A0A087XM28_POEFO Loading...

Gamma-secretase subunit PEN-2

AlphaFold DB , UniProt , Accession A0A087XM28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 101 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
1M59.6Low82Confident167 Ų16793.2 Ų93.282%0.82345%0.446SS*.  01310-143.6173.2-178.500107.7L3 L6 W36M1-L3 PolarHBondContact O-N 2.97Å; M1-L6 HydrophobicContact CE-CD2 4.42Å; M1-W36 HydrophobicContact CB-CH2 3.9Å; M1-W36 HydrophobicContact CB-CZ2 3.82Å; M1-W36 WeakPolarHBondContact O-CZ2 3.36Å
2N76.9Confident82.8Confident99 Ų9986.3 Ų86.353%0.52941%0.413SS..  trans-83.8107.7179.4-74.6-42.5000109.5E4 R5N2-E4 PolarHBondContact O-N 3Å; N2-R5 HydrophobicContact CB-CG 4.12Å; N2-R5 PolarHBondContact O-N 3.12Å; N2-R5 VanDerWaalsContact O-N 3.17Å
3L76.4Confident83.7Confident18 Ų1885.1 Ų85.19%0.09442%0.415CS..G310 helixtrans-57.1-32.5178.7-81.6163.2000112.1M1 R5 L6 K11 W36 F37M1-L3 PolarHBondContact O-N 2.97Å; L3-R5 PolarHBondContact O-N 3.37Å; L3-L6 HydrophobicContact CD2-CD1 4.46Å; L3-L6 PolarHBondContact O-N 3.26Å; L3-L6 VanDerWaalsContact O-N 3.11Å; L3-K11 HydrophobicContact CD2-CG 4.34Å; L3-K11 WeakPolarHBondContact O-CE 3.35Å; L3-W36 HydrophobicContact CD1-CD2 3.93Å; L3-W36 HydrophobicContact CD1-CG 3.7Å; L3-W36 VanDerWaalsContact CD1-O 3.23Å; L3-W36 WeakPolarHBondContact CD1-O 3.5Å; L3-W36 HydrophobicContact CG-CD2 4.33Å; L3-W36 HydrophobicContact CG-CZ2 4.18Å; L3-F37 HydrophobicContact CD2-CD1 4.38Å; L3-F37 HydrophobicContact CD2-CE1 3.71Å; L3-F37 HydrophobicContact CD2-CZ 3.98Å
4E76.9Confident84.4Confident158 Ų15881.7 Ų81.774%0.73840%0.399SS*.G310 helixtrans-64.2-22.3-178.4-62.2-176.4159.300113.9N2N2-E4 PolarHBondContact O-N 3Å
5R83.6Confident85Confident206 Ų20676.3 Ų76.378%0.77737%0.373SS*.G310 helixtrans-87.2-7.5178.8-61.9-174.9-179.5175.3-2.2113.3N2 L3N2-R5 HydrophobicContact CB-CG 4.12Å; N2-R5 PolarHBondContact O-N 3.12Å; N2-R5 VanDerWaalsContact O-N 3.17Å; L3-R5 PolarHBondContact O-N 3.37Å
6L85Confident85.6Confident29 Ų2978.9 Ų78.915%0.15238%0.377CS..SBendtrans-93140.8-178.1-62.7175.2000110.9M1 L3 E10 K11 L14M1-L6 HydrophobicContact CE-CD2 4.42Å; L3-L6 HydrophobicContact CD2-CD1 4.46Å; L3-L6 PolarHBondContact O-N 3.26Å; L3-L6 VanDerWaalsContact O-N 3.11Å; L6-E10 WeakPolarHBondContact CD2-OE2 3.47Å; L6-K11 HydrophobicContact CB-CG 4.11Å; L6-K11 VanDerWaalsContact O-CE 3.27Å; L6-K11 WeakPolarHBondContact O-CE 3.43Å; L6-L14 HydrophobicContact CD1-CD2 4.39Å
7P87.4Confident86.2Confident69 Ų6982.6 Ų82.645%0.44839%0.391SS..  trans-64.3153.9170.127.6-32.1000110.7E9 E10 K11P7-E9 VanDerWaalsContact C-N 3.28Å; P7-E9 PolarHBondContact O-N 3.11Å; P7-E10 HydrophobicContact CG-CB 3.92Å; P7-E10 VanDerWaalsContact CG-CD 3.46Å; P7-E10 HydrophobicContact CG-CG 3.69Å; P7-E10 PolarHBondContact O-N 3.43Å; P7-E10 VanDerWaalsContact O-N 3.12Å; P7-K11 PolarHBondContact O-N 3.21Å; P7-K11 VanDerWaalsContact O-N 3.15Å
8N86.9Confident86.6Confident58 Ų5881.4 Ų81.431%0.3138%0.383SS..Hα-helixtrans-62.1-33.8-172.8-66.8-20.9000113.3K11 L12 F47 E49N8-K11 WeakPolarHBondContact O-CB 3.2Å; N8-K11 PolarHBondContact O-N 3.03Å; N8-L12 PolarHBondContact O-N 3.47Å; N8-F47 HydrophobicContact CB-CD2 4.14Å; N8-F47 HydrophobicContact CB-CE2 4.13Å; N8-E49 WeakPolarHBondContact CB-OE2 3.23Å
9E89.1Confident87Confident107 Ų10779.4 Ų79.450%0.537%0.372SS..Hα-helixtrans-64.8-38.3175.6-69.7-63.6165.900113P7 L12 T13 E49P7-E9 VanDerWaalsContact C-N 3.28Å; P7-E9 PolarHBondContact O-N 3.11Å; E9-L12 PolarHBondContact O-N 2.92Å; E9-T13 PolarHBondContact O-N 3.31Å; E9-T13 PolarHBondContact O-OG1 2.9Å; E9-E49 WeakPolarHBondContact OE1-CG 3.27Å; E9-E49 VanDerWaalsContact OE1-OE1 3.12Å
10E90.2Very high87.4Confident107 Ų10781.5 Ų81.550%0.539%0.385SS..Hα-helixtrans-69.1-37.7175.4-76.7-179.5-158.100111.2L6 P7 L12 T13 L14L6-E10 WeakPolarHBondContact CD2-OE2 3.47Å; P7-E10 HydrophobicContact CG-CB 3.92Å; P7-E10 VanDerWaalsContact CG-CD 3.46Å; P7-E10 HydrophobicContact CG-CG 3.69Å; P7-E10 PolarHBondContact O-N 3.43Å; P7-E10 VanDerWaalsContact O-N 3.12Å; E10-L12 VanDerWaalsContact C-N 3.33Å; E10-L12 PolarHBondContact O-N 3.02Å; E10-T13 PolarHBondContact O-N 3.3Å; E10-L14 VanDerWaalsContact O-CB 3.27Å; E10-L14 WeakPolarHBondContact O-CB 3.4Å; E10-L14 PolarHBondContact O-N 3.19Å
11K89.8Confident87.7Confident7 Ų778.8 Ų78.83%0.0338%0.379CS..Hα-helixtrans-59.7-44.5172.8-67.2177.5-174.9171.60111.5L3 L6 P7 N8 L14 C15 F37 E40 I53L3-K11 HydrophobicContact CD2-CG 4.34Å; L3-K11 WeakPolarHBondContact O-CE 3.35Å; L6-K11 HydrophobicContact CB-CG 4.11Å; L6-K11 VanDerWaalsContact O-CE 3.27Å; L6-K11 WeakPolarHBondContact O-CE 3.43Å; P7-K11 PolarHBondContact O-N 3.21Å; P7-K11 VanDerWaalsContact O-N 3.15Å; N8-K11 WeakPolarHBondContact O-CB 3.2Å; N8-K11 PolarHBondContact O-N 3.03Å; K11-L14 PolarHBondContact O-N 3.39Å; K11-C15 WeakPolarHBondContact O-CB 3.38Å; K11-C15 PolarHBondContact O-N 3.39Å; K11-F37 HydrophobicContact CB-CE1 4.04Å; K11-F37 VanDerWaalsContact O-CE1 3.32Å; K11-F37 WeakPolarHBondContact O-CE1 3.27Å; K11-E40 HydrophobicContact CD-CG 4.5Å; K11-E40 WeakPolarHBondContact CE-OE1 3.32Å; K11-E40 IonicContact NZ-OE1 2.9Å; K11-E40 PolarHBondContact NZ-OE1 2.84Å; K11-E40 IonicContact NZ-OE2 3.3Å; K11-E40 PolarHBondContact NZ-OE2 3.32Å; K11-I53 HydrophobicContact CB-CD1 4.31Å
12L91.9Very high89.3Confident10 Ų1070.9 Ų70.95%0.05234%0.34CS..Hα-helixtrans-61.4-47.7176.7175.464.4000111.2N8 E9 E10 L14 C15 R16 E49 Q52 I53 Y56N8-L12 PolarHBondContact O-N 3.47Å; E9-L12 PolarHBondContact O-N 2.92Å; E10-L12 VanDerWaalsContact C-N 3.33Å; E10-L12 PolarHBondContact O-N 3.02Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.89Å; L12-C15 PolarHBondContact O-N 3.15Å; L12-R16 WeakPolarHBondContact O-CB 3.12Å; L12-R16 PolarHBondContact O-N 3.3Å; L12-E49 HydrophobicContact CB-CB 4.41Å; L12-E49 HydrophobicContact CD2-CB 4.21Å; L12-E49 HydrophobicContact CD2-CG 4.25Å; L12-Q52 HydrophobicContact CD1-CB 3.65Å; L12-I53 HydrophobicContact CB-CD1 4.47Å; L12-I53 HydrophobicContact CB-CG1 4.34Å; L12-I53 HydrophobicContact CD1-CG1 3.87Å; L12-Y56 HydrophobicContact CD1-CD2 4.17Å; L12-Y56 HydrophobicContact CD1-CE2 4.06Å
13T93.9Very high90.1Very high71 Ų7171.7 Ų71.744%0.43634%0.339SS..Hα-helixtrans-60.6-42.4178.5-60.90000111.3E9 E10 R16 K17E9-T13 PolarHBondContact O-N 3.31Å; E9-T13 PolarHBondContact O-OG1 2.9Å; E10-T13 PolarHBondContact O-N 3.3Å; T13-R16 PolarHBondContact O-N 3.18Å; T13-K17 HydrophobicContact CG2-CD 4.42Å; T13-K17 WeakPolarHBondContact O-CG 3.26Å; T13-K17 PolarHBondContact O-N 2.84Å
14L93.6Very high91Very high38 Ų3874.1 Ų74.120%0.19936%0.362CS..Hα-helixtrans-64.5-47.6177.2-169.364.6000111.1L6 E10 K11 L12 R16 K17 Y18 W36 F37L6-L14 HydrophobicContact CD1-CD2 4.39Å; E10-L14 VanDerWaalsContact O-CB 3.27Å; E10-L14 WeakPolarHBondContact O-CB 3.4Å; E10-L14 PolarHBondContact O-N 3.19Å; K11-L14 PolarHBondContact O-N 3.39Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.89Å; L14-R16 VanDerWaalsContact C-N 3.3Å; L14-R16 PolarHBondContact O-N 3.48Å; L14-K17 PolarHBondContact O-N 3.28Å; L14-K17 VanDerWaalsContact O-N 3.17Å; L14-Y18 HydrophobicContact CD1-CD2 4.02Å; L14-Y18 HydrophobicContact CD1-CE2 3.55Å; L14-Y18 HydrophobicContact CG-CD2 4.14Å; L14-Y18 HydrophobicContact CG-CE2 3.92Å; L14-Y18 VanDerWaalsContact O-CD2 3.23Å; L14-Y18 WeakPolarHBondContact O-CD2 3.47Å; L14-Y18 PolarHBondContact O-N 3.14Å; L14-W36 HydrophobicContact CD2-CH2 4.16Å; L14-W36 HydrophobicContact CD2-CZ3 3.85Å; L14-F37 HydrophobicContact CB-CZ 3.97Å; L14-F37 HydrophobicContact CD2-CZ 3.96Å; L14-F37 HydrophobicContact CG-CZ 3.97Å
15C94Very high91.7Very high0 Ų072.5 Ų72.50%036%0.357CS..Hα-helixtrans-58.8-40.7176.5-1740000112.1K11 L12 Y18 Y19 N33 F37K11-C15 WeakPolarHBondContact O-CB 3.38Å; K11-C15 PolarHBondContact O-N 3.39Å; L12-C15 PolarHBondContact O-N 3.15Å; C15-Y18 PolarHBondContact O-N 3.39Å; C15-Y19 WeakPolarHBondContact O-CB 2.88Å; C15-Y19 PolarHBondContact O-N 2.9Å; C15-N33 PolarHBondContact O-ND2 3.17Å; C15-N33 PolarHBondContact SG-OD1 3.22Å; C15-N33 VanDerWaalsContact SG-OD1 3.4Å; C15-F37 HydrophobicContact CB-CD1 4.12Å; C15-F37 HydrophobicContact CB-CD2 4.1Å; C15-F37 HydrophobicContact CB-CE1 4Å; C15-F37 HydrophobicContact CB-CE2 3.97Å; C15-F37 HydrophobicContact CB-CG 4.17Å; C15-F37 HydrophobicContact CB-CZ 3.91Å
16R94.6Very high92.2Very high119 Ų11967 Ų6745%0.44934%0.343SS..Hα-helixtrans-64.9-43.5175.6-174.4-176-68.3-1792112.1L12 T13 L14 Y19 L20 Y56L12-R16 WeakPolarHBondContact O-CB 3.12Å; L12-R16 PolarHBondContact O-N 3.3Å; T13-R16 PolarHBondContact O-N 3.18Å; L14-R16 VanDerWaalsContact C-N 3.3Å; L14-R16 PolarHBondContact O-N 3.48Å; R16-Y19 PolarHBondContact O-N 2.96Å; R16-L20 WeakPolarHBondContact O-CB 3.49Å; R16-L20 PolarHBondContact O-N 3.33Å; R16-Y56 HydrophobicContact CG-CE1 4.29Å; R16-Y56 PolarHBondContact NE-OH 3.46Å
17K94.9Very high92.6Very high141 Ų14167 Ų6761%0.61335%0.345SS*.Hα-helixtrans-61.8-43.3177.2-76.2177.1179.1179.80111.7T13 L14 L20 G21T13-K17 HydrophobicContact CG2-CD 4.42Å; T13-K17 WeakPolarHBondContact O-CG 3.26Å; T13-K17 PolarHBondContact O-N 2.84Å; L14-K17 PolarHBondContact O-N 3.28Å; L14-K17 VanDerWaalsContact O-N 3.17Å; K17-L20 PolarHBondContact O-N 3.17Å; K17-G21 PolarHBondContact O-N 3.41Å
18Y93.8Very high92.9Very high62 Ų6270.9 Ų70.924%0.24336%0.355CS..Hα-helixtrans-65.9-40.7176.9-85.2-116.8000111.8L14 C15 G21 G22 L29 V32 N33 W36L14-Y18 HydrophobicContact CD1-CD2 4.02Å; L14-Y18 HydrophobicContact CD1-CE2 3.55Å; L14-Y18 HydrophobicContact CG-CD2 4.14Å; L14-Y18 HydrophobicContact CG-CE2 3.92Å; L14-Y18 VanDerWaalsContact O-CD2 3.23Å; L14-Y18 WeakPolarHBondContact O-CD2 3.47Å; L14-Y18 PolarHBondContact O-N 3.14Å; C15-Y18 PolarHBondContact O-N 3.39Å; Y18-G21 PolarHBondContact O-N 3.01Å; Y18-G22 PolarHBondContact O-N 3.06Å; Y18-G22 VanDerWaalsContact O-N 3.12Å; Y18-L29 HydrophobicContact CD1-CD1 3.55Å; Y18-L29 HydrophobicContact CD1-CG 4.16Å; Y18-L29 HydrophobicContact CE1-CD1 3.73Å; Y18-L29 HydrophobicContact CG-CD1 4.3Å; Y18-V32 HydrophobicContact CD1-CG1 4.28Å; Y18-V32 HydrophobicContact CE1-CG1 3.8Å; Y18-N33 HydrophobicContact CD1-CB 4.4Å; Y18-W36 HydrophobicContact CE1-CZ3 4.49Å; Y18-W36 AromaticContact CZ-CZ3 3.99Å
19Y94.6Very high93.3Very high43 Ų4370.3 Ų70.317%0.16935%0.352CS..Hα-helixtrans-60.1-48.5173.5171.3-112.8000111.9C15 R16 G22 F23 W30 Y56 R59 S60C15-Y19 WeakPolarHBondContact O-CB 2.88Å; C15-Y19 PolarHBondContact O-N 2.9Å; R16-Y19 PolarHBondContact O-N 2.96Å; Y19-G22 PolarHBondContact O-N 3.42Å; Y19-F23 HydrophobicContact CD1-CE2 4.3Å; Y19-F23 HydrophobicContact CD2-CE2 4.29Å; Y19-F23 AromaticContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CZ 4.39Å; Y19-F23 AromaticContact CE2-CE2 3.75Å; Y19-F23 HydrophobicContact CE2-CE2 3.75Å; Y19-F23 HydrophobicContact CE2-CZ 4.04Å; Y19-F23 AromaticContact CZ-CE2 3.48Å; Y19-F23 VanDerWaalsContact CZ-CE2 3.48Å; Y19-F23 AromaticContact CZ-CZ 3.73Å; Y19-F23 WeakPolarHBondContact O-CD2 3.12Å; Y19-F23 WeakPolarHBondContact OH-CZ 3.38Å; Y19-W30 AromaticContact CD2-NE1 3.88Å; Y19-W30 PolarHBondContact O-NE1 3.26Å; Y19-Y56 AromaticContact CD1-CD1 3.56Å; Y19-Y56 HydrophobicContact CD1-CD1 3.56Å; Y19-Y56 AromaticContact CD1-CE1 3.8Å; Y19-Y56 HydrophobicContact CD1-CE1 3.8Å; Y19-Y56 HydrophobicContact CE1-CD1 4.07Å; Y19-Y56 HydrophobicContact CE1-CE1 4.14Å; Y19-Y56 AromaticContact CG-CD1 3.87Å; Y19-Y56 HydrophobicContact CG-CD1 3.87Å; Y19-R59 HydrophobicContact CD2-CB 4.44Å; Y19-R59 HydrophobicContact CE2-CB 3.72Å; Y19-S60 WeakPolarHBondContact CD2-OG 3.45Å
20L94.8Very high93.6Very high121 Ų12165.8 Ų65.863%0.63433%0.33SS*.Hα-helixtrans-66.1-41.7179.4-17265.5000111.7R16 K17 G22 F23R16-L20 WeakPolarHBondContact O-CB 3.49Å; R16-L20 PolarHBondContact O-N 3.33Å; K17-L20 PolarHBondContact O-N 3.17Å; L20-G22 PolarHBondContact O-N 2.97Å; L20-F23 HydrophobicContact CD1-CD2 4.48Å; L20-F23 WeakPolarHBondContact O-CB 3.4Å; L20-F23 PolarHBondContact O-N 3.34Å; L20-F23 VanDerWaalsContact O-N 3.14Å
21G94.4Very high93.9Very high25 Ų2563.8 Ų63.826%0.25832%0.322SS..Hα-helixtrans-60.4-32.4178.100000112.9K17 Y18 F23 A24K17-G21 PolarHBondContact O-N 3.41Å; Y18-G21 PolarHBondContact O-N 3.01Å; G21-F23 PolarHBondContact O-N 3.15Å; G21-A24 WeakPolarHBondContact O-CB 3.48Å; G21-A24 PolarHBondContact O-N 3.4Å
22G92.7Very high94.2Very high0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-65.1-20.9178.800000114.1Y18 Y19 L20 A24 L25 L26 W30Y18-G22 PolarHBondContact O-N 3.06Å; Y18-G22 VanDerWaalsContact O-N 3.12Å; Y19-G22 PolarHBondContact O-N 3.42Å; L20-G22 PolarHBondContact O-N 2.97Å; G22-A24 PolarHBondContact O-N 3.11Å; G22-L25 PolarHBondContact O-N 3.26Å; G22-L26 PolarHBondContact O-N 3.29Å; G22-L26 VanDerWaalsContact O-N 3.12Å; G22-W30 VanDerWaalsContact C-CE2 3.5Å
23F93.6Very high94.3Very high116 Ų11665.3 Ų65.351%0.50933%0.332SS..THydrogen-bonded Turntrans-68.4-14.6173.2-73.1-81.8000113.6Y19 L20 G21 L25 W30Y19-F23 HydrophobicContact CD1-CE2 4.3Å; Y19-F23 HydrophobicContact CD2-CE2 4.29Å; Y19-F23 AromaticContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CZ 4.39Å; Y19-F23 AromaticContact CE2-CE2 3.75Å; Y19-F23 HydrophobicContact CE2-CE2 3.75Å; Y19-F23 HydrophobicContact CE2-CZ 4.04Å; Y19-F23 AromaticContact CZ-CE2 3.48Å; Y19-F23 VanDerWaalsContact CZ-CE2 3.48Å; Y19-F23 AromaticContact CZ-CZ 3.73Å; Y19-F23 WeakPolarHBondContact O-CD2 3.12Å; Y19-F23 WeakPolarHBondContact OH-CZ 3.38Å; L20-F23 HydrophobicContact CD1-CD2 4.48Å; L20-F23 WeakPolarHBondContact O-CB 3.4Å; L20-F23 PolarHBondContact O-N 3.34Å; L20-F23 VanDerWaalsContact O-N 3.14Å; G21-F23 PolarHBondContact O-N 3.15Å; F23-L25 PolarHBondContact O-N 2.87Å; F23-W30 HydrophobicContact CB-CZ2 4.5Å; F23-W30 HydrophobicContact CD1-CH2 4.18Å; F23-W30 AromaticContact CD1-CZ2 3.91Å; F23-W30 HydrophobicContact CD1-CZ2 3.91Å; F23-W30 AromaticContact CD2-CZ2 3.91Å; F23-W30 HydrophobicContact CD2-CZ2 3.91Å; F23-W30 HydrophobicContact CE1-CH2 4.3Å; F23-W30 HydrophobicContact CE1-CZ2 4.05Å; F23-W30 HydrophobicContact CE2-CZ2 4.05Å; F23-W30 HydrophobicContact CG-CH2 4.49Å; F23-W30 AromaticContact CG-CZ2 3.85Å; F23-W30 HydrophobicContact CG-CZ2 3.85Å; F23-W30 HydrophobicContact CZ-CZ2 4.12Å
24A95.3Very high94.4Very high70 Ų7063.1 Ų63.158%0.57932%0.319SS*.THydrogen-bonded Turntrans-76.434.4171.600000112.8G21 G22 L26G21-A24 WeakPolarHBondContact O-CB 3.48Å; G21-A24 PolarHBondContact O-N 3.4Å; G22-A24 PolarHBondContact O-N 3.11Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 HydrophobicContact CB-CD1 4.27Å; A24-L26 HydrophobicContact CB-CG 4.48Å; A24-L26 PolarHBondContact O-N 3.17Å
25L92.5Very high94.5Very high124 Ų12466 Ų6665%0.64934%0.338SS*.THydrogen-bonded Turntrans60.635.7-176.3-43.3178.3000113.3G22 F23 P27 W67G22-L25 PolarHBondContact O-N 3.26Å; F23-L25 PolarHBondContact O-N 2.87Å; L25-P27 VanDerWaalsContact C-CD 3.42Å; L25-P27 WeakPolarHBondContact O-CD 3.23Å; L25-W67 HydrophobicContact CB-CH2 4.43Å; L25-W67 HydrophobicContact CB-CZ2 4.24Å; L25-W67 HydrophobicContact CD2-CH2 3.64Å; L25-W67 HydrophobicContact CD2-CZ2 3.41Å; L25-W67 VanDerWaalsContact CD2-CZ2 3.41Å; L25-W67 HydrophobicContact CG-CZ2 4.42Å
26L94.4Very high94.4Very high90 Ų9069.5 Ų69.547%0.47135%0.351SS..  trans-113.574.4-176.3-64.6172.5000111G22 A24 F28 L29 W30G22-L26 PolarHBondContact O-N 3.29Å; G22-L26 VanDerWaalsContact O-N 3.12Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 HydrophobicContact CB-CD1 4.27Å; A24-L26 HydrophobicContact CB-CG 4.48Å; A24-L26 PolarHBondContact O-N 3.17Å; L26-F28 PolarHBondContact O-N 3.48Å; L26-L29 HydrophobicContact CB-CB 3.86Å; L26-L29 HydrophobicContact CD1-CD2 4.24Å; L26-L29 WeakPolarHBondContact O-CB 3.45Å; L26-L29 PolarHBondContact O-N 2.99Å; L26-W30 PolarHBondContact O-N 3.3Å
27P92.1Very high94.4Very high29 Ų2963.9 Ų63.919%0.18833%0.33CS..Hα-helixtrans-61.2-33.6179.623.6-32.7000112.5L25 L29 W30 L31 L64 W67 L71L25-P27 VanDerWaalsContact C-CD 3.42Å; L25-P27 WeakPolarHBondContact O-CD 3.23Å; P27-L29 PolarHBondContact O-N 3.4Å; P27-W30 WeakPolarHBondContact O-CB 3.23Å; P27-W30 PolarHBondContact O-N 2.89Å; P27-W30 VanDerWaalsContact O-N 3.13Å; P27-L31 PolarHBondContact O-N 2.7Å; P27-L64 HydrophobicContact CB-CD1 4.17Å; P27-L64 WeakPolarHBondContact O-CD1 3.41Å; P27-W67 HydrophobicContact CB-CB 3.59Å; P27-W67 HydrophobicContact CB-CG 3.76Å; P27-W67 HydrophobicContact CG-CB 4.17Å; P27-W67 HydrophobicContact CG-CG 4.17Å; P27-L71 HydrophobicContact CG-CD1 4.37Å
28F94Very high94.3Very high150 Ų15061.9 Ų61.966%0.65832%0.321SS*.Hα-helixtrans-62.8-31.4176.6-166.5-103.5000112.3L26 L31 V32L26-F28 PolarHBondContact O-N 3.48Å; F28-L31 HydrophobicContact CD2-CD2 4Å; F28-L31 HydrophobicContact CE2-CD2 3.97Å; F28-L31 WeakPolarHBondContact O-CB 3.17Å; F28-L31 PolarHBondContact O-N 3Å; F28-V32 HydrophobicContact CD1-CG2 4.17Å; F28-V32 HydrophobicContact CE1-CG2 3.93Å; F28-V32 WeakPolarHBondContact O-CG2 3.35Å; F28-V32 PolarHBondContact O-N 3.45Å
29L94.7Very high94.1Very high47 Ų4765.9 Ų65.925%0.24634%0.34CS..Hα-helixtrans-68.6-38.1175.7-170.264.3000111.5Y18 L26 P27 V32 N33Y18-L29 HydrophobicContact CD1-CD1 3.55Å; Y18-L29 HydrophobicContact CD1-CG 4.16Å; Y18-L29 HydrophobicContact CE1-CD1 3.73Å; Y18-L29 HydrophobicContact CG-CD1 4.3Å; L26-L29 HydrophobicContact CB-CB 3.86Å; L26-L29 HydrophobicContact CD1-CD2 4.24Å; L26-L29 WeakPolarHBondContact O-CB 3.45Å; L26-L29 PolarHBondContact O-N 2.99Å; P27-L29 PolarHBondContact O-N 3.4Å; L29-V32 PolarHBondContact O-N 3.3Å; L29-N33 PolarHBondContact O-N 3.34Å
30W96.5Very high93.9Very high12 Ų1264.1 Ų64.15%0.04533%0.333CS..Hα-helixtrans-63.5-39.4170.4-75.2-28.2000112.2Y19 G22 F23 L26 P27 N33 V34 G63 L64 W67Y19-W30 AromaticContact CD2-NE1 3.88Å; Y19-W30 PolarHBondContact O-NE1 3.26Å; G22-W30 VanDerWaalsContact C-CE2 3.5Å; F23-W30 HydrophobicContact CB-CZ2 4.5Å; F23-W30 HydrophobicContact CD1-CH2 4.18Å; F23-W30 AromaticContact CD1-CZ2 3.91Å; F23-W30 HydrophobicContact CD1-CZ2 3.91Å; F23-W30 AromaticContact CD2-CZ2 3.91Å; F23-W30 HydrophobicContact CD2-CZ2 3.91Å; F23-W30 HydrophobicContact CE1-CH2 4.3Å; F23-W30 HydrophobicContact CE1-CZ2 4.05Å; F23-W30 HydrophobicContact CE2-CZ2 4.05Å; F23-W30 HydrophobicContact CG-CH2 4.49Å; F23-W30 AromaticContact CG-CZ2 3.85Å; F23-W30 HydrophobicContact CG-CZ2 3.85Å; F23-W30 HydrophobicContact CZ-CZ2 4.12Å; L26-W30 PolarHBondContact O-N 3.3Å; P27-W30 WeakPolarHBondContact O-CB 3.23Å; P27-W30 PolarHBondContact O-N 2.89Å; P27-W30 VanDerWaalsContact O-N 3.13Å; W30-N33 WeakPolarHBondContact O-CB 3.44Å; W30-N33 PolarHBondContact O-N 3.41Å; W30-V34 VanDerWaalsContact O-CG2 3.3Å; W30-V34 WeakPolarHBondContact O-CG2 3.47Å; W30-V34 PolarHBondContact O-N 3.21Å; W30-G63 VanDerWaalsContact CZ3-CA 3.42Å; W30-G63 WeakPolarHBondContact CZ3-O 3.34Å; W30-L64 HydrophobicContact CB-CB 4.34Å; W30-W67 AromaticContact CE3-CD1 3.69Å; W30-W67 AromaticContact CH2-NE1 3.91Å; W30-W67 AromaticContact CZ3-CD1 3.19Å; W30-W67 HydrophobicContact CZ3-CG 4.48Å; W30-W67 AromaticContact CZ3-NE1 3.37Å
31L95.8Very high93.6Very high65 Ų6558.4 Ų58.434%0.3430%0.303SS..Hα-helixtrans-59.8-48.3174176.664.5000111.7P27 F28 N33 V34 V35 L64P27-L31 PolarHBondContact O-N 2.7Å; F28-L31 HydrophobicContact CD2-CD2 4Å; F28-L31 HydrophobicContact CE2-CD2 3.97Å; F28-L31 WeakPolarHBondContact O-CB 3.17Å; F28-L31 PolarHBondContact O-N 3Å; L31-N33 VanDerWaalsContact C-N 3.3Å; L31-N33 PolarHBondContact O-N 3.27Å; L31-V34 PolarHBondContact O-N 3.12Å; L31-V35 HydrophobicContact CD1-CG2 3.99Å; L31-V35 HydrophobicContact CG-CG2 4.47Å; L31-V35 WeakPolarHBondContact O-CG2 3.33Å; L31-V35 PolarHBondContact O-N 3.37Å; L31-L64 HydrophobicContact CB-CD1 4.09Å; L31-L64 HydrophobicContact CB-CD2 3.92Å; L31-L64 HydrophobicContact CD1-CD2 3.71Å; L31-L64 HydrophobicContact CG-CD2 4.39Å
32V95.6Very high93.5Very high49 Ų4961.4 Ų61.430%0.29731%0.31SS..Hα-helixtrans-58.3-44.5176173.50000110.5Y18 F28 L29 V34 V35 W36Y18-V32 HydrophobicContact CD1-CG1 4.28Å; Y18-V32 HydrophobicContact CE1-CG1 3.8Å; F28-V32 HydrophobicContact CD1-CG2 4.17Å; F28-V32 HydrophobicContact CE1-CG2 3.93Å; F28-V32 WeakPolarHBondContact O-CG2 3.35Å; F28-V32 PolarHBondContact O-N 3.45Å; L29-V32 PolarHBondContact O-N 3.3Å; V32-V34 VanDerWaalsContact C-N 3.34Å; V32-V34 PolarHBondContact O-N 2.84Å; V32-V35 PolarHBondContact O-N 2.94Å; V32-W36 WeakPolarHBondContact O-CB 3.38Å; V32-W36 PolarHBondContact O-N 3.47Å
33N95.4Very high93.3Very high0 Ų068.1 Ų68.10%034%0.343CS..Hα-helixtrans-58-46.3176.9-162.228000111.7C15 Y18 L29 W30 L31 F37 S60C15-N33 PolarHBondContact O-ND2 3.17Å; C15-N33 PolarHBondContact SG-OD1 3.22Å; C15-N33 VanDerWaalsContact SG-OD1 3.4Å; Y18-N33 HydrophobicContact CD1-CB 4.4Å; L29-N33 PolarHBondContact O-N 3.34Å; W30-N33 WeakPolarHBondContact O-CB 3.44Å; W30-N33 PolarHBondContact O-N 3.41Å; L31-N33 VanDerWaalsContact C-N 3.3Å; L31-N33 PolarHBondContact O-N 3.27Å; N33-F37 WeakPolarHBondContact O-CB 3.41Å; N33-F37 WeakPolarHBondContact O-CD2 3.32Å; N33-F37 PolarHBondContact O-N 3.06Å; N33-F37 VanDerWaalsContact O-N 3.1Å; N33-F37 WeakPolarHBondContact OD1-CD2 3.45Å; N33-F37 WeakPolarHBondContact OD1-CE2 3.48Å; N33-S60 PolarHBondContact ND2-OG 2.96Å
34V95.5Very high93Very high24 Ų2465.9 Ų65.915%0.14533%0.332CS..Hα-helixtrans-62.5-54.9179.9172.20000110.5W30 L31 V32 W36 F38 V57 A61W30-V34 VanDerWaalsContact O-CG2 3.3Å; W30-V34 WeakPolarHBondContact O-CG2 3.47Å; W30-V34 PolarHBondContact O-N 3.21Å; L31-V34 PolarHBondContact O-N 3.12Å; V32-V34 VanDerWaalsContact C-N 3.34Å; V32-V34 PolarHBondContact O-N 2.84Å; V34-W36 PolarHBondContact O-N 3.12Å; V34-F38 WeakPolarHBondContact O-CA 3.33Å; V34-F38 WeakPolarHBondContact O-CB 3.42Å; V34-F38 PolarHBondContact O-N 2.73Å; V34-V57 HydrophobicContact CG1-CG1 4.34Å; V34-V57 HydrophobicContact CG2-CG1 4.44Å; V34-A61 HydrophobicContact CG2-CB 3.86Å
35V95.1Very high92.7Very high99 Ų9967.6 Ų67.660%0.634%0.338SS*.Hα-helixtrans-62.7-42.9-175.7173.90000111.4L31 V32L31-V35 HydrophobicContact CD1-CG2 3.99Å; L31-V35 HydrophobicContact CG-CG2 4.47Å; L31-V35 WeakPolarHBondContact O-CG2 3.33Å; L31-V35 PolarHBondContact O-N 3.37Å; V32-V35 PolarHBondContact O-N 2.94Å
36W92.9Very high92.4Very high74 Ų7467.2 Ų67.228%0.2834%0.343SS..Hα-helixtrans-74.7-38.7-172.6-154.826.7000112.4M1 L3 L14 Y18 V32 V34M1-W36 HydrophobicContact CB-CH2 3.9Å; M1-W36 HydrophobicContact CB-CZ2 3.82Å; M1-W36 WeakPolarHBondContact O-CZ2 3.36Å; L3-W36 HydrophobicContact CD1-CD2 3.93Å; L3-W36 HydrophobicContact CD1-CG 3.7Å; L3-W36 VanDerWaalsContact CD1-O 3.23Å; L3-W36 WeakPolarHBondContact CD1-O 3.5Å; L3-W36 HydrophobicContact CG-CD2 4.33Å; L3-W36 HydrophobicContact CG-CZ2 4.18Å; L14-W36 HydrophobicContact CD2-CH2 4.16Å; L14-W36 HydrophobicContact CD2-CZ3 3.85Å; Y18-W36 HydrophobicContact CE1-CZ3 4.49Å; Y18-W36 AromaticContact CZ-CZ3 3.99Å; V32-W36 WeakPolarHBondContact O-CB 3.38Å; V32-W36 PolarHBondContact O-N 3.47Å; V34-W36 PolarHBondContact O-N 3.12Å
37F93.8Very high92.1Very high0 Ų064.9 Ų64.90%033%0.329CS..Hα-helixtrans-93-2.1177.8-68.4-84000114.1L3 K11 L14 C15 N33 K39 E40 A41 I53 V57L3-F37 HydrophobicContact CD2-CD1 4.38Å; L3-F37 HydrophobicContact CD2-CE1 3.71Å; L3-F37 HydrophobicContact CD2-CZ 3.98Å; K11-F37 HydrophobicContact CB-CE1 4.04Å; K11-F37 VanDerWaalsContact O-CE1 3.32Å; K11-F37 WeakPolarHBondContact O-CE1 3.27Å; L14-F37 HydrophobicContact CB-CZ 3.97Å; L14-F37 HydrophobicContact CD2-CZ 3.96Å; L14-F37 HydrophobicContact CG-CZ 3.97Å; C15-F37 HydrophobicContact CB-CD1 4.12Å; C15-F37 HydrophobicContact CB-CD2 4.1Å; C15-F37 HydrophobicContact CB-CE1 4Å; C15-F37 HydrophobicContact CB-CE2 3.97Å; C15-F37 HydrophobicContact CB-CG 4.17Å; C15-F37 HydrophobicContact CB-CZ 3.91Å; N33-F37 WeakPolarHBondContact O-CB 3.41Å; N33-F37 WeakPolarHBondContact O-CD2 3.32Å; N33-F37 PolarHBondContact O-N 3.06Å; N33-F37 VanDerWaalsContact O-N 3.1Å; N33-F37 WeakPolarHBondContact OD1-CD2 3.45Å; N33-F37 WeakPolarHBondContact OD1-CE2 3.48Å; F37-K39 PolarHBondContact O-N 2.94Å; F37-E40 PolarHBondContact O-N 2.88Å; F37-A41 VanDerWaalsContact O-CB 3.23Å; F37-A41 WeakPolarHBondContact O-CB 3.44Å; F37-A41 PolarHBondContact O-N 3.27Å; F37-I53 HydrophobicContact CB-CG2 4.19Å; F37-I53 HydrophobicContact CD1-CG2 4.31Å; F37-V57 HydrophobicContact CB-CG2 3.67Å
38F93.6Very high91.9Very high99 Ų9969.6 Ų69.643%0.43436%0.358SS..Hα-helixtrans-57.2-46.8179.2-172.3-97.3000112.3V34 A41 F42V34-F38 WeakPolarHBondContact O-CA 3.33Å; V34-F38 WeakPolarHBondContact O-CB 3.42Å; V34-F38 PolarHBondContact O-N 2.73Å; F38-A41 PolarHBondContact O-N 2.98Å; F38-F42 AromaticContact CD2-CD2 3.51Å; F38-F42 HydrophobicContact CD2-CD2 3.51Å; F38-F42 AromaticContact CD2-CE2 3.81Å; F38-F42 HydrophobicContact CD2-CE2 3.81Å; F38-F42 AromaticContact CE2-CD2 3.52Å; F38-F42 HydrophobicContact CE2-CD2 3.52Å; F38-F42 AromaticContact CE2-CE2 3.86Å; F38-F42 HydrophobicContact CE2-CE2 3.86Å; F38-F42 HydrophobicContact CE2-CG 4.3Å; F38-F42 HydrophobicContact CG-CD2 4.04Å; F38-F42 HydrophobicContact CZ-CB 4.48Å; F38-F42 HydrophobicContact CZ-CD2 4.06Å; F38-F42 HydrophobicContact CZ-CG 4.47Å; F38-F42 WeakPolarHBondContact O-CD2 3.11Å; F38-F42 PolarHBondContact O-N 3.27Å
39K89.8Confident91.7Very high146 Ų14663.6 Ų63.664%0.63533%0.331SS*.Hα-helixtrans-64.8-42.7179.7-70.6-173.2176.5-175.80111.9F37 A41 M43 K44F37-K39 PolarHBondContact O-N 2.94Å; K39-A41 VanDerWaalsContact C-N 3.33Å; K39-M43 WeakPolarHBondContact O-CA 3.49Å; K39-M43 WeakPolarHBondContact O-CB 3.43Å; K39-M43 PolarHBondContact O-N 2.86Å; K39-K44 PolarHBondContact O-N 3.46Å
40E89Confident91.5Very high7 Ų761.7 Ų61.73%0.03332%0.321CS..Hα-helixtrans-64.6-38.7176.6-67.7-71.717800111.6K11 F37 K44 Q50K11-E40 HydrophobicContact CD-CG 4.5Å; K11-E40 WeakPolarHBondContact CE-OE1 3.32Å; K11-E40 IonicContact NZ-OE1 2.9Å; K11-E40 PolarHBondContact NZ-OE1 2.84Å; K11-E40 IonicContact NZ-OE2 3.3Å; K11-E40 PolarHBondContact NZ-OE2 3.32Å; F37-E40 PolarHBondContact O-N 2.88Å; E40-K44 VanDerWaalsContact CD-NZ 3.3Å; E40-K44 WeakPolarHBondContact OE1-CE 3.3Å; E40-K44 IonicContact OE1-NZ 2.7Å; E40-K44 PolarHBondContact OE1-NZ 2.95Å; E40-K44 WeakPolarHBondContact OE2-CD 3.47Å; E40-K44 WeakPolarHBondContact OE2-CE 3.35Å; E40-K44 IonicContact OE2-NZ 3.26Å; E40-K44 PolarHBondContact OE2-NZ 3.39Å; E40-Q50 PolarHBondContact O-NE2 3.18Å
41A89.6Confident91.3Very high0 Ų065.8 Ų65.80%035%0.348CS..Hα-helixtrans-73.2-44.8179.400000112.5F37 F38 K39 Q50 I53 K54 V57F37-A41 VanDerWaalsContact O-CB 3.23Å; F37-A41 WeakPolarHBondContact O-CB 3.44Å; F37-A41 PolarHBondContact O-N 3.27Å; F38-A41 PolarHBondContact O-N 2.98Å; K39-A41 VanDerWaalsContact C-N 3.33Å; A41-Q50 PolarHBondContact O-NE2 2.97Å; A41-I53 HydrophobicContact CB-CG2 4.22Å; A41-K54 HydrophobicContact CB-CG 3.93Å; A41-K54 WeakPolarHBondContact O-CE 3.4Å; A41-K54 WeakPolarHBondContact O-CG 3.36Å; A41-V57 HydrophobicContact CB-CG2 4.29Å
42F91.1Very high91.1Very high89 Ų8967 Ų6739%0.3935%0.352SS..Hα-helixtrans-115.8-18.7-166.6-61.4-76.3000115.4F38 K54 V57 K58F38-F42 AromaticContact CD2-CD2 3.51Å; F38-F42 HydrophobicContact CD2-CD2 3.51Å; F38-F42 AromaticContact CD2-CE2 3.81Å; F38-F42 HydrophobicContact CD2-CE2 3.81Å; F38-F42 AromaticContact CE2-CD2 3.52Å; F38-F42 HydrophobicContact CE2-CD2 3.52Å; F38-F42 AromaticContact CE2-CE2 3.86Å; F38-F42 HydrophobicContact CE2-CE2 3.86Å; F38-F42 HydrophobicContact CE2-CG 4.3Å; F38-F42 HydrophobicContact CG-CD2 4.04Å; F38-F42 HydrophobicContact CZ-CB 4.48Å; F38-F42 HydrophobicContact CZ-CD2 4.06Å; F38-F42 HydrophobicContact CZ-CG 4.47Å; F38-F42 WeakPolarHBondContact O-CD2 3.11Å; F38-F42 PolarHBondContact O-N 3.27Å; F42-K54 HydrophobicContact CE1-CG 4.38Å; F42-V57 HydrophobicContact CE2-CG1 3.98Å; F42-K58 HydrophobicContact CZ-CG 4.38Å
43M89.7Confident91Very high141 Ų14164.7 Ų64.770%0.69534%0.337SS*.THydrogen-bonded Turntrans-107.7-24.4-174.8-58.2-149.5120.800114.2K39K39-M43 WeakPolarHBondContact O-CA 3.49Å; K39-M43 WeakPolarHBondContact O-CB 3.43Å; K39-M43 PolarHBondContact O-N 2.86Å
44K87.4Confident90.9Very high68 Ų6867.7 Ų67.730%0.29635%0.351SS..SBendtrans-80.6152.2178.6-69.4-149.5-174.61680113K39 E40 Q50K39-K44 PolarHBondContact O-N 3.46Å; E40-K44 VanDerWaalsContact CD-NZ 3.3Å; E40-K44 WeakPolarHBondContact OE1-CE 3.3Å; E40-K44 IonicContact OE1-NZ 2.7Å; E40-K44 PolarHBondContact OE1-NZ 2.95Å; E40-K44 WeakPolarHBondContact OE2-CD 3.47Å; E40-K44 WeakPolarHBondContact OE2-CE 3.35Å; E40-K44 IonicContact OE2-NZ 3.26Å; E40-K44 PolarHBondContact OE2-NZ 3.39Å; K44-Q50 PolarHBondContact O-NE2 3.3Å
45P87.9Confident90.9Very high106 Ų10669.2 Ų69.269%0.68836%0.36SS*.PPolyproline II helixtrans-52.7152.2170.8-24.733.9000112.1F47P45-F47 WeakPolarHBondContact O-CD1 3.43Å; P45-F47 PolarHBondContact O-N 3.47Å
46P86.8Confident90.9Very high117 Ų11766.3 Ų66.376%0.7634%0.339SS*.PPolyproline II helixtrans-61.9132.8-178.323.8-31.6000112
47F87.4Confident91Very high41 Ų4163 Ų6318%0.1833%0.326CS..  trans-136.3162.3173.662.5-91.3000109.5N8 P45 E49 Q50 I53N8-F47 HydrophobicContact CB-CD2 4.14Å; N8-F47 HydrophobicContact CB-CE2 4.13Å; P45-F47 WeakPolarHBondContact O-CD1 3.43Å; P45-F47 PolarHBondContact O-N 3.47Å; F47-E49 VanDerWaalsContact C-N 3.34Å; F47-E49 HydrophobicContact CD2-CB 4.23Å; F47-E49 VanDerWaalsContact CD2-OE2 3.26Å; F47-E49 WeakPolarHBondContact CD2-OE2 2.68Å; F47-E49 HydrophobicContact CE2-CB 4Å; F47-E49 PolarHBondContact O-N 3.13Å; F47-Q50 HydrophobicContact CD1-CB 3.78Å; F47-Q50 HydrophobicContact CD1-CG 4.08Å; F47-Q50 HydrophobicContact CD2-CB 4Å; F47-Q50 HydrophobicContact CE1-CB 3.66Å; F47-Q50 HydrophobicContact CE1-CG 3.65Å; F47-Q50 HydrophobicContact CE2-CB 3.9Å; F47-Q50 VanDerWaalsContact CE2-N 3.33Å; F47-Q50 HydrophobicContact CG-CB 3.95Å; F47-Q50 HydrophobicContact CZ-CB 3.73Å; F47-Q50 HydrophobicContact CZ-CG 3.96Å; F47-Q50 WeakPolarHBondContact O-CB 3.41Å; F47-Q50 PolarHBondContact O-N 3.03Å; F47-I53 HydrophobicContact CE2-CD1 4.02Å; F47-I53 HydrophobicContact CZ-CD1 3.94Å
48T88.6Confident91.1Very high128 Ų12869 Ų6979%0.78535%0.352SS*.THydrogen-bonded Turntrans-52.6-44.8-168.3-48.30000113.6
49E89.8Confident91.2Very high23 Ų2370.4 Ų70.411%0.10736%0.355CS..THydrogen-bonded Turntrans-86.6-6.2-176.3-50.673.9-148.900113.6N8 E9 L12 F47 T51 Q52 I53N8-E49 WeakPolarHBondContact CB-OE2 3.23Å; E9-E49 WeakPolarHBondContact OE1-CG 3.27Å; E9-E49 VanDerWaalsContact OE1-OE1 3.12Å; L12-E49 HydrophobicContact CB-CB 4.41Å; L12-E49 HydrophobicContact CD2-CB 4.21Å; L12-E49 HydrophobicContact CD2-CG 4.25Å; F47-E49 VanDerWaalsContact C-N 3.34Å; F47-E49 HydrophobicContact CD2-CB 4.23Å; F47-E49 VanDerWaalsContact CD2-OE2 3.26Å; F47-E49 WeakPolarHBondContact CD2-OE2 2.68Å; F47-E49 HydrophobicContact CE2-CB 4Å; F47-E49 PolarHBondContact O-N 3.13Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 2.92Å; E49-Q52 PolarHBondContact O-N 3.42Å; E49-Q52 VanDerWaalsContact O-N 3.11Å; E49-I53 PolarHBondContact O-N 3.1Å; E49-I53 VanDerWaalsContact O-N 3.15Å
50Q90.4Very high91.5Very high8 Ų863.5 Ų63.54%0.03733%0.325CS..Hα-helixtrans-60.3-39.1-171.7-165.2-171.549.700112.5E40 A41 K44 F47 Q52 I53 K54E40-Q50 PolarHBondContact O-NE2 3.18Å; A41-Q50 PolarHBondContact O-NE2 2.97Å; K44-Q50 PolarHBondContact O-NE2 3.3Å; F47-Q50 HydrophobicContact CD1-CB 3.78Å; F47-Q50 HydrophobicContact CD1-CG 4.08Å; F47-Q50 HydrophobicContact CD2-CB 4Å; F47-Q50 HydrophobicContact CE1-CB 3.66Å; F47-Q50 HydrophobicContact CE1-CG 3.65Å; F47-Q50 HydrophobicContact CE2-CB 3.9Å; F47-Q50 VanDerWaalsContact CE2-N 3.33Å; F47-Q50 HydrophobicContact CG-CB 3.95Å; F47-Q50 HydrophobicContact CZ-CB 3.73Å; F47-Q50 HydrophobicContact CZ-CG 3.96Å; F47-Q50 WeakPolarHBondContact O-CB 3.41Å; F47-Q50 PolarHBondContact O-N 3.03Å; Q50-Q52 VanDerWaalsContact C-N 3.29Å; Q50-Q52 PolarHBondContact O-N 2.85Å; Q50-I53 PolarHBondContact O-N 3.4Å; Q50-K54 HydrophobicContact CG-CD 4.49Å; Q50-K54 WeakPolarHBondContact O-CB 3.41Å; Q50-K54 WeakPolarHBondContact O-CG 3.14Å; Q50-K54 PolarHBondContact O-N 3.41Å; Q50-K54 VanDerWaalsContact OE1-NZ 3.1Å
51T91.3Very high91.8Very high97 Ų9764.6 Ų64.660%0.59534%0.335SS*.Hα-helixtrans-63.4-36.3179.8-56.50000112E49 T55E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 2.92Å; T51-T55 PolarHBondContact O-N 3.19Å; T51-T55 PolarHBondContact O-OG1 3.28Å
52Q92.8Very high92.2Very high91 Ų9170.2 Ų70.243%0.42536%0.364SS..Hα-helixtrans-70.2-45.9176.1-61.3-169.428.400110.7L12 E49 Q50 K54 T55 Y56L12-Q52 HydrophobicContact CD1-CB 3.65Å; E49-Q52 PolarHBondContact O-N 3.42Å; E49-Q52 VanDerWaalsContact O-N 3.11Å; Q50-Q52 VanDerWaalsContact C-N 3.29Å; Q50-Q52 PolarHBondContact O-N 2.85Å; Q52-K54 VanDerWaalsContact C-N 3.34Å; Q52-K54 PolarHBondContact O-N 3.33Å; Q52-T55 WeakPolarHBondContact O-CB 3.47Å; Q52-T55 PolarHBondContact O-N 2.84Å; Q52-Y56 HydrophobicContact CB-CE2 4.4Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.48Å; Q52-Y56 PolarHBondContact O-N 2.96Å
53I93.1Very high92.3Very high0 Ų066.6 Ų66.60%035%0.352CS..Hα-helixtrans-58.6-45.7176.7-64175.2000110.6K11 L12 F37 A41 F47 E49 Q50 T55 Y56 V57K11-I53 HydrophobicContact CB-CD1 4.31Å; L12-I53 HydrophobicContact CB-CD1 4.47Å; L12-I53 HydrophobicContact CB-CG1 4.34Å; L12-I53 HydrophobicContact CD1-CG1 3.87Å; F37-I53 HydrophobicContact CB-CG2 4.19Å; F37-I53 HydrophobicContact CD1-CG2 4.31Å; A41-I53 HydrophobicContact CB-CG2 4.22Å; F47-I53 HydrophobicContact CE2-CD1 4.02Å; F47-I53 HydrophobicContact CZ-CD1 3.94Å; E49-I53 PolarHBondContact O-N 3.1Å; E49-I53 VanDerWaalsContact O-N 3.15Å; Q50-I53 PolarHBondContact O-N 3.4Å; I53-T55 VanDerWaalsContact C-N 3.25Å; I53-T55 PolarHBondContact O-N 3.46Å; I53-Y56 PolarHBondContact O-N 3.18Å; I53-V57 HydrophobicContact CG2-CG2 4.18Å; I53-V57 WeakPolarHBondContact O-CB 3.43Å; I53-V57 WeakPolarHBondContact O-CG2 3.2Å; I53-V57 PolarHBondContact O-N 3.35Å
54K93.9Very high92.6Very high64 Ų6461.4 Ų61.428%0.27833%0.327SS..Hα-helixtrans-53.2-43.6174-78.8173.9-179.3168.70111.8A41 F42 Q50 Q52 K58A41-K54 HydrophobicContact CB-CG 3.93Å; A41-K54 WeakPolarHBondContact O-CE 3.4Å; A41-K54 WeakPolarHBondContact O-CG 3.36Å; F42-K54 HydrophobicContact CE1-CG 4.38Å; Q50-K54 HydrophobicContact CG-CD 4.49Å; Q50-K54 WeakPolarHBondContact O-CB 3.41Å; Q50-K54 WeakPolarHBondContact O-CG 3.14Å; Q50-K54 PolarHBondContact O-N 3.41Å; Q50-K54 VanDerWaalsContact OE1-NZ 3.1Å; Q52-K54 VanDerWaalsContact C-N 3.34Å; Q52-K54 PolarHBondContact O-N 3.33Å; K54-K58 WeakPolarHBondContact O-CB 3.38Å; K54-K58 VanDerWaalsContact O-CG 3.3Å; K54-K58 WeakPolarHBondContact O-CG 3.42Å; K54-K58 PolarHBondContact O-N 2.94Å
55T94.9Very high93.1Very high55 Ų5563.3 Ų63.334%0.33734%0.34SS..Hα-helixtrans-64.7-46.8179.1-600000111.7T51 Q52 I53 K58 R59T51-T55 PolarHBondContact O-N 3.19Å; T51-T55 PolarHBondContact O-OG1 3.28Å; Q52-T55 WeakPolarHBondContact O-CB 3.47Å; Q52-T55 PolarHBondContact O-N 2.84Å; I53-T55 VanDerWaalsContact C-N 3.25Å; I53-T55 PolarHBondContact O-N 3.46Å; T55-K58 PolarHBondContact O-N 2.9Å; T55-R59 HydrophobicContact CG2-CG 4.49Å; T55-R59 WeakPolarHBondContact O-CB 3.43Å; T55-R59 WeakPolarHBondContact O-CG 3.3Å; T55-R59 PolarHBondContact O-N 3.42Å
56Y94.8Very high93.5Very high39 Ų3964.2 Ų64.215%0.15333%0.333CS..Hα-helixtrans-65-39.1178.1-72.6-65.5000112.7L12 R16 Y19 Q52 I53 R59 S60L12-Y56 HydrophobicContact CD1-CD2 4.17Å; L12-Y56 HydrophobicContact CD1-CE2 4.06Å; R16-Y56 HydrophobicContact CG-CE1 4.29Å; R16-Y56 PolarHBondContact NE-OH 3.46Å; Y19-Y56 AromaticContact CD1-CD1 3.56Å; Y19-Y56 HydrophobicContact CD1-CD1 3.56Å; Y19-Y56 AromaticContact CD1-CE1 3.8Å; Y19-Y56 HydrophobicContact CD1-CE1 3.8Å; Y19-Y56 HydrophobicContact CE1-CD1 4.07Å; Y19-Y56 HydrophobicContact CE1-CE1 4.14Å; Y19-Y56 AromaticContact CG-CD1 3.87Å; Y19-Y56 HydrophobicContact CG-CD1 3.87Å; Q52-Y56 HydrophobicContact CB-CE2 4.4Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.48Å; Q52-Y56 PolarHBondContact O-N 2.96Å; I53-Y56 PolarHBondContact O-N 3.18Å; Y56-R59 PolarHBondContact O-N 2.91Å; Y56-S60 WeakPolarHBondContact O-CB 3.41Å; Y56-S60 PolarHBondContact O-N 3.39Å; Y56-S60 PolarHBondContact O-OG 3.35Å
57V95.6Very high94Very high4 Ų461.2 Ų61.22%0.02431%0.307CS..Hα-helixtrans-63.6-47.2175.5170.60000110.7V34 F37 A41 F42 I53 R59 S60 A61V34-V57 HydrophobicContact CG1-CG1 4.34Å; V34-V57 HydrophobicContact CG2-CG1 4.44Å; F37-V57 HydrophobicContact CB-CG2 3.67Å; A41-V57 HydrophobicContact CB-CG2 4.29Å; F42-V57 HydrophobicContact CE2-CG1 3.98Å; I53-V57 HydrophobicContact CG2-CG2 4.18Å; I53-V57 WeakPolarHBondContact O-CB 3.43Å; I53-V57 WeakPolarHBondContact O-CG2 3.2Å; I53-V57 PolarHBondContact O-N 3.35Å; V57-R59 PolarHBondContact O-N 2.87Å; V57-S60 PolarHBondContact O-N 3.35Å; V57-A61 WeakPolarHBondContact O-CB 3.11Å; V57-A61 PolarHBondContact O-N 2.98Å
58K96Very high94.5Very high125 Ų12562.7 Ų62.754%0.54332%0.319SS..Hα-helixtrans-61.1-44.5176.5-73.1179.8-174.2-172.40112.3F42 K54 T55 A61 L62F42-K58 HydrophobicContact CZ-CG 4.38Å; K54-K58 WeakPolarHBondContact O-CB 3.38Å; K54-K58 VanDerWaalsContact O-CG 3.3Å; K54-K58 WeakPolarHBondContact O-CG 3.42Å; K54-K58 PolarHBondContact O-N 2.94Å; T55-K58 PolarHBondContact O-N 2.9Å; K58-A61 PolarHBondContact O-N 3.28Å; K58-L62 WeakPolarHBondContact O-CG 3.46Å; K58-L62 PolarHBondContact O-N 2.9Å
59R95.7Very high94.9Very high130 Ų13060.8 Ų60.849%0.49131%0.307SS..Hα-helixtrans-64.9-39.9177.3-71.7177.8-178.8-177.31.4112.2Y19 T55 Y56 V57 A61 L62 G63Y19-R59 HydrophobicContact CD2-CB 4.44Å; Y19-R59 HydrophobicContact CE2-CB 3.72Å; T55-R59 HydrophobicContact CG2-CG 4.49Å; T55-R59 WeakPolarHBondContact O-CB 3.43Å; T55-R59 WeakPolarHBondContact O-CG 3.3Å; T55-R59 PolarHBondContact O-N 3.42Å; Y56-R59 PolarHBondContact O-N 2.91Å; V57-R59 PolarHBondContact O-N 2.87Å; R59-A61 VanDerWaalsContact C-N 3.33Å; R59-L62 PolarHBondContact O-N 3.31Å; R59-G63 PolarHBondContact O-N 3.47Å
60S94.9Very high95.3Very high0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-63.3-40.4174.2-56.50000111.2Y19 N33 Y56 V57 G63 L64Y19-S60 WeakPolarHBondContact CD2-OG 3.45Å; N33-S60 PolarHBondContact ND2-OG 2.96Å; Y56-S60 WeakPolarHBondContact O-CB 3.41Å; Y56-S60 PolarHBondContact O-N 3.39Å; Y56-S60 PolarHBondContact O-OG 3.35Å; V57-S60 PolarHBondContact O-N 3.35Å; S60-G63 PolarHBondContact O-N 3Å; S60-L64 WeakPolarHBondContact O-CB 3.42Å; S60-L64 PolarHBondContact O-N 3.25Å
61A96.1Very high95.6Very high30 Ų3065.6 Ų65.625%0.24834%0.336CS..Hα-helixtrans-64.1-41.2175.800000112.3V34 V57 K58 R59 L64 L65V34-A61 HydrophobicContact CG2-CB 3.86Å; V57-A61 WeakPolarHBondContact O-CB 3.11Å; V57-A61 PolarHBondContact O-N 2.98Å; K58-A61 PolarHBondContact O-N 3.28Å; R59-A61 VanDerWaalsContact C-N 3.33Å; A61-L64 PolarHBondContact O-N 3.26Å; A61-L65 WeakPolarHBondContact O-CG 3.29Å; A61-L65 PolarHBondContact O-N 2.84Å
62L97.3Very high95.9Very high118 Ų11864.6 Ų64.662%0.61833%0.33SS*.Hα-helixtrans-63.2-44.3173.8-71.8173.6000112.1K58 R59 L64 L65 F66K58-L62 WeakPolarHBondContact O-CG 3.46Å; K58-L62 PolarHBondContact O-N 2.9Å; R59-L62 PolarHBondContact O-N 3.31Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.94Å; L62-L65 PolarHBondContact O-N 3.34Å; L62-F66 PolarHBondContact O-N 3.07Å
63G94.4Very high96.1Very high13 Ų1363.8 Ų63.813%0.13433%0.331CS..Hα-helixtrans-61.5-40.2175.300000112.4W30 R59 S60 F66 W67W30-G63 VanDerWaalsContact CZ3-CA 3.42Å; W30-G63 WeakPolarHBondContact CZ3-O 3.34Å; R59-G63 PolarHBondContact O-N 3.47Å; S60-G63 PolarHBondContact O-N 3Å; G63-F66 PolarHBondContact O-N 3.46Å; G63-W67 PolarHBondContact O-N 3.45Å
64L96.4Very high96.3Very high32 Ų3270 Ų7017%0.16835%0.354CS..Hα-helixtrans-61.8-48.8174.4175.667.1000111.3P27 W30 L31 S60 A61 L62 F66 W67 V68P27-L64 HydrophobicContact CB-CD1 4.17Å; P27-L64 WeakPolarHBondContact O-CD1 3.41Å; W30-L64 HydrophobicContact CB-CB 4.34Å; L31-L64 HydrophobicContact CB-CD1 4.09Å; L31-L64 HydrophobicContact CB-CD2 3.92Å; L31-L64 HydrophobicContact CD1-CD2 3.71Å; L31-L64 HydrophobicContact CG-CD2 4.39Å; S60-L64 WeakPolarHBondContact O-CB 3.42Å; S60-L64 PolarHBondContact O-N 3.25Å; A61-L64 PolarHBondContact O-N 3.26Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.94Å; L64-F66 VanDerWaalsContact C-N 3.31Å; L64-F66 PolarHBondContact O-N 3.21Å; L64-W67 PolarHBondContact O-N 3.42Å; L64-V68 HydrophobicContact CD1-CG2 4.23Å; L64-V68 HydrophobicContact CG-CG2 4.4Å; L64-V68 WeakPolarHBondContact O-CG2 3.02Å; L64-V68 PolarHBondContact O-N 3.42Å
65L97.3Very high96.4Very high108 Ų10871.3 Ų71.357%0.56536%0.364SS*.Hα-helixtrans-58.8-44178.3-74172000111.4A61 L62 W67 V68 T69A61-L65 WeakPolarHBondContact O-CG 3.29Å; A61-L65 PolarHBondContact O-N 2.84Å; L62-L65 PolarHBondContact O-N 3.34Å; L65-W67 PolarHBondContact O-N 2.95Å; L65-V68 PolarHBondContact O-N 3.46Å; L65-T69 PolarHBondContact O-N 3.49Å; L65-T69 PolarHBondContact O-OG1 3.3Å; L65-T69 VanDerWaalsContact O-OG1 3.14Å
66F96.9Very high96.5Very high126 Ų12672.8 Ų72.855%0.55337%0.373SS*.Hα-helixtrans-56-49.8174.9172.7-97.6000111.9L62 G63 L64 V68 T69 V70L62-F66 PolarHBondContact O-N 3.07Å; G63-F66 PolarHBondContact O-N 3.46Å; L64-F66 VanDerWaalsContact C-N 3.31Å; L64-F66 PolarHBondContact O-N 3.21Å; F66-V68 PolarHBondContact O-N 3.31Å; F66-T69 PolarHBondContact O-N 3.49Å; F66-V70 HydrophobicContact CD1-CG2 4.38Å; F66-V70 HydrophobicContact CD2-CG2 4.35Å; F66-V70 HydrophobicContact CE1-CG2 3.95Å; F66-V70 HydrophobicContact CE2-CG2 3.92Å; F66-V70 HydrophobicContact CZ-CG2 3.71Å; F66-V70 WeakPolarHBondContact O-CG2 3.28Å; F66-V70 PolarHBondContact O-N 2.94Å
67W96.6Very high96.6Very high53 Ų5374.1 Ų74.120%0.20138%0.382CS..Hα-helixtrans-64.4-40177.8-87.1117.6000113.3L25 P27 W30 G63 L64 L65 T69 V70 L71L25-W67 HydrophobicContact CB-CH2 4.43Å; L25-W67 HydrophobicContact CB-CZ2 4.24Å; L25-W67 HydrophobicContact CD2-CH2 3.64Å; L25-W67 HydrophobicContact CD2-CZ2 3.41Å; L25-W67 VanDerWaalsContact CD2-CZ2 3.41Å; L25-W67 HydrophobicContact CG-CZ2 4.42Å; P27-W67 HydrophobicContact CB-CB 3.59Å; P27-W67 HydrophobicContact CB-CG 3.76Å; P27-W67 HydrophobicContact CG-CB 4.17Å; P27-W67 HydrophobicContact CG-CG 4.17Å; W30-W67 AromaticContact CE3-CD1 3.69Å; W30-W67 AromaticContact CH2-NE1 3.91Å; W30-W67 AromaticContact CZ3-CD1 3.19Å; W30-W67 HydrophobicContact CZ3-CG 4.48Å; W30-W67 AromaticContact CZ3-NE1 3.37Å; G63-W67 PolarHBondContact O-N 3.45Å; L64-W67 PolarHBondContact O-N 3.42Å; L65-W67 PolarHBondContact O-N 2.95Å; W67-T69 VanDerWaalsContact C-N 3.3Å; W67-T69 PolarHBondContact O-N 3.31Å; W67-V70 HydrophobicContact CZ3-CG1 4.45Å; W67-V70 PolarHBondContact O-N 2.93Å; W67-L71 HydrophobicContact CE3-CD1 4.44Å; W67-L71 HydrophobicContact CE3-CG 4.16Å; W67-L71 VanDerWaalsContact O-CB 3.29Å; W67-L71 WeakPolarHBondContact O-CB 3.36Å; W67-L71 VanDerWaalsContact O-CG 3.28Å; W67-L71 WeakPolarHBondContact O-CG 3.35Å; W67-L71 PolarHBondContact O-N 2.89Å
68V96.8Very high96.5Very high73 Ų7375.5 Ų75.544%0.44239%0.387SS..Hα-helixtrans-59.5-45.7176.4168.30000109.8L64 L65 F66 T72L64-V68 HydrophobicContact CD1-CG2 4.23Å; L64-V68 HydrophobicContact CG-CG2 4.4Å; L64-V68 WeakPolarHBondContact O-CG2 3.02Å; L64-V68 PolarHBondContact O-N 3.42Å; L65-V68 PolarHBondContact O-N 3.46Å; F66-V68 PolarHBondContact O-N 3.31Å; V68-T72 WeakPolarHBondContact O-CB 3.34Å; V68-T72 PolarHBondContact O-N 3.04Å; V68-T72 PolarHBondContact O-OG1 3.26Å
69T97.8Very high96.3Very high87 Ų8776.4 Ų76.453%0.53439%0.393SS..Hα-helixtrans-60.6-52.6175.5-59.10000111.3L65 F66 W67 L71 T72 T73L65-T69 PolarHBondContact O-N 3.49Å; L65-T69 PolarHBondContact O-OG1 3.3Å; L65-T69 VanDerWaalsContact O-OG1 3.14Å; F66-T69 PolarHBondContact O-N 3.49Å; W67-T69 VanDerWaalsContact C-N 3.3Å; W67-T69 PolarHBondContact O-N 3.31Å; T69-L71 PolarHBondContact O-N 3.28Å; T69-T72 PolarHBondContact O-N 2.92Å; T69-T73 WeakPolarHBondContact O-CB 3.28Å; T69-T73 PolarHBondContact O-N 3.03Å; T69-T73 PolarHBondContact O-OG1 2.88Å
70V97.6Very high96.2Very high59 Ų5976.3 Ų76.336%0.35840%0.398SS..Hα-helixtrans-58.3-48.4-178.3169.90000111.7F66 W67 T73 W74F66-V70 HydrophobicContact CD1-CG2 4.38Å; F66-V70 HydrophobicContact CD2-CG2 4.35Å; F66-V70 HydrophobicContact CE1-CG2 3.95Å; F66-V70 HydrophobicContact CE2-CG2 3.92Å; F66-V70 HydrophobicContact CZ-CG2 3.71Å; F66-V70 WeakPolarHBondContact O-CG2 3.28Å; F66-V70 PolarHBondContact O-N 2.94Å; W67-V70 HydrophobicContact CZ3-CG1 4.45Å; W67-V70 PolarHBondContact O-N 2.93Å; V70-T73 PolarHBondContact O-N 3.14Å; V70-W74 WeakPolarHBondContact O-CB 3.39Å; V70-W74 PolarHBondContact O-N 2.95Å
71L96.8Very high96.1Very high73 Ų7380 Ų8038%0.38241%0.414SS..Hα-helixtrans-66.9-41.5-179.6-70.1172.7000111.7P27 W67 T69 W74 I75P27-L71 HydrophobicContact CG-CD1 4.37Å; W67-L71 HydrophobicContact CE3-CD1 4.44Å; W67-L71 HydrophobicContact CE3-CG 4.16Å; W67-L71 VanDerWaalsContact O-CB 3.29Å; W67-L71 WeakPolarHBondContact O-CB 3.36Å; W67-L71 VanDerWaalsContact O-CG 3.28Å; W67-L71 WeakPolarHBondContact O-CG 3.35Å; W67-L71 PolarHBondContact O-N 2.89Å; T69-L71 PolarHBondContact O-N 3.28Å; L71-W74 PolarHBondContact O-N 3.49Å; L71-I75 WeakPolarHBondContact O-CB 3.39Å; L71-I75 WeakPolarHBondContact O-CD1 3.39Å; L71-I75 WeakPolarHBondContact O-CG1 3.17Å; L71-I75 PolarHBondContact O-N 3.37Å
72T97.6Very high95.8Very high77 Ų7779.7 Ų79.747%0.47241%0.406SS..Hα-helixtrans-64.2-46.7178.2-55.90000110.4V68 T69 W74 I75 T76V68-T72 WeakPolarHBondContact O-CB 3.34Å; V68-T72 PolarHBondContact O-N 3.04Å; V68-T72 PolarHBondContact O-OG1 3.26Å; T69-T72 PolarHBondContact O-N 2.92Å; T72-W74 PolarHBondContact O-N 3.41Å; T72-I75 PolarHBondContact O-N 2.65Å; T72-T76 WeakPolarHBondContact O-CB 3.2Å; T72-T76 PolarHBondContact O-N 2.92Å; T72-T76 PolarHBondContact O-OG1 3.43Å
73T98.1Very high95.4Very high74 Ų7476.9 Ų76.945%0.45440%0.4SS..Hα-helixtrans-58.7-46.6175.6-62.20000111.4T69 V70 T76 I77T69-T73 WeakPolarHBondContact O-CB 3.28Å; T69-T73 PolarHBondContact O-N 3.03Å; T69-T73 PolarHBondContact O-OG1 2.88Å; V70-T73 PolarHBondContact O-N 3.14Å; T73-T76 PolarHBondContact O-N 3.24Å; T73-I77 HydrophobicContact CG2-CD1 3.83Å; T73-I77 HydrophobicContact CG2-CG1 4.49Å; T73-I77 VanDerWaalsContact O-CG1 3.3Å; T73-I77 WeakPolarHBondContact O-CG1 3.45Å; T73-I77 PolarHBondContact O-N 2.95Å
74W97.1Very high95.3Very high129 Ų12983 Ų8349%0.48943%0.425SS..Hα-helixtrans-60-47.6176.8175.4-111.8000112.1V70 L71 T72 T76 I77 Y78 W85V70-W74 WeakPolarHBondContact O-CB 3.39Å; V70-W74 PolarHBondContact O-N 2.95Å; L71-W74 PolarHBondContact O-N 3.49Å; T72-W74 PolarHBondContact O-N 3.41Å; W74-T76 VanDerWaalsContact C-N 3.35Å; W74-T76 PolarHBondContact O-N 2.86Å; W74-I77 PolarHBondContact O-N 3.48Å; W74-Y78 HydrophobicContact CZ2-CD2 4.28Å; W74-Y78 VanDerWaalsContact O-CB 3.29Å; W74-Y78 WeakPolarHBondContact O-CB 3.35Å; W74-Y78 PolarHBondContact O-N 3.14Å; W74-W85 AromaticContact CH2-CH2 3.99Å; W74-W85 HydrophobicContact CH2-CH2 3.99Å; W74-W85 HydrophobicContact CH2-CZ3 4.1Å; W74-W85 HydrophobicContact CZ3-CH2 4.12Å
75I96.1Very high95Very high93 Ų9385.5 Ų85.548%0.47743%0.433SS..Hα-helixtrans-60.9-44.6178.1-69.3163.6000110.4L71 T72 Y78 Q79L71-I75 WeakPolarHBondContact O-CB 3.39Å; L71-I75 WeakPolarHBondContact O-CD1 3.39Å; L71-I75 WeakPolarHBondContact O-CG1 3.17Å; L71-I75 PolarHBondContact O-N 3.37Å; T72-I75 PolarHBondContact O-N 2.65Å; I75-Y78 PolarHBondContact O-N 3.36Å; I75-Q79 HydrophobicContact CG2-CG 4.06Å; I75-Q79 WeakPolarHBondContact O-CB 3.12Å; I75-Q79 WeakPolarHBondContact O-CG 3.41Å; I75-Q79 PolarHBondContact O-N 3.15Å
76T97.1Very high94.7Very high86 Ų8682.1 Ų82.153%0.52842%0.424SS..Hα-helixtrans-62.6-45.6178.4-60.70000111.9T72 T73 W74 Y78 Q79 H80T72-T76 WeakPolarHBondContact O-CB 3.2Å; T72-T76 PolarHBondContact O-N 2.92Å; T72-T76 PolarHBondContact O-OG1 3.43Å; T73-T76 PolarHBondContact O-N 3.24Å; W74-T76 VanDerWaalsContact C-N 3.35Å; W74-T76 PolarHBondContact O-N 2.86Å; T76-Y78 VanDerWaalsContact C-N 3.34Å; T76-Q79 PolarHBondContact O-N 2.86Å; T76-H80 WeakPolarHBondContact O-CB 3.3Å; T76-H80 PolarHBondContact O-N 3.47Å
77I96.3Very high94.4Very high66 Ų6683 Ų8334%0.33843%0.43SS..Hα-helixtrans-59.5-49175.8-71169.5000109.7T73 W74 H80 F81 W85T73-I77 HydrophobicContact CG2-CD1 3.83Å; T73-I77 HydrophobicContact CG2-CG1 4.49Å; T73-I77 VanDerWaalsContact O-CG1 3.3Å; T73-I77 WeakPolarHBondContact O-CG1 3.45Å; T73-I77 PolarHBondContact O-N 2.95Å; W74-I77 PolarHBondContact O-N 3.48Å; I77-H80 PolarHBondContact O-N 3.1Å; I77-F81 HydrophobicContact CB-CD2 4.47Å; I77-F81 HydrophobicContact CG2-CD2 4Å; I77-F81 WeakPolarHBondContact O-CB 3.29Å; I77-F81 VanDerWaalsContact O-CD2 3.31Å; I77-F81 WeakPolarHBondContact O-CD2 3.41Å; I77-F81 PolarHBondContact O-N 3.49Å; I77-W85 HydrophobicContact CG2-CH2 3.9Å; I77-W85 HydrophobicContact CG2-CZ2 3.67Å
78Y93.9Very high94.1Very high34 Ų3484.7 Ų84.713%0.13345%0.446CS..Hα-helixtrans-58.3-53.2179.6-170.9-94.1000111.2W74 I75 T76 H80 F81 R82 W85 G89 L92 S93W74-Y78 HydrophobicContact CZ2-CD2 4.28Å; W74-Y78 VanDerWaalsContact O-CB 3.29Å; W74-Y78 WeakPolarHBondContact O-CB 3.35Å; W74-Y78 PolarHBondContact O-N 3.14Å; I75-Y78 PolarHBondContact O-N 3.36Å; T76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-H80 VanDerWaalsContact C-N 3.26Å; Y78-H80 PolarHBondContact O-N 3.21Å; Y78-F81 PolarHBondContact O-N 3.34Å; Y78-R82 HydrophobicContact CD1-CB 4.49Å; Y78-R82 HydrophobicContact CE1-CB 4.33Å; Y78-R82 HydrophobicContact CE1-CG 4.06Å; Y78-R82 HydrophobicContact CE2-CG 4.41Å; Y78-R82 WeakPolarHBondContact O-CA 3.47Å; Y78-R82 WeakPolarHBondContact O-CB 3.35Å; Y78-R82 PolarHBondContact O-N 3.34Å; Y78-W85 HydrophobicContact CD2-CH2 4.45Å; Y78-W85 AromaticContact CD2-CZ3 3.81Å; Y78-W85 HydrophobicContact CD2-CZ3 3.81Å; Y78-W85 HydrophobicContact CE2-CZ3 4.29Å; Y78-G89 PolarHBondContact OH-O 3.46Å; Y78-L92 HydrophobicContact CE2-CB 4.08Å; Y78-L92 PolarHBondContact OH-O 3.18Å; Y78-S93 WeakPolarHBondContact OH-CA 3.33Å; Y78-S93 WeakPolarHBondContact OH-CB 3.47Å; Y78-S93 PolarHBondContact OH-N 3.32Å; Y78-S93 PolarHBondContact OH-OG 3.42Å
79Q92Very high93.7Very high143 Ų14381.2 Ų81.267%0.66843%0.425SS*.Hα-helixtrans-61.6-33.2-178.4-68.4-66.8-23.800112.9I75 T76I75-Q79 HydrophobicContact CG2-CG 4.06Å; I75-Q79 WeakPolarHBondContact O-CB 3.12Å; I75-Q79 WeakPolarHBondContact O-CG 3.41Å; I75-Q79 PolarHBondContact O-N 3.15Å; T76-Q79 PolarHBondContact O-N 2.86Å
80H92.4Very high93.3Very high129 Ų12980.4 Ų80.460%0.59742%0.418SS*.Hα-helixtrans-83.3-37.5-178.5-165.869.6000113.4T76 I77 Y78T76-H80 WeakPolarHBondContact O-CB 3.3Å; T76-H80 PolarHBondContact O-N 3.47Å; I77-H80 PolarHBondContact O-N 3.1Å; Y78-H80 VanDerWaalsContact C-N 3.26Å; Y78-H80 PolarHBondContact O-N 3.21Å
81F92.9Very high93Very high78 Ų7886.8 Ų86.834%0.34244%0.437SS..Hα-helixtrans-109.3-7.7-170.4-61-75.2000114.5I77 Y78 A83 Q84 W85I77-F81 HydrophobicContact CB-CD2 4.47Å; I77-F81 HydrophobicContact CG2-CD2 4Å; I77-F81 WeakPolarHBondContact O-CB 3.29Å; I77-F81 VanDerWaalsContact O-CD2 3.31Å; I77-F81 WeakPolarHBondContact O-CD2 3.41Å; I77-F81 PolarHBondContact O-N 3.49Å; Y78-F81 PolarHBondContact O-N 3.34Å; F81-A83 VanDerWaalsContact C-N 3.3Å; F81-A83 PolarHBondContact O-N 2.85Å; F81-Q84 WeakPolarHBondContact O-CA 3.47Å; F81-Q84 WeakPolarHBondContact O-CB 3.49Å; F81-Q84 PolarHBondContact O-N 3.38Å; F81-W85 HydrophobicContact CB-CZ2 4.05Å; F81-W85 VanDerWaalsContact O-CD1 3.28Å; F81-W85 PolarHBondContact O-N 3.34Å
82R91.1Very high92.8Very high22 Ų2288 Ų888%0.08344%0.443CS..G310 helixtrans-46.5-50.5-178.2-178.4-161.7105.572.311.3112.7Y78 Q84 W85 G89 D90 S93Y78-R82 HydrophobicContact CD1-CB 4.49Å; Y78-R82 HydrophobicContact CE1-CB 4.33Å; Y78-R82 HydrophobicContact CE1-CG 4.06Å; Y78-R82 HydrophobicContact CE2-CG 4.41Å; Y78-R82 WeakPolarHBondContact O-CA 3.47Å; Y78-R82 WeakPolarHBondContact O-CB 3.35Å; Y78-R82 PolarHBondContact O-N 3.34Å; R82-Q84 PolarHBondContact O-N 3.45Å; R82-W85 WeakPolarHBondContact O-CB 3.45Å; R82-W85 PolarHBondContact O-N 2.73Å; R82-W85 VanDerWaalsContact O-N 3.09Å; R82-G89 PolarHBondContact NH1-O 2.94Å; R82-D90 IonicContact CZ-OD1 3.45Å; R82-D90 IonicContact NH1-OD1 2.73Å; R82-D90 PolarHBondContact NH1-OD1 3.09Å; R82-D90 IonicContact NH2-OD1 3.26Å; R82-D90 PolarHBondContact NH2-OD1 2.88Å; R82-S93 PolarHBondContact NH1-OG 3.45Å
83A87.9Confident92.6Very high59 Ų5985.1 Ų85.149%0.48843%0.426SS..G310 helixtrans-63.3-30-178.200000112.7F81 W85 P101F81-A83 VanDerWaalsContact C-N 3.3Å; F81-A83 PolarHBondContact O-N 2.85Å; A83-W85 VanDerWaalsContact C-N 3.32Å; A83-P101 WeakPolarHBondContact CB-O 3.18Å
84Q92.1Very high92.3Very high142 Ų14291.2 Ų91.266%0.66445%0.446SS*.G310 helixtrans-77.9-19178.3-56.518012.200112.5F81 R82 G86F81-Q84 WeakPolarHBondContact O-CA 3.47Å; F81-Q84 WeakPolarHBondContact O-CB 3.49Å; F81-Q84 PolarHBondContact O-N 3.38Å; R82-Q84 PolarHBondContact O-N 3.45Å; Q84-G86 VanDerWaalsContact C-N 3.26Å; Q84-G86 PolarHBondContact O-N 3.26Å
85W91.3Very high91.9Very high84 Ų8490.2 Ų90.232%0.31846%0.455SS..G310 helixtrans-80.6-5.5-179.8-62-6.8000113.2W74 I77 Y78 F81 R82 A83 E87 V88 L92W74-W85 AromaticContact CH2-CH2 3.99Å; W74-W85 HydrophobicContact CH2-CH2 3.99Å; W74-W85 HydrophobicContact CH2-CZ3 4.1Å; W74-W85 HydrophobicContact CZ3-CH2 4.12Å; I77-W85 HydrophobicContact CG2-CH2 3.9Å; I77-W85 HydrophobicContact CG2-CZ2 3.67Å; Y78-W85 HydrophobicContact CD2-CH2 4.45Å; Y78-W85 AromaticContact CD2-CZ3 3.81Å; Y78-W85 HydrophobicContact CD2-CZ3 3.81Å; Y78-W85 HydrophobicContact CE2-CZ3 4.29Å; F81-W85 HydrophobicContact CB-CZ2 4.05Å; F81-W85 VanDerWaalsContact O-CD1 3.28Å; F81-W85 PolarHBondContact O-N 3.34Å; R82-W85 WeakPolarHBondContact O-CB 3.45Å; R82-W85 PolarHBondContact O-N 2.73Å; R82-W85 VanDerWaalsContact O-N 3.09Å; A83-W85 VanDerWaalsContact C-N 3.32Å; W85-E87 PolarHBondContact O-N 3.47Å; W85-V88 PolarHBondContact O-N 3.31Å; W85-L92 HydrophobicContact CE3-CD1 4.49Å; W85-L92 HydrophobicContact CZ3-CD1 4.39Å
86G89.9Confident91.4Very high38 Ų3890 Ų9039%0.39245%0.454SS..THydrogen-bonded Turntrans57-133.7178.600000112.1Q84 V88 G89 D90Q84-G86 VanDerWaalsContact C-N 3.26Å; Q84-G86 PolarHBondContact O-N 3.26Å; G86-V88 PolarHBondContact O-N 3.47Å; G86-V88 VanDerWaalsContact O-N 3.14Å; G86-G89 WeakPolarHBondContact O-CA 3.38Å; G86-G89 PolarHBondContact O-N 3.03Å; G86-D90 PolarHBondContact O-N 2.78Å
87E90.5Very high90.8Very high144 Ų14488.7 Ų88.767%0.67345%0.447SS*.Hα-helixtrans-54.7-36.5-177.6-63.1-172.6-179.100113.2W85 G89 D90 Y91W85-E87 PolarHBondContact O-N 3.47Å; E87-G89 VanDerWaalsContact C-N 3.31Å; E87-G89 PolarHBondContact O-N 3.41Å; E87-D90 PolarHBondContact O-N 2.63Å; E87-D90 VanDerWaalsContact O-N 3.15Å; E87-Y91 HydrophobicContact CB-CD2 4.24Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.08Å; E87-Y91 PolarHBondContact O-N 2.63Å
88V90.9Very high89.9Confident88 Ų8894.6 Ų94.653%0.53348%0.478SS..Hα-helixtrans-64-39.3178.4177.80000111W85 G86 D90 Y91 L92W85-V88 PolarHBondContact O-N 3.31Å; G86-V88 PolarHBondContact O-N 3.47Å; G86-V88 VanDerWaalsContact O-N 3.14Å; V88-D90 VanDerWaalsContact C-N 3.29Å; V88-D90 PolarHBondContact O-N 2.83Å; V88-Y91 PolarHBondContact O-N 2.86Å; V88-L92 HydrophobicContact CG1-CD1 3.91Å; V88-L92 WeakPolarHBondContact O-CB 3.31Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 3.3Å; V88-L92 VanDerWaalsContact O-N 3.1Å
89G88.6Confident88.9Confident0 Ų096.6 Ų96.60%051%0.509CS..Hα-helixtrans-63.6-36.3174.700000112.1Y78 R82 G86 E87 S93Y78-G89 PolarHBondContact OH-O 3.46Å; R82-G89 PolarHBondContact NH1-O 2.94Å; G86-G89 WeakPolarHBondContact O-CA 3.38Å; G86-G89 PolarHBondContact O-N 3.03Å; E87-G89 VanDerWaalsContact C-N 3.31Å; E87-G89 PolarHBondContact O-N 3.41Å; G89-S93 WeakPolarHBondContact O-CB 3.43Å; G89-S93 PolarHBondContact O-N 2.85Å; G89-S93 PolarHBondContact O-OG 3.25Å
90D88.7Confident87.5Confident71 Ų7193.7 Ų93.738%0.3850%0.501SS..Hα-helixtrans-73.4-42.6176.7-68.5-25.6000112.4R82 G86 E87 V88 L92 S93R82-D90 IonicContact CZ-OD1 3.45Å; R82-D90 IonicContact NH1-OD1 2.73Å; R82-D90 PolarHBondContact NH1-OD1 3.09Å; R82-D90 IonicContact NH2-OD1 3.26Å; R82-D90 PolarHBondContact NH2-OD1 2.88Å; G86-D90 PolarHBondContact O-N 2.78Å; E87-D90 PolarHBondContact O-N 2.63Å; E87-D90 VanDerWaalsContact O-N 3.15Å; V88-D90 VanDerWaalsContact C-N 3.29Å; V88-D90 PolarHBondContact O-N 2.83Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 3.3Å; D90-S93 WeakPolarHBondContact O-CB 3.36Å; D90-S93 PolarHBondContact O-N 3.23Å
91Y92.3Very high85.9Confident193 Ų19394.6 Ų94.676%0.75752%0.518SS*.Hα-helixtrans-62.9-34.6176.1-76-61.7000113.3E87 V88 S93E87-Y91 HydrophobicContact CB-CD2 4.24Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.08Å; E87-Y91 PolarHBondContact O-N 2.63Å; V88-Y91 PolarHBondContact O-N 2.86Å; Y91-S93 VanDerWaalsContact C-N 3.28Å
92L92.6Very high85.6Confident98 Ų9895.5 Ų95.551%0.51353%0.527SS..THydrogen-bonded Turntrans-79.2-12.4175.9-67.6171.3000112.8Y78 W85 V88 D90 F94Y78-L92 HydrophobicContact CE2-CB 4.08Å; Y78-L92 PolarHBondContact OH-O 3.18Å; W85-L92 HydrophobicContact CE3-CD1 4.49Å; W85-L92 HydrophobicContact CZ3-CD1 4.39Å; V88-L92 HydrophobicContact CG1-CD1 3.91Å; V88-L92 WeakPolarHBondContact O-CB 3.31Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 3.3Å; V88-L92 VanDerWaalsContact O-N 3.1Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 3.3Å; L92-F94 PolarHBondContact O-N 2.9Å
93S91.9Very high85.3Confident16 Ų1699.3 Ų99.311%0.11255%0.55CS.*  trans-81.4114.1-178.5-66.70000111.6Y78 R82 G89 D90 Y91Y78-S93 WeakPolarHBondContact OH-CA 3.33Å; Y78-S93 WeakPolarHBondContact OH-CB 3.47Å; Y78-S93 PolarHBondContact OH-N 3.32Å; Y78-S93 PolarHBondContact OH-OG 3.42Å; R82-S93 PolarHBondContact NH1-OG 3.45Å; G89-S93 WeakPolarHBondContact O-CB 3.43Å; G89-S93 PolarHBondContact O-N 2.85Å; G89-S93 PolarHBondContact O-OG 3.25Å; D90-S93 WeakPolarHBondContact O-CB 3.36Å; D90-S93 PolarHBondContact O-N 3.23Å; Y91-S93 VanDerWaalsContact C-N 3.28Å
94F92.1Very high85.2Confident203 Ų203101.6 Ų101.689%0.8955%0.554SS**SBendtrans-71.6-38.6166.1-179.4-103.8000112L92L92-F94 PolarHBondContact O-N 2.9Å
95T89.4Confident84.7Confident108 Ų10899.2 Ų99.266%0.66355%0.547SS*.SBendtrans-126.1115.8178.3-52.90000109
96I85.7Confident84.3Confident89 Ų89100.1 Ų100.146%0.45656%0.562SS.*  trans-94.4123.6178.3-58.9173.7000108.7L98I96-L98 PolarHBondContact O-N 3.01Å
97P84.1Confident84Confident58 Ų58104.3 Ų104.338%0.37757%0.573SS.*  trans-69.1125.3175.428.1-33.6000110.7G99 T100P97-G99 PolarHBondContact O-N 3.27Å; P97-T100 WeakPolarHBondContact CB-OG1 3.07Å; P97-T100 WeakPolarHBondContact CG-OG1 3.32Å
98L76.8Confident83.5Confident190 Ų190101.4 Ų101.4100%0.99557%0.566SS**THydrogen-bonded Turntrans-69.8-17.7-175.8-66.6166.2000114.2I96I96-L98 PolarHBondContact O-N 3.01Å
99G72.8Confident82.9Confident76 Ų76102.5 Ų102.578%0.78457%0.568SS**THydrogen-bonded Turntrans-112.7-0.6-170.600000115.7P97P97-G99 PolarHBondContact O-N 3.27Å
100T63.4Low82.5Confident82 Ų82111 Ų11150%0.50362%0.616SS.*  trans-127124.3178.5500000108.3P97P97-T100 WeakPolarHBondContact CB-OG1 3.07Å; P97-T100 WeakPolarHBondContact CG-OG1 3.32Å
101P59.7Low81.9Confident148 Ų148114.6 Ų114.696%0.96164%0.637SS**  trans-58.80175.826.2-32.5000111.3A83A83-P101 WeakPolarHBondContact CB-O 3.18Å

Retrieved 101 of 101 residues in 148.5 ms (Link to these results)

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