A0A087YKU4_POEFO Loading...

Calcium homeostasis modulator family member 5, tandem duplicate 2

AlphaFold DB , UniProt , Accession A0A087YKU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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
1M58Low68.6Low197 Ų197121.6 Ų121.697%0.9759%0.589SS**  0-34.10-85.3175.2-7900111.9N3 F4 Q5M1-N3 PolarHBondContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.21Å; M1-Q5 PolarHBondContact O-N 3.22Å
2D69.9Low68.2Low111 Ų111120.5 Ų120.559%0.59459%0.585SS**Hα-helixtrans-68-35.4-176.6-48.5-63.7000114.4F4 Q5 T6D2-F4 VanDerWaalsContact C-N 3.33Å; D2-F4 PolarHBondContact O-N 3.28Å; D2-Q5 PolarHBondContact O-N 2.94Å; D2-T6 WeakPolarHBondContact O-CB 3.07Å; D2-T6 PolarHBondContact O-N 3.12Å; D2-T6 PolarHBondContact O-OG1 2.95Å
3N70.1Confident68.5Low137 Ų137121.8 Ų121.873%0.73360%0.596SS**Hα-helixtrans-64.7-39174.7-65.3-11.3000111.6M1 T6 V7M1-N3 PolarHBondContact O-N 3.15Å; N3-T6 PolarHBondContact O-N 3.32Å; N3-V7 VanDerWaalsContact O-CG2 3.28Å; N3-V7 WeakPolarHBondContact O-CG2 3.17Å; N3-V7 PolarHBondContact O-N 3.39Å
4F73.3Confident68.9Low148 Ų148118.6 Ų118.665%0.64958%0.58SS**Hα-helixtrans-69.2-41.2176.6-174.1-108.2000111.6M1 D2 T6 V7 L8M1-F4 PolarHBondContact O-N 3.21Å; D2-F4 VanDerWaalsContact C-N 3.33Å; D2-F4 PolarHBondContact O-N 3.28Å; F4-T6 VanDerWaalsContact C-N 3.31Å; F4-T6 PolarHBondContact O-N 2.86Å; F4-V7 PolarHBondContact O-N 3.28Å; F4-L8 HydrophobicContact CD1-CD1 3.58Å; F4-L8 HydrophobicContact CE1-CD1 3.27Å; F4-L8 HydrophobicContact CE1-CG 4.27Å; F4-L8 HydrophobicContact CG-CD1 4.39Å; F4-L8 HydrophobicContact CZ-CD1 3.85Å; F4-L8 HydrophobicContact CZ-CG 4.44Å; F4-L8 WeakPolarHBondContact O-CB 3.48Å; F4-L8 PolarHBondContact O-N 2.84Å
5Q70.3Confident69.4Low101 Ų101120.5 Ų120.547%0.47258%0.583SS.*Hα-helixtrans-62.3-36.8171.3-86.1-170.1-14.600112.7M1 D2 L8 R9M1-Q5 PolarHBondContact O-N 3.22Å; D2-Q5 PolarHBondContact O-N 2.94Å; Q5-L8 PolarHBondContact O-N 3Å; Q5-R9 WeakPolarHBondContact O-CB 3.44Å; Q5-R9 VanDerWaalsContact O-CG 3.27Å; Q5-R9 WeakPolarHBondContact O-CG 2.98Å; Q5-R9 PolarHBondContact O-N 2.79Å
6T71.8Confident69.8Low87 Ų87117.1 Ų117.153%0.53458%0.581SS.*Hα-helixtrans-67.7-43.4178.6-58.80000111.1D2 N3 F4 R9 F10D2-T6 WeakPolarHBondContact O-CB 3.07Å; D2-T6 PolarHBondContact O-N 3.12Å; D2-T6 PolarHBondContact O-OG1 2.95Å; N3-T6 PolarHBondContact O-N 3.32Å; F4-T6 VanDerWaalsContact C-N 3.31Å; F4-T6 PolarHBondContact O-N 2.86Å; T6-R9 PolarHBondContact O-N 2.74Å; T6-F10 PolarHBondContact O-N 2.69Å
7V68.8Low70.4Confident74 Ų74114.6 Ų114.645%0.44857%0.574SS.*Hα-helixtrans-63.4-46.2173.6172.40000110.8N3 F4 R9 F10 F11N3-V7 VanDerWaalsContact O-CG2 3.28Å; N3-V7 WeakPolarHBondContact O-CG2 3.17Å; N3-V7 PolarHBondContact O-N 3.39Å; F4-V7 PolarHBondContact O-N 3.28Å; V7-R9 VanDerWaalsContact C-N 3.35Å; V7-R9 PolarHBondContact O-N 3.22Å; V7-F10 WeakPolarHBondContact O-CB 3.5Å; V7-F10 PolarHBondContact O-N 3.28Å; V7-F10 VanDerWaalsContact O-N 3.12Å; V7-F11 HydrophobicContact CG1-CD2 3.63Å; V7-F11 HydrophobicContact CG1-CE2 3.45Å; V7-F11 VanDerWaalsContact CG1-CE2 3.45Å; V7-F11 WeakPolarHBondContact O-CD2 3.46Å; V7-F11 PolarHBondContact O-N 2.84Å
8L68.9Low71Confident79 Ų79111.7 Ų111.741%0.41456%0.56SS.*Hα-helixtrans-58-43.6174.1-92.7161.2000112.6F4 Q5 F10 F11 M12F4-L8 HydrophobicContact CD1-CD1 3.58Å; F4-L8 HydrophobicContact CE1-CD1 3.27Å; F4-L8 HydrophobicContact CE1-CG 4.27Å; F4-L8 HydrophobicContact CG-CD1 4.39Å; F4-L8 HydrophobicContact CZ-CD1 3.85Å; F4-L8 HydrophobicContact CZ-CG 4.44Å; F4-L8 WeakPolarHBondContact O-CB 3.48Å; F4-L8 PolarHBondContact O-N 2.84Å; Q5-L8 PolarHBondContact O-N 3Å; L8-F10 VanDerWaalsContact C-N 3.3Å; L8-F10 PolarHBondContact O-N 3.23Å; L8-F11 PolarHBondContact O-N 3Å; L8-M12 WeakPolarHBondContact O-CB 3.16Å; L8-M12 VanDerWaalsContact O-CG 3.23Å; L8-M12 WeakPolarHBondContact O-CG 3.44Å; L8-M12 PolarHBondContact O-N 3.36Å
9R69.7Low71.6Confident166 Ų166107.5 Ų107.563%0.62655%0.547SS*.Hα-helixtrans-62.2-38.1175.5-77177.1-171.2-1775.9111.8Q5 T6 V7 M12 N13Q5-R9 WeakPolarHBondContact O-CB 3.44Å; Q5-R9 VanDerWaalsContact O-CG 3.27Å; Q5-R9 WeakPolarHBondContact O-CG 2.98Å; Q5-R9 PolarHBondContact O-N 2.79Å; T6-R9 PolarHBondContact O-N 2.74Å; V7-R9 VanDerWaalsContact C-N 3.35Å; V7-R9 PolarHBondContact O-N 3.22Å; R9-M12 PolarHBondContact O-N 3.34Å; R9-N13 WeakPolarHBondContact O-CB 3.18Å; R9-N13 VanDerWaalsContact O-CG 3.29Å; R9-N13 PolarHBondContact O-N 3.2Å
10F70.4Confident72.2Confident130 Ų130108.7 Ų108.757%0.5755%0.546SS*.Hα-helixtrans-63.6-48.4174.1-179.8-95.9000111.8T6 V7 L8 M12 N13 Q14T6-F10 PolarHBondContact O-N 2.69Å; V7-F10 WeakPolarHBondContact O-CB 3.5Å; V7-F10 PolarHBondContact O-N 3.28Å; V7-F10 VanDerWaalsContact O-N 3.12Å; L8-F10 VanDerWaalsContact C-N 3.3Å; L8-F10 PolarHBondContact O-N 3.23Å; F10-M12 VanDerWaalsContact C-N 3.34Å; F10-M12 PolarHBondContact O-N 3.09Å; F10-N13 PolarHBondContact O-N 3.03Å; F10-Q14 HydrophobicContact CE2-CG 4.36Å; F10-Q14 HydrophobicContact CZ-CG 4.3Å; F10-Q14 PolarHBondContact O-N 3.26Å
11F63.3Low72.8Confident108 Ų108106.8 Ų106.847%0.47454%0.543SS..Hα-helixtrans-60.8-41176.1-81.9-75.9000112.5V7 L8 Q14 K15 I18V7-F11 HydrophobicContact CG1-CD2 3.63Å; V7-F11 HydrophobicContact CG1-CE2 3.45Å; V7-F11 VanDerWaalsContact CG1-CE2 3.45Å; V7-F11 WeakPolarHBondContact O-CD2 3.46Å; V7-F11 PolarHBondContact O-N 2.84Å; L8-F11 PolarHBondContact O-N 3Å; F11-Q14 CarbonylContact O-C 3.53Å; F11-Q14 PolarHBondContact O-N 3.27Å; F11-K15 WeakPolarHBondContact O-CA 3.35Å; F11-K15 PolarHBondContact O-N 3.14Å; F11-I18 HydrophobicContact CB-CD1 4.34Å; F11-I18 HydrophobicContact CD1-CD1 3.41Å; F11-I18 VanDerWaalsContact CD1-CD1 3.41Å; F11-I18 HydrophobicContact CD1-CG1 4.42Å; F11-I18 HydrophobicContact CE1-CD1 4.07Å; F11-I18 HydrophobicContact CG-CD1 4.26Å
12M64.3Low74.2Confident108 Ų108103.3 Ų103.353%0.53252%0.522SS..Hα-helixtrans-67.7-38.6177.8-71.5-62.7-69.400112.3L8 R9 F10 Q14L8-M12 WeakPolarHBondContact O-CB 3.16Å; L8-M12 VanDerWaalsContact O-CG 3.23Å; L8-M12 WeakPolarHBondContact O-CG 3.44Å; L8-M12 PolarHBondContact O-N 3.36Å; R9-M12 PolarHBondContact O-N 3.34Å; F10-M12 VanDerWaalsContact C-N 3.34Å; F10-M12 PolarHBondContact O-N 3.09Å; M12-Q14 VanDerWaalsContact C-N 3.32Å; M12-Q14 PolarHBondContact O-N 2.95Å
13N71.5Confident74.8Confident138 Ų138101.4 Ų101.474%0.73851%0.511SS*.Hα-helixtrans-68.1-30.3175.9-79.8-14.6000112.9R9 F10R9-N13 WeakPolarHBondContact O-CB 3.18Å; R9-N13 VanDerWaalsContact O-CG 3.29Å; R9-N13 PolarHBondContact O-N 3.2Å; F10-N13 PolarHBondContact O-N 3.03Å
14Q74.2Confident75.6Confident77 Ų7796.6 Ų96.636%0.3649%0.49SS..THydrogen-bonded Turntrans-105.715.1-177.5-66.6-65.6-22.600113.5F10 F11 M12 A16 T17 I18F10-Q14 HydrophobicContact CE2-CG 4.36Å; F10-Q14 HydrophobicContact CZ-CG 4.3Å; F10-Q14 PolarHBondContact O-N 3.26Å; F11-Q14 CarbonylContact O-C 3.53Å; F11-Q14 PolarHBondContact O-N 3.27Å; M12-Q14 VanDerWaalsContact C-N 3.32Å; M12-Q14 PolarHBondContact O-N 2.95Å; Q14-A16 PolarHBondContact O-N 2.05Å; Q14-A16 VanDerWaalsContact O-N 3.08Å; Q14-T17 PolarHBondContact O-N 3.47Å; Q14-T17 PolarHBondContact OE1-OG1 2.93Å; Q14-I18 HydrophobicContact CB-CD1 3.78Å; Q14-I18 HydrophobicContact CB-CG1 4.28Å; Q14-I18 WeakPolarHBondContact O-CD1 3.49Å; Q14-I18 WeakPolarHBondContact O-CG1 3.41Å; Q14-I18 PolarHBondContact O-N 2.92Å
15K76.7Confident76.3Confident146 Ų14695.2 Ų95.264%0.63549%0.489SS*.Hα-helixtrans-51.3-39.2-172.6-174.6176.2-179.51760113.6F11 G19F11-K15 WeakPolarHBondContact O-CA 3.35Å; F11-K15 PolarHBondContact O-N 3.14Å; K15-G19 PolarHBondContact O-N 3.24Å
16A75.8Confident77.1Confident66 Ų6695.2 Ų95.255%0.54549%0.492SS..Hα-helixtrans-67.8-47.1177.700000112.4Q14 G19 Y20Q14-A16 PolarHBondContact O-N 2.05Å; Q14-A16 VanDerWaalsContact O-N 3.08Å; A16-G19 PolarHBondContact O-N 2.05Å; A16-Y20 HydrophobicContact CB-CE2 4.48Å; A16-Y20 WeakPolarHBondContact O-CD2 3.48Å; A16-Y20 PolarHBondContact O-N 3.19Å
17T80.3Confident77.8Confident76 Ų7691.9 Ų91.947%0.46647%0.471SS..Hα-helixtrans-61.8-46.8178.4-46.70000111.1Q14 G19 Y20 S21Q14-T17 PolarHBondContact O-N 3.47Å; Q14-T17 PolarHBondContact OE1-OG1 2.93Å; T17-G19 VanDerWaalsContact C-N 3.32Å; T17-G19 PolarHBondContact O-N 3.17Å; T17-Y20 PolarHBondContact O-N 3.04Å; T17-S21 PolarHBondContact O-N 3.5Å; T17-S21 PolarHBondContact O-OG 3.33Å; T17-S21 VanDerWaalsContact O-OG 3.13Å
18I81.3Confident78.7Confident62 Ų6292.3 Ų92.332%0.31847%0.47SS..Hα-helixtrans-62-42.6177.7-66.9153.6000110.6F11 Q14 S21 F22F11-I18 HydrophobicContact CB-CD1 4.34Å; F11-I18 HydrophobicContact CD1-CD1 3.41Å; F11-I18 VanDerWaalsContact CD1-CD1 3.41Å; F11-I18 HydrophobicContact CD1-CG1 4.42Å; F11-I18 HydrophobicContact CE1-CD1 4.07Å; F11-I18 HydrophobicContact CG-CD1 4.26Å; Q14-I18 HydrophobicContact CB-CD1 3.78Å; Q14-I18 HydrophobicContact CB-CG1 4.28Å; Q14-I18 WeakPolarHBondContact O-CD1 3.49Å; Q14-I18 WeakPolarHBondContact O-CG1 3.41Å; Q14-I18 PolarHBondContact O-N 2.92Å; I18-S21 PolarHBondContact O-N 2.91Å; I18-F22 WeakPolarHBondContact O-CB 3.07Å; I18-F22 PolarHBondContact O-N 2.82Å
19G81.8Confident79.4Confident31 Ų3190.1 Ų90.132%0.3247%0.467SS..Hα-helixtrans-57.7-49.6175.900000112.3K15 A16 T17 F22 M23K15-G19 PolarHBondContact O-N 3.24Å; A16-G19 PolarHBondContact O-N 2.05Å; T17-G19 VanDerWaalsContact C-N 3.32Å; T17-G19 PolarHBondContact O-N 3.17Å; G19-F22 PolarHBondContact O-N 3.45Å; G19-M23 VanDerWaalsContact O-CG 3.28Å; G19-M23 WeakPolarHBondContact O-CG 3.09Å; G19-M23 PolarHBondContact O-N 3.09Å
20Y84.6Confident80Confident131 Ų13183.3 Ų83.351%0.51445%0.448SS..Hα-helixtrans-65.5-40.9178.7-65.6-47.9000113A16 T17 F22 M23 A24 V110A16-Y20 HydrophobicContact CB-CE2 4.48Å; A16-Y20 WeakPolarHBondContact O-CD2 3.48Å; A16-Y20 PolarHBondContact O-N 3.19Å; T17-Y20 PolarHBondContact O-N 3.04Å; Y20-F22 PolarHBondContact O-N 2.55Å; Y20-M23 HydrophobicContact CD1-SD 4.46Å; Y20-M23 PolarHBondContact O-N 3.29Å; Y20-A24 WeakPolarHBondContact O-CB 3.42Å; Y20-A24 PolarHBondContact O-N 3.15Å; Y20-V110 HydrophobicContact CD1-CG1 4.22Å; Y20-V110 HydrophobicContact CE1-CG1 3.97Å
21S84.6Confident80.9Confident69 Ų6977.2 Ų77.248%0.48342%0.421SS..Hα-helixtrans-61.9-42.9175.8-63.20000112T17 I18 A24 L25T17-S21 PolarHBondContact O-N 3.5Å; T17-S21 PolarHBondContact O-OG 3.33Å; T17-S21 VanDerWaalsContact O-OG 3.13Å; I18-S21 PolarHBondContact O-N 2.91Å; S21-A24 PolarHBondContact O-N 3.17Å; S21-L25 WeakPolarHBondContact O-CG 3.5Å; S21-L25 PolarHBondContact O-N 3.04Å
22F86Confident81.9Confident125 Ų12577.7 Ų77.755%0.54842%0.42SS..Hα-helixtrans-65.1-42.9176.5-177.3-108.2000112I18 G19 Y20 A24 L25 L26I18-F22 WeakPolarHBondContact O-CB 3.07Å; I18-F22 PolarHBondContact O-N 2.82Å; G19-F22 PolarHBondContact O-N 3.45Å; Y20-F22 PolarHBondContact O-N 2.55Å; F22-A24 VanDerWaalsContact C-N 3.31Å; F22-A24 PolarHBondContact O-N 3.32Å; F22-L25 PolarHBondContact O-N 1.99Å; F22-L26 HydrophobicContact CD1-CD1 3.82Å; F22-L26 HydrophobicContact CD1-CG 4.36Å; F22-L26 HydrophobicContact CE1-CD1 3.32Å; F22-L26 HydrophobicContact CE1-CG 3.99Å; F22-L26 HydrophobicContact CE2-CG 4.43Å; F22-L26 HydrophobicContact CZ-CD1 3.77Å; F22-L26 HydrophobicContact CZ-CD2 4.21Å; F22-L26 HydrophobicContact CZ-CG 4.02Å; F22-L26 WeakPolarHBondContact O-CG 3.22Å; F22-L26 PolarHBondContact O-N 3.38Å
23M84.1Confident82.8Confident70 Ų7077.8 Ų77.835%0.34542%0.421SS..Hα-helixtrans-60.3-40.6174.2-71.9178.277.100112.1G19 Y20 L26 T27 A111 M114G19-M23 VanDerWaalsContact O-CG 3.28Å; G19-M23 WeakPolarHBondContact O-CG 3.09Å; G19-M23 PolarHBondContact O-N 3.09Å; Y20-M23 HydrophobicContact CD1-SD 4.46Å; Y20-M23 PolarHBondContact O-N 3.29Å; M23-L26 PolarHBondContact O-N 3.01Å; M23-T27 WeakPolarHBondContact O-CB 3.44Å; M23-T27 PolarHBondContact O-N 2.99Å; M23-T27 PolarHBondContact O-OG1 3.42Å; M23-A111 HydrophobicContact CE-CB 3.76Å; M23-M114 HydrophobicContact CB-CE 3.68Å; M23-M114 HydrophobicContact CB-SD 4.5Å; M23-M114 HydrophobicContact CE-CE 3.71Å; M23-M114 HydrophobicContact SD-CE 4.27Å
24A85.9Confident83.1Confident36 Ų3675.7 Ų75.730%0.29841%0.405SS..Hα-helixtrans-62.4-45.6176.600000111.6Y20 S21 F22 L26 T27 I28Y20-A24 WeakPolarHBondContact O-CB 3.42Å; Y20-A24 PolarHBondContact O-N 3.15Å; S21-A24 PolarHBondContact O-N 3.17Å; F22-A24 VanDerWaalsContact C-N 3.31Å; F22-A24 PolarHBondContact O-N 3.32Å; A24-L26 PolarHBondContact O-N 3.35Å; A24-T27 WeakPolarHBondContact O-CB 3.33Å; A24-T27 PolarHBondContact O-N 3.27Å; A24-I28 VanDerWaalsContact O-CG1 3.31Å; A24-I28 WeakPolarHBondContact O-CG1 3.39Å; A24-I28 PolarHBondContact O-N 2.81Å
25L88.3Confident83.1Confident120 Ų12072.9 Ų72.963%0.62839%0.394SS*.Hα-helixtrans-60.3-45.3176.1-71.9171.3000112.2S21 F22 T27 I28 G29S21-L25 WeakPolarHBondContact O-CG 3.5Å; S21-L25 PolarHBondContact O-N 3.04Å; F22-L25 PolarHBondContact O-N 1.99Å; L25-T27 VanDerWaalsContact C-N 3.3Å; L25-T27 PolarHBondContact O-N 3.14Å; L25-I28 PolarHBondContact O-N 3.15Å; L25-G29 PolarHBondContact O-N 2.86Å
26L87.5Confident83Confident101 Ų10172.9 Ų72.953%0.52940%0.398SS..Hα-helixtrans-62-38.5175.6-75179.9000112.2F22 M23 A24 G29 G30F22-L26 HydrophobicContact CD1-CD1 3.82Å; F22-L26 HydrophobicContact CD1-CG 4.36Å; F22-L26 HydrophobicContact CE1-CD1 3.32Å; F22-L26 HydrophobicContact CE1-CG 3.99Å; F22-L26 HydrophobicContact CE2-CG 4.43Å; F22-L26 HydrophobicContact CZ-CD1 3.77Å; F22-L26 HydrophobicContact CZ-CD2 4.21Å; F22-L26 HydrophobicContact CZ-CG 4.02Å; F22-L26 WeakPolarHBondContact O-CG 3.22Å; F22-L26 PolarHBondContact O-N 3.38Å; M23-L26 PolarHBondContact O-N 3.01Å; A24-L26 PolarHBondContact O-N 3.35Å; L26-G29 PolarHBondContact O-N 2.88Å; L26-G30 PolarHBondContact O-N 3.2Å
27T86.1Confident82.8Confident17 Ų1775.3 Ų75.310%0.10441%0.406CS..Hα-helixtrans-65.6-43.4178.5-55.10000110.9M23 A24 L25 G30 E31 M114 W115 V118M23-T27 WeakPolarHBondContact O-CB 3.44Å; M23-T27 PolarHBondContact O-N 2.99Å; M23-T27 PolarHBondContact O-OG1 3.42Å; A24-T27 WeakPolarHBondContact O-CB 3.33Å; A24-T27 PolarHBondContact O-N 3.27Å; L25-T27 VanDerWaalsContact C-N 3.3Å; L25-T27 PolarHBondContact O-N 3.14Å; T27-G30 PolarHBondContact O-N 3.22Å; T27-E31 WeakPolarHBondContact O-CB 3.45Å; T27-E31 PolarHBondContact O-N 3.12Å; T27-M114 HydrophobicContact CG2-CB 4.42Å; T27-W115 HydrophobicContact CG2-CB 4.18Å; T27-W115 HydrophobicContact CG2-CE3 4.3Å; T27-V118 HydrophobicContact CG2-CB 4.29Å; T27-V118 HydrophobicContact CG2-CG2 3.95Å
28I86.7Confident82.7Confident83 Ų8374.6 Ų74.643%0.42640%0.404SS..Hα-helixtrans-62.7-46.7175.6-64.9163.9000110.7A24 L25 R32 V118A24-I28 VanDerWaalsContact O-CG1 3.31Å; A24-I28 WeakPolarHBondContact O-CG1 3.39Å; A24-I28 PolarHBondContact O-N 2.81Å; L25-I28 PolarHBondContact O-N 3.15Å; I28-R32 VanDerWaalsContact O-CG 3.32Å; I28-R32 WeakPolarHBondContact O-CG 3.09Å; I28-R32 PolarHBondContact O-N 3.48Å; I28-R32 VanDerWaalsContact O-N 3.1Å; I28-V118 HydrophobicContact CG1-CG1 4.23Å; I28-V118 HydrophobicContact CG1-CG2 3.93Å
29G84.6Confident83Confident33 Ų3372.8 Ų72.834%0.3439%0.394SS..Hα-helixtrans-62.9-44.8177.700000112.6L25 L26 R32 I33L25-G29 PolarHBondContact O-N 2.86Å; L26-G29 PolarHBondContact O-N 2.88Å; G29-R32 PolarHBondContact O-N 3.39Å; G29-I33 VanDerWaalsContact O-CG1 3.31Å; G29-I33 WeakPolarHBondContact O-CG1 2.93Å; G29-I33 PolarHBondContact O-N 2.92Å
30G83.2Confident83.3Confident22 Ų2279 Ų7923%0.22742%0.415CS..Hα-helixtrans-62.5-46.5178.200000112.4L26 T27 R32 I33 F34L26-G30 PolarHBondContact O-N 3.2Å; T27-G30 PolarHBondContact O-N 3.22Å; G30-R32 VanDerWaalsContact C-N 3.33Å; G30-R32 PolarHBondContact O-N 2.93Å; G30-I33 PolarHBondContact O-N 3.45Å; G30-F34 WeakPolarHBondContact O-CD2 3.36Å; G30-F34 PolarHBondContact O-N 2.94Å
31E87.4Confident83.5Confident2 Ų273.8 Ų73.81%0.00940%0.397CS..Hα-helixtrans-59.7-44.8177.3-171.6-79.5153.200111.5T27 I33 F34 S35 W115 V118 A119 N122T27-E31 WeakPolarHBondContact O-CB 3.45Å; T27-E31 PolarHBondContact O-N 3.12Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 PolarHBondContact O-N 3.29Å; E31-F34 PolarHBondContact O-N 3.31Å; E31-S35 WeakPolarHBondContact O-CB 3.22Å; E31-S35 PolarHBondContact O-N 3.37Å; E31-W115 HydrophobicContact CB-CE3 4.32Å; E31-W115 HydrophobicContact CB-CH2 4.11Å; E31-W115 HydrophobicContact CB-CZ3 3.68Å; E31-W115 HydrophobicContact CG-CH2 4.18Å; E31-W115 HydrophobicContact CG-CZ3 4.18Å; E31-V118 HydrophobicContact CB-CG1 3.65Å; E31-V118 HydrophobicContact CG-CG1 3.76Å; E31-A119 HydrophobicContact CG-CB 4.37Å; E31-N122 VanDerWaalsContact OE1-CB 3.28Å; E31-N122 WeakPolarHBondContact OE1-CB 3.47Å; E31-N122 PolarHBondContact OE1-ND2 2.95Å
32R84.4Confident83.7Confident119 Ų11973.2 Ų73.245%0.44939%0.392SS..Hα-helixtrans-60.4-41.7177-73.6-64-172178.5-2.8112.5I28 G29 G30 M36I28-R32 VanDerWaalsContact O-CG 3.32Å; I28-R32 WeakPolarHBondContact O-CG 3.09Å; I28-R32 PolarHBondContact O-N 3.48Å; I28-R32 VanDerWaalsContact O-N 3.1Å; G29-R32 PolarHBondContact O-N 3.39Å; G30-R32 VanDerWaalsContact C-N 3.33Å; G30-R32 PolarHBondContact O-N 2.93Å; R32-M36 VanDerWaalsContact O-CB 3.28Å; R32-M36 WeakPolarHBondContact O-CB 3.35Å; R32-M36 WeakPolarHBondContact O-CG 3.46Å; R32-M36 PolarHBondContact O-N 2.67Å
33I84.8Confident83.9Confident109 Ų10968.1 Ų68.156%0.55937%0.372SS*.Hα-helixtrans-63.3-49.3176.6-68.4165.3000110.4G29 G30 E31 S35 M36 V37G29-I33 VanDerWaalsContact O-CG1 3.31Å; G29-I33 WeakPolarHBondContact O-CG1 2.93Å; G29-I33 PolarHBondContact O-N 2.92Å; G30-I33 PolarHBondContact O-N 3.45Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 PolarHBondContact O-N 3.29Å; I33-S35 PolarHBondContact O-N 3.32Å; I33-M36 PolarHBondContact O-N 3.35Å; I33-V37 HydrophobicContact CG2-CG2 4.29Å; I33-V37 VanDerWaalsContact O-CB 3.25Å; I33-V37 WeakPolarHBondContact O-CB 3.34Å; I33-V37 WeakPolarHBondContact O-CG2 3.07Å; I33-V37 PolarHBondContact O-N 2.93Å
34F77.3Confident84Confident94 Ų9468 Ų6841%0.41237%0.373SS..Iπ-helixtrans-62.1-43.9179.4-79.1-66.8000112.4G30 E31 S38 F39 W115 F125G30-F34 WeakPolarHBondContact O-CD2 3.36Å; G30-F34 PolarHBondContact O-N 2.94Å; E31-F34 PolarHBondContact O-N 3.31Å; F34-S38 PolarHBondContact O-N 3.11Å; F34-F39 PolarHBondContact O-N 3.16Å; F34-F39 VanDerWaalsContact O-N 3.1Å; F34-W115 HydrophobicContact CB-CH2 4.39Å; F34-W115 AromaticContact CD2-CH2 3.92Å; F34-W115 HydrophobicContact CD2-CH2 3.92Å; F34-W115 HydrophobicContact CD2-CZ3 4.21Å; F34-W115 HydrophobicContact CG-CH2 4.46Å; F34-F125 HydrophobicContact CB-CZ 4.43Å
35S73.6Confident83.8Confident18 Ų1869.3 Ų69.313%0.12637%0.372CS..Iπ-helixtrans-68.9-32.1-179.9-177.60000113.2E31 I33 N122 T124E31-S35 WeakPolarHBondContact O-CB 3.22Å; E31-S35 PolarHBondContact O-N 3.37Å; I33-S35 PolarHBondContact O-N 3.32Å; S35-N122 PolarHBondContact OG-ND2 3.37Å; S35-T124 PolarHBondContact OG-OG1 3.41Å
36M75Confident83.6Confident146 Ų14671.4 Ų71.472%0.71938%0.379SS*.Iπ-helixtrans-90.3-34.7-178.1-73179.6170.400113.4R32 I33R32-M36 VanDerWaalsContact O-CB 3.28Å; R32-M36 WeakPolarHBondContact O-CB 3.35Å; R32-M36 WeakPolarHBondContact O-CG 3.46Å; R32-M36 PolarHBondContact O-N 2.67Å; I33-M36 PolarHBondContact O-N 3.35Å
37V71.4Confident83.7Confident118 Ų11871.8 Ų71.872%0.71538%0.378SS*.Iπ-helixtrans-99.2-34.4-168.4-1780000112.3I33I33-V37 HydrophobicContact CG2-CG2 4.29Å; I33-V37 VanDerWaalsContact O-CB 3.25Å; I33-V37 WeakPolarHBondContact O-CB 3.34Å; I33-V37 WeakPolarHBondContact O-CG2 3.07Å; I33-V37 PolarHBondContact O-N 2.93Å
38S79.1Confident84Confident60 Ų6071 Ų7142%0.4237%0.373SS..Iπ-helixtrans-117.5-23-170.3-173.50000114.2F34 Y51F34-S38 PolarHBondContact O-N 3.11Å; S38-Y51 PolarHBondContact O-OH 3.49Å
39F86Confident84.2Confident24 Ų2471 Ų7111%0.10537%0.37CS..  trans-92.3112.3-171.6-170.8-98.3000112.2F34 Y51 F55 F125 C128F34-F39 PolarHBondContact O-N 3.16Å; F34-F39 VanDerWaalsContact O-N 3.1Å; F39-Y51 HydrophobicContact CD2-CD1 4.28Å; F39-Y51 AromaticContact CD2-CE1 3.56Å; F39-Y51 HydrophobicContact CD2-CE1 3.56Å; F39-Y51 AromaticContact CE2-CD1 3.62Å; F39-Y51 HydrophobicContact CE2-CD1 3.62Å; F39-Y51 AromaticContact CE2-CE1 3.36Å; F39-Y51 HydrophobicContact CE2-CE1 3.36Å; F39-Y51 HydrophobicContact CG-CE1 4.46Å; F39-Y51 HydrophobicContact CZ-CD1 4.22Å; F39-Y51 HydrophobicContact CZ-CE1 4.13Å; F39-F55 HydrophobicContact CD2-CB 4Å; F39-F55 AromaticContact CD2-CD1 3.95Å; F39-F55 HydrophobicContact CD2-CD1 3.95Å; F39-F55 AromaticContact CD2-CD2 3.95Å; F39-F55 HydrophobicContact CD2-CD2 3.95Å; F39-F55 HydrophobicContact CD2-CE1 4.42Å; F39-F55 HydrophobicContact CD2-CE2 4.44Å; F39-F55 AromaticContact CD2-CG 3.68Å; F39-F55 HydrophobicContact CD2-CG 3.68Å; F39-F55 HydrophobicContact CE2-CB 4.05Å; F39-F55 HydrophobicContact CE2-CD2 4.16Å; F39-F55 HydrophobicContact CE2-CG 4.07Å; F39-F125 HydrophobicContact CB-CD1 4.44Å; F39-F125 HydrophobicContact CB-CE1 3.76Å; F39-F125 AromaticContact CD1-CD1 3.89Å; F39-F125 HydrophobicContact CD1-CD1 3.89Å; F39-F125 HydrophobicContact CD1-CE1 4Å; F39-F125 AromaticContact CD2-CD1 3.48Å; F39-F125 HydrophobicContact CD2-CD1 3.48Å; F39-F125 VanDerWaalsContact CD2-CD1 3.48Å; F39-F125 AromaticContact CD2-CE1 3.56Å; F39-F125 HydrophobicContact CD2-CE1 3.56Å; F39-F125 AromaticContact CE1-CD1 3.93Å; F39-F125 HydrophobicContact CE1-CD1 3.93Å; F39-F125 AromaticContact CE2-CD1 3.53Å; F39-F125 HydrophobicContact CE2-CD1 3.53Å; F39-F125 HydrophobicContact CE2-CE1 4.12Å; F39-F125 HydrophobicContact CE2-CG 4.48Å; F39-F125 AromaticContact CG-CD1 3.66Å; F39-F125 HydrophobicContact CG-CD1 3.66Å; F39-F125 AromaticContact CG-CE1 3.49Å; F39-F125 HydrophobicContact CG-CE1 3.49Å; F39-F125 VanDerWaalsContact CG-CE1 3.49Å; F39-F125 AromaticContact CZ-CD1 3.75Å; F39-F125 HydrophobicContact CZ-CD1 3.75Å; F39-C128 HydrophobicContact CE1-CB 4.13Å; F39-C128 HydrophobicContact CZ-CB 3.58Å
40Q88.1Confident84.6Confident162 Ų16273.6 Ų73.676%0.75738%0.379SS*.  trans-130.8122.6166.7-65.1179.7-2.400107.5Y51Q40-Y51 WeakPolarHBondContact O-CE1 3.26Å
41C89.4Confident85.1Confident21 Ų2175.7 Ų75.714%0.14238%0.381CS..  trans-67.8129.7179.8-167.10000109C43 C128 P158 C159C41-C43 PolarHBondContact O-N 2.67Å; C41-C128 HydrophobicContact CB-CB 3.84Å; C41-C128 WeakPolarHBondContact CB-SG 3.31Å; C41-C128 WeakPolarHBondContact SG-CB 3.4Å; C41-C128 CovalentContact SG-SG 2.05Å; C41-C128 PolarHBondContact SG-SG 3.14Å; C41-P158 HydrophobicContact CB-CB 4.32Å; C41-C159 PolarHBondContact O-SG 3.18Å; C41-C159 VanDerWaalsContact O-SG 3.32Å
42P89.3Confident85.3Confident57 Ų5775.6 Ų75.637%0.3738%0.381SS..  trans-70.6-15.9-175.126.2-33.1000113.3N44 Q47 Y51P42-N44 VanDerWaalsContact C-N 3.25Å; P42-N44 PolarHBondContact O-N 3Å; P42-Q47 HydrophobicContact CG-CB 4.12Å; P42-Y51 HydrophobicContact CG-CD1 4.45Å; P42-Y51 HydrophobicContact CG-CG 4.26Å
43C89.3Confident85.7Confident18 Ų1872.5 Ų72.512%0.12237%0.372CS..  trans53.343-178.9-68.90000113.9C41 N48 A155 L156 C159C41-C43 PolarHBondContact O-N 2.67Å; C43-N48 VanDerWaalsContact CA-OD1 3.22Å; C43-N48 WeakPolarHBondContact CA-OD1 3.08Å; C43-N48 PolarHBondContact N-OD1 3.49Å; C43-A155 WeakPolarHBondContact CA-O 3.17Å; C43-A155 WeakPolarHBondContact CB-O 3.3Å; C43-A155 PolarHBondContact SG-O 2.87Å; C43-L156 HydrophobicContact CB-CD2 4.41Å; C43-C159 HydrophobicContact CB-CB 3.77Å; C43-C159 WeakPolarHBondContact CB-SG 3.28Å; C43-C159 WeakPolarHBondContact SG-CB 3.27Å; C43-C159 PolarHBondContact SG-N 3.39Å; C43-C159 VanDerWaalsContact SG-N 3.38Å; C43-C159 CovalentContact SG-SG 1.99Å; C43-C159 PolarHBondContact SG-SG 2.96Å
44N86.9Confident86.2Confident69 Ų6971.1 Ų71.137%0.36937%0.369SS..  trans-120.5129172.8-179.81.4000108.4P42 E46 Q47 N48P42-N44 VanDerWaalsContact C-N 3.25Å; P42-N44 PolarHBondContact O-N 3Å; N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact O-N 3.1Å; N44-Q47 HydrophobicContact CB-CB 4.28Å; N44-Q47 PolarHBondContact O-N 2.98Å; N44-Q47 VanDerWaalsContact O-N 3.09Å; N44-N48 PolarHBondContact N-OD1 3.26Å; N44-N48 WeakPolarHBondContact O-CB 3.42Å; N44-N48 PolarHBondContact O-N 3.07Å; N44-N48 PolarHBondContact O-OD1 3.47Å
45H82.6Confident86.9Confident62 Ų6268.5 Ų68.529%0.28736%0.357SS..Hα-helixtrans-51.5-44.6-174.3-172.9-90.3000112.8A155H45-A155 HydrophobicContact CB-CB 4.06Å
46E83.9Confident87.8Confident164 Ų16468.2 Ų68.277%0.76635%0.354SS*.Hα-helixtrans-77.1-25.2-177.1-61.2-169.9168.300114N44N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact O-N 3.1Å
47Q89.1Confident88.8Confident109 Ų10965.4 Ų65.451%0.50934%0.341SS..Hα-helixtrans-101.1-25.9-171.4-66.8-178.8-17.300113.4P42 N44 F49 T50 Y51P42-Q47 HydrophobicContact CG-CB 4.12Å; N44-Q47 HydrophobicContact CB-CB 4.28Å; N44-Q47 PolarHBondContact O-N 2.98Å; N44-Q47 VanDerWaalsContact O-N 3.09Å; Q47-F49 VanDerWaalsContact C-N 3.34Å; Q47-F49 PolarHBondContact O-N 3.16Å; Q47-T50 PolarHBondContact O-N 3.47Å; Q47-Y51 WeakPolarHBondContact O-CB 3.29Å; Q47-Y51 PolarHBondContact O-N 2.96Å
48N91.5Very high89.8Confident0 Ų061 Ų610%032%0.321CS..Hα-helixtrans-55.4-46.1-176.4-82.913.6000112.8C43 N44 G52 C128 S131 A155C43-N48 VanDerWaalsContact CA-OD1 3.22Å; C43-N48 WeakPolarHBondContact CA-OD1 3.08Å; C43-N48 PolarHBondContact N-OD1 3.49Å; N44-N48 PolarHBondContact N-OD1 3.26Å; N44-N48 WeakPolarHBondContact O-CB 3.42Å; N44-N48 PolarHBondContact O-N 3.07Å; N44-N48 PolarHBondContact O-OD1 3.47Å; N48-G52 PolarHBondContact O-N 3.28Å; N48-C128 WeakPolarHBondContact CB-O 3.47Å; N48-S131 PolarHBondContact ND2-OG 3.42Å; N48-A155 WeakPolarHBondContact ND2-CA 3.18Å; N48-A155 PolarHBondContact ND2-O 2.99Å
49F91.4Very high90.5Very high84 Ų8459.5 Ų59.537%0.36831%0.309SS..Hα-helixtrans-61.9-55.8179179.4-103.8000111.7Q47 Y51 G52 M53 A129 L133Q47-F49 VanDerWaalsContact C-N 3.34Å; Q47-F49 PolarHBondContact O-N 3.16Å; F49-Y51 VanDerWaalsContact C-N 3.33Å; F49-Y51 PolarHBondContact O-N 3.44Å; F49-G52 PolarHBondContact O-N 3.07Å; F49-M53 HydrophobicContact CD2-CG 4.07Å; F49-M53 HydrophobicContact CE1-CG 4.2Å; F49-M53 HydrophobicContact CE2-CG 3.71Å; F49-M53 HydrophobicContact CE2-SD 4.35Å; F49-M53 HydrophobicContact CG-CG 4.47Å; F49-M53 HydrophobicContact CZ-CG 3.79Å; F49-M53 VanDerWaalsContact O-CB 3.29Å; F49-M53 WeakPolarHBondContact O-CB 3.39Å; F49-M53 VanDerWaalsContact O-CG 3.28Å; F49-M53 WeakPolarHBondContact O-CG 3.45Å; F49-M53 PolarHBondContact O-N 2.64Å; F49-A129 WeakPolarHBondContact CD2-O 3.44Å; F49-L133 HydrophobicContact CD2-CD1 3.78Å; F49-L133 HydrophobicContact CD2-CG 4.35Å; F49-L133 HydrophobicContact CE2-CD1 3.58Å; F49-L133 HydrophobicContact CE2-CG 4.45Å
50T93.2Very high90.9Very high87 Ų8758.8 Ų58.853%0.53431%0.307SS..Hα-helixtrans-61.4-41.8-178.8-56.80000111.8Q47 T54Q47-T50 PolarHBondContact O-N 3.47Å; T50-T54 VanDerWaalsContact O-CB 3.3Å; T50-T54 WeakPolarHBondContact O-CB 3.31Å; T50-T54 PolarHBondContact O-N 3.21Å; T50-T54 PolarHBondContact O-OG1 2.89Å
51Y92.6Very high91.2Very high67 Ų6753.7 Ų53.726%0.26329%0.293SS..Hα-helixtrans-64.9-52.3179.2-171.5-98.4000111.6S38 F39 Q40 P42 Q47 F49 M53 T54 F55S38-Y51 PolarHBondContact O-OH 3.49Å; F39-Y51 HydrophobicContact CD2-CD1 4.28Å; F39-Y51 AromaticContact CD2-CE1 3.56Å; F39-Y51 HydrophobicContact CD2-CE1 3.56Å; F39-Y51 AromaticContact CE2-CD1 3.62Å; F39-Y51 HydrophobicContact CE2-CD1 3.62Å; F39-Y51 AromaticContact CE2-CE1 3.36Å; F39-Y51 HydrophobicContact CE2-CE1 3.36Å; F39-Y51 HydrophobicContact CG-CE1 4.46Å; F39-Y51 HydrophobicContact CZ-CD1 4.22Å; F39-Y51 HydrophobicContact CZ-CE1 4.13Å; Q40-Y51 WeakPolarHBondContact O-CE1 3.26Å; P42-Y51 HydrophobicContact CG-CD1 4.45Å; P42-Y51 HydrophobicContact CG-CG 4.26Å; Q47-Y51 WeakPolarHBondContact O-CB 3.29Å; Q47-Y51 PolarHBondContact O-N 2.96Å; F49-Y51 VanDerWaalsContact C-N 3.33Å; F49-Y51 PolarHBondContact O-N 3.44Å; Y51-M53 PolarHBondContact O-N 3.25Å; Y51-T54 PolarHBondContact O-N 2.83Å; Y51-F55 HydrophobicContact CD1-CD2 4.37Å; Y51-F55 HydrophobicContact CD2-CD2 4.49Å; Y51-F55 HydrophobicContact CD2-CE2 4.15Å; Y51-F55 HydrophobicContact CE1-CD2 4.06Å; Y51-F55 AromaticContact CE1-CE2 3.93Å; Y51-F55 HydrophobicContact CE1-CE2 3.93Å; Y51-F55 HydrophobicContact CE2-CD2 4.19Å; Y51-F55 AromaticContact CE2-CE2 3.49Å; Y51-F55 HydrophobicContact CE2-CE2 3.49Å; Y51-F55 VanDerWaalsContact CE2-CE2 3.49Å; Y51-F55 HydrophobicContact CE2-CZ 4.36Å; Y51-F55 AromaticContact CZ-CD2 3.95Å; Y51-F55 AromaticContact CZ-CE2 3.35Å; Y51-F55 WeakPolarHBondContact O-CD2 3.28Å; Y51-F55 PolarHBondContact O-N 3.14Å; Y51-F55 WeakPolarHBondContact OH-CE2 3.25Å
52G92.8Very high91.5Very high0 Ų056.4 Ų56.40%031%0.309CS..Hα-helixtrans-60-43.9178.100000112.5N48 F49 T54 F55 L56N48-G52 PolarHBondContact O-N 3.28Å; F49-G52 PolarHBondContact O-N 3.07Å; G52-T54 VanDerWaalsContact C-N 3.34Å; G52-T54 PolarHBondContact O-N 3.35Å; G52-F55 PolarHBondContact O-N 3.42Å; G52-L56 WeakPolarHBondContact O-CB 3.47Å; G52-L56 PolarHBondContact O-N 2.87Å
53M93.4Very high91.7Very high54 Ų5456.3 Ų56.327%0.26631%0.305SS..Hα-helixtrans-66.3-33.8177.3-72.7-56.3-62.400113.1F49 Y51 L56 L57 A129F49-M53 HydrophobicContact CD2-CG 4.07Å; F49-M53 HydrophobicContact CE1-CG 4.2Å; F49-M53 HydrophobicContact CE2-CG 3.71Å; F49-M53 HydrophobicContact CE2-SD 4.35Å; F49-M53 HydrophobicContact CG-CG 4.47Å; F49-M53 HydrophobicContact CZ-CG 3.79Å; F49-M53 VanDerWaalsContact O-CB 3.29Å; F49-M53 WeakPolarHBondContact O-CB 3.39Å; F49-M53 VanDerWaalsContact O-CG 3.28Å; F49-M53 WeakPolarHBondContact O-CG 3.45Å; F49-M53 PolarHBondContact O-N 2.64Å; Y51-M53 PolarHBondContact O-N 3.25Å; M53-L56 PolarHBondContact O-N 3.45Å; M53-L56 HydrophobicContact SD-CD2 4.16Å; M53-L57 HydrophobicContact CE-CD1 3.42Å; M53-L57 VanDerWaalsContact CE-CD1 3.42Å; M53-L57 HydrophobicContact CE-CD2 4.46Å; M53-L57 HydrophobicContact CE-CG 3.77Å; M53-L57 WeakPolarHBondContact O-CB 3.41Å; M53-L57 PolarHBondContact O-N 3.21Å; M53-A129 HydrophobicContact CG-CB 4.13Å; M53-A129 HydrophobicContact SD-CB 4.16Å
54T94Very high92Very high80 Ų8058.4 Ų58.449%0.49131%0.312SS..Hα-helixtrans-65.6-43.2176.5-60.90000111.3T50 Y51 G52 L56 G58T50-T54 VanDerWaalsContact O-CB 3.3Å; T50-T54 WeakPolarHBondContact O-CB 3.31Å; T50-T54 PolarHBondContact O-N 3.21Å; T50-T54 PolarHBondContact O-OG1 2.89Å; Y51-T54 PolarHBondContact O-N 2.83Å; G52-T54 VanDerWaalsContact C-N 3.34Å; G52-T54 PolarHBondContact O-N 3.35Å; T54-L56 VanDerWaalsContact C-N 3.33Å; T54-G58 WeakPolarHBondContact O-CA 3.5Å; T54-G58 PolarHBondContact O-N 3.38Å
55F92.1Very high92.4Very high39 Ų3958.4 Ų58.417%0.17132%0.315CS..Hα-helixtrans-72.2-27.9176-82.7-97.1000112.8F39 Y51 G52 P59 F125F39-F55 HydrophobicContact CD2-CB 4Å; F39-F55 AromaticContact CD2-CD1 3.95Å; F39-F55 HydrophobicContact CD2-CD1 3.95Å; F39-F55 AromaticContact CD2-CD2 3.95Å; F39-F55 HydrophobicContact CD2-CD2 3.95Å; F39-F55 HydrophobicContact CD2-CE1 4.42Å; F39-F55 HydrophobicContact CD2-CE2 4.44Å; F39-F55 AromaticContact CD2-CG 3.68Å; F39-F55 HydrophobicContact CD2-CG 3.68Å; F39-F55 HydrophobicContact CE2-CB 4.05Å; F39-F55 HydrophobicContact CE2-CD2 4.16Å; F39-F55 HydrophobicContact CE2-CG 4.07Å; Y51-F55 HydrophobicContact CD1-CD2 4.37Å; Y51-F55 HydrophobicContact CD2-CD2 4.49Å; Y51-F55 HydrophobicContact CD2-CE2 4.15Å; Y51-F55 HydrophobicContact CE1-CD2 4.06Å; Y51-F55 AromaticContact CE1-CE2 3.93Å; Y51-F55 HydrophobicContact CE1-CE2 3.93Å; Y51-F55 HydrophobicContact CE2-CD2 4.19Å; Y51-F55 AromaticContact CE2-CE2 3.49Å; Y51-F55 HydrophobicContact CE2-CE2 3.49Å; Y51-F55 VanDerWaalsContact CE2-CE2 3.49Å; Y51-F55 HydrophobicContact CE2-CZ 4.36Å; Y51-F55 AromaticContact CZ-CD2 3.95Å; Y51-F55 AromaticContact CZ-CE2 3.35Å; Y51-F55 WeakPolarHBondContact O-CD2 3.28Å; Y51-F55 PolarHBondContact O-N 3.14Å; Y51-F55 WeakPolarHBondContact OH-CE2 3.25Å; G52-F55 PolarHBondContact O-N 3.42Å; F55-P59 VanDerWaalsContact O-CD 3.24Å; F55-P59 WeakPolarHBondContact O-CD 3.23Å; F55-F125 HydrophobicContact CB-CD1 3.96Å; F55-F125 HydrophobicContact CB-CD2 4.34Å; F55-F125 HydrophobicContact CB-CE1 4.14Å; F55-F125 HydrophobicContact CB-CG 4.08Å; F55-F125 HydrophobicContact CB-CZ 4.43Å; F55-F125 HydrophobicContact CD1-CE1 4.46Å
56L93.3Very high92.8Very high12 Ų1260.6 Ų60.66%0.06332%0.324CS..Hα-helixtrans-73.6-51.2175-173.562.4000112.3G52 M53 T54 W115 L116 A119 L120 F125G52-L56 WeakPolarHBondContact O-CB 3.47Å; G52-L56 PolarHBondContact O-N 2.87Å; M53-L56 PolarHBondContact O-N 3.45Å; M53-L56 HydrophobicContact SD-CD2 4.16Å; T54-L56 VanDerWaalsContact C-N 3.33Å; L56-W115 PolarHBondContact O-NE1 3.15Å; L56-L116 HydrophobicContact CD1-CD2 4.12Å; L56-L116 HydrophobicContact CG-CD2 4.12Å; L56-A119 HydrophobicContact CD1-CB 3.75Å; L56-L120 HydrophobicContact CD1-CD2 4.3Å; L56-L120 HydrophobicContact CD1-CG 4.33Å; L56-L120 HydrophobicContact CD2-CD2 4.34Å; L56-F125 HydrophobicContact CB-CB 4.28Å
57L94.6Very high93.2Very high86 Ų8654 Ų5445%0.4530%0.299SS..Hα-helixtrans-95.3-26.6-172.7-62.1-175.7000114.3M53 A60 A61 L116M53-L57 HydrophobicContact CE-CD1 3.42Å; M53-L57 VanDerWaalsContact CE-CD1 3.42Å; M53-L57 HydrophobicContact CE-CD2 4.46Å; M53-L57 HydrophobicContact CE-CG 3.77Å; M53-L57 WeakPolarHBondContact O-CB 3.41Å; M53-L57 PolarHBondContact O-N 3.21Å; L57-A60 WeakPolarHBondContact O-CB 3.3Å; L57-A60 PolarHBondContact O-N 3.49Å; L57-A61 PolarHBondContact O-N 3.32Å; L57-L116 HydrophobicContact CD2-CD2 4Å
58G94.3Very high93.3Very high27 Ų2750.8 Ų50.828%0.27829%0.286SS..Hα-helixtrans-58.9-55.9-176.800000112.6T54 A60 A61 V62T54-G58 WeakPolarHBondContact O-CA 3.5Å; T54-G58 PolarHBondContact O-N 3.38Å; G58-A60 VanDerWaalsContact C-N 3.27Å; G58-A60 PolarHBondContact O-N 3Å; G58-A61 WeakPolarHBondContact O-CB 3.4Å; G58-A61 PolarHBondContact O-N 2.87Å; G58-A61 VanDerWaalsContact O-N 3.11Å; G58-V62 WeakPolarHBondContact O-CG2 3.14Å; G58-V62 PolarHBondContact O-N 3.34Å
59P93Very high93.3Very high28 Ų2856.5 Ų56.518%0.18231%0.311CS..Hα-helixtrans-60.6-35.5175.6-25.136.2000112.7F55 A61 V62 L63 W115F55-P59 VanDerWaalsContact O-CD 3.24Å; F55-P59 WeakPolarHBondContact O-CD 3.23Å; P59-A61 PolarHBondContact O-N 2.92Å; P59-V62 PolarHBondContact O-N 3.33Å; P59-L63 WeakPolarHBondContact O-CB 3.48Å; P59-L63 VanDerWaalsContact O-CG 3.24Å; P59-L63 WeakPolarHBondContact O-CG 3.4Å; P59-L63 PolarHBondContact O-N 2.92Å; P59-W115 HydrophobicContact CB-CD2 3.97Å; P59-W115 HydrophobicContact CB-CE3 4.43Å; P59-W115 HydrophobicContact CB-CG 4.49Å; P59-W115 HydrophobicContact CB-CH2 4.17Å; P59-W115 HydrophobicContact CB-CZ2 3.69Å; P59-W115 HydrophobicContact CG-CH2 4.13Å; P59-W115 HydrophobicContact CG-CZ2 3.55Å
60A94.4Very high93.2Very high8 Ų860.7 Ų60.77%0.06633%0.329CS..Hα-helixtrans-61.3-42.817400000112.1L57 G58 L63 F64 P112 L116L57-A60 WeakPolarHBondContact O-CB 3.3Å; L57-A60 PolarHBondContact O-N 3.49Å; G58-A60 VanDerWaalsContact C-N 3.27Å; G58-A60 PolarHBondContact O-N 3Å; A60-L63 PolarHBondContact O-N 3.2Å; A60-F64 WeakPolarHBondContact O-CB 3.34Å; A60-F64 PolarHBondContact O-N 2.95Å; A60-P112 HydrophobicContact CB-CB 4.18Å; A60-P112 WeakPolarHBondContact O-CG 3.41Å; A60-L116 HydrophobicContact CB-CD2 4.23Å; A60-L116 HydrophobicContact CB-CG 4.22Å
61A95.2Very high92.9Very high56 Ų5657.6 Ų57.646%0.46331%0.311SS..Hα-helixtrans-65.5-42.8176.800000111.9L57 G58 P59 F64 V65L57-A61 PolarHBondContact O-N 3.32Å; G58-A61 WeakPolarHBondContact O-CB 3.4Å; G58-A61 PolarHBondContact O-N 2.87Å; G58-A61 VanDerWaalsContact O-N 3.11Å; P59-A61 PolarHBondContact O-N 2.92Å; A61-F64 WeakPolarHBondContact O-CB 3.27Å; A61-F64 PolarHBondContact O-N 3.35Å; A61-V65 WeakPolarHBondContact O-CG2 3.45Å; A61-V65 PolarHBondContact O-N 3.32Å
62V94.6Very high92.5Very high78 Ų7858.9 Ų58.947%0.47333%0.329SS..Hα-helixtrans-62.2-45.6175.8173.30000111.1G58 P59 F64 V65 F66G58-V62 WeakPolarHBondContact O-CG2 3.14Å; G58-V62 PolarHBondContact O-N 3.34Å; P59-V62 PolarHBondContact O-N 3.33Å; V62-F64 VanDerWaalsContact C-N 3.28Å; V62-F64 PolarHBondContact O-N 3.47Å; V62-V65 PolarHBondContact O-N 3.22Å; V62-F66 HydrophobicContact CG1-CD2 3.78Å; V62-F66 HydrophobicContact CG1-CE2 3.42Å; V62-F66 VanDerWaalsContact CG1-CE2 3.42Å; V62-F66 HydrophobicContact CG1-CZ 4.3Å; V62-F66 WeakPolarHBondContact O-CD2 3.42Å; V62-F66 PolarHBondContact O-N 3.37Å
63L93.4Very high92.1Very high54 Ų5464.3 Ų64.328%0.28335%0.35SS..Hα-helixtrans-62.5-35.8175.9-72.8172.2000112.2P59 A60 F66 G67 A111 P112 W115P59-L63 WeakPolarHBondContact O-CB 3.48Å; P59-L63 VanDerWaalsContact O-CG 3.24Å; P59-L63 WeakPolarHBondContact O-CG 3.4Å; P59-L63 PolarHBondContact O-N 2.92Å; A60-L63 PolarHBondContact O-N 3.2Å; L63-F66 PolarHBondContact O-N 2.92Å; L63-G67 PolarHBondContact O-N 2.86Å; L63-A111 HydrophobicContact CB-CB 4.2Å; L63-A111 HydrophobicContact CD1-CB 4.46Å; L63-A111 HydrophobicContact CD2-CB 4.45Å; L63-P112 HydrophobicContact CB-CG 4.21Å; L63-W115 HydrophobicContact CD1-CB 3.83Å; L63-W115 HydrophobicContact CD1-CG 4.35Å
64F95Very high91.8Very high63 Ų6363.7 Ų63.728%0.27635%0.347SS..Hα-helixtrans-64.3-46.2175.8178.4-110.1000111A60 A61 V62 F66 G67 L68 I105 A108 P112A60-F64 WeakPolarHBondContact O-CB 3.34Å; A60-F64 PolarHBondContact O-N 2.95Å; A61-F64 WeakPolarHBondContact O-CB 3.27Å; A61-F64 PolarHBondContact O-N 3.35Å; V62-F64 VanDerWaalsContact C-N 3.28Å; V62-F64 PolarHBondContact O-N 3.47Å; F64-F66 PolarHBondContact O-N 3.46Å; F64-G67 WeakPolarHBondContact O-CA 3.32Å; F64-G67 PolarHBondContact O-N 3.38Å; F64-G67 VanDerWaalsContact O-N 3.14Å; F64-L68 HydrophobicContact CD1-CD1 4.18Å; F64-L68 HydrophobicContact CE1-CD1 3.64Å; F64-L68 HydrophobicContact CE1-CG 4.32Å; F64-L68 HydrophobicContact CZ-CD1 3.93Å; F64-L68 HydrophobicContact CZ-CD2 4.31Å; F64-L68 HydrophobicContact CZ-CG 4.25Å; F64-L68 PolarHBondContact O-N 3.26Å; F64-I105 HydrophobicContact CE2-CG2 4.2Å; F64-I105 HydrophobicContact CZ-CG2 4.39Å; F64-A108 HydrophobicContact CD2-CB 3.98Å; F64-A108 HydrophobicContact CE2-CB 3.87Å; F64-P112 HydrophobicContact CB-CG 3.64Å; F64-P112 HydrophobicContact CD2-CG 4.37Å
65V95.4Very high91.4Very high69 Ų6965.2 Ų65.242%0.41834%0.344SS..Hα-helixtrans-59.4-47.2176.1170.90000110.9A61 V62 G67 L68 F69A61-V65 WeakPolarHBondContact O-CG2 3.45Å; A61-V65 PolarHBondContact O-N 3.32Å; V62-V65 PolarHBondContact O-N 3.22Å; V65-G67 VanDerWaalsContact C-N 3.31Å; V65-G67 PolarHBondContact O-N 2.94Å; V65-L68 WeakPolarHBondContact O-CB 3.44Å; V65-L68 PolarHBondContact O-N 2.99Å; V65-L68 VanDerWaalsContact O-N 3.11Å; V65-F69 HydrophobicContact CG1-CD2 3.65Å; V65-F69 HydrophobicContact CG1-CE2 3.49Å; V65-F69 VanDerWaalsContact CG1-CE2 3.49Å; V65-F69 VanDerWaalsContact O-CD2 3.3Å; V65-F69 WeakPolarHBondContact O-CD2 3.46Å; V65-F69 PolarHBondContact O-N 2.69Å
66F92.3Very high90.9Very high108 Ų10868.6 Ų68.647%0.47436%0.356SS..Hα-helixtrans-60.7-40.1174.4-73.6-47.5000112.5V62 L63 F64 L68 F69 F70V62-F66 HydrophobicContact CG1-CD2 3.78Å; V62-F66 HydrophobicContact CG1-CE2 3.42Å; V62-F66 VanDerWaalsContact CG1-CE2 3.42Å; V62-F66 HydrophobicContact CG1-CZ 4.3Å; V62-F66 WeakPolarHBondContact O-CD2 3.42Å; V62-F66 PolarHBondContact O-N 3.37Å; L63-F66 PolarHBondContact O-N 2.92Å; F64-F66 PolarHBondContact O-N 3.46Å; F66-L68 PolarHBondContact O-N 3.38Å; F66-F69 PolarHBondContact O-N 3.01Å; F66-F69 VanDerWaalsContact O-N 3.15Å; F66-F70 HydrophobicContact CB-CD2 4.33Å; F66-F70 HydrophobicContact CB-CE2 4.16Å; F66-F70 HydrophobicContact CD1-CE2 4.38Å; F66-F70 WeakPolarHBondContact O-CD2 3.42Å; F66-F70 PolarHBondContact O-N 3.32Å
67G92.1Very high90.2Very high25 Ų2569.1 Ų69.126%0.25836%0.359SS..Hα-helixtrans-58-35.6174.200000113.2L63 F64 V65L63-G67 PolarHBondContact O-N 2.86Å; F64-G67 WeakPolarHBondContact O-CA 3.32Å; F64-G67 PolarHBondContact O-N 3.38Å; F64-G67 VanDerWaalsContact O-N 3.14Å; V65-G67 VanDerWaalsContact C-N 3.31Å; V65-G67 PolarHBondContact O-N 2.94Å
68L91.6Very high89.5Confident42 Ų4272.2 Ų72.222%0.2237%0.365CS..Hα-helixtrans-70.8-46.8172.5-65.7176.4000111.7F64 V65 F66 F70 S71 L74 I104 A108F64-L68 HydrophobicContact CD1-CD1 4.18Å; F64-L68 HydrophobicContact CE1-CD1 3.64Å; F64-L68 HydrophobicContact CE1-CG 4.32Å; F64-L68 HydrophobicContact CZ-CD1 3.93Å; F64-L68 HydrophobicContact CZ-CD2 4.31Å; F64-L68 HydrophobicContact CZ-CG 4.25Å; F64-L68 PolarHBondContact O-N 3.26Å; V65-L68 WeakPolarHBondContact O-CB 3.44Å; V65-L68 PolarHBondContact O-N 2.99Å; V65-L68 VanDerWaalsContact O-N 3.11Å; F66-L68 PolarHBondContact O-N 3.38Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 2.97Å; L68-S71 VanDerWaalsContact O-CB 3.31Å; L68-S71 WeakPolarHBondContact O-CB 3.24Å; L68-S71 PolarHBondContact O-N 3.24Å; L68-L74 HydrophobicContact CB-CD2 3.9Å; L68-L74 HydrophobicContact CD2-CD2 4.35Å; L68-L74 WeakPolarHBondContact O-CD2 3.37Å; L68-I104 HydrophobicContact CD2-CG2 4.1Å; L68-A108 HydrophobicContact CD2-CB 3.82Å; L68-A108 HydrophobicContact CG-CB 4.14Å
69F91.5Very high89Confident120 Ų12075.5 Ų75.553%0.52638%0.38SS..Hα-helixtrans-57.8-38.9178.7-87.7-74.3000113.2V65 F66 S71 W75V65-F69 HydrophobicContact CG1-CD2 3.65Å; V65-F69 HydrophobicContact CG1-CE2 3.49Å; V65-F69 VanDerWaalsContact CG1-CE2 3.49Å; V65-F69 VanDerWaalsContact O-CD2 3.3Å; V65-F69 WeakPolarHBondContact O-CD2 3.46Å; V65-F69 PolarHBondContact O-N 2.69Å; F66-F69 PolarHBondContact O-N 3.01Å; F66-F69 VanDerWaalsContact O-N 3.15Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 3.36Å; F69-W75 HydrophobicContact CD1-CH2 4.34Å; F69-W75 AromaticContact CD1-CZ2 3.85Å; F69-W75 HydrophobicContact CD1-CZ2 3.85Å; F69-W75 HydrophobicContact CE1-CH2 4.43Å; F69-W75 HydrophobicContact CE1-CZ2 4.39Å; F69-W75 PolarHBondContact O-NE1 3.11Å
70F87.8Confident88Confident172 Ų17275.4 Ų75.475%0.75438%0.384SS*.THydrogen-bonded Turntrans-83.90.8179.4-65-61.3000113.9F66 L68 S72F66-F70 HydrophobicContact CB-CD2 4.33Å; F66-F70 HydrophobicContact CB-CE2 4.16Å; F66-F70 HydrophobicContact CD1-CE2 4.38Å; F66-F70 WeakPolarHBondContact O-CD2 3.42Å; F66-F70 PolarHBondContact O-N 3.32Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 2.97Å; F70-S72 PolarHBondContact O-N 2.87Å
71S87.9Confident87.1Confident21 Ų2176.4 Ų76.415%0.14739%0.391CS..  trans-83101.5-179.8-176.80000112L68 F69 R73 L74 W75L68-S71 VanDerWaalsContact O-CB 3.31Å; L68-S71 WeakPolarHBondContact O-CB 3.24Å; L68-S71 PolarHBondContact O-N 3.24Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 3.36Å; S71-R73 PolarHBondContact O-N 2.78Å; S71-R73 VanDerWaalsContact O-N 3.15Å; S71-L74 WeakPolarHBondContact O-CB 3.27Å; S71-L74 PolarHBondContact O-N 3.24Å; S71-L74 PolarHBondContact OG-N 2.9Å; S71-W75 PolarHBondContact O-N 2.9Å
72S84.9Confident86.1Confident94 Ų9480.1 Ų80.166%0.65741%0.411SS*.Hα-helixtrans-58.2-27.3172.459.80000113.6F70 R76F70-S72 PolarHBondContact O-N 2.87Å; S72-R76 WeakPolarHBondContact O-CB 3.27Å; S72-R76 PolarHBondContact O-N 3.4Å
73R83.4Confident84.9Confident115 Ų11582.9 Ų82.943%0.43442%0.423SS..Hα-helixtrans-69.5-34175.9-61.5-175.8-165.8162.910.9112.1S71 L77 I104S71-R73 PolarHBondContact O-N 2.78Å; S71-R73 VanDerWaalsContact O-N 3.15Å; R73-L77 PolarHBondContact O-N 3.29Å; R73-I104 HydrophobicContact CB-CD1 4.41Å; R73-I104 HydrophobicContact CB-CG1 4.07Å
74L86.5Confident83.6Confident40 Ų4083 Ų8321%0.20942%0.424CS..Hα-helixtrans-67.4-48.5175.7-179.165.2000110.3L68 S71 R76 L77 Y78 I104L68-L74 HydrophobicContact CB-CD2 3.9Å; L68-L74 HydrophobicContact CD2-CD2 4.35Å; L68-L74 WeakPolarHBondContact O-CD2 3.37Å; S71-L74 WeakPolarHBondContact O-CB 3.27Å; S71-L74 PolarHBondContact O-N 3.24Å; S71-L74 PolarHBondContact OG-N 2.9Å; L74-R76 PolarHBondContact O-N 2.61Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 3.28Å; L74-Y78 PolarHBondContact O-N 3.46Å; L74-I104 HydrophobicContact CB-CG2 4.14Å; L74-I104 HydrophobicContact CD1-CD1 4.46Å; L74-I104 HydrophobicContact CD1-CG2 4.36Å
75W87.1Confident82.2Confident113 Ų11384.4 Ų84.443%0.42844%0.439SS..Hα-helixtrans-61.2-43.4177.9-62.6114.9000112.4F69 S71 L77 Y78 T79F69-W75 HydrophobicContact CD1-CH2 4.34Å; F69-W75 AromaticContact CD1-CZ2 3.85Å; F69-W75 HydrophobicContact CD1-CZ2 3.85Å; F69-W75 HydrophobicContact CE1-CH2 4.43Å; F69-W75 HydrophobicContact CE1-CZ2 4.39Å; F69-W75 PolarHBondContact O-NE1 3.11Å; S71-W75 PolarHBondContact O-N 2.9Å; W75-L77 PolarHBondContact O-N 3.49Å; W75-Y78 PolarHBondContact O-N 3.01Å; W75-T79 VanDerWaalsContact O-CB 3.26Å; W75-T79 WeakPolarHBondContact O-CB 3.34Å; W75-T79 PolarHBondContact O-N 3.43Å; W75-T79 PolarHBondContact O-OG1 3.02Å
76R81.1Confident80.7Confident109 Ų10985 Ų8541%0.41144%0.439SS..Hα-helixtrans-60.8-29.3175.5-169.6175.666.6178.65113S72 L74 S267S72-R76 WeakPolarHBondContact O-CB 3.27Å; S72-R76 PolarHBondContact O-N 3.4Å; L74-R76 PolarHBondContact O-N 2.61Å; R76-S267 WeakPolarHBondContact CG-O 3.32Å
77L78Confident79.4Confident23 Ų2382.6 Ų82.612%0.1243%0.428CS..Hα-helixtrans-77.7-47.3175.5-173.266000110.9R73 L74 W75 L88 V100 I104R73-L77 PolarHBondContact O-N 3.29Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 3.28Å; W75-L77 PolarHBondContact O-N 3.49Å; L77-L88 HydrophobicContact CD1-CD1 4.06Å; L77-L88 HydrophobicContact CD1-CG 4Å; L77-L88 HydrophobicContact CD2-CG 4.47Å; L77-L88 HydrophobicContact CG-CD1 3.85Å; L77-L88 HydrophobicContact CG-CG 3.94Å; L77-L88 WeakPolarHBondContact O-CD1 3.4Å; L77-V100 HydrophobicContact CD2-CG1 4.32Å; L77-I104 HydrophobicContact CD2-CD1 4.17Å
78Y80.1Confident77.8Confident152 Ų15283.8 Ų83.860%0.59643%0.428SS*.Hα-helixtrans-82.6-33.6-169.7-164.5-100.7000114.2L74 W75 G80 C81L74-Y78 PolarHBondContact O-N 3.46Å; W75-Y78 PolarHBondContact O-N 3.01Å; Y78-G80 PolarHBondContact O-N 3.45Å; Y78-C81 VanDerWaalsContact O-CB 3.26Å; Y78-C81 WeakPolarHBondContact O-CB 3.28Å; Y78-C81 PolarHBondContact O-N 2.94Å; Y78-C81 VanDerWaalsContact O-N 3.08Å
79T83.1Confident76.4Confident95 Ų9584.4 Ų84.458%0.58344%0.435SS*.THydrogen-bonded Turntrans-63.7119.8-179.2-59.80000110.5W75W75-T79 VanDerWaalsContact O-CB 3.26Å; W75-T79 WeakPolarHBondContact O-CB 3.34Å; W75-T79 PolarHBondContact O-N 3.43Å; W75-T79 PolarHBondContact O-OG1 3.02Å
80G73.1Confident75.1Confident26 Ų2682.1 Ų82.127%0.26843%0.432SS..THydrogen-bonded Turntrans87.59.4-177.300000115.2Y78 C82 L83 N84Y78-G80 PolarHBondContact O-N 3.45Å; G80-C82 VanDerWaalsContact C-N 3.29Å; G80-C82 PolarHBondContact O-N 3.32Å; G80-L83 PolarHBondContact O-N 3.39Å; G80-L83 VanDerWaalsContact O-N 3.14Å; G80-N84 PolarHBondContact O-N 3.23Å; G80-N84 VanDerWaalsContact O-N 3.14Å
81C75.4Confident73.7Confident30 Ų3084.8 Ų84.820%0.20344%0.437CS..THydrogen-bonded Turntrans-61-33.5177.6-1760000113.6Y78 L83 N84 P85 L88Y78-C81 VanDerWaalsContact O-CB 3.26Å; Y78-C81 WeakPolarHBondContact O-CB 3.28Å; Y78-C81 PolarHBondContact O-N 2.94Å; Y78-C81 VanDerWaalsContact O-N 3.08Å; C81-L83 VanDerWaalsContact C-N 3.31Å; C81-N84 CarbonylContact O-C 3.32Å; C81-P85 WeakPolarHBondContact O-CA 3.39Å; C81-L88 HydrophobicContact CB-CD1 4.02Å
82C73.5Confident72.4Confident133 Ų13388 Ų8890%0.89947%0.474SS*.THydrogen-bonded Turntrans-76.1-19.2178.1-61.90000113.1G80G80-C82 VanDerWaalsContact C-N 3.29Å; G80-C82 PolarHBondContact O-N 3.32Å
83L68.9Low71.7Confident137 Ų13787.6 Ų87.672%0.71747%0.465SS*.THydrogen-bonded Turntrans-83.6-38.9176.2-70159.3000110.8G80 C81G80-L83 PolarHBondContact O-N 3.39Å; G80-L83 VanDerWaalsContact O-N 3.14Å; C81-L83 VanDerWaalsContact C-N 3.31Å
84N67.4Low71.1Confident57 Ų5786.9 Ų86.931%0.30548%0.476SS..  trans-146.290-179.4-167.1-11.9000110.9G80 C81 M86 K87 E264G80-N84 PolarHBondContact O-N 3.23Å; G80-N84 VanDerWaalsContact O-N 3.14Å; C81-N84 CarbonylContact O-C 3.32Å; N84-M86 PolarHBondContact O-N 3.43Å; N84-M86 VanDerWaalsContact O-N 3.09Å; N84-M86 WeakPolarHBondContact OD1-CB 3.17Å; N84-M86 PolarHBondContact OD1-N 3.4Å; N84-K87 HydrophobicContact CB-CG 4.47Å; N84-K87 WeakPolarHBondContact O-CB 3.49Å; N84-K87 PolarHBondContact O-N 3.06Å; N84-E264 WeakPolarHBondContact CB-OE1 3.49Å; N84-E264 PolarHBondContact ND2-OE1 3.43Å; N84-E264 VanDerWaalsContact ND2-OE1 3.13Å
85P65.8Low70.5Confident92 Ų9292.1 Ų92.160%0.59750%0.504SS*.G310 helixtrans-64-19-17724.3-33000112.8C81 K87 L88C81-P85 WeakPolarHBondContact O-CA 3.39Å; P85-K87 PolarHBondContact O-N 3.1Å; P85-L88 PolarHBondContact O-N 2.93Å
86M64.3Low70Confident82 Ų8287.7 Ų87.740%0.40449%0.493SS..G310 helixtrans-72.5-12.8177.2-62.7-77-72.600113.1N84 L88 C89 R91N84-M86 PolarHBondContact O-N 3.43Å; N84-M86 VanDerWaalsContact O-N 3.09Å; N84-M86 WeakPolarHBondContact OD1-CB 3.17Å; N84-M86 PolarHBondContact OD1-N 3.4Å; M86-L88 VanDerWaalsContact C-N 3.34Å; M86-C89 CarbonylContact O-C 3.46Å; M86-R91 HydrophobicContact CE-CB 3.8Å; M86-R91 HydrophobicContact CE-CG 3.61Å; M86-R91 HydrophobicContact SD-CG 4.03Å
87K63.2Low69.7Low56 Ų5683.7 Ų83.724%0.24348%0.481CS..G310 helixtrans-65.7-34.2172-94.6-174.1166.6-174.50113.2N84 P85 E264N84-K87 HydrophobicContact CB-CG 4.47Å; N84-K87 WeakPolarHBondContact O-CB 3.49Å; N84-K87 PolarHBondContact O-N 3.06Å; P85-K87 PolarHBondContact O-N 3.1Å; K87-E264 VanDerWaalsContact CE-CG 3.43Å; K87-E264 WeakPolarHBondContact CE-O 3.4Å; K87-E264 WeakPolarHBondContact CE-OE1 3.36Å; K87-E264 PolarHBondContact NZ-O 3.41Å; K87-E264 IonicContact NZ-OE1 2.68Å
88L58.8Low69.9Low51 Ų5188.7 Ų88.727%0.26750%0.502SS..THydrogen-bonded Turntrans-72.2-52.2-177.7-120.477.3000110.8L77 C81 P85 M86 C97L77-L88 HydrophobicContact CD1-CD1 4.06Å; L77-L88 HydrophobicContact CD1-CG 4Å; L77-L88 HydrophobicContact CD2-CG 4.47Å; L77-L88 HydrophobicContact CG-CD1 3.85Å; L77-L88 HydrophobicContact CG-CG 3.94Å; L77-L88 WeakPolarHBondContact O-CD1 3.4Å; C81-L88 HydrophobicContact CB-CD1 4.02Å; P85-L88 PolarHBondContact O-N 2.93Å; M86-L88 VanDerWaalsContact C-N 3.34Å; L88-C97 PolarHBondContact O-SG 3.24Å
89C63.4Low70Confident55 Ų5588.8 Ų88.837%0.37250%0.502SS..SBendtrans-136.3106.4177.6-49.10000109.3M86 C97M86-C89 CarbonylContact O-C 3.46Å; C89-C97 HydrophobicContact CB-CB 3.81Å; C89-C97 WeakPolarHBondContact CB-SG 3.4Å; C89-C97 WeakPolarHBondContact SG-CB 3.24Å; C89-C97 CovalentContact SG-SG 2.06Å; C89-C97 PolarHBondContact SG-SG 3.39Å
90P63.3Low70Confident71 Ų7185.2 Ų85.246%0.46148%0.48SS..  trans-59141.1171.2-19.530.3000110.1G92 N93P90-G92 PolarHBondContact O-N 2.81Å; P90-G92 VanDerWaalsContact O-N 3.11Å; P90-N93 PolarHBondContact O-N 3.47Å; P90-N93 VanDerWaalsContact O-N 3.08Å
91R58Low70.5Confident228 Ų22887.8 Ų87.886%0.8649%0.487SS*.THydrogen-bonded Turntrans-48.7121.3175.8-94.9175.3-177.3155.1-0.5109.7M86M86-R91 HydrophobicContact CE-CB 3.8Å; M86-R91 HydrophobicContact CE-CG 3.61Å; M86-R91 HydrophobicContact SD-CG 4.03Å
92G61.7Low71.1Confident90 Ų9090.3 Ų90.393%0.92850%0.498SS*.THydrogen-bonded Turntrans95.6-3.9177.100000116.7P90P90-G92 PolarHBondContact O-N 2.81Å; P90-G92 VanDerWaalsContact O-N 3.11Å
93N68.9Low71.7Confident85 Ų8585.6 Ų85.646%0.45547%0.466SS..  trans-120.749-178.2-162.722.6000114.7P90 L95 G96 C97P90-N93 PolarHBondContact O-N 3.47Å; P90-N93 VanDerWaalsContact O-N 3.08Å; N93-L95 PolarHBondContact O-N 3.49Å; N93-G96 PolarHBondContact O-N 2.98Å; N93-G96 VanDerWaalsContact O-N 3.12Å; N93-G96 PolarHBondContact OD1-N 3.01Å; N93-C97 PolarHBondContact O-N 3.26Å
94C71.8Confident72.7Confident100 Ų10079.3 Ų79.368%0.67643%0.433SS*.Hα-helixtrans-56.8-35.3177.4-169.90000112.7C97 F98C94-C97 WeakPolarHBondContact O-CB 3.5Å; C94-C97 PolarHBondContact O-N 3.37Å; C94-F98 PolarHBondContact O-N 2.92Å
95L74.8Confident73.9Confident150 Ų15079.4 Ų79.479%0.78543%0.433SS*.Hα-helixtrans-64.6-38.7177.2-74.2164000112.7N93 R99N93-L95 PolarHBondContact O-N 3.49Å; L95-R99 WeakPolarHBondContact O-CB 3.43Å; L95-R99 PolarHBondContact O-N 3.48Å
96G75.3Confident75.1Confident20 Ų2079 Ų7921%0.20643%0.429CS..Hα-helixtrans-64.1-45.217400000111.5N93 R99 V100N93-G96 PolarHBondContact O-N 2.98Å; N93-G96 VanDerWaalsContact O-N 3.12Å; N93-G96 PolarHBondContact OD1-N 3.01Å; G96-R99 PolarHBondContact O-N 3.48Å; G96-V100 WeakPolarHBondContact O-CG2 3.37Å; G96-V100 PolarHBondContact O-N 2.99Å
97C76.1Confident76.3Confident24 Ų2477.4 Ų77.416%0.16243%0.434CS..Hα-helixtrans-58.9-49.9178-153.70000111.5L88 C89 N93 C94 R99 V100 L101L88-C97 PolarHBondContact O-SG 3.24Å; C89-C97 HydrophobicContact CB-CB 3.81Å; C89-C97 WeakPolarHBondContact CB-SG 3.4Å; C89-C97 WeakPolarHBondContact SG-CB 3.24Å; C89-C97 CovalentContact SG-SG 2.06Å; C89-C97 PolarHBondContact SG-SG 3.39Å; N93-C97 PolarHBondContact O-N 3.26Å; C94-C97 WeakPolarHBondContact O-CB 3.5Å; C94-C97 PolarHBondContact O-N 3.37Å; C97-R99 VanDerWaalsContact C-N 3.33Å; C97-R99 PolarHBondContact O-N 3.46Å; C97-V100 PolarHBondContact O-N 3.35Å; C97-L101 PolarHBondContact O-N 3.01Å
98F81.1Confident77.7Confident128 Ų12875 Ų7556%0.56143%0.425SS*.Hα-helixtrans-60-41.1176.1-177.6-101.2000112.5C94 V100 L101 L102C94-F98 PolarHBondContact O-N 2.92Å; F98-V100 VanDerWaalsContact C-N 3.34Å; F98-V100 PolarHBondContact O-N 3.4Å; F98-L101 PolarHBondContact O-N 3.28Å; F98-L102 HydrophobicContact CE1-CD2 4.24Å; F98-L102 VanDerWaalsContact O-CB 3.26Å; F98-L102 WeakPolarHBondContact O-CB 3.17Å; F98-L102 PolarHBondContact O-N 2.82Å
99R82.3Confident79.4Confident155 Ų15574.5 Ų74.559%0.58543%0.425SS*.Hα-helixtrans-62.6-39.7177.1-177.2-175.3-76.6-176.4-1.8112.1L95 G96 C97 S103L95-R99 WeakPolarHBondContact O-CB 3.43Å; L95-R99 PolarHBondContact O-N 3.48Å; G96-R99 PolarHBondContact O-N 3.48Å; C97-R99 VanDerWaalsContact C-N 3.33Å; C97-R99 PolarHBondContact O-N 3.46Å; R99-S103 WeakPolarHBondContact O-CB 3.34Å; R99-S103 PolarHBondContact O-N 2.88Å
100V82.3Confident80.7Confident20 Ų2074.2 Ų74.212%0.12142%0.421CS..Hα-helixtrans-66.7-47.7177.3174.90000110.4L77 G96 C97 F98 L102 S103 I104 Y269L77-V100 HydrophobicContact CD2-CG1 4.32Å; G96-V100 WeakPolarHBondContact O-CG2 3.37Å; G96-V100 PolarHBondContact O-N 2.99Å; C97-V100 PolarHBondContact O-N 3.35Å; F98-V100 VanDerWaalsContact C-N 3.34Å; F98-V100 PolarHBondContact O-N 3.4Å; V100-L102 PolarHBondContact O-N 3.31Å; V100-S103 WeakPolarHBondContact O-CB 3.28Å; V100-S103 PolarHBondContact O-N 3.18Å; V100-I104 HydrophobicContact CG1-CD1 4.19Å; V100-I104 WeakPolarHBondContact O-CG1 3.3Å; V100-I104 PolarHBondContact O-N 3.33Å; V100-I104 VanDerWaalsContact O-N 3.1Å; V100-Y269 HydrophobicContact CG1-CD2 4.13Å; V100-Y269 HydrophobicContact CG1-CE2 3.7Å; V100-Y269 HydrophobicContact CG2-CD1 4.13Å; V100-Y269 HydrophobicContact CG2-CE1 3.56Å; V100-Y269 HydrophobicContact CG2-CE2 4.23Å
101L85.1Confident82.1Confident80 Ų8071.5 Ų71.542%0.41941%0.405SS..Hα-helixtrans-60-46.8177.6-176.165.1000111.5C97 F98 S103 I104 I105C97-L101 PolarHBondContact O-N 3.01Å; F98-L101 PolarHBondContact O-N 3.28Å; L101-S103 VanDerWaalsContact C-N 3.28Å; L101-S103 PolarHBondContact O-N 3.33Å; L101-I104 WeakPolarHBondContact O-CB 3.34Å; L101-I104 PolarHBondContact O-N 2.92Å; L101-I105 HydrophobicContact CD1-CD1 4.28Å; L101-I105 HydrophobicContact CD2-CD1 4.4Å; L101-I105 HydrophobicContact CG-CD1 3.87Å; L101-I105 HydrophobicContact CG-CG1 4.47Å; L101-I105 WeakPolarHBondContact O-CG1 3.41Å; L101-I105 PolarHBondContact O-N 3.47Å
102L87.3Confident83.8Confident83 Ų8361.2 Ų61.244%0.43537%0.368SS..Hα-helixtrans-58.3-42.4176.5-175.663.9000111.1F98 V100 I104 I105 T106F98-L102 HydrophobicContact CE1-CD2 4.24Å; F98-L102 VanDerWaalsContact O-CB 3.26Å; F98-L102 WeakPolarHBondContact O-CB 3.17Å; F98-L102 PolarHBondContact O-N 2.82Å; V100-L102 PolarHBondContact O-N 3.31Å; L102-I104 VanDerWaalsContact C-N 3.26Å; L102-I104 PolarHBondContact O-N 2.67Å; L102-I105 PolarHBondContact O-N 2.9Å; L102-T106 HydrophobicContact CD1-CG2 4.22Å; L102-T106 HydrophobicContact CG-CG2 4.29Å; L102-T106 WeakPolarHBondContact O-CB 3.31Å; L102-T106 VanDerWaalsContact O-CG2 3.26Å; L102-T106 WeakPolarHBondContact O-CG2 3.42Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 2.9Å; L102-T106 VanDerWaalsContact O-OG1 3.07Å
103S86.4Confident85.4Confident33 Ų3359.2 Ų59.223%0.23134%0.337CS..Hα-helixtrans-63.7-29.6176.6-178.10000113.5R99 V100 L101 T106R99-S103 WeakPolarHBondContact O-CB 3.34Å; R99-S103 PolarHBondContact O-N 2.88Å; V100-S103 WeakPolarHBondContact O-CB 3.28Å; V100-S103 PolarHBondContact O-N 3.18Å; L101-S103 VanDerWaalsContact C-N 3.28Å; L101-S103 PolarHBondContact O-N 3.33Å; S103-T106 WeakPolarHBondContact CA-OG1 3.32Å; S103-T106 PolarHBondContact O-OG1 3.48Å; S103-T106 VanDerWaalsContact O-OG1 3.12Å
104I90.2Very high86.5Confident5 Ų557 Ų573%0.02633%0.325CS..Hα-helixtrans-74-49.6175.6-67.5164.3000109.2L68 R73 L74 L77 V100 L101 L102 T106 G107 A108L68-I104 HydrophobicContact CD2-CG2 4.1Å; R73-I104 HydrophobicContact CB-CD1 4.41Å; R73-I104 HydrophobicContact CB-CG1 4.07Å; L74-I104 HydrophobicContact CB-CG2 4.14Å; L74-I104 HydrophobicContact CD1-CD1 4.46Å; L74-I104 HydrophobicContact CD1-CG2 4.36Å; L77-I104 HydrophobicContact CD2-CD1 4.17Å; V100-I104 HydrophobicContact CG1-CD1 4.19Å; V100-I104 WeakPolarHBondContact O-CG1 3.3Å; V100-I104 PolarHBondContact O-N 3.33Å; V100-I104 VanDerWaalsContact O-N 3.1Å; L101-I104 WeakPolarHBondContact O-CB 3.34Å; L101-I104 PolarHBondContact O-N 2.92Å; L102-I104 VanDerWaalsContact C-N 3.26Å; L102-I104 PolarHBondContact O-N 2.67Å; I104-T106 PolarHBondContact O-N 3.16Å; I104-G107 PolarHBondContact O-N 2.87Å; I104-G107 VanDerWaalsContact O-N 3.09Å; I104-A108 PolarHBondContact O-N 3.24Å
105I92.1Very high87.6Confident60 Ų6052.7 Ų52.731%0.30829%0.294SS..Hα-helixtrans-59.1-47.3179.8-67170.9000110.6F64 L101 L102 G107 A108 C109F64-I105 HydrophobicContact CE2-CG2 4.2Å; F64-I105 HydrophobicContact CZ-CG2 4.39Å; L101-I105 HydrophobicContact CD1-CD1 4.28Å; L101-I105 HydrophobicContact CD2-CD1 4.4Å; L101-I105 HydrophobicContact CG-CD1 3.87Å; L101-I105 HydrophobicContact CG-CG1 4.47Å; L101-I105 WeakPolarHBondContact O-CG1 3.41Å; L101-I105 PolarHBondContact O-N 3.47Å; L102-I105 PolarHBondContact O-N 2.9Å; I105-G107 PolarHBondContact O-N 3.13Å; I105-A108 PolarHBondContact O-N 3.04Å; I105-C109 PolarHBondContact O-N 3.42Å; I105-C109 PolarHBondContact O-SG 2.94Å
106T89.9Confident88.6Confident83 Ų8347.5 Ų47.551%0.50927%0.267SS..Hα-helixtrans-59.9-31.5178.655.10000112.6L102 S103 I104L102-T106 HydrophobicContact CD1-CG2 4.22Å; L102-T106 HydrophobicContact CG-CG2 4.29Å; L102-T106 WeakPolarHBondContact O-CB 3.31Å; L102-T106 VanDerWaalsContact O-CG2 3.26Å; L102-T106 WeakPolarHBondContact O-CG2 3.42Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 2.9Å; L102-T106 VanDerWaalsContact O-OG1 3.07Å; S103-T106 WeakPolarHBondContact CA-OG1 3.32Å; S103-T106 PolarHBondContact O-OG1 3.48Å; S103-T106 VanDerWaalsContact O-OG1 3.12Å; I104-T106 PolarHBondContact O-N 3.16Å
107G89.9Confident89.5Confident49 Ų4947.2 Ų47.251%0.50526%0.262SS..Hα-helixtrans-72.7-40.7174.600000112.6I104 I105 V110I104-G107 PolarHBondContact O-N 2.87Å; I104-G107 VanDerWaalsContact O-N 3.09Å; I105-G107 PolarHBondContact O-N 3.13Å; G107-V110 WeakPolarHBondContact O-CG2 3.41Å
108A93.7Very high90.3Very high6 Ų647.4 Ų47.45%0.0526%0.262CS..Hα-helixtrans-71-28178.300000113.2F64 L68 I104 I105 V110 P112F64-A108 HydrophobicContact CD2-CB 3.98Å; F64-A108 HydrophobicContact CE2-CB 3.87Å; L68-A108 HydrophobicContact CD2-CB 3.82Å; L68-A108 HydrophobicContact CG-CB 4.14Å; I104-A108 PolarHBondContact O-N 3.24Å; I105-A108 PolarHBondContact O-N 3.04Å; A108-V110 VanDerWaalsContact C-N 3.27Å; A108-V110 PolarHBondContact O-N 2.92Å; A108-P112 WeakPolarHBondContact O-CD 3.39Å
109C94.1Very high90.9Very high40 Ų4041.3 Ų41.327%0.2724%0.236SC..THydrogen-bonded Turntrans-73.7-8.2-179.8-70.30000115.1I105 P112 V113I105-C109 PolarHBondContact O-N 3.42Å; I105-C109 PolarHBondContact O-SG 2.94Å; C109-P112 WeakPolarHBondContact O-CD 3.37Å; C109-V113 WeakPolarHBondContact O-CB 3.35Å; C109-V113 VanDerWaalsContact O-CG2 3.25Å; C109-V113 WeakPolarHBondContact O-CG2 3.24Å; C109-V113 PolarHBondContact O-N 3.44Å
110V91.6Very high91.4Very high48 Ų4834.8 Ų34.829%0.29121%0.212SC..Hα-helixtrans-60-51-177.8176.10000111.7Y20 G107 A108 M114Y20-V110 HydrophobicContact CD1-CG1 4.22Å; Y20-V110 HydrophobicContact CE1-CG1 3.97Å; G107-V110 WeakPolarHBondContact O-CG2 3.41Å; A108-V110 VanDerWaalsContact C-N 3.27Å; A108-V110 PolarHBondContact O-N 2.92Å; V110-M114 HydrophobicContact CG1-CE 3.96Å; V110-M114 HydrophobicContact CG1-SD 4.46Å; V110-M114 WeakPolarHBondContact O-CG 3.36Å; V110-M114 PolarHBondContact O-N 2.97Å; V110-M114 VanDerWaalsContact O-N 3.07Å
111A91.3Very high92Very high15 Ų1536.3 Ų36.312%0.12422%0.219CC..Hα-helixtrans-66-45.9178.800000113.7M23 L63 V113 M114 W115M23-A111 HydrophobicContact CE-CB 3.76Å; L63-A111 HydrophobicContact CB-CB 4.2Å; L63-A111 HydrophobicContact CD1-CB 4.46Å; L63-A111 HydrophobicContact CD2-CB 4.45Å; A111-V113 VanDerWaalsContact C-N 3.35Å; A111-V113 PolarHBondContact O-N 2.77Å; A111-M114 HydrophobicContact CB-CE 4.39Å; A111-M114 PolarHBondContact O-N 3.34Å; A111-W115 PolarHBondContact O-N 3.19Å
112P95.1Very high92.3Very high12 Ų1233.1 Ų33.18%0.07820%0.203CC..Hα-helixtrans-54-45.8172.7-28.733.6000114A60 L63 F64 A108 C109 W115 L116A60-P112 HydrophobicContact CB-CB 4.18Å; A60-P112 WeakPolarHBondContact O-CG 3.41Å; L63-P112 HydrophobicContact CB-CG 4.21Å; F64-P112 HydrophobicContact CB-CG 3.64Å; F64-P112 HydrophobicContact CD2-CG 4.37Å; A108-P112 WeakPolarHBondContact O-CD 3.39Å; C109-P112 WeakPolarHBondContact O-CD 3.37Å; P112-W115 PolarHBondContact O-N 2.91Å; P112-L116 WeakPolarHBondContact O-CG 3.37Å; P112-L116 PolarHBondContact O-N 3.06Å
113V94.6Very high92.4Very high48 Ų4829.2 Ų29.229%0.29118%0.182SC..Hα-helixtrans-65.1-43.5179.1171.30000110.6C109 A111 W115 L116 C117 V187 A191C109-V113 WeakPolarHBondContact O-CB 3.35Å; C109-V113 VanDerWaalsContact O-CG2 3.25Å; C109-V113 WeakPolarHBondContact O-CG2 3.24Å; C109-V113 PolarHBondContact O-N 3.44Å; A111-V113 VanDerWaalsContact C-N 3.35Å; A111-V113 PolarHBondContact O-N 2.77Å; V113-W115 VanDerWaalsContact C-N 3.32Å; V113-W115 PolarHBondContact O-N 3.43Å; V113-L116 PolarHBondContact O-N 3.32Å; V113-C117 PolarHBondContact O-N 3.31Å; V113-C117 PolarHBondContact O-SG 2.97Å; V113-V187 HydrophobicContact CG1-CG1 4.33Å; V113-A191 HydrophobicContact CG1-CB 3.99Å
114M92.4Very high92.7Very high38 Ų3829.2 Ų29.219%0.18718%0.181CC..Hα-helixtrans-58.5-44.1175.4-73.1-171.7-59.200112M23 T27 V110 A111 C117 V118M23-M114 HydrophobicContact CB-CE 3.68Å; M23-M114 HydrophobicContact CB-SD 4.5Å; M23-M114 HydrophobicContact CE-CE 3.71Å; M23-M114 HydrophobicContact SD-CE 4.27Å; T27-M114 HydrophobicContact CG2-CB 4.42Å; V110-M114 HydrophobicContact CG1-CE 3.96Å; V110-M114 HydrophobicContact CG1-SD 4.46Å; V110-M114 WeakPolarHBondContact O-CG 3.36Å; V110-M114 PolarHBondContact O-N 2.97Å; V110-M114 VanDerWaalsContact O-N 3.07Å; A111-M114 HydrophobicContact CB-CE 4.39Å; A111-M114 PolarHBondContact O-N 3.34Å; M114-C117 PolarHBondContact O-N 3Å; M114-V118 WeakPolarHBondContact O-CG2 3.47Å; M114-V118 PolarHBondContact O-N 3.32Å; M114-V118 VanDerWaalsContact O-N 3.13Å
115W94.8Very high92.8Very high9 Ų929 Ų293%0.03418%0.18CC..Hα-helixtrans-58.1-51.1175.5168-93.5000112T27 E31 F34 L56 P59 L63 A111 P112 V113 C117 V118 A119 F125T27-W115 HydrophobicContact CG2-CB 4.18Å; T27-W115 HydrophobicContact CG2-CE3 4.3Å; E31-W115 HydrophobicContact CB-CE3 4.32Å; E31-W115 HydrophobicContact CB-CH2 4.11Å; E31-W115 HydrophobicContact CB-CZ3 3.68Å; E31-W115 HydrophobicContact CG-CH2 4.18Å; E31-W115 HydrophobicContact CG-CZ3 4.18Å; F34-W115 HydrophobicContact CB-CH2 4.39Å; F34-W115 AromaticContact CD2-CH2 3.92Å; F34-W115 HydrophobicContact CD2-CH2 3.92Å; F34-W115 HydrophobicContact CD2-CZ3 4.21Å; F34-W115 HydrophobicContact CG-CH2 4.46Å; L56-W115 PolarHBondContact O-NE1 3.15Å; P59-W115 HydrophobicContact CB-CD2 3.97Å; P59-W115 HydrophobicContact CB-CE3 4.43Å; P59-W115 HydrophobicContact CB-CG 4.49Å; P59-W115 HydrophobicContact CB-CH2 4.17Å; P59-W115 HydrophobicContact CB-CZ2 3.69Å; P59-W115 HydrophobicContact CG-CH2 4.13Å; P59-W115 HydrophobicContact CG-CZ2 3.55Å; L63-W115 HydrophobicContact CD1-CB 3.83Å; L63-W115 HydrophobicContact CD1-CG 4.35Å; A111-W115 PolarHBondContact O-N 3.19Å; P112-W115 PolarHBondContact O-N 2.91Å; V113-W115 VanDerWaalsContact C-N 3.32Å; V113-W115 PolarHBondContact O-N 3.43Å; W115-C117 VanDerWaalsContact C-N 3.3Å; W115-C117 PolarHBondContact O-N 3.4Å; W115-V118 PolarHBondContact O-N 3.14Å; W115-V118 VanDerWaalsContact O-N 3.16Å; W115-A119 HydrophobicContact CZ2-CB 4.48Å; W115-A119 WeakPolarHBondContact O-CB 3.2Å; W115-A119 PolarHBondContact O-N 3.26Å; W115-F125 HydrophobicContact CH2-CE2 4.19Å; W115-F125 AromaticContact CZ2-CE2 3.8Å; W115-F125 HydrophobicContact CZ2-CE2 3.8Å
116L95Very high92.8Very high41 Ų4127.8 Ų27.822%0.21517%0.172CC..Hα-helixtrans-59.7-41-179.4-69.1172.9000111.9L56 L57 A60 P112 V113 L120L56-L116 HydrophobicContact CD1-CD2 4.12Å; L56-L116 HydrophobicContact CG-CD2 4.12Å; L57-L116 HydrophobicContact CD2-CD2 4Å; A60-L116 HydrophobicContact CB-CD2 4.23Å; A60-L116 HydrophobicContact CB-CG 4.22Å; P112-L116 WeakPolarHBondContact O-CG 3.37Å; P112-L116 PolarHBondContact O-N 3.06Å; V113-L116 PolarHBondContact O-N 3.32Å; L116-L120 VanDerWaalsContact O-CB 3.22Å; L116-L120 WeakPolarHBondContact O-CB 3.22Å; L116-L120 WeakPolarHBondContact O-CD1 3.34Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.11Å
117C93.8Very high92.9Very high14 Ų1425 Ų2510%0.09515%0.153CC..Hα-helixtrans-58.5-49.2175.3-66.40000111.7V113 M114 W115 L121 I188V113-C117 PolarHBondContact O-N 3.31Å; V113-C117 PolarHBondContact O-SG 2.97Å; M114-C117 PolarHBondContact O-N 3Å; W115-C117 VanDerWaalsContact C-N 3.3Å; W115-C117 PolarHBondContact O-N 3.4Å; C117-L121 WeakPolarHBondContact O-CB 3.24Å; C117-L121 WeakPolarHBondContact O-CG 3.48Å; C117-L121 PolarHBondContact O-N 2.98Å; C117-I188 HydrophobicContact CB-CD1 4.19Å; C117-I188 HydrophobicContact CB-CG1 3.86Å; C117-I188 WeakPolarHBondContact SG-CG1 3.35Å
118V93.2Very high93.1Very high29 Ų2922.7 Ų22.718%0.17613%0.129CC..Hα-helixtrans-66.2-47.1-178.8177.20000111T27 I28 E31 M114 W115 L120 L121 N122T27-V118 HydrophobicContact CG2-CB 4.29Å; T27-V118 HydrophobicContact CG2-CG2 3.95Å; I28-V118 HydrophobicContact CG1-CG1 4.23Å; I28-V118 HydrophobicContact CG1-CG2 3.93Å; E31-V118 HydrophobicContact CB-CG1 3.65Å; E31-V118 HydrophobicContact CG-CG1 3.76Å; M114-V118 WeakPolarHBondContact O-CG2 3.47Å; M114-V118 PolarHBondContact O-N 3.32Å; M114-V118 VanDerWaalsContact O-N 3.13Å; W115-V118 PolarHBondContact O-N 3.14Å; W115-V118 VanDerWaalsContact O-N 3.16Å; V118-L120 PolarHBondContact O-N 2.9Å; V118-L121 PolarHBondContact O-N 2.88Å; V118-N122 PolarHBondContact O-N 3.4Å
119A93.3Very high93Very high0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-61.5-42.7-179.800000112.4E31 L56 W115 N122 G123 F125E31-A119 HydrophobicContact CG-CB 4.37Å; L56-A119 HydrophobicContact CD1-CB 3.75Å; W115-A119 HydrophobicContact CZ2-CB 4.48Å; W115-A119 WeakPolarHBondContact O-CB 3.2Å; W115-A119 PolarHBondContact O-N 3.26Å; A119-N122 PolarHBondContact O-N 3Å; A119-G123 PolarHBondContact O-N 3.25Å; A119-F125 HydrophobicContact CB-CD2 3.96Å; A119-F125 HydrophobicContact CB-CE2 4.18Å
120L94.5Very high92.8Very high17 Ų1721.2 Ų21.29%0.08912%0.118CC..Hα-helixtrans-68.8-35176.7-72.9170000112.5L56 L116 V118 G123 Y126 S180 V187L56-L120 HydrophobicContact CD1-CD2 4.3Å; L56-L120 HydrophobicContact CD1-CG 4.33Å; L56-L120 HydrophobicContact CD2-CD2 4.34Å; L116-L120 VanDerWaalsContact O-CB 3.22Å; L116-L120 WeakPolarHBondContact O-CB 3.22Å; L116-L120 WeakPolarHBondContact O-CD1 3.34Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.11Å; V118-L120 PolarHBondContact O-N 2.9Å; L120-G123 PolarHBondContact O-N 3.07Å; L120-Y126 HydrophobicContact CD2-CD2 4.16Å; L120-S180 CarbonylContact O-C 3.47Å; L120-S180 WeakPolarHBondContact O-CB 3.44Å; L120-S180 PolarHBondContact O-OG 3.41Å; L120-V187 HydrophobicContact CD1-CG2 4.27Å
121L93.2Very high92.7Very high53 Ų5319 Ų1928%0.27710%0.104SC..Hα-helixtrans-69.8-33.9176.2-74.3174.4000112.6C117 V118 Q181 W185 I188C117-L121 WeakPolarHBondContact O-CB 3.24Å; C117-L121 WeakPolarHBondContact O-CG 3.48Å; C117-L121 PolarHBondContact O-N 2.98Å; V118-L121 PolarHBondContact O-N 2.88Å; L121-Q181 PolarHBondContact O-NE2 3.28Å; L121-W185 HydrophobicContact CD2-CG 4.3Å; L121-I188 HydrophobicContact CD1-CD1 3.96Å
122N91.1Very high92.5Very high13 Ų1318.6 Ų18.67%0.0710%0.102CC..Hα-helixtrans-68-46.6172.1-170.631.1000111E31 S35 V118 A119 T124E31-N122 VanDerWaalsContact OE1-CB 3.28Å; E31-N122 WeakPolarHBondContact OE1-CB 3.47Å; E31-N122 PolarHBondContact OE1-ND2 2.95Å; S35-N122 PolarHBondContact OG-ND2 3.37Å; V118-N122 PolarHBondContact O-N 3.4Å; A119-N122 PolarHBondContact O-N 3Å; N122-T124 PolarHBondContact ND2-OG1 3.15Å
123G90.9Very high92Very high0 Ų020 Ų200%011%0.108CC..  trans92.2-13.7168.500000116A119 L120 F125 Y126 E127 S180A119-G123 PolarHBondContact O-N 3.25Å; L120-G123 PolarHBondContact O-N 3.07Å; G123-F125 PolarHBondContact O-N 3.06Å; G123-Y126 PolarHBondContact O-N 3.47Å; G123-E127 WeakPolarHBondContact O-CB 3.4Å; G123-E127 VanDerWaalsContact O-CG 3.24Å; G123-E127 WeakPolarHBondContact O-CG 3.41Å; G123-E127 PolarHBondContact O-N 3.3Å; G123-S180 WeakPolarHBondContact CA-OG 3.37Å
124T91.5Very high91.1Very high33 Ų3322.3 Ų22.320%0.20212%0.119CC..Hα-helixtrans-61.4-42.1-174.353.30000113.6S35 N122 C128S35-T124 PolarHBondContact OG-OG1 3.41Å; N122-T124 PolarHBondContact ND2-OG1 3.15Å; T124-C128 PolarHBondContact O-N 2.87Å
125F92.6Very high90.3Very high0 Ų024.3 Ų24.30%013%0.13CC..Hα-helixtrans-69.5-38.1177.9-52.8-29.8000112F34 F39 F55 L56 W115 A119 G123 A129F34-F125 HydrophobicContact CB-CZ 4.43Å; F39-F125 HydrophobicContact CB-CD1 4.44Å; F39-F125 HydrophobicContact CB-CE1 3.76Å; F39-F125 AromaticContact CD1-CD1 3.89Å; F39-F125 HydrophobicContact CD1-CD1 3.89Å; F39-F125 HydrophobicContact CD1-CE1 4Å; F39-F125 AromaticContact CD2-CD1 3.48Å; F39-F125 HydrophobicContact CD2-CD1 3.48Å; F39-F125 VanDerWaalsContact CD2-CD1 3.48Å; F39-F125 AromaticContact CD2-CE1 3.56Å; F39-F125 HydrophobicContact CD2-CE1 3.56Å; F39-F125 AromaticContact CE1-CD1 3.93Å; F39-F125 HydrophobicContact CE1-CD1 3.93Å; F39-F125 AromaticContact CE2-CD1 3.53Å; F39-F125 HydrophobicContact CE2-CD1 3.53Å; F39-F125 HydrophobicContact CE2-CE1 4.12Å; F39-F125 HydrophobicContact CE2-CG 4.48Å; F39-F125 AromaticContact CG-CD1 3.66Å; F39-F125 HydrophobicContact CG-CD1 3.66Å; F39-F125 AromaticContact CG-CE1 3.49Å; F39-F125 HydrophobicContact CG-CE1 3.49Å; F39-F125 VanDerWaalsContact CG-CE1 3.49Å; F39-F125 AromaticContact CZ-CD1 3.75Å; F39-F125 HydrophobicContact CZ-CD1 3.75Å; F55-F125 HydrophobicContact CB-CD1 3.96Å; F55-F125 HydrophobicContact CB-CD2 4.34Å; F55-F125 HydrophobicContact CB-CE1 4.14Å; F55-F125 HydrophobicContact CB-CG 4.08Å; F55-F125 HydrophobicContact CB-CZ 4.43Å; F55-F125 HydrophobicContact CD1-CE1 4.46Å; L56-F125 HydrophobicContact CB-CB 4.28Å; W115-F125 HydrophobicContact CH2-CE2 4.19Å; W115-F125 AromaticContact CZ2-CE2 3.8Å; W115-F125 HydrophobicContact CZ2-CE2 3.8Å; A119-F125 HydrophobicContact CB-CD2 3.96Å; A119-F125 HydrophobicContact CB-CE2 4.18Å; G123-F125 PolarHBondContact O-N 3.06Å; F125-A129 WeakPolarHBondContact O-CB 3.31Å; F125-A129 PolarHBondContact O-N 3.46Å
126Y93.4Very high89.1Confident36 Ų3628.1 Ų28.114%0.14115%0.152CC..Hα-helixtrans-68.6-44177.9-178.6-89000111.5L120 G123 C128 A129 I130 Q179 S180 L183L120-Y126 HydrophobicContact CD2-CD2 4.16Å; G123-Y126 PolarHBondContact O-N 3.47Å; Y126-C128 VanDerWaalsContact C-N 3.32Å; Y126-C128 PolarHBondContact O-N 3.47Å; Y126-A129 PolarHBondContact O-N 2.93Å; Y126-A129 VanDerWaalsContact O-N 3.14Å; Y126-I130 HydrophobicContact CD1-CG2 4.29Å; Y126-I130 HydrophobicContact CE1-CB 4.14Å; Y126-I130 HydrophobicContact CE1-CG1 4.36Å; Y126-I130 HydrophobicContact CE1-CG2 4.11Å; Y126-I130 WeakPolarHBondContact O-CB 3.42Å; Y126-I130 WeakPolarHBondContact O-CG2 3.4Å; Y126-I130 PolarHBondContact O-N 2.69Å; Y126-Q179 HydrophobicContact CE1-CB 4.06Å; Y126-Q179 PolarHBondContact OH-OE1 2.81Å; Y126-S180 VanDerWaalsContact CB-OG 3.27Å; Y126-S180 WeakPolarHBondContact CB-OG 3.21Å; Y126-L183 HydrophobicContact CD2-CD1 4.26Å; Y126-L183 HydrophobicContact CE2-CD1 3.46Å; Y126-L183 VanDerWaalsContact CE2-CD1 3.46Å
127E92.1Very high87.7Confident24 Ų2432.6 Ų32.611%0.11218%0.175CC..Hα-helixtrans-54.8-46.2175.6-75166.7-161.600111.6G123 S131 F176 R177G123-E127 WeakPolarHBondContact O-CB 3.4Å; G123-E127 VanDerWaalsContact O-CG 3.24Å; G123-E127 WeakPolarHBondContact O-CG 3.41Å; G123-E127 PolarHBondContact O-N 3.3Å; E127-S131 WeakPolarHBondContact O-CB 3.17Å; E127-S131 PolarHBondContact O-N 3.34Å; E127-F176 HydrophobicContact CB-CB 4.49Å; E127-F176 HydrophobicContact CG-CB 3.83Å; E127-R177 VanDerWaalsContact OE1-CB 3.27Å; E127-R177 WeakPolarHBondContact OE1-CB 3.43Å; E127-R177 WeakPolarHBondContact OE1-CG 3.48Å
128C92.3Very high86.7Confident1 Ų134.1 Ų34.11%0.00718%0.184CC..Hα-helixtrans-66.2-45.4175.2-171.50000111.5F39 C41 N48 T124 Y126 I130 S131F39-C128 HydrophobicContact CE1-CB 4.13Å; F39-C128 HydrophobicContact CZ-CB 3.58Å; C41-C128 HydrophobicContact CB-CB 3.84Å; C41-C128 WeakPolarHBondContact CB-SG 3.31Å; C41-C128 WeakPolarHBondContact SG-CB 3.4Å; C41-C128 CovalentContact SG-SG 2.05Å; C41-C128 PolarHBondContact SG-SG 3.14Å; N48-C128 WeakPolarHBondContact CB-O 3.47Å; T124-C128 PolarHBondContact O-N 2.87Å; Y126-C128 VanDerWaalsContact C-N 3.32Å; Y126-C128 PolarHBondContact O-N 3.47Å; C128-I130 PolarHBondContact O-N 2.94Å; C128-S131 PolarHBondContact O-N 2.97Å; C128-S131 PolarHBondContact O-OG 3.32Å
129A92.7Very high85.7Confident3 Ų332.9 Ų32.93%0.02518%0.176CC..Hα-helixtrans-61.3-49-177.800000112.6F49 M53 F125 Y126 S131 G132F49-A129 WeakPolarHBondContact CD2-O 3.44Å; M53-A129 HydrophobicContact CG-CB 4.13Å; M53-A129 HydrophobicContact SD-CB 4.16Å; F125-A129 WeakPolarHBondContact O-CB 3.31Å; F125-A129 PolarHBondContact O-N 3.46Å; Y126-A129 PolarHBondContact O-N 2.93Å; Y126-A129 VanDerWaalsContact O-N 3.14Å; A129-S131 VanDerWaalsContact C-N 3.26Å; A129-S131 PolarHBondContact O-N 3.35Å; A129-G132 PolarHBondContact O-N 2.94Å
130I90.5Very high84.8Confident11 Ų1137.6 Ų37.66%0.05620%0.202CC..Hα-helixtrans-68.6-27-176.3-160.659000112.3Y126 C128 G132 L133 V138 F142 F176Y126-I130 HydrophobicContact CD1-CG2 4.29Å; Y126-I130 HydrophobicContact CE1-CB 4.14Å; Y126-I130 HydrophobicContact CE1-CG1 4.36Å; Y126-I130 HydrophobicContact CE1-CG2 4.11Å; Y126-I130 WeakPolarHBondContact O-CB 3.42Å; Y126-I130 WeakPolarHBondContact O-CG2 3.4Å; Y126-I130 PolarHBondContact O-N 2.69Å; C128-I130 PolarHBondContact O-N 2.94Å; I130-G132 VanDerWaalsContact C-N 3.26Å; I130-G132 PolarHBondContact O-N 3.42Å; I130-L133 HydrophobicContact CD1-CB 4.26Å; I130-L133 HydrophobicContact CD1-CD1 3.81Å; I130-L133 HydrophobicContact CD1-CG 4.44Å; I130-L133 WeakPolarHBondContact O-CB 3.25Å; I130-L133 PolarHBondContact O-N 3.48Å; I130-V138 HydrophobicContact CD1-CG1 4.09Å; I130-F142 HydrophobicContact CD1-CE2 3.97Å; I130-F142 HydrophobicContact CD1-CZ 4.16Å; I130-F142 HydrophobicContact CG1-CE2 3.65Å; I130-F142 HydrophobicContact CG1-CZ 3.72Å; I130-F176 HydrophobicContact CG1-CE1 4.46Å; I130-F176 HydrophobicContact CG2-CB 4.11Å; I130-F176 HydrophobicContact CG2-CD1 3.58Å; I130-F176 HydrophobicContact CG2-CD2 3.92Å; I130-F176 HydrophobicContact CG2-CE1 3.84Å; I130-F176 HydrophobicContact CG2-CE2 4.17Å; I130-F176 HydrophobicContact CG2-CG 3.61Å; I130-F176 HydrophobicContact CG2-CZ 4.12Å
131S89.1Confident83.9Confident1 Ų142 Ų421%0.00723%0.225CC..Hα-helixtrans-67.8-23.517875.50000114.1N48 E127 C128 A129 A155N48-S131 PolarHBondContact ND2-OG 3.42Å; E127-S131 WeakPolarHBondContact O-CB 3.17Å; E127-S131 PolarHBondContact O-N 3.34Å; C128-S131 PolarHBondContact O-N 2.97Å; C128-S131 PolarHBondContact O-OG 3.32Å; A129-S131 VanDerWaalsContact C-N 3.26Å; A129-S131 PolarHBondContact O-N 3.35Å; S131-A155 WeakPolarHBondContact O-CA 3.48Å; S131-A155 PolarHBondContact O-N 3.29Å
132G86.8Confident83Confident7 Ų740.4 Ų40.47%0.07222%0.215CC..THydrogen-bonded Turntrans-102.113.8177.200000113.9A129 I130A129-G132 PolarHBondContact O-N 2.94Å; I130-G132 VanDerWaalsContact C-N 3.26Å; I130-G132 PolarHBondContact O-N 3.42Å
133L85.1Confident82.3Confident42 Ų4240.3 Ų40.322%0.2222%0.216CC..  trans-85.2120.8-175.6-152132.8000109.8F49 I130 D135 V138 V139F49-L133 HydrophobicContact CD2-CD1 3.78Å; F49-L133 HydrophobicContact CD2-CG 4.35Å; F49-L133 HydrophobicContact CE2-CD1 3.58Å; F49-L133 HydrophobicContact CE2-CG 4.45Å; I130-L133 HydrophobicContact CD1-CB 4.26Å; I130-L133 HydrophobicContact CD1-CD1 3.81Å; I130-L133 HydrophobicContact CD1-CG 4.44Å; I130-L133 WeakPolarHBondContact O-CB 3.25Å; I130-L133 PolarHBondContact O-N 3.48Å; L133-D135 HydrophobicContact CD2-CB 3.46Å; L133-D135 VanDerWaalsContact CD2-CB 3.46Å; L133-V138 HydrophobicContact CD2-CB 4.02Å; L133-V138 HydrophobicContact CD2-CG1 4.07Å; L133-V138 HydrophobicContact CD2-CG2 4.35Å; L133-V139 WeakPolarHBondContact O-CG2 3.1Å
134D74.3Confident81.2Confident97 Ų9747.9 Ų47.952%0.51925%0.249SC..  trans-97.424.6-175.5-162.916.1000113.5N136 R151D134-N136 PolarHBondContact O-N 3.41Å; D134-R151 IonicContact OD1-CZ 2.71Å; D134-R151 IonicContact OD1-NE 2.7Å; D134-R151 IonicContact OD1-NH2 2.74Å; D134-R151 PolarHBondContact OD1-NH2 3.34Å
135D76.1Confident79.8Confident79 Ų7954.1 Ų54.142%0.42228%0.281SS..  trans-82.1115.4176.7-169.8-53.6000110.3L133 L137 V138 V139L133-D135 HydrophobicContact CD2-CB 3.46Å; L133-D135 VanDerWaalsContact CD2-CB 3.46Å; D135-L137 PolarHBondContact O-N 2.91Å; D135-L137 VanDerWaalsContact O-N 3.15Å; D135-L137 VanDerWaalsContact OD1-CB 3.3Å; D135-L137 WeakPolarHBondContact OD1-CB 3.4Å; D135-L137 PolarHBondContact OD1-N 3.07Å; D135-V138 HydrophobicContact CB-CB 4.16Å; D135-V138 HydrophobicContact CB-CG2 4.14Å; D135-V138 PolarHBondContact O-N 3.06Å; D135-V138 PolarHBondContact OD1-N 3.33Å; D135-V139 WeakPolarHBondContact O-CB 3.2Å; D135-V139 WeakPolarHBondContact O-CG2 3.34Å; D135-V139 PolarHBondContact O-N 3.02Å
136N69.4Low78.3Confident90 Ų9058.9 Ų58.948%0.48130%0.301SS..Hα-helixtrans-51.6-38.5179.6-71.9-47.5000113.1D134 N140 R151D134-N136 PolarHBondContact O-N 3.41Å; N136-N140 WeakPolarHBondContact O-CB 3.45Å; N136-N140 PolarHBondContact O-N 3.09Å; N136-N140 VanDerWaalsContact O-N 3.12Å; N136-N140 PolarHBondContact O-ND2 3.14Å; N136-R151 PolarHBondContact OD1-NH1 3.02Å; N136-R151 PolarHBondContact OD1-NH2 2.86Å
137L66.1Low77.1Confident134 Ų13461.7 Ų61.770%0.70232%0.322SS*.Hα-helixtrans-73.5-41.5-175.8-170122.6000111.3D135 L141D135-L137 PolarHBondContact O-N 2.91Å; D135-L137 VanDerWaalsContact O-N 3.15Å; D135-L137 VanDerWaalsContact OD1-CB 3.3Å; D135-L137 WeakPolarHBondContact OD1-CB 3.4Å; D135-L137 PolarHBondContact OD1-N 3.07Å; L137-L141 PolarHBondContact O-N 3.34Å
138V72.6Confident76.1Confident46 Ų4667.3 Ų67.328%0.27935%0.353SS..Hα-helixtrans-74.9-43.3-178.8179.60000110.7I130 L133 D135 N140 L141 F142I130-V138 HydrophobicContact CD1-CG1 4.09Å; L133-V138 HydrophobicContact CD2-CB 4.02Å; L133-V138 HydrophobicContact CD2-CG1 4.07Å; L133-V138 HydrophobicContact CD2-CG2 4.35Å; D135-V138 HydrophobicContact CB-CB 4.16Å; D135-V138 HydrophobicContact CB-CG2 4.14Å; D135-V138 PolarHBondContact O-N 3.06Å; D135-V138 PolarHBondContact OD1-N 3.33Å; V138-N140 PolarHBondContact O-N 2.85Å; V138-L141 VanDerWaalsContact O-CB 3.23Å; V138-L141 WeakPolarHBondContact O-CB 3.35Å; V138-L141 PolarHBondContact O-N 3.34Å; V138-L141 VanDerWaalsContact O-N 3.14Å; V138-F142 HydrophobicContact CG1-CD2 4.28Å; V138-F142 HydrophobicContact CG1-CE2 3.49Å; V138-F142 VanDerWaalsContact CG1-CE2 3.49Å; V138-F142 HydrophobicContact CG1-CZ 4.15Å; V138-F142 WeakPolarHBondContact O-CD2 3.42Å
139V72.8Confident75.4Confident4 Ų471.8 Ų71.82%0.02437%0.373CS..Hα-helixtrans-64-40.5177.7173.80000111.9L133 D135 L141 F142 C143 R151L133-V139 WeakPolarHBondContact O-CG2 3.1Å; D135-V139 WeakPolarHBondContact O-CB 3.2Å; D135-V139 WeakPolarHBondContact O-CG2 3.34Å; D135-V139 PolarHBondContact O-N 3.02Å; V139-L141 PolarHBondContact O-N 3.08Å; V139-F142 PolarHBondContact O-N 3.21Å; V139-F142 VanDerWaalsContact O-N 3.11Å; V139-C143 PolarHBondContact O-N 2.86Å; V139-R151 HydrophobicContact CG1-CB 4.23Å; V139-R151 HydrophobicContact CG1-CG 3.96Å
140N73.4Confident74.8Confident99 Ų9971.8 Ų71.853%0.52937%0.373SS..Hα-helixtrans-64.1-24.1176.3-77.8-28000113N136 V138 K144N136-N140 WeakPolarHBondContact O-CB 3.45Å; N136-N140 PolarHBondContact O-N 3.09Å; N136-N140 VanDerWaalsContact O-N 3.12Å; N136-N140 PolarHBondContact O-ND2 3.14Å; V138-N140 PolarHBondContact O-N 2.85Å; N140-K144 WeakPolarHBondContact O-CA 3.41Å; N140-K144 PolarHBondContact O-N 3.1Å
141L75.7Confident74.2Confident110 Ų11074.4 Ų74.458%0.57638%0.382SS*.Hα-helixtrans-70.2-36175-139.6101.8000111.5L137 V138 V139L137-L141 PolarHBondContact O-N 3.34Å; V138-L141 VanDerWaalsContact O-CB 3.23Å; V138-L141 WeakPolarHBondContact O-CB 3.35Å; V138-L141 PolarHBondContact O-N 3.34Å; V138-L141 VanDerWaalsContact O-N 3.14Å; V139-L141 PolarHBondContact O-N 3.08Å
142F75.4Confident73.8Confident18 Ų1879 Ų798%0.07941%0.407CS..Hα-helixtrans-82-41.1179.7-59.8-57.1000112.7I130 V138 V139 L172 M175 F176 Q179I130-F142 HydrophobicContact CD1-CE2 3.97Å; I130-F142 HydrophobicContact CD1-CZ 4.16Å; I130-F142 HydrophobicContact CG1-CE2 3.65Å; I130-F142 HydrophobicContact CG1-CZ 3.72Å; V138-F142 HydrophobicContact CG1-CD2 4.28Å; V138-F142 HydrophobicContact CG1-CE2 3.49Å; V138-F142 VanDerWaalsContact CG1-CE2 3.49Å; V138-F142 HydrophobicContact CG1-CZ 4.15Å; V138-F142 WeakPolarHBondContact O-CD2 3.42Å; V139-F142 PolarHBondContact O-N 3.21Å; V139-F142 VanDerWaalsContact O-N 3.11Å; F142-L172 HydrophobicContact CB-CD2 4.43Å; F142-M175 HydrophobicContact CD1-CE 3.59Å; F142-M175 HydrophobicContact CD1-CG 4.49Å; F142-M175 HydrophobicContact CD1-SD 3.83Å; F142-M175 HydrophobicContact CE1-CE 3.91Å; F142-M175 HydrophobicContact CE1-SD 4.41Å; F142-F176 HydrophobicContact CD1-CD1 4.23Å; F142-F176 AromaticContact CD1-CE1 3.72Å; F142-F176 HydrophobicContact CD1-CE1 3.72Å; F142-F176 HydrophobicContact CD2-CE1 4.07Å; F142-F176 AromaticContact CE1-CD1 3.95Å; F142-F176 HydrophobicContact CE1-CD1 3.95Å; F142-F176 AromaticContact CE1-CE1 3.79Å; F142-F176 HydrophobicContact CE1-CE1 3.79Å; F142-F176 HydrophobicContact CE2-CE1 4.11Å; F142-F176 AromaticContact CG-CE1 3.88Å; F142-F176 HydrophobicContact CG-CE1 3.88Å; F142-F176 HydrophobicContact CZ-CD1 4.26Å; F142-F176 HydrophobicContact CZ-CE1 4.01Å; F142-Q179 VanDerWaalsContact CE1-OE1 3.25Å; F142-Q179 VanDerWaalsContact CZ-OE1 3.24Å
143C76.3Confident73.6Confident11 Ų1180 Ų807%0.07441%0.41CS..SBendtrans-97.830-178.9-67.80000112.4V139 N145 K146 C150V139-C143 PolarHBondContact O-N 2.86Å; C143-N145 PolarHBondContact O-N 3.22Å; C143-N145 VanDerWaalsContact O-N 3.16Å; C143-K146 HydrophobicContact CB-CB 4.19Å; C143-K146 WeakPolarHBondContact O-CB 3.5Å; C143-K146 PolarHBondContact O-N 2.89Å; C143-C150 HydrophobicContact CB-CB 3.76Å; C143-C150 WeakPolarHBondContact CB-SG 3.38Å; C143-C150 VanDerWaalsContact SG-C 3.57Å; C143-C150 WeakPolarHBondContact SG-CB 3.39Å; C143-C150 CovalentContact SG-SG 2.05Å; C143-C150 PolarHBondContact SG-SG 3.31Å
144K67.6Low73.6Confident159 Ų15978.2 Ų78.269%0.69140%0.4SS*.THydrogen-bonded Turntrans-58.6121.7-177.5-164.3174.7-177.4178.70110.2N140 K146N140-K144 WeakPolarHBondContact O-CA 3.41Å; N140-K144 PolarHBondContact O-N 3.1Å; K144-K146 VanDerWaalsContact C-N 3.32Å; K144-K146 PolarHBondContact O-N 2.94Å
145N61.8Low74.2Confident165 Ų16573.8 Ų73.888%0.88238%0.377SS*.THydrogen-bonded Turntrans65.919.7-174.6-56.5-21.5000115.8C143C143-N145 PolarHBondContact O-N 3.22Å; C143-N145 VanDerWaalsContact O-N 3.16Å
146K61.9Low74.7Confident99 Ų9972.2 Ų72.243%0.4337%0.369SS..  trans-105.3157.8176.3-62.7-89.8171.3158.90111.4C143 K144 C150 E168C143-K146 HydrophobicContact CB-CB 4.19Å; C143-K146 WeakPolarHBondContact O-CB 3.5Å; C143-K146 PolarHBondContact O-N 2.89Å; K144-K146 VanDerWaalsContact C-N 3.32Å; K144-K146 PolarHBondContact O-N 2.94Å; K146-C150 HydrophobicContact CB-CB 3.65Å; K146-C150 HydrophobicContact CG-CB 4.46Å; K146-E168 VanDerWaalsContact NZ-CD 3.3Å; K146-E168 IonicContact NZ-OE1 3.38Å; K146-E168 PolarHBondContact NZ-OE1 3.05Å
147T66.4Low75.6Confident95 Ų9568 Ų6858%0.58335%0.346SS*.  trans-67162.2179.346.60000112.2Q149 C150T147-Q149 PolarHBondContact O-N 3.07Å; T147-Q149 WeakPolarHBondContact OG1-CB 3.39Å; T147-C150 WeakPolarHBondContact O-CB 3.48Å; T147-C150 PolarHBondContact O-N 3.45Å
148L72.2Confident76.6Confident142 Ų14263.3 Ų63.374%0.74332%0.324SS*.Hα-helixtrans-44.5-30.7169.4-108.9116.8000112.6C150 R151 D152L148-C150 VanDerWaalsContact C-N 3.28Å; L148-C150 PolarHBondContact O-N 2.93Å; L148-R151 WeakPolarHBondContact O-CB 3.41Å; L148-R151 PolarHBondContact O-N 3.3Å; L148-R151 VanDerWaalsContact O-N 3.12Å; L148-D152 PolarHBondContact O-N 3.44Å
149Q77.9Confident77.2Confident95 Ų9563.5 Ų63.544%0.44433%0.326SS..Hα-helixtrans-58.3-31.1175.9-162.4177-1.300114.3T147 R151 Q153T147-Q149 PolarHBondContact O-N 3.07Å; T147-Q149 WeakPolarHBondContact OG1-CB 3.39Å; Q149-R151 VanDerWaalsContact C-N 3.34Å; Q149-Q153 HydrophobicContact CG-CG 4.18Å; Q149-Q153 WeakPolarHBondContact O-CB 3.26Å; Q149-Q153 WeakPolarHBondContact O-CG 3.26Å; Q149-Q153 PolarHBondContact O-N 3.15Å; Q149-Q153 VanDerWaalsContact O-N 3.15Å
150C79.6Confident77.6Confident3 Ų365.5 Ų65.52%0.0235%0.348CS..Hα-helixtrans-66.2-38.2175.9-179.70000111.7C143 K146 T147 L148 L154C143-C150 HydrophobicContact CB-CB 3.76Å; C143-C150 WeakPolarHBondContact CB-SG 3.38Å; C143-C150 VanDerWaalsContact SG-C 3.57Å; C143-C150 WeakPolarHBondContact SG-CB 3.39Å; C143-C150 CovalentContact SG-SG 2.05Å; C143-C150 PolarHBondContact SG-SG 3.31Å; K146-C150 HydrophobicContact CB-CB 3.65Å; K146-C150 HydrophobicContact CG-CB 4.46Å; T147-C150 WeakPolarHBondContact O-CB 3.48Å; T147-C150 PolarHBondContact O-N 3.45Å; L148-C150 VanDerWaalsContact C-N 3.28Å; L148-C150 PolarHBondContact O-N 2.93Å; C150-L154 WeakPolarHBondContact O-CB 3.44Å; C150-L154 PolarHBondContact O-N 3.05Å; C150-L154 VanDerWaalsContact O-N 3.14Å
151R78.3Confident77.9Confident67 Ų6766.6 Ų66.625%0.25335%0.353SS..Hα-helixtrans-68.5-50.7178.5179.7172.8-171.2161.44.5111.1D134 N136 V139 L148 Q149 Q153 L154D134-R151 IonicContact OD1-CZ 2.71Å; D134-R151 IonicContact OD1-NE 2.7Å; D134-R151 IonicContact OD1-NH2 2.74Å; D134-R151 PolarHBondContact OD1-NH2 3.34Å; N136-R151 PolarHBondContact OD1-NH1 3.02Å; N136-R151 PolarHBondContact OD1-NH2 2.86Å; V139-R151 HydrophobicContact CG1-CB 4.23Å; V139-R151 HydrophobicContact CG1-CG 3.96Å; L148-R151 WeakPolarHBondContact O-CB 3.41Å; L148-R151 PolarHBondContact O-N 3.3Å; L148-R151 VanDerWaalsContact O-N 3.12Å; Q149-R151 VanDerWaalsContact C-N 3.34Å; R151-Q153 PolarHBondContact O-N 3.02Å; R151-L154 WeakPolarHBondContact O-CB 3.26Å; R151-L154 PolarHBondContact O-N 3.09Å
152D79.5Confident78.1Confident98 Ų9861.9 Ų61.952%0.52433%0.33SS..Hα-helixtrans-65.8-24.8-178-64.8-16.1000112.9L148L148-D152 PolarHBondContact O-N 3.44Å
153Q84Confident78.4Confident28 Ų2868.9 Ų68.913%0.13136%0.36CS..Hα-helixtrans-98.9-6.1-177.2-62.4-66.6-69.100113.5Q149 R151 A155 L156 V157 L164Q149-Q153 HydrophobicContact CG-CG 4.18Å; Q149-Q153 WeakPolarHBondContact O-CB 3.26Å; Q149-Q153 WeakPolarHBondContact O-CG 3.26Å; Q149-Q153 PolarHBondContact O-N 3.15Å; Q149-Q153 VanDerWaalsContact O-N 3.15Å; R151-Q153 PolarHBondContact O-N 3.02Å; Q153-A155 VanDerWaalsContact C-N 3.31Å; Q153-A155 PolarHBondContact O-N 3.18Å; Q153-L156 WeakPolarHBondContact O-CB 3.32Å; Q153-L156 PolarHBondContact O-N 3.37Å; Q153-V157 PolarHBondContact O-N 2.93Å; Q153-L164 HydrophobicContact CB-CD1 4.22Å; Q153-L164 HydrophobicContact CB-CG 4.35Å
154L84.9Confident78.7Confident4 Ų469.2 Ų69.22%0.02136%0.361CS..G310 helixtrans-59.6-42-174.4-158.764.8000112C150 R151 L156 V157 L172 F176C150-L154 WeakPolarHBondContact O-CB 3.44Å; C150-L154 PolarHBondContact O-N 3.05Å; C150-L154 VanDerWaalsContact O-N 3.14Å; R151-L154 WeakPolarHBondContact O-CB 3.26Å; R151-L154 PolarHBondContact O-N 3.09Å; L154-L156 PolarHBondContact O-N 3.44Å; L154-V157 WeakPolarHBondContact O-CB 3.23Å; L154-V157 PolarHBondContact O-N 3.33Å; L154-V157 VanDerWaalsContact O-N 3.17Å; L154-L172 HydrophobicContact CD1-CD1 4.16Å; L154-L172 HydrophobicContact CD1-CD2 4.43Å; L154-F176 HydrophobicContact CD1-CE2 4.38Å; L154-F176 HydrophobicContact CD1-CZ 3.75Å; L154-F176 HydrophobicContact CD2-CZ 4.34Å; L154-F176 HydrophobicContact CG-CZ 4.1Å
155A86.2Confident79.5Confident3 Ų364.4 Ų64.43%0.02535%0.347CS..G310 helixtrans-64.1-20178.800000113.9C43 H45 N48 S131 Q153C43-A155 WeakPolarHBondContact CA-O 3.17Å; C43-A155 WeakPolarHBondContact CB-O 3.3Å; C43-A155 PolarHBondContact SG-O 2.87Å; H45-A155 HydrophobicContact CB-CB 4.06Å; N48-A155 WeakPolarHBondContact ND2-CA 3.18Å; N48-A155 PolarHBondContact ND2-O 2.99Å; S131-A155 WeakPolarHBondContact O-CA 3.48Å; S131-A155 PolarHBondContact O-N 3.29Å; Q153-A155 VanDerWaalsContact C-N 3.31Å; Q153-A155 PolarHBondContact O-N 3.18Å
156L87.8Confident80.5Confident47 Ų4761.4 Ų61.425%0.24634%0.34CS..G310 helixtrans-91.9-15.5-179.9-66157.5000112.6C43 Q153 L154 C159 G160 N161C43-L156 HydrophobicContact CB-CD2 4.41Å; Q153-L156 WeakPolarHBondContact O-CB 3.32Å; Q153-L156 PolarHBondContact O-N 3.37Å; L154-L156 PolarHBondContact O-N 3.44Å; L156-C159 PolarHBondContact O-N 3.4Å; L156-G160 PolarHBondContact O-N 3.38Å; L156-N161 HydrophobicContact CD2-CB 4.36Å; L156-N161 PolarHBondContact O-N 3.4Å
157V86.8Confident81.6Confident0 Ų060.7 Ų60.70%034%0.34CS..G310 helixtrans-58.9-43.9-176.7175.70000112.5Q153 L154 C159 G160 L164 Q169 L172 L173Q153-V157 PolarHBondContact O-N 2.93Å; L154-V157 WeakPolarHBondContact O-CB 3.23Å; L154-V157 PolarHBondContact O-N 3.33Å; L154-V157 VanDerWaalsContact O-N 3.17Å; V157-C159 PolarHBondContact O-N 3.49Å; V157-C159 VanDerWaalsContact O-N 3.15Å; V157-G160 PolarHBondContact O-N 2.93Å; V157-G160 VanDerWaalsContact O-N 3.09Å; V157-L164 HydrophobicContact CG2-CD1 3.98Å; V157-Q169 HydrophobicContact CG1-CB 4.46Å; V157-L172 HydrophobicContact CG1-CB 4.24Å; V157-L172 HydrophobicContact CG2-CD1 4.22Å; V157-L173 HydrophobicContact CG1-CD1 4.09Å; V157-L173 HydrophobicContact CG1-CG 3.87Å
158P86.8Confident82.4Confident37 Ų3758.7 Ų58.724%0.2432%0.324CS..G310 helixtrans-61.5-23.1178.4-23.835000114.6C41C41-P158 HydrophobicContact CB-CB 4.32Å
159C86.3Confident83Confident50 Ų5053 Ų5334%0.33829%0.294SS..G310 helixtrans-96.5-4.7177.9-66.10000114.1C41 C43 L156 V157 N161C41-C159 PolarHBondContact O-SG 3.18Å; C41-C159 VanDerWaalsContact O-SG 3.32Å; C43-C159 HydrophobicContact CB-CB 3.77Å; C43-C159 WeakPolarHBondContact CB-SG 3.28Å; C43-C159 WeakPolarHBondContact SG-CB 3.27Å; C43-C159 PolarHBondContact SG-N 3.39Å; C43-C159 VanDerWaalsContact SG-N 3.38Å; C43-C159 CovalentContact SG-SG 1.99Å; C43-C159 PolarHBondContact SG-SG 2.96Å; L156-C159 PolarHBondContact O-N 3.4Å; V157-C159 PolarHBondContact O-N 3.49Å; V157-C159 VanDerWaalsContact O-N 3.15Å; C159-N161 PolarHBondContact O-N 3.48Å
160G81.4Confident83.4Confident46 Ų4653.7 Ų53.747%0.47430%0.298SS..THydrogen-bonded Turntrans70.210.9-175.600000115L156 V157L156-G160 PolarHBondContact O-N 3.38Å; V157-G160 PolarHBondContact O-N 2.93Å; V157-G160 VanDerWaalsContact O-N 3.09Å
161N78.9Confident83.8Confident121 Ų12159 Ų5965%0.64732%0.321SS*.  trans-95.111.5-177.4-72.1-24.9000113.4L156 C159L156-N161 HydrophobicContact CD2-CB 4.36Å; L156-N161 PolarHBondContact O-N 3.4Å; C159-N161 PolarHBondContact O-N 3.48Å
162S81.1Confident84.3Confident11 Ų1156.6 Ų56.68%0.07731%0.313CS..  trans-80.1150-177.875.70000111.8L164 Q169S162-L164 PolarHBondContact O-N 3.13Å; S162-Q169 PolarHBondContact O-NE2 3.08Å; S162-Q169 WeakPolarHBondContact OG-CG 3.44Å; S162-Q169 PolarHBondContact OG-NE2 2.96Å; S162-Q169 PolarHBondContact OG-OE1 2.97Å
163K81.8Confident84.7Confident166 Ų16654.3 Ų54.372%0.72230%0.301SS*.SBendtrans-75.65.1174.9-64.4179.4-179.1176.90114
164L81.8Confident85Confident18 Ų1857.9 Ų57.99%0.09432%0.319CS..SBendtrans-75.1157.8178-70.1163.9000110.5Q153 V157 S162 E168 Q169 L172Q153-L164 HydrophobicContact CB-CD1 4.22Å; Q153-L164 HydrophobicContact CB-CG 4.35Å; V157-L164 HydrophobicContact CG2-CD1 3.98Å; S162-L164 PolarHBondContact O-N 3.13Å; L164-E168 HydrophobicContact CB-CB 4.33Å; L164-Q169 HydrophobicContact CB-CG 3.82Å; L164-Q169 PolarHBondContact O-NE2 3.31Å; L164-L172 HydrophobicContact CD1-CD1 4.03Å
165S84.3Confident85.2Confident57 Ų5761 Ų6140%0.39933%0.334SS..  trans-63.3148.4174.5920000110.2D167 E168 Q169S165-D167 PolarHBondContact O-N 3.32Å; S165-D167 VanDerWaalsContact O-N 3.14Å; S165-E168 PolarHBondContact N-OE2 3.14Å; S165-E168 WeakPolarHBondContact O-CB 3.37Å; S165-E168 PolarHBondContact O-N 3.02Å; S165-E168 WeakPolarHBondContact OG-CG 3.29Å; S165-E168 PolarHBondContact OG-N 3.4Å; S165-Q169 WeakPolarHBondContact O-CG 3.2Å; S165-Q169 PolarHBondContact O-N 3.39Å
166S83.8Confident85.4Confident103 Ų10360.9 Ų60.972%0.7233%0.333SS*.Hα-helixtrans-57.2-32.3-179.4-530000112.7M170S166-M170 WeakPolarHBondContact O-CB 3.47Å; S166-M170 PolarHBondContact O-N 2.84Å
167D84.6Confident85.6Confident83 Ų8363.9 Ų63.944%0.44434%0.341SS..Hα-helixtrans-67.6-39.3175.5178.662.1000112.1S165 K171S165-D167 PolarHBondContact O-N 3.32Å; S165-D167 VanDerWaalsContact O-N 3.14Å; D167-K171 WeakPolarHBondContact O-CB 3.46Å; D167-K171 VanDerWaalsContact O-CG 3.26Å; D167-K171 WeakPolarHBondContact O-CG 3.39Å; D167-K171 PolarHBondContact O-N 3.38Å; D167-K171 WeakPolarHBondContact OD1-CE 3.5Å; D167-K171 IonicContact OD1-NZ 3.6Å; D167-K171 VanDerWaalsContact OD2-CE 3.28Å; D167-K171 WeakPolarHBondContact OD2-CE 3.28Å; D167-K171 IonicContact OD2-NZ 3.63Å; D167-K171 PolarHBondContact OD2-NZ 3.19Å
168E83.6Confident86Confident53 Ų5366 Ų6625%0.24836%0.358CS..Hα-helixtrans-68-42.1176.4-68171.9142.800112K146 L164 S165 K171 L172K146-E168 VanDerWaalsContact NZ-CD 3.3Å; K146-E168 IonicContact NZ-OE1 3.38Å; K146-E168 PolarHBondContact NZ-OE1 3.05Å; L164-E168 HydrophobicContact CB-CB 4.33Å; S165-E168 PolarHBondContact N-OE2 3.14Å; S165-E168 WeakPolarHBondContact O-CB 3.37Å; S165-E168 PolarHBondContact O-N 3.02Å; S165-E168 WeakPolarHBondContact OG-CG 3.29Å; S165-E168 PolarHBondContact OG-N 3.4Å; E168-K171 PolarHBondContact O-N 3.09Å; E168-L172 WeakPolarHBondContact O-CG 3.09Å; E168-L172 PolarHBondContact O-N 2.98Å
169Q84.4Confident86.3Confident22 Ų2266.5 Ų66.510%0.10336%0.357CS..Hα-helixtrans-60.1-47.7176.3-65.2-17660.300111.1V157 S162 L164 S165 K171 L172 L173V157-Q169 HydrophobicContact CG1-CB 4.46Å; S162-Q169 PolarHBondContact O-NE2 3.08Å; S162-Q169 WeakPolarHBondContact OG-CG 3.44Å; S162-Q169 PolarHBondContact OG-NE2 2.96Å; S162-Q169 PolarHBondContact OG-OE1 2.97Å; L164-Q169 HydrophobicContact CB-CG 3.82Å; L164-Q169 PolarHBondContact O-NE2 3.31Å; S165-Q169 WeakPolarHBondContact O-CG 3.2Å; S165-Q169 PolarHBondContact O-N 3.39Å; Q169-K171 VanDerWaalsContact C-N 3.33Å; Q169-K171 PolarHBondContact O-N 3.34Å; Q169-L172 PolarHBondContact O-N 2.06Å; Q169-L173 PolarHBondContact O-N 3.38Å
170M86.6Confident86.7Confident110 Ų11064.1 Ų64.154%0.54234%0.341SS..Hα-helixtrans-63.2-39.8179.5-162.7172.881.700111.7S166 M174S166-M170 WeakPolarHBondContact O-CB 3.47Å; S166-M170 PolarHBondContact O-N 2.84Å; M170-M174 HydrophobicContact CE-CE 4.01Å; M170-M174 HydrophobicContact CG-CE 4.1Å; M170-M174 WeakPolarHBondContact O-CB 3.28Å; M170-M174 VanDerWaalsContact O-CG 3.31Å; M170-M174 WeakPolarHBondContact O-CG 3.37Å; M170-M174 PolarHBondContact O-N 3.48Å
171K87.7Confident87.4Confident115 Ų11565.4 Ų65.450%0.534%0.335SS..Hα-helixtrans-62.2-44.4175.4-76.7169.3179.2168.10112.5D167 E168 Q169 M174 M175D167-K171 WeakPolarHBondContact O-CB 3.46Å; D167-K171 VanDerWaalsContact O-CG 3.26Å; D167-K171 WeakPolarHBondContact O-CG 3.39Å; D167-K171 PolarHBondContact O-N 3.38Å; D167-K171 WeakPolarHBondContact OD1-CE 3.5Å; D167-K171 IonicContact OD1-NZ 3.6Å; D167-K171 VanDerWaalsContact OD2-CE 3.28Å; D167-K171 WeakPolarHBondContact OD2-CE 3.28Å; D167-K171 IonicContact OD2-NZ 3.63Å; D167-K171 PolarHBondContact OD2-NZ 3.19Å; E168-K171 PolarHBondContact O-N 3.09Å; Q169-K171 VanDerWaalsContact C-N 3.33Å; Q169-K171 PolarHBondContact O-N 3.34Å; K171-M174 PolarHBondContact O-N 3.01Å; K171-M175 WeakPolarHBondContact O-CB 2.97Å; K171-M175 PolarHBondContact O-N 3.44Å
172L87.9Confident88.2Confident17 Ų1764.8 Ų64.89%0.08933%0.331CS..Hα-helixtrans-64.4-46.2177.7-74.5168.6000111.7F142 L154 V157 L164 E168 Q169 M174 M175 F176F142-L172 HydrophobicContact CB-CD2 4.43Å; L154-L172 HydrophobicContact CD1-CD1 4.16Å; L154-L172 HydrophobicContact CD1-CD2 4.43Å; V157-L172 HydrophobicContact CG1-CB 4.24Å; V157-L172 HydrophobicContact CG2-CD1 4.22Å; L164-L172 HydrophobicContact CD1-CD1 4.03Å; E168-L172 WeakPolarHBondContact O-CG 3.09Å; E168-L172 PolarHBondContact O-N 2.98Å; Q169-L172 PolarHBondContact O-N 2.06Å; L172-M174 PolarHBondContact O-N 3.03Å; L172-M175 WeakPolarHBondContact O-CB 3.41Å; L172-M175 PolarHBondContact O-N 3.02Å; L172-M175 VanDerWaalsContact O-N 3.16Å; L172-F176 WeakPolarHBondContact O-CG 3.26Å; L172-F176 PolarHBondContact O-N 3.01Å
173L88.3Confident88.9Confident50 Ų5067.9 Ų67.926%0.26235%0.346SS..Hα-helixtrans-58.7-47175.6-83.2155.4000112.1V157 Q169 M175 F176 R177V157-L173 HydrophobicContact CG1-CD1 4.09Å; V157-L173 HydrophobicContact CG1-CG 3.87Å; Q169-L173 PolarHBondContact O-N 3.38Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 3.2Å; L173-F176 PolarHBondContact O-N 3.1Å; L173-R177 WeakPolarHBondContact O-CB 3.46Å; L173-R177 PolarHBondContact O-N 3.07Å
174M89.5Confident89.5Confident103 Ų10360 Ų6051%0.50731%0.312SS..Hα-helixtrans-60.9-38176.1-74.4-169.8-68.600112M170 K171 L172 A178M170-M174 HydrophobicContact CE-CE 4.01Å; M170-M174 HydrophobicContact CG-CE 4.1Å; M170-M174 WeakPolarHBondContact O-CB 3.28Å; M170-M174 VanDerWaalsContact O-CG 3.31Å; M170-M174 WeakPolarHBondContact O-CG 3.37Å; M170-M174 PolarHBondContact O-N 3.48Å; K171-M174 PolarHBondContact O-N 3.01Å; L172-M174 PolarHBondContact O-N 3.03Å; M174-A178 VanDerWaalsContact O-CB 3.27Å; M174-A178 WeakPolarHBondContact O-CB 3.45Å; M174-A178 PolarHBondContact O-N 3.23Å
175M89.8Confident90.2Very high69 Ų6966.1 Ų66.134%0.3433%0.334SS..Hα-helixtrans-66-47176.7-175.2175.4179.700112F142 K171 L172 L173 R177 A178 Q179F142-M175 HydrophobicContact CD1-CE 3.59Å; F142-M175 HydrophobicContact CD1-CG 4.49Å; F142-M175 HydrophobicContact CD1-SD 3.83Å; F142-M175 HydrophobicContact CE1-CE 3.91Å; F142-M175 HydrophobicContact CE1-SD 4.41Å; K171-M175 WeakPolarHBondContact O-CB 2.97Å; K171-M175 PolarHBondContact O-N 3.44Å; L172-M175 WeakPolarHBondContact O-CB 3.41Å; L172-M175 PolarHBondContact O-N 3.02Å; L172-M175 VanDerWaalsContact O-N 3.16Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 3.2Å; M175-R177 VanDerWaalsContact C-N 3.33Å; M175-R177 PolarHBondContact O-N 3.24Å; M175-A178 PolarHBondContact O-N 3.02Å; M175-Q179 WeakPolarHBondContact O-CG 3.48Å; M175-Q179 PolarHBondContact O-N 3.38Å
176F90.8Very high90.8Very high0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-60.3-44.4176.3-64.2-25000111.8E127 I130 F142 L154 L172 L173 Q179 S180E127-F176 HydrophobicContact CB-CB 4.49Å; E127-F176 HydrophobicContact CG-CB 3.83Å; I130-F176 HydrophobicContact CG1-CE1 4.46Å; I130-F176 HydrophobicContact CG2-CB 4.11Å; I130-F176 HydrophobicContact CG2-CD1 3.58Å; I130-F176 HydrophobicContact CG2-CD2 3.92Å; I130-F176 HydrophobicContact CG2-CE1 3.84Å; I130-F176 HydrophobicContact CG2-CE2 4.17Å; I130-F176 HydrophobicContact CG2-CG 3.61Å; I130-F176 HydrophobicContact CG2-CZ 4.12Å; F142-F176 HydrophobicContact CD1-CD1 4.23Å; F142-F176 AromaticContact CD1-CE1 3.72Å; F142-F176 HydrophobicContact CD1-CE1 3.72Å; F142-F176 HydrophobicContact CD2-CE1 4.07Å; F142-F176 AromaticContact CE1-CD1 3.95Å; F142-F176 HydrophobicContact CE1-CD1 3.95Å; F142-F176 AromaticContact CE1-CE1 3.79Å; F142-F176 HydrophobicContact CE1-CE1 3.79Å; F142-F176 HydrophobicContact CE2-CE1 4.11Å; F142-F176 AromaticContact CG-CE1 3.88Å; F142-F176 HydrophobicContact CG-CE1 3.88Å; F142-F176 HydrophobicContact CZ-CD1 4.26Å; F142-F176 HydrophobicContact CZ-CE1 4.01Å; L154-F176 HydrophobicContact CD1-CE2 4.38Å; L154-F176 HydrophobicContact CD1-CZ 3.75Å; L154-F176 HydrophobicContact CD2-CZ 4.34Å; L154-F176 HydrophobicContact CG-CZ 4.1Å; L172-F176 WeakPolarHBondContact O-CG 3.26Å; L172-F176 PolarHBondContact O-N 3.01Å; L173-F176 PolarHBondContact O-N 3.1Å; F176-Q179 PolarHBondContact O-N 3.32Å; F176-S180 PolarHBondContact O-N 3.18Å
177R92.6Very high91.4Very high111 Ų11163 Ų6342%0.41931%0.31SS..Hα-helixtrans-62.5-45.4177.3-165.9166.7-174.6156.37.6112.4E127 L173 M175 Q179 S180 Q181E127-R177 VanDerWaalsContact OE1-CB 3.27Å; E127-R177 WeakPolarHBondContact OE1-CB 3.43Å; E127-R177 WeakPolarHBondContact OE1-CG 3.48Å; L173-R177 WeakPolarHBondContact O-CB 3.46Å; L173-R177 PolarHBondContact O-N 3.07Å; M175-R177 VanDerWaalsContact C-N 3.33Å; M175-R177 PolarHBondContact O-N 3.24Å; R177-Q179 VanDerWaalsContact C-N 3.35Å; R177-Q179 PolarHBondContact O-N 3.4Å; R177-S180 WeakPolarHBondContact O-CB 3.49Å; R177-S180 PolarHBondContact O-N 3.42Å; R177-Q181 WeakPolarHBondContact O-CG 3.5Å; R177-Q181 PolarHBondContact O-N 2.87Å
178A93.7Very high91.8Very high44 Ų4461.6 Ų61.636%0.36430%0.301SS..Hα-helixtrans-61.7-43.1177.300000111.4M174 M175 Q181 I182M174-A178 VanDerWaalsContact O-CB 3.27Å; M174-A178 WeakPolarHBondContact O-CB 3.45Å; M174-A178 PolarHBondContact O-N 3.23Å; M175-A178 PolarHBondContact O-N 3.02Å; A178-Q181 PolarHBondContact O-N 2.82Å; A178-I182 VanDerWaalsContact O-CG1 3.24Å; A178-I182 WeakPolarHBondContact O-CG1 3.39Å; A178-I182 PolarHBondContact O-N 3.46Å
179Q92.9Very high92.4Very high47 Ų4764.1 Ų64.122%0.2232%0.315CS..Hα-helixtrans-61.7-44.7174.7-76.2-169.4-13.400112.3Y126 F142 M175 F176 R177 Q181 I182 L183Y126-Q179 HydrophobicContact CE1-CB 4.06Å; Y126-Q179 PolarHBondContact OH-OE1 2.81Å; F142-Q179 VanDerWaalsContact CE1-OE1 3.25Å; F142-Q179 VanDerWaalsContact CZ-OE1 3.24Å; M175-Q179 WeakPolarHBondContact O-CG 3.48Å; M175-Q179 PolarHBondContact O-N 3.38Å; F176-Q179 PolarHBondContact O-N 3.32Å; R177-Q179 VanDerWaalsContact C-N 3.35Å; R177-Q179 PolarHBondContact O-N 3.4Å; Q179-Q181 VanDerWaalsContact C-N 3.3Å; Q179-Q181 PolarHBondContact O-N 3.27Å; Q179-I182 PolarHBondContact O-N 3.12Å; Q179-L183 WeakPolarHBondContact O-CG 3.39Å; Q179-L183 PolarHBondContact O-N 3.02Å
180S95.2Very high92.9Very high0 Ų067.3 Ų67.30%034%0.336CS..Hα-helixtrans-58.4-43.9176.2-167.90000111.7L120 G123 Y126 F176 R177 L183 G184L120-S180 CarbonylContact O-C 3.47Å; L120-S180 WeakPolarHBondContact O-CB 3.44Å; L120-S180 PolarHBondContact O-OG 3.41Å; G123-S180 WeakPolarHBondContact CA-OG 3.37Å; Y126-S180 VanDerWaalsContact CB-OG 3.27Å; Y126-S180 WeakPolarHBondContact CB-OG 3.21Å; F176-S180 PolarHBondContact O-N 3.18Å; R177-S180 WeakPolarHBondContact O-CB 3.49Å; R177-S180 PolarHBondContact O-N 3.42Å; S180-L183 PolarHBondContact O-N 3.38Å; S180-G184 PolarHBondContact O-N 2.98Å
181Q95.8Very high93.2Very high73 Ų7364 Ų6434%0.34133%0.326SS..Hα-helixtrans-68.1-39.1178.6-71.9178-5.800112.7L121 R177 A178 Q179 L183 G184 W185L121-Q181 PolarHBondContact O-NE2 3.28Å; R177-Q181 WeakPolarHBondContact O-CG 3.5Å; R177-Q181 PolarHBondContact O-N 2.87Å; A178-Q181 PolarHBondContact O-N 2.82Å; Q179-Q181 VanDerWaalsContact C-N 3.3Å; Q179-Q181 PolarHBondContact O-N 3.27Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-G184 PolarHBondContact O-N 2.9Å; Q181-W185 VanDerWaalsContact O-CD1 3.26Å; Q181-W185 PolarHBondContact O-N 2.86Å
182I96.7Very high93.4Very high109 Ų10961.6 Ų61.656%0.55933%0.327SS*.Hα-helixtrans-60.6-46173.1-70.3164.4000109.9A178 Q179 W185 S186A178-I182 VanDerWaalsContact O-CG1 3.24Å; A178-I182 WeakPolarHBondContact O-CG1 3.39Å; A178-I182 PolarHBondContact O-N 3.46Å; Q179-I182 PolarHBondContact O-N 3.12Å; I182-W185 PolarHBondContact O-N 2.97Å; I182-S186 WeakPolarHBondContact O-CB 3.33Å; I182-S186 PolarHBondContact O-N 3.38Å; I182-S186 PolarHBondContact O-OG 3.02Å
183L95.3Very high93.7Very high76 Ų7665.6 Ų65.640%0.39835%0.347SS..Hα-helixtrans-61.7-44.9175.3-71.3173000111.6Y126 Q179 S180 Q181 W185 S186 V187Y126-L183 HydrophobicContact CD2-CD1 4.26Å; Y126-L183 HydrophobicContact CE2-CD1 3.46Å; Y126-L183 VanDerWaalsContact CE2-CD1 3.46Å; Q179-L183 WeakPolarHBondContact O-CG 3.39Å; Q179-L183 PolarHBondContact O-N 3.02Å; S180-L183 PolarHBondContact O-N 3.38Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; L183-W185 PolarHBondContact O-N 2.97Å; L183-S186 WeakPolarHBondContact O-CB 3.49Å; L183-S186 PolarHBondContact O-N 3.36Å; L183-V187 WeakPolarHBondContact O-CG2 3.4Å; L183-V187 PolarHBondContact O-N 3.34Å
184G95Very high93.9Very high0 Ų067.5 Ų67.50%036%0.361CS..Hα-helixtrans-56.6-50.8176.300000112.3S180 Q181 S186 V187 I188S180-G184 PolarHBondContact O-N 2.98Å; Q181-G184 PolarHBondContact O-N 2.9Å; G184-S186 VanDerWaalsContact C-N 3.34Å; G184-S186 PolarHBondContact O-N 3.32Å; G184-V187 PolarHBondContact O-N 2.92Å; G184-I188 WeakPolarHBondContact O-CG1 3.29Å; G184-I188 PolarHBondContact O-N 3.31Å
185W96.8Very high93.9Very high147 Ų14764.4 Ų64.456%0.55736%0.355SS*.Hα-helixtrans-63.8-36.7175-79.8113.6000113.4L121 Q181 I182 L183 I188 M189L121-W185 HydrophobicContact CD2-CG 4.3Å; Q181-W185 VanDerWaalsContact O-CD1 3.26Å; Q181-W185 PolarHBondContact O-N 2.86Å; I182-W185 PolarHBondContact O-N 2.97Å; L183-W185 PolarHBondContact O-N 2.97Å; W185-I188 HydrophobicContact CD2-CD1 4.39Å; W185-I188 HydrophobicContact CE3-CB 4.45Å; W185-I188 HydrophobicContact CE3-CD1 3.92Å; W185-I188 HydrophobicContact CE3-CG2 4.43Å; W185-I188 HydrophobicContact CZ3-CD1 4.17Å; W185-I188 HydrophobicContact CZ3-CG2 4.47Å; W185-I188 PolarHBondContact O-N 3.08Å; W185-M189 WeakPolarHBondContact O-CG 3.37Å; W185-M189 PolarHBondContact O-N 3.34Å
186S96.5Very high94Very high44 Ų4466.5 Ų66.531%0.30837%0.367SS..Hα-helixtrans-62-44.9175.6-57.40000111.2I182 L183 G184 I188 M189 V190I182-S186 WeakPolarHBondContact O-CB 3.33Å; I182-S186 PolarHBondContact O-N 3.38Å; I182-S186 PolarHBondContact O-OG 3.02Å; L183-S186 WeakPolarHBondContact O-CB 3.49Å; L183-S186 PolarHBondContact O-N 3.36Å; G184-S186 VanDerWaalsContact C-N 3.34Å; G184-S186 PolarHBondContact O-N 3.32Å; S186-I188 VanDerWaalsContact C-N 3.35Å; S186-I188 PolarHBondContact O-N 2.94Å; S186-M189 PolarHBondContact O-N 2.94Å; S186-V190 WeakPolarHBondContact O-CB 3.41Å; S186-V190 VanDerWaalsContact O-CG2 3.27Å; S186-V190 WeakPolarHBondContact O-CG2 3.42Å; S186-V190 PolarHBondContact O-N 2.87Å
187V95Very high94.1Very high51 Ų5171.4 Ų71.431%0.30939%0.393SS..Hα-helixtrans-61.6-43.1176.1174.10000110.8V113 L120 L183 G184 V190 A191V113-V187 HydrophobicContact CG1-CG1 4.33Å; L120-V187 HydrophobicContact CD1-CG2 4.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.4Å; L183-V187 PolarHBondContact O-N 3.34Å; G184-V187 PolarHBondContact O-N 2.92Å; V187-V190 PolarHBondContact O-N 2.99Å; V187-A191 WeakPolarHBondContact O-CB 3.28Å; V187-A191 PolarHBondContact O-N 3.45Å
188I94.1Very high93.8Very high52 Ų5268.1 Ų68.127%0.26739%0.394SS..Hα-helixtrans-59.1-50.4176.6-67.8165.6000111C117 L121 G184 W185 S186 A191 A192C117-I188 HydrophobicContact CB-CD1 4.19Å; C117-I188 HydrophobicContact CB-CG1 3.86Å; C117-I188 WeakPolarHBondContact SG-CG1 3.35Å; L121-I188 HydrophobicContact CD1-CD1 3.96Å; G184-I188 WeakPolarHBondContact O-CG1 3.29Å; G184-I188 PolarHBondContact O-N 3.31Å; W185-I188 HydrophobicContact CD2-CD1 4.39Å; W185-I188 HydrophobicContact CE3-CB 4.45Å; W185-I188 HydrophobicContact CE3-CD1 3.92Å; W185-I188 HydrophobicContact CE3-CG2 4.43Å; W185-I188 HydrophobicContact CZ3-CD1 4.17Å; W185-I188 HydrophobicContact CZ3-CG2 4.47Å; W185-I188 PolarHBondContact O-N 3.08Å; S186-I188 VanDerWaalsContact C-N 3.35Å; S186-I188 PolarHBondContact O-N 2.94Å; I188-A191 PolarHBondContact O-N 3.21Å; I188-A192 WeakPolarHBondContact O-CB 3.27Å; I188-A192 PolarHBondContact O-N 3.12Å
189M95.9Very high93.5Very high107 Ų10769.7 Ų69.753%0.52740%0.399SS..Hα-helixtrans-62-47.2-179.5-72.7-171.9-67.900111.7W185 S186 A191 A192 I193W185-M189 WeakPolarHBondContact O-CG 3.37Å; W185-M189 PolarHBondContact O-N 3.34Å; S186-M189 PolarHBondContact O-N 2.94Å; M189-A191 PolarHBondContact O-N 3.28Å; M189-A192 PolarHBondContact O-N 3.03Å; M189-I193 WeakPolarHBondContact O-CB 3.38Å; M189-I193 VanDerWaalsContact O-CG1 3.29Å; M189-I193 WeakPolarHBondContact O-CG1 3.42Å; M189-I193 PolarHBondContact O-N 2.99Å
190V95.7Very high93.2Very high89 Ų8970.3 Ų70.354%0.53941%0.408SS..Hα-helixtrans-61.4-46.3178.3171.50000110.7S186 V187 A192 I193 V194S186-V190 WeakPolarHBondContact O-CB 3.41Å; S186-V190 VanDerWaalsContact O-CG2 3.27Å; S186-V190 WeakPolarHBondContact O-CG2 3.42Å; S186-V190 PolarHBondContact O-N 2.87Å; V187-V190 PolarHBondContact O-N 2.99Å; V190-A192 PolarHBondContact O-N 3.11Å; V190-I193 PolarHBondContact O-N 3.08Å; V190-V194 HydrophobicContact CG1-CG2 4.15Å; V190-V194 WeakPolarHBondContact O-CB 3.12Å; V190-V194 VanDerWaalsContact O-CG2 3.23Å; V190-V194 WeakPolarHBondContact O-CG2 3.46Å; V190-V194 PolarHBondContact O-N 3.13Å
191A92.6Very high92.8Very high41 Ų4173.8 Ų73.834%0.33943%0.431SS..Hα-helixtrans-61.8-41.6178.500000112.2V113 V187 I188 M189 G195V113-A191 HydrophobicContact CG1-CB 3.99Å; V187-A191 WeakPolarHBondContact O-CB 3.28Å; V187-A191 PolarHBondContact O-N 3.45Å; I188-A191 PolarHBondContact O-N 3.21Å; M189-A191 PolarHBondContact O-N 3.28Å; A191-G195 PolarHBondContact O-N 3.24Å
192A92Very high92.3Very high64 Ų6476.8 Ų76.853%0.52944%0.443SS..Hα-helixtrans-64.5-46.2177.100000112I188 M189 V190 G195 L196I188-A192 WeakPolarHBondContact O-CB 3.27Å; I188-A192 PolarHBondContact O-N 3.12Å; M189-A192 PolarHBondContact O-N 3.03Å; V190-A192 PolarHBondContact O-N 3.11Å; A192-G195 PolarHBondContact O-N 3.44Å; A192-L196 WeakPolarHBondContact O-CB 3.5Å; A192-L196 PolarHBondContact O-N 3.46Å
193I93.9Very high91.7Very high100 Ų10075.6 Ų75.651%0.51344%0.438SS..Hα-helixtrans-63.6-49.1178-69167.2000110.5M189 V190 G195 L196 L197M189-I193 WeakPolarHBondContact O-CB 3.38Å; M189-I193 VanDerWaalsContact O-CG1 3.29Å; M189-I193 WeakPolarHBondContact O-CG1 3.42Å; M189-I193 PolarHBondContact O-N 2.99Å; V190-I193 PolarHBondContact O-N 3.08Å; I193-G195 VanDerWaalsContact C-N 3.32Å; I193-G195 PolarHBondContact O-N 3.21Å; I193-L196 PolarHBondContact O-N 3.25Å; I193-L197 HydrophobicContact CG2-CD1 3.72Å; I193-L197 HydrophobicContact CG2-CG 4.24Å; I193-L197 WeakPolarHBondContact O-CB 3.35Å; I193-L197 WeakPolarHBondContact O-CG 3.1Å; I193-L197 PolarHBondContact O-N 2.72Å
194V92.4Very high91.2Very high91 Ų9177.3 Ų77.355%0.55246%0.455SS*.Hα-helixtrans-61.7-40.9178.6170.60000111V190 G198V190-V194 HydrophobicContact CG1-CG2 4.15Å; V190-V194 WeakPolarHBondContact O-CB 3.12Å; V190-V194 VanDerWaalsContact O-CG2 3.23Å; V190-V194 WeakPolarHBondContact O-CG2 3.46Å; V190-V194 PolarHBondContact O-N 3.13Å; V194-G198 WeakPolarHBondContact O-CA 3.46Å; V194-G198 PolarHBondContact O-N 3.45Å
195G89.8Confident90.7Very high37 Ų3786 Ų8638%0.38149%0.488SS..Hα-helixtrans-62.9-43.8176.100000113A191 A192 I193 T199A191-G195 PolarHBondContact O-N 3.24Å; A192-G195 PolarHBondContact O-N 3.44Å; I193-G195 VanDerWaalsContact C-N 3.32Å; I193-G195 PolarHBondContact O-N 3.21Å; G195-T199 WeakPolarHBondContact O-CB 3.3Å; G195-T199 PolarHBondContact O-N 2.86Å; G195-T199 PolarHBondContact O-OG1 3.27Å
196L91.4Very high89.9Confident114 Ų11480.9 Ų80.960%0.59748%0.475SS*.Hα-helixtrans-65.7-52.8177-178.862.6000111.1A192 I193 G198 T199 C200A192-L196 WeakPolarHBondContact O-CB 3.5Å; A192-L196 PolarHBondContact O-N 3.46Å; I193-L196 PolarHBondContact O-N 3.25Å; L196-G198 VanDerWaalsContact C-N 3.33Å; L196-G198 PolarHBondContact O-N 3.44Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 VanDerWaalsContact O-N 3.17Å; L196-C200 WeakPolarHBondContact O-CB 3.44Å; L196-C200 PolarHBondContact O-N 3.21Å; L196-C200 PolarHBondContact O-SG 3.18Å
197L92.3Very high89.1Confident102 Ų10283.4 Ų83.453%0.53448%0.481SS..Hα-helixtrans-59.6-44.1178.7-70.6176.8000111.4I193 T199 C200 C201I193-L197 HydrophobicContact CG2-CD1 3.72Å; I193-L197 HydrophobicContact CG2-CG 4.24Å; I193-L197 WeakPolarHBondContact O-CB 3.35Å; I193-L197 WeakPolarHBondContact O-CG 3.1Å; I193-L197 PolarHBondContact O-N 2.72Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 2.72Å; L197-C200 PolarHBondContact O-N 3.26Å; L197-C201 WeakPolarHBondContact O-CB 3.4Å; L197-C201 PolarHBondContact O-N 2.88Å; L197-C201 PolarHBondContact O-SG 3.29Å
198G87.8Confident88.5Confident42 Ų4281.7 Ų81.743%0.43347%0.471SS..Hα-helixtrans-59.3-42.6176.300000112.3V194 L196 K202V194-G198 WeakPolarHBondContact O-CA 3.46Å; V194-G198 PolarHBondContact O-N 3.45Å; L196-G198 VanDerWaalsContact C-N 3.33Å; L196-G198 PolarHBondContact O-N 3.44Å; G198-K202 VanDerWaalsContact O-CB 3.24Å; G198-K202 WeakPolarHBondContact O-CB 3.47Å; G198-K202 PolarHBondContact O-N 2.85Å
199T86.2Confident88.1Confident78 Ų7883.2 Ų83.248%0.47949%0.486SS..Hα-helixtrans-66.7-45.3176.3-590000111.7G195 L196 L197 K202 N203G195-T199 WeakPolarHBondContact O-CB 3.3Å; G195-T199 PolarHBondContact O-N 2.86Å; G195-T199 PolarHBondContact O-OG1 3.27Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 VanDerWaalsContact O-N 3.17Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 2.72Å; T199-K202 PolarHBondContact O-N 3.41Å; T199-N203 WeakPolarHBondContact O-CB 3.33Å; T199-N203 VanDerWaalsContact O-CG 3.31Å; T199-N203 PolarHBondContact O-N 2.8Å; T199-N203 PolarHBondContact O-ND2 3.28Å
200C87.3Confident87.6Confident59 Ų5986.4 Ų86.440%0.39949%0.493SS..Hα-helixtrans-60.2-51.2176.1-70.50000111.2L196 L197 K202 N203 C204L196-C200 WeakPolarHBondContact O-CB 3.44Å; L196-C200 PolarHBondContact O-N 3.21Å; L196-C200 PolarHBondContact O-SG 3.18Å; L197-C200 PolarHBondContact O-N 3.26Å; C200-K202 VanDerWaalsContact C-N 3.29Å; C200-K202 PolarHBondContact O-N 3.17Å; C200-N203 PolarHBondContact O-N 3.3Å; C200-N203 VanDerWaalsContact O-N 3.16Å; C200-C204 WeakPolarHBondContact O-CB 3.43Å; C200-C204 PolarHBondContact O-N 2.77Å; C200-C204 PolarHBondContact O-SG 2.73Å
201C87.4Confident87.2Confident73 Ų7388.6 Ų88.649%0.49350%0.502SS..Hα-helixtrans-59.2-40177.1-70.20000112.2L197 R205L197-C201 WeakPolarHBondContact O-CB 3.4Å; L197-C201 PolarHBondContact O-N 2.88Å; L197-C201 PolarHBondContact O-SG 3.29Å; C201-R205 VanDerWaalsContact O-CB 3.24Å; C201-R205 WeakPolarHBondContact O-CB 3.36Å; C201-R205 VanDerWaalsContact O-CG 3.27Å; C201-R205 WeakPolarHBondContact O-CG 3.33Å; C201-R205 PolarHBondContact O-N 2.98Å
202K83.6Confident86.8Confident136 Ų13689.7 Ų89.759%0.59150%0.5SS*.Hα-helixtrans-63.3-44.6176179.9176.6178.9170.30111.8G198 T199 C200 S206G198-K202 VanDerWaalsContact O-CB 3.24Å; G198-K202 WeakPolarHBondContact O-CB 3.47Å; G198-K202 PolarHBondContact O-N 2.85Å; T199-K202 PolarHBondContact O-N 3.41Å; C200-K202 VanDerWaalsContact C-N 3.29Å; C200-K202 PolarHBondContact O-N 3.17Å; K202-S206 PolarHBondContact O-N 3.41Å
203N84.4Confident86.5Confident84 Ų8488 Ų8845%0.44948%0.482SS..Hα-helixtrans-70.9-41.6179.5-69.6-19.2000111.8T199 C200 R205 S206T199-N203 WeakPolarHBondContact O-CB 3.33Å; T199-N203 VanDerWaalsContact O-CG 3.31Å; T199-N203 PolarHBondContact O-N 2.8Å; T199-N203 PolarHBondContact O-ND2 3.28Å; C200-N203 PolarHBondContact O-N 3.3Å; C200-N203 VanDerWaalsContact O-N 3.16Å; N203-R205 VanDerWaalsContact C-N 3.32Å; N203-R205 PolarHBondContact O-N 3.37Å; N203-S206 WeakPolarHBondContact O-CB 3.44Å; N203-S206 PolarHBondContact O-N 3.08Å; N203-S206 VanDerWaalsContact O-N 3.13Å
204C84.8Confident86.1Confident113 Ų11384.9 Ų84.976%0.76447%0.467SS*.Hα-helixtrans-64.1-34.9175.6-69.90000112.8C200 S206C200-C204 WeakPolarHBondContact O-CB 3.43Å; C200-C204 PolarHBondContact O-N 2.77Å; C200-C204 PolarHBondContact O-SG 2.73Å; C204-S206 VanDerWaalsContact C-N 3.27Å
205R84.1Confident86Confident183 Ų18385.6 Ų85.669%0.69146%0.463SS*.THydrogen-bonded Turntrans-83.50.5175.8-70.8179.4140.6175.9-3.4113.5C201 N203 Q207C201-R205 VanDerWaalsContact O-CB 3.24Å; C201-R205 WeakPolarHBondContact O-CB 3.36Å; C201-R205 VanDerWaalsContact O-CG 3.27Å; C201-R205 WeakPolarHBondContact O-CG 3.33Å; C201-R205 PolarHBondContact O-N 2.98Å; N203-R205 VanDerWaalsContact C-N 3.32Å; N203-R205 PolarHBondContact O-N 3.37Å; R205-Q207 PolarHBondContact O-N 3Å
206S81.1Confident85.9Confident39 Ų3986.3 Ų86.327%0.27345%0.454SS..  trans-62.9131.9177.1-179.70000109.9K202 N203 C204 V208K202-S206 PolarHBondContact O-N 3.41Å; N203-S206 WeakPolarHBondContact O-CB 3.44Å; N203-S206 PolarHBondContact O-N 3.08Å; N203-S206 VanDerWaalsContact O-N 3.13Å; C204-S206 VanDerWaalsContact C-N 3.27Å; S206-V208 PolarHBondContact O-N 3.17Å; S206-V208 VanDerWaalsContact OG-CG2 3.3Å; S206-V208 WeakPolarHBondContact OG-CG2 3.45Å; S206-V208 PolarHBondContact OG-N 2.98Å; S206-V208 PolarHBondContact OG-O 3.38Å
207Q79.3Confident85.7Confident97 Ų9787.3 Ų87.345%0.45345%0.454SS..SBendtrans-75.3-12.9174.5-66.5-160.5-0.200113.1R205 F272 R274R205-Q207 PolarHBondContact O-N 3Å; Q207-F272 HydrophobicContact CB-CD1 4.1Å; Q207-F272 HydrophobicContact CB-CE1 4.35Å; Q207-R274 HydrophobicContact CB-CG 4.28Å; Q207-R274 PolarHBondContact O-NE 2.83Å; Q207-R274 PolarHBondContact O-NH2 2.76Å; Q207-R274 VanDerWaalsContact O-NH2 3.16Å
208V82.6Confident85.6Confident15 Ų1590.6 Ų90.69%0.09146%0.459CS..SBendtrans-116.7151.6-177.1-63.90000111.8S206 Q212 L213 W216 F272S206-V208 PolarHBondContact O-N 3.17Å; S206-V208 VanDerWaalsContact OG-CG2 3.3Å; S206-V208 WeakPolarHBondContact OG-CG2 3.45Å; S206-V208 PolarHBondContact OG-N 2.98Å; S206-V208 PolarHBondContact OG-O 3.38Å; V208-Q212 HydrophobicContact CB-CB 4.32Å; V208-Q212 HydrophobicContact CB-CG 4.2Å; V208-Q212 HydrophobicContact CG1-CG 4.33Å; V208-L213 HydrophobicContact CG2-CB 4.02Å; V208-L213 HydrophobicContact CG2-CD1 4.05Å; V208-W216 HydrophobicContact CG2-CE3 4.27Å; V208-W216 HydrophobicContact CG2-CZ3 4.4Å; V208-F272 HydrophobicContact CG1-CD1 3.69Å; V208-F272 HydrophobicContact CG1-CD2 4.26Å; V208-F272 HydrophobicContact CG1-CE1 3.26Å; V208-F272 HydrophobicContact CG1-CE2 3.89Å; V208-F272 HydrophobicContact CG1-CG 4.18Å; V208-F272 HydrophobicContact CG1-CZ 3.38Å
209S86.5Confident85.8Confident83 Ų8391.9 Ų91.958%0.5845%0.451SS*.  trans-70.1162.4175.4-174.50000112.1L211 Q212 L213S209-L211 PolarHBondContact O-N 3.47Å; S209-Q212 PolarHBondContact O-N 2.99Å; S209-L213 WeakPolarHBondContact O-CB 3.25Å; S209-L213 PolarHBondContact O-N 3.5Å
210Y84.7Confident85.9Confident174 Ų17491.2 Ų91.268%0.68244%0.444SS*.Hα-helixtrans-58-44-176.7176.2-99.9000113.8L213 T214Y210-L213 PolarHBondContact O-N 2.91Å; Y210-T214 PolarHBondContact O-N 3.49Å; Y210-T214 PolarHBondContact O-OG1 3.42Å
211L86.9Confident86.1Confident136 Ų13694.3 Ų94.371%0.71245%0.453SS*.Hα-helixtrans-65.8-43.3178.8-72.8173.6000111.5S209 L213 T214 F215S209-L211 PolarHBondContact O-N 3.47Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 3.48Å; L211-T214 WeakPolarHBondContact O-CB 3.41Å; L211-T214 PolarHBondContact O-N 2.75Å; L211-F215 PolarHBondContact O-N 2.92Å
212Q84.9Confident86.4Confident63 Ų6396.5 Ų96.529%0.29445%0.454SS..Hα-helixtrans-64.1-39.4175.9-172.6179.87.600111.4V208 S209 T214 F215 W216 Y279V208-Q212 HydrophobicContact CB-CB 4.32Å; V208-Q212 HydrophobicContact CB-CG 4.2Å; V208-Q212 HydrophobicContact CG1-CG 4.33Å; S209-Q212 PolarHBondContact O-N 2.99Å; Q212-T214 VanDerWaalsContact C-N 3.31Å; Q212-T214 PolarHBondContact O-N 3.45Å; Q212-F215 PolarHBondContact O-N 2.71Å; Q212-W216 VanDerWaalsContact O-CB 3.3Å; Q212-W216 WeakPolarHBondContact O-CB 3.39Å; Q212-W216 PolarHBondContact O-N 2.88Å; Q212-Y279 HydrophobicContact CG-CE1 4.24Å
213L85.3Confident86.8Confident30 Ų3091.8 Ų91.816%0.15743%0.434CS..Hα-helixtrans-63.9-38.1174.5-174.465.2000111.9V208 S209 Y210 L211 W216 K217V208-L213 HydrophobicContact CG2-CB 4.02Å; V208-L213 HydrophobicContact CG2-CD1 4.05Å; S209-L213 WeakPolarHBondContact O-CB 3.25Å; S209-L213 PolarHBondContact O-N 3.5Å; Y210-L213 PolarHBondContact O-N 2.91Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 3.48Å; L213-W216 HydrophobicContact CD1-CE3 3.82Å; L213-W216 HydrophobicContact CD1-CZ3 4.2Å; L213-W216 PolarHBondContact O-N 2.91Å; L213-K217 WeakPolarHBondContact O-CG 3.37Å; L213-K217 PolarHBondContact O-N 3.04Å
214T85.9Confident87.2Confident33 Ų3394.2 Ų94.220%0.20244%0.441CS..Hα-helixtrans-67.9-43.6177.1-58.70000111.1Y210 L211 Q212 K217 R218Y210-T214 PolarHBondContact O-N 3.49Å; Y210-T214 PolarHBondContact O-OG1 3.42Å; L211-T214 WeakPolarHBondContact O-CB 3.41Å; L211-T214 PolarHBondContact O-N 2.75Å; Q212-T214 VanDerWaalsContact C-N 3.31Å; Q212-T214 PolarHBondContact O-N 3.45Å; T214-K217 PolarHBondContact O-N 2.76Å; T214-R218 WeakPolarHBondContact O-CG 3.24Å; T214-R218 PolarHBondContact O-N 3.17Å
215F89.3Confident87.6Confident107 Ų10793.6 Ų93.647%0.46943%0.427SS..Hα-helixtrans-58.8-48.7172.1173.7-96.4000111.3L211 Q212 K217 R218 Y219 Y279L211-F215 PolarHBondContact O-N 2.92Å; Q212-F215 PolarHBondContact O-N 2.71Å; F215-K217 VanDerWaalsContact C-N 3.33Å; F215-K217 PolarHBondContact O-N 3.26Å; F215-R218 WeakPolarHBondContact O-CB 3.47Å; F215-R218 PolarHBondContact O-N 3.45Å; F215-Y219 PolarHBondContact O-N 3.01Å; F215-Y279 HydrophobicContact CD1-CE1 4.14Å; F215-Y279 HydrophobicContact CD1-CE2 4.37Å; F215-Y279 HydrophobicContact CE1-CD2 4.12Å; F215-Y279 HydrophobicContact CE1-CE1 4.33Å; F215-Y279 AromaticContact CE1-CE2 3.77Å; F215-Y279 HydrophobicContact CE1-CE2 3.77Å; F215-Y279 AromaticContact CE1-CZ 3.87Å
216W88.6Confident88.1Confident51 Ų5192.8 Ų92.819%0.19342%0.423CS..Hα-helixtrans-56.8-44.8179.6178.316.2000112.1V208 Q212 L213 R218 Y219 I220 Y270 F272 Y279V208-W216 HydrophobicContact CG2-CE3 4.27Å; V208-W216 HydrophobicContact CG2-CZ3 4.4Å; Q212-W216 VanDerWaalsContact O-CB 3.3Å; Q212-W216 WeakPolarHBondContact O-CB 3.39Å; Q212-W216 PolarHBondContact O-N 2.88Å; L213-W216 HydrophobicContact CD1-CE3 3.82Å; L213-W216 HydrophobicContact CD1-CZ3 4.2Å; L213-W216 PolarHBondContact O-N 2.91Å; W216-R218 VanDerWaalsContact C-N 3.35Å; W216-R218 PolarHBondContact O-N 3.06Å; W216-Y219 PolarHBondContact O-N 3.47Å; W216-I220 PolarHBondContact O-N 2.86Å; W216-Y270 AromaticContact CE2-CE1 3.98Å; W216-Y270 HydrophobicContact CH2-CD1 4.5Å; W216-Y270 HydrophobicContact CH2-CE1 4.15Å; W216-Y270 AromaticContact CZ2-CD1 3.63Å; W216-Y270 HydrophobicContact CZ2-CD1 3.63Å; W216-Y270 AromaticContact CZ2-CE1 3.41Å; W216-Y270 HydrophobicContact CZ2-CE1 3.41Å; W216-Y270 VanDerWaalsContact CZ2-CE1 3.41Å; W216-F272 HydrophobicContact CH2-CB 3.51Å; W216-F272 HydrophobicContact CH2-CG 4.34Å; W216-F272 HydrophobicContact CZ2-CB 4.3Å; W216-F272 HydrophobicContact CZ3-CB 3.77Å; W216-F272 HydrophobicContact CZ3-CD2 4.33Å; W216-F272 HydrophobicContact CZ3-CG 4.18Å; W216-Y279 HydrophobicContact CB-CD1 3.85Å; W216-Y279 HydrophobicContact CB-CE1 4.33Å; W216-Y279 AromaticContact CD1-CD1 3.92Å; W216-Y279 HydrophobicContact CD2-CD1 4.5Å; W216-Y279 AromaticContact CG-CD1 3.84Å; W216-Y279 HydrophobicContact CG-CD1 3.84Å; W216-Y279 PolarHBondContact NE1-O 3.2Å
217K87.6Confident88.7Confident135 Ų13594.4 Ų94.459%0.58743%0.426SS*.Hα-helixtrans-58.6-44.5175-73.3173.9-176.9175.40112.5L213 T214 F215 I220 E221L213-K217 WeakPolarHBondContact O-CG 3.37Å; L213-K217 PolarHBondContact O-N 3.04Å; T214-K217 PolarHBondContact O-N 2.76Å; F215-K217 VanDerWaalsContact C-N 3.33Å; F215-K217 PolarHBondContact O-N 3.26Å; K217-I220 PolarHBondContact O-N 2.98Å; K217-E221 PolarHBondContact O-N 3.5Å; K217-E221 VanDerWaalsContact O-N 3.14Å
218R89.2Confident89.4Confident172 Ų17293.6 Ų93.665%0.64942%0.424SS*.Hα-helixtrans-66.7-39.7178.4-69.9178.5-178.61711.1112.1T214 F215 W216 E221 K222T214-R218 WeakPolarHBondContact O-CG 3.24Å; T214-R218 PolarHBondContact O-N 3.17Å; F215-R218 WeakPolarHBondContact O-CB 3.47Å; F215-R218 PolarHBondContact O-N 3.45Å; W216-R218 VanDerWaalsContact C-N 3.35Å; W216-R218 PolarHBondContact O-N 3.06Å; R218-E221 PolarHBondContact O-N 3.43Å; R218-K222 PolarHBondContact O-N 3.3Å
219Y91.6Very high90Very high68 Ų6895.5 Ų95.527%0.26744%0.442SS..Hα-helixtrans-58.9-50.9175.8172.7-96.2000110.9F215 W216 E221 K222 E223 Y279F215-Y219 PolarHBondContact O-N 3.01Å; W216-Y219 PolarHBondContact O-N 3.47Å; Y219-E221 VanDerWaalsContact C-N 3.31Å; Y219-E221 PolarHBondContact O-N 3.43Å; Y219-K222 PolarHBondContact O-N 2.97Å; Y219-E223 HydrophobicContact CE1-CB 4.42Å; Y219-E223 VanDerWaalsContact O-CB 3.3Å; Y219-E223 WeakPolarHBondContact O-CB 3.37Å; Y219-E223 PolarHBondContact O-N 3.37Å; Y219-E223 PolarHBondContact OH-OE1 3.29Å; Y219-Y279 VanDerWaalsContact CD1-CB 3.49Å; Y219-Y279 HydrophobicContact CD1-CG 4.45Å
220I89.8Confident90.4Very high65 Ų6597.7 Ų97.733%0.33344%0.441SS..Hα-helixtrans-60.1-40.3178.6-70.7-64.3000112.1W216 K217 K224 Y279W216-I220 PolarHBondContact O-N 2.86Å; K217-I220 PolarHBondContact O-N 2.98Å; I220-K224 WeakPolarHBondContact O-CB 3.43Å; I220-K224 PolarHBondContact O-N 3.46Å; I220-Y279 WeakPolarHBondContact CD1-O 3.36Å
221E90.3Very high90.8Very high123 Ų12392.4 Ų92.458%0.57543%0.427SS*.Hα-helixtrans-62.7-44.9177.4-174.7171.6-160.300111.6K217 R218 Y219 K224 E225K217-E221 PolarHBondContact O-N 3.5Å; K217-E221 VanDerWaalsContact O-N 3.14Å; R218-E221 PolarHBondContact O-N 3.43Å; Y219-E221 VanDerWaalsContact C-N 3.31Å; Y219-E221 PolarHBondContact O-N 3.43Å; E221-K224 PolarHBondContact O-N 2.87Å; E221-E225 PolarHBondContact O-N 3.41Å; E221-E225 VanDerWaalsContact O-N 3.08Å
222K93Very high91.3Very high119 Ų11990.5 Ų90.552%0.51742%0.421SS..Hα-helixtrans-72.4-36.7178.1-72.6-62.7177.9-167.70113.7R218 Y219 K224 E225 R226R218-K222 PolarHBondContact O-N 3.3Å; Y219-K222 PolarHBondContact O-N 2.97Å; K222-K224 VanDerWaalsContact C-N 3.32Å; K222-E225 WeakPolarHBondContact CD-OE2 3.25Å; K222-E225 IonicContact NZ-OE1 3.98Å; K222-E225 IonicContact NZ-OE2 3.69Å; K222-E225 PolarHBondContact NZ-OE2 3.08Å; K222-E225 PolarHBondContact O-N 3.45Å; K222-R226 WeakPolarHBondContact O-CB 3.4Å; K222-R226 VanDerWaalsContact O-CG 3.32Å; K222-R226 WeakPolarHBondContact O-CG 3.4Å; K222-R226 PolarHBondContact O-N 3.13Å
223E93.8Very high91.8Very high38 Ų3890.7 Ų90.718%0.17842%0.424CS..Hα-helixtrans-58.3-47.5172.6-177.7-177.6-127.800109.9Y219 R226 F227 S280 L282Y219-E223 HydrophobicContact CE1-CB 4.42Å; Y219-E223 VanDerWaalsContact O-CB 3.3Å; Y219-E223 WeakPolarHBondContact O-CB 3.37Å; Y219-E223 PolarHBondContact O-N 3.37Å; Y219-E223 PolarHBondContact OH-OE1 3.29Å; E223-R226 PolarHBondContact O-N 3.05Å; E223-F227 WeakPolarHBondContact O-CB 3.48Å; E223-F227 PolarHBondContact O-N 2.85Å; E223-S280 VanDerWaalsContact CD-OG 3.32Å; E223-S280 VanDerWaalsContact OE1-CB 3.29Å; E223-S280 WeakPolarHBondContact OE1-CB 3.19Å; E223-S280 PolarHBondContact OE1-OG 2.94Å; E223-S280 WeakPolarHBondContact OE2-CB 3.33Å; E223-S280 PolarHBondContact OE2-OG 2.95Å; E223-L282 HydrophobicContact CG-CD2 4.35Å
224K91.6Very high92.2Very high134 Ų13494.7 Ų94.758%0.58344%0.438SS*.Hα-helixtrans-61.4-48.8177.2-174.5-178.7176.6-175.20112.6I220 E221 K222 R226 F227 D228I220-K224 WeakPolarHBondContact O-CB 3.43Å; I220-K224 PolarHBondContact O-N 3.46Å; E221-K224 PolarHBondContact O-N 2.87Å; K222-K224 VanDerWaalsContact C-N 3.32Å; K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.12Å; K224-F227 PolarHBondContact O-N 3.05Å; K224-D228 PolarHBondContact O-N 3.37Å
225E93.2Very high92.6Very high101 Ų10195.7 Ų95.747%0.47245%0.45SS..Hα-helixtrans-56.9-43.1179-175.8-173159.600111.6E221 K222 A229E221-E225 PolarHBondContact O-N 3.41Å; E221-E225 VanDerWaalsContact O-N 3.08Å; K222-E225 WeakPolarHBondContact CD-OE2 3.25Å; K222-E225 IonicContact NZ-OE1 3.98Å; K222-E225 IonicContact NZ-OE2 3.69Å; K222-E225 PolarHBondContact NZ-OE2 3.08Å; K222-E225 PolarHBondContact O-N 3.45Å; E225-A229 PolarHBondContact O-N 3.29Å
226R95.4Very high93Very high165 Ų16593.8 Ų93.862%0.62345%0.447SS*.Hα-helixtrans-70.9-42.4177-67.8-61-174.3177.20112K222 E223 K224 D228 A229 F230K222-R226 WeakPolarHBondContact O-CB 3.4Å; K222-R226 VanDerWaalsContact O-CG 3.32Å; K222-R226 WeakPolarHBondContact O-CG 3.4Å; K222-R226 PolarHBondContact O-N 3.13Å; E223-R226 PolarHBondContact O-N 3.05Å; K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.12Å; R226-D228 VanDerWaalsContact C-N 3.34Å; R226-D228 PolarHBondContact O-N 3.49Å; R226-A229 PolarHBondContact O-N 3.49Å; R226-F230 VanDerWaalsContact O-CD2 3.32Å; R226-F230 WeakPolarHBondContact O-CD2 3.46Å; R226-F230 PolarHBondContact O-N 3.09Å
227F93.9Very high93.3Very high73 Ų7396 Ų9632%0.3246%0.458SS..Hα-helixtrans-58.6-45.8178.4-174.7-89000111.7E223 K224 A229 F230 T231 W263 L282E223-F227 WeakPolarHBondContact O-CB 3.48Å; E223-F227 PolarHBondContact O-N 2.85Å; K224-F227 PolarHBondContact O-N 3.05Å; F227-A229 PolarHBondContact O-N 3.21Å; F227-F230 PolarHBondContact O-N 2.98Å; F227-T231 WeakPolarHBondContact CE1-OG1 3.37Å; F227-T231 WeakPolarHBondContact O-CB 3.43Å; F227-T231 PolarHBondContact O-N 3.22Å; F227-T231 PolarHBondContact O-OG1 3.44Å; F227-W263 HydrophobicContact CZ-CH2 4.09Å; F227-W263 AromaticContact CZ-CZ3 3.84Å; F227-W263 HydrophobicContact CZ-CZ3 3.84Å; F227-L282 HydrophobicContact CD2-CD2 4.29Å
228D93.3Very high93.7Very high80 Ų8091.8 Ų91.843%0.42844%0.441SS..Hα-helixtrans-61.2-45.6177.3-69.5-18.8000110.6K224 R226 T231 V232K224-D228 PolarHBondContact O-N 3.37Å; R226-D228 VanDerWaalsContact C-N 3.34Å; R226-D228 PolarHBondContact O-N 3.49Å; D228-T231 PolarHBondContact O-N 2.98Å; D228-V232 WeakPolarHBondContact O-CG2 3.47Å; D228-V232 PolarHBondContact O-N 3.33Å
229A95.6Very high94Very high56 Ų5685.9 Ų85.946%0.46343%0.429SS..Hα-helixtrans-62.6-44.4177.500000113E225 R226 F227 V232 D233E225-A229 PolarHBondContact O-N 3.29Å; R226-A229 PolarHBondContact O-N 3.49Å; F227-A229 PolarHBondContact O-N 3.21Å; A229-V232 PolarHBondContact O-N 3.32Å; A229-D233 PolarHBondContact O-N 2.95Å; A229-D233 VanDerWaalsContact O-N 3.17Å
230F94.6Very high94.2Very high128 Ų12888.3 Ų88.356%0.56144%0.443SS*.Hα-helixtrans-64.9-38.8176.4-91.7-81.8000112R226 F227 D233 Y234R226-F230 VanDerWaalsContact O-CD2 3.32Å; R226-F230 WeakPolarHBondContact O-CD2 3.46Å; R226-F230 PolarHBondContact O-N 3.09Å; F227-F230 PolarHBondContact O-N 2.98Å; F230-D233 PolarHBondContact O-N 2.66Å; F230-Y234 HydrophobicContact CD1-CE2 4.18Å; F230-Y234 WeakPolarHBondContact O-CD2 3.23Å; F230-Y234 PolarHBondContact O-N 3.34Å
231T93.1Very high94.5Very high63 Ų6387.9 Ų87.939%0.38744%0.437SS..Hα-helixtrans-65.1-40.7179.1-56.80000111.3F227 D228 A235F227-T231 WeakPolarHBondContact CE1-OG1 3.37Å; F227-T231 WeakPolarHBondContact O-CB 3.43Å; F227-T231 PolarHBondContact O-N 3.22Å; F227-T231 PolarHBondContact O-OG1 3.44Å; D228-T231 PolarHBondContact O-N 2.98Å; T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.38Å; T231-A235 PolarHBondContact O-N 3.16Å
232V96.4Very high94.7Very high97 Ų9785.4 Ų85.459%0.58843%0.428SS*.Hα-helixtrans-63.6-45.7176170.60000111.6D228 A229 A235 T236D228-V232 WeakPolarHBondContact O-CG2 3.47Å; D228-V232 PolarHBondContact O-N 3.33Å; A229-V232 PolarHBondContact O-N 3.32Å; V232-A235 PolarHBondContact O-N 2.93Å; V232-T236 WeakPolarHBondContact O-CB 3.21Å; V232-T236 PolarHBondContact O-N 3.45Å; V232-T236 PolarHBondContact O-OG1 3.32Å
233D96.1Very high94.9Very high66 Ų6684.5 Ų84.535%0.35343%0.428SS..Hα-helixtrans-60.1-48177176.867.5000112A229 F230 A235 T236 K237A229-D233 PolarHBondContact O-N 2.95Å; A229-D233 VanDerWaalsContact O-N 3.17Å; F230-D233 PolarHBondContact O-N 2.66Å; D233-A235 PolarHBondContact O-N 3.29Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-K237 WeakPolarHBondContact O-CG 3.48Å; D233-K237 PolarHBondContact O-N 2.89Å; D233-K237 WeakPolarHBondContact OD1-CE 3.38Å; D233-K237 IonicContact OD1-NZ 2.64Å; D233-K237 PolarHBondContact OD1-NZ 3.4Å; D233-K237 WeakPolarHBondContact OD2-CE 3.28Å; D233-K237 IonicContact OD2-NZ 3.56Å; D233-K237 PolarHBondContact OD2-NZ 3.48Å
234Y93.9Very high95Very high115 Ų11588 Ų8845%0.45145%0.445SS..Hα-helixtrans-66-38.4178.5-89.8-106.5000112.9F230 T236 K237 L238 M255F230-Y234 HydrophobicContact CD1-CE2 4.18Å; F230-Y234 WeakPolarHBondContact O-CD2 3.23Å; F230-Y234 PolarHBondContact O-N 3.34Å; Y234-T236 VanDerWaalsContact C-N 3.31Å; Y234-T236 PolarHBondContact O-N 3.32Å; Y234-K237 PolarHBondContact O-N 2.81Å; Y234-L238 WeakPolarHBondContact O-CB 3.42Å; Y234-L238 PolarHBondContact O-N 3.38Å; Y234-M255 HydrophobicContact CD1-CE 3.53Å; Y234-M255 HydrophobicContact CE1-CE 4.1Å; Y234-M255 HydrophobicContact CG-CE 4.35Å
235A94.9Very high95.2Very high54 Ų5482.6 Ų82.645%0.44642%0.424SS..Hα-helixtrans-63.9-38174.900000111.8T231 V232 D233 L238 A239T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.38Å; T231-A235 PolarHBondContact O-N 3.16Å; V232-A235 PolarHBondContact O-N 2.93Å; D233-A235 PolarHBondContact O-N 3.29Å; A235-L238 PolarHBondContact O-N 3.21Å; A235-A239 WeakPolarHBondContact O-CB 3.37Å; A235-A239 PolarHBondContact O-N 3.34Å
236T96.6Very high95.4Very high67 Ų6785.1 Ų85.141%0.41143%0.433SS..Hα-helixtrans-65-49.6177.9-55.90000110.5V232 D233 Y234 L238 A239 E240V232-T236 WeakPolarHBondContact O-CB 3.21Å; V232-T236 PolarHBondContact O-N 3.45Å; V232-T236 PolarHBondContact O-OG1 3.32Å; D233-T236 PolarHBondContact O-N 2.99Å; Y234-T236 VanDerWaalsContact C-N 3.31Å; Y234-T236 PolarHBondContact O-N 3.32Å; T236-L238 VanDerWaalsContact C-N 3.33Å; T236-L238 PolarHBondContact O-N 2.8Å; T236-A239 PolarHBondContact O-N 3.48Å; T236-E240 WeakPolarHBondContact O-CG 3.23Å; T236-E240 PolarHBondContact O-N 3.37Å
237K95.5Very high95.5Very high96 Ų9684.9 Ų84.942%0.41744%0.437SS..Hα-helixtrans-59.1-41.6176.4-72169.9178.7164.10112.7D233 Y234 R241 M255D233-K237 WeakPolarHBondContact O-CG 3.48Å; D233-K237 PolarHBondContact O-N 2.89Å; D233-K237 WeakPolarHBondContact OD1-CE 3.38Å; D233-K237 IonicContact OD1-NZ 2.64Å; D233-K237 PolarHBondContact OD1-NZ 3.4Å; D233-K237 WeakPolarHBondContact OD2-CE 3.28Å; D233-K237 IonicContact OD2-NZ 3.56Å; D233-K237 PolarHBondContact OD2-NZ 3.48Å; Y234-K237 PolarHBondContact O-N 2.81Å; K237-R241 WeakPolarHBondContact O-CB 3.43Å; K237-R241 PolarHBondContact O-N 3.35Å; K237-M255 HydrophobicContact CB-CE 4.32Å
238L95.6Very high95.6Very high47 Ų4785.5 Ų85.525%0.24644%0.441CS..Hα-helixtrans-64-43.3176.8-179.660.2000111.6Y234 A235 T236 R241 N242 M255 F257Y234-L238 WeakPolarHBondContact O-CB 3.42Å; Y234-L238 PolarHBondContact O-N 3.38Å; A235-L238 PolarHBondContact O-N 3.21Å; T236-L238 VanDerWaalsContact C-N 3.33Å; T236-L238 PolarHBondContact O-N 2.8Å; L238-R241 VanDerWaalsContact CD1-NH2 3.32Å; L238-N242 WeakPolarHBondContact O-CB 3.47Å; L238-N242 PolarHBondContact O-N 3.14Å; L238-N242 VanDerWaalsContact O-N 3.08Å; L238-N242 PolarHBondContact O-ND2 2.7Å; L238-M255 HydrophobicContact CB-SD 4.21Å; L238-M255 HydrophobicContact CD1-SD 4.14Å; L238-F257 HydrophobicContact CB-CZ 4.32Å; L238-F257 HydrophobicContact CD1-CE2 4.01Å; L238-F257 HydrophobicContact CD1-CZ 3.8Å; L238-F257 HydrophobicContact CD2-CE1 4.27Å; L238-F257 HydrophobicContact CD2-CE2 4.43Å; L238-F257 HydrophobicContact CD2-CZ 3.69Å; L238-F257 HydrophobicContact CG-CZ 4.13Å
239A96.2Very high95.6Very high48 Ų4889 Ų8940%0.39746%0.46SS..Hα-helixtrans-64.1-46.9177.800000111.6A235 T236 N242 L243A235-A239 WeakPolarHBondContact O-CB 3.37Å; A235-A239 PolarHBondContact O-N 3.34Å; T236-A239 PolarHBondContact O-N 3.48Å; A239-N242 PolarHBondContact O-N 3.01Å; A239-L243 WeakPolarHBondContact O-CB 3.36Å; A239-L243 VanDerWaalsContact O-CG 3.27Å; A239-L243 WeakPolarHBondContact O-CG 3.3Å; A239-L243 PolarHBondContact O-N 3.38Å
240E96.3Very high95.6Very high120 Ų12092.5 Ų92.556%0.56147%0.465SS*.Hα-helixtrans-58.5-50.1177.2-74.2175.9172.900111.7T236 N242 L243 Q244T236-E240 WeakPolarHBondContact O-CG 3.23Å; T236-E240 PolarHBondContact O-N 3.37Å; E240-N242 VanDerWaalsContact C-N 3.33Å; E240-N242 PolarHBondContact O-N 3.5Å; E240-L243 PolarHBondContact O-N 2.89Å; E240-Q244 WeakPolarHBondContact O-CB 3.46Å; E240-Q244 PolarHBondContact O-N 3.25Å
241R94.9Very high95.5Very high55 Ų5595.1 Ų95.121%0.20848%0.479CS..Hα-helixtrans-56.6-46.9177.7-174.2-159.168.5166.2-0.2111.8K237 L238 S245 D253 M255K237-R241 WeakPolarHBondContact O-CB 3.43Å; K237-R241 PolarHBondContact O-N 3.35Å; L238-R241 VanDerWaalsContact CD1-NH2 3.32Å; R241-S245 WeakPolarHBondContact O-CB 3.24Å; R241-S245 PolarHBondContact O-N 3Å; R241-S245 PolarHBondContact O-OG 3.43Å; R241-D253 WeakPolarHBondContact CD-O 3.43Å; R241-D253 PolarHBondContact NH1-O 3.38Å; R241-M255 VanDerWaalsContact NH1-CB 3.33Å
242N95.2Very high95.4Very high71 Ų7195.4 Ų95.438%0.3848%0.482SS..Hα-helixtrans-67.6-42.2-178-70.8-10.1000111.7L238 A239 E240 F246L238-N242 WeakPolarHBondContact O-CB 3.47Å; L238-N242 PolarHBondContact O-N 3.14Å; L238-N242 VanDerWaalsContact O-N 3.08Å; L238-N242 PolarHBondContact O-ND2 2.7Å; A239-N242 PolarHBondContact O-N 3.01Å; E240-N242 VanDerWaalsContact C-N 3.33Å; E240-N242 PolarHBondContact O-N 3.5Å; N242-F246 VanDerWaalsContact O-CB 3.29Å; N242-F246 WeakPolarHBondContact O-CB 3.38Å; N242-F246 PolarHBondContact O-N 3.08Å
243L97.2Very high95.1Very high100 Ų10096.8 Ų96.852%0.52449%0.485SS..Hα-helixtrans-64.7-43.9176.8-71.5171.9000111.3A239 E240 F246 F247A239-L243 WeakPolarHBondContact O-CB 3.36Å; A239-L243 VanDerWaalsContact O-CG 3.27Å; A239-L243 WeakPolarHBondContact O-CG 3.3Å; A239-L243 PolarHBondContact O-N 3.38Å; E240-L243 PolarHBondContact O-N 2.89Å; L243-F246 PolarHBondContact O-N 3.02Å; L243-F247 HydrophobicContact CD2-CE2 4.25Å; L243-F247 WeakPolarHBondContact O-CD2 3.35Å; L243-F247 PolarHBondContact O-N 2.86Å
244Q96.4Very high94.8Very high112 Ų11299.5 Ų99.552%0.52351%0.507SS..Hα-helixtrans-61.3-48.7177.5-172.8176.6600111.4E240 F246 F247 E248E240-Q244 WeakPolarHBondContact O-CB 3.46Å; E240-Q244 PolarHBondContact O-N 3.25Å; Q244-F246 VanDerWaalsContact C-N 3.29Å; Q244-F246 PolarHBondContact O-N 2.68Å; Q244-F247 PolarHBondContact O-N 3.36Å; Q244-E248 HydrophobicContact CG-CG 4.26Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.05Å; Q244-E248 PolarHBondContact NE2-OE1 2.98Å; Q244-E248 VanDerWaalsContact O-CB 3.28Å; Q244-E248 WeakPolarHBondContact O-CB 3.38Å; Q244-E248 WeakPolarHBondContact O-CG 3.27Å; Q244-E248 PolarHBondContact O-N 3.26Å
245S95.3Very high94.5Very high20 Ų2096 Ų9614%0.1450%0.495CS..Hα-helixtrans-61-38.9178.6-54.90000111.8R241 N249 K250 P252R241-S245 WeakPolarHBondContact O-CB 3.24Å; R241-S245 PolarHBondContact O-N 3Å; R241-S245 PolarHBondContact O-OG 3.43Å; S245-N249 WeakPolarHBondContact O-CA 3.41Å; S245-N249 PolarHBondContact O-N 3.42Å; S245-K250 WeakPolarHBondContact CB-O 3.47Å; S245-K250 PolarHBondContact O-N 3.04Å; S245-P252 WeakPolarHBondContact OG-CA 3.19Å
246F96.4Very high94Very high154 Ų15498.7 Ų98.768%0.67551%0.508SS*.Hα-helixtrans-65.1-50.6176.8177.9-99.1000112.7N242 L243 Q244 N249N242-F246 VanDerWaalsContact O-CB 3.29Å; N242-F246 WeakPolarHBondContact O-CB 3.38Å; N242-F246 PolarHBondContact O-N 3.08Å; L243-F246 PolarHBondContact O-N 3.02Å; Q244-F246 VanDerWaalsContact C-N 3.29Å; Q244-F246 PolarHBondContact O-N 2.68Å; F246-N249 PolarHBondContact O-N 2.99Å
247F97.6Very high93.5Very high161 Ų16199.7 Ų99.771%0.70651%0.507SS*.Hα-helixtrans-74.6-29.4-177.7-75.8-68000113.5L243 Q244 N249L243-F247 HydrophobicContact CD2-CE2 4.25Å; L243-F247 WeakPolarHBondContact O-CD2 3.35Å; L243-F247 PolarHBondContact O-N 2.86Å; Q244-F247 PolarHBondContact O-N 3.36Å; F247-N249 VanDerWaalsContact C-N 3.33Å
248E96.6Very high93.1Very high85 Ų8598.5 Ų98.540%0.39751%0.509SS..Hα-helixtrans-86.1-5.1174.8-63.6-176.9-164.600113.1Q244 K250Q244-E248 HydrophobicContact CG-CG 4.26Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.05Å; Q244-E248 PolarHBondContact NE2-OE1 2.98Å; Q244-E248 VanDerWaalsContact O-CB 3.28Å; Q244-E248 WeakPolarHBondContact O-CB 3.38Å; Q244-E248 WeakPolarHBondContact O-CG 3.27Å; Q244-E248 PolarHBondContact O-N 3.26Å; E248-K250 HydrophobicContact CB-CD 4.09Å; E248-K250 HydrophobicContact CB-CG 4.17Å; E248-K250 PolarHBondContact O-N 3.27Å; E248-K250 WeakPolarHBondContact OE2-CE 3.34Å; E248-K250 IonicContact OE2-NZ 2.55Å; E248-K250 PolarHBondContact OE2-NZ 3.49Å
249N94Very high92.7Very high153 Ų15397.1 Ų97.182%0.81850%0.502SS*.THydrogen-bonded Turntrans51.450.2-175.4-167.344000112.8S245 F246 F247S245-N249 WeakPolarHBondContact O-CA 3.41Å; S245-N249 PolarHBondContact O-N 3.42Å; F246-N249 PolarHBondContact O-N 2.99Å; F247-N249 VanDerWaalsContact C-N 3.33Å
250K94.3Very high92Very high131 Ų13198.8 Ų98.857%0.5750%0.501SS*.  trans-118.7154.8179.9-69.9177.2-175164.80111.1S245 E248S245-K250 WeakPolarHBondContact CB-O 3.47Å; S245-K250 PolarHBondContact O-N 3.04Å; E248-K250 HydrophobicContact CB-CD 4.09Å; E248-K250 HydrophobicContact CB-CG 4.17Å; E248-K250 PolarHBondContact O-N 3.27Å; E248-K250 WeakPolarHBondContact OE2-CE 3.34Å; E248-K250 IonicContact OE2-NZ 2.55Å; E248-K250 PolarHBondContact OE2-NZ 3.49Å
251E92.6Very high91.4Very high183 Ų18398.7 Ų98.786%0.85550%0.499SS*.PPolyproline II helixtrans-67.3136.3168.8-67.6-174.5175.200110.2
252P91.7Very high91Very high69 Ų6996.3 Ų96.345%0.44849%0.491SS..PPolyproline II helixtrans-76.3138.3-176.429.6-34.1000112.1S245S245-P252 WeakPolarHBondContact OG-CA 3.19Å
253D89.1Confident90.6Very high125 Ų12598 Ų9867%0.66849%0.492SS*.PPolyproline II helixtrans-60.9141.9174-68.8-44.1000111.9R241 M255R241-D253 WeakPolarHBondContact CD-O 3.43Å; R241-D253 PolarHBondContact NH1-O 3.38Å; D253-M255 PolarHBondContact O-N 2.73Å
254P89.6Confident89.9Confident123 Ų12395.6 Ų95.680%0.79948%0.478SS*.PPolyproline II helixtrans-64.4128.3-179.425.2-32.7000111.2
255M88.1Confident89.2Confident41 Ų4193.4 Ų93.420%0.20247%0.468CS..  trans-119.5118.9175.5-176.9173.9178.900108.3Y234 K237 L238 R241 D253 F257Y234-M255 HydrophobicContact CD1-CE 3.53Å; Y234-M255 HydrophobicContact CE1-CE 4.1Å; Y234-M255 HydrophobicContact CG-CE 4.35Å; K237-M255 HydrophobicContact CB-CE 4.32Å; L238-M255 HydrophobicContact CB-SD 4.21Å; L238-M255 HydrophobicContact CD1-SD 4.14Å; R241-M255 VanDerWaalsContact NH1-CB 3.33Å; D253-M255 PolarHBondContact O-N 2.73Å; M255-F257 HydrophobicContact CB-CE2 3.96Å; M255-F257 HydrophobicContact CE-CE1 4.35Å; M255-F257 HydrophobicContact CE-CZ 3.88Å; M255-F257 HydrophobicContact CG-CE2 3.77Å; M255-F257 HydrophobicContact CG-CZ 3.94Å; M255-F257 VanDerWaalsContact O-CD2 3.25Å; M255-F257 WeakPolarHBondContact O-CD2 3.38Å; M255-F257 PolarHBondContact O-N 3.32Å; M255-F257 HydrophobicContact SD-CE2 3.99Å; M255-F257 HydrophobicContact SD-CZ 3.65Å
256P85.7Confident88.9Confident111 Ų11193.9 Ų93.972%0.72147%0.468SS*.  trans-72131.4-17728.3-33.2000110.8
257F85.4Confident88.3Confident89 Ų8989.2 Ų89.239%0.3946%0.455SS..  trans-119.4148.2172.1-73.9-80.8000110.7L238 M255L238-F257 HydrophobicContact CB-CZ 4.32Å; L238-F257 HydrophobicContact CD1-CE2 4.01Å; L238-F257 HydrophobicContact CD1-CZ 3.8Å; L238-F257 HydrophobicContact CD2-CE1 4.27Å; L238-F257 HydrophobicContact CD2-CE2 4.43Å; L238-F257 HydrophobicContact CD2-CZ 3.69Å; L238-F257 HydrophobicContact CG-CZ 4.13Å; M255-F257 HydrophobicContact CB-CE2 3.96Å; M255-F257 HydrophobicContact CE-CE1 4.35Å; M255-F257 HydrophobicContact CE-CZ 3.88Å; M255-F257 HydrophobicContact CG-CE2 3.77Å; M255-F257 HydrophobicContact CG-CZ 3.94Å; M255-F257 VanDerWaalsContact O-CD2 3.25Å; M255-F257 WeakPolarHBondContact O-CD2 3.38Å; M255-F257 PolarHBondContact O-N 3.32Å; M255-F257 HydrophobicContact SD-CE2 3.99Å; M255-F257 HydrophobicContact SD-CZ 3.65Å
258P87.1Confident87.4Confident71 Ų7182.7 Ų82.746%0.46143%0.431SS..  trans-59.8139.2166.2-15.428.5000109.8A262 W263P258-A262 HydrophobicContact CB-CB 4.12Å; P258-W263 HydrophobicContact CG-CZ2 4.19Å; P258-W263 PolarHBondContact O-NE1 3Å
259N86.1Confident86.3Confident18 Ų1882.2 Ų82.210%0.09643%0.426CS..  trans-68.5161.9176.562.837.6000112.2K261 A262 W263 A294 E296N259-K261 PolarHBondContact O-N 3.4Å; N259-K261 PolarHBondContact OD1-N 3.18Å; N259-A262 VanDerWaalsContact O-CB 3.3Å; N259-A262 WeakPolarHBondContact O-CB 3.32Å; N259-A262 PolarHBondContact O-N 3.19Å; N259-A262 WeakPolarHBondContact OD1-CB 3.32Å; N259-A262 PolarHBondContact OD1-N 2.87Å; N259-W263 VanDerWaalsContact O-CD1 3.28Å; N259-W263 PolarHBondContact O-N 2.85Å; N259-A294 PolarHBondContact ND2-O 2.68Å; N259-A294 VanDerWaalsContact ND2-O 3.13Å; N259-E296 HydrophobicContact CB-CB 4.01Å
260H82.9Confident85.5Confident83 Ų8376.1 Ų76.138%0.38439%0.392SS..Hα-helixtrans-57-36.9-178.3-179.6-87.4000112.8A262 W263 E264 E296H260-A262 VanDerWaalsContact C-N 3.33Å; H260-A262 PolarHBondContact O-N 3.38Å; H260-W263 WeakPolarHBondContact O-CB 3.43Å; H260-W263 PolarHBondContact O-N 3.47Å; H260-E264 WeakPolarHBondContact O-CB 3.41Å; H260-E264 PolarHBondContact O-N 2.98Å; H260-E296 WeakPolarHBondContact CB-OE1 3.43Å; H260-E296 WeakPolarHBondContact CB-OE2 3.49Å; H260-E296 PolarHBondContact N-OE2 3.07Å
261K82.8Confident84.5Confident118 Ų11874.3 Ų74.351%0.51339%0.392SS..Hα-helixtrans-61.8-41.4176.7-170.9-180175.3-172.20111.5N259 W263 E264 E265N259-K261 PolarHBondContact O-N 3.4Å; N259-K261 PolarHBondContact OD1-N 3.18Å; K261-W263 PolarHBondContact O-N 2.93Å; K261-E264 PolarHBondContact O-N 3.49Å; K261-E265 WeakPolarHBondContact CE-OE1 3.44Å; K261-E265 WeakPolarHBondContact O-CG 3.17Å; K261-E265 PolarHBondContact O-N 3.13Å
262A86.1Confident83.6Confident4 Ų467 Ų673%0.03336%0.357CS..Hα-helixtrans-60.4-45.7174.500000111.4P258 N259 H260 E264 E265 I266 Y285P258-A262 HydrophobicContact CB-CB 4.12Å; N259-A262 VanDerWaalsContact O-CB 3.3Å; N259-A262 WeakPolarHBondContact O-CB 3.32Å; N259-A262 PolarHBondContact O-N 3.19Å; N259-A262 WeakPolarHBondContact OD1-CB 3.32Å; N259-A262 PolarHBondContact OD1-N 2.87Å; H260-A262 VanDerWaalsContact C-N 3.33Å; H260-A262 PolarHBondContact O-N 3.38Å; A262-E264 VanDerWaalsContact C-N 3.33Å; A262-E264 PolarHBondContact O-N 2.54Å; A262-E265 PolarHBondContact O-N 2.9Å; A262-I266 WeakPolarHBondContact O-CG1 3.47Å; A262-I266 WeakPolarHBondContact O-CG2 3.39Å; A262-I266 PolarHBondContact O-N 3.35Å; A262-I266 VanDerWaalsContact O-N 3.09Å; A262-Y285 HydrophobicContact CB-CE1 4.01Å; A262-Y285 HydrophobicContact CB-CE2 4.11Å; A262-Y285 VanDerWaalsContact CB-OH 3.23Å; A262-Y285 WeakPolarHBondContact CB-OH 3.46Å
263W87.2Confident82.5Confident106 Ų10665.9 Ų65.940%0.40235%0.351SS..Hα-helixtrans-61.3-41175.9-75109.1000112.5F227 P258 N259 H260 K261 I266 S267F227-W263 HydrophobicContact CZ-CH2 4.09Å; F227-W263 AromaticContact CZ-CZ3 3.84Å; F227-W263 HydrophobicContact CZ-CZ3 3.84Å; P258-W263 HydrophobicContact CG-CZ2 4.19Å; P258-W263 PolarHBondContact O-NE1 3Å; N259-W263 VanDerWaalsContact O-CD1 3.28Å; N259-W263 PolarHBondContact O-N 2.85Å; H260-W263 WeakPolarHBondContact O-CB 3.43Å; H260-W263 PolarHBondContact O-N 3.47Å; K261-W263 PolarHBondContact O-N 2.93Å; W263-I266 HydrophobicContact CE3-CD1 3.83Å; W263-I266 HydrophobicContact CZ3-CD1 4.04Å; W263-I266 WeakPolarHBondContact O-CG1 3.34Å; W263-S267 WeakPolarHBondContact O-CB 3.27Å; W263-S267 PolarHBondContact O-N 3.45Å; W263-S267 PolarHBondContact O-OG 3.43Å
264E82.7Confident81.3Confident51 Ų5168.5 Ų68.524%0.23835%0.351CS..Hα-helixtrans-63.8-44178.5-168.1-174.5169.600111.6N84 K87 H260 K261 A262 S267N84-E264 WeakPolarHBondContact CB-OE1 3.49Å; N84-E264 PolarHBondContact ND2-OE1 3.43Å; N84-E264 VanDerWaalsContact ND2-OE1 3.13Å; K87-E264 VanDerWaalsContact CE-CG 3.43Å; K87-E264 WeakPolarHBondContact CE-O 3.4Å; K87-E264 WeakPolarHBondContact CE-OE1 3.36Å; K87-E264 PolarHBondContact NZ-O 3.41Å; K87-E264 IonicContact NZ-OE1 2.68Å; H260-E264 WeakPolarHBondContact O-CB 3.41Å; H260-E264 PolarHBondContact O-N 2.98Å; K261-E264 PolarHBondContact O-N 3.49Å; A262-E264 VanDerWaalsContact C-N 3.33Å; A262-E264 PolarHBondContact O-N 2.54Å; E264-S267 PolarHBondContact O-N 3.27Å
265E82.6Confident80.2Confident65 Ų6567.5 Ų67.530%0.30435%0.347SS..Hα-helixtrans-69.3-44.5-177.9-76.8-170.4-154.600113.1K261 A262 S267 A268 Y285 R288K261-E265 WeakPolarHBondContact CE-OE1 3.44Å; K261-E265 WeakPolarHBondContact O-CG 3.17Å; K261-E265 PolarHBondContact O-N 3.13Å; A262-E265 PolarHBondContact O-N 2.9Å; E265-S267 PolarHBondContact O-N 3.3Å; E265-A268 VanDerWaalsContact O-CB 3.3Å; E265-A268 WeakPolarHBondContact O-CB 3.48Å; E265-A268 PolarHBondContact O-N 2.57Å; E265-Y285 HydrophobicContact CB-CD2 4.21Å; E265-Y285 WeakPolarHBondContact OE2-CD2 3.49Å; E265-R288 IonicContact OE2-NH1 3.91Å
266I87.7Confident79Confident30 Ų3068.7 Ų68.715%0.15435%0.352CS..Hα-helixtrans-67.7-23.5178.268.2173.8000111.9A262 W263 A268 T281 L282 Y285A262-I266 WeakPolarHBondContact O-CG1 3.47Å; A262-I266 WeakPolarHBondContact O-CG2 3.39Å; A262-I266 PolarHBondContact O-N 3.35Å; A262-I266 VanDerWaalsContact O-N 3.09Å; W263-I266 HydrophobicContact CE3-CD1 3.83Å; W263-I266 HydrophobicContact CZ3-CD1 4.04Å; W263-I266 WeakPolarHBondContact O-CG1 3.34Å; I266-A268 VanDerWaalsContact C-N 3.32Å; I266-T281 WeakPolarHBondContact O-CB 3.31Å; I266-T281 PolarHBondContact O-OG1 3.34Å; I266-L282 HydrophobicContact CD1-CD1 4.44Å; I266-L282 HydrophobicContact CG2-CB 4.46Å; I266-L282 HydrophobicContact CG2-CD1 3.88Å; I266-Y285 HydrophobicContact CG2-CD1 4.28Å; I266-Y285 HydrophobicContact CG2-CG 4.01Å
267S84.1Confident78.5Confident56 Ų5670.1 Ų70.139%0.39235%0.349SS..THydrogen-bonded Turntrans-81.3-7.5177.5-59.10000113.9R76 W263 E264 E265R76-S267 WeakPolarHBondContact CG-O 3.32Å; W263-S267 WeakPolarHBondContact O-CB 3.27Å; W263-S267 PolarHBondContact O-N 3.45Å; W263-S267 PolarHBondContact O-OG 3.43Å; E264-S267 PolarHBondContact O-N 3.27Å; E265-S267 PolarHBondContact O-N 3.3Å
268A78.7Confident78.5Confident24 Ų2467.9 Ų67.920%0.19834%0.339CS..SBendtrans-63.8153.8-178.400000112.7E265 I266 Y270 T281E265-A268 VanDerWaalsContact O-CB 3.3Å; E265-A268 WeakPolarHBondContact O-CB 3.48Å; E265-A268 PolarHBondContact O-N 2.57Å; I266-A268 VanDerWaalsContact C-N 3.32Å; A268-Y270 PolarHBondContact O-N 2.71Å; A268-T281 HydrophobicContact CB-CG2 4.43Å; A268-T281 WeakPolarHBondContact O-CG2 3.39Å
269Y73.4Confident78.5Confident76 Ų7666.5 Ų66.530%0.29833%0.325SS..PPolyproline II helixtrans-67119.9175.5-172.7-88.4000110.5V100 T271V100-Y269 HydrophobicContact CG1-CD2 4.13Å; V100-Y269 HydrophobicContact CG1-CE2 3.7Å; V100-Y269 HydrophobicContact CG2-CD1 4.13Å; V100-Y269 HydrophobicContact CG2-CE1 3.56Å; V100-Y269 HydrophobicContact CG2-CE2 4.23Å; Y269-T271 HydrophobicContact CD1-CG2 4.02Å; Y269-T271 HydrophobicContact CE1-CG2 3.9Å
270Y77.3Confident78.6Confident25 Ų2565.8 Ų65.810%0.09832%0.321CS..PPolyproline II helixtrans-80.5130.4-178.6-171.2-118.9000113W216 A268 F272 Y278 Y279 T281W216-Y270 AromaticContact CE2-CE1 3.98Å; W216-Y270 HydrophobicContact CH2-CD1 4.5Å; W216-Y270 HydrophobicContact CH2-CE1 4.15Å; W216-Y270 AromaticContact CZ2-CD1 3.63Å; W216-Y270 HydrophobicContact CZ2-CD1 3.63Å; W216-Y270 AromaticContact CZ2-CE1 3.41Å; W216-Y270 HydrophobicContact CZ2-CE1 3.41Å; W216-Y270 VanDerWaalsContact CZ2-CE1 3.41Å; A268-Y270 PolarHBondContact O-N 2.71Å; Y270-F272 HydrophobicContact CE1-CB 4.34Å; Y270-Y278 VanDerWaalsContact OH-C 3.32Å; Y270-Y278 PolarHBondContact OH-O 3.06Å; Y270-Y279 WeakPolarHBondContact CE1-O 3.4Å; Y270-T281 HydrophobicContact CD2-CG2 3.93Å; Y270-T281 HydrophobicContact CG-CG2 4.36Å
271T72.9Confident78.8Confident93 Ų9362.6 Ų62.657%0.57131%0.308SS*.  trans-126.7126.3166.1530000109.7Y269Y269-T271 HydrophobicContact CD1-CG2 4.02Å; Y269-T271 HydrophobicContact CE1-CG2 3.9Å
272F74.6Confident79.1Confident29 Ų2959 Ų5913%0.12729%0.294CS..  trans-67.3135.8176.1-177.1-86.2000111.4Q207 V208 W216 Y270 R274Q207-F272 HydrophobicContact CB-CD1 4.1Å; Q207-F272 HydrophobicContact CB-CE1 4.35Å; V208-F272 HydrophobicContact CG1-CD1 3.69Å; V208-F272 HydrophobicContact CG1-CD2 4.26Å; V208-F272 HydrophobicContact CG1-CE1 3.26Å; V208-F272 HydrophobicContact CG1-CE2 3.89Å; V208-F272 HydrophobicContact CG1-CG 4.18Å; V208-F272 HydrophobicContact CG1-CZ 3.38Å; W216-F272 HydrophobicContact CH2-CB 3.51Å; W216-F272 HydrophobicContact CH2-CG 4.34Å; W216-F272 HydrophobicContact CZ2-CB 4.3Å; W216-F272 HydrophobicContact CZ3-CB 3.77Å; W216-F272 HydrophobicContact CZ3-CD2 4.33Å; W216-F272 HydrophobicContact CZ3-CG 4.18Å; Y270-F272 HydrophobicContact CE1-CB 4.34Å; F272-R274 HydrophobicContact CE1-CG 4.32Å
273S68.8Low79.3Confident46 Ų4660 Ų6032%0.32230%0.298SS..BIsolated β-bridgetrans-125.2136.6172.1-178.10000110S275 E276S273-S275 PolarHBondContact O-N 3.04Å; S273-S275 PolarHBondContact OG-N 3.19Å; S273-S275 PolarHBondContact OG-OG 3.3Å; S273-E276 CarbonylContact O-C 3.38Å; S273-E276 PolarHBondContact O-N 2.83Å; S273-E276 VanDerWaalsContact O-N 3.12Å
274R64.5Low79.2Confident179 Ų17957.2 Ų57.268%0.67529%0.287SS*.THydrogen-bonded Turntrans-60.5-25.4175.5-77.1-176.5175.7179.9-0.2114.1Q207 F272 E276Q207-R274 HydrophobicContact CB-CG 4.28Å; Q207-R274 PolarHBondContact O-NE 2.83Å; Q207-R274 PolarHBondContact O-NH2 2.76Å; Q207-R274 VanDerWaalsContact O-NH2 3.16Å; F272-R274 HydrophobicContact CE1-CG 4.32Å; R274-E276 VanDerWaalsContact C-N 3.31Å
275S65.2Low79.3Confident102 Ų10256.8 Ų56.871%0.71328%0.283SS*.THydrogen-bonded Turntrans-73.8-22178.260.40000113.3S273S273-S275 PolarHBondContact O-N 3.04Å; S273-S275 PolarHBondContact OG-N 3.19Å; S273-S275 PolarHBondContact OG-OG 3.3Å
276E63.8Low79.5Confident66 Ų6657.7 Ų57.731%0.30829%0.289SS..BIsolated β-bridgetrans-130.198.3-176.5-71.7-170.3166.300108.3S273 R274 Y278 R284S273-E276 CarbonylContact O-C 3.38Å; S273-E276 PolarHBondContact O-N 2.83Å; S273-E276 VanDerWaalsContact O-N 3.12Å; R274-E276 VanDerWaalsContact C-N 3.31Å; E276-Y278 HydrophobicContact CB-CD2 3.69Å; E276-Y278 HydrophobicContact CB-CE2 3.79Å; E276-Y278 HydrophobicContact CG-CD2 4.39Å; E276-Y278 HydrophobicContact CG-CE2 4.07Å; E276-Y278 PolarHBondContact O-N 3.42Å; E276-R284 WeakPolarHBondContact OE2-CD 3.3Å
277Q74.5Confident79.3Confident141 Ų14161 Ų6166%0.65931%0.305SS*.  trans-76.743.7-175-63.2-173.1-0.900113.7
278Y85.9Confident79.1Confident42 Ų4262.9 Ų62.917%0.16530%0.303CS..  trans-89.4153.6175.2-51.8-57.5000110.5Y270 E276 Q283 R284 E287Y270-Y278 VanDerWaalsContact OH-C 3.32Å; Y270-Y278 PolarHBondContact OH-O 3.06Å; E276-Y278 HydrophobicContact CB-CD2 3.69Å; E276-Y278 HydrophobicContact CB-CE2 3.79Å; E276-Y278 HydrophobicContact CG-CD2 4.39Å; E276-Y278 HydrophobicContact CG-CE2 4.07Å; E276-Y278 PolarHBondContact O-N 3.42Å; Y278-Q283 HydrophobicContact CD1-CG 4.19Å; Y278-R284 HydrophobicContact CD2-CB 3.62Å; Y278-R284 HydrophobicContact CD2-CG 3.49Å; Y278-R284 VanDerWaalsContact CD2-CG 3.49Å; Y278-R284 HydrophobicContact CE2-CB 4.32Å; Y278-R284 HydrophobicContact CE2-CG 3.84Å; Y278-R284 HydrophobicContact CG-CB 3.8Å; Y278-R284 HydrophobicContact CG-CG 4.2Å; Y278-E287 HydrophobicContact CD1-CB 4.09Å; Y278-E287 HydrophobicContact CE1-CB 3.34Å; Y278-E287 HydrophobicContact CE1-CG 4.14Å; Y278-E287 WeakPolarHBondContact CE1-OE2 3.42Å
279Y85.9Confident78.2Confident43 Ų4369 Ų6917%0.16934%0.338CS..SBendtrans-107.5-17.5178.6-61.8-71.7000112.3Q212 F215 W216 Y219 I220 Y270Q212-Y279 HydrophobicContact CG-CE1 4.24Å; F215-Y279 HydrophobicContact CD1-CE1 4.14Å; F215-Y279 HydrophobicContact CD1-CE2 4.37Å; F215-Y279 HydrophobicContact CE1-CD2 4.12Å; F215-Y279 HydrophobicContact CE1-CE1 4.33Å; F215-Y279 AromaticContact CE1-CE2 3.77Å; F215-Y279 HydrophobicContact CE1-CE2 3.77Å; F215-Y279 AromaticContact CE1-CZ 3.87Å; W216-Y279 HydrophobicContact CB-CD1 3.85Å; W216-Y279 HydrophobicContact CB-CE1 4.33Å; W216-Y279 AromaticContact CD1-CD1 3.92Å; W216-Y279 HydrophobicContact CD2-CD1 4.5Å; W216-Y279 AromaticContact CG-CD1 3.84Å; W216-Y279 HydrophobicContact CG-CD1 3.84Å; W216-Y279 PolarHBondContact NE1-O 3.2Å; Y219-Y279 VanDerWaalsContact CD1-CB 3.49Å; Y219-Y279 HydrophobicContact CD1-CG 4.45Å; I220-Y279 WeakPolarHBondContact CD1-O 3.36Å; Y270-Y279 WeakPolarHBondContact CE1-O 3.4Å
280S88.3Confident77.7Confident3 Ų372.9 Ų72.92%0.02136%0.364CS..SBendtrans-141.7164.8175690000111.9E223 L282 Q283 R284E223-S280 VanDerWaalsContact CD-OG 3.32Å; E223-S280 VanDerWaalsContact OE1-CB 3.29Å; E223-S280 WeakPolarHBondContact OE1-CB 3.19Å; E223-S280 PolarHBondContact OE1-OG 2.94Å; E223-S280 WeakPolarHBondContact OE2-CB 3.33Å; E223-S280 PolarHBondContact OE2-OG 2.95Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact OG-N 3.45Å; S280-Q283 VanDerWaalsContact OG-CB 3.31Å; S280-Q283 WeakPolarHBondContact OG-CB 3.29Å; S280-Q283 PolarHBondContact OG-N 3.04Å; S280-R284 WeakPolarHBondContact O-CB 3.3Å; S280-R284 PolarHBondContact O-N 2.86Å
281T87.9Confident76.8Confident16 Ų1676 Ų7610%0.09838%0.376CS..Hα-helixtrans-63.9-35.2169.739.20000112I266 A268 Y270 R284 Y285I266-T281 WeakPolarHBondContact O-CB 3.31Å; I266-T281 PolarHBondContact O-OG1 3.34Å; A268-T281 HydrophobicContact CB-CG2 4.43Å; A268-T281 WeakPolarHBondContact O-CG2 3.39Å; Y270-T281 HydrophobicContact CD2-CG2 3.93Å; Y270-T281 HydrophobicContact CG-CG2 4.36Å; T281-R284 PolarHBondContact O-N 3.46Å; T281-Y285 WeakPolarHBondContact O-CB 3.09Å; T281-Y285 PolarHBondContact O-N 2.91Å
282L89.7Confident76.1Confident43 Ų4375.8 Ų75.823%0.22537%0.371CS..Hα-helixtrans-66.5-46.8176.7178.763000111.4E223 F227 I266 S280 R284 Y285 I286E223-L282 HydrophobicContact CG-CD2 4.35Å; F227-L282 HydrophobicContact CD2-CD2 4.29Å; I266-L282 HydrophobicContact CD1-CD1 4.44Å; I266-L282 HydrophobicContact CG2-CB 4.46Å; I266-L282 HydrophobicContact CG2-CD1 3.88Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact OG-N 3.45Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 3.39Å; L282-Y285 WeakPolarHBondContact O-CB 3.3Å; L282-Y285 PolarHBondContact O-N 3.47Å; L282-I286 HydrophobicContact CD1-CD1 3.93Å; L282-I286 HydrophobicContact CD1-CG1 4.38Å; L282-I286 HydrophobicContact CG-CD1 3.95Å; L282-I286 VanDerWaalsContact O-CG1 3.32Å; L282-I286 WeakPolarHBondContact O-CG1 3.47Å; L282-I286 PolarHBondContact O-N 2.93Å
283Q88.8Confident75.3Confident25 Ų2582.3 Ų82.312%0.11740%0.399CS..Hα-helixtrans-59.1-46.5173.5-171.9-171.3-3.600110.8Y278 S280 Y285 I286 E287Y278-Q283 HydrophobicContact CD1-CG 4.19Å; S280-Q283 VanDerWaalsContact OG-CB 3.31Å; S280-Q283 WeakPolarHBondContact OG-CB 3.29Å; S280-Q283 PolarHBondContact OG-N 3.04Å; Q283-Y285 VanDerWaalsContact C-N 3.28Å; Q283-Y285 PolarHBondContact O-N 3.2Å; Q283-I286 PolarHBondContact O-N 3.48Å; Q283-E287 HydrophobicContact CG-CG 4.34Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.46Å; Q283-E287 PolarHBondContact NE2-OE1 2.89Å; Q283-E287 WeakPolarHBondContact O-CB 3.38Å; Q283-E287 PolarHBondContact O-N 3.36Å
284R86.1Confident74.6Confident46 Ų4682.5 Ų82.517%0.17440%0.404CS..Hα-helixtrans-59.2-39.8176.9-178.5174.768179.11.9112.1E276 Y278 S280 T281 L282 R288E276-R284 WeakPolarHBondContact OE2-CD 3.3Å; Y278-R284 HydrophobicContact CD2-CB 3.62Å; Y278-R284 HydrophobicContact CD2-CG 3.49Å; Y278-R284 VanDerWaalsContact CD2-CG 3.49Å; Y278-R284 HydrophobicContact CE2-CB 4.32Å; Y278-R284 HydrophobicContact CE2-CG 3.84Å; Y278-R284 HydrophobicContact CG-CB 3.8Å; Y278-R284 HydrophobicContact CG-CG 4.2Å; S280-R284 WeakPolarHBondContact O-CB 3.3Å; S280-R284 PolarHBondContact O-N 2.86Å; T281-R284 PolarHBondContact O-N 3.46Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 3.39Å; R284-R288 VanDerWaalsContact O-CG 3.28Å; R284-R288 WeakPolarHBondContact O-CG 3.24Å; R284-R288 PolarHBondContact O-N 2.85Å
285Y85.4Confident74.1Confident42 Ų4277.9 Ų77.917%0.16540%0.397CS..Hα-helixtrans-65-44.6176.5-178.1-98.2000111.2A262 E265 I266 T281 L282 Q283 R291A262-Y285 HydrophobicContact CB-CE1 4.01Å; A262-Y285 HydrophobicContact CB-CE2 4.11Å; A262-Y285 VanDerWaalsContact CB-OH 3.23Å; A262-Y285 WeakPolarHBondContact CB-OH 3.46Å; E265-Y285 HydrophobicContact CB-CD2 4.21Å; E265-Y285 WeakPolarHBondContact OE2-CD2 3.49Å; I266-Y285 HydrophobicContact CG2-CD1 4.28Å; I266-Y285 HydrophobicContact CG2-CG 4.01Å; T281-Y285 WeakPolarHBondContact O-CB 3.09Å; T281-Y285 PolarHBondContact O-N 2.91Å; L282-Y285 WeakPolarHBondContact O-CB 3.3Å; L282-Y285 PolarHBondContact O-N 3.47Å; Q283-Y285 VanDerWaalsContact C-N 3.28Å; Q283-Y285 PolarHBondContact O-N 3.2Å; Y285-R291 VanDerWaalsContact O-CD 3.29Å; Y285-R291 WeakPolarHBondContact O-CD 3.29Å
286I86.6Confident73.2Confident84 Ų8477.4 Ų77.443%0.43138%0.384SS..Hα-helixtrans-71.6-29.7-179.7-65.4167.5000112.5L282 Q283 R291L282-I286 HydrophobicContact CD1-CD1 3.93Å; L282-I286 HydrophobicContact CD1-CG1 4.38Å; L282-I286 HydrophobicContact CG-CD1 3.95Å; L282-I286 VanDerWaalsContact O-CG1 3.32Å; L282-I286 WeakPolarHBondContact O-CG1 3.47Å; L282-I286 PolarHBondContact O-N 2.93Å; Q283-I286 PolarHBondContact O-N 3.48Å; I286-R291 PolarHBondContact O-NE 3.37Å; I286-R291 PolarHBondContact O-NH1 3.12Å; I286-R291 PolarHBondContact O-NH2 3.46Å
287E83.3Confident72.3Confident101 Ų10181.2 Ų81.247%0.47241%0.406SS..Hα-helixtrans-93.9-2.3-176.3-70.9-177.4-148.700113.4Y278 Q283Y278-E287 HydrophobicContact CD1-CB 4.09Å; Y278-E287 HydrophobicContact CE1-CB 3.34Å; Y278-E287 HydrophobicContact CE1-CG 4.14Å; Y278-E287 WeakPolarHBondContact CE1-OE2 3.42Å; Q283-E287 HydrophobicContact CG-CG 4.34Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.46Å; Q283-E287 PolarHBondContact NE2-OE1 2.89Å; Q283-E287 WeakPolarHBondContact O-CB 3.38Å; Q283-E287 PolarHBondContact O-N 3.36Å
288R78.8Confident70.7Confident95 Ų9584.3 Ų84.336%0.35841%0.412SS..  trans-71.6140.2171-83.1172.2177.8-171.5-3.9111.6E265 R284 R291E265-R288 IonicContact OE2-NH1 3.91Å; R284-R288 VanDerWaalsContact O-CG 3.28Å; R284-R288 WeakPolarHBondContact O-CG 3.24Å; R284-R288 PolarHBondContact O-N 2.85Å; R288-R291 PolarHBondContact O-NE 2.92Å
289T60.7Low68.4Low153 Ų15387.1 Ų87.194%0.93944%0.435SS*.SBendtrans-79.5-20.5179.534.50000113.8
290D62.4Low66.6Low157 Ų15791 Ų9184%0.8446%0.463SS*.  trans-105.462.4-177.7-169.217000111.8
291R59.4Low64.1Low90 Ų9098.2 Ų98.234%0.3450%0.501SS..  trans-90.7128.2-179.2-83.6179.7-89.5168.40.6110.9Y285 I286 R288 F293Y285-R291 VanDerWaalsContact O-CD 3.29Å; Y285-R291 WeakPolarHBondContact O-CD 3.29Å; I286-R291 PolarHBondContact O-NE 3.37Å; I286-R291 PolarHBondContact O-NH1 3.12Å; I286-R291 PolarHBondContact O-NH2 3.46Å; R288-R291 PolarHBondContact O-NE 2.92Å; R291-F293 HydrophobicContact CB-CD2 4.38Å; R291-F293 HydrophobicContact CB-CE1 4.4Å; R291-F293 HydrophobicContact CB-CE2 3.78Å; R291-F293 HydrophobicContact CB-CZ 3.79Å; R291-F293 VanDerWaalsContact O-CD2 3.24Å; R291-F293 WeakPolarHBondContact O-CD2 3.28Å; R291-F293 WeakPolarHBondContact O-CE2 3.46Å; R291-F293 PolarHBondContact O-N 3.05Å
292D58.3Low61.6Low89 Ų89104 Ų10448%0.47653%0.531SS..  trans-81.2109.1169.6-168.8-4.6000109.6A294D292-A294 WeakPolarHBondContact OD1-CB 3.16Å; D292-A294 PolarHBondContact OD1-N 3.19Å
293F58.1Low59.2Low165 Ų165109.9 Ų109.972%0.72456%0.559SS**  trans-91.33.2177.8-63.4-81.5000112.7R291 P295R291-F293 HydrophobicContact CB-CD2 4.38Å; R291-F293 HydrophobicContact CB-CE1 4.4Å; R291-F293 HydrophobicContact CB-CE2 3.78Å; R291-F293 HydrophobicContact CB-CZ 3.79Å; R291-F293 VanDerWaalsContact O-CD2 3.24Å; R291-F293 WeakPolarHBondContact O-CD2 3.28Å; R291-F293 WeakPolarHBondContact O-CE2 3.46Å; R291-F293 PolarHBondContact O-N 3.05Å; F293-P295 WeakPolarHBondContact O-CD 3.11Å
294A53.8Low56.7Low50 Ų50117.2 Ų117.241%0.41359%0.594SS.*  trans-62.3124.2-177.900000110.4N259 D292N259-A294 PolarHBondContact ND2-O 2.68Å; N259-A294 VanDerWaalsContact ND2-O 3.13Å; D292-A294 WeakPolarHBondContact OD1-CB 3.16Å; D292-A294 PolarHBondContact OD1-N 3.19Å
295P53Low54.4Low83 Ų83122.3 Ų122.354%0.53962%0.619SS.*  trans-64.2145.9173.226.4-32000109.9F293 N297F293-P295 WeakPolarHBondContact O-CD 3.11Å; P295-N297 PolarHBondContact O-N 3.22Å; P295-N297 VanDerWaalsContact O-N 3.08Å
296E45.8Very low52Low92 Ų92123.8 Ų123.843%0.4365%0.647SS.*  trans-72.4103.6-179.8-172.5154.8-152.200110.6N259 H260N259-E296 HydrophobicContact CB-CB 4.01Å; H260-E296 WeakPolarHBondContact CB-OE1 3.43Å; H260-E296 WeakPolarHBondContact CB-OE2 3.49Å; H260-E296 PolarHBondContact N-OE2 3.07Å
297N46.5Very low49.4Very low145 Ų145126 Ų12678%0.77566%0.658SS**  trans-98.64.5179.6-68.1-26.3000113.2P295P295-N297 PolarHBondContact O-N 3.22Å; P295-N297 VanDerWaalsContact O-N 3.08Å
298R40.6Very low47Very low206 Ų206130.2 Ų130.278%0.77768%0.678SS**SBendtrans-108.9130.4-176.1-69.9-171.9-179.5-167-1.5111.5
299P38.1Very low44.9Very low102 Ų102133.9 Ų133.966%0.66270%0.702SS**  trans-65.4142.4169.726.2-30.4000110.6L301P299-L301 PolarHBondContact O-N 2.84Å
300V46.6Very low43.6Very low125 Ų125136.8 Ų136.876%0.75872%0.719SS**SBendtrans-68.72.3-169.9176.50000114
301L36.7Very low42.7Very low153 Ų153135.8 Ų135.880%0.80171%0.713SS**  trans-131.371.2-175.3-81.1160.3000111.4P299P299-L301 PolarHBondContact O-N 2.84Å
302D35.5Very low41.8Very low138 Ų138138.2 Ų138.274%0.73873%0.733SS**  trans-12893.9151.5-88.5-34.9000108.1E304D302-E304 VanDerWaalsContact C-N 3.26Å; D302-E304 PolarHBondContact O-N 2.84Å; D302-E304 VanDerWaalsContact O-N 3.1Å
303M38.7Very low40.9Very low166 Ų166140.9 Ų140.982%0.81875%0.747SS**  trans-7091.9154.8-91-167.6-73.500106.7H305M303-H305 PolarHBondContact O-N 3.16Å
304E37.1Very low39.9Very low180 Ų180139.5 Ų139.584%0.84175%0.748SS**  trans-65.787160.6-86.1-176.3143.800108.4D302 G306D302-E304 VanDerWaalsContact C-N 3.26Å; D302-E304 PolarHBondContact O-N 2.84Å; D302-E304 VanDerWaalsContact O-N 3.1Å; E304-G306 PolarHBondContact O-N 2.78Å; E304-G306 VanDerWaalsContact O-N 3.09Å
305H37.5Very low39Very low153 Ų153145.1 Ų145.171%0.70877%0.769SS**  trans-72.882.8153.6-101.962.6000107.6M303 I307M303-H305 PolarHBondContact O-N 3.16Å; H305-I307 PolarHBondContact O-N 3.39Å
306G33.7Very low38Very low73 Ų73149.2 Ų149.275%0.75379%0.785SS**  trans-72.680.2161.900000109.6E304 E308E304-G306 PolarHBondContact O-N 2.78Å; E304-G306 VanDerWaalsContact O-N 3.09Å; G306-E308 PolarHBondContact O-N 3.27Å
307I33.4Very low37.5Very low129 Ų129153.3 Ų153.366%0.66281%0.81SS**  trans-79.497.9156.8-61.5175.7000105.1H305 M309H305-I307 PolarHBondContact O-N 3.39Å; I307-M309 HydrophobicContact CG2-CG 3.97Å; I307-M309 PolarHBondContact O-N 2.87Å
308E33Very low36.8Very low191 Ų191153.9 Ų153.989%0.89381%0.813SS**  trans-61.9106.1160.6-75.4-178.3156.800107.7G306G306-E308 PolarHBondContact O-N 3.27Å
309M33.2Very low36.5Very low172 Ų172149.6 Ų149.685%0.84782%0.816SS**  trans-109.5102.6152.8-74.5-145.8-59.400107.7I307I307-M309 HydrophobicContact CG2-CG 3.97Å; I307-M309 PolarHBondContact O-N 2.87Å
310T34.3Very low36.3Very low213 Ų213153.9 Ų153.9100%1.30783%0.829SS**  trans-137.80143.5-3.90000108.1

Retrieved 310 of 310 residues in 538.4 ms (Link to these results)

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