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Apoptosis inducing factor BLCAP

Acts as a tumor suppressor; induces growth arrest at G(1)/S checkpoint and apoptosis via RB1-dependent and p53/TP53- and NF-kappa-B-independent mechanisms. Modulates expression of genes involved in the regulation of proliferation, cell cycle and apoptosis.

AlphaFold DB (P62953), UniProt , Accession A0A096MQ82, Species PAPAN (Papio anubis, Olive baboon), Gene BLCAP, Length 87 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
1M66Low66.7Low229 Ų229113.2 Ų113.2100%1.12855%0.55SS*.  057.70-63.3-172.2172.600110
2Y67.6Low66.7Low169 Ų169114.7 Ų114.766%0.66356%0.561SS**  trans-122.519.8-171.3-62.9-79.4000112.6L4 Q5Y2-L4 VanDerWaalsContact C-N 3.26Å; Y2-L4 PolarHBondContact O-N 2.88Å; Y2-Q5 WeakPolarHBondContact O-CB 3.44Å; Y2-Q5 PolarHBondContact O-N 3.29Å; Y2-Q5 VanDerWaalsContact O-N 3.07Å
3C69Low66.5Low31 Ų31113.4 Ų113.421%0.20956%0.557CS.*Hα-helixtrans-52.7-46.1-178.3-66.80000112.2Q5 W6 C43 C46C3-Q5 PolarHBondContact O-N 2.68Å; C3-W6 PolarHBondContact O-N 2.81Å; C3-C43 VanDerWaalsContact SG-CB 3.52Å; C3-C46 HydrophobicContact CB-CB 3.37Å; C3-C46 WeakPolarHBondContact CB-SG 3.3Å; C3-C46 WeakPolarHBondContact SG-CB 2.8Å; C3-C46 CovalentContact SG-SG 2.05Å; C3-C46 PolarHBondContact SG-SG 3.12Å
4L63.3Low65.7Low136 Ų136112.9 Ų112.971%0.71257%0.566SS**Hα-helixtrans-62.8-28.3-177.2-86.5164.1000112.5Y2 W6 L7 L8Y2-L4 VanDerWaalsContact C-N 3.26Å; Y2-L4 PolarHBondContact O-N 2.88Å; L4-W6 VanDerWaalsContact C-N 3.32Å; L4-W6 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.35Å; L4-L7 VanDerWaalsContact O-N 3.12Å; L4-L8 PolarHBondContact O-N 3.34Å
5Q71Confident65Low131 Ų131115.9 Ų115.961%0.61257%0.574SS**Hα-helixtrans-68.4-31.3-178.1-168.3170.7-18.800112.5Y2 C3 L7 P9Y2-Q5 WeakPolarHBondContact O-CB 3.44Å; Y2-Q5 PolarHBondContact O-N 3.29Å; Y2-Q5 VanDerWaalsContact O-N 3.07Å; C3-Q5 PolarHBondContact O-N 2.68Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-P9 VanDerWaalsContact O-CD 3.31Å; Q5-P9 WeakPolarHBondContact O-CD 3.42Å
6W67.7Low64.3Low189 Ų189110.1 Ų110.172%0.71655%0.548SS*.Hα-helixtrans-78.9-20.1174-69.393000113.1C3 L4 P9C3-W6 PolarHBondContact O-N 2.81Å; L4-W6 VanDerWaalsContact C-N 3.32Å; L4-W6 PolarHBondContact O-N 3.43Å; W6-P9 WeakPolarHBondContact O-CD 3.41Å
7L64.2Low64.2Low22 Ų22113.6 Ų113.612%0.11557%0.568CS.*Hα-helixtrans-93.8-25.3-175.7-156.4145.6000111.8L4 Q5 V10 L11 L37 F50L4-L7 PolarHBondContact O-N 3.35Å; L4-L7 VanDerWaalsContact O-N 3.12Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; L7-V10 PolarHBondContact O-N 3.01Å; L7-L11 PolarHBondContact O-N 3.15Å; L7-L37 HydrophobicContact CD1-CD2 4.47Å; L7-F50 HydrophobicContact CD1-CB 3.82Å; L7-F50 HydrophobicContact CD1-CD1 4.09Å; L7-F50 HydrophobicContact CD1-CD2 3.83Å; L7-F50 HydrophobicContact CD1-CE2 4.43Å; L7-F50 HydrophobicContact CD1-CG 3.61Å; L7-F50 HydrophobicContact CD2-CD2 3.16Å; L7-F50 HydrophobicContact CD2-CE2 3.28Å; L7-F50 HydrophobicContact CD2-CG 3.89Å; L7-F50 HydrophobicContact CD2-CZ 4.07Å; L7-F50 HydrophobicContact CG-CD2 4.04Å; L7-F50 HydrophobicContact CG-CE2 4.26Å; L7-F50 HydrophobicContact CG-CG 4.3Å
8L70.3Confident63.8Low115 Ų115113.5 Ų113.560%0.60257%0.569SS**Hα-helixtrans-53.5-45.3175.3-16673.2000113L4 V10 L11 L12L4-L8 PolarHBondContact O-N 3.34Å; L8-V10 VanDerWaalsContact C-N 3.27Å; L8-V10 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 PolarHBondContact O-N 2.05Å
9P65.5Low63.6Low77 Ų77113.3 Ų113.350%0.558%0.577SS.*Hα-helixtrans-61-36.1175.2-22.934.4000112.6Q5 W6 L12 I13Q5-P9 VanDerWaalsContact O-CD 3.31Å; Q5-P9 WeakPolarHBondContact O-CD 3.42Å; W6-P9 WeakPolarHBondContact O-CD 3.41Å; P9-L12 CarbonylContact O-C 3.6Å; P9-L12 PolarHBondContact O-N 3.44Å; P9-I13 WeakPolarHBondContact O-CG1 3.49Å; P9-I13 PolarHBondContact O-N 2.91Å
10V67.6Low63.8Low32 Ų32112.8 Ų112.819%0.19459%0.591CS.*Hα-helixtrans-75.6-36.7-177.6-164.20000111.6L7 L8 L12 I13 L33L7-V10 PolarHBondContact O-N 3.01Å; L8-V10 VanDerWaalsContact C-N 3.27Å; L8-V10 PolarHBondContact O-N 3.25Å; V10-L12 PolarHBondContact O-N 3.29Å; V10-I13 HydrophobicContact CG1-CD1 4.48Å; V10-I13 PolarHBondContact O-N 2.9Å; V10-L33 HydrophobicContact CB-CD2 3.82Å; V10-L33 HydrophobicContact CG1-CD1 3.88Å; V10-L33 HydrophobicContact CG1-CD2 3.27Å; V10-L33 HydrophobicContact CG1-CG 3.64Å; V10-L33 HydrophobicContact CG2-CD2 4.26Å
11L62.2Low63.9Low114 Ų114112.5 Ų112.560%0.59759%0.589SS**Hα-helixtrans-66.5-28.8170.6-168.965.7000111.7L7 L8 F50L7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 2.99Å; L11-F50 HydrophobicContact CD1-CE2 4.46Å
12L66.2Low63.8Low131 Ų131104.1 Ų104.169%0.68655%0.545SS*.THydrogen-bonded Turntrans-82.7-9.7176.8-150.477.9000113.6L8 P9 V10 P14L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 PolarHBondContact O-N 2.05Å; P9-L12 CarbonylContact O-C 3.6Å; P9-L12 PolarHBondContact O-N 3.44Å; V10-L12 PolarHBondContact O-N 3.29Å; L12-P14 WeakPolarHBondContact O-CD 3.35Å; L12-P14 WeakPolarHBondContact O-CG 3.4Å
13I64.5Low63.8Low98 Ų98102 Ų10250%0.50354%0.539SS..SBendtrans-67.7102.2173.9-71.5165.1000107.4P9 V10 M29P9-I13 WeakPolarHBondContact O-CG1 3.49Å; P9-I13 PolarHBondContact O-N 2.91Å; V10-I13 HydrophobicContact CG1-CD1 4.48Å; V10-I13 PolarHBondContact O-N 2.9Å; I13-M29 HydrophobicContact CG2-CE 4.08Å
14P54.5Low63.8Low106 Ų106103.4 Ų103.469%0.68855%0.55SS*.  trans-104.5150-158.131.4-15.9000111.7L12L12-P14 WeakPolarHBondContact O-CD 3.35Å; L12-P14 WeakPolarHBondContact O-CG 3.4Å
15K55.6Low64.1Low158 Ų158100.5 Ų100.569%0.68753%0.533SS*.  trans43.7105.1158.8-132.3173.2-177.9150.70116L17 W22K15-L17 PolarHBondContact O-N 3.31Å; K15-L17 VanDerWaalsContact O-N 3.13Å; K15-W22 HydrophobicContact CG-CH2 4.26Å
16P54.4Low64Low23 Ų2394.5 Ų94.515%0.14951%0.505CS..  trans-59.5124.8176.7-6.317.7000109.6N18 W22P16-N18 PolarHBondContact O-N 3.46Å; P16-W22 HydrophobicContact CB-CD2 4.15Å; P16-W22 HydrophobicContact CB-CG 4.17Å; P16-W22 HydrophobicContact CB-CZ2 4.33Å; P16-W22 HydrophobicContact CG-CD2 3.55Å; P16-W22 HydrophobicContact CG-CE3 3.89Å; P16-W22 HydrophobicContact CG-CG 3.9Å; P16-W22 HydrophobicContact CG-CH2 4.26Å; P16-W22 HydrophobicContact CG-CZ2 3.94Å; P16-W22 HydrophobicContact CG-CZ3 4.19Å; P16-W22 WeakPolarHBondContact O-CZ2 3.25Å; P16-W22 PolarHBondContact O-NE1 3.49Å
17L61.4Low64.2Low171 Ų17188.5 Ų88.590%0.89549%0.485SS*.SBendtrans-57.9-20.1-175.7-65.7150.5000112.7K15K15-L17 PolarHBondContact O-N 3.31Å; K15-L17 VanDerWaalsContact O-N 3.13Å
18N58.3Low64.8Low111 Ų11194 Ų9459%0.59451%0.509SS*.  trans-137.6114-173.5-70.575.5000112.4P16 A20 L21 W22P16-N18 PolarHBondContact O-N 3.46Å; N18-A20 PolarHBondContact O-N 2.78Å; N18-A20 VanDerWaalsContact O-N 3.12Å; N18-L21 PolarHBondContact O-N 3Å; N18-W22 VanDerWaalsContact C-NE1 3.29Å; N18-W22 PolarHBondContact O-NE1 2.87Å; N18-W22 VanDerWaalsContact O-NE1 3.15Å
19P59.8Low65Low110 Ų11091 Ų9171%0.71449%0.492SS*.G310 helixtrans-49.4-34178.516.1-29000115.4L21 W22P19-L21 PolarHBondContact O-N 2.9Å; P19-L21 VanDerWaalsContact O-N 3.16Å; P19-W22 VanDerWaalsContact C-CD1 3.41Å; P19-W22 VanDerWaalsContact O-CD1 3.23Å; P19-W22 PolarHBondContact O-N 3.43Å
20A67.8Low65.3Low103 Ų10388.7 Ų88.785%0.85148%0.482SS*.G310 helixtrans-65.1-22.1-173.300000114.7N18N18-A20 PolarHBondContact O-N 2.78Å; N18-A20 VanDerWaalsContact O-N 3.12Å
21L64.5Low65.8Low106 Ų10693.1 Ų93.156%0.55550%0.499SS*.G310 helixtrans-114.416.5-175.2-148.579.6000112.9N18 P19 F23 S24 H25N18-L21 PolarHBondContact O-N 3Å; P19-L21 PolarHBondContact O-N 2.9Å; P19-L21 VanDerWaalsContact O-N 3.16Å; L21-F23 PolarHBondContact O-N 2.97Å; L21-S24 WeakPolarHBondContact CG-OG 3.1Å; L21-S24 PolarHBondContact O-OG 3.43Å; L21-H25 WeakPolarHBondContact O-CB 3.44Å; L21-H25 PolarHBondContact O-N 3.39Å
22W63.5Low66.4Low53 Ų5394 Ų9420%0.20150%0.496CS..Hα-helixtrans-63.8-42.7-170.9-82.640.8000112.7K15 P16 N18 P19 S26 N64K15-W22 HydrophobicContact CG-CH2 4.26Å; P16-W22 HydrophobicContact CB-CD2 4.15Å; P16-W22 HydrophobicContact CB-CG 4.17Å; P16-W22 HydrophobicContact CB-CZ2 4.33Å; P16-W22 HydrophobicContact CG-CD2 3.55Å; P16-W22 HydrophobicContact CG-CE3 3.89Å; P16-W22 HydrophobicContact CG-CG 3.9Å; P16-W22 HydrophobicContact CG-CH2 4.26Å; P16-W22 HydrophobicContact CG-CZ2 3.94Å; P16-W22 HydrophobicContact CG-CZ3 4.19Å; P16-W22 WeakPolarHBondContact O-CZ2 3.25Å; P16-W22 PolarHBondContact O-NE1 3.49Å; N18-W22 VanDerWaalsContact C-NE1 3.29Å; N18-W22 PolarHBondContact O-NE1 2.87Å; N18-W22 VanDerWaalsContact O-NE1 3.15Å; P19-W22 VanDerWaalsContact C-CD1 3.41Å; P19-W22 VanDerWaalsContact O-CD1 3.23Å; P19-W22 PolarHBondContact O-N 3.43Å; W22-S26 WeakPolarHBondContact O-CB 2.85Å; W22-S26 PolarHBondContact O-N 3.12Å; W22-S26 PolarHBondContact O-OG 3.34Å; W22-N64 HydrophobicContact CE3-CB 4.37Å; W22-N64 WeakPolarHBondContact CH2-ND2 3.36Å; W22-N64 HydrophobicContact CZ3-CB 3.64Å; W22-N64 WeakPolarHBondContact CZ3-ND2 3.49Å
23F68.5Low66.7Low124 Ų12488.8 Ų88.854%0.54447%0.468SS..Hα-helixtrans-68.7-38.2-175.7-176.6-98.5000113.4L21 S26 M27 L67L21-F23 PolarHBondContact O-N 2.97Å; F23-S26 VanDerWaalsContact C-OG 3.23Å; F23-S26 VanDerWaalsContact CA-OG 3.3Å; F23-S26 WeakPolarHBondContact CA-OG 3.37Å; F23-S26 PolarHBondContact O-OG 3.45Å; F23-M27 HydrophobicContact CE1-CE 4.27Å; F23-M27 HydrophobicContact CE1-CG 4.3Å; F23-M27 HydrophobicContact CE2-CE 3.69Å; F23-M27 HydrophobicContact CZ-CE 3.46Å; F23-M27 VanDerWaalsContact CZ-CE 3.46Å; F23-M27 HydrophobicContact CZ-CG 4.32Å; F23-M27 WeakPolarHBondContact O-CB 3.44Å; F23-M27 VanDerWaalsContact O-CG 3.23Å; F23-M27 WeakPolarHBondContact O-CG 3.08Å; F23-M27 PolarHBondContact O-N 3.4Å; F23-L67 VanDerWaalsContact CE2-O 3.3Å; F23-L67 WeakPolarHBondContact CE2-O 3.22Å
24S68.4Low67.1Low62 Ų6287.4 Ų87.443%0.43446%0.462SS..Hα-helixtrans-78.4-38.4177.3450000111.3L21 S26 F28L21-S24 WeakPolarHBondContact CG-OG 3.1Å; L21-S24 PolarHBondContact O-OG 3.43Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 2.84Å; S24-F28 VanDerWaalsContact O-CB 3.25Å; S24-F28 WeakPolarHBondContact O-CB 3.46Å; S24-F28 PolarHBondContact O-N 3.07Å
25H69.9Low68Low75 Ų7585.4 Ų85.435%0.34745%0.45SS..Hα-helixtrans-66.1-35.2175.8-164.4-82.5000111.9L21 M29L21-H25 WeakPolarHBondContact O-CB 3.44Å; L21-H25 PolarHBondContact O-N 3.39Å; H25-M29 WeakPolarHBondContact CE1-CE 3.23Å; H25-M29 WeakPolarHBondContact O-CB 3.21Å; H25-M29 VanDerWaalsContact O-CG 3.26Å; H25-M29 WeakPolarHBondContact O-CG 3.46Å; H25-M29 PolarHBondContact O-N 3.48Å
26S68.9Low68.7Low4 Ų481.8 Ų81.83%0.02843%0.434CS..Hα-helixtrans-67.7-48.9174.9530000113.3W22 F23 S24 F28 M29 G30 F66W22-S26 WeakPolarHBondContact O-CB 2.85Å; W22-S26 PolarHBondContact O-N 3.12Å; W22-S26 PolarHBondContact O-OG 3.34Å; F23-S26 VanDerWaalsContact C-OG 3.23Å; F23-S26 VanDerWaalsContact CA-OG 3.3Å; F23-S26 WeakPolarHBondContact CA-OG 3.37Å; F23-S26 PolarHBondContact O-OG 3.45Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 2.84Å; S26-F28 PolarHBondContact O-N 3.25Å; S26-M29 PolarHBondContact O-N 3.3Å; S26-G30 PolarHBondContact O-N 3.47Å; S26-F66 VanDerWaalsContact CB-C 3.5Å; S26-F66 VanDerWaalsContact CB-CB 3.46Å; S26-F66 WeakPolarHBondContact CB-O 3.47Å; S26-F66 PolarHBondContact OG-O 2.88Å
27M71.6Confident69.3Low63 Ų6382.2 Ų82.231%0.3144%0.436SS..Hα-helixtrans-57.1-45.6175.1-73.8-70.2-176.800109.2F23 M29 G30 F31 L67F23-M27 HydrophobicContact CE1-CE 4.27Å; F23-M27 HydrophobicContact CE1-CG 4.3Å; F23-M27 HydrophobicContact CE2-CE 3.69Å; F23-M27 HydrophobicContact CZ-CE 3.46Å; F23-M27 VanDerWaalsContact CZ-CE 3.46Å; F23-M27 HydrophobicContact CZ-CG 4.32Å; F23-M27 WeakPolarHBondContact O-CB 3.44Å; F23-M27 VanDerWaalsContact O-CG 3.23Å; F23-M27 WeakPolarHBondContact O-CG 3.08Å; F23-M27 PolarHBondContact O-N 3.4Å; M27-M29 PolarHBondContact O-N 3.3Å; M27-G30 PolarHBondContact O-N 2.89Å; M27-F31 HydrophobicContact CB-CD2 4.39Å; M27-F31 HydrophobicContact CB-CE2 4.43Å; M27-F31 WeakPolarHBondContact O-CB 3.32Å; M27-F31 WeakPolarHBondContact O-CD2 3.46Å; M27-F31 PolarHBondContact O-N 3.26Å; M27-F31 HydrophobicContact SD-CE2 4.25Å; M27-L67 HydrophobicContact CE-CD2 3.76Å; M27-L67 HydrophobicContact CG-CD2 4.28Å; M27-L67 HydrophobicContact SD-CD2 3.66Å
28F77.1Confident69.6Low139 Ų13980.6 Ų80.661%0.6143%0.427SS*.Hα-helixtrans-60.3-46.4176.8-170.4-99000112.6S24 S26 F31 Y32S24-F28 VanDerWaalsContact O-CB 3.25Å; S24-F28 WeakPolarHBondContact O-CB 3.46Å; S24-F28 PolarHBondContact O-N 3.07Å; S26-F28 PolarHBondContact O-N 3.25Å; F28-F31 PolarHBondContact O-N 2.92Å; F28-Y32 VanDerWaalsContact O-CB 3.22Å; F28-Y32 WeakPolarHBondContact O-CB 3.25Å; F28-Y32 PolarHBondContact O-N 3.43Å
29M74.3Confident70.2Confident50 Ų5083.6 Ų83.625%0.24644%0.438CS..Hα-helixtrans-63.6-41.9177.2-77.8-65.4179.500112.4I13 H25 S26 M27 Y32 L33I13-M29 HydrophobicContact CG2-CE 4.08Å; H25-M29 WeakPolarHBondContact CE1-CE 3.23Å; H25-M29 WeakPolarHBondContact O-CB 3.21Å; H25-M29 VanDerWaalsContact O-CG 3.26Å; H25-M29 WeakPolarHBondContact O-CG 3.46Å; H25-M29 PolarHBondContact O-N 3.48Å; S26-M29 PolarHBondContact O-N 3.3Å; M27-M29 PolarHBondContact O-N 3.3Å; M29-Y32 PolarHBondContact O-N 3.01Å; M29-L33 WeakPolarHBondContact O-CB 3.41Å; M29-L33 WeakPolarHBondContact O-CD1 3.48Å; M29-L33 WeakPolarHBondContact O-CG 3.35Å; M29-L33 PolarHBondContact O-N 3.23Å
30G72.9Confident70.4Confident29 Ų2985.8 Ų85.830%0.29943%0.431SS..Hα-helixtrans-64.9-45.6176.900000112.6S26 M27 L33 L34S26-G30 PolarHBondContact O-N 3.47Å; M27-G30 PolarHBondContact O-N 2.89Å; G30-L33 PolarHBondContact O-N 3.48Å; G30-L34 WeakPolarHBondContact O-CB 3.23Å; G30-L34 PolarHBondContact O-N 3.32Å
31F76.8Confident70.4Confident125 Ų12591.1 Ų91.155%0.54844%0.435SS..Hα-helixtrans-67-36.7174.9-78-63.8000112.4M27 F28 L34 S35M27-F31 HydrophobicContact CB-CD2 4.39Å; M27-F31 HydrophobicContact CB-CE2 4.43Å; M27-F31 WeakPolarHBondContact O-CB 3.32Å; M27-F31 WeakPolarHBondContact O-CD2 3.46Å; M27-F31 PolarHBondContact O-N 3.26Å; M27-F31 HydrophobicContact SD-CE2 4.25Å; F28-F31 PolarHBondContact O-N 2.92Å; F31-L34 PolarHBondContact O-N 2.93Å; F31-S35 VanDerWaalsContact O-CB 3.25Å; F31-S35 WeakPolarHBondContact O-CB 3.47Å; F31-S35 PolarHBondContact O-N 3.09Å; F31-S35 PolarHBondContact O-OG 3.49Å
32Y75Confident70Confident134 Ų13488.9 Ų88.953%0.52543%0.427SS..Hα-helixtrans-61.6-47.9174.9179-97000111.2F28 M29 S35 F36F28-Y32 VanDerWaalsContact O-CB 3.22Å; F28-Y32 WeakPolarHBondContact O-CB 3.25Å; F28-Y32 PolarHBondContact O-N 3.43Å; M29-Y32 PolarHBondContact O-N 3.01Å; Y32-S35 PolarHBondContact O-N 3.46Å; Y32-F36 WeakPolarHBondContact O-CB 3.48Å; Y32-F36 PolarHBondContact O-N 2.87Å
33L72.5Confident70.4Confident20 Ų2089.8 Ų89.811%0.10544%0.441CS..Hα-helixtrans-58.4-49.4173.8-86.6161.5000111.9V10 M29 G30 S35 F36 L37 F50V10-L33 HydrophobicContact CB-CD2 3.82Å; V10-L33 HydrophobicContact CG1-CD1 3.88Å; V10-L33 HydrophobicContact CG1-CD2 3.27Å; V10-L33 HydrophobicContact CG1-CG 3.64Å; V10-L33 HydrophobicContact CG2-CD2 4.26Å; M29-L33 WeakPolarHBondContact O-CB 3.41Å; M29-L33 WeakPolarHBondContact O-CD1 3.48Å; M29-L33 WeakPolarHBondContact O-CG 3.35Å; M29-L33 PolarHBondContact O-N 3.23Å; G30-L33 PolarHBondContact O-N 3.48Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.95Å; L33-F36 PolarHBondContact O-N 2.92Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 3.4Å; L33-F50 HydrophobicContact CB-CE1 3.99Å; L33-F50 HydrophobicContact CD1-CE1 3.64Å; L33-F50 HydrophobicContact CD1-CZ 3.53Å; L33-F50 HydrophobicContact CD2-CE1 3.66Å; L33-F50 HydrophobicContact CD2-CZ 3.84Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; L33-F50 HydrophobicContact CG-CZ 4.2Å
34L73.2Confident70.5Confident69 Ų6989.1 Ų89.136%0.36145%0.447SS..Hα-helixtrans-61-42178.4-174.863.7000112G30 F31 L37 L38 L51G30-L34 WeakPolarHBondContact O-CB 3.23Å; G30-L34 PolarHBondContact O-N 3.32Å; F31-L34 PolarHBondContact O-N 2.93Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.2Å; L34-L38 HydrophobicContact CG-CD1 4.4Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.48Å; L34-L51 HydrophobicContact CD1-CD1 4.24Å
35S73.4Confident71Confident64 Ų6492 Ų9245%0.44846%0.457SS..Hα-helixtrans-64.7-43.4177.7-57.20000111.1F31 Y32 L33 L37 L38 E39F31-S35 VanDerWaalsContact O-CB 3.25Å; F31-S35 WeakPolarHBondContact O-CB 3.47Å; F31-S35 PolarHBondContact O-N 3.09Å; F31-S35 PolarHBondContact O-OG 3.49Å; Y32-S35 PolarHBondContact O-N 3.46Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.95Å; S35-L37 VanDerWaalsContact C-N 3.26Å; S35-L37 PolarHBondContact O-N 2.86Å; S35-L38 PolarHBondContact O-N 3.48Å; S35-L38 VanDerWaalsContact O-N 3.15Å; S35-E39 VanDerWaalsContact O-CB 3.3Å; S35-E39 WeakPolarHBondContact O-CB 3.39Å; S35-E39 PolarHBondContact O-N 2.76Å
36F71Confident71.3Confident82 Ų8290.1 Ų90.136%0.3645%0.451SS..Hα-helixtrans-61-36.2175.2-168.9-96.6000112.2Y32 L33 R40Y32-F36 WeakPolarHBondContact O-CB 3.48Å; Y32-F36 PolarHBondContact O-N 2.87Å; L33-F36 PolarHBondContact O-N 2.92Å; F36-R40 HydrophobicContact CE1-CG 4.34Å; F36-R40 HydrophobicContact CE2-CG 4.37Å; F36-R40 HydrophobicContact CZ-CG 4.17Å; F36-R40 WeakPolarHBondContact O-CB 3.26Å; F36-R40 PolarHBondContact O-N 2.83Å; F36-R40 VanDerWaalsContact O-N 3.12Å
37L67.1Low71.5Confident33 Ų3390.9 Ų90.917%0.17346%0.458CS..Hα-helixtrans-73.5-27176-66.8170.6000113.9L7 L33 L34 S35 R40 A47 F50L7-L37 HydrophobicContact CD1-CD2 4.47Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 3.4Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.2Å; S35-L37 VanDerWaalsContact C-N 3.26Å; S35-L37 PolarHBondContact O-N 2.86Å; L37-R40 CarbonylContact C-O 3.59Å; L37-A47 HydrophobicContact CB-CB 4.12Å; L37-A47 HydrophobicContact CD1-CB 4.01Å; L37-A47 HydrophobicContact CD2-CB 3.93Å; L37-A47 HydrophobicContact CG-CB 4.24Å; L37-F50 HydrophobicContact CD1-CD1 4Å
38L67.8Low71.8Confident137 Ų13793.1 Ų93.172%0.71747%0.47SS*.Hα-helixtrans-81.6-38174.5-73.2171.6000112L34 S35L34-L38 HydrophobicContact CG-CD1 4.4Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.48Å; S35-L38 PolarHBondContact O-N 3.48Å; S35-L38 VanDerWaalsContact O-N 3.15Å
39E69.6Low71.9Confident174 Ų17490.9 Ų90.981%0.81347%0.468SS*.Hα-helixtrans-78.9-45.1-173.7-173.8161.811200112.5S35S35-E39 VanDerWaalsContact O-CB 3.3Å; S35-E39 WeakPolarHBondContact O-CB 3.39Å; S35-E39 PolarHBondContact O-N 2.76Å
40R65.1Low71.9Confident155 Ų15589.4 Ų89.459%0.58546%0.46SS*.SBendtrans-77.1137.5165-64.8-78.9-160.2170.72.3105F36 L37 P42F36-R40 HydrophobicContact CE1-CG 4.34Å; F36-R40 HydrophobicContact CE2-CG 4.37Å; F36-R40 HydrophobicContact CZ-CG 4.17Å; F36-R40 WeakPolarHBondContact O-CB 3.26Å; F36-R40 PolarHBondContact O-N 2.83Å; F36-R40 VanDerWaalsContact O-N 3.12Å; L37-R40 CarbonylContact C-O 3.59Å; R40-P42 VanDerWaalsContact CB-CD 3.44Å; R40-P42 HydrophobicContact CB-CG 3.89Å; R40-P42 WeakPolarHBondContact O-CD 3.37Å
41K66.9Low72Confident215 Ų21592.2 Ų92.294%0.93547%0.468SS*.  trans-87.731.8171.8-127.8159.3178.4172.60114.1C43K41-C43 PolarHBondContact O-N 3.23Å
42P57.3Low72.2Confident59 Ų5988.4 Ų88.438%0.38346%0.46SS..SBendtrans-86.5111-172.637.3-28000107R40R40-P42 VanDerWaalsContact CB-CD 3.44Å; R40-P42 HydrophobicContact CB-CG 3.89Å; R40-P42 WeakPolarHBondContact O-CD 3.37Å
43C71.2Confident72.4Confident72 Ų7284 Ų8449%0.48645%0.45SS..  trans45.389.9162.3-59.80000114.4C3 K41 I45 C46 A47C3-C43 VanDerWaalsContact SG-CB 3.52Å; K41-C43 PolarHBondContact O-N 3.23Å; C43-I45 HydrophobicContact CB-CG2 4.02Å; C43-I45 PolarHBondContact O-N 3.3Å; C43-C46 HydrophobicContact CB-CB 4.17Å; C43-C46 WeakPolarHBondContact CB-SG 3.42Å; C43-C46 WeakPolarHBondContact O-CB 3.21Å; C43-C46 PolarHBondContact O-N 2.95Å; C43-A47 PolarHBondContact O-N 3.01Å
44T71.6Confident72.4Confident110 Ų11085.8 Ų85.868%0.67546%0.46SS*.Hα-helixtrans-43.4-34.1171.8-49.80000113.2C46 A47 L48T44-C46 PolarHBondContact O-N 3.39Å; T44-A47 PolarHBondContact O-N 3.34Å; T44-L48 HydrophobicContact CG2-CD1 4.25Å; T44-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 WeakPolarHBondContact O-CB 3.33Å; T44-L48 WeakPolarHBondContact O-CG 3.41Å; T44-L48 PolarHBondContact O-N 3.01Å
45I77.1Confident72.7Confident124 Ų12489 Ų8964%0.63647%0.471SS*.Hα-helixtrans-59.9-40175.3-166.3159.3000113.6C43 L48 V49C43-I45 HydrophobicContact CB-CG2 4.02Å; C43-I45 PolarHBondContact O-N 3.3Å; I45-L48 PolarHBondContact O-N 2.83Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.19Å; I45-V49 PolarHBondContact O-N 3.44Å
46C76.6Confident72.9Confident35 Ų3591 Ų9124%0.23648%0.476CS..Hα-helixtrans-68-41.3178.5-58.50000111C3 C43 T44 V49 F50C3-C46 HydrophobicContact CB-CB 3.37Å; C3-C46 WeakPolarHBondContact CB-SG 3.3Å; C3-C46 WeakPolarHBondContact SG-CB 2.8Å; C3-C46 CovalentContact SG-SG 2.05Å; C3-C46 PolarHBondContact SG-SG 3.12Å; C43-C46 HydrophobicContact CB-CB 4.17Å; C43-C46 WeakPolarHBondContact CB-SG 3.42Å; C43-C46 WeakPolarHBondContact O-CB 3.21Å; C43-C46 PolarHBondContact O-N 2.95Å; T44-C46 PolarHBondContact O-N 3.39Å; C46-V49 PolarHBondContact O-N 3.35Å; C46-F50 PolarHBondContact O-N 3.38Å; C46-F50 VanDerWaalsContact O-N 3.09Å
47A73Confident73Confident19 Ų1990.6 Ų90.616%0.15748%0.477CS..Hα-helixtrans-63-45175.100000111.7L37 C43 T44 F50 L51L37-A47 HydrophobicContact CB-CB 4.12Å; L37-A47 HydrophobicContact CD1-CB 4.01Å; L37-A47 HydrophobicContact CD2-CB 3.93Å; L37-A47 HydrophobicContact CG-CB 4.24Å; C43-A47 PolarHBondContact O-N 3.01Å; T44-A47 PolarHBondContact O-N 3.34Å; A47-F50 PolarHBondContact O-N 2.88Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.01Å
48L77.7Confident73.3Confident110 Ų11090.5 Ų90.558%0.57648%0.479SS*.Hα-helixtrans-61.9-44.3177.5-76.2176.5000112.1T44 I45 F50 L51 A52T44-L48 HydrophobicContact CG2-CD1 4.25Å; T44-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 WeakPolarHBondContact O-CB 3.33Å; T44-L48 WeakPolarHBondContact O-CG 3.41Å; T44-L48 PolarHBondContact O-N 3.01Å; I45-L48 PolarHBondContact O-N 2.83Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.85Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 2.95Å
49V79.2Confident73.7Confident92 Ų9292.9 Ų92.956%0.55848%0.48SS*.Hα-helixtrans-62.1-42.1177.61710000111I45 C46 A52 A53I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.19Å; I45-V49 PolarHBondContact O-N 3.44Å; C46-V49 PolarHBondContact O-N 3.35Å; V49-A52 PolarHBondContact O-N 3.45Å; V49-A53 WeakPolarHBondContact O-CB 2.91Å; V49-A53 PolarHBondContact O-N 3.34Å
50F74.5Confident73.8Confident19 Ų1987.9 Ų87.98%0.08346%0.464CS..Hα-helixtrans-67.3-44.4178.5-178.8-110000112.9L7 L11 L33 L37 C46 A47 L48 A52 A53 L54L7-F50 HydrophobicContact CD1-CB 3.82Å; L7-F50 HydrophobicContact CD1-CD1 4.09Å; L7-F50 HydrophobicContact CD1-CD2 3.83Å; L7-F50 HydrophobicContact CD1-CE2 4.43Å; L7-F50 HydrophobicContact CD1-CG 3.61Å; L7-F50 HydrophobicContact CD2-CD2 3.16Å; L7-F50 HydrophobicContact CD2-CE2 3.28Å; L7-F50 HydrophobicContact CD2-CG 3.89Å; L7-F50 HydrophobicContact CD2-CZ 4.07Å; L7-F50 HydrophobicContact CG-CD2 4.04Å; L7-F50 HydrophobicContact CG-CE2 4.26Å; L7-F50 HydrophobicContact CG-CG 4.3Å; L11-F50 HydrophobicContact CD1-CE2 4.46Å; L33-F50 HydrophobicContact CB-CE1 3.99Å; L33-F50 HydrophobicContact CD1-CE1 3.64Å; L33-F50 HydrophobicContact CD1-CZ 3.53Å; L33-F50 HydrophobicContact CD2-CE1 3.66Å; L33-F50 HydrophobicContact CD2-CZ 3.84Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; L33-F50 HydrophobicContact CG-CZ 4.2Å; L37-F50 HydrophobicContact CD1-CD1 4Å; C46-F50 PolarHBondContact O-N 3.38Å; C46-F50 VanDerWaalsContact O-N 3.09Å; A47-F50 PolarHBondContact O-N 2.88Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.85Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-A52 PolarHBondContact O-N 2.89Å; F50-A53 PolarHBondContact O-N 3.36Å; F50-L54 HydrophobicContact CD1-CD1 4.08Å; F50-L54 HydrophobicContact CE1-CD1 3.49Å; F50-L54 VanDerWaalsContact CE1-CD1 3.49Å; F50-L54 HydrophobicContact CE1-CG 4.11Å; F50-L54 HydrophobicContact CE2-CD2 4.47Å; F50-L54 HydrophobicContact CE2-CG 4.35Å; F50-L54 HydrophobicContact CZ-CD1 3.79Å; F50-L54 HydrophobicContact CZ-CD2 4.16Å; F50-L54 HydrophobicContact CZ-CG 4.01Å; F50-L54 PolarHBondContact O-N 2.84Å
51L75.4Confident73.9Confident88 Ų8883 Ų8346%0.46145%0.453SS..Hα-helixtrans-62.8-41.8176.4-161.9160.7000110.8L34 A47 L48 A53 L54 F55L34-L51 HydrophobicContact CD1-CD1 4.24Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.01Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 2.9Å; L51-L54 PolarHBondContact O-N 3.07Å; L51-F55 WeakPolarHBondContact O-CB 3.33Å; L51-F55 PolarHBondContact O-N 3.27Å
52A81.3Confident73.5Confident46 Ų4682.8 Ų82.838%0.3845%0.446SS..Hα-helixtrans-61.8-40.3174.600000112.3L48 V49 F50 F55 L56L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 2.95Å; V49-A52 PolarHBondContact O-N 3.45Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-A52 PolarHBondContact O-N 2.89Å; A52-F55 PolarHBondContact O-N 3.35Å; A52-L56 WeakPolarHBondContact O-CB 3.37Å; A52-L56 WeakPolarHBondContact O-CG 3.3Å; A52-L56 PolarHBondContact O-N 2.85Å
53A78.3Confident73.6Confident40 Ų4082.2 Ų82.233%0.33145%0.451SS..Hα-helixtrans-63.1-44.9175.100000111.7V49 F50 L51 F55 L56 I57V49-A53 WeakPolarHBondContact O-CB 2.91Å; V49-A53 PolarHBondContact O-N 3.34Å; F50-A53 PolarHBondContact O-N 3.36Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 2.9Å; A53-F55 VanDerWaalsContact C-N 3.32Å; A53-F55 PolarHBondContact O-N 3.04Å; A53-L56 PolarHBondContact O-N 3.28Å; A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 WeakPolarHBondContact O-CD1 3.41Å; A53-I57 WeakPolarHBondContact O-CG1 3.18Å; A53-I57 PolarHBondContact O-N 2.62Å
54L73.8Confident72.9Confident58 Ų5884.1 Ų84.130%0.30446%0.457SS..Hα-helixtrans-60.7-42174.8-70.1178.4000112.1F50 L51 C58F50-L54 HydrophobicContact CD1-CD1 4.08Å; F50-L54 HydrophobicContact CE1-CD1 3.49Å; F50-L54 VanDerWaalsContact CE1-CD1 3.49Å; F50-L54 HydrophobicContact CE1-CG 4.11Å; F50-L54 HydrophobicContact CE2-CD2 4.47Å; F50-L54 HydrophobicContact CE2-CG 4.35Å; F50-L54 HydrophobicContact CZ-CD1 3.79Å; F50-L54 HydrophobicContact CZ-CD2 4.16Å; F50-L54 HydrophobicContact CZ-CG 4.01Å; F50-L54 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.07Å; L54-C58 WeakPolarHBondContact O-CB 2.99Å; L54-C58 PolarHBondContact O-N 3.23Å
55F78.1Confident72.4Confident138 Ų13879.7 Ų79.761%0.60543%0.43SS*.Hα-helixtrans-65.6-44.5178-168.3-96000111.8L51 A52 A53 C58 Y59L51-F55 WeakPolarHBondContact O-CB 3.33Å; L51-F55 PolarHBondContact O-N 3.27Å; A52-F55 PolarHBondContact O-N 3.35Å; A53-F55 VanDerWaalsContact C-N 3.32Å; A53-F55 PolarHBondContact O-N 3.04Å; F55-C58 PolarHBondContact O-N 2.03Å; F55-Y59 VanDerWaalsContact O-CB 3.26Å; F55-Y59 WeakPolarHBondContact O-CB 2.95Å; F55-Y59 PolarHBondContact O-N 2.96Å
56L78.7Confident71.4Confident105 Ų10578.4 Ų78.455%0.5542%0.42SS..Hα-helixtrans-63.4-47.1176.2-80.8168.1000112A52 A53 C58 Y59 S60A52-L56 WeakPolarHBondContact O-CB 3.37Å; A52-L56 WeakPolarHBondContact O-CG 3.3Å; A52-L56 PolarHBondContact O-N 2.85Å; A53-L56 PolarHBondContact O-N 3.28Å; L56-C58 PolarHBondContact O-N 3.34Å; L56-Y59 PolarHBondContact O-N 3.03Å; L56-S60 VanDerWaalsContact O-CB 3.27Å; L56-S60 WeakPolarHBondContact O-CB 3.28Å; L56-S60 PolarHBondContact O-N 3.13Å; L56-S60 PolarHBondContact O-OG 3.27Å
57I73.4Confident70.4Confident73 Ų7380.2 Ų80.237%0.37443%0.427SS..Hα-helixtrans-59.1-41.2177.5-69.2162.4000110.2A53 C61 W62A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 WeakPolarHBondContact O-CD1 3.41Å; A53-I57 WeakPolarHBondContact O-CG1 3.18Å; A53-I57 PolarHBondContact O-N 2.62Å; I57-C61 PolarHBondContact O-N 3.33Å; I57-W62 PolarHBondContact O-N 3.32Å
58C73.6Confident69.3Low31 Ų3188 Ų8821%0.20945%0.454CS..Hα-helixtrans-70.3-44.3178.6-1600000113.1L54 F55 L56 S60 C61 C65L54-C58 WeakPolarHBondContact O-CB 2.99Å; L54-C58 PolarHBondContact O-N 3.23Å; F55-C58 PolarHBondContact O-N 2.03Å; L56-C58 PolarHBondContact O-N 3.34Å; C58-S60 VanDerWaalsContact C-N 3.34Å; C58-C61 PolarHBondContact O-N 3.18Å; C58-C65 WeakPolarHBondContact CA-SG 3.48Å; C58-C65 HydrophobicContact CB-CB 4.05Å; C58-C65 WeakPolarHBondContact CB-SG 3.12Å; C58-C65 WeakPolarHBondContact SG-CB 3.27Å; C58-C65 CovalentContact SG-SG 2.03Å; C58-C65 PolarHBondContact SG-SG 3.15Å
59Y74.4Confident68.2Low188 Ų18890.4 Ų90.474%0.73746%0.461SS*.Hα-helixtrans-67.4-35.8-179.1-169.9-97.6000112.2F55 L56 C61F55-Y59 VanDerWaalsContact O-CB 3.26Å; F55-Y59 WeakPolarHBondContact O-CB 2.95Å; F55-Y59 PolarHBondContact O-N 2.96Å; L56-Y59 PolarHBondContact O-N 3.03Å; Y59-C61 VanDerWaalsContact C-N 3.28Å; Y59-C61 PolarHBondContact O-N 3.16Å
60S72.4Confident67.2Low68 Ų6889.9 Ų89.948%0.47646%0.461SS..THydrogen-bonded Turntrans-81-2.1177.7-63.50000113.9L56 C58 W62L56-S60 VanDerWaalsContact O-CB 3.27Å; L56-S60 WeakPolarHBondContact O-CB 3.28Å; L56-S60 PolarHBondContact O-N 3.13Å; L56-S60 PolarHBondContact O-OG 3.27Å; C58-S60 VanDerWaalsContact C-N 3.34Å; S60-W62 PolarHBondContact O-N 3.34Å
61C67.7Low66.3Low53 Ų5393 Ų9336%0.35849%0.485SS..THydrogen-bonded Turntrans45.230.1-170.5-700000113.3I57 C58 Y59 G63 C70I57-C61 PolarHBondContact O-N 3.33Å; C58-C61 PolarHBondContact O-N 3.18Å; Y59-C61 VanDerWaalsContact C-N 3.28Å; Y59-C61 PolarHBondContact O-N 3.16Å; C61-G63 CarbonylContact C-O 3.54Å; C61-G63 PolarHBondContact O-N 3.12Å; C61-C70 HydrophobicContact CB-CB 3.78Å; C61-C70 WeakPolarHBondContact CB-SG 3.05Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.05Å; C61-C70 PolarHBondContact SG-SG 3.45Å
62W58.9Low65.1Low211 Ų21195.6 Ų95.680%0.79950%0.499SS*.  trans-84.853.8-169.3-167.1-13.6000111.7I57 S60I57-W62 PolarHBondContact O-N 3.32Å; S60-W62 PolarHBondContact O-N 3.34Å
63G58.2Low63.2Low47 Ų4798.9 Ų98.949%0.48552%0.52SS..SBendtrans136.2169.1-169.100000108.7C61 C65C61-G63 CarbonylContact C-O 3.54Å; C61-G63 PolarHBondContact O-N 3.12Å; G63-C65 VanDerWaalsContact C-N 3.27Å; G63-C65 PolarHBondContact O-N 3.37Å
64N57.5Low61.9Low112 Ų112103.2 Ų103.260%0.59954%0.544SS*.  trans-57.997.4170.9-74.438.4000107.5W22 F66W22-N64 HydrophobicContact CE3-CB 4.37Å; W22-N64 WeakPolarHBondContact CH2-ND2 3.36Å; W22-N64 HydrophobicContact CZ3-CB 3.64Å; W22-N64 WeakPolarHBondContact CZ3-ND2 3.49Å; N64-F66 PolarHBondContact O-N 3.3Å
65C60.1Low60.3Low17 Ų17108.3 Ų108.312%0.11557%0.571CS.*  trans-60.2118.1171.3178.50000105.8C58 G63 L67 Y68C58-C65 WeakPolarHBondContact CA-SG 3.48Å; C58-C65 HydrophobicContact CB-CB 4.05Å; C58-C65 WeakPolarHBondContact CB-SG 3.12Å; C58-C65 WeakPolarHBondContact SG-CB 3.27Å; C58-C65 CovalentContact SG-SG 2.03Å; C58-C65 PolarHBondContact SG-SG 3.15Å; G63-C65 VanDerWaalsContact C-N 3.27Å; G63-C65 PolarHBondContact O-N 3.37Å; C65-L67 PolarHBondContact O-N 3.23Å; C65-L67 PolarHBondContact SG-N 2.71Å; C65-Y68 PolarHBondContact O-N 2.87Å; C65-Y68 VanDerWaalsContact O-O 3.13Å
66F57.6Low58.6Low96 Ų96106.5 Ų106.542%0.42157%0.573SS.*THydrogen-bonded Turntrans-48.1-33.2176.2-78.1-69000112.4S26 N64S26-F66 VanDerWaalsContact CB-C 3.5Å; S26-F66 VanDerWaalsContact CB-CB 3.46Å; S26-F66 WeakPolarHBondContact CB-O 3.47Å; S26-F66 PolarHBondContact OG-O 2.88Å; N64-F66 PolarHBondContact O-N 3.3Å
67L54.2Low57Low73 Ų73110.3 Ų110.338%0.38259%0.588SS.*THydrogen-bonded Turntrans-93.8-22.1-174.5-55.7-177.6000114.9F23 M27 C65F23-L67 VanDerWaalsContact CE2-O 3.3Å; F23-L67 WeakPolarHBondContact CE2-O 3.22Å; M27-L67 HydrophobicContact CE-CD2 3.76Å; M27-L67 HydrophobicContact CG-CD2 4.28Å; M27-L67 HydrophobicContact SD-CD2 3.66Å; C65-L67 PolarHBondContact O-N 3.23Å; C65-L67 PolarHBondContact SG-N 2.71Å
68Y49.5Very low55.6Low184 Ų184112.7 Ų112.772%0.72261%0.611SS**  trans-147.4131.4-175.3-126.3-96.9000111.8C65 C70C65-Y68 PolarHBondContact O-N 2.87Å; C65-Y68 VanDerWaalsContact O-O 3.13Å; Y68-C70 PolarHBondContact O-N 2.95Å
69H55.3Low54Low159 Ų159115.1 Ų115.174%0.73663%0.633SS**  trans-69.5112.7165.8-139-87.4000106.5S71H69-S71 PolarHBondContact O-N 2.05Å
70C59.3Low52.6Low82 Ų82114.1 Ų114.155%0.55464%0.635SS**  trans-72.487.8174-150.80000107.1C61 Y68C61-C70 HydrophobicContact CB-CB 3.78Å; C61-C70 WeakPolarHBondContact CB-SG 3.05Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.05Å; C61-C70 PolarHBondContact SG-SG 3.45Å; Y68-C70 PolarHBondContact O-N 2.95Å
71S54.1Low51.3Low83 Ų83117.2 Ų117.258%0.5865%0.646SS**  trans-90.6117.8170.4-73.10000107.9H69H69-S71 PolarHBondContact O-N 2.05Å
72D51.1Low50.2Low144 Ų144120.2 Ų120.277%0.7767%0.665SS**  trans7196.6163-53.7-62.7000117.8
73S41.5Very low49.1Very low115 Ų115113.4 Ų113.480%0.80466%0.661SS**  trans-161.9103141.2-77.80000110.2L75S73-L75 PolarHBondContact O-N 3.18Å
74P50.8Low48.2Very low130 Ų130117.4 Ų117.484%0.84468%0.675SS**  trans-74.3103169.829.2-28.2000108.5
75L40Very low47.1Very low166 Ų166119 Ų11987%0.86969%0.688SS**  trans-144.3137.7159.6-119.7128.5000110.4S73S73-L75 PolarHBondContact O-N 3.18Å
76P43.2Very low46Very low100 Ų100120.8 Ų120.865%0.64971%0.71SS**  trans-100.3158.7-141.636.1-27.2000112.9
77E44.1Very low45Very low184 Ų184126.2 Ų126.286%0.8675%0.752SS**  trans53.984.8149.6-70.6-173.781.100118.4
78S43.9Very low44.6Very low123 Ų123128.9 Ų128.986%0.8677%0.77SS**  -149.471.3127.7-170.90000107.1
79A40.6Very low44.3Very low82 Ų82126 Ų12668%0.67877%0.773SS**  61.676.890.300000113.2
80H45.7Very low43.7Very low167 Ų167124.2 Ų124.277%0.77378%0.775SS**  trans169.5130.2137.7-102.6-33.4000108
81D44.3Very low42.8Very low133 Ų133126.6 Ų126.671%0.71179%0.788SS**  cis-169153.4-0.4-156.7-111.8000104.2
82P43.8Very low42.1Very low117 Ų117129.4 Ų129.476%0.7680%0.801SS**  trans-85.9124.5-158.932.7-25.9000111.7
83G37.3Very low41.5Very low68 Ų68128.4 Ų128.470%0.70180%0.803SS**  trans-138.2111.5168.900000110.3
84V38.4Very low41.5Very low131 Ų131129.4 Ų129.479%0.79480%0.803SS**  trans90.168.8171.5-165.90000114.8G86V84-G86 PolarHBondContact O-N 3.3Å
85V35.2Very low40.8Very low144 Ų144129.3 Ų129.387%0.87380%0.8SS**  trans-47.3113.4134.2165.70000108.3
86G36.7Very low40.8Very low56 Ų56126.3 Ų126.358%0.57779%0.794SS**  trans-124.3103.3163.100000107V84V84-G86 PolarHBondContact O-N 3.3Å
87T37Very low40.6Very low210 Ų210128.6 Ų128.6100%1.28881%0.807SS**  trans63.70168.962.30000117.8

Retrieved 87 of 87 residues in 22.3 ms (Link to these results)