBondContact O-CG 3.25Å; M386-M390 PolarHBondContact O-N 3.22Å
387A97Very high94.5Very high0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-63.2-41.3177.300000112G137 L140 V383 G384 V385 M390 A391G137-A387 VanDerWaalsContact CA-O 3.3Å; G137-A387 WeakPolarHBondContact CA-O 3.31Å; L140-A387 HydrophobicContact CD1-CB 3.82Å; V383-A387 VanDerWaalsContact O-CB 3.31Å; V383-A387 WeakPolarHBondContact O-CB 3.16Å; V383-A387 PolarHBondContact O-N 2.96Å; G384-A387 PolarHBondContact O-N 3.17Å; V385-A387 PolarHBondContact O-N 3.45Å; A387-M390 PolarHBondContact O-N 3.49Å; A387-A391 WeakPolarHBondContact O-CB 3.43Å; A387-A391 PolarHBondContact O-N 3.13Å
388M96.7Very high94.5Very high39 Ų3944.2 Ų44.219%0.19224%0.239CC..Hα-helixtrans-61.1-44.9174.5-178-173.671.200111.4V159 I160 A163 G384 V385 M390 A391 L392V159-M388 HydrophobicContact CG1-CG 4.48Å; I160-M388 HydrophobicContact CB-SD 4.38Å; I160-M388 HydrophobicContact CG1-SD 4.02Å; I160-M388 HydrophobicContact CG2-SD 4.39Å; A163-M388 HydrophobicContact CB-CB 3.81Å; A163-M388 HydrophobicContact CB-CG 3.75Å; A163-M388 HydrophobicContact CB-SD 3.88Å; G384-M388 WeakPolarHBondContact O-CB 3.46Å; G384-M388 PolarHBondContact O-N 2.79Å; V385-M388 PolarHBondContact O-N 3.23Å; M388-M390 VanDerWaalsContact C-N 3.33Å; M388-M390 PolarHBondContact O-N 2.91Å; M388-A391 PolarHBondContact O-N 3.41Å; M388-L392 HydrophobicContact CG-CD1 4.1Å; M388-L392 WeakPolarHBondContact O-CG 3.36Å; M388-L392 PolarHBondContact O-N 3.24Å
389V96.5Very high94.3Very high72 Ų7239.9 Ų39.944%0.43622%0.219SC..Hα-helixtrans-58.8-46.5174.91710000110.2V385 M386 A391 L392 T393V385-V389 WeakPolarHBondContact O-CG2 3.45Å; V385-V389 PolarHBondContact O-N 3.05Å; M386-V389 PolarHBondContact O-N 3.02Å; V389-A391 VanDerWaalsContact C-N 3.34Å; V389-A391 PolarHBondContact O-N 3.38Å; V389-L392 PolarHBondContact O-N 3.5Å; V389-T393 HydrophobicContact CG1-CG2 4.23Å; V389-T393 WeakPolarHBondContact O-CB 3.42Å; V389-T393 VanDerWaalsContact O-CG2 3.25Å; V389-T393 WeakPolarHBondContact O-CG2 3.28Å; V389-T393 PolarHBondContact O-N 3.39Å; V389-T393 PolarHBondContact O-OG1 3.03Å
390M94.2Very high94.1Very high36 Ų3640 Ų4018%0.17722%0.219CC..Hα-helixtrans-59.5-44.1176.4-66.7-49.9-51.900112.3V133 F134 M386 A387 M388 L392 T393 V394 L400V133-M390 HydrophobicContact CG1-CG 3.69Å; F134-M390 HydrophobicContact CD1-CE 3.93Å; F134-M390 HydrophobicContact CD1-CG 4.16Å; F134-M390 HydrophobicContact CD1-SD 4.39Å; F134-M390 HydrophobicContact CE1-CE 3.65Å; F134-M390 HydrophobicContact CE1-CG 4.37Å; F134-M390 HydrophobicContact CE1-SD 4.03Å; M386-M390 WeakPolarHBondContact O-CG 3.25Å; M386-M390 PolarHBondContact O-N 3.22Å; A387-M390 PolarHBondContact O-N 3.49Å; M388-M390 VanDerWaalsContact C-N 3.33Å; M388-M390 PolarHBondContact O-N 2.91Å; M390-L392 VanDerWaalsContact C-N 3.29Å; M390-L392 PolarHBondContact O-N 2.83Å; M390-T393 WeakPolarHBondContact CA-OG1 3.22Å; M390-T393 PolarHBondContact O-N 2.77Å; M390-T393 PolarHBondContact O-OG1 3.33Å; M390-T393 VanDerWaalsContact O-OG1 3.09Å; M390-V394 HydrophobicContact CE-CG2 4Å; M390-V394 PolarHBondContact O-N 3.06Å; M390-V394 VanDerWaalsContact O-N 3.14Å; M390-L400 HydrophobicContact CE-CD2 4.15Å
391A94.7Very high94.1Very high0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-62.2-32.9178.800000113.6G137 L140 V159 A387 M388 V389G137-A391 VanDerWaalsContact O-CB 3.32Å; G137-A391 WeakPolarHBondContact O-CB 3.06Å; L140-A391 HydrophobicContact CB-CB 4.09Å; V159-A391 HydrophobicContact CG1-CB 3.6Å; A387-A391 WeakPolarHBondContact O-CB 3.43Å; A387-A391 PolarHBondContact O-N 3.13Å; M388-A391 PolarHBondContact O-N 3.41Å; V389-A391 VanDerWaalsContact C-N 3.34Å; V389-A391 PolarHBondContact O-N 3.38Å
392L94Very high93.9Very high56 Ų5636.4 Ų36.429%0.29320%0.199SC..Hα-helixtrans-82.3-21.3177.3-68.7171.9000113.4D156 V159 I160 M388 V389 M390D156-L392 HydrophobicContact CB-CD2 3.95Å; V159-L392 HydrophobicContact CB-CD2 3.81Å; V159-L392 HydrophobicContact CB-CG 4.49Å; V159-L392 HydrophobicContact CG1-CD2 3.81Å; V159-L392 HydrophobicContact CG1-CG 3.95Å; V159-L392 HydrophobicContact CG2-CD2 4.44Å; I160-L392 HydrophobicContact CD1-CD1 4.48Å; I160-L392 HydrophobicContact CG1-CD1 4.12Å; M388-L392 HydrophobicContact CG-CD1 4.1Å; M388-L392 WeakPolarHBondContact O-CG 3.36Å; M388-L392 PolarHBondContact O-N 3.24Å; V389-L392 PolarHBondContact O-N 3.5Å; M390-L392 VanDerWaalsContact C-N 3.29Å; M390-L392 PolarHBondContact O-N 2.83Å
393T91.1Very high93.7Very high90 Ų9032.2 Ų32.255%0.55218%0.179SC*.Hα-helixtrans-97.3-18.4-175.756.10000114.2V389 M390V389-T393 HydrophobicContact CG1-CG2 4.23Å; V389-T393 WeakPolarHBondContact O-CB 3.42Å; V389-T393 VanDerWaalsContact O-CG2 3.25Å; V389-T393 WeakPolarHBondContact O-CG2 3.28Å; V389-T393 PolarHBondContact O-N 3.39Å; V389-T393 PolarHBondContact O-OG1 3.03Å; M390-T393 WeakPolarHBondContact CA-OG1 3.22Å; M390-T393 PolarHBondContact O-N 2.77Å; M390-T393 PolarHBondContact O-OG1 3.33Å; M390-T393 VanDerWaalsContact O-OG1 3.09Å
394V87.3Confident93.6Very high18 Ų1832 Ų3211%0.10918%0.177CC..  trans-121.6117.8-174.7-176.90000110.5M390 T396 L400M390-V394 HydrophobicContact CE-CG2 4Å; M390-V394 PolarHBondContact O-N 3.06Å; M390-V394 VanDerWaalsContact O-N 3.14Å; V394-T396 HydrophobicContact CG1-CG2 3.86Å; V394-T396 PolarHBondContact O-N 3.07Å; V394-L400 HydrophobicContact CB-CD1 3.96Å; V394-L400 HydrophobicContact CB-CD2 3.93Å; V394-L400 HydrophobicContact CB-CG 3.85Å; V394-L400 HydrophobicContact CG1-CD1 4.28Å; V394-L400 HydrophobicContact CG1-CD2 4.01Å; V394-L400 HydrophobicContact CG1-CG 3.71Å; V394-L400 HydrophobicContact CG2-CD2 3.87Å; V394-L400 HydrophobicContact CG2-CG 4.36Å
395D85.6Confident93.6Very high104 Ų10431.9 Ų31.956%0.55618%0.176SC*.SBendtrans-8319.6-174.3-67.1-48.2000115K312K312-D395 IonicContact NZ-OD1 2.63Å
396T91.7Very high93.5Very high31 Ų3128.9 Ų28.919%0.1916%0.157CC..  trans-136.2126.1175.5176.10000111.5E69 V394 G399 L400 L448E69-T396 WeakPolarHBondContact OE1-CA 3.33Å; E69-T396 WeakPolarHBondContact OE1-CB 3.45Å; E69-T396 PolarHBondContact OE1-OG1 3.2Å; V394-T396 HydrophobicContact CG1-CG2 3.86Å; V394-T396 PolarHBondContact O-N 3.07Å; T396-G399 PolarHBondContact OG1-N 2.89Å; T396-L400 PolarHBondContact O-N 3.25Å; T396-L448 HydrophobicContact CG2-CD2 3.79Å
397I92.4Very high93.5Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-74.9-47.5177.1-67.5159.8000108.6N65 E69 S141 A142 A145 K312 G399 L400 W401N65-I397 HydrophobicContact CB-CD1 3.94Å; N65-I397 HydrophobicContact CB-CG2 4.35Å; E69-I397 WeakPolarHBondContact OE2-CB 3.5Å; E69-I397 PolarHBondContact OE2-N 2.84Å; E69-I397 VanDerWaalsContact OE2-N 3.12Å; S141-I397 WeakPolarHBondContact OG-CG1 3.36Å; A142-I397 VanDerWaalsContact CA-CD1 3.47Å; A142-I397 HydrophobicContact CB-CD1 3.85Å; A142-I397 HydrophobicContact CB-CG1 4.26Å; A142-I397 HydrophobicContact CB-CG2 3.99Å; A145-I397 HydrophobicContact CB-CD1 4.19Å; K312-I397 HydrophobicContact CB-CD1 3.83Å; K312-I397 HydrophobicContact CB-CG1 4.14Å; K312-I397 WeakPolarHBondContact O-CD1 3.41Å; I397-G399 VanDerWaalsContact C-N 3.34Å; I397-G399 PolarHBondContact O-N 3.28Å; I397-L400 PolarHBondContact O-N 3.48Å; I397-W401 WeakPolarHBondContact O-CB 3.13Å; I397-W401 PolarHBondContact O-N 3.48Å
398Y93.2Very high93.5Very high18 Ų1826 Ų267%0.07114%0.144CC..Hα-helixtrans-61.9-41.8179-169.9-95.6000112G66 E69 I70 H78 A81 W401 F402G66-Y398 VanDerWaalsContact O-CD2 3.24Å; G66-Y398 WeakPolarHBondContact O-CD2 3.24Å; E69-Y398 PolarHBondContact OE2-N 3.33Å; I70-Y398 HydrophobicContact CB-CD1 4Å; I70-Y398 HydrophobicContact CB-CD2 3.86Å; I70-Y398 HydrophobicContact CB-CE1 4.2Å; I70-Y398 HydrophobicContact CB-CE2 4.03Å; I70-Y398 HydrophobicContact CB-CG 3.82Å; I70-Y398 HydrophobicContact CD1-CD1 3.89Å; I70-Y398 HydrophobicContact CD1-CE1 4.02Å; I70-Y398 HydrophobicContact CD1-CG 4.49Å; I70-Y398 HydrophobicContact CG1-CD1 3.94Å; I70-Y398 HydrophobicContact CG1-CE1 3.8Å; I70-Y398 HydrophobicContact CG1-CE2 4.37Å; I70-Y398 HydrophobicContact CG1-CG 4.28Å; I70-Y398 HydrophobicContact CG2-CD2 3.81Å; I70-Y398 HydrophobicContact CG2-CE2 3.66Å; I70-Y398 HydrophobicContact CG2-CG 4.3Å; H78-Y398 PolarHBondContact O-OH 2.97Å; A81-Y398 HydrophobicContact CB-CE2 3.92Å; A81-Y398 PolarHBondContact N-OH 3.24Å; Y398-W401 HydrophobicContact CD2-CE3 4.01Å; Y398-W401 HydrophobicContact CD2-CZ3 4.37Å; Y398-W401 HydrophobicContact CE2-CE3 4.08Å; Y398-W401 HydrophobicContact CE2-CZ3 4.11Å; Y398-W401 CarbonylContact O-C 3.41Å; Y398-W401 PolarHBondContact O-N 3.23Å; Y398-F402 HydrophobicContact CE1-CB 4.42Å; Y398-F402 WeakPolarHBondContact O-CB 3.45Å; Y398-F402 PolarHBondContact O-N 3.5Å
399G92.6Very high93.6Very high6 Ų624.2 Ų24.26%0.06214%0.135CC..Hα-helixtrans-61.7-45.9179.100000112.9T396 I397 W401 F402 I403T396-G399 PolarHBondContact OG1-N 2.89Å; I397-G399 VanDerWaalsContact C-N 3.34Å; I397-G399 PolarHBondContact O-N 3.28Å; G399-W401 VanDerWaalsContact C-N 3.31Å; G399-W401 PolarHBondContact O-N 3.28Å; G399-F402 PolarHBondContact O-N 2.95Å; G399-I403 WeakPolarHBondContact O-CG2 3.38Å; G399-I403 PolarHBondContact O-N 3.37Å
400L92.3Very high93.7Very high4 Ų420.8 Ų20.82%0.02111%0.114CC..Hα-helixtrans-61.1-39.7173.6-79.5177.6000112.2A138 M390 V394 T396 I397 F402 I403 C404A138-L400 HydrophobicContact CB-CB 3.58Å; M390-L400 HydrophobicContact CE-CD2 4.15Å; V394-L400 HydrophobicContact CB-CD1 3.96Å; V394-L400 HydrophobicContact CB-CD2 3.93Å; V394-L400 HydrophobicContact CB-CG 3.85Å; V394-L400 HydrophobicContact CG1-CD1 4.28Å; V394-L400 HydrophobicContact CG1-CD2 4.01Å; V394-L400 HydrophobicContact CG1-CG 3.71Å; V394-L400 HydrophobicContact CG2-CD2 3.87Å; V394-L400 HydrophobicContact CG2-CG 4.36Å; T396-L400 PolarHBondContact O-N 3.25Å; I397-L400 PolarHBondContact O-N 3.48Å; L400-F402 VanDerWaalsContact C-N 3.33Å; L400-I403 WeakPolarHBondContact O-CG2 3.27Å; L400-C404 PolarHBondContact O-N 3.02Å
401W94.2Very high93.9Very high1 Ų119.1 Ų19.10%0.00411%0.106CC..Hα-helixtrans-72.9-26.1179-173.544.8000113.6G62 Y63 A81 P82 Y85 W135 A138 I397 Y398 G399 C404G62-W401 VanDerWaalsContact C-CD2 3.5Å; G62-W401 VanDerWaalsContact C-CE3 3.41Å; G62-W401 WeakPolarHBondContact O-CZ3 3.28Å; Y63-W401 AromaticContact CD2-CH2 3.42Å; Y63-W401 HydrophobicContact CD2-CH2 3.42Å; Y63-W401 VanDerWaalsContact CD2-CH2 3.42Å; Y63-W401 AromaticContact CD2-CZ2 3.53Å; Y63-W401 HydrophobicContact CD2-CZ2 3.53Å; Y63-W401 HydrophobicContact CE2-CH2 4.15Å; Y63-W401 HydrophobicContact CE2-CZ2 4.43Å; Y63-W401 AromaticContact CG-CH2 3.96Å; Y63-W401 HydrophobicContact CG-CH2 3.96Å; Y63-W401 HydrophobicContact CG-CZ2 4.18Å; A81-W401 HydrophobicContact CB-CE3 3.85Å; A81-W401 HydrophobicContact CB-CH2 3.68Å; A81-W401 HydrophobicContact CB-CZ2 4.41Å; A81-W401 HydrophobicContact CB-CZ3 3.36Å; P82-W401 HydrophobicContact CG-CH2 4.11Å; P82-W401 HydrophobicContact CG-CZ3 4.3Å; Y85-W401 AromaticContact CD2-CE2 3.82Å; Y85-W401 AromaticContact CD2-CH2 3.85Å; Y85-W401 HydrophobicContact CD2-CH2 3.85Å; Y85-W401 AromaticContact CD2-CZ2 3.26Å; Y85-W401 HydrophobicContact CD2-CZ2 3.26Å; Y85-W401 HydrophobicContact CE2-CD2 4.15Å; Y85-W401 AromaticContact CE2-CE2 3.4Å; Y85-W401 HydrophobicContact CE2-CH2 4.09Å; Y85-W401 AromaticContact CE2-CZ2 3.37Å; Y85-W401 HydrophobicContact CE2-CZ2 3.37Å; Y85-W401 AromaticContact CE2-NE1 3.54Å; Y85-W401 PolarHBondContact OH-O 3.3Å; Y85-W401 VanDerWaalsContact OH-O 3.13Å; W135-W401 AromaticContact CD1-CD1 3.5Å; W135-W401 AromaticContact CD1-NE1 3.94Å; W135-W401 AromaticContact NE1-CD1 3.81Å; W135-W401 AromaticContact NE1-NE1 3.78Å; A138-W401 HydrophobicContact CB-CB 3.93Å; I397-W401 WeakPolarHBondContact O-CB 3.13Å; I397-W401 PolarHBondContact O-N 3.48Å; Y398-W401 HydrophobicContact CD2-CE3 4.01Å; Y398-W401 HydrophobicContact CD2-CZ3 4.37Å; Y398-W401 HydrophobicContact CE2-CE3 4.08Å; Y398-W401 HydrophobicContact CE2-CZ3 4.11Å; Y398-W401 CarbonylContact O-C 3.41Å; Y398-W401 PolarHBondContact O-N 3.23Å; G399-W401 VanDerWaalsContact C-N 3.31Å; G399-W401 PolarHBondContact O-N 3.28Å; W401-C404 PolarHBondContact O-SG 2.87Å
402F93.3Very high94Very high23 Ų2319.2 Ų19.210%0.10111%0.106CC..Hα-helixtrans-75.4-51.1173.6176.7-95.5000111.2L235 L236 Y398 G399 L400 C404 S405L235-F402 HydrophobicContact CD1-CZ 4.49Å; L235-F402 HydrophobicContact CD2-CE2 4.38Å; L235-F402 HydrophobicContact CD2-CZ 4.4Å; L236-F402 HydrophobicContact CD1-CD2 3.97Å; L236-F402 HydrophobicContact CD1-CE2 3.89Å; L236-F402 HydrophobicContact CD2-CD2 3.92Å; L236-F402 HydrophobicContact CD2-CE2 4.35Å; L236-F402 HydrophobicContact CG-CD2 4.13Å; L236-F402 HydrophobicContact CG-CE2 4.09Å; Y398-F402 HydrophobicContact CE1-CB 4.42Å; Y398-F402 WeakPolarHBondContact O-CB 3.45Å; Y398-F402 PolarHBondContact O-N 3.5Å; G399-F402 PolarHBondContact O-N 2.95Å; L400-F402 VanDerWaalsContact C-N 3.33Å; F402-C404 PolarHBondContact O-N 3.45Å; F402-S405 PolarHBondContact O-N 3.49Å
403I93.1Very high94.3Very high9 Ų917.2 Ų17.25%0.04610%0.096CC..Hα-helixtrans-68.9-19.8-175.9-162176.7000112.7F134 G399 L400 S405 D406 E446 L448 I449F134-I403 HydrophobicContact CB-CG2 4.36Å; F134-I403 HydrophobicContact CD2-CG2 3.86Å; F134-I403 HydrophobicContact CE2-CG2 4.41Å; F134-I403 HydrophobicContact CG-CG2 4.22Å; G399-I403 WeakPolarHBondContact O-CG2 3.38Å; G399-I403 PolarHBondContact O-N 3.37Å; L400-I403 WeakPolarHBondContact O-CG2 3.27Å; I403-S405 PolarHBondContact O-N 2.97Å; I403-S405 VanDerWaalsContact O-N 3.15Å; I403-D406 HydrophobicContact CG1-CB 4.19Å; I403-D406 WeakPolarHBondContact O-CB 3.22Å; I403-D406 PolarHBondContact O-N 3.1Å; I403-E446 HydrophobicContact CD1-CG 3.57Å; I403-E446 HydrophobicContact CG1-CG 4.49Å; I403-L448 HydrophobicContact CB-CD1 4.26Å; I403-I449 HydrophobicContact CD1-CG2 4.21Å
404C94.7Very high94.6Very high3 Ų313 Ų132%0.027%0.069CC..THydrogen-bonded Turntrans-56.4-33.3177.179.10000112.5Y85 G131 F134 W135 W243 L400 W401 F402 D406 V408Y85-C404 PolarHBondContact OH-SG 2.87Å; Y85-C404 VanDerWaalsContact OH-SG 3.42Å; G131-C404 VanDerWaalsContact CA-O 3.25Å; G131-C404 WeakPolarHBondContact CA-O 3.39Å; G131-C404 WeakPolarHBondContact O-CB 3.21Å; F134-C404 HydrophobicContact CB-CB 3.69Å; W135-C404 HydrophobicContact CB-CB 3.98Å; W243-C404 HydrophobicContact CH2-CB 3.78Å; W243-C404 VanDerWaalsContact CH2-O 3.27Å; W243-C404 WeakPolarHBondContact CH2-O 3.45Å; W243-C404 WeakPolarHBondContact CH2-SG 3.27Å; W243-C404 HydrophobicContact CZ2-CB 4.37Å; L400-C404 PolarHBondContact O-N 3.02Å; W401-C404 PolarHBondContact O-SG 2.87Å; F402-C404 PolarHBondContact O-N 3.45Å; C404-D406 VanDerWaalsContact C-N 3.32Å; C404-D406 PolarHBondContact O-N 2.85Å; C404-V408 WeakPolarHBondContact O-CG2 3.33Å
405S95.6Very high95.1Very high0 Ų012.1 Ų12.10%06%0.064CC..THydrogen-bonded Turntrans-83.1-2.1-179.9-78.90000115.4Y85 W243 F402 I403 Y409Y85-S405 VanDerWaalsContact CE1-OG 3.25Å; Y85-S405 WeakPolarHBondContact CE1-OG 3.38Å; Y85-S405 PolarHBondContact OH-OG 2.84Å; W243-S405 WeakPolarHBondContact CZ3-OG 3.31Å; F402-S405 PolarHBondContact O-N 3.49Å; I403-S405 PolarHBondContact O-N 2.97Å; I403-S405 VanDerWaalsContact O-N 3.15Å; S405-Y409 WeakPolarHBondContact O-CB 3.49Å; S405-Y409 PolarHBondContact O-N 2.81Å
406D95.9Very high95.7Very high8 Ų87.1 Ų7.14%0.0434%0.038CC..Hα-helixtrans-74.1-60.8-164.6-174.830.1000113.8L235 I403 C404 V408 Y409 V410 R441 K472L235-D406 HydrophobicContact CD1-CB 4.15Å; L235-D406 WeakPolarHBondContact CD1-OD1 3.38Å; I403-D406 HydrophobicContact CG1-CB 4.19Å; I403-D406 WeakPolarHBondContact O-CB 3.22Å; I403-D406 PolarHBondContact O-N 3.1Å; C404-D406 VanDerWaalsContact C-N 3.32Å; C404-D406 PolarHBondContact O-N 2.85Å; D406-V408 PolarHBondContact O-N 3.39Å; D406-Y409 PolarHBondContact O-N 2.79Å; D406-V410 PolarHBondContact O-N 2.94Å; D406-R441 IonicContact OD1-CZ 3.6Å; D406-R441 IonicContact OD1-NE 3.96Å; D406-R441 PolarHBondContact OD1-NE 3.37Å; D406-R441 IonicContact OD1-NH2 2.74Å; D406-R441 IonicContact OD2-CZ 2.61Å; D406-R441 IonicContact OD2-NE 3.64Å; D406-R441 PolarHBondContact OD2-NE 3.5Å; D406-R441 IonicContact OD2-NH2 3.77Å; D406-R441 PolarHBondContact OD2-NH2 3.35Å; D406-K472 IonicContact OD1-NZ 3.21Å
407L96.5Very high96Very high27 Ų278.2 Ų8.214%0.1414%0.042CC..Hα-helixtrans-67.7-28.5174.1-65.1-177.3000111.9P127 M130 Y409 I411 L438 R441P127-L407 HydrophobicContact CB-CB 3.82Å; M130-L407 HydrophobicContact CE-CD1 3.53Å; M130-L407 HydrophobicContact SD-CD1 3.56Å; M130-L407 VanDerWaalsContact SD-CD1 3.56Å; L407-Y409 VanDerWaalsContact C-N 3.35Å; L407-I411 HydrophobicContact CD2-CD1 4.25Å; L407-I411 VanDerWaalsContact O-CB 3.26Å; L407-I411 WeakPolarHBondContact O-CB 3.25Å; L407-I411 PolarHBondContact O-N 2.84Å; L407-L438 HydrophobicContact CD2-CD1 4.21Å; L407-R441 HydrophobicContact CD2-CG 4.12Å
408V98Very high96.3Very high2 Ų28.3 Ų8.31%0.0124%0.043CC..Iπ-helixtrans-63.5-43.1175.4179.80000110.3G239 P242 W243 C404 D406 L412 F413G239-V408 WeakPolarHBondContact O-CG1 3.18Å; P242-V408 HydrophobicContact CB-CG1 4.47Å; P242-V408 HydrophobicContact CG-CG1 3.55Å; W243-V408 HydrophobicContact CE3-CB 4.44Å; W243-V408 HydrophobicContact CE3-CG1 3.84Å; W243-V408 HydrophobicContact CE3-CG2 4.36Å; W243-V408 HydrophobicContact CH2-CG2 4.21Å; W243-V408 HydrophobicContact CZ3-CB 4Å; W243-V408 HydrophobicContact CZ3-CG1 3.91Å; W243-V408 HydrophobicContact CZ3-CG2 3.78Å; C404-V408 WeakPolarHBondContact O-CG2 3.33Å; D406-V408 PolarHBondContact O-N 3.39Å; V408-L412 HydrophobicContact CB-CD1 4.48Å; V408-L412 HydrophobicContact CG1-CB 4.38Å; V408-L412 HydrophobicContact CG1-CD1 4.19Å; V408-L412 HydrophobicContact CG2-CD1 4.29Å; V408-L412 WeakPolarHBondContact O-CA 3.41Å; V408-L412 VanDerWaalsContact O-CB 3.31Å; V408-L412 WeakPolarHBondContact O-CB 3.48Å; V408-L412 PolarHBondContact O-N 3.39Å; V408-F413 PolarHBondContact O-N 2.87Å
409Y98.4Very high96.4Very high1 Ų18 Ų80%0.0044%0.043CC..Iπ-helixtrans-66.5-51.6174.5173.6-128.3000112.6L235 F238 S405 D406 L407 I411 F413 P414 K472 T473 M476L235-Y409 HydrophobicContact CB-CD1 3.69Å; L235-Y409 HydrophobicContact CB-CE1 4.07Å; L235-Y409 HydrophobicContact CB-CG 4.18Å; L235-Y409 HydrophobicContact CD1-CD1 4.33Å; L235-Y409 HydrophobicContact CG-CD1 3.94Å; L235-Y409 HydrophobicContact CG-CG 4.26Å; F238-Y409 HydrophobicContact CB-CD2 3.62Å; F238-Y409 HydrophobicContact CB-CE2 3.57Å; F238-Y409 HydrophobicContact CD2-CE2 4.22Å; F238-Y409 HydrophobicContact CG-CE2 4.33Å; S405-Y409 WeakPolarHBondContact O-CB 3.49Å; S405-Y409 PolarHBondContact O-N 2.81Å; D406-Y409 PolarHBondContact O-N 2.79Å; L407-Y409 VanDerWaalsContact C-N 3.35Å; Y409-I411 PolarHBondContact O-N 3.47Å; Y409-F413 WeakPolarHBondContact O-CB 3.44Å; Y409-P414 WeakPolarHBondContact O-CD 3.35Å; Y409-K472 HydrophobicContact CE1-CB 4.4Å; Y409-T473 WeakPolarHBondContact OH-CA 3.48Å; Y409-T473 PolarHBondContact OH-OG1 3.27Å; Y409-T473 VanDerWaalsContact OH-OG1 3.13Å; Y409-M476 HydrophobicContact CD1-CB 4.41Å; Y409-M476 HydrophobicContact CD2-CG 4.08Å; Y409-M476 HydrophobicContact CE1-CB 3.98Å; Y409-M476 HydrophobicContact CE1-CG 4.41Å; Y409-M476 HydrophobicContact CE2-CB 4.18Å; Y409-M476 HydrophobicContact CE2-CE 3.9Å; Y409-M476 HydrophobicContact CE2-CG 3.7Å; Y409-M476 HydrophobicContact CE2-SD 4.48Å; Y409-M476 WeakPolarHBondContact O-CG 3.45Å; Y409-M476 WeakPolarHBondContact OH-CE 3.45Å
410V98.2Very high96.5Very high0 Ų09.1 Ų9.10%05%0.048CC..Iπ-helixtrans-71.7-35.1-172.6175.10000112.5D406 P414 G437 R441 A475 S479D406-V410 PolarHBondContact O-N 2.94Å; V410-P414 WeakPolarHBondContact O-CG 3.49Å; V410-G437 WeakPolarHBondContact CG1-O 3.18Å; V410-R441 HydrophobicContact CG1-CB 4.11Å; V410-R441 HydrophobicContact CG2-CB 4.42Å; V410-R441 HydrophobicContact CG2-CG 4.33Å; V410-A475 HydrophobicContact CG1-CB 3.72Å; V410-A475 HydrophobicContact CG2-CB 4.34Å; V410-S479 WeakPolarHBondContact O-CB 3.48Å; V410-S479 PolarHBondContact O-OG 3.27Å
411I98.3Very high96.7Very high1 Ų113 Ų131%0.0056%0.063CC..Iπ-helixtrans-106.9-54.1-172.4-58.1176.2000111.1L124 P127 L407 Y409 P414 Q415 Y434 L438L124-I411 HydrophobicContact CD2-CG2 4.14Å; P127-I411 HydrophobicContact CG-CB 4.48Å; P127-I411 HydrophobicContact CG-CG2 4.15Å; L407-I411 HydrophobicContact CD2-CD1 4.25Å; L407-I411 VanDerWaalsContact O-CB 3.26Å; L407-I411 WeakPolarHBondContact O-CB 3.25Å; L407-I411 PolarHBondContact O-N 2.84Å; Y409-I411 PolarHBondContact O-N 3.47Å; I411-P414 WeakPolarHBondContact O-CD 3.25Å; I411-P414 WeakPolarHBondContact O-CG 3.44Å; I411-Q415 WeakPolarHBondContact O-CG 3.16Å; I411-Y434 HydrophobicContact CD1-CE2 4.36Å; I411-Y434 HydrophobicContact CG2-CD2 3.4Å; I411-Y434 HydrophobicContact CG2-CE2 3.84Å; I411-Y434 HydrophobicContact CG2-CG 4.15Å; I411-L438 HydrophobicContact CD1-CB 4.13Å; I411-L438 HydrophobicContact CD1-CD1 4.01Å
412L98.2Very high96.7Very high1 Ų114.7 Ų14.71%0.0057%0.072CC..Iπ-helixtrans-78.4-37.9-169.3-66.5177000113.7M108 L124 P127 A128 P242 V408 Q415 L416M108-L412 HydrophobicContact CE-CD1 4.43Å; L124-L412 HydrophobicContact CB-CD2 4.01Å; L124-L412 HydrophobicContact CD2-CD2 3.9Å; L124-L412 WeakPolarHBondContact O-CD2 3.48Å; P127-L412 HydrophobicContact CB-CD1 4.4Å; P127-L412 HydrophobicContact CB-CG 4.34Å; P127-L412 HydrophobicContact CG-CD1 4.3Å; P127-L412 HydrophobicContact CG-CD2 4.03Å; P127-L412 HydrophobicContact CG-CG 4Å; A128-L412 HydrophobicContact CB-CD1 3.7Å; P242-L412 HydrophobicContact CB-CB 3.88Å; P242-L412 HydrophobicContact CG-CB 3.88Å; V408-L412 HydrophobicContact CB-CD1 4.48Å; V408-L412 HydrophobicContact CG1-CB 4.38Å; V408-L412 HydrophobicContact CG1-CD1 4.19Å; V408-L412 HydrophobicContact CG2-CD1 4.29Å; V408-L412 WeakPolarHBondContact O-CA 3.41Å; V408-L412 VanDerWaalsContact O-CB 3.31Å; V408-L412 WeakPolarHBondContact O-CB 3.48Å; V408-L412 PolarHBondContact O-N 3.39Å; L412-Q415 WeakPolarHBondContact O-CB 3.37Å; L412-Q415 PolarHBondContact O-N 3.5Å; L412-L416 WeakPolarHBondContact O-CB 3.5Å; L412-L416 PolarHBondContact O-N 2.91Å
413F98.6Very high96.5Very high15 Ų1518.4 Ų18.47%0.06610%0.1CC..Hα-helixtrans-58.6-51.4-179.8177-108.2000113.5F238 I241 P242 V408 Y409 Q415 L416 L417 M476F238-F413 HydrophobicContact CB-CD1 3.93Å; F238-F413 HydrophobicContact CB-CD2 4.06Å; F238-F413 HydrophobicContact CB-CE1 3.95Å; F238-F413 HydrophobicContact CB-CE2 4.09Å; F238-F413 HydrophobicContact CB-CG 3.98Å; F238-F413 HydrophobicContact CB-CZ 4.04Å; F238-F413 HydrophobicContact CD1-CD2 4.41Å; F238-F413 AromaticContact CD1-CE1 3.84Å; F238-F413 HydrophobicContact CD1-CE1 3.84Å; F238-F413 AromaticContact CD1-CE2 3.61Å; F238-F413 HydrophobicContact CD1-CE2 3.61Å; F238-F413 AromaticContact CD1-CZ 3.27Å; F238-F413 HydrophobicContact CD1-CZ 3.27Å; F238-F413 HydrophobicContact CE1-CE2 4.49Å; F238-F413 AromaticContact CE1-CZ 3.92Å; F238-F413 HydrophobicContact CE1-CZ 3.92Å; F238-F413 HydrophobicContact CG-CD1 4.43Å; F238-F413 AromaticContact CG-CE1 3.95Å; F238-F413 HydrophobicContact CG-CE1 3.95Å; F238-F413 HydrophobicContact CG-CE2 4.24Å; F238-F413 AromaticContact CG-CZ 3.85Å; F238-F413 HydrophobicContact CG-CZ 3.85Å; F238-F413 WeakPolarHBondContact O-CD2 3.24Å; I241-F413 HydrophobicContact CB-CD2 4.46Å; I241-F413 HydrophobicContact CD1-CE2 3.99Å; P242-F413 HydrophobicContact CG-CB 4.04Å; V408-F413 PolarHBondContact O-N 2.87Å; Y409-F413 WeakPolarHBondContact O-CB 3.44Å; F413-Q415 VanDerWaalsContact C-N 3.25Å; F413-Q415 PolarHBondContact O-N 2.77Å; F413-L416 PolarHBondContact O-N 3.45Å; F413-L417 PolarHBondContact O-N 2.82Å; F413-M476 HydrophobicContact CD1-CG 4.33Å; F413-M476 HydrophobicContact CD1-SD 4.05Å; F413-M476 HydrophobicContact CE1-SD 4.36Å
414P98.5Very high96.4Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-64.7-33.7179.126-35.3000112Y409 V410 I411 L417 C418 M476 S479 L480 I483Y409-P414 WeakPolarHBondContact O-CD 3.35Å; V410-P414 WeakPolarHBondContact O-CG 3.49Å; I411-P414 WeakPolarHBondContact O-CD 3.25Å; I411-P414 WeakPolarHBondContact O-CG 3.44Å; P414-L417 PolarHBondContact O-N 3.43Å; P414-C418 PolarHBondContact O-N 3.42Å; P414-C418 PolarHBondContact O-SG 3.07Å; P414-M476 HydrophobicContact CG-CG 4.46Å; P414-S479 WeakPolarHBondContact CG-OG 3.35Å; P414-L480 HydrophobicContact CB-CB 3.69Å; P414-L480 HydrophobicContact CB-CD1 3.87Å; P414-L480 HydrophobicContact CB-CG 4.32Å; P414-I483 HydrophobicContact CB-CD1 4.04Å; P414-I483 HydrophobicContact CG-CD1 4.39Å
415Q98.3Very high96.4Very high0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-65.6-42.6174.9-60.8-87.90.500111.5F112 L124 I411 L412 F413 C418 V419 S430 I483F112-Q415 HydrophobicContact CD1-CB 4.23Å; F112-Q415 HydrophobicContact CE1-CB 3.57Å; L124-Q415 HydrophobicContact CD2-CB 4.47Å; L124-Q415 HydrophobicContact CD2-CG 3.9Å; I411-Q415 WeakPolarHBondContact O-CG 3.16Å; L412-Q415 WeakPolarHBondContact O-CB 3.37Å; L412-Q415 PolarHBondContact O-N 3.5Å; F413-Q415 VanDerWaalsContact C-N 3.25Å; F413-Q415 PolarHBondContact O-N 2.77Å; Q415-C418 PolarHBondContact O-N 3.16Å; Q415-V419 WeakPolarHBondContact O-CB 3.33Å; Q415-V419 PolarHBondContact O-N 2.96Å; Q415-S430 PolarHBondContact NE2-O 2.59Å; Q415-S430 PolarHBondContact NE2-OG 2.99Å; Q415-S430 VanDerWaalsContact OE1-CB 3.3Å; Q415-S430 PolarHBondContact OE1-OG 3.29Å; Q415-I483 HydrophobicContact CG-CD1 3.82Å
416L98.1Very high96.4Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-62.8-43.9177.3-177.464.3000110.9F96 F112 I241 P242 F247 L412 F413 C418 V419 V420F96-L416 HydrophobicContact CD1-CD1 4.45Å; F96-L416 HydrophobicContact CD1-CD2 3.98Å; F96-L416 HydrophobicContact CD1-CG 3.96Å; F96-L416 HydrophobicContact CE1-CD2 3.95Å; F96-L416 HydrophobicContact CE1-CG 3.7Å; F96-L416 HydrophobicContact CG-CD2 4.27Å; F96-L416 HydrophobicContact CZ-CD2 4.23Å; F96-L416 HydrophobicContact CZ-CG 4.28Å; F112-L416 HydrophobicContact CE1-CB 4.48Å; F112-L416 HydrophobicContact CE2-CD1 3.91Å; F112-L416 HydrophobicContact CZ-CB 3.83Å; F112-L416 HydrophobicContact CZ-CD1 3.81Å; F112-L416 HydrophobicContact CZ-CG 4.43Å; I241-L416 HydrophobicContact CG2-CD2 4.02Å; P242-L416 HydrophobicContact CB-CB 4.24Å; P242-L416 HydrophobicContact CB-CD2 3.76Å; F247-L416 HydrophobicContact CE2-CD2 3.89Å; F247-L416 HydrophobicContact CZ-CD2 3.99Å; L412-L416 WeakPolarHBondContact O-CB 3.5Å; L412-L416 PolarHBondContact O-N 2.91Å; F413-L416 PolarHBondContact O-N 3.45Å; L416-C418 PolarHBondContact O-N 3.31Å; L416-V419 HydrophobicContact CD1-CG1 4.28Å; L416-V419 WeakPolarHBondContact O-CG1 3.41Å; L416-V419 PolarHBondContact O-N 3.16Å; L416-V420 HydrophobicContact CD1-CG2 3.98Å; L416-V420 WeakPolarHBondContact O-CB 3.28Å; L416-V420 WeakPolarHBondContact O-CG2 3.32Å; L416-V420 PolarHBondContact O-N 3.11Å; L416-V420 VanDerWaalsContact O-N 3.12Å
417L97.8Very high96.4Very high53 Ų5322.6 Ų22.628%0.27712%0.12SC..Hα-helixtrans-59.1-50.1177.2-172.766000110.7F96 F413 P414 Y421 L480F96-L417 HydrophobicContact CZ-CD1 4.16Å; F413-L417 PolarHBondContact O-N 2.82Å; P414-L417 PolarHBondContact O-N 3.43Å; L417-Y421 HydrophobicContact CD1-CD2 3.89Å; L417-Y421 HydrophobicContact CD1-CE2 4.27Å; L417-Y421 WeakPolarHBondContact O-CB 3.25Å; L417-Y421 PolarHBondContact O-N 3.41Å; L417-L480 HydrophobicContact CD2-CD1 4.06Å; L417-L480 HydrophobicContact CD2-CD2 4.11Å
418C98Very high96.4Very high3 Ų323 Ų232%0.0212%0.119CC..Hα-helixtrans-67.1-39.2179.4-70.90000113.2K115 P414 Q415 L416 V420 M422 A425 I483K115-C418 PolarHBondContact NZ-O 3.29Å; K115-C418 VanDerWaalsContact NZ-O 3.15Å; P414-C418 PolarHBondContact O-N 3.42Å; P414-C418 PolarHBondContact O-SG 3.07Å; Q415-C418 PolarHBondContact O-N 3.16Å; L416-C418 PolarHBondContact O-N 3.31Å; C418-V420 VanDerWaalsContact C-N 3.33Å; C418-V420 PolarHBondContact O-N 2.83Å; C418-M422 HydrophobicContact CB-CB 4.49Å; C418-M422 WeakPolarHBondContact O-CB 3.29Å; C418-M422 PolarHBondContact O-N 3.44Å; C418-A425 HydrophobicContact CB-CB 3.99Å; C418-I483 HydrophobicContact CB-CG2 3.8Å
419V95.8Very high96.3Very high11 Ų1122.9 Ų22.97%0.06712%0.119CC..Hα-helixtrans-67.1-38.2-177.385.20000111.1P111 F112 K115 Y116 Q415 L416P111-V419 HydrophobicContact CB-CG1 3.94Å; P111-V419 HydrophobicContact CB-CG2 4.22Å; P111-V419 HydrophobicContact CG-CG1 4.27Å; P111-V419 VanDerWaalsContact O-CG2 3.32Å; P111-V419 WeakPolarHBondContact O-CG2 3.42Å; F112-V419 HydrophobicContact CD1-CB 4.37Å; F112-V419 HydrophobicContact CD1-CG1 4.24Å; F112-V419 HydrophobicContact CD2-CG1 4.42Å; F112-V419 HydrophobicContact CE1-CG1 4.13Å; F112-V419 HydrophobicContact CE2-CG1 4.34Å; F112-V419 HydrophobicContact CG-CG1 4.41Å; F112-V419 HydrophobicContact CZ-CG1 4.21Å; K115-V419 HydrophobicContact CB-CG2 3.63Å; K115-V419 HydrophobicContact CD-CB 4.27Å; K115-V419 HydrophobicContact CD-CG2 3.48Å; K115-V419 VanDerWaalsContact CD-CG2 3.48Å; K115-V419 HydrophobicContact CG-CG2 4.2Å; K115-V419 PolarHBondContact NZ-O 3.25Å; Y116-V419 HydrophobicContact CE2-CB 4.23Å; Y116-V419 HydrophobicContact CE2-CG2 4.09Å; Q415-V419 WeakPolarHBondContact O-CB 3.33Å; Q415-V419 PolarHBondContact O-N 2.96Å; L416-V419 HydrophobicContact CD1-CG1 4.28Å; L416-V419 WeakPolarHBondContact O-CG1 3.41Å; L416-V419 PolarHBondContact O-N 3.16Å
420V95.1Very high96.3Very high29 Ų2922.8 Ų22.818%0.17612%0.119CC..Hα-helixtrans-84.1-36.5-177.3175.30000113.1F96 R99 M100 L416 C418F96-V420 HydrophobicContact CD1-CB 4.32Å; F96-V420 HydrophobicContact CD1-CG1 4.24Å; F96-V420 HydrophobicContact CD1-CG2 4.12Å; F96-V420 HydrophobicContact CE1-CB 4.26Å; F96-V420 HydrophobicContact CE1-CG1 4.49Å; F96-V420 HydrophobicContact CE1-CG2 4.33Å; R99-V420 HydrophobicContact CB-CG1 4.25Å; R99-V420 PolarHBondContact NH1-O 3.12Å; M100-V420 HydrophobicContact SD-CG2 4.18Å; L416-V420 HydrophobicContact CD1-CG2 3.98Å; L416-V420 WeakPolarHBondContact O-CB 3.28Å; L416-V420 WeakPolarHBondContact O-CG2 3.32Å; L416-V420 PolarHBondContact O-N 3.11Å; L416-V420 VanDerWaalsContact O-N 3.12Å; C418-V420 VanDerWaalsContact C-N 3.33Å; C418-V420 PolarHBondContact O-N 2.83Å
421Y95.6Very high96.3Very high87 Ų8725.5 Ų25.534%0.34113%0.133SC..Hα-helixtrans-110.4-22.8-170.5-69.1-86.2000115.4L95 F96 R99 L417L95-Y421 VanDerWaalsContact CA-OH 3.31Å; L95-Y421 WeakPolarHBondContact CA-OH 3.47Å; L95-Y421 WeakPolarHBondContact CB-OH 3.47Å; L95-Y421 PolarHBondContact O-OH 3.43Å; F96-Y421 HydrophobicContact CD1-CE2 4.06Å; F96-Y421 HydrophobicContact CE1-CD2 4.14Å; F96-Y421 AromaticContact CE1-CE2 3.58Å; F96-Y421 HydrophobicContact CE1-CE2 3.58Å; F96-Y421 HydrophobicContact CZ-CE2 4.03Å; R99-Y421 VanDerWaalsContact CZ-CD1 3.48Å; L417-Y421 HydrophobicContact CD1-CD2 3.89Å; L417-Y421 HydrophobicContact CD1-CE2 4.27Å; L417-Y421 WeakPolarHBondContact O-CB 3.25Å; L417-Y421 PolarHBondContact O-N 3.41Å
422M94.7Very high96.3Very high36 Ų3627.8 Ų27.818%0.17715%0.148CC..  trans-106.1100.7-174.7179.7-173.7171.500111K115 C418 K424 A425 I484 W488K115-M422 WeakPolarHBondContact CE-O 3.33Å; K115-M422 PolarHBondContact NZ-O 2.88Å; C418-M422 HydrophobicContact CB-CB 4.49Å; C418-M422 WeakPolarHBondContact O-CB 3.29Å; C418-M422 PolarHBondContact O-N 3.44Å; M422-K424 HydrophobicContact CE-CB 4Å; M422-K424 PolarHBondContact O-N 2.95Å; M422-K424 VanDerWaalsContact O-N 3.09Å; M422-A425 HydrophobicContact CB-CB 4.24Å; M422-A425 HydrophobicContact CG-CB 4.22Å; M422-A425 WeakPolarHBondContact O-CB 3.41Å; M422-A425 PolarHBondContact O-N 3.23Å; M422-A425 HydrophobicContact SD-CB 4.12Å; M422-I484 HydrophobicContact CE-CG2 4.42Å; M422-I484 HydrophobicContact SD-CB 4.49Å; M422-I484 HydrophobicContact SD-CG1 4.09Å; M422-W488 HydrophobicContact CE-CB 4.41Å
423S89Confident96.4Very high101 Ų10127.8 Ų27.871%0.70615%0.148SC*.THydrogen-bonded Turntrans-52.7-35.5-178.757.70000114.2A425S423-A425 PolarHBondContact O-N 3.09Å
424K91.9Very high96.3Very high86 Ų8628.1 Ų28.137%0.37415%0.149SC..THydrogen-bonded Turntrans-80.8-3.7-179-64.5-173.9175.9-164.50115.5M422 N426M422-K424 HydrophobicContact CE-CB 4Å; M422-K424 PolarHBondContact O-N 2.95Å; M422-K424 VanDerWaalsContact O-N 3.09Å; K424-N426 PolarHBondContact O-N 3.28Å
425A94.5Very high96.3Very high6 Ų631.2 Ų31.25%0.0517%0.168CC..  trans-61.7132.7179.400000110.8K115 Y116 C418 M422 S423K115-A425 HydrophobicContact CD-CB 4.22Å; K115-A425 VanDerWaalsContact CE-O 3.23Å; K115-A425 WeakPolarHBondContact CE-O 3.49Å; Y116-A425 HydrophobicContact CE1-CB 4.08Å; C418-A425 HydrophobicContact CB-CB 3.99Å; M422-A425 HydrophobicContact CB-CB 4.24Å; M422-A425 HydrophobicContact CG-CB 4.22Å; M422-A425 WeakPolarHBondContact O-CB 3.41Å; M422-A425 PolarHBondContact O-N 3.23Å; M422-A425 HydrophobicContact SD-CB 4.12Å; S423-A425 PolarHBondContact O-N 3.09Å
426N94.9Very high96.3Very high7 Ų732.9 Ų32.94%0.03718%0.178CC..  trans-139.8175.5-173.96742000112.7K424 Y428 G429 S430 S487 T490K424-N426 PolarHBondContact O-N 3.28Å; N426-Y428 VanDerWaalsContact C-N 3.35Å; N426-Y428 PolarHBondContact O-N 2.86Å; N426-Y428 PolarHBondContact OD1-N 3.22Å; N426-G429 PolarHBondContact O-N 2.9Å; N426-G429 PolarHBondContact OD1-N 3.17Å; N426-G429 VanDerWaalsContact OD1-N 3.16Å; N426-S430 WeakPolarHBondContact O-CB 3.32Å; N426-S430 PolarHBondContact O-N 3.28Å; N426-S487 PolarHBondContact N-OG 3.26Å; N426-S487 WeakPolarHBondContact ND2-CA 3.27Å; N426-S487 PolarHBondContact ND2-O 3.35Å; N426-T490 PolarHBondContact ND2-OG1 3.1Å; N426-T490 PolarHBondContact OD1-OG1 2.98Å
427T95.7Very high96.3Very high9 Ų932.9 Ų32.96%0.05518%0.178CC..Hα-helixtrans-64.8-34.1-173.4-500000113.2Y116 M120 S430 L431 F506Y116-T427 WeakPolarHBondContact CA-OG1 3.46Å; Y116-T427 PolarHBondContact O-OG1 3.46Å; M120-T427 HydrophobicContact CB-CG2 4.06Å; M120-T427 HydrophobicContact CG-CG2 4.4Å; T427-S430 PolarHBondContact O-N 3.16Å; T427-L431 WeakPolarHBondContact O-CB 3.43Å; T427-L431 PolarHBondContact O-N 2.9Å; T427-F506 HydrophobicContact CG2-CB 4.2Å; T427-F506 HydrophobicContact CG2-CD1 4.14Å; T427-F506 HydrophobicContact CG2-CD2 3.94Å; T427-F506 HydrophobicContact CG2-CE2 4.4Å; T427-F506 HydrophobicContact CG2-CG 3.84Å
428Y96.2Very high96.3Very high34 Ų3432.6 Ų32.613%0.13318%0.176CC..Hα-helixtrans-62.4-50176.2-57.3-78.6000111.1N426 S430 L431 C432 T490 L494 D504 V505 F506 C508 V509N426-Y428 VanDerWaalsContact C-N 3.35Å; N426-Y428 PolarHBondContact O-N 2.86Å; N426-Y428 PolarHBondContact OD1-N 3.22Å; Y428-S430 VanDerWaalsContact C-N 3.32Å; Y428-S430 PolarHBondContact O-N 3.47Å; Y428-L431 PolarHBondContact O-N 3.39Å; Y428-C432 PolarHBondContact O-N 3.42Å; Y428-C432 PolarHBondContact O-SG 2.95Å; Y428-C432 VanDerWaalsContact O-SG 3.37Å; Y428-T490 HydrophobicContact CD2-CG2 4.04Å; Y428-T490 HydrophobicContact CG-CG2 3.96Å; Y428-L494 HydrophobicContact CE2-CD1 4.35Å; Y428-D504 WeakPolarHBondContact CE2-OD1 3.23Å; Y428-D504 WeakPolarHBondContact OH-CA 3.29Å; Y428-D504 PolarHBondContact OH-OD1 3.06Å; Y428-V505 PolarHBondContact OH-N 3.44Å; Y428-F506 AromaticContact CD1-CD2 3.35Å; Y428-F506 HydrophobicContact CD1-CD2 3.35Å; Y428-F506 AromaticContact CD1-CE2 3.65Å; Y428-F506 HydrophobicContact CD1-CE2 3.65Å; Y428-F506 HydrophobicContact CD2-CD2 4.41Å; Y428-F506 HydrophobicContact CE1-CB 4.34Å; Y428-F506 AromaticContact CE1-CD2 3.22Å; Y428-F506 HydrophobicContact CE1-CD2 3.22Å; Y428-F506 AromaticContact CE1-CE2 3.78Å; Y428-F506 HydrophobicContact CE1-CE2 3.78Å; Y428-F506 HydrophobicContact CE1-CG 4.11Å; Y428-F506 HydrophobicContact CE2-CB 4.38Å; Y428-F506 HydrophobicContact CE2-CD2 4.32Å; Y428-F506 AromaticContact CG-CD2 3.94Å; Y428-F506 HydrophobicContact CG-CD2 3.94Å; Y428-F506 HydrophobicContact CG-CE2 4.45Å; Y428-F506 AromaticContact CZ-CD2 3.72Å; Y428-F506 PolarHBondContact OH-N 3.28Å; Y428-C508 WeakPolarHBondContact CE2-SG 3.45Å; Y428-V509 HydrophobicContact CE2-CG2 4.32Å
429G97.7Very high96.3Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-64-39.8177.600000112.3N426 L431 G433 I483 S487N426-G429 PolarHBondContact O-N 2.9Å; N426-G429 PolarHBondContact OD1-N 3.17Å; N426-G429 VanDerWaalsContact OD1-N 3.16Å; G429-L431 PolarHBondContact O-N 3.49Å; G429-G433 PolarHBondContact O-N 3.34Å; G429-I483 WeakPolarHBondContact O-CA 3.44Å; G429-I483 WeakPolarHBondContact O-CG1 3.3Å; G429-S487 WeakPolarHBondContact CA-OG 3.22Å
430S98.1Very high96.3Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-58-48.5174.6-172.70000112Y116 M120 Q415 N426 T427 Y428 G433 Y434Y116-S430 WeakPolarHBondContact CD2-OG 3.33Å; M120-S430 WeakPolarHBondContact CE-OG 3.31Å; M120-S430 WeakPolarHBondContact CG-OG 3.45Å; Q415-S430 PolarHBondContact NE2-O 2.59Å; Q415-S430 PolarHBondContact NE2-OG 2.99Å; Q415-S430 VanDerWaalsContact OE1-CB 3.3Å; Q415-S430 PolarHBondContact OE1-OG 3.29Å; N426-S430 WeakPolarHBondContact O-CB 3.32Å; N426-S430 PolarHBondContact O-N 3.28Å; T427-S430 PolarHBondContact O-N 3.16Å; Y428-S430 VanDerWaalsContact C-N 3.32Å; Y428-S430 PolarHBondContact O-N 3.47Å; S430-G433 PolarHBondContact O-N 2.97Å; S430-Y434 WeakPolarHBondContact O-CB 3.5Å; S430-Y434 PolarHBondContact O-N 3.34Å
431L98.1Very high96.4Very high56 Ų5638.7 Ų38.729%0.29320%0.203SC..Hα-helixtrans-66-46.8-179.8-178.361.7000112.1M120 L123 T427 Y428 G429 G433 Y434 V435 F506M120-L431 HydrophobicContact SD-CB 4.08Å; M120-L431 HydrophobicContact SD-CD1 4.28Å; L123-L431 HydrophobicContact CD1-CD1 4.01Å; T427-L431 WeakPolarHBondContact O-CB 3.43Å; T427-L431 PolarHBondContact O-N 2.9Å; Y428-L431 PolarHBondContact O-N 3.39Å; G429-L431 PolarHBondContact O-N 3.49Å; L431-G433 VanDerWaalsContact C-N 3.35Å; L431-G433 PolarHBondContact O-N 3.19Å; L431-Y434 WeakPolarHBondContact O-CB 3.36Å; L431-Y434 PolarHBondContact O-N 3.43Å; L431-V435 HydrophobicContact CD1-CG2 4.45Å; L431-V435 WeakPolarHBondContact O-CG2 3.47Å; L431-V435 PolarHBondContact O-N 3.16Å; L431-F506 HydrophobicContact CD2-CE2 4.08Å; L431-F506 HydrophobicContact CD2-CZ 3.77Å
432C98.3Very high96.3Very high50 Ų5038.6 Ų38.634%0.33821%0.207SC..Hα-helixtrans-62.2-42.9178.2-67.90000111.7Y428 V435 V436 T482 V486Y428-C432 PolarHBondContact O-N 3.42Å; Y428-C432 PolarHBondContact O-SG 2.95Å; Y428-C432 VanDerWaalsContact O-SG 3.37Å; C432-V435 PolarHBondContact O-N 2.85Å; C432-V436 WeakPolarHBondContact O-CB 3.19Å; C432-V436 WeakPolarHBondContact O-CG2 3.39Å; C432-V436 PolarHBondContact O-N 3.08Å; C432-T482 HydrophobicContact CB-CG2 3.59Å; C432-V486 HydrophobicContact CB-CB 4.45Å; C432-V486 HydrophobicContact CB-CG1 4.34Å; C432-V486 HydrophobicContact CB-CG2 4.05Å
433G98.6Very high96.3Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-61.1-43.9175.400000113.1G429 S430 L431 V435 V436 G437 S479G429-G433 PolarHBondContact O-N 3.34Å; S430-G433 PolarHBondContact O-N 2.97Å; L431-G433 VanDerWaalsContact C-N 3.35Å; L431-G433 PolarHBondContact O-N 3.19Å; G433-V435 PolarHBondContact O-N 3.35Å; G433-V436 PolarHBondContact O-N 3.02Å; G433-G437 PolarHBondContact O-N 3.07Å; G433-S479 PolarHBondContact O-OG 3.48Å
434Y98.5Very high96.4Very high23 Ų2333.3 Ų33.39%0.0917%0.173CC..Hα-helixtrans-56.2-51.2174.5-177.1-77000111.2M120 L123 L124 P127 I411 S430 L431 L438M120-Y434 HydrophobicContact CE-CD2 4.04Å; M120-Y434 HydrophobicContact CE-CG 4.18Å; L123-Y434 HydrophobicContact CB-CE2 4.31Å; L123-Y434 WeakPolarHBondContact O-CE2 3.26Å; L123-Y434 PolarHBondContact O-OH 3.47Å; L124-Y434 HydrophobicContact CD2-CD2 3.93Å; L124-Y434 HydrophobicContact CD2-CE2 4.49Å; P127-Y434 HydrophobicContact CG-CE2 4.2Å; I411-Y434 HydrophobicContact CD1-CE2 4.36Å; I411-Y434 HydrophobicContact CG2-CD2 3.4Å; I411-Y434 HydrophobicContact CG2-CE2 3.84Å; I411-Y434 HydrophobicContact CG2-CG 4.15Å; S430-Y434 WeakPolarHBondContact O-CB 3.5Å; S430-Y434 PolarHBondContact O-N 3.34Å; L431-Y434 WeakPolarHBondContact O-CB 3.36Å; L431-Y434 PolarHBondContact O-N 3.43Å; Y434-L438 HydrophobicContact CE1-CD2 3.9Å; Y434-L438 VanDerWaalsContact O-CB 3.22Å; Y434-L438 WeakPolarHBondContact O-CB 3.35Å; Y434-L438 PolarHBondContact O-N 3.01Å
435V98.4Very high96.4Very high65 Ų6529.4 Ų29.439%0.39416%0.157SC..Hα-helixtrans-64.2-47.3-178.2171.90000111.2L431 C432 G433 L438 I439L431-V435 HydrophobicContact CD1-CG2 4.45Å; L431-V435 WeakPolarHBondContact O-CG2 3.47Å; L431-V435 PolarHBondContact O-N 3.16Å; C432-V435 PolarHBondContact O-N 2.85Å; G433-V435 PolarHBondContact O-N 3.35Å; V435-L438 PolarHBondContact O-N 3.38Å; V435-I439 HydrophobicContact CG1-CD1 3.61Å; V435-I439 HydrophobicContact CG1-CG1 4.34Å; V435-I439 WeakPolarHBondContact O-CB 3.47Å; V435-I439 VanDerWaalsContact O-CG1 3.25Å; V435-I439 WeakPolarHBondContact O-CG1 3.22Å; V435-I439 PolarHBondContact O-N 3.23Å
436V98.3Very high96.1Very high34 Ų3430 Ų3021%0.20616%0.159CC..Hα-helixtrans-61.4-49.5178.7168.90000110.9C432 G433 L438 I439 F440 L478 T482C432-V436 WeakPolarHBondContact O-CB 3.19Å; C432-V436 WeakPolarHBondContact O-CG2 3.39Å; C432-V436 PolarHBondContact O-N 3.08Å; G433-V436 PolarHBondContact O-N 3.02Å; V436-L438 VanDerWaalsContact C-N 3.34Å; V436-L438 PolarHBondContact O-N 3.26Å; V436-I439 PolarHBondContact O-N 3.2Å; V436-F440 HydrophobicContact CG1-CD2 3.86Å; V436-F440 HydrophobicContact CG1-CE2 4.07Å; V436-F440 WeakPolarHBondContact O-CD2 3.39Å; V436-F440 PolarHBondContact O-N 3.39Å; V436-F440 VanDerWaalsContact O-N 3.08Å; V436-L478 HydrophobicContact CG1-CB 3.88Å; V436-T482 HydrophobicContact CG2-CG2 4.01Å
437G98Very high95.6Very high0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-58.5-45.6177.900000112.2V410 G433 R441V410-G437 WeakPolarHBondContact CG1-O 3.18Å; G433-G437 PolarHBondContact O-N 3.07Å; G437-R441 WeakPolarHBondContact O-CB 3.33Å; G437-R441 PolarHBondContact O-N 3.34Å
438L97.3Very high94.8Very high47 Ų4735.5 Ų35.525%0.24619%0.19CC..Hα-helixtrans-63.9-45.7179.4-173.465.3000112.3L407 I411 Y434 V435 V436 R441 I442L407-L438 HydrophobicContact CD2-CD1 4.21Å; I411-L438 HydrophobicContact CD1-CB 4.13Å; I411-L438 HydrophobicContact CD1-CD1 4.01Å; Y434-L438 HydrophobicContact CE1-CD2 3.9Å; Y434-L438 VanDerWaalsContact O-CB 3.22Å; Y434-L438 WeakPolarHBondContact O-CB 3.35Å; Y434-L438 PolarHBondContact O-N 3.01Å; V435-L438 PolarHBondContact O-N 3.38Å; V436-L438 VanDerWaalsContact C-N 3.34Å; V436-L438 PolarHBondContact O-N 3.26Å; L438-R441 PolarHBondContact O-N 3.37Å; L438-I442 HydrophobicContact CD1-CD1 3.58Å; L438-I442 HydrophobicContact CD1-CG1 4.03Å; L438-I442 HydrophobicContact CD2-CD1 4.42Å; L438-I442 HydrophobicContact CG-CD1 3.73Å; L438-I442 HydrophobicContact CG-CG1 4.38Å; L438-I442 WeakPolarHBondContact O-CB 3.32Å; L438-I442 WeakPolarHBondContact O-CG1 3.13Å; L438-I442 PolarHBondContact O-N 2.89Å
439I97.4Very high94Very high90 Ų9038 Ų3846%0.46221%0.205SC..Hα-helixtrans-59.6-58.4179.2-72.2170.2000109.9V435 V436 R441 I442 T443V435-I439 HydrophobicContact CG1-CD1 3.61Å; V435-I439 HydrophobicContact CG1-CG1 4.34Å; V435-I439 WeakPolarHBondContact O-CB 3.47Å; V435-I439 VanDerWaalsContact O-CG1 3.25Å; V435-I439 WeakPolarHBondContact O-CG1 3.22Å; V435-I439 PolarHBondContact O-N 3.23Å; V436-I439 PolarHBondContact O-N 3.2Å; I439-R441 PolarHBondContact O-N 3.25Å; I439-I442 PolarHBondContact O-N 3.35Å; I439-T443 HydrophobicContact CG2-CG2 4.29Å; I439-T443 VanDerWaalsContact O-CG2 3.29Å; I439-T443 WeakPolarHBondContact O-CG2 3.34Å; I439-T443 PolarHBondContact O-N 3.41Å; I439-T443 PolarHBondContact O-OG1 3.48Å; I439-T443 VanDerWaalsContact O-OG1 3.08Å
440F96.3Very high93.3Very high75 Ų7544.9 Ų44.933%0.32924%0.242SC..Hα-helixtrans-63.2-29.5-175.3-82.4-81000112.9V436 T443 Y457 M474 A475 L478V436-F440 HydrophobicContact CG1-CD2 3.86Å; V436-F440 HydrophobicContact CG1-CE2 4.07Å; V436-F440 WeakPolarHBondContact O-CD2 3.39Å; V436-F440 PolarHBondContact O-N 3.39Å; V436-F440 VanDerWaalsContact O-N 3.08Å; F440-T443 PolarHBondContact O-OG1 2.82Å; F440-Y457 WeakPolarHBondContact CD1-OH 3.41Å; F440-Y457 PolarHBondContact O-OH 2.86Å; F440-M474 HydrophobicContact CB-CE 4.49Å; F440-M474 HydrophobicContact CD1-CE 3.6Å; F440-M474 HydrophobicContact CE1-CE 4.21Å; F440-M474 HydrophobicContact CG-CE 4.34Å; F440-A475 HydrophobicContact CB-CB 3.8Å; F440-L478 HydrophobicContact CD1-CD1 3.95Å; F440-L478 HydrophobicContact CD2-CD1 3.8Å; F440-L478 HydrophobicContact CE1-CD1 3.95Å; F440-L478 HydrophobicContact CE2-CD1 3.8Å; F440-L478 HydrophobicContact CG-CD1 3.88Å; F440-L478 HydrophobicContact CZ-CD1 3.88Å
441R95.9Very high92.7Very high7 Ų748.1 Ų48.13%0.02626%0.259CS..Hα-helixtrans-72.4-51.2174.4177.957.5-164.996-8.1112.4D406 L407 V410 G437 L438 I439 T443 G444 G445 E446 A475D406-R441 IonicContact OD1-CZ 3.6Å; D406-R441 IonicContact OD1-NE 3.96Å; D406-R441 PolarHBondContact OD1-NE 3.37Å; D406-R441 IonicContact OD1-NH2 2.74Å; D406-R441 IonicContact OD2-CZ 2.61Å; D406-R441 IonicContact OD2-NE 3.64Å; D406-R441 PolarHBondContact OD2-NE 3.5Å; D406-R441 IonicContact OD2-NH2 3.77Å; D406-R441 PolarHBondContact OD2-NH2 3.35Å; L407-R441 HydrophobicContact CD2-CG 4.12Å; V410-R441 HydrophobicContact CG1-CB 4.11Å; V410-R441 HydrophobicContact CG2-CB 4.42Å; V410-R441 HydrophobicContact CG2-CG 4.33Å; G437-R441 WeakPolarHBondContact O-CB 3.33Å; G437-R441 PolarHBondContact O-N 3.34Å; L438-R441 PolarHBondContact O-N 3.37Å; I439-R441 PolarHBondContact O-N 3.25Å; R441-T443 VanDerWaalsContact C-N 3.32Å; R441-T443 PolarHBondContact O-N 2.88Å; R441-G444 PolarHBondContact O-N 3.31Å; R441-G445 PolarHBondContact NH1-O 2.99Å; R441-E446 IonicContact CZ-OE2 3.05Å; R441-E446 IonicContact NH2-OE2 4Å; R441-E446 PolarHBondContact NH2-OE2 2.83Å; R441-A475 HydrophobicContact CB-CB 4.41Å
442I94.2Very high92.3Very high85 Ų8555.6 Ų55.644%0.43628%0.283SS..Hα-helixtrans-63.1-40.5-178-72.2178.6000110.7L438 I439 G444 G445 L451L438-I442 HydrophobicContact CD1-CD1 3.58Å; L438-I442 HydrophobicContact CD1-CG1 4.03Å; L438-I442 HydrophobicContact CD2-CD1 4.42Å; L438-I442 HydrophobicContact CG-CD1 3.73Å; L438-I442 HydrophobicContact CG-CG1 4.38Å; L438-I442 WeakPolarHBondContact O-CB 3.32Å; L438-I442 WeakPolarHBondContact O-CG1 3.13Å; L438-I442 PolarHBondContact O-N 2.89Å; I439-I442 PolarHBondContact O-N 3.35Å; I442-G444 PolarHBondContact O-N 3.49Å; I442-G444 VanDerWaalsContact O-N 3.16Å; I442-G445 PolarHBondContact O-N 3.42Å; I442-L451 HydrophobicContact CG2-CD2 4.39Å
443T94.2Very high91.9Very high23 Ų2354.4 Ų54.414%0.14128%0.275CS..Hα-helixtrans-64.6-21.7-178.456.40000113.4I439 F440 R441 G445 L454 V455I439-T443 HydrophobicContact CG2-CG2 4.29Å; I439-T443 VanDerWaalsContact O-CG2 3.29Å; I439-T443 WeakPolarHBondContact O-CG2 3.34Å; I439-T443 PolarHBondContact O-N 3.41Å; I439-T443 PolarHBondContact O-OG1 3.48Å; I439-T443 VanDerWaalsContact O-OG1 3.08Å; F440-T443 PolarHBondContact O-OG1 2.82Å; R441-T443 VanDerWaalsContact C-N 3.32Å; R441-T443 PolarHBondContact O-N 2.88Å; T443-G445 VanDerWaalsContact C-N 3.29Å; T443-G445 PolarHBondContact O-N 2.87Å; T443-L454 HydrophobicContact CG2-CB 4.5Å; T443-L454 HydrophobicContact CG2-CD2 4.09Å; T443-L454 PolarHBondContact O-N 3.45Å; T443-V455 HydrophobicContact CG2-CG2 4.41Å; T443-V455 PolarHBondContact O-N 3.08Å
444G92.8Very high91.7Very high2 Ų261.3 Ų61.32%0.02131%0.311CS..THydrogen-bonded Turntrans-75.5-12.1175.400000114.8R441 I442 P453 Q467R441-G444 PolarHBondContact O-N 3.31Å; I442-G444 PolarHBondContact O-N 3.49Å; I442-G444 VanDerWaalsContact O-N 3.16Å; G444-P453 WeakPolarHBondContact O-CB 3.39Å; G444-Q467 PolarHBondContact O-NE2 3.29Å
445G91.4Very high91.4Very high4 Ų463 Ų634%0.04132%0.324CS..  trans76174.3-177.500000114R441 I442 T443 L451R441-G445 PolarHBondContact NH1-O 2.99Å; I442-G445 PolarHBondContact O-N 3.42Å; T443-G445 VanDerWaalsContact C-N 3.29Å; T443-G445 PolarHBondContact O-N 2.87Å; G445-L451 CarbonylContact C-O 3.46Å; G445-L451 WeakPolarHBondContact CA-O 3.21Å
446E88.8Confident91.2Very high19 Ų1965 Ų659%0.08933%0.327CS..BIsolated β-bridgetrans-157.1116174.8-179.351.1-110.300109.7I403 R441 L448 I449 N450 L451 K472I403-E446 HydrophobicContact CD1-CG 3.57Å; I403-E446 HydrophobicContact CG1-CG 4.49Å; R441-E446 IonicContact CZ-OE2 3.05Å; R441-E446 IonicContact NH2-OE2 4Å; R441-E446 PolarHBondContact NH2-OE2 2.83Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-L448 HydrophobicContact CG-CB 4.33Å; E446-L448 PolarHBondContact O-N 3.45Å; E446-L448 PolarHBondContact OE1-N 3.45Å; E446-I449 HydrophobicContact CB-CD1 4.26Å; E446-I449 HydrophobicContact CB-CG1 3.85Å; E446-I449 HydrophobicContact CG-CD1 4.35Å; E446-I449 HydrophobicContact CG-CG1 3.81Å; E446-I449 PolarHBondContact O-N 3.27Å; E446-N450 PolarHBondContact O-N 3.4Å; E446-L451 HydrophobicContact CB-CB 4.3Å; E446-L451 PolarHBondContact N-O 3.32Å; E446-L451 PolarHBondContact O-N 3.42Å; E446-K472 IonicContact OE2-NZ 3.52Å; E446-K472 PolarHBondContact OE2-NZ 3Å
447T84Confident91Very high74 Ų7464.4 Ų64.445%0.45432%0.321SS..G310 helixtrans-67.9-36-173.449.60000111.8I449 N450 N465T447-I449 PolarHBondContact O-N 2.58Å; T447-N450 PolarHBondContact O-N 3.28Å; T447-N465 VanDerWaalsContact CG2-O 3.24Å; T447-N465 WeakPolarHBondContact CG2-O 3.41Å
448L78.7Confident90.8Very high57 Ų5768.1 Ų68.130%0.29835%0.345SS..G310 helixtrans-60.2-31.5-178.4-71.8169.2000113.7T396 I403 E446T396-L448 HydrophobicContact CG2-CD2 3.79Å; I403-L448 HydrophobicContact CB-CD1 4.26Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-L448 HydrophobicContact CG-CB 4.33Å; E446-L448 PolarHBondContact O-N 3.45Å; E446-L448 PolarHBondContact OE1-N 3.45Å
449I80Confident90.5Very high87 Ų8772.1 Ų72.145%0.44636%0.357SS..G310 helixtrans-111.117.8178.360.8170.3000112.2I403 E446 T447 L451I403-I449 HydrophobicContact CD1-CG2 4.21Å; E446-I449 HydrophobicContact CB-CD1 4.26Å; E446-I449 HydrophobicContact CB-CG1 3.85Å; E446-I449 HydrophobicContact CG-CD1 4.35Å; E446-I449 HydrophobicContact CG-CG1 3.81Å; E446-I449 PolarHBondContact O-N 3.27Å; T447-I449 PolarHBondContact O-N 2.58Å; I449-L451 HydrophobicContact CD1-CB 4.29Å; I449-L451 HydrophobicContact CG1-CB 4.04Å; I449-L451 PolarHBondContact O-N 3.06Å; I449-L451 VanDerWaalsContact O-N 3.13Å
450N81.8Confident90.3Very high145 Ų14570 Ų7078%0.77534%0.344SS*.THydrogen-bonded Turntrans54.229.1-179.3-67.9-57.9000114.6E446 T447 R452E446-N450 PolarHBondContact O-N 3.4Å; T447-N450 PolarHBondContact O-N 3.28Å; N450-R452 PolarHBondContact O-N 3.44Å
451L86Confident90Very high67 Ų6769.2 Ų69.235%0.35134%0.343SS..BIsolated β-bridgetrans-82.1109.2175.9-178.768.4000109.3I442 G445 E446 I449I442-L451 HydrophobicContact CG2-CD2 4.39Å; G445-L451 CarbonylContact C-O 3.46Å; G445-L451 WeakPolarHBondContact CA-O 3.21Å; E446-L451 HydrophobicContact CB-CB 4.3Å; E446-L451 PolarHBondContact N-O 3.32Å; E446-L451 PolarHBondContact O-N 3.42Å; I449-L451 HydrophobicContact CD1-CB 4.29Å; I449-L451 HydrophobicContact CG1-CB 4.04Å; I449-L451 PolarHBondContact O-N 3.06Å; I449-L451 VanDerWaalsContact O-N 3.13Å
452R88.6Confident89.7Confident214 Ų21475.3 Ų75.381%0.80837%0.371SS*.  trans-68140.1-179.2-64.1-176.6-178.2-172.4-0.6111.6N450 L454N450-R452 PolarHBondContact O-N 3.44Å; R452-L454 PolarHBondContact O-N 3.46Å
453P91.6Very high89.3Confident24 Ų2476.1 Ų76.116%0.15639%0.391CS..  trans-66.6129.5175.527.3-33.2000110.6G444 Y460G444-P453 WeakPolarHBondContact O-CB 3.39Å; P453-Y460 HydrophobicContact CB-CE2 4.49Å; P453-Y460 HydrophobicContact CG-CE2 3.73Å
454L93Very high88.8Confident145 Ų14577.6 Ų77.676%0.75941%0.405SS*.SBendtrans-83.9-39.4169.1-177.465.4000110.7T443 R452T443-L454 HydrophobicContact CG2-CB 4.5Å; T443-L454 HydrophobicContact CG2-CD2 4.09Å; T443-L454 PolarHBondContact O-N 3.45Å; R452-L454 PolarHBondContact O-N 3.46Å
455V93.2Very high88.5Confident59 Ų5980.3 Ų80.336%0.35842%0.419SS..SBendtrans-107.8114.9177.2176.70000108.2T443 Y457 Q467T443-V455 HydrophobicContact CG2-CG2 4.41Å; T443-V455 PolarHBondContact O-N 3.08Å; V455-Y457 HydrophobicContact CB-CE2 4.33Å; V455-Y457 HydrophobicContact CG1-CD1 4.02Å; V455-Y457 HydrophobicContact CG1-CD2 4.34Å; V455-Y457 HydrophobicContact CG1-CE1 3.77Å; V455-Y457 HydrophobicContact CG1-CE2 4.14Å; V455-Y457 HydrophobicContact CG1-CG 4.3Å; V455-Y457 PolarHBondContact O-N 2.74Å; V455-Q467 PolarHBondContact O-NE2 3.49Å
456K93.3Very high88.4Confident107 Ų10782 Ų8247%0.46543%0.429SS..  trans-81.7101.9170.1-63.2179173.8-174.60107.6Y460 E462K456-Y460 HydrophobicContact CB-CD1 3.86Å; K456-Y460 HydrophobicContact CB-CG 3.96Å; K456-Y460 HydrophobicContact CD-CD1 3.59Å; K456-Y460 HydrophobicContact CD-CE1 3.68Å; K456-Y460 HydrophobicContact CG-CD1 3.58Å; K456-Y460 HydrophobicContact CG-CE1 3.77Å; K456-Y460 HydrophobicContact CG-CG 4.04Å; K456-E462 IonicContact NZ-OE1 3.34Å; K456-E462 PolarHBondContact NZ-OE1 2.88Å; K456-E462 IonicContact NZ-OE2 2.8Å; K456-E462 PolarHBondContact NZ-OE2 3.48Å
457Y94.2Very high88.6Confident22 Ų2281.9 Ų81.99%0.08643%0.428CS..  trans-71.1167.7178.3-70.9-73.8000110.3F440 V455 Y460 Q467 F469 F471 M474F440-Y457 WeakPolarHBondContact CD1-OH 3.41Å; F440-Y457 PolarHBondContact O-OH 2.86Å; V455-Y457 HydrophobicContact CB-CE2 4.33Å; V455-Y457 HydrophobicContact CG1-CD1 4.02Å; V455-Y457 HydrophobicContact CG1-CD2 4.34Å; V455-Y457 HydrophobicContact CG1-CE1 3.77Å; V455-Y457 HydrophobicContact CG1-CE2 4.14Å; V455-Y457 HydrophobicContact CG1-CG 4.3Å; V455-Y457 PolarHBondContact O-N 2.74Å; Y457-Y460 VanDerWaalsContact O-CB 3.3Å; Y457-Y460 WeakPolarHBondContact O-CB 3.08Å; Y457-Y460 PolarHBondContact O-N 2.96Å; Y457-Y460 VanDerWaalsContact O-N 3.13Å; Y457-Q467 VanDerWaalsContact N-OE1 3.13Å; Y457-F469 AromaticContact CD1-CD1 4Å; Y457-F469 HydrophobicContact CD1-CD1 4Å; Y457-F469 HydrophobicContact CD1-CE1 4.09Å; Y457-F469 AromaticContact CG-CD1 3.89Å; Y457-F469 HydrophobicContact CG-CD1 3.89Å; Y457-F469 HydrophobicContact CG-CE1 4.44Å; Y457-F471 HydrophobicContact CD1-CB 4.49Å; Y457-F471 HydrophobicContact CD2-CB 3.53Å; Y457-F471 HydrophobicContact CD2-CD1 4.44Å; Y457-F471 HydrophobicContact CD2-CD2 4.36Å; Y457-F471 AromaticContact CD2-CG 3.88Å; Y457-F471 HydrophobicContact CD2-CG 3.88Å; Y457-F471 HydrophobicContact CE2-CB 3.52Å; Y457-F471 AromaticContact CE2-CD2 3.86Å; Y457-F471 HydrophobicContact CE2-CD2 3.86Å; Y457-F471 AromaticContact CE2-CG 3.81Å; Y457-F471 HydrophobicContact CE2-CG 3.81Å; Y457-F471 HydrophobicContact CG-CB 4.04Å; Y457-M474 HydrophobicContact CD1-CE 4.41Å; Y457-M474 HydrophobicContact CE1-CE 3.51Å; Y457-M474 HydrophobicContact CE1-SD 4.33Å
458P93.5Very high89.1Confident77 Ų7781.2 Ų81.250%0.542%0.418SS..THydrogen-bonded Turntrans-49146.5172.3-28.236.5000111.5Y460 F469P458-Y460 PolarHBondContact O-N 3.15Å; P458-F469 HydrophobicContact CB-CD2 4.26Å; P458-F469 HydrophobicContact CG-CD2 4.25Å; P458-F469 WeakPolarHBondContact O-CB 3.23Å
459W92.4Very high89.9Confident132 Ų13280.9 Ų80.950%0.541%0.414SS..THydrogen-bonded Turntrans57.532.3-175.5-44.4-39.1000114V223 P224 S227 Y468V223-W459 HydrophobicContact CG1-CH2 4.12Å; P224-W459 HydrophobicContact CB-CB 4.26Å; P224-W459 HydrophobicContact CB-CD2 4.37Å; P224-W459 HydrophobicContact CB-CE3 4.36Å; P224-W459 HydrophobicContact CB-CG 4.35Å; P224-W459 HydrophobicContact CG-CD2 4.25Å; P224-W459 HydrophobicContact CG-CG 4.22Å; S227-W459 WeakPolarHBondContact OG-CZ3 3.26Å; W459-Y468 WeakPolarHBondContact O-CB 3.46Å; W459-Y468 VanDerWaalsContact O-CD2 3.26Å; W459-Y468 WeakPolarHBondContact O-CD2 3.48Å; W459-Y468 PolarHBondContact O-N 2.94Å
460Y93.1Very high90.7Very high46 Ų4678.6 Ų78.618%0.1841%0.405CS..EExtended strand (participates in β ladder)trans-73.1126.7165.8176.7-107.2000110.2P453 K456 Y457 P458 E462 N465 V466 Q467P453-Y460 HydrophobicContact CB-CE2 4.49Å; P453-Y460 HydrophobicContact CG-CE2 3.73Å; K456-Y460 HydrophobicContact CB-CD1 3.86Å; K456-Y460 HydrophobicContact CB-CG 3.96Å; K456-Y460 HydrophobicContact CD-CD1 3.59Å; K456-Y460 HydrophobicContact CD-CE1 3.68Å; K456-Y460 HydrophobicContact CG-CD1 3.58Å; K456-Y460 HydrophobicContact CG-CE1 3.77Å; K456-Y460 HydrophobicContact CG-CG 4.04Å; Y457-Y460 VanDerWaalsContact O-CB 3.3Å; Y457-Y460 WeakPolarHBondContact O-CB 3.08Å; Y457-Y460 PolarHBondContact O-N 2.96Å; Y457-Y460 VanDerWaalsContact O-N 3.13Å; P458-Y460 PolarHBondContact O-N 3.15Å; Y460-E462 HydrophobicContact CD1-CB 4.4Å; Y460-E462 HydrophobicContact CE1-CB 3.93Å; Y460-E462 HydrophobicContact CE1-CG 4.29Å; Y460-N465 PolarHBondContact OH-OD1 2.94Å; Y460-V466 WeakPolarHBondContact CD2-O 3.31Å; Y460-Q467 HydrophobicContact CD2-CG 4.01Å; Y460-Q467 HydrophobicContact CE2-CG 4.42Å
461D90.2Very high91.3Very high57 Ų5772.1 Ų72.131%0.30537%0.37SS..EExtended strand (participates in β ladder)trans-96.9113.3172.2-174.8-23.1000109.6A463 A464 N465 V466 Y468D461-A463 WeakPolarHBondContact OD1-CA 3.14Å; D461-A463 WeakPolarHBondContact OD1-CB 3.22Å; D461-A463 PolarHBondContact OD1-N 3.3Å; D461-A464 HydrophobicContact CB-CB 4.22Å; D461-A464 PolarHBondContact OD1-N 3.2Å; D461-N465 WeakPolarHBondContact O-CA 3.26Å; D461-N465 PolarHBondContact O-N 3.34Å; D461-V466 PolarHBondContact N-O 2.95Å; D461-V466 PolarHBondContact O-N 3.41Å; D461-V466 VanDerWaalsContact O-N 3.15Å; D461-Y468 HydrophobicContact CB-CD2 4.33Å; D461-Y468 HydrophobicContact CB-CE2 3.82Å
462E88.1Confident91.8Very high135 Ų13569.4 Ų69.463%0.63136%0.355SS*.THydrogen-bonded Turntrans-76.2-25.8-177.8-170.3145.4-159.800113.1K456 Y460K456-E462 IonicContact NZ-OE1 3.34Å; K456-E462 PolarHBondContact NZ-OE1 2.88Å; K456-E462 IonicContact NZ-OE2 2.8Å; K456-E462 PolarHBondContact NZ-OE2 3.48Å; Y460-E462 HydrophobicContact CD1-CB 4.4Å; Y460-E462 HydrophobicContact CE1-CB 3.93Å; Y460-E462 HydrophobicContact CE1-CG 4.29Å
463A86.8Confident92.3Very high102 Ų10260.1 Ų60.184%0.84332%0.323SS*.THydrogen-bonded Turntrans-78.1-43.9177.800000111.2D461D461-A463 WeakPolarHBondContact OD1-CA 3.14Å; D461-A463 WeakPolarHBondContact OD1-CB 3.22Å; D461-A463 PolarHBondContact OD1-N 3.3Å
464A84.2Confident92.6Very high54 Ų5461.1 Ų61.145%0.44633%0.326SS..THydrogen-bonded Turntrans-83.2-14.7177.400000113.2D461 V466D461-A464 HydrophobicContact CB-CB 4.22Å; D461-A464 PolarHBondContact OD1-N 3.2Å; A464-V466 VanDerWaalsContact C-N 3.29Å; A464-V466 HydrophobicContact CB-CB 4.29Å; A464-V466 HydrophobicContact CB-CG2 3.81Å; A464-V466 PolarHBondContact O-N 3.3Å
465N86.5Confident92.9Very high59 Ų5954.2 Ų54.232%0.31629%0.289SS..THydrogen-bonded Turntrans54.742.7-170.2-168.228.6000112.6T447 Y460 D461T447-N465 VanDerWaalsContact CG2-O 3.24Å; T447-N465 WeakPolarHBondContact CG2-O 3.41Å; Y460-N465 PolarHBondContact OH-OD1 2.94Å; D461-N465 WeakPolarHBondContact O-CA 3.26Å; D461-N465 PolarHBondContact O-N 3.34Å
466V88.7Confident93.1Very high41 Ų4152 Ų5225%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-114.6134.5-176.21770000110.7L228 Y460 D461 A464 Y468L228-V466 HydrophobicContact CD2-CG1 3.81Å; Y460-V466 WeakPolarHBondContact CD2-O 3.31Å; D461-V466 PolarHBondContact N-O 2.95Å; D461-V466 PolarHBondContact O-N 3.41Å; D461-V466 VanDerWaalsContact O-N 3.15Å; A464-V466 VanDerWaalsContact C-N 3.29Å; A464-V466 HydrophobicContact CB-CB 4.29Å; A464-V466 HydrophobicContact CB-CG2 3.81Å; A464-V466 PolarHBondContact O-N 3.3Å; V466-Y468 HydrophobicContact CB-CE2 4.2Å; V466-Y468 HydrophobicContact CG1-CD1 4.24Å; V466-Y468 HydrophobicContact CG1-CD2 4.23Å; V466-Y468 HydrophobicContact CG1-CE1 4.04Å; V466-Y468 HydrophobicContact CG1-CE2 4.01Å; V466-Y468 HydrophobicContact CG1-CG 4.35Å
467Q92.6Very high93.3Very high15 Ų1550.8 Ų50.87%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-94.6105172.2-65.1-90.126.800109.4G444 V455 Y457 Y460 F471G444-Q467 PolarHBondContact O-NE2 3.29Å; V455-Q467 PolarHBondContact O-NE2 3.49Å; Y457-Q467 VanDerWaalsContact N-OE1 3.13Å; Y460-Q467 HydrophobicContact CD2-CG 4.01Å; Y460-Q467 HydrophobicContact CE2-CG 4.42Å; Q467-F471 HydrophobicContact CB-CD1 3.83Å; Q467-F471 HydrophobicContact CB-CE1 3.66Å; Q467-F471 HydrophobicContact CG-CD1 4.37Å; Q467-F471 HydrophobicContact CG-CE1 4.06Å
468Y94.2Very high93.6Very high61 Ų6152.3 Ų52.324%0.23928%0.283CS..  trans-83.7-26.3178.8-70.8-76000113.8P224 A225 S227 L228 W459 D461 V466P224-Y468 HydrophobicContact CB-CD1 4.04Å; P224-Y468 HydrophobicContact CB-CD2 4.33Å; P224-Y468 HydrophobicContact CB-CG 3.75Å; P224-Y468 WeakPolarHBondContact O-CB 3.11Å; P224-Y468 VanDerWaalsContact O-CD1 3.3Å; P224-Y468 WeakPolarHBondContact O-CD1 3.27Å; A225-Y468 HydrophobicContact CB-CE1 4.43Å; S227-Y468 PolarHBondContact OG-O 3.29Å; L228-Y468 HydrophobicContact CB-CD1 4.12Å; L228-Y468 HydrophobicContact CD2-CD1 4.12Å; L228-Y468 HydrophobicContact CD2-CE1 4.28Å; L228-Y468 PolarHBondContact N-O 2.89Å; W459-Y468 WeakPolarHBondContact O-CB 3.46Å; W459-Y468 VanDerWaalsContact O-CD2 3.26Å; W459-Y468 WeakPolarHBondContact O-CD2 3.48Å; W459-Y468 PolarHBondContact O-N 2.94Å; D461-Y468 HydrophobicContact CB-CD2 4.33Å; D461-Y468 HydrophobicContact CB-CE2 3.82Å; V466-Y468 HydrophobicContact CB-CE2 4.2Å; V466-Y468 HydrophobicContact CG1-CD1 4.24Å; V466-Y468 HydrophobicContact CG1-CD2 4.23Å; V466-Y468 HydrophobicContact CG1-CE1 4.04Å; V466-Y468 HydrophobicContact CG1-CE2 4.01Å; V466-Y468 HydrophobicContact CG1-CG 4.35Å
469F95.8Very high93.8Very high50 Ų5048.7 Ų48.722%0.21926%0.259CS..SBendtrans-63.4139.2173.5174-92.2000110.7Y457 P458 F471 M474Y457-F469 AromaticContact CD1-CD1 4Å; Y457-F469 HydrophobicContact CD1-CD1 4Å; Y457-F469 HydrophobicContact CD1-CE1 4.09Å; Y457-F469 AromaticContact CG-CD1 3.89Å; Y457-F469 HydrophobicContact CG-CD1 3.89Å; Y457-F469 HydrophobicContact CG-CE1 4.44Å; P458-F469 HydrophobicContact CB-CD2 4.26Å; P458-F469 HydrophobicContact CG-CD2 4.25Å; P458-F469 WeakPolarHBondContact O-CB 3.23Å; F469-F471 HydrophobicContact CD1-CB 3.84Å; F469-F471 HydrophobicContact CE1-CB 4.2Å; F469-F471 PolarHBondContact O-N 2.92Å; F469-M474 HydrophobicContact CE1-CB 4.16Å; F469-M474 HydrophobicContact CE1-CE 4.44Å; F469-M474 HydrophobicContact CE1-CG 4.43Å; F469-M474 HydrophobicContact CE1-SD 3.68Å; F469-M474 HydrophobicContact CZ-SD 3.97Å
470P96.2Very high94.1Very high39 Ų3943.6 Ų43.625%0.25324%0.242SC..  trans-75.660.9-173.933.5-38.6000112.1D231 K472 T473 M474D231-P470 HydrophobicContact CB-CB 3.68Å; D231-P470 VanDerWaalsContact CG-CA 3.44Å; D231-P470 VanDerWaalsContact OD2-C 3.31Å; D231-P470 VanDerWaalsContact OD2-CA 3.3Å; D231-P470 WeakPolarHBondContact OD2-CA 3.2Å; P470-K472 VanDerWaalsContact C-N 3.27Å; P470-K472 PolarHBondContact O-N 3.03Å; P470-T473 PolarHBondContact O-N 2.73Å; P470-M474 PolarHBondContact O-N 3.21Å
471F95.8Very high94.3Very high8 Ų846.5 Ų46.54%0.03526%0.26CS..Hα-helixtrans-70.9-23.1-171.578.2-84.2000112.5D231 Y457 Q467 F469 M474 A475D231-F471 PolarHBondContact OD2-N 3.27Å; Y457-F471 HydrophobicContact CD1-CB 4.49Å; Y457-F471 HydrophobicContact CD2-CB 3.53Å; Y457-F471 HydrophobicContact CD2-CD1 4.44Å; Y457-F471 HydrophobicContact CD2-CD2 4.36Å; Y457-F471 AromaticContact CD2-CG 3.88Å; Y457-F471 HydrophobicContact CD2-CG 3.88Å; Y457-F471 HydrophobicContact CE2-CB 3.52Å; Y457-F471 AromaticContact CE2-CD2 3.86Å; Y457-F471 HydrophobicContact CE2-CD2 3.86Å; Y457-F471 AromaticContact CE2-CG 3.81Å; Y457-F471 HydrophobicContact CE2-CG 3.81Å; Y457-F471 HydrophobicContact CG-CB 4.04Å; Q467-F471 HydrophobicContact CB-CD1 3.83Å; Q467-F471 HydrophobicContact CB-CE1 3.66Å; Q467-F471 HydrophobicContact CG-CD1 4.37Å; Q467-F471 HydrophobicContact CG-CE1 4.06Å; F469-F471 HydrophobicContact CD1-CB 3.84Å; F469-F471 HydrophobicContact CE1-CB 4.2Å; F469-F471 PolarHBondContact O-N 2.92Å; F471-M474 PolarHBondContact O-N 3.18Å; F471-A475 WeakPolarHBondContact O-CB 3.39Å; F471-A475 PolarHBondContact O-N 3.21Å
472K96.8Very high94.7Very high10 Ų1045.3 Ų45.34%0.04326%0.255CS..Hα-helixtrans-71.1-46.3177.6-53.3-172.5-178-161.60109.9D231 L235 D406 Y409 E446 P470 M474 A475 M476D231-K472 WeakPolarHBondContact OD2-CB 3.4Å; D231-K472 WeakPolarHBondContact OD2-CG 3.47Å; D231-K472 PolarHBondContact OD2-N 3.34Å; D231-K472 VanDerWaalsContact OD2-N 3.15Å; L235-K472 HydrophobicContact CD1-CB 4.47Å; L235-K472 HydrophobicContact CD1-CD 3.4Å; D406-K472 IonicContact OD1-NZ 3.21Å; Y409-K472 HydrophobicContact CE1-CB 4.4Å; E446-K472 IonicContact OE2-NZ 3.52Å; E446-K472 PolarHBondContact OE2-NZ 3Å; P470-K472 VanDerWaalsContact C-N 3.27Å; P470-K472 PolarHBondContact O-N 3.03Å; K472-M474 VanDerWaalsContact C-N 3.33Å; K472-M474 PolarHBondContact O-N 3.33Å; K472-A475 PolarHBondContact O-N 3.13Å; K472-M476 PolarHBondContact O-N 3.45Å
473T98.1Very high95.2Very high20 Ų2038.9 Ų38.912%0.12323%0.225CC..Hα-helixtrans-61.2-42.4171.8-62.80000110.9D231 L234 Y409 P470 A475 M476 L477D231-T473 WeakPolarHBondContact OD1-CA 3.48Å; D231-T473 WeakPolarHBondContact OD1-CB 2.9Å; D231-T473 PolarHBondContact OD1-N 3.42Å; D231-T473 PolarHBondContact OD1-OG1 2.97Å; L234-T473 HydrophobicContact CD1-CG2 4.1Å; Y409-T473 WeakPolarHBondContact OH-CA 3.48Å; Y409-T473 PolarHBondContact OH-OG1 3.27Å; Y409-T473 VanDerWaalsContact OH-OG1 3.13Å; P470-T473 PolarHBondContact O-N 2.73Å; T473-A475 PolarHBondContact O-N 2.97Å; T473-M476 PolarHBondContact O-N 3.36Å; T473-L477 HydrophobicContact CG2-CD1 4Å; T473-L477 HydrophobicContact CG2-CG 4.33Å; T473-L477 WeakPolarHBondContact O-CB 3.49Å; T473-L477 VanDerWaalsContact O-CG 3.31Å; T473-L477 WeakPolarHBondContact O-CG 3.49Å; T473-L477 PolarHBondContact O-N 2.76Å
474M97.9Very high95.8Very high44 Ų4437.4 Ų37.422%0.21720%0.202CC..Hα-helixtrans-58.4-48.4174.2-174.2-162.567.600111.3F440 Y457 F469 P470 F471 K472 M476 L477 L478F440-M474 HydrophobicContact CB-CE 4.49Å; F440-M474 HydrophobicContact CD1-CE 3.6Å; F440-M474 HydrophobicContact CE1-CE 4.21Å; F440-M474 HydrophobicContact CG-CE 4.34Å; Y457-M474 HydrophobicContact CD1-CE 4.41Å; Y457-M474 HydrophobicContact CE1-CE 3.51Å; Y457-M474 HydrophobicContact CE1-SD 4.33Å; F469-M474 HydrophobicContact CE1-CB 4.16Å; F469-M474 HydrophobicContact CE1-CE 4.44Å; F469-M474 HydrophobicContact CE1-CG 4.43Å; F469-M474 HydrophobicContact CE1-SD 3.68Å; F469-M474 HydrophobicContact CZ-SD 3.97Å; P470-M474 PolarHBondContact O-N 3.21Å; F471-M474 PolarHBondContact O-N 3.18Å; K472-M474 VanDerWaalsContact C-N 3.33Å; K472-M474 PolarHBondContact O-N 3.33Å; M474-M476 VanDerWaalsContact C-N 3.33Å; M474-M476 PolarHBondContact O-N 3.43Å; M474-L477 PolarHBondContact O-N 3.09Å; M474-L478 HydrophobicContact CE-CD1 4.12Å; M474-L478 HydrophobicContact CG-CD1 3.99Å; M474-L478 HydrophobicContact CG-CG 4.34Å; M474-L478 WeakPolarHBondContact O-CB 3.42Å; M474-L478 VanDerWaalsContact O-CG 3.3Å; M474-L478 WeakPolarHBondContact O-CG 3.41Å; M474-L478 PolarHBondContact O-N 3.4Å; M474-L478 HydrophobicContact SD-CD1 4.31Å
475A98.3Very high96.5Very high0 Ų037.8 Ų37.80%021%0.205CC..Hα-helixtrans-61.1-41.5178.900000111.9V410 F440 R441 F471 K472 T473 L478 S479V410-A475 HydrophobicContact CG1-CB 3.72Å; V410-A475 HydrophobicContact CG2-CB 4.34Å; F440-A475 HydrophobicContact CB-CB 3.8Å; R441-A475 HydrophobicContact CB-CB 4.41Å; F471-A475 WeakPolarHBondContact O-CB 3.39Å; F471-A475 PolarHBondContact O-N 3.21Å; K472-A475 PolarHBondContact O-N 3.13Å; T473-A475 PolarHBondContact O-N 2.97Å; A475-L478 PolarHBondContact O-N 3.43Å; A475-S479 VanDerWaalsContact O-CB 3.29Å; A475-S479 WeakPolarHBondContact O-CB 3.33Å; A475-S479 PolarHBondContact O-N 3.09Å
476M98.4Very high97Very high13 Ų1336.9 Ų36.96%0.06420%0.201CC..Hα-helixtrans-61.8-46.4174.7-176.8-78.3-65.800111.6Y409 F413 P414 K472 T473 M474 S479 L480Y409-M476 HydrophobicContact CD1-CB 4.41Å; Y409-M476 HydrophobicContact CD2-CG 4.08Å; Y409-M476 HydrophobicContact CE1-CB 3.98Å; Y409-M476 HydrophobicContact CE1-CG 4.41Å; Y409-M476 HydrophobicContact CE2-CB 4.18Å; Y409-M476 HydrophobicContact CE2-CE 3.9Å; Y409-M476 HydrophobicContact CE2-CG 3.7Å; Y409-M476 HydrophobicContact CE2-SD 4.48Å; Y409-M476 WeakPolarHBondContact O-CG 3.45Å; Y409-M476 WeakPolarHBondContact OH-CE 3.45Å; F413-M476 HydrophobicContact CD1-CG 4.33Å; F413-M476 HydrophobicContact CD1-SD 4.05Å; F413-M476 HydrophobicContact CE1-SD 4.36Å; P414-M476 HydrophobicContact CG-CG 4.46Å; K472-M476 PolarHBondContact O-N 3.45Å; T473-M476 PolarHBondContact O-N 3.36Å; M474-M476 VanDerWaalsContact C-N 3.33Å; M474-M476 PolarHBondContact O-N 3.43Å; M476-S479 WeakPolarHBondContact O-CB 3.37Å; M476-S479 PolarHBondContact O-N 2.97Å; M476-L480 WeakPolarHBondContact O-CB 3.21Å; M476-L480 PolarHBondContact O-N 3.21Å
477L98.6Very high97.4Very high82 Ų8234.9 Ų34.943%0.42919%0.19SC..Hα-helixtrans-65-42.7178.4-71.7173.1000111.9T473 M474 S479 L480 L481T473-L477 HydrophobicContact CG2-CD1 4Å; T473-L477 HydrophobicContact CG2-CG 4.33Å; T473-L477 WeakPolarHBondContact O-CB 3.49Å; T473-L477 VanDerWaalsContact O-CG 3.31Å; T473-L477 WeakPolarHBondContact O-CG 3.49Å; T473-L477 PolarHBondContact O-N 2.76Å; M474-L477 PolarHBondContact O-N 3.09Å; L477-S479 VanDerWaalsContact C-N 3.33Å; L477-S479 PolarHBondContact O-N 3.38Å; L477-L480 PolarHBondContact O-N 3.39Å; L477-L481 WeakPolarHBondContact O-CB 3.25Å; L477-L481 VanDerWaalsContact O-CG 3.24Å; L477-L481 WeakPolarHBondContact O-CG 3.46Å; L477-L481 PolarHBondContact O-N 3.08Å
478L98.5Very high97.5Very high54 Ų5441 Ų4128%0.28321%0.212SC..Hα-helixtrans-62.6-41.3175.3-71.5175.1000111.3V436 F440 M474 A475 T482V436-L478 HydrophobicContact CG1-CB 3.88Å; F440-L478 HydrophobicContact CD1-CD1 3.95Å; F440-L478 HydrophobicContact CD2-CD1 3.8Å; F440-L478 HydrophobicContact CE1-CD1 3.95Å; F440-L478 HydrophobicContact CE2-CD1 3.8Å; F440-L478 HydrophobicContact CG-CD1 3.88Å; F440-L478 HydrophobicContact CZ-CD1 3.88Å; M474-L478 HydrophobicContact CE-CD1 4.12Å; M474-L478 HydrophobicContact CG-CD1 3.99Å; M474-L478 HydrophobicContact CG-CG 4.34Å; M474-L478 WeakPolarHBondContact O-CB 3.42Å; M474-L478 VanDerWaalsContact O-CG 3.3Å; M474-L478 WeakPolarHBondContact O-CG 3.41Å; M474-L478 PolarHBondContact O-N 3.4Å; M474-L478 HydrophobicContact SD-CD1 4.31Å; A475-L478 PolarHBondContact O-N 3.43Å; L478-T482 WeakPolarHBondContact O-CB 3.15Å; L478-T482 PolarHBondContact O-N 2.92Å; L478-T482 PolarHBondContact O-OG1 3.02Å
479S98.6Very high97.6Very high0 Ų039.4 Ų39.40%021%0.214CC..Hα-helixtrans-57.5-52.6171.8175.60000110.7V410 P414 G433 A475 M476 L477 L481 T482 I483V410-S479 WeakPolarHBondContact O-CB 3.48Å; V410-S479 PolarHBondContact O-OG 3.27Å; P414-S479 WeakPolarHBondContact CG-OG 3.35Å; G433-S479 PolarHBondContact O-OG 3.48Å; A475-S479 VanDerWaalsContact O-CB 3.29Å; A475-S479 WeakPolarHBondContact O-CB 3.33Å; A475-S479 PolarHBondContact O-N 3.09Å; M476-S479 WeakPolarHBondContact O-CB 3.37Å; M476-S479 PolarHBondContact O-N 2.97Å; L477-S479 VanDerWaalsContact C-N 3.33Å; L477-S479 PolarHBondContact O-N 3.38Å; S479-L481 PolarHBondContact O-N 3.1Å; S479-T482 PolarHBondContact O-N 3.39Å; S479-I483 VanDerWaalsContact O-CG1 3.26Å; S479-I483 WeakPolarHBondContact O-CG1 3.38Å; S479-I483 PolarHBondContact O-N 2.94Å
480L98.6Very high97.5Very high25 Ų2538.5 Ų38.513%0.13121%0.213CC..Hα-helixtrans-57.5-51.8178.8-177.256.6000112.9P414 L417 M476 L477 T482 I483 I484P414-L480 HydrophobicContact CB-CB 3.69Å; P414-L480 HydrophobicContact CB-CD1 3.87Å; P414-L480 HydrophobicContact CB-CG 4.32Å; L417-L480 HydrophobicContact CD2-CD1 4.06Å; L417-L480 HydrophobicContact CD2-CD2 4.11Å; M476-L480 WeakPolarHBondContact O-CB 3.21Å; M476-L480 PolarHBondContact O-N 3.21Å; L477-L480 PolarHBondContact O-N 3.39Å; L480-T482 VanDerWaalsContact C-N 3.28Å; L480-T482 PolarHBondContact O-N 2.92Å; L480-I483 PolarHBondContact O-N 2.97Å; L480-I484 HydrophobicContact CD1-CD1 3.94Å; L480-I484 HydrophobicContact CD1-CG1 4.39Å; L480-I484 HydrophobicContact CG-CD1 3.97Å; L480-I484 WeakPolarHBondContact O-CG1 3.22Å; L480-I484 PolarHBondContact O-N 2.66Å
481L98.5Very high97.3Very high108 Ų10837.9 Ų37.957%0.56521%0.207SC*.Hα-helixtrans-62-39-179.4-70173.3000111.1L477 S479 I484 A485L477-L481 WeakPolarHBondContact O-CB 3.25Å; L477-L481 VanDerWaalsContact O-CG 3.24Å; L477-L481 WeakPolarHBondContact O-CG 3.46Å; L477-L481 PolarHBondContact O-N 3.08Å; S479-L481 PolarHBondContact O-N 3.1Å; L481-I484 PolarHBondContact O-N 3.39Å; L481-A485 WeakPolarHBondContact O-CB 3.35Å; L481-A485 PolarHBondContact O-N 2.83Å
482T98.7Very high97.1Very high31 Ų3143.2 Ų43.219%0.1923%0.228CC..Hα-helixtrans-64.4-45175.8-59.10000111.2C432 V436 L478 S479 L480 I484 A485 V486C432-T482 HydrophobicContact CB-CG2 3.59Å; V436-T482 HydrophobicContact CG2-CG2 4.01Å; L478-T482 WeakPolarHBondContact O-CB 3.15Å; L478-T482 PolarHBondContact O-N 2.92Å; L478-T482 PolarHBondContact O-OG1 3.02Å; S479-T482 PolarHBondContact O-N 3.39Å; L480-T482 VanDerWaalsContact C-N 3.28Å; L480-T482 PolarHBondContact O-N 2.92Å; T482-I484 VanDerWaalsContact C-N 3.31Å; T482-I484 PolarHBondContact O-N 3.33Å; T482-A485 PolarHBondContact O-N 3.26Å; T482-V486 HydrophobicContact CG2-CG2 4Å; T482-V486 VanDerWaalsContact O-CB 3.29Å; T482-V486 WeakPolarHBondContact O-CB 3.33Å; T482-V486 WeakPolarHBondContact O-CG2 3.24Å; T482-V486 PolarHBondContact O-N 3.01Å
483I98.6Very high97Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-58-47.5177.2-63.7162.8000110P414 Q415 C418 G429 S479 L480 S487P414-I483 HydrophobicContact CB-CD1 4.04Å; P414-I483 HydrophobicContact CG-CD1 4.39Å; Q415-I483 HydrophobicContact CG-CD1 3.82Å; C418-I483 HydrophobicContact CB-CG2 3.8Å; G429-I483 WeakPolarHBondContact O-CA 3.44Å; G429-I483 WeakPolarHBondContact O-CG1 3.3Å; S479-I483 VanDerWaalsContact O-CG1 3.26Å; S479-I483 WeakPolarHBondContact O-CG1 3.38Å; S479-I483 PolarHBondContact O-N 2.94Å; L480-I483 PolarHBondContact O-N 2.97Å; I483-S487 WeakPolarHBondContact O-CB 3.4Å; I483-S487 PolarHBondContact O-N 3.49Å; I483-S487 PolarHBondContact O-OG 2.98Å
484I98.3Very high96.6Very high71 Ų7144 Ų4436%0.36423%0.233SC..Hα-helixtrans-64.4-53.3-178.6-65.6167.7000110.5M422 L480 L481 T482 S487 W488M422-I484 HydrophobicContact CE-CG2 4.42Å; M422-I484 HydrophobicContact SD-CB 4.49Å; M422-I484 HydrophobicContact SD-CG1 4.09Å; L480-I484 HydrophobicContact CD1-CD1 3.94Å; L480-I484 HydrophobicContact CD1-CG1 4.39Å; L480-I484 HydrophobicContact CG-CD1 3.97Å; L480-I484 WeakPolarHBondContact O-CG1 3.22Å; L480-I484 PolarHBondContact O-N 2.66Å; L481-I484 PolarHBondContact O-N 3.39Å; T482-I484 VanDerWaalsContact C-N 3.31Å; T482-I484 PolarHBondContact O-N 3.33Å; I484-S487 PolarHBondContact O-N 2.85Å; I484-W488 VanDerWaalsContact O-CB 3.27Å; I484-W488 WeakPolarHBondContact O-CB 3.26Å; I484-W488 PolarHBondContact O-N 2.88Å
485A98Very high96.2Very high62 Ų6245.9 Ų45.951%0.51224%0.242SC..Hα-helixtrans-63-48.4-175.200000111.9L481 T482 G489L481-A485 WeakPolarHBondContact O-CB 3.35Å; L481-A485 PolarHBondContact O-N 2.83Å; T482-A485 PolarHBondContact O-N 3.26Å; A485-G489 PolarHBondContact O-N 3.18Å
486V97.9Very high95.8Very high40 Ų4050.5 Ų50.524%0.24227%0.267CS..Hα-helixtrans-70.5-40.4-179.3175.60000110.9C432 T482 W488 G489 T490C432-V486 HydrophobicContact CB-CB 4.45Å; C432-V486 HydrophobicContact CB-CG1 4.34Å; C432-V486 HydrophobicContact CB-CG2 4.05Å; T482-V486 HydrophobicContact CG2-CG2 4Å; T482-V486 VanDerWaalsContact O-CB 3.29Å; T482-V486 WeakPolarHBondContact O-CB 3.33Å; T482-V486 WeakPolarHBondContact O-CG2 3.24Å; T482-V486 PolarHBondContact O-N 3.01Å; V486-W488 PolarHBondContact O-N 3.23Å; V486-G489 PolarHBondContact O-N 3.4Å; V486-T490 HydrophobicContact CG1-CG2 4.1Å; V486-T490 WeakPolarHBondContact O-CB 3.44Å; V486-T490 VanDerWaalsContact O-CG2 3.31Å; V486-T490 WeakPolarHBondContact O-CG2 3.38Å; V486-T490 PolarHBondContact O-N 3.23Å; V486-T490 PolarHBondContact O-OG1 3.38Å
487S97.4Very high95.2Very high0 Ų052.5 Ų52.50%029%0.291CS..Hα-helixtrans-63.3-44.6177.3-630000111.6N426 G429 I483 I484 T490 N491N426-S487 PolarHBondContact N-OG 3.26Å; N426-S487 WeakPolarHBondContact ND2-CA 3.27Å; N426-S487 PolarHBondContact ND2-O 3.35Å; G429-S487 WeakPolarHBondContact CA-OG 3.22Å; I483-S487 WeakPolarHBondContact O-CB 3.4Å; I483-S487 PolarHBondContact O-N 3.49Å; I483-S487 PolarHBondContact O-OG 2.98Å; I484-S487 PolarHBondContact O-N 2.85Å; S487-T490 PolarHBondContact O-OG1 2.96Å; S487-N491 WeakPolarHBondContact O-CB 3.05Å; S487-N491 PolarHBondContact O-N 3.45Å
488W95Very high94.8Very high144 Ų14453.5 Ų53.555%0.54530%0.296SS..Hα-helixtrans-69.6-42.4179.6-164.183.7000111.8M422 I484 V486 N491 Y492M422-W488 HydrophobicContact CE-CB 4.41Å; I484-W488 VanDerWaalsContact O-CB 3.27Å; I484-W488 WeakPolarHBondContact O-CB 3.26Å; I484-W488 PolarHBondContact O-N 2.88Å; V486-W488 PolarHBondContact O-N 3.23Å; W488-N491 PolarHBondContact O-N 3.35Å; W488-Y492 WeakPolarHBondContact O-CB 3.39Å; W488-Y492 PolarHBondContact O-N 3.05Å
489G95.1Very high94.3Very high27 Ų2753.8 Ų53.828%0.27830%0.297SS..Hα-helixtrans-61.7-51.217700000112.3A485 V486 N491 Y492 V493A485-G489 PolarHBondContact O-N 3.18Å; V486-G489 PolarHBondContact O-N 3.4Å; G489-N491 VanDerWaalsContact C-N 3.32Å; G489-N491 PolarHBondContact O-N 2.87Å; G489-Y492 PolarHBondContact O-N 3.47Å; G489-V493 WeakPolarHBondContact O-CB 3.47Å; G489-V493 VanDerWaalsContact O-CG2 3.22Å; G489-V493 WeakPolarHBondContact O-CG2 3.39Å; G489-V493 PolarHBondContact O-N 2.85Å
490T94.2Very high93.6Very high31 Ų3156.6 Ų56.619%0.1932%0.316CS..Hα-helixtrans-62.7-39.3176.951.80000112.1N426 Y428 V486 S487 L494N426-T490 PolarHBondContact ND2-OG1 3.1Å; N426-T490 PolarHBondContact OD1-OG1 2.98Å; Y428-T490 HydrophobicContact CD2-CG2 4.04Å; Y428-T490 HydrophobicContact CG-CG2 3.96Å; V486-T490 HydrophobicContact CG1-CG2 4.1Å; V486-T490 WeakPolarHBondContact O-CB 3.44Å; V486-T490 VanDerWaalsContact O-CG2 3.31Å; V486-T490 WeakPolarHBondContact O-CG2 3.38Å; V486-T490 PolarHBondContact O-N 3.23Å; V486-T490 PolarHBondContact O-OG1 3.38Å; S487-T490 PolarHBondContact O-OG1 2.96Å; T490-L494 WeakPolarHBondContact O-CB 3.4Å; T490-L494 WeakPolarHBondContact O-CG 3.42Å; T490-L494 PolarHBondContact O-N 2.87Å; T490-L494 VanDerWaalsContact O-N 3.09Å
491N91.6Very high92.8Very high26 Ų2658.7 Ų58.714%0.13933%0.33CS..Hα-helixtrans-61.6-46.3174.6-172.6-95.7000111.7S487 W488 G489 M495S487-N491 WeakPolarHBondContact O-CB 3.05Å; S487-N491 PolarHBondContact O-N 3.45Å; W488-N491 PolarHBondContact O-N 3.35Å; G489-N491 VanDerWaalsContact C-N 3.32Å; G489-N491 PolarHBondContact O-N 2.87Å; N491-M495 WeakPolarHBondContact O-CB 3.41Å; N491-M495 WeakPolarHBondContact O-CG 3.31Å; N491-M495 PolarHBondContact O-N 3.47Å
492Y92.4Very high92.1Very high119 Ų11961.5 Ų61.547%0.46734%0.341SS..Hα-helixtrans-64-48.5179.3177.8-93.2000112.2W488 G489 N496 I498W488-Y492 WeakPolarHBondContact O-CB 3.39Å; W488-Y492 PolarHBondContact O-N 3.05Å; G489-Y492 PolarHBondContact O-N 3.47Å; Y492-N496 WeakPolarHBondContact CD2-ND2 3.22Å; Y492-N496 WeakPolarHBondContact CE2-ND2 3.47Å; Y492-N496 VanDerWaalsContact CZ-ND2 3.25Å; Y492-N496 VanDerWaalsContact O-CB 3.32Å; Y492-N496 WeakPolarHBondContact O-CB 3.39Å; Y492-N496 PolarHBondContact O-N 3.42Å; Y492-N496 PolarHBondContact O-ND2 3.49Å; Y492-N496 VanDerWaalsContact O-ND2 3.12Å; Y492-I498 HydrophobicContact CD1-CD1 4.14Å; Y492-I498 HydrophobicContact CE1-CD1 3.61Å
493V93.8Very high91.4Very high37 Ų3767.6 Ų67.622%0.22436%0.36CS..Hα-helixtrans-68.5-39.1-174.1174.40000111.6G489 I498 L499G489-V493 WeakPolarHBondContact O-CB 3.47Å; G489-V493 VanDerWaalsContact O-CG2 3.22Å; G489-V493 WeakPolarHBondContact O-CG2 3.39Å; G489-V493 PolarHBondContact O-N 2.85Å; V493-I498 HydrophobicContact CB-CB 4.49Å; V493-I498 HydrophobicContact CG1-CB 3.84Å; V493-I498 HydrophobicContact CG1-CG2 3.93Å; V493-I498 PolarHBondContact O-N 2.87Å; V493-L499 HydrophobicContact CG1-CB 3.72Å; V493-L499 HydrophobicContact CG1-CD1 3.42Å; V493-L499 VanDerWaalsContact CG1-CD1 3.42Å; V493-L499 HydrophobicContact CG1-CG 3.31Å; V493-L499 PolarHBondContact O-N 3.35Å; V493-L499 VanDerWaalsContact O-N 3.16Å
494L91.2Very high90.9Very high9 Ų967.6 Ų67.65%0.04736%0.361CS..Hα-helixtrans-77.2-40.4177.8-70.2165.9000112.3Y428 T490 N496 G497 L499 D504 V509 V510Y428-L494 HydrophobicContact CE2-CD1 4.35Å; T490-L494 WeakPolarHBondContact O-CB 3.4Å; T490-L494 WeakPolarHBondContact O-CG 3.42Å; T490-L494 PolarHBondContact O-N 2.87Å; T490-L494 VanDerWaalsContact O-N 3.09Å; L494-N496 PolarHBondContact O-N 2.9Å; L494-G497 PolarHBondContact O-N 3.18Å; L494-L499 HydrophobicContact CD2-CB 3.95Å; L494-D504 HydrophobicContact CD1-CB 4.12Å; L494-D504 HydrophobicContact CD2-CB 4.3Å; L494-V509 HydrophobicContact CB-CB 4.26Å; L494-V509 HydrophobicContact CB-CG1 3.81Å; L494-V509 HydrophobicContact CD1-CB 3.75Å; L494-V509 HydrophobicContact CD1-CG1 4.16Å; L494-V509 HydrophobicContact CD1-CG2 3.81Å; L494-V510 HydrophobicContact CB-CG1 4.11Å; L494-V510 HydrophobicContact CB-CG2 4.41Å; L494-V510 HydrophobicContact CD2-CG2 4.41Å
495M88.9Confident90.3Very high84 Ų8469.4 Ų69.441%0.41438%0.375SS..Hα-helixtrans-69.5-31.6180-73.4-69.2179.600113.2N491 G497 V509 V510N491-M495 WeakPolarHBondContact O-CB 3.41Å; N491-M495 WeakPolarHBondContact O-CG 3.31Å; N491-M495 PolarHBondContact O-N 3.47Å; M495-G497 VanDerWaalsContact C-N 3.29Å; M495-V509 HydrophobicContact CE-CG1 3.86Å; M495-V509 WeakPolarHBondContact CE-O 3.36Å; M495-V509 HydrophobicContact CG-CG1 4.03Å; M495-V510 HydrophobicContact SD-CG1 4.15Å
496N90.2Very high89.6Confident97 Ų9770.1 Ų70.152%0.51937%0.366SS..THydrogen-bonded Turntrans-87.54.4176.8-66.3-35.6000113.4Y492 L494 I498Y492-N496 WeakPolarHBondContact CD2-ND2 3.22Å; Y492-N496 WeakPolarHBondContact CE2-ND2 3.47Å; Y492-N496 VanDerWaalsContact CZ-ND2 3.25Å; Y492-N496 VanDerWaalsContact O-CB 3.32Å; Y492-N496 WeakPolarHBondContact O-CB 3.39Å; Y492-N496 PolarHBondContact O-N 3.42Å; Y492-N496 PolarHBondContact O-ND2 3.49Å; Y492-N496 VanDerWaalsContact O-ND2 3.12Å; L494-N496 PolarHBondContact O-N 2.9Å; N496-I498 HydrophobicContact CB-CD1 4.31Å; N496-I498 HydrophobicContact CB-CG1 4.18Å; N496-I498 PolarHBondContact O-N 3.15Å
497G85Confident88.9Confident55 Ų5572.9 Ų72.957%0.56738%0.378SS*.THydrogen-bonded Turntrans65.219.5-179.400000114.5L494 M495 L499L494-G497 PolarHBondContact O-N 3.18Å; M495-G497 VanDerWaalsContact C-N 3.29Å; G497-L499 VanDerWaalsContact C-N 3.32Å
498I89.8Confident88.1Confident104 Ų10473.5 Ų73.553%0.53338%0.382SS..SBendtrans-68-38.9173.7-61.7171.6000109.4Y492 V493 N496Y492-I498 HydrophobicContact CD1-CD1 4.14Å; Y492-I498 HydrophobicContact CE1-CD1 3.61Å; V493-I498 HydrophobicContact CB-CB 4.49Å; V493-I498 HydrophobicContact CG1-CB 3.84Å; V493-I498 HydrophobicContact CG1-CG2 3.93Å; V493-I498 PolarHBondContact O-N 2.87Å; N496-I498 HydrophobicContact CB-CD1 4.31Å; N496-I498 HydrophobicContact CB-CG1 4.18Å; N496-I498 PolarHBondContact O-N 3.15Å
499L88Confident87.3Confident59 Ų5966.7 Ų66.731%0.30936%0.356SS..SBendtrans-101.6141.4164.4-78.3172.3000110.2V493 L494 G497 W503V493-L499 HydrophobicContact CG1-CB 3.72Å; V493-L499 HydrophobicContact CG1-CD1 3.42Å; V493-L499 VanDerWaalsContact CG1-CD1 3.42Å; V493-L499 HydrophobicContact CG1-CG 3.31Å; V493-L499 PolarHBondContact O-N 3.35Å; V493-L499 VanDerWaalsContact O-N 3.16Å; L494-L499 HydrophobicContact CD2-CB 3.95Å; G497-L499 VanDerWaalsContact C-N 3.32Å; L499-W503 HydrophobicContact CD1-CE3 4.35Å; L499-W503 HydrophobicContact CD2-CD2 4.09Å; L499-W503 HydrophobicContact CD2-CE3 3.49Å; L499-W503 VanDerWaalsContact CD2-CE3 3.49Å; L499-W503 HydrophobicContact CD2-CZ3 3.76Å; L499-W503 HydrophobicContact CG-CE3 4.47Å
500P84.6Confident86.2Confident60 Ų6067.7 Ų67.739%0.3936%0.357SS..  trans-56143.6172.8-23.233.1000111.2E502 W503P500-E502 PolarHBondContact O-N 3.24Å; P500-E502 VanDerWaalsContact O-N 3.11Å; P500-W503 WeakPolarHBondContact O-CB 3.37Å; P500-W503 PolarHBondContact O-N 3.44Å
501P82Confident85.3Confident68 Ų6869.4 Ų69.444%0.44237%0.365SS..G310 helixtrans-56.7-29.9178-26.934.9000113.7W503 D504 V510 N511P501-W503 PolarHBondContact O-N 3.47Å; P501-W503 VanDerWaalsContact O-N 3.1Å; P501-D504 WeakPolarHBondContact O-CB 3.38Å; P501-D504 PolarHBondContact O-N 3.16Å; P501-V510 HydrophobicContact CB-CG2 3.93Å; P501-N511 PolarHBondContact O-ND2 3.33Å
502E83.8Confident84.5Confident167 Ų16770.2 Ų70.278%0.7837%0.369SS*.G310 helixtrans-56.8-24.2176.3-62.9170.8-172.500113.4P500 D504P500-E502 PolarHBondContact O-N 3.24Å; P500-E502 VanDerWaalsContact O-N 3.11Å; E502-D504 PolarHBondContact O-N 2.92Å
503W84.2Confident83.2Confident159 Ų15967.4 Ų67.460%0.60237%0.365SS*.G310 helixtrans-82.7-0.3179.1-71.837.4000112.8L499 P500 P501 V505L499-W503 HydrophobicContact CD1-CE3 4.35Å; L499-W503 HydrophobicContact CD2-CD2 4.09Å; L499-W503 HydrophobicContact CD2-CE3 3.49Å; L499-W503 VanDerWaalsContact CD2-CE3 3.49Å; L499-W503 HydrophobicContact CD2-CZ3 3.76Å; L499-W503 HydrophobicContact CG-CE3 4.47Å; P500-W503 WeakPolarHBondContact O-CB 3.37Å; P500-W503 PolarHBondContact O-N 3.44Å; P501-W503 PolarHBondContact O-N 3.47Å; P501-W503 VanDerWaalsContact O-N 3.1Å; W503-V505 PolarHBondContact O-N 3.36Å
504D86.6Confident81.5Confident1 Ų171.7 Ų71.71%0.00539%0.391CS..  trans-7666.1166.9-168.815.4000111.1Y428 L494 P501 E502 F506 M507 C508 V509 V510 N511Y428-D504 WeakPolarHBondContact CE2-OD1 3.23Å; Y428-D504 WeakPolarHBondContact OH-CA 3.29Å; Y428-D504 PolarHBondContact OH-OD1 3.06Å; L494-D504 HydrophobicContact CD1-CB 4.12Å; L494-D504 HydrophobicContact CD2-CB 4.3Å; P501-D504 WeakPolarHBondContact O-CB 3.38Å; P501-D504 PolarHBondContact O-N 3.16Å; E502-D504 PolarHBondContact O-N 2.92Å; D504-F506 VanDerWaalsContact C-N 3.31Å; D504-F506 PolarHBondContact O-N 3.14Å; D504-M507 WeakPolarHBondContact O-CA 3.25Å; D504-M507 WeakPolarHBondContact O-CG 3.46Å; D504-M507 PolarHBondContact O-N 3.32Å; D504-M507 PolarHBondContact OD1-N 3.13Å; D504-C508 PolarHBondContact OD1-N 2.75Å; D504-C508 VanDerWaalsContact OD1-N 3.17Å; D504-C508 PolarHBondContact OD2-N 3.25Å; D504-C508 VanDerWaalsContact OD2-N 3.13Å; D504-V509 PolarHBondContact OD2-N 3.45Å; D504-V510 HydrophobicContact CB-CG2 3.6Å; D504-V510 PolarHBondContact OD2-N 2.8Å; D504-N511 HydrophobicContact CB-CB 4.49Å; D504-N511 PolarHBondContact OD2-N 2.96Å; D504-N511 VanDerWaalsContact OD2-N 3.09Å
505V85.8Confident79.8Confident109 Ų10979.9 Ų79.966%0.66143%0.429SS*.THydrogen-bonded Turntrans-55.3-39.8-178.3-1790000113.2Y428 W503 M507Y428-V505 PolarHBondContact OH-N 3.44Å; W503-V505 PolarHBondContact O-N 3.36Å; V505-M507 VanDerWaalsContact C-N 3.27Å
506F84.7Confident78.1Confident77 Ų7780.2 Ų80.234%0.33843%0.426SS..THydrogen-bonded Turntrans-84.2-0.7175.5-66-52.3000113.4T427 Y428 L431 D504 C508T427-F506 HydrophobicContact CG2-CB 4.2Å; T427-F506 HydrophobicContact CG2-CD1 4.14Å; T427-F506 HydrophobicContact CG2-CD2 3.94Å; T427-F506 HydrophobicContact CG2-CE2 4.4Å; T427-F506 HydrophobicContact CG2-CG 3.84Å; Y428-F506 AromaticContact CD1-CD2 3.35Å; Y428-F506 HydrophobicContact CD1-CD2 3.35Å; Y428-F506 AromaticContact CD1-CE2 3.65Å; Y428-F506 HydrophobicContact CD1-CE2 3.65Å; Y428-F506 HydrophobicContact CD2-CD2 4.41Å; Y428-F506 HydrophobicContact CE1-CB 4.34Å; Y428-F506 AromaticContact CE1-CD2 3.22Å; Y428-F506 HydrophobicContact CE1-CD2 3.22Å; Y428-F506 AromaticContact CE1-CE2 3.78Å; Y428-F506 HydrophobicContact CE1-CE2 3.78Å; Y428-F506 HydrophobicContact CE1-CG 4.11Å; Y428-F506 HydrophobicContact CE2-CB 4.38Å; Y428-F506 HydrophobicContact CE2-CD2 4.32Å; Y428-F506 AromaticContact CG-CD2 3.94Å; Y428-F506 HydrophobicContact CG-CD2 3.94Å; Y428-F506 HydrophobicContact CG-CE2 4.45Å; Y428-F506 AromaticContact CZ-CD2 3.72Å; Y428-F506 PolarHBondContact OH-N 3.28Å; L431-F506 HydrophobicContact CD2-CE2 4.08Å; L431-F506 HydrophobicContact CD2-CZ 3.77Å; D504-F506 VanDerWaalsContact C-N 3.31Å; D504-F506 PolarHBondContact O-N 3.14Å; F506-C508 PolarHBondContact O-N 2.89Å
507M83.1Confident76.3Confident97 Ų9778.8 Ų78.848%0.47842%0.418SS..  trans5246173.8-65.6-178177.900111.6D504 V505 N511 I512 P513D504-M507 WeakPolarHBondContact O-CA 3.25Å; D504-M507 WeakPolarHBondContact O-CG 3.46Å; D504-M507 PolarHBondContact O-N 3.32Å; D504-M507 PolarHBondContact OD1-N 3.13Å; V505-M507 VanDerWaalsContact C-N 3.27Å; M507-N511 HydrophobicContact CB-CB 4.39Å; M507-N511 VanDerWaalsContact CB-O 3.29Å; M507-N511 WeakPolarHBondContact CB-O 3.23Å; M507-N511 HydrophobicContact CG-CB 4.13Å; M507-I512 WeakPolarHBondContact O-CA 3.4Å; M507-P513 HydrophobicContact CB-CG 4.21Å; M507-P513 WeakPolarHBondContact O-CD 3.47Å; M507-P513 HydrophobicContact SD-CG 4.34Å
508C81.2Confident74.6Confident13 Ų1382.8 Ų82.89%0.08843%0.425CS..  trans-122.3-4.8-170.767.10000114.4Y428 D504 F506Y428-C508 WeakPolarHBondContact CE2-SG 3.45Å; D504-C508 PolarHBondContact OD1-N 2.75Å; D504-C508 VanDerWaalsContact OD1-N 3.17Å; D504-C508 PolarHBondContact OD2-N 3.25Å; D504-C508 VanDerWaalsContact OD2-N 3.13Å; F506-C508 PolarHBondContact O-N 2.89Å
509V77.1Confident73Confident1 Ų178.3 Ų78.31%0.00640%0.402CS..SBendtrans-118.7-59.9-178.9-173.90000111.2Y428 L494 M495 D504Y428-V509 HydrophobicContact CE2-CG2 4.32Å; L494-V509 HydrophobicContact CB-CB 4.26Å; L494-V509 HydrophobicContact CB-CG1 3.81Å; L494-V509 HydrophobicContact CD1-CB 3.75Å; L494-V509 HydrophobicContact CD1-CG1 4.16Å; L494-V509 HydrophobicContact CD1-CG2 3.81Å; M495-V509 HydrophobicContact CE-CG1 3.86Å; M495-V509 WeakPolarHBondContact CE-O 3.36Å; M495-V509 HydrophobicContact CG-CG1 4.03Å; D504-V509 PolarHBondContact OD2-N 3.45Å
510V72.8Confident71Confident49 Ų4983.5 Ų83.530%0.29742%0.422SS..SBendtrans-112.5-35.2-175.3-70.60000112.7L494 M495 P501 D504 I512L494-V510 HydrophobicContact CB-CG1 4.11Å; L494-V510 HydrophobicContact CB-CG2 4.41Å; L494-V510 HydrophobicContact CD2-CG2 4.41Å; M495-V510 HydrophobicContact SD-CG1 4.15Å; P501-V510 HydrophobicContact CB-CG2 3.93Å; D504-V510 HydrophobicContact CB-CG2 3.6Å; D504-V510 PolarHBondContact OD2-N 2.8Å; V510-I512 PolarHBondContact O-N 3.47Å
511N75.5Confident68.7Low66 Ų6684.5 Ų84.535%0.35342%0.424SS..SBendtrans-99.141.9-177.3-68.2-24.4000112.5P501 D504 M507 P513P501-N511 PolarHBondContact O-ND2 3.33Å; D504-N511 HydrophobicContact CB-CB 4.49Å; D504-N511 PolarHBondContact OD2-N 2.96Å; D504-N511 VanDerWaalsContact OD2-N 3.09Å; M507-N511 HydrophobicContact CB-CB 4.39Å; M507-N511 VanDerWaalsContact CB-O 3.29Å; M507-N511 WeakPolarHBondContact CB-O 3.23Å; M507-N511 HydrophobicContact CG-CB 4.13Å; N511-P513 VanDerWaalsContact O-CD 3.3Å; N511-P513 WeakPolarHBondContact O-CD 3.27Å
512I74.5Confident66.9Low44 Ų4482.6 Ų82.623%0.22641%0.412CS..  trans-66.6119.1-172.2-54.2174.4000110.1M507 V510M507-I512 WeakPolarHBondContact O-CA 3.4Å; V510-I512 PolarHBondContact O-N 3.47Å
513P64.4Low64.7Low60 Ų6077.1 Ų77.139%0.3939%0.391SS..  trans-65140.1179.7-18.631.6000111M507 N511 E515M507-P513 HydrophobicContact CB-CG 4.21Å; M507-P513 WeakPolarHBondContact O-CD 3.47Å; M507-P513 HydrophobicContact SD-CG 4.34Å; N511-P513 VanDerWaalsContact O-CD 3.3Å; N511-P513 WeakPolarHBondContact O-CD 3.27Å; P513-E515 PolarHBondContact O-N 3.21Å
514T58Low62.4Low126 Ų12675.4 Ų75.477%0.77339%0.394SS*.THydrogen-bonded Turntrans-62.6-26.6177-2.40000112.6R516 V550T514-R516 VanDerWaalsContact C-N 3.34Å; T514-R516 PolarHBondContact O-N 2.96Å; T514-V550 HydrophobicContact CG2-CG1 4.43Å
515E55.2Low59.9Low181 Ų18178.7 Ų78.785%0.84642%0.421SS*.THydrogen-bonded Turntrans-87.723.7-175.6-67.6-177.4171.100114.8P513 I517P513-E515 PolarHBondContact O-N 3.21Å; E515-I517 PolarHBondContact O-N 3.17Å
516R53.5Low57.4Low91 Ų9175.9 Ų75.934%0.34341%0.409SS..  trans-55.5122.6173.4-92.4-166.4-169.4-159.74.7109.7R114 K115 T514 I518R114-R516 PolarHBondContact O-NH1 2.65Å; K115-R516 PolarHBondContact O-NH1 3.08Å; T514-R516 VanDerWaalsContact C-N 3.34Å; T514-R516 PolarHBondContact O-N 2.96Å; R516-I518 PolarHBondContact O-N 3.39Å
517I51.7Low54.9Low67 Ų6774.2 Ų74.234%0.34441%0.407SS..  trans-47.5112.3-177.1-61.4170.7000109.7L361 T365 E515 L519L361-I517 HydrophobicContact CD2-CG2 3.84Å; L361-I517 WeakPolarHBondContact O-CD1 3.42Å; T365-I517 HydrophobicContact CG2-CD1 4.18Å; E515-I517 PolarHBondContact O-N 3.17Å; I517-L519 PolarHBondContact O-N 3.16Å
518I50Low52.7Low140 Ų14077.2 Ų77.272%0.71842%0.422SS*.  trans-72.697.8173.6-53.9174.6000106.3R516 K520R516-I518 PolarHBondContact O-N 3.39Å; I518-K520 PolarHBondContact O-N 2.9Å
519L55.8Low50.5Low9 Ų982.9 Ų82.95%0.04745%0.451CS..  trans-55.8114.6161-68.4-174.6000106Y105 D110 R114 L361 I517 D521Y105-L519 HydrophobicContact CD1-CD1 4.22Å; Y105-L519 HydrophobicContact CE1-CD1 4.34Å; D110-L519 HydrophobicContact CB-CD1 3.61Å; R114-L519 HydrophobicContact CG-CD1 3.51Å; R114-L519 HydrophobicContact CG-CG 3.96Å; R114-L519 PolarHBondContact NH2-O 3.09Å; L361-L519 HydrophobicContact CD1-CD2 3.74Å; L361-L519 HydrophobicContact CD2-CD2 3.95Å; I517-L519 PolarHBondContact O-N 3.16Å; L519-D521 PolarHBondContact O-N 2.9Å
520K45.8Very low48.3Very low168 Ų16885.8 Ų85.873%0.7347%0.469SS*.  trans-15.2106.8179.3-111.8-176.7177.5179.20110.4I518 P522I518-K520 PolarHBondContact O-N 2.9Å; K520-P522 WeakPolarHBondContact O-CD 3.27Å
521D38Very low46.3Very low82 Ų8290.6 Ų90.644%0.43949%0.492SS..  trans-57.1112.7-173.6-165.5-28.3000108.7L519 S523 L524L519-D521 PolarHBondContact O-N 2.9Å; D521-S523 PolarHBondContact O-N 2.93Å; D521-S523 VanDerWaalsContact O-N 3.13Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 3.07Å; D521-S523 PolarHBondContact OD1-OG 3.46Å; D521-S523 PolarHBondContact OD2-OG 3.4Å; D521-L524 PolarHBondContact O-N 2.85Å
522P43.4Very low44.4Very low28 Ų2891.5 Ų91.518%0.18250%0.504CS..Hα-helixtrans-61.9-22.3-177.7-13.122.8000111.7E103 K520 L524 A525 A526E103-P522 WeakPolarHBondContact O-CG 3.47Å; K520-P522 WeakPolarHBondContact O-CD 3.27Å; P522-L524 PolarHBondContact O-N 3.34Å; P522-A525 PolarHBondContact O-N 2.89Å; P522-A525 VanDerWaalsContact O-N 3.1Å; P522-A526 WeakPolarHBondContact O-CB 3.28Å; P522-A526 PolarHBondContact O-N 3.1Å
523S38Very low42.3Very low51 Ų5195.6 Ų95.636%0.35753%0.526SS..Hα-helixtrans-62.2-27.3175.568.80000111.9D521 S527D521-S523 PolarHBondContact O-N 2.93Å; D521-S523 VanDerWaalsContact O-N 3.13Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 3.07Å; D521-S523 PolarHBondContact OD1-OG 3.46Å; D521-S523 PolarHBondContact OD2-OG 3.4Å; S523-S527 WeakPolarHBondContact O-CA 3.48Å; S523-S527 WeakPolarHBondContact O-CB 3.38Å; S523-S527 PolarHBondContact O-N 3.34Å; S523-S527 PolarHBondContact O-OG 3.43Å
524L34.7Very low40.5Very low124 Ų12497 Ų9765%0.64954%0.543SS*.Hα-helixtrans-67.3-41.5172.2-105.988.9000111.8D521 P522 S527 M528D521-L524 PolarHBondContact O-N 2.85Å; P522-L524 PolarHBondContact O-N 3.34Å; L524-S527 PolarHBondContact O-OG 3.41Å; L524-M528 PolarHBondContact O-N 2.92Å
525A34.5Very low38.9Very low70 Ų70103.2 Ų103.258%0.57955%0.552SS**Hα-helixtrans-73.1-40.6177.600000111.9P522 M528P522-A525 PolarHBondContact O-N 2.89Å; P522-A525 VanDerWaalsContact O-N 3.1Å; A525-M528 PolarHBondContact O-N 2.96Å
526A32.4Very low37.7Very low50 Ų5099.4 Ų99.441%0.41354%0.541SS..Hα-helixtrans-70.2-32.2176.700000112.2P522 M528 D529 T530P522-A526 WeakPolarHBondContact O-CB 3.28Å; P522-A526 PolarHBondContact O-N 3.1Å; A526-M528 VanDerWaalsContact C-N 3.31Å; A526-M528 PolarHBondContact O-N 2.85Å; A526-D529 PolarHBondContact O-N 3.08Å; A526-T530 WeakPolarHBondContact O-CB 3.41Å; A526-T530 PolarHBondContact O-N 3.06Å; A526-T530 PolarHBondContact O-OG1 2.86Å
527S33.5Very low36.3Very low42 Ų42104 Ų10429%0.29457%0.566SS.*Hα-helixtrans-68.2-28.5178.666.20000112.6S523 L524 D529 L531S523-S527 WeakPolarHBondContact O-CA 3.48Å; S523-S527 WeakPolarHBondContact O-CB 3.38Å; S523-S527 PolarHBondContact O-N 3.34Å; S523-S527 PolarHBondContact O-OG 3.43Å; L524-S527 PolarHBondContact O-OG 3.41Å; S527-D529 VanDerWaalsContact C-N 3.33Å; S527-D529 PolarHBondContact O-N 3.24Å; S527-L531 WeakPolarHBondContact O-CB 3.46Å; S527-L531 WeakPolarHBondContact O-CD1 3.33Å; S527-L531 WeakPolarHBondContact O-CG 3.37Å; S527-L531 PolarHBondContact O-N 3.12Å
528M35.9Very low35Very low160 Ų160111 Ų11179%0.78859%0.588SS**Hα-helixtrans-68-33.9174.2-66.9-174.281.300112.1L524 A525 A526L524-M528 PolarHBondContact O-N 2.92Å; A525-M528 PolarHBondContact O-N 2.96Å; A526-M528 VanDerWaalsContact C-N 3.31Å; A526-M528 PolarHBondContact O-N 2.85Å
529D35.4Very low33.9Very low131 Ų131109 Ų10970%0.70159%0.587SS**Hα-helixtrans-84.6-35.8176.2-76.6-18.2000112.6A526 S527 S532A526-D529 PolarHBondContact O-N 3.08Å; S527-D529 VanDerWaalsContact C-N 3.33Å; S527-D529 PolarHBondContact O-N 3.24Å; D529-S532 PolarHBondContact O-OG 3.28Å
530T31.1Very low32.5Very low62 Ų62117.6 Ų117.638%0.3862%0.624SS.*Hα-helixtrans-91.4-14.7-174.753.20000115.1A526 S532 N533A526-T530 WeakPolarHBondContact O-CB 3.41Å; A526-T530 PolarHBondContact O-N 3.06Å; A526-T530 PolarHBondContact O-OG1 2.86Å; T530-S532 PolarHBondContact O-N 3.02Å; T530-S532 VanDerWaalsContact O-N 3.11Å; T530-N533 CarbonylContact O-C 3.44Å; T530-N533 VanDerWaalsContact O-C 3.22Å; T530-N533 PolarHBondContact O-N 3.47Å; T530-N533 VanDerWaalsContact O-O 3.1Å
531L31.9Very low31.7Very low150 Ų150112.3 Ų112.379%0.78562%0.617SS**THydrogen-bonded Turntrans-63.7-14168.4-83.6165.8000112.6S527S527-L531 WeakPolarHBondContact O-CB 3.46Å; S527-L531 WeakPolarHBondContact O-CD1 3.33Å; S527-L531 WeakPolarHBondContact O-CG 3.37Å; S527-L531 PolarHBondContact O-N 3.12Å
532S35.3Very low31.7Very low85 Ų85114.4 Ų114.459%0.59463%0.633SS**THydrogen-bonded Turntrans-74.7-25.7168.172.40000113.3D529 T530D529-S532 PolarHBondContact O-OG 3.28Å; T530-S532 PolarHBondContact O-N 3.02Å; T530-S532 VanDerWaalsContact O-N 3.11Å
533N29.1Very low30.9Very low131 Ų131119.1 Ų119.170%0.70165%0.654SS**SBendtrans-156.1114.2-176.5-76.4-55.2000113.3T530T530-N533 CarbonylContact O-C 3.44Å; T530-N533 VanDerWaalsContact O-C 3.22Å; T530-N533 PolarHBondContact O-N 3.47Å; T530-N533 VanDerWaalsContact O-O 3.1Å
534A26.5Very low30.7Very low90 Ų90119.5 Ų119.574%0.74465%0.652SS**  trans87.7128.7161.100000119.4V536A534-V536 PolarHBondContact O-N 2.99Å
535R25Very low30.6Very low255 Ų255118 Ų11896%0.96265%0.65SS**  trans-62.6115.8177.1-68.1177.1-173.9175.91.5110.9H537R535-H537 PolarHBondContact O-N 3.34Å
536V31.1Very low30.6Very low102 Ų102117.1 Ų117.162%0.61864%0.643SS**PPolyproline II helixtrans-72.3120.5176.7178.50000110.3A534A534-V536 PolarHBondContact O-N 2.99Å
537H23.5Very low30.6Very low186 Ų186119.3 Ų119.386%0.86165%0.647SS**PPolyproline II helixtrans-88.2116.5171.5-129.3-71.6000109R535 S539R535-H537 PolarHBondContact O-N 3.34Å; H537-S539 PolarHBondContact O-N 3.05Å
538W24.3Very low30.4Very low215 Ų215122 Ų12281%0.81466%0.658SS**PPolyproline II helixtrans-71.9123.9179.7-69.891.5000111.6
539S26.5Very low30.1Very low99 Ų99121.1 Ų121.169%0.69266%0.656SS**  trans-91.2111.9169.5169.90000109.8H537 G541H537-S539 PolarHBondContact O-N 3.05Å; S539-G541 PolarHBondContact O-N 3.25Å
540K25.9Very low29.8Very low188 Ų188118.8 Ų118.882%0.81765%0.647SS**THydrogen-bonded Turntrans-72.825.4-178.4-79.4-175172.6-178.90114.9
541G29.4Very low29.6Very low57 Ų57123 Ų12359%0.58867%0.666SS**THydrogen-bonded Turntrans-98.9-15.1-168.400000117.7S539S539-G541 PolarHBondContact O-N 3.25Å
542T37.2Very low29.5Very low126 Ų126121.2 Ų121.277%0.77366%0.662SS**SBendtrans-119.2-1.7-167.449.70000115.3
543M27.7Very low29.2Very low128 Ų128125.8 Ų125.863%0.63167%0.674SS**SBendtrans-104.5130.9171.2-98.8-177.6-177.200111.1L547M543-L547 HydrophobicContact CG-CD1 4.25Å
544N34.5Very low29.2Very low58 Ų58131 Ų13131%0.3168%0.684SS.*  trans-57.4127.3170.2-177.5-12.2000108.8A546 L547N544-A546 PolarHBondContact O-N 2.69Å; N544-A546 PolarHBondContact OD1-N 3.02Å; N544-L547 PolarHBondContact O-N 3.33Å
545P31.1Very low29.3Very low92 Ų92131.1 Ų131.160%0.59768%0.679SS**G310 helixtrans-56.2-18.5-17817.5-30.2000114.8L547 L548P545-L547 PolarHBondContact O-N 3.09Å; P545-L548 WeakPolarHBondContact O-CB 3.21Å; P545-L548 PolarHBondContact O-N 2.74Å
546A35.2Very low29.5Very low52 Ų52126.8 Ų126.843%0.4367%0.674SS.*G310 helixtrans-58.6-26.3170.400000113.6N544N544-A546 PolarHBondContact O-N 2.69Å; N544-A546 PolarHBondContact OD1-N 3.02Å
547L32.6Very low29.5Very low96 Ų96125.8 Ų125.850%0.50367%0.672SS.*G310 helixtrans-81.7-15.9175-68.6169.2000113.2M543 N544 P545M543-L547 HydrophobicContact CG-CD1 4.25Å; N544-L547 PolarHBondContact O-N 3.33Å; P545-L547 PolarHBondContact O-N 3.09Å
548L29.7Very low29.7Very low99 Ų99123.6 Ų123.652%0.51867%0.666SS.*G310 helixtrans-81.9-20.6178.9-78.2164.3000112.9P545 V550P545-L548 WeakPolarHBondContact O-CB 3.21Å; P545-L548 PolarHBondContact O-N 2.74Å; L548-V550 VanDerWaalsContact C-N 3.35Å; L548-V550 PolarHBondContact O-N 2.89Å
549N29.2Very low29.8Very low141 Ų141120.1 Ų120.175%0.75467%0.668SS**G310 helixtrans-87.57.4-178.4-86.44000114.9
550V28.8Very low29.9Very low83 Ų83120.3 Ų120.350%0.50367%0.67SS.*G310 helixtrans-85.6-4-176.6-1760000113.7T514 L548T514-V550 HydrophobicContact CG2-CG1 4.43Å; L548-V550 VanDerWaalsContact C-N 3.35Å; L548-V550 PolarHBondContact O-N 2.89Å
551N28Very low30Very low149 Ų149116.3 Ų116.380%0.79767%0.666SS**SBendtrans-124.334.3-172.1-87.1-12000117.2
552T29.1Very low29.9Very low113 Ų113122 Ų12269%0.69368%0.682SS**SBendtrans-125.1-5172.3-4.60000117.7
553E29.8Very low29.4Very low182 Ų182122 Ų12285%0.8568%0.682SS**SBendtrans-119.6-7.7-179.4-72.2-171.3166.400116.2
554R28.4Very low29.2Very low240 Ų240122.2 Ų122.291%0.90669%0.69SS**SBendtrans-102.75.8-178.1-98-175.5178.1179.50.5117.2
555S28.5Very low28.8Very low92 Ų92125.9 Ų125.964%0.64372%0.715SS**SBendtrans-107.53.7176.459.60000115.6
556L28.7Very low28.9Very low165 Ų165127.3 Ų127.386%0.86473%0.725SS**SBendtrans-115.31.9-179.1-77.1170.9000116.4
557S30.8Very low28.4Very low80 Ų80131.2 Ų131.256%0.55974%0.743SS**SBendtrans-109.8-5-179.154.20000116.9
558N27.9Very low28.2Very low140 Ų140133 Ų13375%0.74976%0.757SS**SBendtrans-117.821.4-173.8-81.1-0.3000116.5
559V27.3Very low28Very low142 Ų142134.7 Ų134.786%0.86177%0.767SS**SBendtrans-103.119175.5-169.80000113.1
560S28.3Very low27.9Very low104 Ų104135.4 Ų135.473%0.72777%0.77SS**SBendtrans-133.561.6175.260.60000113.4
561S27Very low27.7Very low104 Ų104136.4 Ų136.473%0.72778%0.781SS**  trans177.869.315740.10000112.4
562L28.2Very low27.7Very low176 Ų176134.1 Ų134.192%0.92178%0.783SS**  trans-130.979.3160.6-89.3155.9000108.3T564L562-T564 PolarHBondContact O-N 3.15Å
563T26.4Very low27.5Very low126 Ų126137.6 Ų137.677%0.77379%0.792SS**  trans-64.2110.2165.436.50000110.1
564T24.2Very low27.4Very low132 Ų132138.1 Ų138.181%0.8179%0.794SS**  trans24.4106.6139.154.50000117.9L562L562-T564 PolarHBondContact O-N 3.15Å
565T26.6Very low27.2Very low135 Ų135135.7 Ų135.783%0.82879%0.793SS**  trans-128.8140.7148.744.30000109.1
566P32.2Very low27Very low123 Ų123137.4 Ų137.480%0.79980%0.804SS**  trans-89.8153.1-15530.6-23.4000114
567V25.8Very low26.9Very low134 Ų134137.4 Ų137.481%0.81280%0.804SS**  trans-50.1124.3176178.70000111.5
568V27.8Very low26.8Very low132 Ų132139.1 Ų139.180%0.881%0.813SS**  trans-109.8110.4157.9176.70000106.8
569D24Very low26.9Very low136 Ų136140.8 Ų140.873%0.72782%0.821SS**  trans-66.4125.4176.4-135.8-14.2000109.5
570N28.5Very low26.9Very low155 Ų155140.3 Ų140.383%0.82982%0.818SS**  trans-143.286.9162.5-95.4-24000107.5A572N570-A572 PolarHBondContact O-N 3.01Å
571S24.6Very low27Very low105 Ų105140.6 Ų140.673%0.73482%0.82SS**  trans-58.5116.9163.751.20000110.5
572A28.6Very low27.1Very low101 Ų101142.3 Ų142.384%0.83583%0.826SS**  trans-138.196.5154.700000106.7N570N570-A572 PolarHBondContact O-N 3.01Å
573E24.2Very low27.1Very low186 Ų186139.7 Ų139.787%0.86982%0.817SS**  trans-66.9121.1175.5-66167.5141.400109.6
574E26.7Very low27.3Very low192 Ų192139.4 Ų139.490%0.89782%0.818SS**  trans-115.6101.4155.2-92.3-174.1158.300107.8C576E574-C576 PolarHBondContact O-N 3.29Å
575E24.3Very low27.4Very low190 Ų190143.2 Ų143.289%0.88882%0.823SS**  trans-59.3115171.6-75.5178.6127.100110.7
576C25.9Very low27.5Very low128 Ų128146.7 Ų146.787%0.86583%0.827SS**  trans-113.4111.6159.8-91.10000109.2E574E574-C576 PolarHBondContact O-N 3.29Å
577L25.5Very low27.4Very low165 Ų165143.1 Ų143.186%0.86481%0.813SS**  trans-53141.3179.9-80.3147.2000113.2
578P28.8Very low27.7Very low116 Ų116143.9 Ų143.975%0.75381%0.813SS**  trans-79.5124.8-173.430.6-32.8000112.4T580P578-T580 PolarHBondContact O-N 3.4Å
579L29Very low27.8Very low175 Ų175147.7 Ų147.792%0.91681%0.814SS**  trans-64.8114169.1-78.8156.9000110S581L579-S581 PolarHBondContact O-N 3.26Å
580T27.9Very low28.2Very low131 Ų131148.3 Ų148.380%0.80482%0.817SS**  trans-57.9124.4174.943.30000111.8P578 V582P578-T580 PolarHBondContact O-N 3.4Å; T580-V582 PolarHBondContact O-N 3.11Å
581S30.1Very low28.5Very low111 Ų111147.2 Ų147.278%0.77682%0.817SS**  trans-58.4118.9176.4530000112.7L579 T583L579-S581 PolarHBondContact O-N 3.26Å; S581-T583 PolarHBondContact O-N 3.49Å
582V28.8Very low28.9Very low139 Ų139150 Ų15084%0.84282%0.821SS**  trans-77113.6166.3178.60000108.2T580T580-V582 PolarHBondContact O-N 3.11Å
583T28.3Very low29Very low121 Ų121156.4 Ų156.474%0.74282%0.824SS**  trans-62.2129.2176.440.30000111.7S581S581-T583 PolarHBondContact O-N 3.49Å
584P30.6Very low29.5Very low120 Ų120158.8 Ų158.878%0.77983%0.825SS**  trans-78.8130-177.729.2-30.9000111.9K586P584-K586 PolarHBondContact O-N 3.36Å
585F26.6Very low29.8Very low212 Ų212157.9 Ų157.993%0.9383%0.825SS**  trans-63.7110.8173.7-128.9-97.4000109.9G587F585-G587 PolarHBondContact O-N 3.09Å
586K29.2Very low30.3Very low208 Ų208161.3 Ų161.390%0.90484%0.841SS**  trans-76.494.7168.2-90.3179.9171.9178.70108.9P584P584-K586 PolarHBondContact O-N 3.36Å
587G31.1Very low30.5Very low49 Ų49163 Ų16351%0.50584%0.84SS.*  trans-78.4116.1164.500000109.6F585 Y589F585-G587 PolarHBondContact O-N 3.09Å; G587-Y589 VanDerWaalsContact O-CD2 3.3Å; G587-Y589 WeakPolarHBondContact O-CD2 3.35Å; G587-Y589 PolarHBondContact O-N 3.02Å
588D31.1Very low30.8Very low150 Ų150162.9 Ų162.980%0.80284%0.838SS**  trans-69.2111.4-178.4-150.6-4.6000110.4
589Y30.6Very low30.9Very low211 Ų211165.5 Ų165.583%0.82784%0.843SS**  trans-101.226.1-170.7-95.1-77.4000113.8G587G587-Y589 VanDerWaalsContact O-CD2 3.3Å; G587-Y589 WeakPolarHBondContact O-CD2 3.35Å; G587-Y589 PolarHBondContact O-N 3.02Å
590D32.7Very low31Very low149 Ų149164.9 Ų164.980%0.79784%0.839SS**  trans-98.313.5-173.1-95.9-18.7000116.6
591T34.6Very low31.2Very low133 Ų133167.1 Ų167.182%0.81684%0.841SS**SBendtrans-103.36.8-177.5-36.30000115.6
592I31.3Very low31.3Very low162 Ų162170.8 Ų170.883%0.83185%0.845SS**SBendtrans-117.850.9180-45.7178.2000112.1
593R32Very low31.5Very low237 Ų237173.1 Ų173.189%0.89485%0.846SS**SBendtrans-130.819.9169.7-114.3-173.3-169.4-169.74.4115.3
594R33.8Very low31.7Very low235 Ų235177.1 Ų177.189%0.88785%0.854SS**SBendtrans-121.827.8176.7-71.9-164.3-170.2-174.74.9115.6
595L34.3Very low31.8Very low173 Ų173181.8 Ų181.891%0.90686%0.86SS**  trans-137.261.7166.2-73.6171.5000110.5
596H34.5Very low32.3Very low263 Ų263179.1 Ų179.1100%1.21885%0.853SS**  trans-132.70144.8-91.9-60.8000105.6

Retrieved 596 of 596 residues in 488 ms (Link to these results)

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