A0A096N0K6_PAPAN Loading...

tRNA wybutosine-synthesizing protein 3 homolog

Probable S-adenosyl-L-methionine-dependent methyltransferase that acts as a component of the wybutosine biosynthesis pathway. Wybutosine is a hyper modified guanosine with a tricyclic base found at the 3'-position adjacent to the anticodon of eukaryotic phenylalanine tRNA.

AlphaFold DB , UniProt , Accession A0A096N0K6, Species PAPAN (Papio anubis, Olive baboon), Gene TYW3, Length 258 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
1M62.2Low88.6Confident219 Ų21989.5 Ų89.5100%1.07942%0.416SS*.  0134.10-77.8178.6-175.800108.3R3M1-R3 PolarHBondContact O-N 3.34Å; M1-R3 VanDerWaalsContact O-N 3.17Å
2D83Confident89.2Confident96 Ų9687.3 Ų87.351%0.51343%0.425SS..  trans-70.1105.3175.6174.415.6000109.9S4 A5 E6D2-S4 PolarHBondContact O-N 3.48Å; D2-S4 VanDerWaalsContact OD1-CB 3.23Å; D2-S4 WeakPolarHBondContact OD1-CB 3.46Å; D2-S4 PolarHBondContact OD1-N 3.22Å; D2-A5 HydrophobicContact CB-CB 4.13Å; D2-A5 PolarHBondContact O-N 3.16Å; D2-A5 VanDerWaalsContact OD2-CB 3.25Å; D2-A5 WeakPolarHBondContact OD2-CB 3.25Å; D2-A5 PolarHBondContact OD2-N 2.91Å; D2-E6 PolarHBondContact O-N 2.83Å; D2-E6 VanDerWaalsContact O-N 3.16Å
3R81.7Confident89.7Confident197 Ų19788 Ų8874%0.74343%0.427SS*.Hα-helixtrans-61.2-26.8178.9-68.6-175.1178.6-179.51112.1M1 F7M1-R3 PolarHBondContact O-N 3.34Å; M1-R3 VanDerWaalsContact O-N 3.17Å; R3-F7 WeakPolarHBondContact O-CB 3.1Å; R3-F7 PolarHBondContact O-N 2.97Å
4S87.2Confident90Very high40 Ų4083.9 Ų83.928%0.2841%0.411SS..Hα-helixtrans-72.7-45179.1-173.70000111.9D2 E6 F7 R8 Q110D2-S4 PolarHBondContact O-N 3.48Å; D2-S4 VanDerWaalsContact OD1-CB 3.23Å; D2-S4 WeakPolarHBondContact OD1-CB 3.46Å; D2-S4 PolarHBondContact OD1-N 3.22Å; S4-E6 VanDerWaalsContact C-N 3.33Å; S4-E6 PolarHBondContact O-N 3.31Å; S4-F7 PolarHBondContact O-N 3.36Å; S4-R8 WeakPolarHBondContact O-CG 3.48Å; S4-R8 PolarHBondContact O-N 3.4Å; S4-Q110 PolarHBondContact OG-NE2 3.25Å; S4-Q110 VanDerWaalsContact OG-NE2 3.09Å
5A91.2Very high90.2Very high43 Ų4383.5 Ų83.536%0.35541%0.411SS..Hα-helixtrans-61.6-40.4172.300000112.3D2 R8 K9D2-A5 HydrophobicContact CB-CB 4.13Å; D2-A5 PolarHBondContact O-N 3.16Å; D2-A5 VanDerWaalsContact OD2-CB 3.25Å; D2-A5 WeakPolarHBondContact OD2-CB 3.25Å; D2-A5 PolarHBondContact OD2-N 2.91Å; A5-R8 PolarHBondContact O-N 3.17Å; A5-K9 PolarHBondContact O-N 3.46Å
6E92.8Very high90.4Very high46 Ų4684.3 Ų84.322%0.21543%0.427CS..Hα-helixtrans-63.8-43177.1-165.2177.1-166.400111.8D2 S4 K9 W10D2-E6 PolarHBondContact O-N 2.83Å; D2-E6 VanDerWaalsContact O-N 3.16Å; S4-E6 VanDerWaalsContact C-N 3.33Å; S4-E6 PolarHBondContact O-N 3.31Å; E6-K9 WeakPolarHBondContact O-CB 3.42Å; E6-K9 PolarHBondContact O-N 3.49Å; E6-W10 HydrophobicContact CG-CD2 4.22Å; E6-W10 HydrophobicContact CG-CH2 3.95Å; E6-W10 HydrophobicContact CG-CZ2 3.49Å; E6-W10 VanDerWaalsContact CG-CZ2 3.49Å; E6-W10 HydrophobicContact CG-CZ3 4.48Å; E6-W10 PolarHBondContact O-N 2.98Å; E6-W10 WeakPolarHBondContact OE1-CZ2 3.23Å
7F95.3Very high90.4Very high4 Ų488.1 Ų88.12%0.01844%0.44CS..Hα-helixtrans-61-47.2175.5-175.4-92.5000112.6R3 S4 K9 W10 K11 D41 Q42 F44 Q108 C109 Q110R3-F7 WeakPolarHBondContact O-CB 3.1Å; R3-F7 PolarHBondContact O-N 2.97Å; S4-F7 PolarHBondContact O-N 3.36Å; F7-K9 VanDerWaalsContact C-N 3.26Å; F7-K9 PolarHBondContact O-N 3.07Å; F7-W10 HydrophobicContact CD2-CE3 4.36Å; F7-W10 PolarHBondContact O-N 3.45Å; F7-W10 VanDerWaalsContact O-N 3.1Å; F7-K11 HydrophobicContact CE1-CD 4.42Å; F7-K11 WeakPolarHBondContact O-CB 3.47Å; F7-K11 PolarHBondContact O-N 3.44Å; F7-D41 WeakPolarHBondContact CE1-O 3.47Å; F7-Q42 WeakPolarHBondContact CZ-O 3.39Å; F7-F44 HydrophobicContact CD2-CE1 4.12Å; F7-F44 AromaticContact CE1-CD1 3.99Å; F7-F44 HydrophobicContact CE1-CD1 3.99Å; F7-F44 HydrophobicContact CE1-CE1 4.32Å; F7-F44 AromaticContact CE2-CD1 3.84Å; F7-F44 HydrophobicContact CE2-CD1 3.84Å; F7-F44 AromaticContact CE2-CE1 3.54Å; F7-F44 HydrophobicContact CE2-CE1 3.54Å; F7-F44 AromaticContact CZ-CD1 3.45Å; F7-F44 HydrophobicContact CZ-CD1 3.45Å; F7-F44 VanDerWaalsContact CZ-CD1 3.45Å; F7-F44 AromaticContact CZ-CE1 3.68Å; F7-F44 HydrophobicContact CZ-CE1 3.68Å; F7-Q108 HydrophobicContact CE2-CB 4.45Å; F7-Q108 HydrophobicContact CE2-CG 4.22Å; F7-C109 WeakPolarHBondContact CE2-O 3.24Å; F7-Q110 HydrophobicContact CB-CG 4.28Å; F7-Q110 HydrophobicContact CD1-CB 3.97Å; F7-Q110 HydrophobicContact CD1-CG 4.05Å; F7-Q110 HydrophobicContact CD2-CB 4.08Å; F7-Q110 HydrophobicContact CD2-CG 4.38Å; F7-Q110 HydrophobicContact CE1-CB 3.96Å; F7-Q110 HydrophobicContact CE2-CB 4.05Å; F7-Q110 VanDerWaalsContact CE2-N 3.33Å; F7-Q110 HydrophobicContact CG-CB 4.03Å; F7-Q110 HydrophobicContact CG-CG 3.97Å; F7-Q110 HydrophobicContact CZ-CB 3.97Å
8R95.5Very high90.1Very high149 Ų14987.8 Ų87.856%0.56245%0.454SS*.Hα-helixtrans-58.1-39.6176.7-75.3-175.9-73.6168-3.1111.9S4 A5 K11 A12S4-R8 WeakPolarHBondContact O-CG 3.48Å; S4-R8 PolarHBondContact O-N 3.4Å; A5-R8 PolarHBondContact O-N 3.17Å; R8-K11 PolarHBondContact O-N 3.1Å; R8-A12 WeakPolarHBondContact O-CB 3.34Å; R8-A12 PolarHBondContact O-N 2.98Å
9K94.8Very high89.8Confident130 Ų13086.6 Ų86.657%0.56545%0.448SS*.Hα-helixtrans-63.2-46.3174.1-175.9177.9178.9176.70111.7A5 E6 F7 K11 A12 Q13A5-K9 PolarHBondContact O-N 3.46Å; E6-K9 WeakPolarHBondContact O-CB 3.42Å; E6-K9 PolarHBondContact O-N 3.49Å; F7-K9 VanDerWaalsContact C-N 3.26Å; F7-K9 PolarHBondContact O-N 3.07Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.32Å; K9-A12 PolarHBondContact O-N 3.28Å; K9-Q13 WeakPolarHBondContact O-CB 3.45Å; K9-Q13 VanDerWaalsContact O-CG 3.24Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.38Å
10W94.5Very high89.6Confident36 Ų3690.4 Ų90.414%0.13647%0.468CS..Hα-helixtrans-62.1-41.9176.9-65.5-26.3000112.5E6 F7 Q13 C14 F44 K139E6-W10 HydrophobicContact CG-CD2 4.22Å; E6-W10 HydrophobicContact CG-CH2 3.95Å; E6-W10 HydrophobicContact CG-CZ2 3.49Å; E6-W10 VanDerWaalsContact CG-CZ2 3.49Å; E6-W10 HydrophobicContact CG-CZ3 4.48Å; E6-W10 PolarHBondContact O-N 2.98Å; E6-W10 WeakPolarHBondContact OE1-CZ2 3.23Å; F7-W10 HydrophobicContact CD2-CE3 4.36Å; F7-W10 PolarHBondContact O-N 3.45Å; F7-W10 VanDerWaalsContact O-N 3.1Å; W10-Q13 PolarHBondContact O-N 3.09Å; W10-C14 VanDerWaalsContact O-CB 3.32Å; W10-C14 WeakPolarHBondContact O-CB 3.39Å; W10-C14 PolarHBondContact O-N 3.22Å; W10-F44 HydrophobicContact CB-CE1 4.17Å; W10-F44 HydrophobicContact CB-CZ 3.94Å; W10-K139 HydrophobicContact CE3-CG 4.31Å; W10-K139 HydrophobicContact CH2-CD 4.3Å; W10-K139 HydrophobicContact CH2-CG 3.54Å; W10-K139 HydrophobicContact CZ2-CD 4.38Å; W10-K139 HydrophobicContact CZ2-CG 4.09Å; W10-K139 HydrophobicContact CZ3-CG 3.67Å
11K96.7Very high89.4Confident24 Ų2488.6 Ų88.610%0.10446%0.463CS..Hα-helixtrans-59.1-53.8176176.8163.6-175.7179.40111.3F7 R8 K9 Q13 C14 L15 N38 R40 F43 F44F7-K11 HydrophobicContact CE1-CD 4.42Å; F7-K11 WeakPolarHBondContact O-CB 3.47Å; F7-K11 PolarHBondContact O-N 3.44Å; R8-K11 PolarHBondContact O-N 3.1Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.32Å; K11-Q13 VanDerWaalsContact C-N 3.31Å; K11-Q13 PolarHBondContact O-N 3.47Å; K11-C14 PolarHBondContact O-N 3.18Å; K11-C14 VanDerWaalsContact O-N 3.15Å; K11-L15 HydrophobicContact CD-CD1 4.48Å; K11-L15 HydrophobicContact CG-CD1 3.81Å; K11-L15 HydrophobicContact CG-CG 4.36Å; K11-L15 WeakPolarHBondContact O-CG 3.5Å; K11-L15 PolarHBondContact O-N 3.24Å; K11-N38 WeakPolarHBondContact CE-O 3.5Å; K11-N38 PolarHBondContact NZ-O 2.99Å; K11-R40 PolarHBondContact NZ-O 3.48Å; K11-F43 WeakPolarHBondContact CD-O 3.35Å; K11-F43 WeakPolarHBondContact CE-O 3.32Å; K11-F43 PolarHBondContact NZ-O 3.04Å; K11-F44 HydrophobicContact CB-CB 4.28Å; K11-F44 HydrophobicContact CB-CD1 3.58Å; K11-F44 HydrophobicContact CB-CE1 4.05Å; K11-F44 HydrophobicContact CB-CG 4.05Å; K11-F44 HydrophobicContact CD-CB 4.01Å; K11-F44 HydrophobicContact CD-CD1 4.35Å; K11-F44 HydrophobicContact CG-CB 3.77Å; K11-F44 HydrophobicContact CG-CD1 4.02Å; K11-F44 HydrophobicContact CG-CG 4.1Å
12A96.1Very high90.3Very high64 Ų6486 Ų8653%0.52944%0.441SS..Hα-helixtrans-57.7-44.3178.300000111.8R8 K9 C14 S16R8-A12 WeakPolarHBondContact O-CB 3.34Å; R8-A12 PolarHBondContact O-N 2.98Å; K9-A12 PolarHBondContact O-N 3.28Å; A12-C14 PolarHBondContact O-N 2.99Å; A12-S16 WeakPolarHBondContact O-CB 3.4Å; A12-S16 PolarHBondContact O-N 3.34Å; A12-S16 VanDerWaalsContact O-N 3.11Å; A12-S16 PolarHBondContact O-OG 3.5Å
13Q94.8Very high90.4Very high96 Ų9685.2 Ų85.245%0.44943%0.434SS..Hα-helixtrans-62.3-43176.3-74.6178.1-17.500112.5K9 W10 K11 S16 K17K9-Q13 WeakPolarHBondContact O-CB 3.45Å; K9-Q13 VanDerWaalsContact O-CG 3.24Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.38Å; W10-Q13 PolarHBondContact O-N 3.09Å; K11-Q13 VanDerWaalsContact C-N 3.31Å; K11-Q13 PolarHBondContact O-N 3.47Å; Q13-S16 PolarHBondContact O-OG 2.95Å; Q13-K17 WeakPolarHBondContact O-CG 3.3Å
14C93.8Very high90.7Very high31 Ų3178 Ų7821%0.20942%0.421CS..Hα-helixtrans-66.6-47.6-179.1-165.60000111.5W10 K11 A12 S16 K17 F44W10-C14 VanDerWaalsContact O-CB 3.32Å; W10-C14 WeakPolarHBondContact O-CB 3.39Å; W10-C14 PolarHBondContact O-N 3.22Å; K11-C14 PolarHBondContact O-N 3.18Å; K11-C14 VanDerWaalsContact O-N 3.15Å; A12-C14 PolarHBondContact O-N 2.99Å; C14-S16 VanDerWaalsContact C-N 3.26Å; C14-S16 PolarHBondContact O-N 3.11Å; C14-K17 WeakPolarHBondContact O-CB 3.22Å; C14-K17 PolarHBondContact O-N 3.15Å; C14-F44 HydrophobicContact CB-CD2 3.69Å; C14-F44 HydrophobicContact CB-CE2 3.58Å
15L93.8Very high91Very high78 Ų7878.6 Ų78.641%0.40843%0.425SS..Hα-helixtrans-72.3-17.8-177-60.6-179000113.6K11 K17 N38 F44K11-L15 HydrophobicContact CD-CD1 4.48Å; K11-L15 HydrophobicContact CG-CD1 3.81Å; K11-L15 HydrophobicContact CG-CG 4.36Å; K11-L15 WeakPolarHBondContact O-CG 3.5Å; K11-L15 PolarHBondContact O-N 3.24Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-N38 HydrophobicContact CD1-CB 4.26Å; L15-N38 HydrophobicContact CD2-CB 4.21Å; L15-F44 HydrophobicContact CD2-CB 4.5Å
16S92.7Very high91.1Very high95 Ų9578.8 Ų78.866%0.66442%0.422SS*.THydrogen-bonded Turntrans-78.8-11.8174.169.50000114.4A12 Q13 C14A12-S16 WeakPolarHBondContact O-CB 3.4Å; A12-S16 PolarHBondContact O-N 3.34Å; A12-S16 VanDerWaalsContact O-N 3.11Å; A12-S16 PolarHBondContact O-OG 3.5Å; Q13-S16 PolarHBondContact O-OG 2.95Å; C14-S16 VanDerWaalsContact C-N 3.26Å; C14-S16 PolarHBondContact O-N 3.11Å
17K90.5Very high91.2Very high149 Ų14977 Ų7765%0.64841%0.414SS*.SBendtrans-79.8146.7-176.7-68.7175.7-177.3-177.30111Q13 C14 L15Q13-K17 WeakPolarHBondContact O-CG 3.3Å; C14-K17 WeakPolarHBondContact O-CB 3.22Å; C14-K17 PolarHBondContact O-N 3.15Å; L15-K17 VanDerWaalsContact C-N 3.32Å
18A85.5Confident91.1Very high83 Ų8382.3 Ų82.369%0.68644%0.438SS*.PPolyproline II helixtrans-65.2153.3166.300000111L20A18-L20 PolarHBondContact O-N 2.86Å
19D85.1Confident91.1Very high65 Ų6578.5 Ų78.535%0.34843%0.429SS..PPolyproline II helixtrans-67.2126.9174.1-165.6-46000110.2S21 S25 V26D19-S21 WeakPolarHBondContact OD1-CA 3.4Å; D19-S21 WeakPolarHBondContact OD1-CB 3.45Å; D19-S21 PolarHBondContact OD1-N 2.85Å; D19-S21 PolarHBondContact OD1-OG 3.49Å; D19-S25 VanDerWaalsContact OD2-CA 3.26Å; D19-S25 WeakPolarHBondContact OD2-CA 3.14Å; D19-S25 PolarHBondContact OD2-N 2.96Å; D19-V26 PolarHBondContact OD2-N 2.8Å; D19-V26 VanDerWaalsContact OD2-N 3.17Å
20L85.8Confident91.2Very high162 Ų16272.3 Ų72.385%0.84840%0.403SS*.  trans-100.93.4-177.9-60.1178.8000113A18A18-L20 PolarHBondContact O-N 2.86Å
21S84.8Confident91.3Very high53 Ų5372.9 Ų72.937%0.37141%0.41SS..SBendtrans-65.4157.3172.871.50000110.4D19 K23 G24D19-S21 WeakPolarHBondContact OD1-CA 3.4Å; D19-S21 WeakPolarHBondContact OD1-CB 3.45Å; D19-S21 PolarHBondContact OD1-N 2.85Å; D19-S21 PolarHBondContact OD1-OG 3.49Å; S21-K23 PolarHBondContact O-N 2.9Å; S21-G24 PolarHBondContact O-N 3.46Å; S21-G24 PolarHBondContact OG-N 2.88Å; S21-G24 VanDerWaalsContact OG-N 3.07Å
22R80.6Confident91.3Very high164 Ų16477.6 Ų77.662%0.61943%0.432SS*.THydrogen-bonded Turntrans-61.8-25.9174-68.1-173.4-180-165.95.3112.8W72R22-W72 VanDerWaalsContact NH1-CE2 3.29Å
23K85.4Confident91.4Very high80 Ų8074.7 Ų74.735%0.34841%0.408SS..THydrogen-bonded Turntrans-73.8-30.5175.2-169.5-176.7-179.9-169.30111.4S21 S25 D27 E28S21-K23 PolarHBondContact O-N 2.9Å; K23-S25 PolarHBondContact O-N 3.31Å; K23-D27 WeakPolarHBondContact CD-OD1 3.38Å; K23-D27 IonicContact NZ-OD1 2.97Å; K23-D27 PolarHBondContact NZ-OD1 2.82Å; K23-E28 VanDerWaalsContact NZ-CD 3.26Å; K23-E28 IonicContact NZ-OE1 3.07Å; K23-E28 PolarHBondContact NZ-OE1 2.78Å; K23-E28 IonicContact NZ-OE2 2.73Å; K23-E28 PolarHBondContact NZ-OE2 2.84Å
24G88.6Confident91.6Very high47 Ų4770.6 Ų70.649%0.48539%0.389SS..SBendtrans7511.8-176.900000113.7S21S21-G24 PolarHBondContact O-N 3.46Å; S21-G24 PolarHBondContact OG-N 2.88Å; S21-G24 VanDerWaalsContact OG-N 3.07Å
25S92.3Very high91.7Very high51 Ų5174.7 Ų74.736%0.35741%0.405SS..SBendtrans-154.7158.1176.874.30000111.5D19 K23D19-S25 VanDerWaalsContact OD2-CA 3.26Å; D19-S25 WeakPolarHBondContact OD2-CA 3.14Å; D19-S25 PolarHBondContact OD2-N 2.96Å; K23-S25 PolarHBondContact O-N 3.31Å
26V93.5Very high91.9Very high48 Ų4872 Ų7229%0.29139%0.39SS..  trans-63.4145.5170.1-178.10000109.8D19 V30 V31 V34D19-V26 PolarHBondContact OD2-N 2.8Å; D19-V26 VanDerWaalsContact OD2-N 3.17Å; V26-V30 HydrophobicContact CG1-CG2 4.07Å; V26-V31 HydrophobicContact CG1-CB 4.39Å; V26-V31 HydrophobicContact CG1-CG2 4.49Å; V26-V34 HydrophobicContact CG1-CB 4.33Å; V26-V34 HydrophobicContact CG1-CG2 4.06Å
27D94.6Very high92.1Very high8 Ų867.4 Ų67.44%0.04336%0.359CS..  trans-69.1138.4176-68-36.7000112.3K23 D29 V30 V31 A50 H77K23-D27 WeakPolarHBondContact CD-OD1 3.38Å; K23-D27 IonicContact NZ-OD1 2.97Å; K23-D27 PolarHBondContact NZ-OD1 2.82Å; D27-D29 VanDerWaalsContact C-N 3.26Å; D27-D29 PolarHBondContact O-N 3.17Å; D27-V30 HydrophobicContact CB-CG2 3.97Å; D27-V30 WeakPolarHBondContact O-CG2 3.2Å; D27-V30 PolarHBondContact O-N 2.65Å; D27-V31 PolarHBondContact O-N 3.09Å; D27-A50 HydrophobicContact CB-CB 3.49Å; D27-A50 VanDerWaalsContact CB-CB 3.49Å; D27-A50 PolarHBondContact OD2-N 3.08Å; D27-H77 IonicContact OD1-CD2 3.45Å; D27-H77 PolarHBondContact OD1-CD2 3.02Å; D27-H77 IonicContact OD1-CG 2.93Å; D27-H77 IonicContact OD1-ND1 3.98Å; D27-H77 IonicContact OD1-NE2 3.77Å; D27-H77 IonicContact OD2-CD2 3.21Å; D27-H77 PolarHBondContact OD2-CD2 3.18Å; D27-H77 IonicContact OD2-NE2 3.66Å
28E94.3Very high92.5Very high115 Ų11561.9 Ų61.954%0.53734%0.336SS..G310 helixtrans-58.8-39.9-174.7-63.974.4-163.300111.2K23 V30 V31K23-E28 VanDerWaalsContact NZ-CD 3.26Å; K23-E28 IonicContact NZ-OE1 3.07Å; K23-E28 PolarHBondContact NZ-OE1 2.78Å; K23-E28 IonicContact NZ-OE2 2.73Å; K23-E28 PolarHBondContact NZ-OE2 2.84Å; E28-V30 PolarHBondContact O-N 2.77Å; E28-V30 VanDerWaalsContact O-N 3.13Å; E28-V31 VanDerWaalsContact O-CG1 3.32Å; E28-V31 WeakPolarHBondContact O-CG1 3.16Å; E28-V31 PolarHBondContact O-N 2.94Å
29D94.8Very high93Very high69 Ų6962.7 Ų62.737%0.36933%0.333SS..G310 helixtrans-65.8-14.7-179.1-71.4-16.6000113.9D27 A50 K182D27-D29 VanDerWaalsContact C-N 3.26Å; D27-D29 PolarHBondContact O-N 3.17Å; D29-A50 HydrophobicContact CB-CB 3.89Å; D29-K182 IonicContact OD1-NZ 2.74Å; D29-K182 PolarHBondContact OD1-NZ 3.31Å; D29-K182 VanDerWaalsContact OD2-CE 3.23Å; D29-K182 WeakPolarHBondContact OD2-CE 3.43Å; D29-K182 IonicContact OD2-NZ 2.78Å; D29-K182 PolarHBondContact OD2-NZ 3.11Å
30V96.9Very high93.5Very high1 Ų163.6 Ų63.61%0.00633%0.331CS..G310 helixtrans-126.73.8-178.7-60.60000113.2V26 D27 E28 E32 L33 V34 A50 F103 I185V26-V30 HydrophobicContact CG1-CG2 4.07Å; D27-V30 HydrophobicContact CB-CG2 3.97Å; D27-V30 WeakPolarHBondContact O-CG2 3.2Å; D27-V30 PolarHBondContact O-N 2.65Å; E28-V30 PolarHBondContact O-N 2.77Å; E28-V30 VanDerWaalsContact O-N 3.13Å; V30-E32 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 3.04Å; V30-L33 PolarHBondContact O-N 3.18Å; V30-V34 HydrophobicContact CG2-CG2 4.46Å; V30-V34 WeakPolarHBondContact O-CG2 3.47Å; V30-V34 PolarHBondContact O-N 2.83Å; V30-A50 HydrophobicContact CG1-CB 3.76Å; V30-A50 HydrophobicContact CG2-CB 4.18Å; V30-F103 HydrophobicContact CB-CE2 4.32Å; V30-F103 HydrophobicContact CG1-CD2 3.79Å; V30-F103 HydrophobicContact CG1-CE2 3.58Å; V30-I185 HydrophobicContact CG1-CD1 3.93Å; V30-I185 HydrophobicContact CG1-CG1 4.4Å; V30-I185 HydrophobicContact CG1-CG2 3.91Å
31V96.6Very high94Very high48 Ų4862 Ų6229%0.29132%0.324SS..Hα-helixtrans-61-43-17572.70000111.6V26 D27 E28 V34 Q35V26-V31 HydrophobicContact CG1-CB 4.39Å; V26-V31 HydrophobicContact CG1-CG2 4.49Å; D27-V31 PolarHBondContact O-N 3.09Å; E28-V31 VanDerWaalsContact O-CG1 3.32Å; E28-V31 WeakPolarHBondContact O-CG1 3.16Å; E28-V31 PolarHBondContact O-N 2.94Å; V31-V34 PolarHBondContact O-N 3.24Å; V31-Q35 WeakPolarHBondContact O-CB 3.43Å; V31-Q35 VanDerWaalsContact O-CG 3.27Å; V31-Q35 WeakPolarHBondContact O-CG 3.38Å; V31-Q35 PolarHBondContact O-N 2.86Å
32E97.5Very high94.5Very high122 Ų12262.1 Ų62.157%0.5732%0.318SS*.Hα-helixtrans-65.4-43.7179-64.7-172.9-174.900111.7V30 V34 Q35 F36V30-E32 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 3.04Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 2.78Å; E32-Q35 PolarHBondContact O-N 2.82Å; E32-F36 WeakPolarHBondContact O-CB 3.4Å; E32-F36 PolarHBondContact O-N 3.21Å
33L97.9Very high95.3Very high4 Ų454.3 Ų54.32%0.02129%0.289CS..Hα-helixtrans-59.8-45.6175.9169.363.3000111.5V30 F36 L37 F103 L105 F188 Y189 L192V30-L33 PolarHBondContact O-N 3.18Å; L33-F36 PolarHBondContact O-N 2.79Å; L33-L37 HydrophobicContact CD1-CD1 4.07Å; L33-L37 HydrophobicContact CD1-CG 4.42Å; L33-L37 HydrophobicContact CG-CD1 4.4Å; L33-L37 PolarHBondContact O-N 3.31Å; L33-F103 HydrophobicContact CD2-CE2 4.3Å; L33-F103 HydrophobicContact CD2-CZ 3.72Å; L33-L105 HydrophobicContact CD2-CD2 4.24Å; L33-F188 HydrophobicContact CD1-CD1 4.06Å; L33-F188 HydrophobicContact CD1-CE1 3.8Å; L33-F188 HydrophobicContact CD2-CD1 3.77Å; L33-F188 HydrophobicContact CD2-CE1 3.87Å; L33-F188 HydrophobicContact CG-CE1 4.44Å; L33-Y189 HydrophobicContact CB-CD2 3.92Å; L33-Y189 HydrophobicContact CB-CE2 4.34Å; L33-Y189 HydrophobicContact CD1-CD2 3.68Å; L33-Y189 HydrophobicContact CD1-CE2 4.45Å; L33-Y189 HydrophobicContact CG-CD2 4.4Å; L33-L192 HydrophobicContact CD1-CD2 3.69Å
34V97.8Very high95.9Very high9 Ų950.6 Ų50.66%0.05527%0.273CS..Hα-helixtrans-63.7-47178.9167.30000110.7V26 V30 V31 E32 L37 N38 T45 L105V26-V34 HydrophobicContact CG1-CB 4.33Å; V26-V34 HydrophobicContact CG1-CG2 4.06Å; V30-V34 HydrophobicContact CG2-CG2 4.46Å; V30-V34 WeakPolarHBondContact O-CG2 3.47Å; V30-V34 PolarHBondContact O-N 2.83Å; V31-V34 PolarHBondContact O-N 3.24Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 2.78Å; V34-L37 PolarHBondContact O-N 2.85Å; V34-N38 WeakPolarHBondContact O-CB 3.3Å; V34-N38 PolarHBondContact O-N 2.89Å; V34-N38 PolarHBondContact O-ND2 3.07Å; V34-T45 HydrophobicContact CG1-CG2 4.21Å; V34-T45 HydrophobicContact CG2-CG2 4.45Å; V34-L105 HydrophobicContact CG2-CD1 4.41Å
35Q97.1Very high96.4Very high117 Ų11749 Ų4955%0.54725%0.253SS..Hα-helixtrans-60.6-48.4176.7-73.9174.5-1.900110.9V31 E32 L37 N38 T39V31-Q35 WeakPolarHBondContact O-CB 3.43Å; V31-Q35 VanDerWaalsContact O-CG 3.27Å; V31-Q35 WeakPolarHBondContact O-CG 3.38Å; V31-Q35 PolarHBondContact O-N 2.86Å; E32-Q35 PolarHBondContact O-N 2.82Å; Q35-L37 PolarHBondContact O-N 3.27Å; Q35-N38 CarbonylContact O-C 3.48Å; Q35-N38 PolarHBondContact O-N 2.88Å; Q35-N38 VanDerWaalsContact O-N 3.07Å; Q35-T39 WeakPolarHBondContact O-CG2 3.46Å; Q35-T39 PolarHBondContact O-N 3.46Å
36F97.7Very high96.6Very high21 Ų2149.3 Ų49.39%0.09225%0.253CS..Hα-helixtrans-54.2-51.4178.8177-106.9000112.1E32 L33 N38 T39 R40 Y189 L192 H193 L196E32-F36 WeakPolarHBondContact O-CB 3.4Å; E32-F36 PolarHBondContact O-N 3.21Å; L33-F36 PolarHBondContact O-N 2.79Å; F36-N38 VanDerWaalsContact C-N 3.32Å; F36-N38 PolarHBondContact O-N 3.04Å; F36-T39 PolarHBondContact O-N 3.22Å; F36-T39 PolarHBondContact O-OG1 3.18Å; F36-R40 VanDerWaalsContact CZ-NH2 3.3Å; F36-Y189 HydrophobicContact CB-CE2 3.9Å; F36-Y189 HydrophobicContact CD1-CE2 4.2Å; F36-Y189 HydrophobicContact CG-CE2 4.08Å; F36-L192 HydrophobicContact CD1-CD2 3.96Å; F36-L192 HydrophobicContact CD1-CG 4.45Å; F36-L192 HydrophobicContact CE1-CD2 3.97Å; F36-L192 HydrophobicContact CE1-CG 3.96Å; F36-H193 AromaticContact CD2-CE1 3.37Å; F36-H193 WeakPolarHBondContact CD2-CE1 3.46Å; F36-H193 AromaticContact CD2-NE2 3.87Å; F36-H193 AromaticContact CE2-CE1 3.05Å; F36-H193 WeakPolarHBondContact CE2-CE1 3.42Å; F36-H193 AromaticContact CE2-ND1 3.29Å; F36-H193 VanDerWaalsContact CE2-ND1 3.29Å; F36-H193 WeakPolarHBondContact CE2-ND1 3.19Å; F36-H193 AromaticContact CE2-NE2 3.88Å; F36-H193 AromaticContact CZ-CE1 3.48Å; F36-H193 VanDerWaalsContact CZ-CE1 3.48Å; F36-H193 WeakPolarHBondContact CZ-CE1 3.44Å; F36-H193 AromaticContact CZ-CG 3.93Å; F36-H193 AromaticContact CZ-ND1 3.3Å; F36-H193 VanDerWaalsContact CZ-ND1 3.3Å; F36-H193 WeakPolarHBondContact CZ-ND1 3.43Å; F36-L196 HydrophobicContact CE1-CD1 3.79Å; F36-L196 HydrophobicContact CZ-CD1 4.06Å
37L97.6Very high96.7Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-59.2-44176-77.9167.3000111.8L33 V34 Q35 T39 R40 F43 T45 L105 V107 L118 L192L33-L37 HydrophobicContact CD1-CD1 4.07Å; L33-L37 HydrophobicContact CD1-CG 4.42Å; L33-L37 HydrophobicContact CG-CD1 4.4Å; L33-L37 PolarHBondContact O-N 3.31Å; V34-L37 PolarHBondContact O-N 2.85Å; Q35-L37 PolarHBondContact O-N 3.27Å; L37-T39 VanDerWaalsContact C-N 3.25Å; L37-T39 PolarHBondContact O-N 2.63Å; L37-R40 PolarHBondContact O-N 3.17Å; L37-R40 VanDerWaalsContact O-N 3.11Å; L37-F43 HydrophobicContact CD2-CB 4.32Å; L37-F43 HydrophobicContact CD2-CD2 4.13Å; L37-F43 HydrophobicContact CD2-CG 4.21Å; L37-T45 HydrophobicContact CB-CG2 3.99Å; L37-T45 HydrophobicContact CD1-CG2 3.99Å; L37-L105 HydrophobicContact CD1-CD2 3.71Å; L37-V107 HydrophobicContact CD1-CG2 3.92Å; L37-L118 HydrophobicContact CD2-CD1 4.33Å; L37-L118 HydrophobicContact CD2-CD2 4.03Å; L37-L192 HydrophobicContact CD1-CD2 4.49Å; L37-L192 HydrophobicContact CD2-CD2 3.78Å; L37-L192 HydrophobicContact CG-CD2 4.04Å
38N97.3Very high96.8Very high32 Ų3251.1 Ų51.117%0.17127%0.268CS..Hα-helixtrans-67.3-22.6-179-70.3-23.9000113.3K11 L15 V34 Q35 F36 R40 F44 T45K11-N38 WeakPolarHBondContact CE-O 3.5Å; K11-N38 PolarHBondContact NZ-O 2.99Å; L15-N38 HydrophobicContact CD1-CB 4.26Å; L15-N38 HydrophobicContact CD2-CB 4.21Å; V34-N38 WeakPolarHBondContact O-CB 3.3Å; V34-N38 PolarHBondContact O-N 2.89Å; V34-N38 PolarHBondContact O-ND2 3.07Å; Q35-N38 CarbonylContact O-C 3.48Å; Q35-N38 PolarHBondContact O-N 2.88Å; Q35-N38 VanDerWaalsContact O-N 3.07Å; F36-N38 VanDerWaalsContact C-N 3.32Å; F36-N38 PolarHBondContact O-N 3.04Å; N38-R40 VanDerWaalsContact C-N 3.31Å; N38-F44 WeakPolarHBondContact OD1-CA 3.48Å; N38-T45 VanDerWaalsContact CG-OG1 3.32Å; N38-T45 PolarHBondContact ND2-OG1 3.3Å; N38-T45 PolarHBondContact OD1-N 3.02Å; N38-T45 PolarHBondContact OD1-OG1 3.21Å
39T96.3Very high96.9Very high101 Ų10146.3 Ų46.362%0.6225%0.248SC*.Hα-helixtrans-73.6-19.217365.10000113.7Q35 F36 L37Q35-T39 WeakPolarHBondContact O-CG2 3.46Å; Q35-T39 PolarHBondContact O-N 3.46Å; F36-T39 PolarHBondContact O-N 3.22Å; F36-T39 PolarHBondContact O-OG1 3.18Å; L37-T39 VanDerWaalsContact C-N 3.25Å; L37-T39 PolarHBondContact O-N 2.63Å
40R95.9Very high97Very high83 Ų8343.1 Ų43.131%0.31323%0.231SC..SBendtrans-87.7130.5-177-57.6-56.9-175.4169.52.8111.4K11 F36 L37 N38 Q42 F43 L196K11-R40 PolarHBondContact NZ-O 3.48Å; F36-R40 VanDerWaalsContact CZ-NH2 3.3Å; L37-R40 PolarHBondContact O-N 3.17Å; L37-R40 VanDerWaalsContact O-N 3.11Å; N38-R40 VanDerWaalsContact C-N 3.31Å; R40-Q42 PolarHBondContact O-N 2.79Å; R40-Q42 VanDerWaalsContact O-N 3.08Å; R40-F43 HydrophobicContact CB-CD2 3.75Å; R40-F43 HydrophobicContact CB-CE2 4.48Å; R40-F43 HydrophobicContact CG-CD2 4.3Å; R40-F43 PolarHBondContact O-N 3.37Å; R40-F43 VanDerWaalsContact O-N 3.09Å; R40-L196 HydrophobicContact CG-CD1 4.21Å
41D95.8Very high96.9Very high129 Ų12943 Ų4369%0.6923%0.23SC*.THydrogen-bonded Turntrans-58.7-27.1-177.6-71.2-30.1000114.3F7 F43F7-D41 WeakPolarHBondContact CE1-O 3.47Å; D41-F43 VanDerWaalsContact C-N 3.32Å; D41-F43 PolarHBondContact O-N 3.02Å
42Q96.3Very high96.9Very high56 Ų5643.8 Ų43.826%0.26223%0.228SC..THydrogen-bonded Turntrans-77.1-15.6-177.9-60.8167.4-1200113.6F7 R40 C109 Q110 D114F7-Q42 WeakPolarHBondContact CZ-O 3.39Å; R40-Q42 PolarHBondContact O-N 2.79Å; R40-Q42 VanDerWaalsContact O-N 3.08Å; Q42-C109 CarbonylContact O-C 3.57Å; Q42-C109 WeakPolarHBondContact O-CA 3.32Å; Q42-Q110 PolarHBondContact O-N 3.49Å; Q42-D114 HydrophobicContact CB-CB 4.42Å
43F97.6Very high96.9Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-134.1151.7-168.1-53.4-62.3000112.8K11 L37 R40 D41 V107 Q108 C109 D114 L118 L196K11-F43 WeakPolarHBondContact CD-O 3.35Å; K11-F43 WeakPolarHBondContact CE-O 3.32Å; K11-F43 PolarHBondContact NZ-O 3.04Å; L37-F43 HydrophobicContact CD2-CB 4.32Å; L37-F43 HydrophobicContact CD2-CD2 4.13Å; L37-F43 HydrophobicContact CD2-CG 4.21Å; R40-F43 HydrophobicContact CB-CD2 3.75Å; R40-F43 HydrophobicContact CB-CE2 4.48Å; R40-F43 HydrophobicContact CG-CD2 4.3Å; R40-F43 PolarHBondContact O-N 3.37Å; R40-F43 VanDerWaalsContact O-N 3.09Å; D41-F43 VanDerWaalsContact C-N 3.32Å; D41-F43 PolarHBondContact O-N 3.02Å; F43-V107 HydrophobicContact CB-CG1 3.95Å; F43-V107 HydrophobicContact CD1-CG1 4.13Å; F43-V107 HydrophobicContact CG-CG1 4.36Å; F43-Q108 WeakPolarHBondContact CA-O 3.2Å; F43-C109 HydrophobicContact CD1-CB 4.26Å; F43-C109 HydrophobicContact CE1-CB 4.31Å; F43-D114 HydrophobicContact CD1-CB 4.49Å; F43-D114 HydrophobicContact CE1-CB 3.56Å; F43-D114 HydrophobicContact CZ-CB 3.89Å; F43-L118 HydrophobicContact CD1-CD1 3.57Å; F43-L118 HydrophobicContact CD1-CG 4.27Å; F43-L118 HydrophobicContact CE1-CD1 3.4Å; F43-L118 VanDerWaalsContact CE1-CD1 3.4Å; F43-L118 HydrophobicContact CE1-CD2 4.24Å; F43-L118 HydrophobicContact CE1-CG 3.6Å; F43-L118 HydrophobicContact CE2-CD2 4.43Å; F43-L118 HydrophobicContact CG-CD1 4.32Å; F43-L118 HydrophobicContact CZ-CD1 4.09Å; F43-L118 HydrophobicContact CZ-CD2 4.08Å; F43-L118 HydrophobicContact CZ-CG 3.85Å; F43-L196 HydrophobicContact CE2-CD1 4.07Å; F43-L196 HydrophobicContact CE2-CD2 3.93Å; F43-L196 HydrophobicContact CZ-CD2 4.29Å
44F98Very high96.8Very high2 Ų237.8 Ų37.81%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-150.3144.7153.965.3-89000111.2F7 W10 K11 C14 L15 N38 T46 V107 Q108F7-F44 HydrophobicContact CD2-CE1 4.12Å; F7-F44 AromaticContact CE1-CD1 3.99Å; F7-F44 HydrophobicContact CE1-CD1 3.99Å; F7-F44 HydrophobicContact CE1-CE1 4.32Å; F7-F44 AromaticContact CE2-CD1 3.84Å; F7-F44 HydrophobicContact CE2-CD1 3.84Å; F7-F44 AromaticContact CE2-CE1 3.54Å; F7-F44 HydrophobicContact CE2-CE1 3.54Å; F7-F44 AromaticContact CZ-CD1 3.45Å; F7-F44 HydrophobicContact CZ-CD1 3.45Å; F7-F44 VanDerWaalsContact CZ-CD1 3.45Å; F7-F44 AromaticContact CZ-CE1 3.68Å; F7-F44 HydrophobicContact CZ-CE1 3.68Å; W10-F44 HydrophobicContact CB-CE1 4.17Å; W10-F44 HydrophobicContact CB-CZ 3.94Å; K11-F44 HydrophobicContact CB-CB 4.28Å; K11-F44 HydrophobicContact CB-CD1 3.58Å; K11-F44 HydrophobicContact CB-CE1 4.05Å; K11-F44 HydrophobicContact CB-CG 4.05Å; K11-F44 HydrophobicContact CD-CB 4.01Å; K11-F44 HydrophobicContact CD-CD1 4.35Å; K11-F44 HydrophobicContact CG-CB 3.77Å; K11-F44 HydrophobicContact CG-CD1 4.02Å; K11-F44 HydrophobicContact CG-CG 4.1Å; C14-F44 HydrophobicContact CB-CD2 3.69Å; C14-F44 HydrophobicContact CB-CE2 3.58Å; L15-F44 HydrophobicContact CD2-CB 4.5Å; N38-F44 WeakPolarHBondContact OD1-CA 3.48Å; F44-T46 HydrophobicContact CD2-CG2 4.07Å; F44-T46 HydrophobicContact CE2-CG2 3.72Å; F44-V107 CarbonylContact O-C 3.58Å; F44-V107 WeakPolarHBondContact O-CA 3.35Å; F44-Q108 HydrophobicContact CD1-CB 3.99Å; F44-Q108 HydrophobicContact CD2-CB 4.18Å; F44-Q108 HydrophobicContact CE1-CB 3.57Å; F44-Q108 HydrophobicContact CE1-CG 3.98Å; F44-Q108 HydrophobicContact CE2-CB 3.75Å; F44-Q108 HydrophobicContact CG-CB 4.3Å; F44-Q108 HydrophobicContact CZ-CB 3.44Å; F44-Q108 VanDerWaalsContact CZ-CB 3.44Å; F44-Q108 HydrophobicContact CZ-CG 3.85Å; F44-Q108 VanDerWaalsContact CZ-OE1 3.22Å; F44-Q108 PolarHBondContact N-O 3.44Å; F44-Q108 PolarHBondContact O-N 3.05Å
45T97.8Very high96.7Very high13 Ų1337.4 Ų37.48%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-79.1143.3175.858.10000110.5V34 L37 N38 L105 H106 V107V34-T45 HydrophobicContact CG1-CG2 4.21Å; V34-T45 HydrophobicContact CG2-CG2 4.45Å; L37-T45 HydrophobicContact CB-CG2 3.99Å; L37-T45 HydrophobicContact CD1-CG2 3.99Å; N38-T45 VanDerWaalsContact CG-OG1 3.32Å; N38-T45 PolarHBondContact ND2-OG1 3.3Å; N38-T45 PolarHBondContact OD1-N 3.02Å; N38-T45 PolarHBondContact OD1-OG1 3.21Å; T45-L105 HydrophobicContact CG2-CD1 3.89Å; T45-H106 WeakPolarHBondContact CA-O 3.14Å; T45-V107 HydrophobicContact CG2-CG2 4.49Å
46T96.5Very high96.5Very high58 Ų5833.2 Ų33.236%0.35618%0.179SC..EExtended strand (participates in β ladder)trans-113.3-28177.156.70000112.5F44 H106 Q108 M141F44-T46 HydrophobicContact CD2-CG2 4.07Å; F44-T46 HydrophobicContact CE2-CG2 3.72Å; T46-H106 PolarHBondContact N-O 2.97Å; T46-H106 WeakPolarHBondContact OG1-CB 3.47Å; T46-H106 PolarHBondContact OG1-O 3.34Å; T46-Q108 HydrophobicContact CG2-CB 4.48Å; T46-M141 HydrophobicContact CG2-CE 4.09Å
47S95.5Very high96.1Very high58 Ų5833.2 Ų33.241%0.40618%0.18SC..EExtended strand (participates in β ladder)trans-164.7153.5172.652.40000110.2H106S47-H106 PolarHBondContact O-N 3.32Å; S47-H106 PolarHBondContact OG-ND1 2.95Å
48S96.8Very high95.2Very high35 Ų3535 Ų3525%0.24520%0.198CC..EExtended strand (participates in β ladder)trans-149.2158.3173.258.10000111I104S48-I104 CarbonylContact C-O 3.51Å; S48-I104 VanDerWaalsContact CA-O 3.26Å; S48-I104 WeakPolarHBondContact CA-O 3.29Å
49C96.6Very high94.1Very high15 Ų1534.9 Ų34.910%0.10120%0.204CC..EExtended strand (participates in β ladder)trans-148.2132.1163176.70000107.4G51 F103 I104C49-G51 PolarHBondContact O-N 3.4Å; C49-G51 PolarHBondContact SG-N 3.39Å; C49-F103 WeakPolarHBondContact O-CA 3.34Å; C49-F103 WeakPolarHBondContact O-CD2 3.24Å; C49-I104 HydrophobicContact CB-CG2 3.88Å; C49-I104 PolarHBondContact N-O 3.03Å; C49-I104 PolarHBondContact O-N 3.07Å
50A96.7Very high92.5Very high1 Ų135.2 Ų35.21%0.00820%0.201CC..  trans-69.3-14.2-179.400000113.2D27 D29 V30 N181 I185D27-A50 HydrophobicContact CB-CB 3.49Å; D27-A50 VanDerWaalsContact CB-CB 3.49Å; D27-A50 PolarHBondContact OD2-N 3.08Å; D29-A50 HydrophobicContact CB-CB 3.89Å; V30-A50 HydrophobicContact CG1-CB 3.76Å; V30-A50 HydrophobicContact CG2-CB 4.18Å; A50-N181 PolarHBondContact O-ND2 3.07Å; A50-I185 WeakPolarHBondContact O-CD1 3.46Å
51G96.6Very high90.9Very high0 Ų038.2 Ų38.20%022%0.224CC..  trans113.2148.3-171.200000110.3C49 H77 E101C49-G51 PolarHBondContact O-N 3.4Å; C49-G51 PolarHBondContact SG-N 3.39Å; G51-H77 PolarHBondContact O-CD2 3.31Å; G51-H77 VanDerWaalsContact O-CD2 3.31Å; G51-E101 CarbonylContact C-O 3.59Å; G51-E101 WeakPolarHBondContact CA-O 3.16Å
52R96.6Very high89.1Confident63 Ų6333.4 Ų33.424%0.23820%0.204CC..EExtended strand (participates in β ladder)trans-150.8147.9-172.553.1173.9-175.8-139.13.9112.6L54 V75 T76 F100 E101R52-L54 HydrophobicContact CB-CD2 4.43Å; R52-L54 HydrophobicContact CG-CD2 3.63Å; R52-V75 HydrophobicContact CB-CG1 4.48Å; R52-T76 CarbonylContact C-O 3.34Å; R52-T76 VanDerWaalsContact CA-O 3.22Å; R52-T76 WeakPolarHBondContact CA-O 3.44Å; R52-T76 WeakPolarHBondContact CB-O 3.47Å; R52-F100 WeakPolarHBondContact O-CA 3.39Å; R52-E101 HydrophobicContact CG-CB 4.19Å; R52-E101 IonicContact CZ-OE2 2.75Å; R52-E101 PolarHBondContact N-O 2.74Å; R52-E101 IonicContact NE-OE2 3.82Å; R52-E101 PolarHBondContact NE-OE2 3.5Å; R52-E101 IonicContact NH2-OE2 3.27Å; R52-E101 PolarHBondContact NH2-OE2 2.92Å; R52-E101 PolarHBondContact O-N 3.05Å
53I97.5Very high87.2Confident0 Ų039.6 Ų39.60%023%0.231CC..EExtended strand (participates in β ladder)trans-100.6132.4163.8-62.2167.8000107V75 T76 C80 L98 K99 F100 A174 N175 M178I53-V75 WeakPolarHBondContact O-CA 3.49Å; I53-T76 HydrophobicContact CB-CG2 3.91Å; I53-T76 PolarHBondContact N-O 3.01Å; I53-T76 PolarHBondContact O-N 3.22Å; I53-C80 HydrophobicContact CB-CB 4.34Å; I53-C80 HydrophobicContact CD1-CB 3.73Å; I53-C80 HydrophobicContact CG2-CB 4.07Å; I53-L98 HydrophobicContact CG2-CD1 3.88Å; I53-K99 CarbonylContact C-O 3.56Å; I53-K99 WeakPolarHBondContact CA-O 3.29Å; I53-F100 HydrophobicContact CG1-CD2 3.93Å; I53-A174 HydrophobicContact CD1-CB 3.85Å; I53-A174 HydrophobicContact CG1-CB 4.24Å; I53-N175 VanDerWaalsContact CD1-OD1 3.32Å; I53-N175 WeakPolarHBondContact CD1-OD1 3.5Å; I53-M178 HydrophobicContact CD1-CE 4.33Å; I53-M178 HydrophobicContact CG1-CE 4Å
54L95.7Very high85.4Confident1 Ų147 Ų471%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-139.2145.9-177.350.5130.3000111.7R52 L56 L74 V75 L98 K99 E101R52-L54 HydrophobicContact CB-CD2 4.43Å; R52-L54 HydrophobicContact CG-CD2 3.63Å; L54-L56 HydrophobicContact CD1-CD1 3.53Å; L54-L56 HydrophobicContact CD1-CD2 3.89Å; L54-L56 HydrophobicContact CD1-CG 3.49Å; L54-L56 VanDerWaalsContact CD1-CG 3.49Å; L54-L74 CarbonylContact C-O 3.47Å; L54-L74 VanDerWaalsContact CA-O 3.27Å; L54-L74 WeakPolarHBondContact CA-O 3.26Å; L54-V75 HydrophobicContact CB-CG2 3.74Å; L54-L98 CarbonylContact O-C 3.57Å; L54-L98 WeakPolarHBondContact O-CA 3.26Å; L54-K99 HydrophobicContact CD1-CB 3.79Å; L54-K99 HydrophobicContact CD1-CD 3.62Å; L54-K99 HydrophobicContact CD1-CG 3.71Å; L54-K99 HydrophobicContact CD2-CB 4.31Å; L54-K99 HydrophobicContact CG-CB 3.8Å; L54-K99 HydrophobicContact CG-CG 4.22Å; L54-K99 PolarHBondContact N-O 2.8Å; L54-K99 PolarHBondContact O-N 2.69Å; L54-E101 HydrophobicContact CD2-CB 4.36Å; L54-E101 HydrophobicContact CD2-CG 4Å
55L95.4Very high83.7Confident0 Ų053.4 Ų53.40%030%0.304CS..EExtended strand (participates in β ladder)trans-114.9116.7167.4-172.770.8000107.9L73 L74 A88 L89 A96 T97 L98 L154L55-L73 HydrophobicContact CB-CB 4.27Å; L55-L73 HydrophobicContact CD2-CB 3.94Å; L55-L73 HydrophobicContact CD2-CD1 3.89Å; L55-L73 HydrophobicContact CG-CB 4.15Å; L55-L73 HydrophobicContact CG-CD1 4.1Å; L55-L73 PolarHBondContact O-N 3.3Å; L55-L74 HydrophobicContact CB-CB 3.94Å; L55-L74 PolarHBondContact N-O 3.48Å; L55-L74 PolarHBondContact O-N 2.96Å; L55-A88 HydrophobicContact CD2-CB 3.65Å; L55-L89 HydrophobicContact CD1-CD2 4.01Å; L55-L89 HydrophobicContact CD2-CB 4.5Å; L55-L89 HydrophobicContact CD2-CD2 3.83Å; L55-L89 HydrophobicContact CD2-CG 3.76Å; L55-A96 HydrophobicContact CD1-CB 4.26Å; L55-T97 WeakPolarHBondContact CA-O 3.11Å; L55-L98 HydrophobicContact CD1-CB 4.28Å; L55-L154 HydrophobicContact CD1-CD1 4.01Å
56L92.8Very high82Confident30 Ų3058.1 Ų58.116%0.15733%0.325CS..EExtended strand (participates in β ladder)trans-107.7140179-59.8178.4000110.1L54 G71 W72 A96 T97 K99L54-L56 HydrophobicContact CD1-CD1 3.53Å; L54-L56 HydrophobicContact CD1-CD2 3.89Å; L54-L56 HydrophobicContact CD1-CG 3.49Å; L54-L56 VanDerWaalsContact CD1-CG 3.49Å; L56-G71 CarbonylContact C-O 3.4Å; L56-G71 WeakPolarHBondContact CA-O 3.33Å; L56-W72 HydrophobicContact CD2-CB 4.47Å; L56-W72 HydrophobicContact CD2-CD2 4.22Å; L56-W72 HydrophobicContact CD2-CG 3.77Å; L56-A96 CarbonylContact O-C 3.52Å; L56-A96 WeakPolarHBondContact O-CA 3.48Å; L56-T97 PolarHBondContact N-O 3.46Å; L56-T97 PolarHBondContact O-N 2.81Å; L56-K99 HydrophobicContact CD1-CD 3.94Å
57D88.8Confident80.1Confident21 Ų2164.6 Ų64.611%0.11235%0.348CS..EExtended strand (participates in β ladder)trans-96.8116164.4-165-20.6000109.3G59 G71 L73 A92 N93 G94D57-G59 VanDerWaalsContact C-N 3.32Å; D57-G59 PolarHBondContact OD1-N 3.48Å; D57-G71 PolarHBondContact N-O 2.89Å; D57-G71 PolarHBondContact O-N 3.47Å; D57-L73 HydrophobicContact CB-CD1 3.95Å; D57-L73 HydrophobicContact CB-CD2 4.17Å; D57-L73 HydrophobicContact CB-CG 4Å; D57-A92 WeakPolarHBondContact OD2-CA 3.42Å; D57-N93 PolarHBondContact OD2-N 3.2Å; D57-G94 VanDerWaalsContact OD1-CA 3.26Å; D57-G94 WeakPolarHBondContact OD1-CA 3.27Å; D57-G94 PolarHBondContact OD1-N 3.31Å; D57-G94 PolarHBondContact OD2-N 3.21Å
58G79.6Confident78.3Confident38 Ų3869.4 Ų69.439%0.39237%0.365SS..  trans-83.2-1.1176.700000114.5G62 D95G58-G62 WeakPolarHBondContact O-CA 3.38Å; G58-D95 PolarHBondContact N-O 2.96Å
59G74.1Confident76.6Confident29 Ų2975.2 Ų75.230%0.29939%0.393SS..  trans71.3-172.9-173.200000113D57 G94 D95D57-G59 VanDerWaalsContact C-N 3.32Å; D57-G59 PolarHBondContact OD1-N 3.48Å; G59-G94 WeakPolarHBondContact O-CA 3.16Å; G59-D95 PolarHBondContact O-N 2.87Å
60I62.7Low75.4Confident107 Ų10775.8 Ų75.855%0.54940%0.397SS..THydrogen-bonded Turntrans-82.6-19.5-168.7-59.9170.3000113K157I60-K157 HydrophobicContact CG2-CG 4.49Å
61N61.3Low74.8Confident147 Ų14777.3 Ų77.379%0.78641%0.412SS*.THydrogen-bonded Turntrans-111.922.4-176.6-65.1-10000112.6F63N61-F63 PolarHBondContact O-N 3.31Å
62G57.6Low74.4Confident28 Ų2880.9 Ų80.929%0.28943%0.426SS..THydrogen-bonded Turntrans-81.758.2-154.600000117.9G58G58-G62 WeakPolarHBondContact O-CA 3.38Å
63F57.5Low74.2Confident186 Ų18679.5 Ų79.582%0.81642%0.423SS*.THydrogen-bonded Turntrans-93.3-17.4164.6-70.1-77000113.6N61N61-F63 PolarHBondContact O-N 3.31Å
64E59.8Low74.1Confident156 Ų15681 Ų8173%0.72943%0.431SS*.SBendtrans-81.6132178.6-72-175.1171.600111.8Q66E64-Q66 PolarHBondContact O-N 3.1Å
65V61.4Low74.1Confident136 Ų13683.2 Ų83.282%0.82445%0.445SS*.  trans-70.591.6174.3-178.80000109.4
66Q62.5Low74.1Confident111 Ų11184.8 Ų84.852%0.51945%0.454SS..  trans-85.2113.8175.7-67.8-175.88.300111E64E64-Q66 PolarHBondContact O-N 3.1Å
67K57.5Low74.2Confident194 Ų19485.2 Ų85.284%0.84346%0.456SS*.SBendtrans-79.9-17.5174.2-67.5-175.5179.6177.80113.3
68Q56.6Low74.4Confident160 Ų16090.8 Ų90.875%0.74848%0.479SS*.SBendtrans-123.7150.1-179.9-63.1-167.5-6.700109.8C70Q68-C70 PolarHBondContact O-N 2.9Å
69N62.6Low75.1Confident156 Ų15692.5 Ų92.583%0.83448%0.483SS*.SBendtrans58.917.7-178.3-64.4-12.9000116.7G71N69-G71 PolarHBondContact O-N 3.15Å
70C70.9Confident76.1Confident27 Ų2791.4 Ų91.418%0.18247%0.47CS..  trans-68.5132.7168.759.60000110.5Q68 W72Q68-C70 PolarHBondContact O-N 2.9Å; C70-W72 PolarHBondContact O-N 2.8Å; C70-W72 VanDerWaalsContact SG-CD1 3.57Å; C70-W72 PolarHBondContact SG-NE1 3.19Å
71G83.4Confident77.6Confident33 Ų3392.6 Ų92.634%0.3447%0.474SS..EExtended strand (participates in β ladder)trans-74106.7-178.400000110.3L56 D57 N69 L73L56-G71 CarbonylContact C-O 3.4Å; L56-G71 WeakPolarHBondContact CA-O 3.33Å; D57-G71 PolarHBondContact N-O 2.89Å; D57-G71 PolarHBondContact O-N 3.47Å; N69-G71 PolarHBondContact O-N 3.15Å; G71-L73 PolarHBondContact O-N 3.5Å
72W89.3Confident79.1Confident75 Ų7588.6 Ų88.628%0.28445%0.449SS..EExtended strand (participates in β ladder)trans-84.1101.9176.3-71.930.5000107.9R22 L56 C70 V75R22-W72 VanDerWaalsContact NH1-CE2 3.29Å; L56-W72 HydrophobicContact CD2-CB 4.47Å; L56-W72 HydrophobicContact CD2-CD2 4.22Å; L56-W72 HydrophobicContact CD2-CG 3.77Å; C70-W72 PolarHBondContact O-N 2.8Å; C70-W72 VanDerWaalsContact SG-CD1 3.57Å; C70-W72 PolarHBondContact SG-NE1 3.19Å; W72-V75 HydrophobicContact CB-CG2 4.44Å; W72-V75 HydrophobicContact CD2-CG2 3.78Å; W72-V75 HydrophobicContact CE3-CB 3.99Å; W72-V75 HydrophobicContact CE3-CG1 4.38Å; W72-V75 HydrophobicContact CE3-CG2 3.07Å; W72-V75 HydrophobicContact CG-CG2 4.39Å; W72-V75 HydrophobicContact CH2-CG2 4.46Å; W72-V75 HydrophobicContact CZ3-CB 4.19Å; W72-V75 HydrophobicContact CZ3-CG1 4.05Å; W72-V75 HydrophobicContact CZ3-CG2 3.47Å; W72-V75 VanDerWaalsContact CZ3-CG2 3.47Å
73L92.3Very high80.9Confident35 Ų3592.7 Ų92.718%0.18347%0.465CS..EExtended strand (participates in β ladder)trans-77.5-34.8179.8-59.9-180000111.3L55 D57 G71 A88 K91 A92 A96L55-L73 HydrophobicContact CB-CB 4.27Å; L55-L73 HydrophobicContact CD2-CB 3.94Å; L55-L73 HydrophobicContact CD2-CD1 3.89Å; L55-L73 HydrophobicContact CG-CB 4.15Å; L55-L73 HydrophobicContact CG-CD1 4.1Å; L55-L73 PolarHBondContact O-N 3.3Å; D57-L73 HydrophobicContact CB-CD1 3.95Å; D57-L73 HydrophobicContact CB-CD2 4.17Å; D57-L73 HydrophobicContact CB-CG 4Å; G71-L73 PolarHBondContact O-N 3.5Å; L73-A88 HydrophobicContact CB-CB 4.12Å; L73-K91 HydrophobicContact CD2-CB 4.19Å; L73-A92 HydrophobicContact CD1-CB 3.66Å; L73-A96 HydrophobicContact CD1-CB 4.39Å
74L94.6Very high82.7Confident31 Ų3187.8 Ų87.816%0.16245%0.447CS..EExtended strand (participates in β ladder)trans-152.4139.7178.2178.868000109.7L54 L55 D84 V85 A88L54-L74 CarbonylContact C-O 3.47Å; L54-L74 VanDerWaalsContact CA-O 3.27Å; L54-L74 WeakPolarHBondContact CA-O 3.26Å; L55-L74 HydrophobicContact CB-CB 3.94Å; L55-L74 PolarHBondContact N-O 3.48Å; L55-L74 PolarHBondContact O-N 2.96Å; L74-D84 HydrophobicContact CD1-CB 4.26Å; L74-D84 HydrophobicContact CD2-CB 4.29Å; L74-V85 HydrophobicContact CD2-CG2 3.79Å; L74-A88 HydrophobicContact CB-CB 3.79Å
75V95.1Very high84.3Confident48 Ų4880.4 Ų80.429%0.29141%0.412SS..EExtended strand (participates in β ladder)trans-142.7133.5164.9172.50000110.5R52 I53 L54 W72R52-V75 HydrophobicContact CB-CG1 4.48Å; I53-V75 WeakPolarHBondContact O-CA 3.49Å; L54-V75 HydrophobicContact CB-CG2 3.74Å; W72-V75 HydrophobicContact CB-CG2 4.44Å; W72-V75 HydrophobicContact CD2-CG2 3.78Å; W72-V75 HydrophobicContact CE3-CB 3.99Å; W72-V75 HydrophobicContact CE3-CG1 4.38Å; W72-V75 HydrophobicContact CE3-CG2 3.07Å; W72-V75 HydrophobicContact CG-CG2 4.39Å; W72-V75 HydrophobicContact CH2-CG2 4.46Å; W72-V75 HydrophobicContact CZ3-CB 4.19Å; W72-V75 HydrophobicContact CZ3-CG1 4.05Å; W72-V75 HydrophobicContact CZ3-CG2 3.47Å; W72-V75 VanDerWaalsContact CZ3-CG2 3.47Å
76T95.6Very high85.9Confident33 Ų3375.3 Ų75.320%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-140.3143.4174.5-178.70000111R52 I53 K78 C80R52-T76 CarbonylContact C-O 3.34Å; R52-T76 VanDerWaalsContact CA-O 3.22Å; R52-T76 WeakPolarHBondContact CA-O 3.44Å; R52-T76 WeakPolarHBondContact CB-O 3.47Å; I53-T76 HydrophobicContact CB-CG2 3.91Å; I53-T76 PolarHBondContact N-O 3.01Å; I53-T76 PolarHBondContact O-N 3.22Å; T76-K78 WeakPolarHBondContact CG2-O 3.34Å; T76-K78 PolarHBondContact OG1-N 2.98Å; T76-K78 VanDerWaalsContact OG1-N 3.09Å; T76-K78 PolarHBondContact OG1-O 3.07Å; T76-C80 HydrophobicContact CG2-CB 3.89Å
77H94.8Very high87.4Confident39 Ų3973.8 Ų73.818%0.18138%0.379CS..SBendtrans-100.413.4171.8-59.981.3000111.2D27 G51D27-H77 IonicContact OD1-CD2 3.45Å; D27-H77 PolarHBondContact OD1-CD2 3.02Å; D27-H77 IonicContact OD1-CG 2.93Å; D27-H77 IonicContact OD1-ND1 3.98Å; D27-H77 IonicContact OD1-NE2 3.77Å; D27-H77 IonicContact OD2-CD2 3.21Å; D27-H77 PolarHBondContact OD2-CD2 3.18Å; D27-H77 IonicContact OD2-NE2 3.66Å; G51-H77 PolarHBondContact O-CD2 3.31Å; G51-H77 VanDerWaalsContact O-CD2 3.31Å
78K94Very high89.1Confident138 Ų13864.8 Ų64.860%0.634%0.34SS*.SBendtrans-124.9169.7179.7-67.1-175.4-179.2-179.70109.4T76 C80T76-K78 WeakPolarHBondContact CG2-O 3.34Å; T76-K78 PolarHBondContact OG1-N 2.98Å; T76-K78 VanDerWaalsContact OG1-N 3.09Å; T76-K78 PolarHBondContact OG1-O 3.07Å; K78-C80 PolarHBondContact O-N 2.88Å
79P94.4Very high90.8Very high73 Ų7358.1 Ų58.147%0.47431%0.309SS..PPolyproline II helixtrans-49.3137167.2-27.636.7000110.8N175P79-N175 VanDerWaalsContact CA-OD1 3.31Å; P79-N175 WeakPolarHBondContact CA-OD1 3.47Å
80C94.1Very high92.2Very high6 Ų658.6 Ų58.64%0.04130%0.304CS..PPolyproline II helixtrans-97.4135.7-174.9-165.80000110I53 T76 K78 V85 L171 N175I53-C80 HydrophobicContact CB-CB 4.34Å; I53-C80 HydrophobicContact CD1-CB 3.73Å; I53-C80 HydrophobicContact CG2-CB 4.07Å; T76-C80 HydrophobicContact CG2-CB 3.89Å; K78-C80 PolarHBondContact O-N 2.88Å; C80-V85 VanDerWaalsContact SG-CG2 3.53Å; C80-L171 HydrophobicContact CB-CD2 3.91Å; C80-N175 PolarHBondContact N-OD1 2.98Å; C80-N175 PolarHBondContact O-ND2 2.91Å
81E94.2Very high93.1Very high133 Ų13363.5 Ų63.562%0.62132%0.322SS*.PPolyproline II helixtrans-92.2152.5176.8-62.7-170.8179.100111.3D83 V85E81-D83 PolarHBondContact O-N 2.92Å; E81-V85 PolarHBondContact O-N 3.26Å
82K93.9Very high93.3Very high62 Ų6262.5 Ų62.527%0.2731%0.311SS..Hα-helixtrans-58.3-48.1-179.1-175.3-167.7-170.8160.70111.9D84 V85 I86 E164 D168 L171K82-D84 VanDerWaalsContact C-N 3.28Å; K82-D84 PolarHBondContact O-N 2.93Å; K82-V85 PolarHBondContact O-N 3.05Å; K82-I86 HydrophobicContact CG-CG1 4.14Å; K82-I86 WeakPolarHBondContact O-CG1 3.43Å; K82-I86 PolarHBondContact O-N 2.73Å; K82-E164 IonicContact NZ-OE2 3.2Å; K82-D168 WeakPolarHBondContact CD-OD1 3.22Å; K82-D168 WeakPolarHBondContact CE-OD1 3.46Å; K82-D168 WeakPolarHBondContact CE-OD2 3.09Å; K82-D168 WeakPolarHBondContact CG-OD1 3.46Å; K82-D168 VanDerWaalsContact NZ-CG 3.33Å; K82-D168 IonicContact NZ-OD1 3.9Å; K82-D168 PolarHBondContact NZ-OD1 2.87Å; K82-D168 IonicContact NZ-OD2 3.77Å; K82-D168 PolarHBondContact NZ-OD2 3.3Å; K82-L171 VanDerWaalsContact CA-CD1 3.47Å; K82-L171 HydrophobicContact CB-CD1 4.07Å; K82-L171 HydrophobicContact CG-CD1 4.4Å
83D94.1Very high93.1Very high115 Ų11564.7 Ų64.762%0.61533%0.328SS*.Hα-helixtrans-62.1-38.5-172.2-69.1-17.4000111.7E81 V85 I86 V87E81-D83 PolarHBondContact O-N 2.92Å; D83-V85 VanDerWaalsContact C-N 3.34Å; D83-V85 PolarHBondContact O-N 2.74Å; D83-I86 PolarHBondContact O-N 3.07Å; D83-V87 WeakPolarHBondContact O-CB 2.9Å; D83-V87 VanDerWaalsContact O-CG2 3.26Å; D83-V87 WeakPolarHBondContact O-CG2 3.35Å; D83-V87 PolarHBondContact O-N 2.95Å
84D94.7Very high92.8Very high83 Ų8363 Ų6344%0.44432%0.32SS..Hα-helixtrans-59.9-43.6174.8-71.1-29.4000112L74 K82 A88L74-D84 HydrophobicContact CD1-CB 4.26Å; L74-D84 HydrophobicContact CD2-CB 4.29Å; K82-D84 VanDerWaalsContact C-N 3.28Å; K82-D84 PolarHBondContact O-N 2.93Å; D84-A88 VanDerWaalsContact O-CB 3.26Å; D84-A88 WeakPolarHBondContact O-CB 3.32Å; D84-A88 PolarHBondContact O-N 3.07Å
85V94.6Very high92.6Very high0 Ų062.6 Ų62.60%032%0.317CS..Hα-helixtrans-66.9-43.2178.2177.30000111.2L74 C80 E81 K82 D83 A88 L89 I167 L171L74-V85 HydrophobicContact CD2-CG2 3.79Å; C80-V85 VanDerWaalsContact SG-CG2 3.53Å; E81-V85 PolarHBondContact O-N 3.26Å; K82-V85 PolarHBondContact O-N 3.05Å; D83-V85 VanDerWaalsContact C-N 3.34Å; D83-V85 PolarHBondContact O-N 2.74Å; V85-A88 PolarHBondContact O-N 2.97Å; V85-L89 HydrophobicContact CG1-CD1 3.83Å; V85-L89 HydrophobicContact CG1-CG 4.24Å; V85-L89 WeakPolarHBondContact O-CB 3.28Å; V85-L89 WeakPolarHBondContact O-CG 3.19Å; V85-L89 PolarHBondContact O-N 3.04Å; V85-I167 HydrophobicContact CG1-CG2 4.06Å; V85-L171 HydrophobicContact CB-CD1 4.3Å; V85-L171 HydrophobicContact CG2-CD1 3.99Å; V85-L171 HydrophobicContact CG2-CD2 3.71Å; V85-L171 HydrophobicContact CG2-CG 4.31Å
86I93.8Very high92.5Very high29 Ų2960.3 Ų60.315%0.14930%0.304CS..Hα-helixtrans-64.8-42.3178.8-63.1-62000110.8K82 D83 A88 L89 K90 E164 I167K82-I86 HydrophobicContact CG-CG1 4.14Å; K82-I86 WeakPolarHBondContact O-CG1 3.43Å; K82-I86 PolarHBondContact O-N 2.73Å; D83-I86 PolarHBondContact O-N 3.07Å; I86-A88 VanDerWaalsContact C-N 3.32Å; I86-A88 PolarHBondContact O-N 3.07Å; I86-L89 PolarHBondContact O-N 3.39Å; I86-K90 WeakPolarHBondContact O-CG 3.44Å; I86-K90 PolarHBondContact O-N 3.36Å; I86-K90 VanDerWaalsContact O-N 3.16Å; I86-E164 HydrophobicContact CD1-CG 4.42Å; I86-I167 HydrophobicContact CD1-CD1 3.88Å; I86-I167 HydrophobicContact CD1-CG2 4.49Å
87V94.4Very high92.5Very high80 Ų8060.1 Ų60.149%0.48530%0.302SS..Hα-helixtrans-63-39.7175.1169.80000111.3D83D83-V87 WeakPolarHBondContact O-CB 2.9Å; D83-V87 VanDerWaalsContact O-CG2 3.26Å; D83-V87 WeakPolarHBondContact O-CG2 3.35Å; D83-V87 PolarHBondContact O-N 2.95Å
88A93.8Very high92.6Very high4 Ų458.3 Ų58.33%0.03329%0.294CS..Hα-helixtrans-69.2-42.3177.500000112.3L55 L73 L74 D84 V85 I86 K90 K91L55-A88 HydrophobicContact CD2-CB 3.65Å; L73-A88 HydrophobicContact CB-CB 4.12Å; L74-A88 HydrophobicContact CB-CB 3.79Å; D84-A88 VanDerWaalsContact O-CB 3.26Å; D84-A88 WeakPolarHBondContact O-CB 3.32Å; D84-A88 PolarHBondContact O-N 3.07Å; V85-A88 PolarHBondContact O-N 2.97Å; I86-A88 VanDerWaalsContact C-N 3.32Å; I86-A88 PolarHBondContact O-N 3.07Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 3.27Å; A88-K91 WeakPolarHBondContact O-CB 3.22Å; A88-K91 PolarHBondContact O-N 2.91Å
89L92.2Very high92.7Very high20 Ų2053.4 Ų53.411%0.10527%0.272CS..Hα-helixtrans-62.3-33.7177.8-80.6169.4000112.9L55 V85 I86 K91 A92 A96 L154 L160 I167L55-L89 HydrophobicContact CD1-CD2 4.01Å; L55-L89 HydrophobicContact CD2-CB 4.5Å; L55-L89 HydrophobicContact CD2-CD2 3.83Å; L55-L89 HydrophobicContact CD2-CG 3.76Å; V85-L89 HydrophobicContact CG1-CD1 3.83Å; V85-L89 HydrophobicContact CG1-CG 4.24Å; V85-L89 WeakPolarHBondContact O-CB 3.28Å; V85-L89 WeakPolarHBondContact O-CG 3.19Å; V85-L89 PolarHBondContact O-N 3.04Å; I86-L89 PolarHBondContact O-N 3.39Å; L89-K91 PolarHBondContact O-N 2.87Å; L89-K91 VanDerWaalsContact O-N 3.14Å; L89-A92 WeakPolarHBondContact O-CB 3.32Å; L89-A92 PolarHBondContact O-N 3.27Å; L89-A96 HydrophobicContact CD2-CB 4.01Å; L89-L154 HydrophobicContact CD1-CD1 4.09Å; L89-L154 HydrophobicContact CD2-CB 4.13Å; L89-L154 HydrophobicContact CD2-CD1 4.06Å; L89-L160 HydrophobicContact CD1-CD1 4.14Å; L89-L160 HydrophobicContact CD2-CD1 4.31Å; L89-I167 HydrophobicContact CD1-CD1 3.7Å
90K91.4Very high92.8Very high166 Ų16650 Ų5072%0.72225%0.251SS*.THydrogen-bonded Turntrans-61.8-18.9174.6-74.4172.3-178175.60113.6I86 A88I86-K90 WeakPolarHBondContact O-CG 3.44Å; I86-K90 PolarHBondContact O-N 3.36Å; I86-K90 VanDerWaalsContact O-N 3.16Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 3.27Å
91K90.1Very high93Very high130 Ų13052.7 Ų52.757%0.56526%0.262SS*.THydrogen-bonded Turntrans-92.8-6.6176.8-57.2173.7-174.1172.50112.7L73 A88 L89L73-K91 HydrophobicContact CD2-CB 4.19Å; A88-K91 WeakPolarHBondContact O-CB 3.22Å; A88-K91 PolarHBondContact O-N 2.91Å; L89-K91 PolarHBondContact O-N 2.87Å; L89-K91 VanDerWaalsContact O-N 3.14Å
92A87.4Confident93.1Very high12 Ų1247.6 Ų47.610%0.09924%0.241CC..  trans-72.1128.3-179.400000110.6D57 L73 L89 A96D57-A92 WeakPolarHBondContact OD2-CA 3.42Å; L73-A92 HydrophobicContact CD1-CB 3.66Å; L89-A92 WeakPolarHBondContact O-CB 3.32Å; L89-A92 PolarHBondContact O-N 3.27Å; A92-A96 HydrophobicContact CB-CB 3.84Å
93N85.2Confident93.3Very high122 Ų12244.7 Ų44.765%0.65223%0.228SC*.  trans-111.5-12.8177.5-67.5-20.7000112.3D57D57-N93 PolarHBondContact OD2-N 3.2Å
94G87.3Confident93.5Very high0 Ų042 Ų420%021%0.213CC..SBendtrans-127.1-140.8-178.600000113.4D57 G59 A96 S155 G158D57-G94 VanDerWaalsContact OD1-CA 3.26Å; D57-G94 WeakPolarHBondContact OD1-CA 3.27Å; D57-G94 PolarHBondContact OD1-N 3.31Å; D57-G94 PolarHBondContact OD2-N 3.21Å; G59-G94 WeakPolarHBondContact O-CA 3.16Å; G94-A96 PolarHBondContact O-N 3.45Å; G94-S155 PolarHBondContact O-OG 2.86Å; G94-G158 PolarHBondContact O-N 3.14Å
95D89.9Confident93.7Very high22 Ų2238 Ų3812%0.11819%0.192CC..  trans-86.494179-69.5-0.4000109.8G58 G59 S155 H156 K157G58-D95 PolarHBondContact N-O 2.96Å; G59-D95 PolarHBondContact O-N 2.87Å; D95-S155 WeakPolarHBondContact CA-O 3.37Å; D95-H156 WeakPolarHBondContact OD1-CA 3.48Å; D95-H156 IonicContact OD1-CE1 3.43Å; D95-H156 IonicContact OD1-CG 3.82Å; D95-H156 IonicContact OD1-ND1 2.69Å; D95-H156 PolarHBondContact OD1-ND1 3.29Å; D95-H156 IonicContact OD2-CE1 3.25Å; D95-H156 IonicContact OD2-ND1 3.45Å; D95-H156 PolarHBondContact OD2-ND1 3.35Å; D95-K157 PolarHBondContact OD1-N 3.46Å
96A92.6Very high93.8Very high0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-80.7130.2178.400000112L55 L56 L73 L89 A92 G94 L154 S155L55-A96 HydrophobicContact CD1-CB 4.26Å; L56-A96 CarbonylContact O-C 3.52Å; L56-A96 WeakPolarHBondContact O-CA 3.48Å; L73-A96 HydrophobicContact CD1-CB 4.39Å; L89-A96 HydrophobicContact CD2-CB 4.01Å; A92-A96 HydrophobicContact CB-CB 3.84Å; G94-A96 PolarHBondContact O-N 3.45Å; A96-L154 PolarHBondContact O-N 3.18Å; A96-S155 WeakPolarHBondContact CA-OG 3.15Å; A96-S155 WeakPolarHBondContact CB-OG 3.05Å; A96-S155 PolarHBondContact N-OG 2.91Å; A96-S155 PolarHBondContact O-N 2.85Å
97T94.8Very high94.1Very high29 Ų2938.9 Ų38.918%0.17820%0.195CC..EExtended strand (participates in β ladder)trans-124.5125.8-179.8-59.10000110.8L55 L56 K99 E151L55-T97 WeakPolarHBondContact CA-O 3.11Å; L56-T97 PolarHBondContact N-O 3.46Å; L56-T97 PolarHBondContact O-N 2.81Å; T97-K99 HydrophobicContact CG2-CD 4.5Å; T97-K99 HydrophobicContact CG2-CG 3.99Å; T97-E151 HydrophobicContact CG2-CG 3.83Å
98L96.8Very high94.2Very high0 Ų035.8 Ų35.80%018%0.175CC..EExtended strand (participates in β ladder)trans-84.8127.9171179.870.7000109.1I53 L54 L55 E151 V152 L154 L170I53-L98 HydrophobicContact CG2-CD1 3.88Å; L54-L98 CarbonylContact O-C 3.57Å; L54-L98 WeakPolarHBondContact O-CA 3.26Å; L55-L98 HydrophobicContact CD1-CB 4.28Å; L98-E151 WeakPolarHBondContact O-CA 3.3Å; L98-V152 PolarHBondContact N-O 2.88Å; L98-V152 PolarHBondContact O-N 2.91Å; L98-L154 HydrophobicContact CB-CD1 3.74Å; L98-L154 HydrophobicContact CB-CD2 4.4Å; L98-L154 HydrophobicContact CB-CG 4.03Å; L98-L170 HydrophobicContact CD2-CB 4.02Å; L98-L170 HydrophobicContact CD2-CD1 4.28Å
99K96.6Very high94.4Very high35 Ų3535.7 Ų35.715%0.15218%0.175CC..EExtended strand (participates in β ladder)trans-128.3145.7176.1-31.3-174.489.9169.80111.7I53 L54 L56 T97 L150 E151I53-K99 CarbonylContact C-O 3.56Å; I53-K99 WeakPolarHBondContact CA-O 3.29Å; L54-K99 HydrophobicContact CD1-CB 3.79Å; L54-K99 HydrophobicContact CD1-CD 3.62Å; L54-K99 HydrophobicContact CD1-CG 3.71Å; L54-K99 HydrophobicContact CD2-CB 4.31Å; L54-K99 HydrophobicContact CG-CB 3.8Å; L54-K99 HydrophobicContact CG-CG 4.22Å; L54-K99 PolarHBondContact N-O 2.8Å; L54-K99 PolarHBondContact O-N 2.69Å; L56-K99 HydrophobicContact CD1-CD 3.94Å; T97-K99 HydrophobicContact CG2-CD 4.5Å; T97-K99 HydrophobicContact CG2-CG 3.99Å; K99-L150 CarbonylContact C-O 3.59Å; K99-L150 WeakPolarHBondContact CA-O 3.19Å; K99-E151 VanDerWaalsContact CE-CG 3.44Å; K99-E151 WeakPolarHBondContact CE-OE1 3.49Å; K99-E151 WeakPolarHBondContact CE-OE2 3.26Å; K99-E151 IonicContact NZ-OE1 3.1Å; K99-E151 PolarHBondContact NZ-OE1 2.84Å; K99-E151 IonicContact NZ-OE2 3.63Å; K99-E151 PolarHBondContact NZ-OE2 2.99Å
100F97.8Very high94.6Very high3 Ų337.3 Ų37.31%0.01318%0.182CC..EExtended strand (participates in β ladder)trans-112.8121158.1168.9-99000107.8R52 I53 P102 H148 G149 L150 K177 M178 N181R52-F100 WeakPolarHBondContact O-CA 3.39Å; I53-F100 HydrophobicContact CG1-CD2 3.93Å; F100-P102 HydrophobicContact CE1-CB 4.09Å; F100-P102 HydrophobicContact CZ-CB 4.35Å; F100-H148 AromaticContact CE1-CD2 3.51Å; F100-H148 WeakPolarHBondContact CE1-O 3.32Å; F100-G149 WeakPolarHBondContact O-CA 3.37Å; F100-L150 HydrophobicContact CB-CB 3.83Å; F100-L150 PolarHBondContact N-O 2.8Å; F100-L150 PolarHBondContact O-N 2.68Å; F100-L150 VanDerWaalsContact O-N 3.11Å; F100-K177 HydrophobicContact CD1-CB 3.72Å; F100-K177 HydrophobicContact CD1-CD 4.09Å; F100-K177 HydrophobicContact CD1-CG 4.48Å; F100-K177 HydrophobicContact CE1-CB 3.71Å; F100-K177 HydrophobicContact CG-CB 4.14Å; F100-K177 HydrophobicContact CZ-CB 4.13Å; F100-M178 HydrophobicContact CD2-CE 4.22Å; F100-M178 HydrophobicContact CE2-CB 3.95Å; F100-M178 HydrophobicContact CE2-CE 3.86Å; F100-M178 HydrophobicContact CE2-SD 3.92Å; F100-N181 HydrophobicContact CZ-CB 3.81Å
101E96.7Very high94.9Very high62 Ų6234.1 Ų34.129%0.2917%0.169SC..EExtended strand (participates in β ladder)trans-109.4127.6173.7-69177.6157.900108.8G51 R52 L54G51-E101 CarbonylContact C-O 3.59Å; G51-E101 WeakPolarHBondContact CA-O 3.16Å; R52-E101 HydrophobicContact CG-CB 4.19Å; R52-E101 IonicContact CZ-OE2 2.75Å; R52-E101 PolarHBondContact N-O 2.74Å; R52-E101 IonicContact NE-OE2 3.82Å; R52-E101 PolarHBondContact NE-OE2 3.5Å; R52-E101 IonicContact NH2-OE2 3.27Å; R52-E101 PolarHBondContact NH2-OE2 2.92Å; R52-E101 PolarHBondContact O-N 3.05Å; L54-E101 HydrophobicContact CD2-CB 4.36Å; L54-E101 HydrophobicContact CD2-CG 4Å
102P97.2Very high95.1Very high25 Ų2531.3 Ų31.316%0.16216%0.16CC..  trans-79.1179.6-175.633.9-36.2000112.2F100 I104 H148F100-P102 HydrophobicContact CE1-CB 4.09Å; F100-P102 HydrophobicContact CZ-CB 4.35Å; P102-I104 PolarHBondContact O-N 3.26Å; P102-H148 HydrophobicContact CB-CB 4.38Å; P102-H148 VanDerWaalsContact CB-O 3.24Å; P102-H148 WeakPolarHBondContact CB-O 3.47Å; P102-H148 WeakPolarHBondContact CD-O 3.42Å; P102-H148 WeakPolarHBondContact CG-O 3.43Å
103F97.9Very high95.6Very high1 Ų135.8 Ų35.80%0.00418%0.179CC..  trans-48.7134.4170175.1-115.5000112.8V30 L33 C49 L105 F127 V144 N181 I185 F188V30-F103 HydrophobicContact CB-CE2 4.32Å; V30-F103 HydrophobicContact CG1-CD2 3.79Å; V30-F103 HydrophobicContact CG1-CE2 3.58Å; L33-F103 HydrophobicContact CD2-CE2 4.3Å; L33-F103 HydrophobicContact CD2-CZ 3.72Å; C49-F103 WeakPolarHBondContact O-CA 3.34Å; C49-F103 WeakPolarHBondContact O-CD2 3.24Å; F103-L105 HydrophobicContact CE1-CB 3.97Å; F103-L105 HydrophobicContact CE2-CB 3.92Å; F103-L105 HydrophobicContact CZ-CB 3.39Å; F103-L105 HydrophobicContact CZ-CD2 3.94Å; F103-L105 HydrophobicContact CZ-CG 4.22Å; F103-F127 HydrophobicContact CB-CE1 4.15Å; F103-F127 HydrophobicContact CB-CZ 4.46Å; F103-F127 HydrophobicContact CD1-CD1 4.27Å; F103-F127 AromaticContact CD1-CE1 3.51Å; F103-F127 HydrophobicContact CD1-CE1 3.51Å; F103-F127 HydrophobicContact CD1-CE2 4.3Å; F103-F127 AromaticContact CD1-CZ 3.5Å; F103-F127 HydrophobicContact CD1-CZ 3.5Å; F103-F127 HydrophobicContact CE1-CE1 4.42Å; F103-F127 HydrophobicContact CE1-CZ 4.17Å; F103-F127 HydrophobicContact CG-CE1 4.31Å; F103-F127 HydrophobicContact CG-CZ 4.38Å; F103-V144 HydrophobicContact CD1-CG1 4.3Å; F103-V144 HydrophobicContact CE1-CB 4.36Å; F103-V144 HydrophobicContact CE1-CG1 3.85Å; F103-N181 VanDerWaalsContact CB-OD1 3.32Å; F103-N181 WeakPolarHBondContact CB-OD1 3.21Å; F103-N181 PolarHBondContact N-OD1 3.48Å; F103-I185 HydrophobicContact CB-CD1 3.89Å; F103-I185 HydrophobicContact CB-CG1 3.78Å; F103-I185 HydrophobicContact CD1-CG1 4.05Å; F103-I185 HydrophobicContact CD2-CD1 3.95Å; F103-I185 HydrophobicContact CD2-CG1 3.83Å; F103-I185 HydrophobicContact CE2-CG1 4.42Å; F103-I185 HydrophobicContact CG-CD1 4.02Å; F103-I185 HydrophobicContact CG-CG1 3.61Å; F103-F188 HydrophobicContact CE1-CD1 4.48Å
104I97.9Very high96.1Very high58 Ų5830.4 Ų30.430%0.29715%0.15SC..EExtended strand (participates in β ladder)trans-136.9140168.9-174.3164.7000109.8S48 C49 P102 V144 R145S48-I104 CarbonylContact C-O 3.51Å; S48-I104 VanDerWaalsContact CA-O 3.26Å; S48-I104 WeakPolarHBondContact CA-O 3.29Å; C49-I104 HydrophobicContact CB-CG2 3.88Å; C49-I104 PolarHBondContact N-O 3.03Å; C49-I104 PolarHBondContact O-N 3.07Å; P102-I104 PolarHBondContact O-N 3.26Å; I104-V144 WeakPolarHBondContact CA-O 3.44Å; I104-R145 HydrophobicContact CD1-CG 4.07Å; I104-R145 HydrophobicContact CG1-CG 4.13Å
105L98.4Very high96.6Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-143133.2177.3171.771.6000110L33 V34 L37 T45 F103 V107 A143 V144 F188L33-L105 HydrophobicContact CD2-CD2 4.24Å; V34-L105 HydrophobicContact CG2-CD1 4.41Å; L37-L105 HydrophobicContact CD1-CD2 3.71Å; T45-L105 HydrophobicContact CG2-CD1 3.89Å; F103-L105 HydrophobicContact CE1-CB 3.97Å; F103-L105 HydrophobicContact CE2-CB 3.92Å; F103-L105 HydrophobicContact CZ-CB 3.39Å; F103-L105 HydrophobicContact CZ-CD2 3.94Å; F103-L105 HydrophobicContact CZ-CG 4.22Å; L105-V107 HydrophobicContact CD1-CG2 4.18Å; L105-V107 HydrophobicContact CD2-CG2 3.71Å; L105-V107 HydrophobicContact CG-CG2 3.66Å; L105-A143 CarbonylContact O-C 3.5Å; L105-A143 WeakPolarHBondContact O-CA 3.46Å; L105-V144 HydrophobicContact CB-CB 4.2Å; L105-V144 HydrophobicContact CD2-CG2 4.46Å; L105-V144 PolarHBondContact N-O 3.28Å; L105-V144 PolarHBondContact O-N 2.88Å; L105-F188 HydrophobicContact CD2-CE1 4.06Å
106H98.4Very high97Very high46 Ų4633.9 Ų33.921%0.21317%0.165CC..EExtended strand (participates in β ladder)trans-114.2121.6173.5-63.9107.2000110.3T45 T46 S47 M141 L142T45-H106 WeakPolarHBondContact CA-O 3.14Å; T46-H106 PolarHBondContact N-O 2.97Å; T46-H106 WeakPolarHBondContact OG1-CB 3.47Å; T46-H106 PolarHBondContact OG1-O 3.34Å; S47-H106 PolarHBondContact O-N 3.32Å; S47-H106 PolarHBondContact OG-ND1 2.95Å; H106-M141 HydrophobicContact CB-SD 4.11Å; H106-L142 WeakPolarHBondContact CA-O 3.49Å
107V98.5Very high97.2Very high1 Ų135.1 Ų35.11%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-123.9125-177-167.80000109.2L37 F43 F44 T45 L105 L118 M141 L142L37-V107 HydrophobicContact CD1-CG2 3.92Å; F43-V107 HydrophobicContact CB-CG1 3.95Å; F43-V107 HydrophobicContact CD1-CG1 4.13Å; F43-V107 HydrophobicContact CG-CG1 4.36Å; F44-V107 CarbonylContact O-C 3.58Å; F44-V107 WeakPolarHBondContact O-CA 3.35Å; T45-V107 HydrophobicContact CG2-CG2 4.49Å; L105-V107 HydrophobicContact CD1-CG2 4.18Å; L105-V107 HydrophobicContact CD2-CG2 3.71Å; L105-V107 HydrophobicContact CG-CG2 3.66Å; V107-L118 HydrophobicContact CB-CD1 4.13Å; V107-L118 HydrophobicContact CG1-CD1 3.85Å; V107-L118 HydrophobicContact CG2-CD1 4.43Å; V107-M141 WeakPolarHBondContact O-CE 3.04Å; V107-L142 PolarHBondContact N-O 3.14Å; V107-L142 PolarHBondContact O-N 3Å
108Q98.1Very high97.4Very high16 Ų1633.8 Ų33.88%0.07516%0.163CC..EExtended strand (participates in β ladder)trans-85129.8168-154.9172.7-53.300109.6F7 F43 F44 T46 I140 M141F7-Q108 HydrophobicContact CE2-CB 4.45Å; F7-Q108 HydrophobicContact CE2-CG 4.22Å; F43-Q108 WeakPolarHBondContact CA-O 3.2Å; F44-Q108 HydrophobicContact CD1-CB 3.99Å; F44-Q108 HydrophobicContact CD2-CB 4.18Å; F44-Q108 HydrophobicContact CE1-CB 3.57Å; F44-Q108 HydrophobicContact CE1-CG 3.98Å; F44-Q108 HydrophobicContact CE2-CB 3.75Å; F44-Q108 HydrophobicContact CG-CB 4.3Å; F44-Q108 HydrophobicContact CZ-CB 3.44Å; F44-Q108 VanDerWaalsContact CZ-CB 3.44Å; F44-Q108 HydrophobicContact CZ-CG 3.85Å; F44-Q108 VanDerWaalsContact CZ-OE1 3.22Å; F44-Q108 PolarHBondContact N-O 3.44Å; F44-Q108 PolarHBondContact O-N 3.05Å; T46-Q108 HydrophobicContact CG2-CB 4.48Å; Q108-I140 WeakPolarHBondContact CA-O 3.41Å; Q108-I140 VanDerWaalsContact CG-O 3.3Å; Q108-I140 WeakPolarHBondContact CG-O 3.22Å; Q108-M141 HydrophobicContact CB-CE 3.32Å; Q108-M141 HydrophobicContact CG-CE 3.6Å; Q108-M141 VanDerWaalsContact N-CE 3.31Å
109C98.1Very high97.4Very high2 Ų236.3 Ų36.31%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-107.8146-179.3-53.60000110.2F7 Q42 F43 D114 A115 I140F7-C109 WeakPolarHBondContact CE2-O 3.24Å; Q42-C109 CarbonylContact O-C 3.57Å; Q42-C109 WeakPolarHBondContact O-CA 3.32Å; F43-C109 HydrophobicContact CD1-CB 4.26Å; F43-C109 HydrophobicContact CE1-CB 4.31Å; C109-D114 HydrophobicContact CB-CB 4.02Å; C109-A115 HydrophobicContact CB-CB 3.88Å; C109-I140 HydrophobicContact CB-CB 4.5Å; C109-I140 HydrophobicContact CB-CG2 4.28Å; C109-I140 PolarHBondContact N-O 3.13Å
110Q96.5Very high97.5Very high54 Ų5437.5 Ų37.525%0.25219%0.188SC..SBendtrans-69.9-42.7178.5-174.3-178.825.200111S4 F7 Q42S4-Q110 PolarHBondContact OG-NE2 3.25Å; S4-Q110 VanDerWaalsContact OG-NE2 3.09Å; F7-Q110 HydrophobicContact CB-CG 4.28Å; F7-Q110 HydrophobicContact CD1-CB 3.97Å; F7-Q110 HydrophobicContact CD1-CG 4.05Å; F7-Q110 HydrophobicContact CD2-CB 4.08Å; F7-Q110 HydrophobicContact CD2-CG 4.38Å; F7-Q110 HydrophobicContact CE1-CB 3.96Å; F7-Q110 HydrophobicContact CE2-CB 4.05Å; F7-Q110 VanDerWaalsContact CE2-N 3.33Å; F7-Q110 HydrophobicContact CG-CB 4.03Å; F7-Q110 HydrophobicContact CG-CG 3.97Å; F7-Q110 HydrophobicContact CZ-CB 3.97Å; Q42-Q110 PolarHBondContact O-N 3.49Å
111Q95.8Very high97.5Very high99 Ų9937.9 Ų37.946%0.46319%0.19SC..SBendtrans-127.5167.1-179.6-51.5-172.7-7.700112.1Q113 D114 A115 I140Q111-Q113 VanDerWaalsContact C-N 3.31Å; Q111-D114 WeakPolarHBondContact CA-OD2 3.35Å; Q111-D114 VanDerWaalsContact CB-OD2 3.3Å; Q111-D114 WeakPolarHBondContact CB-OD2 3.36Å; Q111-D114 PolarHBondContact N-OD2 3.05Å; Q111-D114 WeakPolarHBondContact O-CB 3.35Å; Q111-A115 PolarHBondContact O-N 3.34Å; Q111-I140 VanDerWaalsContact C-CD1 3.43Å
112L96.3Very high97.6Very high70 Ų7034.9 Ų34.937%0.36618%0.177SC..Hα-helixtrans-69.8-35.5178.7-178.560000110.9A115 Q116 I132 I140L112-A115 WeakPolarHBondContact O-CB 3.49Å; L112-A115 PolarHBondContact O-N 3.5Å; L112-Q116 HydrophobicContact CG-CG 4.42Å; L112-Q116 VanDerWaalsContact O-CG 3.29Å; L112-Q116 WeakPolarHBondContact O-CG 3.43Å; L112-Q116 PolarHBondContact O-N 3.2Å; L112-I132 HydrophobicContact CD1-CG2 4.18Å; L112-I140 HydrophobicContact CB-CD1 3.95Å; L112-I140 HydrophobicContact CD1-CG2 4.48Å; L112-I140 VanDerWaalsContact N-CD1 3.26Å
113Q95.9Very high97.6Very high107 Ų10736.3 Ų36.350%0.518%0.182SC..Hα-helixtrans-59-49.3176.2-66.777.93.200110.4Q111 A115 Q116 I117Q111-Q113 VanDerWaalsContact C-N 3.31Å; Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 3.17Å; Q113-Q116 WeakPolarHBondContact O-CA 3.4Å; Q113-Q116 WeakPolarHBondContact O-CB 3.04Å; Q113-Q116 PolarHBondContact O-N 3.35Å; Q113-I117 VanDerWaalsContact O-CD1 3.24Å; Q113-I117 WeakPolarHBondContact O-CD1 3.44Å; Q113-I117 WeakPolarHBondContact O-CG1 3.02Å; Q113-I117 PolarHBondContact O-N 3.2Å
114D96.6Very high97.6Very high8 Ų842.1 Ų42.14%0.04321%0.213CC..Hα-helixtrans-51.5-46.1173.6-55-30.4000111.6Q42 F43 C109 Q111 I117 L118Q42-D114 HydrophobicContact CB-CB 4.42Å; F43-D114 HydrophobicContact CD1-CB 4.49Å; F43-D114 HydrophobicContact CE1-CB 3.56Å; F43-D114 HydrophobicContact CZ-CB 3.89Å; C109-D114 HydrophobicContact CB-CB 4.02Å; Q111-D114 WeakPolarHBondContact CA-OD2 3.35Å; Q111-D114 VanDerWaalsContact CB-OD2 3.3Å; Q111-D114 WeakPolarHBondContact CB-OD2 3.36Å; Q111-D114 PolarHBondContact N-OD2 3.05Å; Q111-D114 WeakPolarHBondContact O-CB 3.35Å; D114-I117 PolarHBondContact O-N 3.18Å; D114-L118 PolarHBondContact O-N 2.7Å
115A97.9Very high97.5Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-68-35.2177.100000113.4C109 Q111 L112 Q113 H119 I132 I140C109-A115 HydrophobicContact CB-CB 3.88Å; Q111-A115 PolarHBondContact O-N 3.34Å; L112-A115 WeakPolarHBondContact O-CB 3.49Å; L112-A115 PolarHBondContact O-N 3.5Å; Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 3.17Å; A115-H119 WeakPolarHBondContact O-CB 3.29Å; A115-H119 PolarHBondContact O-N 3.03Å; A115-I132 HydrophobicContact CB-CD1 3.85Å; A115-I132 HydrophobicContact CB-CG1 4.17Å; A115-I132 HydrophobicContact CB-CG2 4.15Å; A115-I140 HydrophobicContact CB-CG2 3.57Å
116Q98Very high97.4Very high95 Ų9540.3 Ų40.344%0.44421%0.209SC..Hα-helixtrans-66.3-37.1177.8-74.1169-3200111.9L112 Q113 S120 I132L112-Q116 HydrophobicContact CG-CG 4.42Å; L112-Q116 VanDerWaalsContact O-CG 3.29Å; L112-Q116 WeakPolarHBondContact O-CG 3.43Å; L112-Q116 PolarHBondContact O-N 3.2Å; Q113-Q116 WeakPolarHBondContact O-CA 3.4Å; Q113-Q116 WeakPolarHBondContact O-CB 3.04Å; Q113-Q116 PolarHBondContact O-N 3.35Å; Q116-S120 WeakPolarHBondContact O-CB 3.24Å; Q116-S120 PolarHBondContact O-N 3.49Å; Q116-S120 PolarHBondContact O-OG 3.34Å; Q116-I132 HydrophobicContact CG-CD1 4.32Å
117I97.3Very high97.3Very high27 Ų2738.1 Ų38.114%0.13820%0.199CC..Hα-helixtrans-64-54.8175.5-62.5139.9000109.7Q113 D114 H119 S120 V121 A195 L196 E199Q113-I117 VanDerWaalsContact O-CD1 3.24Å; Q113-I117 WeakPolarHBondContact O-CD1 3.44Å; Q113-I117 WeakPolarHBondContact O-CG1 3.02Å; Q113-I117 PolarHBondContact O-N 3.2Å; D114-I117 PolarHBondContact O-N 3.18Å; I117-H119 VanDerWaalsContact C-N 3.26Å; I117-H119 PolarHBondContact O-N 2.73Å; I117-S120 PolarHBondContact O-N 2.96Å; I117-S120 VanDerWaalsContact O-N 3.14Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 2.75Å; I117-A195 HydrophobicContact CG2-CB 4Å; I117-L196 HydrophobicContact CG2-CD2 4.3Å; I117-E199 WeakPolarHBondContact CD1-OE1 3.34Å; I117-E199 WeakPolarHBondContact CD1-OE2 3.41Å; I117-E199 WeakPolarHBondContact CG1-OE1 3.36Å
118L97.9Very high97.2Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-58.8-39.4178.7-69.1-169.9000112.1L37 F43 V107 D114 A122 L142 L192L37-L118 HydrophobicContact CD2-CD1 4.33Å; L37-L118 HydrophobicContact CD2-CD2 4.03Å; F43-L118 HydrophobicContact CD1-CD1 3.57Å; F43-L118 HydrophobicContact CD1-CG 4.27Å; F43-L118 HydrophobicContact CE1-CD1 3.4Å; F43-L118 VanDerWaalsContact CE1-CD1 3.4Å; F43-L118 HydrophobicContact CE1-CD2 4.24Å; F43-L118 HydrophobicContact CE1-CG 3.6Å; F43-L118 HydrophobicContact CE2-CD2 4.43Å; F43-L118 HydrophobicContact CG-CD1 4.32Å; F43-L118 HydrophobicContact CZ-CD1 4.09Å; F43-L118 HydrophobicContact CZ-CD2 4.08Å; F43-L118 HydrophobicContact CZ-CG 3.85Å; V107-L118 HydrophobicContact CB-CD1 4.13Å; V107-L118 HydrophobicContact CG1-CD1 3.85Å; V107-L118 HydrophobicContact CG2-CD1 4.43Å; D114-L118 PolarHBondContact O-N 2.7Å; L118-A122 WeakPolarHBondContact O-CB 3.34Å; L118-A122 PolarHBondContact O-N 3.45Å; L118-L142 HydrophobicContact CB-CD2 3.25Å; L118-L142 HydrophobicContact CD1-CD2 3.84Å; L118-L142 HydrophobicContact CG-CD2 4.2Å; L118-L192 HydrophobicContact CD2-CD1 3.15Å; L118-L192 HydrophobicContact CD2-CD2 4.47Å; L118-L192 HydrophobicContact CD2-CG 4.42Å
119H98.5Very high97.1Very high54 Ų5450.2 Ų50.225%0.2525%0.249CC..Hα-helixtrans-62.4-47.5175.6177.4-95.6000111.6A115 I117 V121 A122 I123 I132 L142A115-H119 WeakPolarHBondContact O-CB 3.29Å; A115-H119 PolarHBondContact O-N 3.03Å; I117-H119 VanDerWaalsContact C-N 3.26Å; I117-H119 PolarHBondContact O-N 2.73Å; H119-V121 VanDerWaalsContact C-N 3.34Å; H119-V121 PolarHBondContact O-N 3.04Å; H119-A122 WeakPolarHBondContact O-CB 3.35Å; H119-A122 PolarHBondContact O-N 2.98Å; H119-A122 VanDerWaalsContact O-N 3.11Å; H119-I123 WeakPolarHBondContact O-CG1 3.23Å; H119-I123 PolarHBondContact O-N 3.45Å; H119-I132 HydrophobicContact CB-CD1 3.95Å; H119-I132 HydrophobicContact CB-CG1 4.23Å; H119-L142 HydrophobicContact CB-CD1 3.86Å
120S98.1Very high97.1Very high60 Ų6050.6 Ų50.642%0.4225%0.252SS..Hα-helixtrans-59.6-47.1178.8-55.10000110.8Q116 I117 A122 I123 D124Q116-S120 WeakPolarHBondContact O-CB 3.24Å; Q116-S120 PolarHBondContact O-N 3.49Å; Q116-S120 PolarHBondContact O-OG 3.34Å; I117-S120 PolarHBondContact O-N 2.96Å; I117-S120 VanDerWaalsContact O-N 3.14Å; S120-A122 VanDerWaalsContact C-N 3.3Å; S120-A122 PolarHBondContact O-N 3.28Å; S120-I123 PolarHBondContact O-N 3.3Å; S120-D124 WeakPolarHBondContact O-CB 3.33Å; S120-D124 VanDerWaalsContact O-CG 3.23Å; S120-D124 PolarHBondContact O-N 2.93Å
121V98.2Very high97.2Very high10 Ų1048.9 Ų48.96%0.06125%0.249CC..Hα-helixtrans-57.1-42.7174.1173.80000111.5I117 H119 S125 F188 C191 L192 A195I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 2.75Å; H119-V121 VanDerWaalsContact C-N 3.34Å; H119-V121 PolarHBondContact O-N 3.04Å; V121-S125 WeakPolarHBondContact O-CB 3.45Å; V121-S125 PolarHBondContact O-N 3.12Å; V121-S125 PolarHBondContact O-OG 2.63Å; V121-F188 HydrophobicContact CB-CE2 4.34Å; V121-F188 HydrophobicContact CG1-CD2 3.71Å; V121-F188 HydrophobicContact CG1-CE2 3.76Å; V121-C191 HydrophobicContact CG1-CB 3.74Å; V121-L192 HydrophobicContact CG1-CB 3.99Å; V121-A195 HydrophobicContact CG2-CB 3.53Å
122A98.2Very high97.3Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-62.9-47.617800000112.2L118 H119 S120 S125 G126 F127 V144 F188L118-A122 WeakPolarHBondContact O-CB 3.34Å; L118-A122 PolarHBondContact O-N 3.45Å; H119-A122 WeakPolarHBondContact O-CB 3.35Å; H119-A122 PolarHBondContact O-N 2.98Å; H119-A122 VanDerWaalsContact O-N 3.11Å; S120-A122 VanDerWaalsContact C-N 3.3Å; S120-A122 PolarHBondContact O-N 3.28Å; A122-S125 CarbonylContact O-C 3.6Å; A122-S125 PolarHBondContact O-N 2.77Å; A122-G126 PolarHBondContact O-N 3.06Å; A122-F127 HydrophobicContact CB-CB 4.18Å; A122-F127 WeakPolarHBondContact O-CA 3Å; A122-F127 WeakPolarHBondContact O-CB 3.33Å; A122-F127 PolarHBondContact O-N 2.93Å; A122-V144 HydrophobicContact CB-CG1 4.05Å; A122-V144 HydrophobicContact CB-CG2 4.17Å; A122-F188 HydrophobicContact CB-CD2 4.27Å; A122-F188 HydrophobicContact CB-CE2 3.86Å
123I97.8Very high97.4Very high55 Ų5547.6 Ų47.628%0.28225%0.248SC..Hα-helixtrans-60.3-48.4178-62.4-58.1000110.6H119 S120 S125 G126H119-I123 WeakPolarHBondContact O-CG1 3.23Å; H119-I123 PolarHBondContact O-N 3.45Å; S120-I123 PolarHBondContact O-N 3.3Å; I123-S125 PolarHBondContact O-N 3.27Å; I123-G126 PolarHBondContact O-N 3.11Å
124D96.2Very high97.4Very high123 Ų12347 Ų4766%0.65825%0.251SS*.Hα-helixtrans-63.9-27.6-180-66.8-17.6000111.9S120 G126S120-D124 WeakPolarHBondContact O-CB 3.33Å; S120-D124 VanDerWaalsContact O-CG 3.23Å; S120-D124 PolarHBondContact O-N 2.93Å; D124-G126 VanDerWaalsContact C-N 3.31Å
125S97.1Very high97.2Very high0 Ų048.4 Ų48.40%027%0.268CS..THydrogen-bonded Turntrans-861.2176.9-55.90000113.9V121 A122 I123 R187 F188V121-S125 WeakPolarHBondContact O-CB 3.45Å; V121-S125 PolarHBondContact O-N 3.12Å; V121-S125 PolarHBondContact O-OG 2.63Å; A122-S125 CarbonylContact O-C 3.6Å; A122-S125 PolarHBondContact O-N 2.77Å; I123-S125 PolarHBondContact O-N 3.27Å; S125-R187 PolarHBondContact O-NE 3.21Å; S125-R187 VanDerWaalsContact O-NE 3.11Å; S125-R187 PolarHBondContact O-NH2 3.17Å; S125-F188 VanDerWaalsContact OG-CA 3.24Å; S125-F188 WeakPolarHBondContact OG-CA 3.38Å
126G95.3Very high96.6Very high20 Ų2057.7 Ų57.721%0.20631%0.308CS..THydrogen-bonded Turntrans96.39.117600000115.2A122 I123 D124 R128A122-G126 PolarHBondContact O-N 3.06Å; I123-G126 PolarHBondContact O-N 3.11Å; D124-G126 VanDerWaalsContact C-N 3.31Å; G126-R128 VanDerWaalsContact C-N 3.34Å; G126-R128 PolarHBondContact O-N 3.11Å
127F97.6Very high96Very high0 Ų062.7 Ų62.70%032%0.323CS..  trans-92.761.8175.8-61.8-76.5000111.1F103 A122 N129 S130 V144 R145 R184 F188F103-F127 HydrophobicContact CB-CE1 4.15Å; F103-F127 HydrophobicContact CB-CZ 4.46Å; F103-F127 HydrophobicContact CD1-CD1 4.27Å; F103-F127 AromaticContact CD1-CE1 3.51Å; F103-F127 HydrophobicContact CD1-CE1 3.51Å; F103-F127 HydrophobicContact CD1-CE2 4.3Å; F103-F127 AromaticContact CD1-CZ 3.5Å; F103-F127 HydrophobicContact CD1-CZ 3.5Å; F103-F127 HydrophobicContact CE1-CE1 4.42Å; F103-F127 HydrophobicContact CE1-CZ 4.17Å; F103-F127 HydrophobicContact CG-CE1 4.31Å; F103-F127 HydrophobicContact CG-CZ 4.38Å; A122-F127 HydrophobicContact CB-CB 4.18Å; A122-F127 WeakPolarHBondContact O-CA 3Å; A122-F127 WeakPolarHBondContact O-CB 3.33Å; A122-F127 PolarHBondContact O-N 2.93Å; F127-N129 PolarHBondContact O-N 3.24Å; F127-N129 VanDerWaalsContact O-N 3.11Å; F127-S130 VanDerWaalsContact CB-OG 3.29Å; F127-S130 WeakPolarHBondContact CB-OG 3.42Å; F127-S130 VanDerWaalsContact O-CB 3.23Å; F127-S130 WeakPolarHBondContact O-CB 3.27Å; F127-S130 PolarHBondContact O-N 3.34Å; F127-S130 PolarHBondContact O-OG 2.9Å; F127-V144 HydrophobicContact CB-CG1 3.72Å; F127-V144 HydrophobicContact CD1-CG1 3.96Å; F127-V144 HydrophobicContact CD2-CG1 3.87Å; F127-V144 HydrophobicContact CE2-CG1 4.49Å; F127-V144 HydrophobicContact CG-CG1 3.56Å; F127-R145 CarbonylContact C-O 3.54Å; F127-R145 WeakPolarHBondContact CA-O 3.38Å; F127-R145 WeakPolarHBondContact CB-O 3.42Å; F127-R184 HydrophobicContact CE1-CB 4.32Å; F127-R184 HydrophobicContact CE2-CB 3.97Å; F127-R184 WeakPolarHBondContact CE2-O 3.4Å; F127-R184 HydrophobicContact CZ-CB 3.57Å; F127-F188 HydrophobicContact CD2-CB 4.3Å; F127-F188 HydrophobicContact CD2-CD2 4.42Å; F127-F188 HydrophobicContact CE2-CB 3.75Å; F127-F188 HydrophobicContact CE2-CG 4.26Å
128R95Very high95.5Very high199 Ų19963 Ų6375%0.75133%0.333SS*.THydrogen-bonded Turntrans-64.7-16.1-171.4-64.3-170.9179.3-163.90.7115.4G126 S130G126-R128 VanDerWaalsContact C-N 3.34Å; G126-R128 PolarHBondContact O-N 3.11Å; R128-S130 VanDerWaalsContact C-N 3.32Å
129N96.8Very high95.3Very high71 Ų7167.1 Ų67.138%0.3835%0.351SS..THydrogen-bonded Turntrans-96.910.7178.9-64.775.7000112.5F127 R145 T147F127-N129 PolarHBondContact O-N 3.24Å; F127-N129 VanDerWaalsContact O-N 3.11Å; N129-R145 HydrophobicContact CB-CB 4.36Å; N129-R145 PolarHBondContact O-NE 2.93Å; N129-R145 PolarHBondContact O-NH2 2.89Å; N129-T147 VanDerWaalsContact ND2-CG2 3.33Å; N129-T147 WeakPolarHBondContact ND2-CG2 3.22Å; N129-T147 WeakPolarHBondContact OD1-CG2 3.26Å
130S98.3Very high95.3Very high11 Ų1165.3 Ų65.38%0.07734%0.343CS..  trans-64.9152.4172.1-55.90000110.5F127 R128 A143 V144 R145F127-S130 VanDerWaalsContact CB-OG 3.29Å; F127-S130 WeakPolarHBondContact CB-OG 3.42Å; F127-S130 VanDerWaalsContact O-CB 3.23Å; F127-S130 WeakPolarHBondContact O-CB 3.27Å; F127-S130 PolarHBondContact O-N 3.34Å; F127-S130 PolarHBondContact O-OG 2.9Å; R128-S130 VanDerWaalsContact C-N 3.32Å; S130-A143 CarbonylContact C-O 3.59Å; S130-A143 WeakPolarHBondContact CA-O 3.34Å; S130-A143 VanDerWaalsContact CB-O 3.28Å; S130-A143 WeakPolarHBondContact CB-O 3.15Å; S130-V144 WeakPolarHBondContact OG-CA 3.41Å; S130-R145 PolarHBondContact OG-N 3.36Å; S130-R145 VanDerWaalsContact OG-N 3.17Å
131G98Very high95.3Very high18 Ų1864.5 Ų64.519%0.18633%0.333CS..EExtended strand (participates in β ladder)trans-161.5155.8-178.700000112.7A143G131-A143 PolarHBondContact N-O 3.36Å; G131-A143 PolarHBondContact O-N 3.05Å
132I98.5Very high95.3Very high55 Ų5564 Ų6428%0.28233%0.33SS..EExtended strand (participates in β ladder)trans-103.5135.7178.4-57.2169.8000108.5L112 A115 Q116 H119 I140 M141 L142L112-I132 HydrophobicContact CD1-CG2 4.18Å; A115-I132 HydrophobicContact CB-CD1 3.85Å; A115-I132 HydrophobicContact CB-CG1 4.17Å; A115-I132 HydrophobicContact CB-CG2 4.15Å; Q116-I132 HydrophobicContact CG-CD1 4.32Å; H119-I132 HydrophobicContact CB-CD1 3.95Å; H119-I132 HydrophobicContact CB-CG1 4.23Å; I132-I140 HydrophobicContact CG2-CG2 3.79Å; I132-M141 CarbonylContact C-O 3.57Å; I132-M141 VanDerWaalsContact CA-O 3.32Å; I132-M141 WeakPolarHBondContact CA-O 3.23Å; I132-L142 HydrophobicContact CG1-CD1 3.84Å
133T97.8Very high95.3Very high87 Ų8764.2 Ų64.253%0.53433%0.332SS..EExtended strand (participates in β ladder)trans-122.7131.5173-54.60000109.2M141T133-M141 PolarHBondContact N-O 3.45Å; T133-M141 PolarHBondContact O-N 3.4Å
134V96.8Very high95.3Very high93 Ų9361.6 Ų61.656%0.56432%0.318SS*.EExtended strand (participates in β ladder)trans-105.6105.4174.8-1740000108.3I140V134-I140 HydrophobicContact CG2-CG1 4.44Å
135G91.1Very high95.4Very high38 Ų3860.2 Ų60.239%0.39230%0.304SS..  trans-86.2-178.9-179.900000113.6G138 K139G135-G138 PolarHBondContact O-N 2.96Å; G135-K139 PolarHBondContact N-O 2.97Å
136K85.6Confident95.2Very high196 Ų19661.1 Ų61.185%0.85231%0.31SS*.G310 helixtrans-54148.2173.7-62.4-176.2-179.4-177.80110.9G138 K139K136-G138 PolarHBondContact O-N 3.14Å; K136-K139 PolarHBondContact O-N 3.35Å
137R86Confident94.9Very high200 Ų20065.3 Ų65.376%0.75533%0.332SS*.G310 helixtrans59.620.4-175.8-52-176.7-178176.61.1114
138G87.2Confident94.6Very high34 Ų3466.7 Ų66.735%0.35134%0.338SS..G310 helixtrans72.126.717700000114.1G135 K136 I140G135-G138 PolarHBondContact O-N 2.96Å; K136-G138 PolarHBondContact O-N 3.14Å; G138-I140 PolarHBondContact O-N 3.45Å
139K93.6Very high94.6Very high86 Ų8658.8 Ų58.837%0.37432%0.319SS..  trans-70115.9173.6-71.4-175.3177.5-171.30110W10 G135 K136W10-K139 HydrophobicContact CE3-CG 4.31Å; W10-K139 HydrophobicContact CH2-CD 4.3Å; W10-K139 HydrophobicContact CH2-CG 3.54Å; W10-K139 HydrophobicContact CZ2-CD 4.38Å; W10-K139 HydrophobicContact CZ2-CG 4.09Å; W10-K139 HydrophobicContact CZ3-CG 3.67Å; G135-K139 PolarHBondContact N-O 2.97Å; K136-K139 PolarHBondContact O-N 3.35Å
140I97.8Very high94.6Very high16 Ų1656.9 Ų56.98%0.08231%0.308CS..EExtended strand (participates in β ladder)trans-100.4116.4-178.6-57.7172.8000108.2Q108 C109 Q111 L112 A115 I132 V134 G138Q108-I140 WeakPolarHBondContact CA-O 3.41Å; Q108-I140 VanDerWaalsContact CG-O 3.3Å; Q108-I140 WeakPolarHBondContact CG-O 3.22Å; C109-I140 HydrophobicContact CB-CB 4.5Å; C109-I140 HydrophobicContact CB-CG2 4.28Å; C109-I140 PolarHBondContact N-O 3.13Å; Q111-I140 VanDerWaalsContact C-CD1 3.43Å; L112-I140 HydrophobicContact CB-CD1 3.95Å; L112-I140 HydrophobicContact CD1-CG2 4.48Å; L112-I140 VanDerWaalsContact N-CD1 3.26Å; A115-I140 HydrophobicContact CB-CG2 3.57Å; I132-I140 HydrophobicContact CG2-CG2 3.79Å; V134-I140 HydrophobicContact CG2-CG1 4.44Å; G138-I140 PolarHBondContact O-N 3.45Å
141M97.9Very high94.5Very high42 Ų4262.3 Ų62.321%0.20733%0.333CS..EExtended strand (participates in β ladder)trans-112.5125.5179.5-175.396.8-38.300109.8T46 H106 V107 Q108 I132 T133T46-M141 HydrophobicContact CG2-CE 4.09Å; H106-M141 HydrophobicContact CB-SD 4.11Å; V107-M141 WeakPolarHBondContact O-CE 3.04Å; Q108-M141 HydrophobicContact CB-CE 3.32Å; Q108-M141 HydrophobicContact CG-CE 3.6Å; Q108-M141 VanDerWaalsContact N-CE 3.31Å; I132-M141 CarbonylContact C-O 3.57Å; I132-M141 VanDerWaalsContact CA-O 3.32Å; I132-M141 WeakPolarHBondContact CA-O 3.23Å; T133-M141 PolarHBondContact N-O 3.45Å; T133-M141 PolarHBondContact O-N 3.4Å
142L98.4Very high94.4Very high0 Ų062.5 Ų62.50%033%0.33CS..EExtended strand (participates in β ladder)trans-94.8133.9161.5179.474.2000109.7H106 V107 L118 H119 I132 V144H106-L142 WeakPolarHBondContact CA-O 3.49Å; V107-L142 PolarHBondContact N-O 3.14Å; V107-L142 PolarHBondContact O-N 3Å; L118-L142 HydrophobicContact CB-CD2 3.25Å; L118-L142 HydrophobicContact CD1-CD2 3.84Å; L118-L142 HydrophobicContact CG-CD2 4.2Å; H119-L142 HydrophobicContact CB-CD1 3.86Å; I132-L142 HydrophobicContact CG1-CD1 3.84Å; L142-V144 HydrophobicContact CD2-CG2 3.82Å; L142-V144 HydrophobicContact CG-CG2 4.18Å
143A98.4Very high94.2Very high4 Ų464.1 Ų64.13%0.03334%0.344CS..EExtended strand (participates in β ladder)trans-112.111816500000109.1L105 S130 G131 R145L105-A143 CarbonylContact O-C 3.5Å; L105-A143 WeakPolarHBondContact O-CA 3.46Å; S130-A143 CarbonylContact C-O 3.59Å; S130-A143 WeakPolarHBondContact CA-O 3.34Å; S130-A143 VanDerWaalsContact CB-O 3.28Å; S130-A143 WeakPolarHBondContact CB-O 3.15Å; G131-A143 PolarHBondContact N-O 3.36Å; G131-A143 PolarHBondContact O-N 3.05Å; A143-R145 HydrophobicContact CB-CG 4.39Å
144V98.5Very high94.1Very high0 Ų060 Ų600%032%0.318CS..EExtended strand (participates in β ladder)trans-89.9119.4172-176.70000108.2F103 I104 L105 A122 F127 S130 L142 F188F103-V144 HydrophobicContact CD1-CG1 4.3Å; F103-V144 HydrophobicContact CE1-CB 4.36Å; F103-V144 HydrophobicContact CE1-CG1 3.85Å; I104-V144 WeakPolarHBondContact CA-O 3.44Å; L105-V144 HydrophobicContact CB-CB 4.2Å; L105-V144 HydrophobicContact CD2-CG2 4.46Å; L105-V144 PolarHBondContact N-O 3.28Å; L105-V144 PolarHBondContact O-N 2.88Å; A122-V144 HydrophobicContact CB-CG1 4.05Å; A122-V144 HydrophobicContact CB-CG2 4.17Å; F127-V144 HydrophobicContact CB-CG1 3.72Å; F127-V144 HydrophobicContact CD1-CG1 3.96Å; F127-V144 HydrophobicContact CD2-CG1 3.87Å; F127-V144 HydrophobicContact CE2-CG1 4.49Å; F127-V144 HydrophobicContact CG-CG1 3.56Å; S130-V144 WeakPolarHBondContact OG-CA 3.41Å; L142-V144 HydrophobicContact CD2-CG2 3.82Å; L142-V144 HydrophobicContact CG-CG2 4.18Å; V144-F188 HydrophobicContact CG2-CE2 4.35Å; V144-F188 HydrophobicContact CG2-CZ 4.02Å
145R97.2Very high93.9Very high95 Ų9555.9 Ų55.936%0.35829%0.294SS..  trans-144152.9-172.9-63.6-178.6-61.2-113-6112.4I104 F127 N129 S130 A143I104-R145 HydrophobicContact CD1-CG 4.07Å; I104-R145 HydrophobicContact CG1-CG 4.13Å; F127-R145 CarbonylContact C-O 3.54Å; F127-R145 WeakPolarHBondContact CA-O 3.38Å; F127-R145 WeakPolarHBondContact CB-O 3.42Å; N129-R145 HydrophobicContact CB-CB 4.36Å; N129-R145 PolarHBondContact O-NE 2.93Å; N129-R145 PolarHBondContact O-NH2 2.89Å; S130-R145 PolarHBondContact OG-N 3.36Å; S130-R145 VanDerWaalsContact OG-N 3.17Å; A143-R145 HydrophobicContact CB-CG 4.39Å
146S93.6Very high93.8Very high19 Ų1957.6 Ų57.613%0.13329%0.292CS..  trans-120.3157.4174-156.70000111.9H148 R184S146-H148 VanDerWaalsContact C-N 3.3Å; S146-H148 WeakPolarHBondContact OG-CB 3.44Å; S146-H148 PolarHBondContact OG-N 3.06Å; S146-R184 PolarHBondContact OG-NH1 2.69Å; S146-R184 VanDerWaalsContact OG-NH1 3.13Å
147T89.4Confident93.9Very high107 Ų10754.7 Ų54.766%0.65628%0.279SS*.  trans-86.6-2164.439.50000113.1N129 G149N129-T147 VanDerWaalsContact ND2-CG2 3.33Å; N129-T147 WeakPolarHBondContact ND2-CG2 3.22Å; N129-T147 WeakPolarHBondContact OD1-CG2 3.26Å; T147-G149 PolarHBondContact O-N 3.36Å
148H89.8Confident93.9Very high29 Ų2947 Ų4713%0.13426%0.262CS..  trans-7188-177.1-171.563.6000110.9F100 P102 S146 K177F100-H148 AromaticContact CE1-CD2 3.51Å; F100-H148 WeakPolarHBondContact CE1-O 3.32Å; P102-H148 HydrophobicContact CB-CB 4.38Å; P102-H148 VanDerWaalsContact CB-O 3.24Å; P102-H148 WeakPolarHBondContact CB-O 3.47Å; P102-H148 WeakPolarHBondContact CD-O 3.42Å; P102-H148 WeakPolarHBondContact CG-O 3.43Å; S146-H148 VanDerWaalsContact C-N 3.3Å; S146-H148 WeakPolarHBondContact OG-CB 3.44Å; S146-H148 PolarHBondContact OG-N 3.06Å; H148-K177 PolarHBondContact CD2-O 2.88Å; H148-K177 WeakPolarHBondContact NE2-CA 3.38Å; H148-K177 WeakPolarHBondContact NE2-CB 3.35Å; H148-K177 PolarHBondContact NE2-O 3.01Å
149G95Very high94Very high33 Ų3352.4 Ų52.434%0.3428%0.276SS..  trans-126.9172.9-179.200000113.1F100 T147 K177F100-G149 WeakPolarHBondContact O-CA 3.37Å; T147-G149 PolarHBondContact O-N 3.36Å; G149-K177 VanDerWaalsContact O-CE 3.31Å; G149-K177 WeakPolarHBondContact O-CE 3.31Å; G149-K177 PolarHBondContact O-NZ 3.26Å
150L97.1Very high94Very high31 Ų3152 Ų5216%0.16228%0.278CS..EExtended strand (participates in β ladder)trans-143.6136.7163.2-17866.3000106.9K99 F100 V152 A174 K177K99-L150 CarbonylContact C-O 3.59Å; K99-L150 WeakPolarHBondContact CA-O 3.19Å; F100-L150 HydrophobicContact CB-CB 3.83Å; F100-L150 PolarHBondContact N-O 2.8Å; F100-L150 PolarHBondContact O-N 2.68Å; F100-L150 VanDerWaalsContact O-N 3.11Å; L150-V152 HydrophobicContact CD1-CG2 3.63Å; L150-V152 HydrophobicContact CG-CG2 3.96Å; L150-A174 HydrophobicContact CD2-CB 3.99Å; L150-K177 HydrophobicContact CB-CD 4.03Å
151E96.3Very high93.9Very high126 Ų12656.8 Ų56.859%0.58930%0.301SS*.EExtended strand (participates in β ladder)trans-147.1113.2173.9173.8161.4-164.100107.5T97 L98 K99T97-E151 HydrophobicContact CG2-CG 3.83Å; L98-E151 WeakPolarHBondContact O-CA 3.3Å; K99-E151 VanDerWaalsContact CE-CG 3.44Å; K99-E151 WeakPolarHBondContact CE-OE1 3.49Å; K99-E151 WeakPolarHBondContact CE-OE2 3.26Å; K99-E151 IonicContact NZ-OE1 3.1Å; K99-E151 PolarHBondContact NZ-OE1 2.84Å; K99-E151 IonicContact NZ-OE2 3.63Å; K99-E151 PolarHBondContact NZ-OE2 2.99Å
152V96.4Very high93.8Very high21 Ų2156.2 Ų56.213%0.12730%0.3CS..EExtended strand (participates in β ladder)trans-138119.4-174.4-171.90000110.1L98 L150 L154 Y166 L170L98-V152 PolarHBondContact N-O 2.88Å; L98-V152 PolarHBondContact O-N 2.91Å; L150-V152 HydrophobicContact CD1-CG2 3.63Å; L150-V152 HydrophobicContact CG-CG2 3.96Å; V152-L154 HydrophobicContact CG1-CD2 4.17Å; V152-Y166 HydrophobicContact CG1-CE1 4.24Å; V152-L170 HydrophobicContact CB-CD1 4.1Å; V152-L170 HydrophobicContact CG1-CD1 3.82Å; V152-L170 HydrophobicContact CG1-CD2 4.45Å; V152-L170 HydrophobicContact CG2-CD1 4.42Å; V152-L170 HydrophobicContact CG2-CD2 3.99Å
153P94.4Very high93.7Very high89 Ų8960.4 Ų60.458%0.57833%0.326SS*.EExtended strand (participates in β ladder)trans-69.5130.6172.229-32.9000109.9
154L95Very high93.5Very high0 Ų065.5 Ų65.50%035%0.349CS..  trans-108.2-30.4-178.6-57.2-171.4000112.6L55 L89 A96 L98 V152 L160 M161 V162 L170L55-L154 HydrophobicContact CD1-CD1 4.01Å; L89-L154 HydrophobicContact CD1-CD1 4.09Å; L89-L154 HydrophobicContact CD2-CB 4.13Å; L89-L154 HydrophobicContact CD2-CD1 4.06Å; A96-L154 PolarHBondContact O-N 3.18Å; L98-L154 HydrophobicContact CB-CD1 3.74Å; L98-L154 HydrophobicContact CB-CD2 4.4Å; L98-L154 HydrophobicContact CB-CG 4.03Å; V152-L154 HydrophobicContact CG1-CD2 4.17Å; L154-L160 HydrophobicContact CB-CD1 4.45Å; L154-L160 WeakPolarHBondContact O-CD1 3.12Å; L154-M161 PolarHBondContact O-N 3.38Å; L154-V162 HydrophobicContact CB-CG2 4.29Å; L154-V162 HydrophobicContact CD2-CG2 4.13Å; L154-L170 HydrophobicContact CD2-CD1 3.52Å
155S92.5Very high93.5Very high8 Ų873 Ų736%0.05638%0.384CS..EExtended strand (participates in β ladder)trans-132.6155.6177.560.40000111.6G94 D95 A96 K159G94-S155 PolarHBondContact O-OG 2.86Å; D95-S155 WeakPolarHBondContact CA-O 3.37Å; A96-S155 WeakPolarHBondContact CA-OG 3.15Å; A96-S155 WeakPolarHBondContact CB-OG 3.05Å; A96-S155 PolarHBondContact N-OG 2.91Å; A96-S155 PolarHBondContact O-N 2.85Å; S155-K159 CarbonylContact C-O 3.49Å; S155-K159 WeakPolarHBondContact CA-O 3.14Å; S155-K159 WeakPolarHBondContact CB-O 3.44Å
156H90.2Very high93.5Very high74 Ų7473 Ų7334%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-131.9124.7172.9-176.556000109.7D95 G158 K159 M161D95-H156 WeakPolarHBondContact OD1-CA 3.48Å; D95-H156 IonicContact OD1-CE1 3.43Å; D95-H156 IonicContact OD1-CG 3.82Å; D95-H156 IonicContact OD1-ND1 2.69Å; D95-H156 PolarHBondContact OD1-ND1 3.29Å; D95-H156 IonicContact OD2-CE1 3.25Å; D95-H156 IonicContact OD2-ND1 3.45Å; D95-H156 PolarHBondContact OD2-ND1 3.35Å; H156-G158 PolarHBondContact O-N 3.02Å; H156-K159 PolarHBondContact N-O 2.7Å; H156-K159 WeakPolarHBondContact O-CB 3.22Å; H156-K159 PolarHBondContact O-N 3.21Å; H156-M161 HydrophobicContact CB-CG 3.88Å; H156-M161 HydrophobicContact CB-SD 4.18Å
157K86.9Confident93.6Very high134 Ų13472.1 Ų72.158%0.58338%0.378SS*.THydrogen-bonded Turntrans50.144.4-176.9-60.4177.3179.5178.90112.1I60 D95 K159I60-K157 HydrophobicContact CG2-CG 4.49Å; D95-K157 PolarHBondContact OD1-N 3.46Å; K157-K159 PolarHBondContact O-N 2.88Å
158G85.2Confident93.9Very high39 Ų3969.4 Ų69.440%0.40236%0.36SS..THydrogen-bonded Turntrans75.2-4.8-179.300000115.2G94 H156G94-G158 PolarHBondContact O-N 3.14Å; H156-G158 PolarHBondContact O-N 3.02Å
159K90.7Very high94.3Very high148 Ų14873.8 Ų73.864%0.64338%0.379SS*.EExtended strand (participates in β ladder)trans-90.3124.3174.8-175.1-179.2176.7-176.90110.2S155 H156 K157 M161S155-K159 CarbonylContact C-O 3.49Å; S155-K159 WeakPolarHBondContact CA-O 3.14Å; S155-K159 WeakPolarHBondContact CB-O 3.44Å; H156-K159 PolarHBondContact N-O 2.7Å; H156-K159 WeakPolarHBondContact O-CB 3.22Å; H156-K159 PolarHBondContact O-N 3.21Å; K157-K159 PolarHBondContact O-N 2.88Å; K159-M161 HydrophobicContact CD-SD 4.33Å; K159-M161 HydrophobicContact CG-SD 4.35Å; K159-M161 WeakPolarHBondContact O-CG 3.32Å; K159-M161 PolarHBondContact O-N 3.4Å
160L93.9Very high94.5Very high77 Ų7772.5 Ų72.540%0.40336%0.364SS..EExtended strand (participates in β ladder)trans-63.5127.2171-169.270.8000110L89 L154 V162 I167L89-L160 HydrophobicContact CD1-CD1 4.14Å; L89-L160 HydrophobicContact CD2-CD1 4.31Å; L154-L160 HydrophobicContact CB-CD1 4.45Å; L154-L160 WeakPolarHBondContact O-CD1 3.12Å; L160-V162 HydrophobicContact CD1-CG2 4Å; L160-V162 WeakPolarHBondContact CD2-O 3.24Å; L160-V162 HydrophobicContact CG-CG2 4.3Å; L160-I167 HydrophobicContact CD1-CD1 4.44Å; L160-I167 HydrophobicContact CD2-CD1 4.45Å
161M95.9Very high94.5Very high116 Ų11671.3 Ų71.357%0.57136%0.358SS*.  trans-103.3-4.4-174.6-61.1-58.6-69.600113L154 H156 K159L154-M161 PolarHBondContact O-N 3.38Å; H156-M161 HydrophobicContact CB-CG 3.88Å; H156-M161 HydrophobicContact CB-SD 4.18Å; K159-M161 HydrophobicContact CD-SD 4.33Å; K159-M161 HydrophobicContact CG-SD 4.35Å; K159-M161 WeakPolarHBondContact O-CG 3.32Å; K159-M161 PolarHBondContact O-N 3.4Å
162V95.8Very high94.6Very high31 Ų3169.9 Ų69.919%0.18835%0.354CS..SBendtrans-125.8158.3-174.1-60.80000111.3L154 L160 Y166 I167L154-V162 HydrophobicContact CB-CG2 4.29Å; L154-V162 HydrophobicContact CD2-CG2 4.13Å; L160-V162 HydrophobicContact CD1-CG2 4Å; L160-V162 WeakPolarHBondContact CD2-O 3.24Å; L160-V162 HydrophobicContact CG-CG2 4.3Å; V162-Y166 HydrophobicContact CB-CD1 3.7Å; V162-Y166 HydrophobicContact CB-CE1 4.49Å; V162-Y166 HydrophobicContact CB-CG 4.43Å; V162-Y166 HydrophobicContact CG1-CD1 3.6Å; V162-Y166 HydrophobicContact CG1-CE1 3.89Å; V162-Y166 HydrophobicContact CG2-CD1 4.34Å; V162-I167 HydrophobicContact CG2-CD1 4.08Å; V162-I167 HydrophobicContact CG2-CG1 3.79Å
163T96.2Very high94.6Very high88 Ų8870.4 Ų70.454%0.5436%0.357SS..  trans-81159.3173.761.20000111.1E165 Y166 I167T163-E165 VanDerWaalsContact C-N 3.26Å; T163-E165 PolarHBondContact O-N 3.4Å; T163-Y166 PolarHBondContact O-N 2.94Å; T163-Y166 VanDerWaalsContact O-N 3.16Å; T163-Y166 PolarHBondContact OG1-N 3.32Å; T163-I167 PolarHBondContact O-N 3.22Å; T163-I167 VanDerWaalsContact O-N 3.14Å
164E94.4Very high94.8Very high111 Ų11166.2 Ų66.252%0.51933%0.33SS..Hα-helixtrans-61.2-35.6173-69-170.7-161.700112.7K82 I86 Y166 I167 D168K82-E164 IonicContact NZ-OE2 3.2Å; I86-E164 HydrophobicContact CD1-CG 4.42Å; E164-Y166 VanDerWaalsContact C-N 3.28Å; E164-Y166 PolarHBondContact O-N 2.97Å; E164-I167 WeakPolarHBondContact O-CB 3.42Å; E164-I167 PolarHBondContact O-N 3.48Å; E164-I167 VanDerWaalsContact O-N 3.14Å; E164-D168 PolarHBondContact O-N 3.19Å
165E96.6Very high95Very high158 Ų15868 Ų6874%0.73834%0.339SS*.Hα-helixtrans-59.5-40.1174.5-176.7-175.4-17800111.7T163 I167 D168 F169T163-E165 VanDerWaalsContact C-N 3.26Å; T163-E165 PolarHBondContact O-N 3.4Å; E165-I167 VanDerWaalsContact C-N 3.35Å; E165-D168 PolarHBondContact O-N 3.27Å; E165-F169 PolarHBondContact O-N 3.2Å
166Y97.2Very high95.2Very high93 Ų9374.1 Ų74.137%0.36537%0.367SS..Hα-helixtrans-67.9-36.8175.9-172.9-107.8000111.8V152 V162 T163 E164 D168 F169 L170V152-Y166 HydrophobicContact CG1-CE1 4.24Å; V162-Y166 HydrophobicContact CB-CD1 3.7Å; V162-Y166 HydrophobicContact CB-CE1 4.49Å; V162-Y166 HydrophobicContact CB-CG 4.43Å; V162-Y166 HydrophobicContact CG1-CD1 3.6Å; V162-Y166 HydrophobicContact CG1-CE1 3.89Å; V162-Y166 HydrophobicContact CG2-CD1 4.34Å; T163-Y166 PolarHBondContact O-N 2.94Å; T163-Y166 VanDerWaalsContact O-N 3.16Å; T163-Y166 PolarHBondContact OG1-N 3.32Å; E164-Y166 VanDerWaalsContact C-N 3.28Å; E164-Y166 PolarHBondContact O-N 2.97Å; Y166-D168 VanDerWaalsContact C-N 3.32Å; Y166-D168 PolarHBondContact O-N 2.98Å; Y166-F169 HydrophobicContact CD2-CD1 4.37Å; Y166-F169 HydrophobicContact CE2-CD1 4.22Å; Y166-F169 PolarHBondContact O-N 3.17Å; Y166-L170 HydrophobicContact CD1-CD1 3.8Å; Y166-L170 HydrophobicContact CD1-CG 4.06Å; Y166-L170 HydrophobicContact CE1-CD1 3.47Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.47Å; Y166-L170 HydrophobicContact CE1-CD2 4.11Å; Y166-L170 HydrophobicContact CE1-CG 3.79Å; Y166-L170 WeakPolarHBondContact O-CG 3.38Å; Y166-L170 PolarHBondContact O-N 2.86Å
167I96.6Very high95.6Very high1 Ų172.8 Ų72.81%0.00536%0.36CS..Hα-helixtrans-61.2-43.3173.9-64.7170000110.3V85 I86 L89 L160 V162 T163 E164 E165 F169 L170 L171V85-I167 HydrophobicContact CG1-CG2 4.06Å; I86-I167 HydrophobicContact CD1-CD1 3.88Å; I86-I167 HydrophobicContact CD1-CG2 4.49Å; L89-I167 HydrophobicContact CD1-CD1 3.7Å; L160-I167 HydrophobicContact CD1-CD1 4.44Å; L160-I167 HydrophobicContact CD2-CD1 4.45Å; V162-I167 HydrophobicContact CG2-CD1 4.08Å; V162-I167 HydrophobicContact CG2-CG1 3.79Å; T163-I167 PolarHBondContact O-N 3.22Å; T163-I167 VanDerWaalsContact O-N 3.14Å; E164-I167 WeakPolarHBondContact O-CB 3.42Å; E164-I167 PolarHBondContact O-N 3.48Å; E164-I167 VanDerWaalsContact O-N 3.14Å; E165-I167 VanDerWaalsContact C-N 3.35Å; I167-F169 PolarHBondContact O-N 3.35Å; I167-L170 PolarHBondContact O-N 3.2Å; I167-L171 HydrophobicContact CG2-CD1 4.09Å; I167-L171 HydrophobicContact CG2-CG 4.44Å; I167-L171 WeakPolarHBondContact O-CB 3.48Å; I167-L171 WeakPolarHBondContact O-CG 3.21Å; I167-L171 PolarHBondContact O-N 2.97Å
168D96.8Very high96.1Very high51 Ų5166.4 Ų66.427%0.27333%0.333SS..Hα-helixtrans-60.9-44.7176.8-70.1-21.8000111.9K82 E164 E165 Y166 L171 N172K82-D168 WeakPolarHBondContact CD-OD1 3.22Å; K82-D168 WeakPolarHBondContact CE-OD1 3.46Å; K82-D168 WeakPolarHBondContact CE-OD2 3.09Å; K82-D168 WeakPolarHBondContact CG-OD1 3.46Å; K82-D168 VanDerWaalsContact NZ-CG 3.33Å; K82-D168 IonicContact NZ-OD1 3.9Å; K82-D168 PolarHBondContact NZ-OD1 2.87Å; K82-D168 IonicContact NZ-OD2 3.77Å; K82-D168 PolarHBondContact NZ-OD2 3.3Å; E164-D168 PolarHBondContact O-N 3.19Å; E165-D168 PolarHBondContact O-N 3.27Å; Y166-D168 VanDerWaalsContact C-N 3.32Å; Y166-D168 PolarHBondContact O-N 2.98Å; D168-L171 PolarHBondContact O-N 3.35Å; D168-N172 PolarHBondContact O-N 2.85Å; D168-N172 PolarHBondContact O-ND2 2.88Å; D168-N172 VanDerWaalsContact O-ND2 3.17Å
169F98Very high96.7Very high121 Ų12168.9 Ų68.953%0.53133%0.334SS..Hα-helixtrans-58.8-48.4174170.1-101.6000111.9E165 Y166 I167 L171 N172 V173E165-F169 PolarHBondContact O-N 3.2Å; Y166-F169 HydrophobicContact CD2-CD1 4.37Å; Y166-F169 HydrophobicContact CE2-CD1 4.22Å; Y166-F169 PolarHBondContact O-N 3.17Å; I167-F169 PolarHBondContact O-N 3.35Å; F169-L171 VanDerWaalsContact C-N 3.32Å; F169-L171 PolarHBondContact O-N 2.79Å; F169-N172 PolarHBondContact O-N 3.11Å; F169-V173 HydrophobicContact CD2-CG2 4.44Å; F169-V173 HydrophobicContact CE1-CG2 4.08Å; F169-V173 HydrophobicContact CE2-CG2 3.94Å; F169-V173 HydrophobicContact CZ-CG2 3.74Å; F169-V173 WeakPolarHBondContact O-CG2 3.44Å; F169-V173 PolarHBondContact O-N 2.88Å
170L97.9Very high97Very high5 Ų564.7 Ų64.73%0.02632%0.317CS..Hα-helixtrans-62.2-39.6179.3-72.5-177.4000112.4L98 V152 L154 Y166 I167 V173 A174L98-L170 HydrophobicContact CD2-CB 4.02Å; L98-L170 HydrophobicContact CD2-CD1 4.28Å; V152-L170 HydrophobicContact CB-CD1 4.1Å; V152-L170 HydrophobicContact CG1-CD1 3.82Å; V152-L170 HydrophobicContact CG1-CD2 4.45Å; V152-L170 HydrophobicContact CG2-CD1 4.42Å; V152-L170 HydrophobicContact CG2-CD2 3.99Å; L154-L170 HydrophobicContact CD2-CD1 3.52Å; Y166-L170 HydrophobicContact CD1-CD1 3.8Å; Y166-L170 HydrophobicContact CD1-CG 4.06Å; Y166-L170 HydrophobicContact CE1-CD1 3.47Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.47Å; Y166-L170 HydrophobicContact CE1-CD2 4.11Å; Y166-L170 HydrophobicContact CE1-CG 3.79Å; Y166-L170 WeakPolarHBondContact O-CG 3.38Å; Y166-L170 PolarHBondContact O-N 2.86Å; I167-L170 PolarHBondContact O-N 3.2Å; L170-V173 PolarHBondContact O-N 2.92Å; L170-A174 WeakPolarHBondContact O-CB 3.47Å; L170-A174 PolarHBondContact O-N 2.69Å
171L97.2Very high97.2Very high6 Ų661 Ų613%0.03130%0.298CS..Hα-helixtrans-64.7-42.9176.8-82.2176.9000111.9C80 K82 V85 I167 D168 F169 V173 A174 N175C80-L171 HydrophobicContact CB-CD2 3.91Å; K82-L171 VanDerWaalsContact CA-CD1 3.47Å; K82-L171 HydrophobicContact CB-CD1 4.07Å; K82-L171 HydrophobicContact CG-CD1 4.4Å; V85-L171 HydrophobicContact CB-CD1 4.3Å; V85-L171 HydrophobicContact CG2-CD1 3.99Å; V85-L171 HydrophobicContact CG2-CD2 3.71Å; V85-L171 HydrophobicContact CG2-CG 4.31Å; I167-L171 HydrophobicContact CG2-CD1 4.09Å; I167-L171 HydrophobicContact CG2-CG 4.44Å; I167-L171 WeakPolarHBondContact O-CB 3.48Å; I167-L171 WeakPolarHBondContact O-CG 3.21Å; I167-L171 PolarHBondContact O-N 2.97Å; D168-L171 PolarHBondContact O-N 3.35Å; F169-L171 VanDerWaalsContact C-N 3.32Å; F169-L171 PolarHBondContact O-N 2.79Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.29Å; L171-A174 PolarHBondContact O-N 2.9Å; L171-N175 VanDerWaalsContact O-CB 3.32Å; L171-N175 WeakPolarHBondContact O-CB 3.24Å; L171-N175 VanDerWaalsContact O-CG 3.25Å; L171-N175 PolarHBondContact O-N 2.88Å; L171-N175 PolarHBondContact O-ND2 2.89Å
172N97.9Very high97.2Very high97 Ų9758.1 Ų58.152%0.51928%0.282SS..Hα-helixtrans-58.4-45173.3-73.7-34.4000111.3D168 F169 N175 Q176D168-N172 PolarHBondContact O-N 2.85Å; D168-N172 PolarHBondContact O-ND2 2.88Å; D168-N172 VanDerWaalsContact O-ND2 3.17Å; F169-N172 PolarHBondContact O-N 3.11Å; N172-N175 PolarHBondContact O-N 3.3Å; N172-Q176 WeakPolarHBondContact O-CB 3.42Å; N172-Q176 VanDerWaalsContact O-CG 3.24Å; N172-Q176 WeakPolarHBondContact O-CG 3.35Å; N172-Q176 PolarHBondContact O-N 3.36Å
173V98.2Very high97.3Very high32 Ų3261.6 Ų61.619%0.19429%0.294CS..Hα-helixtrans-63.5-45175.9173.50000111.6F169 L170 L171 N175 Q176 K177F169-V173 HydrophobicContact CD2-CG2 4.44Å; F169-V173 HydrophobicContact CE1-CG2 4.08Å; F169-V173 HydrophobicContact CE2-CG2 3.94Å; F169-V173 HydrophobicContact CZ-CG2 3.74Å; F169-V173 WeakPolarHBondContact O-CG2 3.44Å; F169-V173 PolarHBondContact O-N 2.88Å; L170-V173 PolarHBondContact O-N 2.92Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.29Å; V173-N175 PolarHBondContact O-N 3.5Å; V173-Q176 PolarHBondContact O-N 3.13Å; V173-K177 HydrophobicContact CG1-CD 4.13Å; V173-K177 WeakPolarHBondContact O-CB 3.39Å; V173-K177 VanDerWaalsContact O-CG 3.27Å; V173-K177 WeakPolarHBondContact O-CG 3.38Å; V173-K177 PolarHBondContact O-N 3.27Å
174A98.1Very high97.3Very high0 Ų059.7 Ų59.70%028%0.277CS..Hα-helixtrans-62.9-42.1179.300000111.8I53 L150 L170 L171 K177 M178I53-A174 HydrophobicContact CD1-CB 3.85Å; I53-A174 HydrophobicContact CG1-CB 4.24Å; L150-A174 HydrophobicContact CD2-CB 3.99Å; L170-A174 WeakPolarHBondContact O-CB 3.47Å; L170-A174 PolarHBondContact O-N 2.69Å; L171-A174 PolarHBondContact O-N 2.9Å; A174-K177 WeakPolarHBondContact O-CB 3.26Å; A174-K177 PolarHBondContact O-N 2.89Å; A174-M178 PolarHBondContact O-N 2.76Å
175N98.1Very high97.5Very high37 Ų3754.8 Ų54.820%0.19825%0.254CS..Hα-helixtrans-68.4-40.4177.5-71.7-20.2000112I53 P79 C80 L171 N172 V173 K177 M178 E179I53-N175 VanDerWaalsContact CD1-OD1 3.32Å; I53-N175 WeakPolarHBondContact CD1-OD1 3.5Å; P79-N175 VanDerWaalsContact CA-OD1 3.31Å; P79-N175 WeakPolarHBondContact CA-OD1 3.47Å; C80-N175 PolarHBondContact N-OD1 2.98Å; C80-N175 PolarHBondContact O-ND2 2.91Å; L171-N175 VanDerWaalsContact O-CB 3.32Å; L171-N175 WeakPolarHBondContact O-CB 3.24Å; L171-N175 VanDerWaalsContact O-CG 3.25Å; L171-N175 PolarHBondContact O-N 2.88Å; L171-N175 PolarHBondContact O-ND2 2.89Å; N172-N175 PolarHBondContact O-N 3.3Å; V173-N175 PolarHBondContact O-N 3.5Å; N175-K177 VanDerWaalsContact C-N 3.28Å; N175-K177 PolarHBondContact O-N 2.91Å; N175-M178 WeakPolarHBondContact O-CB 3.48Å; N175-M178 PolarHBondContact O-N 3.26Å; N175-E179 PolarHBondContact O-N 3.39Å
176Q98.1Very high97.6Very high137 Ų13752.9 Ų52.964%0.6425%0.246SC*.Hα-helixtrans-61.1-38.8171-74.5174.5-0.400111.8N172 V173 E179 E180N172-Q176 WeakPolarHBondContact O-CB 3.42Å; N172-Q176 VanDerWaalsContact O-CG 3.24Å; N172-Q176 WeakPolarHBondContact O-CG 3.35Å; N172-Q176 PolarHBondContact O-N 3.36Å; V173-Q176 PolarHBondContact O-N 3.13Å; Q176-E179 PolarHBondContact O-N 3.16Å; Q176-E180 PolarHBondContact O-N 2.82Å
177K97.7Very high97.6Very high46 Ų4653.3 Ų53.320%0.225%0.246CC..Hα-helixtrans-65.6-41.2175.3-74.3175.3172.2-800111.9F100 H148 G149 L150 V173 A174 N175 E179 N181F100-K177 HydrophobicContact CD1-CB 3.72Å; F100-K177 HydrophobicContact CD1-CD 4.09Å; F100-K177 HydrophobicContact CD1-CG 4.48Å; F100-K177 HydrophobicContact CE1-CB 3.71Å; F100-K177 HydrophobicContact CG-CB 4.14Å; F100-K177 HydrophobicContact CZ-CB 4.13Å; H148-K177 PolarHBondContact CD2-O 2.88Å; H148-K177 WeakPolarHBondContact NE2-CA 3.38Å; H148-K177 WeakPolarHBondContact NE2-CB 3.35Å; H148-K177 PolarHBondContact NE2-O 3.01Å; G149-K177 VanDerWaalsContact O-CE 3.31Å; G149-K177 WeakPolarHBondContact O-CE 3.31Å; G149-K177 PolarHBondContact O-NZ 3.26Å; L150-K177 HydrophobicContact CB-CD 4.03Å; V173-K177 HydrophobicContact CG1-CD 4.13Å; V173-K177 WeakPolarHBondContact O-CB 3.39Å; V173-K177 VanDerWaalsContact O-CG 3.27Å; V173-K177 WeakPolarHBondContact O-CG 3.38Å; V173-K177 PolarHBondContact O-N 3.27Å; A174-K177 WeakPolarHBondContact O-CB 3.26Å; A174-K177 PolarHBondContact O-N 2.89Å; N175-K177 VanDerWaalsContact C-N 3.28Å; N175-K177 PolarHBondContact O-N 2.91Å; K177-E179 VanDerWaalsContact C-N 3.34Å; K177-N181 VanDerWaalsContact O-CB 3.28Å; K177-N181 WeakPolarHBondContact O-CB 3.32Å; K177-N181 PolarHBondContact O-N 2.94Å
178M97.7Very high97.7Very high1 Ų153.3 Ų53.31%0.00525%0.246CC..Hα-helixtrans-59-44.9173.7-176.666.977.300111.4I53 F100 A174 N175 N181 K182I53-M178 HydrophobicContact CD1-CE 4.33Å; I53-M178 HydrophobicContact CG1-CE 4Å; F100-M178 HydrophobicContact CD2-CE 4.22Å; F100-M178 HydrophobicContact CE2-CB 3.95Å; F100-M178 HydrophobicContact CE2-CE 3.86Å; F100-M178 HydrophobicContact CE2-SD 3.92Å; A174-M178 PolarHBondContact O-N 2.76Å; N175-M178 WeakPolarHBondContact O-CB 3.48Å; N175-M178 PolarHBondContact O-N 3.26Å; M178-N181 WeakPolarHBondContact O-CB 3.35Å; M178-N181 PolarHBondContact O-N 3.22Å; M178-K182 WeakPolarHBondContact O-CG 3.43Å; M178-K182 PolarHBondContact O-N 2.97Å
179E97.5Very high97.8Very high90 Ų9053.2 Ų53.242%0.42124%0.243SC..Hα-helixtrans-64.2-47.3179.4-177.355.3-150.200112.5N175 Q176 K177 N181 K182 K183N175-E179 PolarHBondContact O-N 3.39Å; Q176-E179 PolarHBondContact O-N 3.16Å; K177-E179 VanDerWaalsContact C-N 3.34Å; E179-N181 PolarHBondContact O-N 3.43Å; E179-K182 PolarHBondContact O-N 2.83Å; E179-K183 PolarHBondContact O-N 3.09Å; E179-K183 VanDerWaalsContact O-N 3.14Å; E179-K183 VanDerWaalsContact OE1-CE 3.28Å; E179-K183 WeakPolarHBondContact OE1-CE 3.48Å; E179-K183 IonicContact OE1-NZ 3.03Å
180E97Very high97.7Very high61 Ų6150.8 Ų50.829%0.28524%0.235SC..Hα-helixtrans-60.2-36.2173.4170.158-165.200111.8Q176 K183 R184Q176-E180 PolarHBondContact O-N 2.82Å; E180-K183 PolarHBondContact O-N 3.43Å; E180-R184 WeakPolarHBondContact O-CG 3.37Å; E180-R184 PolarHBondContact O-N 2.89Å; E180-R184 IonicContact OE1-CZ 3.97Å; E180-R184 IonicContact OE1-NE 2.73Å; E180-R184 PolarHBondContact OE1-NE 3.48Å; E180-R184 IonicContact OE1-NH2 3.63Å; E180-R184 PolarHBondContact OE1-NH2 3.26Å
181N97.5Very high97.7Very high0 Ų052.8 Ų52.80%025%0.249CC..Hα-helixtrans-64.9-40.7176.9176.773.5000112.2A50 F100 F103 K177 M178 E179 R184 I185A50-N181 PolarHBondContact O-ND2 3.07Å; F100-N181 HydrophobicContact CZ-CB 3.81Å; F103-N181 VanDerWaalsContact CB-OD1 3.32Å; F103-N181 WeakPolarHBondContact CB-OD1 3.21Å; F103-N181 PolarHBondContact N-OD1 3.48Å; K177-N181 VanDerWaalsContact O-CB 3.28Å; K177-N181 WeakPolarHBondContact O-CB 3.32Å; K177-N181 PolarHBondContact O-N 2.94Å; M178-N181 WeakPolarHBondContact O-CB 3.35Å; M178-N181 PolarHBondContact O-N 3.22Å; E179-N181 PolarHBondContact O-N 3.43Å; N181-R184 WeakPolarHBondContact O-CB 3.43Å; N181-R184 PolarHBondContact O-N 2.98Å; N181-I185 WeakPolarHBondContact O-CG1 3.27Å; N181-I185 PolarHBondContact O-N 3.25Å
182K96.9Very high97.7Very high55 Ų5552.5 Ų52.524%0.23925%0.247CC..Hα-helixtrans-60.1-45.4173-68.7-179.5-174.4-122.20111.8D29 M178 E179 R184 I185 E186D29-K182 IonicContact OD1-NZ 2.74Å; D29-K182 PolarHBondContact OD1-NZ 3.31Å; D29-K182 VanDerWaalsContact OD2-CE 3.23Å; D29-K182 WeakPolarHBondContact OD2-CE 3.43Å; D29-K182 IonicContact OD2-NZ 2.78Å; D29-K182 PolarHBondContact OD2-NZ 3.11Å; M178-K182 WeakPolarHBondContact O-CG 3.43Å; M178-K182 PolarHBondContact O-N 2.97Å; E179-K182 PolarHBondContact O-N 2.83Å; K182-R184 VanDerWaalsContact C-N 3.27Å; K182-R184 PolarHBondContact O-N 3.38Å; K182-I185 WeakPolarHBondContact O-CB 3.49Å; K182-I185 PolarHBondContact O-N 3.24Å; K182-I185 VanDerWaalsContact O-N 3.14Å; K182-E186 PolarHBondContact O-N 3.21Å
183K97.3Very high97.6Very high104 Ų10450 Ų5045%0.45223%0.233SC..Hα-helixtrans-59.4-37.2175.7-66.9173.4-1751720112.7E179 E180 R187E179-K183 PolarHBondContact O-N 3.09Å; E179-K183 VanDerWaalsContact O-N 3.14Å; E179-K183 VanDerWaalsContact OE1-CE 3.28Å; E179-K183 WeakPolarHBondContact OE1-CE 3.48Å; E179-K183 IonicContact OE1-NZ 3.03Å; E180-K183 PolarHBondContact O-N 3.43Å; K183-R187 WeakPolarHBondContact O-CB 3.47Å; K183-R187 PolarHBondContact O-N 3.31Å
184R97.2Very high97.5Very high47 Ų4753.8 Ų53.818%0.17725%0.248CC..Hα-helixtrans-67.8-41.4175.4-70.4179.3-177-168.91.6112.5F127 S146 E180 N181 K182 R187 F188F127-R184 HydrophobicContact CE1-CB 4.32Å; F127-R184 HydrophobicContact CE2-CB 3.97Å; F127-R184 WeakPolarHBondContact CE2-O 3.4Å; F127-R184 HydrophobicContact CZ-CB 3.57Å; S146-R184 PolarHBondContact OG-NH1 2.69Å; S146-R184 VanDerWaalsContact OG-NH1 3.13Å; E180-R184 WeakPolarHBondContact O-CG 3.37Å; E180-R184 PolarHBondContact O-N 2.89Å; E180-R184 IonicContact OE1-CZ 3.97Å; E180-R184 IonicContact OE1-NE 2.73Å; E180-R184 PolarHBondContact OE1-NE 3.48Å; E180-R184 IonicContact OE1-NH2 3.63Å; E180-R184 PolarHBondContact OE1-NH2 3.26Å; N181-R184 WeakPolarHBondContact O-CB 3.43Å; N181-R184 PolarHBondContact O-N 2.98Å; K182-R184 VanDerWaalsContact C-N 3.27Å; K182-R184 PolarHBondContact O-N 3.38Å; R184-R187 PolarHBondContact O-N 3.21Å; R184-F188 WeakPolarHBondContact O-CB 3.25Å; R184-F188 PolarHBondContact O-N 3.33Å
185I97.9Very high97.3Very high8 Ų854.1 Ų54.14%0.04125%0.251CS..Hα-helixtrans-59.1-49.4174.7-69.2161000109.8V30 A50 F103 N181 K182 R187 F188 Y189V30-I185 HydrophobicContact CG1-CD1 3.93Å; V30-I185 HydrophobicContact CG1-CG1 4.4Å; V30-I185 HydrophobicContact CG1-CG2 3.91Å; A50-I185 WeakPolarHBondContact O-CD1 3.46Å; F103-I185 HydrophobicContact CB-CD1 3.89Å; F103-I185 HydrophobicContact CB-CG1 3.78Å; F103-I185 HydrophobicContact CD1-CG1 4.05Å; F103-I185 HydrophobicContact CD2-CD1 3.95Å; F103-I185 HydrophobicContact CD2-CG1 3.83Å; F103-I185 HydrophobicContact CE2-CG1 4.42Å; F103-I185 HydrophobicContact CG-CD1 4.02Å; F103-I185 HydrophobicContact CG-CG1 3.61Å; N181-I185 WeakPolarHBondContact O-CG1 3.27Å; N181-I185 PolarHBondContact O-N 3.25Å; K182-I185 WeakPolarHBondContact O-CB 3.49Å; K182-I185 PolarHBondContact O-N 3.24Å; K182-I185 VanDerWaalsContact O-N 3.14Å; I185-R187 PolarHBondContact O-N 3.38Å; I185-F188 WeakPolarHBondContact O-CB 3.49Å; I185-F188 PolarHBondContact O-N 2.97Å; I185-Y189 PolarHBondContact O-N 2.99Å
186E98Very high97.1Very high119 Ų11952.8 Ų52.856%0.55624%0.243SC*.Hα-helixtrans-60.3-47.3179.8-173.4-174.118000111.5K182 F188 Y189 N190K182-E186 PolarHBondContact O-N 3.21Å; E186-F188 VanDerWaalsContact C-N 3.32Å; E186-F188 PolarHBondContact O-N 3Å; E186-Y189 PolarHBondContact O-N 3.47Å; E186-N190 PolarHBondContact O-N 3.14Å; E186-N190 PolarHBondContact O-ND2 3.36Å
187R98Very high96.8Very high101 Ų10151 Ų5138%0.38124%0.235SC..Hα-helixtrans-57.9-44.6175-179169.859.7-140.62.6111.8S125 K183 R184 I185 N190 C191S125-R187 PolarHBondContact O-NE 3.21Å; S125-R187 VanDerWaalsContact O-NE 3.11Å; S125-R187 PolarHBondContact O-NH2 3.17Å; K183-R187 WeakPolarHBondContact O-CB 3.47Å; K183-R187 PolarHBondContact O-N 3.31Å; R184-R187 PolarHBondContact O-N 3.21Å; I185-R187 PolarHBondContact O-N 3.38Å; R187-N190 PolarHBondContact O-N 2.86Å; R187-C191 WeakPolarHBondContact O-CB 3.36Å; R187-C191 PolarHBondContact O-N 2.86Å; R187-C191 PolarHBondContact O-SG 3.04Å
188F98.3Very high96.3Very high1 Ų157 Ų570%0.00426%0.256CS..Hα-helixtrans-60.5-45.1176.5174.2-104.4000112.4L33 F103 L105 V121 A122 S125 F127 V144 R184 I185 E186 C191 L192L33-F188 HydrophobicContact CD1-CD1 4.06Å; L33-F188 HydrophobicContact CD1-CE1 3.8Å; L33-F188 HydrophobicContact CD2-CD1 3.77Å; L33-F188 HydrophobicContact CD2-CE1 3.87Å; L33-F188 HydrophobicContact CG-CE1 4.44Å; F103-F188 HydrophobicContact CE1-CD1 4.48Å; L105-F188 HydrophobicContact CD2-CE1 4.06Å; V121-F188 HydrophobicContact CB-CE2 4.34Å; V121-F188 HydrophobicContact CG1-CD2 3.71Å; V121-F188 HydrophobicContact CG1-CE2 3.76Å; A122-F188 HydrophobicContact CB-CD2 4.27Å; A122-F188 HydrophobicContact CB-CE2 3.86Å; S125-F188 VanDerWaalsContact OG-CA 3.24Å; S125-F188 WeakPolarHBondContact OG-CA 3.38Å; F127-F188 HydrophobicContact CD2-CB 4.3Å; F127-F188 HydrophobicContact CD2-CD2 4.42Å; F127-F188 HydrophobicContact CE2-CB 3.75Å; F127-F188 HydrophobicContact CE2-CG 4.26Å; V144-F188 HydrophobicContact CG2-CE2 4.35Å; V144-F188 HydrophobicContact CG2-CZ 4.02Å; R184-F188 WeakPolarHBondContact O-CB 3.25Å; R184-F188 PolarHBondContact O-N 3.33Å; I185-F188 WeakPolarHBondContact O-CB 3.49Å; I185-F188 PolarHBondContact O-N 2.97Å; E186-F188 VanDerWaalsContact C-N 3.32Å; E186-F188 PolarHBondContact O-N 3Å; F188-C191 PolarHBondContact O-N 3.49Å; F188-L192 HydrophobicContact CE1-CD2 4.46Å; F188-L192 WeakPolarHBondContact O-CB 3.39Å; F188-L192 PolarHBondContact O-N 3.25Å
189Y98.2Very high95.6Very high49 Ų4959.8 Ų59.819%0.19227%0.27CS..Hα-helixtrans-61.6-45.5177.9-176.8-128.4000112.1L33 F36 I185 E186 L192 H193L33-Y189 HydrophobicContact CB-CD2 3.92Å; L33-Y189 HydrophobicContact CB-CE2 4.34Å; L33-Y189 HydrophobicContact CD1-CD2 3.68Å; L33-Y189 HydrophobicContact CD1-CE2 4.45Å; L33-Y189 HydrophobicContact CG-CD2 4.4Å; F36-Y189 HydrophobicContact CB-CE2 3.9Å; F36-Y189 HydrophobicContact CD1-CE2 4.2Å; F36-Y189 HydrophobicContact CG-CE2 4.08Å; I185-Y189 PolarHBondContact O-N 2.99Å; E186-Y189 PolarHBondContact O-N 3.47Å; Y189-L192 WeakPolarHBondContact O-CB 3.31Å; Y189-L192 PolarHBondContact O-N 3.38Å; Y189-H193 AromaticContact CD2-CD2 3.85Å; Y189-H193 AromaticContact CD2-NE2 3.95Å; Y189-H193 AromaticContact CE1-NE2 3.75Å; Y189-H193 AromaticContact CE2-CD2 3.54Å; Y189-H193 AromaticContact CE2-NE2 3.16Å; Y189-H193 WeakPolarHBondContact CE2-NE2 3.28Å; Y189-H193 AromaticContact CZ-CD2 3.65Å; Y189-H193 AromaticContact CZ-NE2 3.05Å; Y189-H193 PolarHBondContact O-CD2 2.93Å; Y189-H193 PolarHBondContact O-N 2.89Å; Y189-H193 PolarHBondContact OH-NE2 3.47Å
190N97.8Very high94.7Very high71 Ų7158.5 Ų58.538%0.3827%0.268SS..Hα-helixtrans-65.7-46.4178.4-68-22.5000112.2E186 R187 L192 H193 H194E186-N190 PolarHBondContact O-N 3.14Å; E186-N190 PolarHBondContact O-ND2 3.36Å; R187-N190 PolarHBondContact O-N 2.86Å; N190-L192 PolarHBondContact O-N 2.96Å; N190-H193 PolarHBondContact O-N 3.31Å; N190-H194 PolarHBondContact O-CD2 3.39Å; N190-H194 PolarHBondContact O-N 3.24Å
191C97.6Very high93.8Very high46 Ų4661.1 Ų61.131%0.31128%0.282SS..Hα-helixtrans-62.9-34.5176.5-70.50000112V121 R187 F188 A195V121-C191 HydrophobicContact CG1-CB 3.74Å; R187-C191 WeakPolarHBondContact O-CB 3.36Å; R187-C191 PolarHBondContact O-N 2.86Å; R187-C191 PolarHBondContact O-SG 3.04Å; F188-C191 PolarHBondContact O-N 3.49Å; C191-A195 WeakPolarHBondContact O-CB 3.32Å; C191-A195 PolarHBondContact O-N 3.28Å
192L97.3Very high92.7Very high0 Ų065.3 Ų65.30%031%0.307CS..Hα-helixtrans-65.1-47.8176.917761.8000111.8L33 F36 L37 L118 V121 F188 Y189 N190 H194 A195 L196L33-L192 HydrophobicContact CD1-CD2 3.69Å; F36-L192 HydrophobicContact CD1-CD2 3.96Å; F36-L192 HydrophobicContact CD1-CG 4.45Å; F36-L192 HydrophobicContact CE1-CD2 3.97Å; F36-L192 HydrophobicContact CE1-CG 3.96Å; L37-L192 HydrophobicContact CD1-CD2 4.49Å; L37-L192 HydrophobicContact CD2-CD2 3.78Å; L37-L192 HydrophobicContact CG-CD2 4.04Å; L118-L192 HydrophobicContact CD2-CD1 3.15Å; L118-L192 HydrophobicContact CD2-CD2 4.47Å; L118-L192 HydrophobicContact CD2-CG 4.42Å; V121-L192 HydrophobicContact CG1-CB 3.99Å; F188-L192 HydrophobicContact CE1-CD2 4.46Å; F188-L192 WeakPolarHBondContact O-CB 3.39Å; F188-L192 PolarHBondContact O-N 3.25Å; Y189-L192 WeakPolarHBondContact O-CB 3.31Å; Y189-L192 PolarHBondContact O-N 3.38Å; N190-L192 PolarHBondContact O-N 2.96Å; L192-H194 PolarHBondContact O-N 2.78Å; L192-A195 PolarHBondContact O-N 3.11Å; L192-L196 HydrophobicContact CD1-CD1 3.99Å; L192-L196 HydrophobicContact CD1-CG 4.01Å; L192-L196 HydrophobicContact CG-CD1 4.35Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 2.83Å
193H95.5Very high91.4Very high45 Ų4568.6 Ų68.621%0.20833%0.327CS..Hα-helixtrans-53.2-53.1175.4-90.6-75.7000111.3F36 Y189 N190 A195 L196 E197F36-H193 AromaticContact CD2-CE1 3.37Å; F36-H193 WeakPolarHBondContact CD2-CE1 3.46Å; F36-H193 AromaticContact CD2-NE2 3.87Å; F36-H193 AromaticContact CE2-CE1 3.05Å; F36-H193 WeakPolarHBondContact CE2-CE1 3.42Å; F36-H193 AromaticContact CE2-ND1 3.29Å; F36-H193 VanDerWaalsContact CE2-ND1 3.29Å; F36-H193 WeakPolarHBondContact CE2-ND1 3.19Å; F36-H193 AromaticContact CE2-NE2 3.88Å; F36-H193 AromaticContact CZ-CE1 3.48Å; F36-H193 VanDerWaalsContact CZ-CE1 3.48Å; F36-H193 WeakPolarHBondContact CZ-CE1 3.44Å; F36-H193 AromaticContact CZ-CG 3.93Å; F36-H193 AromaticContact CZ-ND1 3.3Å; F36-H193 VanDerWaalsContact CZ-ND1 3.3Å; F36-H193 WeakPolarHBondContact CZ-ND1 3.43Å; Y189-H193 AromaticContact CD2-CD2 3.85Å; Y189-H193 AromaticContact CD2-NE2 3.95Å; Y189-H193 AromaticContact CE1-NE2 3.75Å; Y189-H193 AromaticContact CE2-CD2 3.54Å; Y189-H193 AromaticContact CE2-NE2 3.16Å; Y189-H193 WeakPolarHBondContact CE2-NE2 3.28Å; Y189-H193 AromaticContact CZ-CD2 3.65Å; Y189-H193 AromaticContact CZ-NE2 3.05Å; Y189-H193 PolarHBondContact O-CD2 2.93Å; Y189-H193 PolarHBondContact O-N 2.89Å; Y189-H193 PolarHBondContact OH-NE2 3.47Å; N190-H193 PolarHBondContact O-N 3.31Å; H193-A195 VanDerWaalsContact C-N 3.31Å; H193-A195 PolarHBondContact O-N 3.44Å; H193-L196 PolarHBondContact O-N 3.32Å; H193-E197 WeakPolarHBondContact O-CG 3.44Å; H193-E197 PolarHBondContact O-N 3.45Å
194H95.2Very high89.8Confident111 Ų11169.3 Ų69.351%0.51434%0.336SS..Hα-helixtrans-63.6-32.8179.3-66.5-46.4000114N190 L192 E197 R198N190-H194 PolarHBondContact O-CD2 3.39Å; N190-H194 PolarHBondContact O-N 3.24Å; L192-H194 PolarHBondContact O-N 2.78Å; H194-E197 IonicContact ND1-OE2 2.68Å; H194-R198 WeakPolarHBondContact O-CB 3.35Å; H194-R198 VanDerWaalsContact O-CG 3.24Å; H194-R198 WeakPolarHBondContact O-CG 3.43Å; H194-R198 PolarHBondContact O-N 2.94Å; H194-R198 PolarHBondContact O-NE 2.88Å; H194-R198 VanDerWaalsContact O-NE 3.12Å
195A95.3Very high87.9Confident7 Ų774.2 Ų74.26%0.05836%0.36CS..Hα-helixtrans-67-47.4176.500000111.2I117 V121 C191 L192 H193 R198 E199I117-A195 HydrophobicContact CG2-CB 4Å; V121-A195 HydrophobicContact CG2-CB 3.53Å; C191-A195 WeakPolarHBondContact O-CB 3.32Å; C191-A195 PolarHBondContact O-N 3.28Å; L192-A195 PolarHBondContact O-N 3.11Å; H193-A195 VanDerWaalsContact C-N 3.31Å; H193-A195 PolarHBondContact O-N 3.44Å; A195-R198 PolarHBondContact O-N 3.42Å; A195-E199 PolarHBondContact O-N 3.49Å
196L93.1Very high85.6Confident9 Ų979 Ų795%0.04739%0.392CS..Hα-helixtrans-71.7-36-177.9-62-174.6000112.5F36 R40 F43 I117 L192 H193 R198 E199 T200F36-L196 HydrophobicContact CE1-CD1 3.79Å; F36-L196 HydrophobicContact CZ-CD1 4.06Å; R40-L196 HydrophobicContact CG-CD1 4.21Å; F43-L196 HydrophobicContact CE2-CD1 4.07Å; F43-L196 HydrophobicContact CE2-CD2 3.93Å; F43-L196 HydrophobicContact CZ-CD2 4.29Å; I117-L196 HydrophobicContact CG2-CD2 4.3Å; L192-L196 HydrophobicContact CD1-CD1 3.99Å; L192-L196 HydrophobicContact CD1-CG 4.01Å; L192-L196 HydrophobicContact CG-CD1 4.35Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 2.83Å; H193-L196 PolarHBondContact O-N 3.32Å; L196-R198 PolarHBondContact O-N 2.99Å; L196-E199 PolarHBondContact O-N 3.25Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.43Å
197E90.9Very high83.2Confident101 Ų10182.4 Ų82.447%0.47241%0.405SS..Hα-helixtrans-60.4-45.2173.7-74.3177161.800112H193 H194 E199 T200 M201H193-E197 WeakPolarHBondContact O-CG 3.44Å; H193-E197 PolarHBondContact O-N 3.45Å; H194-E197 IonicContact ND1-OE2 2.68Å; E197-E199 VanDerWaalsContact C-N 3.29Å; E197-E199 PolarHBondContact O-N 2.85Å; E197-T200 PolarHBondContact O-N 3.42Å; E197-T200 PolarHBondContact O-OG1 3.38Å; E197-M201 PolarHBondContact O-N 3.4Å
198R88.4Confident80.8Confident170 Ų17085.1 Ų85.164%0.64243%0.425SS*.Hα-helixtrans-61.9-35.9178.4-74.9-177-61.1167.43.2112.9H194 A195 L196 M201 T202H194-R198 WeakPolarHBondContact O-CB 3.35Å; H194-R198 VanDerWaalsContact O-CG 3.24Å; H194-R198 WeakPolarHBondContact O-CG 3.43Å; H194-R198 PolarHBondContact O-N 2.94Å; H194-R198 PolarHBondContact O-NE 2.88Å; H194-R198 VanDerWaalsContact O-NE 3.12Å; A195-R198 PolarHBondContact O-N 3.42Å; L196-R198 PolarHBondContact O-N 2.99Å; R198-M201 PolarHBondContact O-N 3.16Å; R198-T202 WeakPolarHBondContact O-CB 3.48Å; R198-T202 PolarHBondContact O-N 3.33Å; R198-T202 PolarHBondContact O-OG1 3.3Å
199E81.9Confident78Confident61 Ų6194.5 Ų94.529%0.28547%0.466SS..Hα-helixtrans-67.1-42.2175.4-72.7-151.1142.100112.5I117 A195 L196 E197 M201 T202 N203I117-E199 WeakPolarHBondContact CD1-OE1 3.34Å; I117-E199 WeakPolarHBondContact CD1-OE2 3.41Å; I117-E199 WeakPolarHBondContact CG1-OE1 3.36Å; A195-E199 PolarHBondContact O-N 3.49Å; L196-E199 PolarHBondContact O-N 3.25Å; E197-E199 VanDerWaalsContact C-N 3.29Å; E197-E199 PolarHBondContact O-N 2.85Å; E199-M201 VanDerWaalsContact C-N 3.27Å; E199-M201 PolarHBondContact O-N 2.92Å; E199-T202 PolarHBondContact O-N 2.81Å; E199-N203 WeakPolarHBondContact O-CB 2.93Å; E199-N203 PolarHBondContact O-N 3.01Å; E199-N203 PolarHBondContact O-ND2 3.02Å
200T79.6Confident75.1Confident63 Ų6399.6 Ų99.639%0.38749%0.492SS..Hα-helixtrans-59.2-41176.864.30000111.8L196 E197 N203 L204L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.43Å; E197-T200 PolarHBondContact O-N 3.42Å; E197-T200 PolarHBondContact O-OG1 3.38Å; T200-N203 PolarHBondContact O-N 3.47Å; T200-L204 WeakPolarHBondContact O-CD1 2.9Å; T200-L204 WeakPolarHBondContact O-CG 3.43Å; T200-L204 PolarHBondContact O-N 3.14Å; T200-L204 VanDerWaalsContact O-N 3.15Å
201M78.1Confident72.5Confident116 Ų116105.8 Ų105.857%0.57152%0.515SS*.Hα-helixtrans-69.1-38.7177.4-67.1-60.9110.200112.8E197 R198 E199 N203 L204 H205E197-M201 PolarHBondContact O-N 3.4Å; R198-M201 PolarHBondContact O-N 3.16Å; E199-M201 VanDerWaalsContact C-N 3.27Å; E199-M201 PolarHBondContact O-N 2.92Å; M201-N203 VanDerWaalsContact C-N 3.32Å; M201-N203 PolarHBondContact O-N 2.91Å; M201-L204 HydrophobicContact CE-CD1 3.75Å; M201-L204 PolarHBondContact O-N 3.39Å; M201-H205 PolarHBondContact O-N 3.4Å
202T75.1Confident69.4Low88 Ų88110.1 Ų110.154%0.5454%0.535SS..Hα-helixtrans-67.4-34.3178.2-540000111.7R198 E199 H205R198-T202 WeakPolarHBondContact O-CB 3.48Å; R198-T202 PolarHBondContact O-N 3.33Å; R198-T202 PolarHBondContact O-OG1 3.3Å; E199-T202 PolarHBondContact O-N 2.81Å; T202-H205 CarbonylContact O-C 3.53Å; T202-H205 VanDerWaalsContact O-O 3.14Å
203N68.1Low66.6Low123 Ų123118.1 Ų118.166%0.65858%0.578SS**Hα-helixtrans-75.3-26.6176.4-70.7-30.8000113E199 T200 M201E199-N203 WeakPolarHBondContact O-CB 2.93Å; E199-N203 PolarHBondContact O-N 3.01Å; E199-N203 PolarHBondContact O-ND2 3.02Å; T200-N203 PolarHBondContact O-N 3.47Å; M201-N203 VanDerWaalsContact C-N 3.32Å; M201-N203 PolarHBondContact O-N 2.91Å
204L64.1Low63.9Low119 Ų119120.6 Ų120.662%0.62360%0.6SS**Hα-helixtrans-79.8-23.2175.6-75.4165000113.4T200 M201T200-L204 WeakPolarHBondContact O-CD1 2.9Å; T200-L204 WeakPolarHBondContact O-CG 3.43Å; T200-L204 PolarHBondContact O-N 3.14Å; T200-L204 VanDerWaalsContact O-N 3.15Å; M201-L204 HydrophobicContact CE-CD1 3.75Å; M201-L204 PolarHBondContact O-N 3.39Å
205H56.8Low61.3Low151 Ų151120.3 Ų120.370%0.69961%0.611SS**SBendtrans-125.285.5173.9-81.650.2000109.8M201 T202 K207M201-H205 PolarHBondContact O-N 3.4Å; T202-H205 CarbonylContact O-C 3.53Å; T202-H205 VanDerWaalsContact O-O 3.14Å; H205-K207 PolarHBondContact O-N 3.14Å
206P51.1Low58.3Low107 Ų107129.7 Ų129.770%0.69565%0.646SS**  trans-59.5116.1172.5-6.817.5000108I208P206-I208 PolarHBondContact O-N 2.73Å
207K45.9Very low55.6Low192 Ų192135.9 Ų135.984%0.83568%0.684SS**  trans-55112173.6-75.8-175.7176.6179.70108.6H205 K209H205-K207 PolarHBondContact O-N 3.14Å; K207-K209 PolarHBondContact O-N 2.97Å
208I48.4Very low53.1Low157 Ų157139.6 Ų139.681%0.80570%0.701SS**  trans-56.9113.9162.5-62.7172.8000105.5P206 E210P206-I208 PolarHBondContact O-N 2.73Å; I208-E210 VanDerWaalsContact C-N 3.31Å; I208-E210 PolarHBondContact O-N 3.17Å
209K40.5Very low50.5Low198 Ų198141.3 Ų141.386%0.86171%0.714SS**  trans-68.193.3172-80.5-176.4176.6177.90108K207 K211K207-K209 PolarHBondContact O-N 2.97Å; K209-K211 PolarHBondContact O-N 3.2Å
210E37.5Very low48.3Very low157 Ų157148.1 Ų148.173%0.73474%0.742SS**  trans-68.1113.6156.8-78.2-171.2161.900108.3I208 N212I208-E210 VanDerWaalsContact C-N 3.31Å; I208-E210 PolarHBondContact O-N 3.17Å; E210-N212 PolarHBondContact O-N 3.32Å
211K41.3Very low46.1Very low200 Ų200154 Ų15487%0.8777%0.765SS**  trans-6795.5164.6-83-179.9173.71770107.9K209K209-K211 PolarHBondContact O-N 3.2Å
212N33.4Very low43.9Very low137 Ų137160 Ų16073%0.73378%0.781SS**  trans-110101.1159.8-80.5-17.7000109.1E210 S214E210-N212 PolarHBondContact O-N 3.32Å; N212-S214 PolarHBondContact O-N 3.49Å
213N39Very low41.9Very low169 Ų169162.9 Ų162.990%0.90479%0.793SS**  trans-61.3117.1158.8-78-16.7000107.9
214S37.5Very low40.4Very low96 Ų96162.9 Ų162.967%0.67180%0.8SS**  trans-136.5101.7156.172.40000109.4N212 Y216N212-S214 PolarHBondContact O-N 3.49Å; S214-Y216 PolarHBondContact O-N 3.24Å
215S42.1Very low38.9Very low105 Ų105166.3 Ų166.373%0.73481%0.813SS**  trans-56.6116.8164.541.80000111.5
216Y30.6Very low37.7Very low204 Ų204169 Ų16980%0.882%0.823SS**  trans-144.4103.5153.5-73.7-72.3000110.5S214S214-Y216 PolarHBondContact O-N 3.24Å
217T36.2Very low36.8Very low139 Ų139169 Ų16985%0.85383%0.832SS**  trans-71.7116.3166.58.20000109.2
218H38.6Very low35.9Very low180 Ų180167.9 Ų167.983%0.83383%0.829SS**  trans-109.399.6158-89.4-75.1000109.8K220H218-K220 PolarHBondContact O-N 3.05Å
219K34.3Very low35Very low206 Ų206167.2 Ų167.290%0.89683%0.833SS**  trans-51.7123.5160.4-91.8175.4169.7173.90109
220K35.1Very low34.4Very low204 Ų204164.7 Ų164.789%0.88782%0.824SS**  trans-106.1106.1159.3-149.5172.5-174.3177.20108.2H218H218-K220 PolarHBondContact O-N 3.05Å
221Q33.7Very low33.9Very low185 Ų185163.6 Ų163.686%0.86483%0.832SS**  trans-58.3127.1174.4-132.2164.33.700109.1
222R33.3Very low33.3Very low243 Ų243160.8 Ų160.892%0.91783%0.825SS**  trans-124.5109.3170.2-141.5176.6-173.5-179.80.6106.9
223N32.4Very low32.9Very low148 Ų148160.3 Ų160.379%0.79183%0.827SS**  trans-63.4134.1172-78.5-11000109.5
224P36.7Very low32.4Very low124 Ų124161.9 Ų161.981%0.80583%0.826SS**  trans-99.8109169.432.9-23000110.2
225E32.3Very low31.9Very low190 Ų190165.8 Ų165.889%0.88883%0.833SS**  trans-95.6106.2156.9-80.9-172155.900109.3
226K32.8Very low31.2Very low207 Ų207168.7 Ų168.790%0.984%0.841SS**  trans28.1108.2144.8-59.8177.8-178176.90118.2
227A31.2Very low30.9Very low108 Ų108165.9 Ų165.989%0.89384%0.84SS**  trans-141.4123.5137.300000108.5
228H27.8Very low30.6Very low168 Ų168168.4 Ų168.478%0.77884%0.839SS**  trans-105.7110.5-170.7-17672000107.5
229V29.2Very low30Very low144 Ų144167.5 Ų167.587%0.87384%0.835SS**  trans-147.9123150.8-174.70000109.2
230Q28.3Very low29.6Very low145 Ų145163.8 Ų163.868%0.67882%0.824SS**  trans-70.6138-179.6-141.7163.82.600110.6
231C25.1Very low29.2Very low134 Ų134161.8 Ų161.891%0.90582%0.818SS**  trans-135.9119.8156.3-88.30000109.1
232I29.5Very low28.9Very low141 Ų141160.5 Ų160.572%0.72382%0.817SS**  trans-82.7132.6-176.5-70.1166.9000108.5
233T26Very low28.6Very low126 Ų126156.4 Ų156.477%0.77381%0.813SS**  trans-55.6138.4164.835.30000112.7
234K28.2Very low28.4Very low203 Ų203157.2 Ų157.288%0.88382%0.818SS**  trans-147.8124.3136.1-72.2-159.4177.3179.50111.1
235E26.2Very low28Very low177 Ų177159.1 Ų159.183%0.82782%0.821SS**  trans-65.6155.9162.8-67164.8146.800110.7
236N26.9Very low27.8Very low166 Ų166157.7 Ų157.789%0.88882%0.82SS**  -167.9138.7129.4-94.9-19.4000111.9
237D25.9Very low27.8Very low146 Ų146155.8 Ų155.878%0.78182%0.819SS**  trans-74.8174-173-71-49.1000116.6
238K28.5Very low27.8Very low192 Ų192154 Ų15484%0.83581%0.81SS**  trans98.8144.8154-62.4-174.3178.3-172.80116.7
239E25.9Very low27.9Very low160 Ų160153.6 Ų153.675%0.74881%0.812SS**  cis-175.3155.2-27.8-135.9178-168.100105
240L27.1Very low27.9Very low129 Ų129154 Ų15468%0.67581%0.81SS**  trans82.6108.2153.3-62.9163.2000122.3
241E26.8Very low27.9Very low161 Ų161153 Ų15375%0.75281%0.808SS**  47.7122.1124-63.4-178.3173.600121.9
242N26.8Very low28.2Very low159 Ų159152.9 Ų152.985%0.8580%0.803SS**  -177.6146.7106.3-89.8-51.6000112.1
243D26.5Very low28.4Very low156 Ų156152.6 Ų152.683%0.83480%0.802SS**  trans-60.4143.9171.3-77.7-42.5000112.3
244D28.3Very low28.9Very low165 Ų165156 Ų15688%0.88281%0.806SS**  trans-167130.7132.6-107.4-21.9000111.6
245D28.6Very low29.3Very low165 Ų165152 Ų15288%0.88280%0.801SS**  trans-65.3124.9166.3-82.2-46.1000110
246D29Very low29.7Very low159 Ų159153 Ų15385%0.8581%0.805SS**  trans-154.4137.7145.5-15814.5000113.6
247L32.4Very low30.4Very low168 Ų168148.2 Ų148.288%0.8880%0.795SS**  trans-79.8121.1177.5-76.6148.5000109.8
248G30.7Very low30.9Very low70 Ų70156.1 Ų156.172%0.72282%0.816SS**  trans150.697.115800000114.2
249I29.6Very low31Very low160 Ų160154.4 Ų154.482%0.82182%0.815SS**  trans-12394.3163.8-55.8179.4000108.5I251I249-I251 HydrophobicContact CG2-CB 4.19Å; I249-I251 HydrophobicContact CG2-CD1 4.48Å; I249-I251 HydrophobicContact CG2-CG1 4.28Å
250N28.6Very low31.3Very low153 Ų153154.1 Ų154.182%0.81882%0.819SS**  trans-101.8100.2156-167.310.7000105.4
251I30Very low31.5Very low124 Ų124155.4 Ų155.464%0.63683%0.827SS**  trans-138.8106.7174.1-74.3-177.6000110I249 I253I249-I251 HydrophobicContact CG2-CB 4.19Å; I249-I251 HydrophobicContact CG2-CD1 4.48Å; I249-I251 HydrophobicContact CG2-CG1 4.28Å; I251-I253 HydrophobicContact CG2-CD1 3.53Å; I251-I253 HydrophobicContact CG2-CG1 3.47Å; I251-I253 VanDerWaalsContact CG2-CG1 3.47Å
252T30.9Very low31.8Very low131 Ų131155.1 Ų155.180%0.80483%0.831SS**  trans-67.9121.3161.3-40.80000109.4
253I33.4Very low32.1Very low135 Ų135154.9 Ų154.969%0.69283%0.83SS**  trans-144.796.3164.6-54.5175.1000109.3I251I251-I253 HydrophobicContact CG2-CD1 3.53Å; I251-I253 HydrophobicContact CG2-CG1 3.47Å; I251-I253 VanDerWaalsContact CG2-CG1 3.47Å
254F36.1Very low32.5Very low198 Ų198154.8 Ų154.887%0.86883%0.83SS**  trans-120.7131.1144.9-80.1-76.7000106.5
255P37.3Very low32.8Very low118 Ų118154.1 Ų154.177%0.76683%0.826SS**  trans-80.7134.8176.429.6-28.5000110.9
256E35.3Very low33.1Very low197 Ų197153.2 Ų153.292%0.92182%0.822SS**  trans-70.7139.2168.7-70.6177.5151.400111.1
257G40.6Very low33.4Very low66 Ų66152.8 Ų152.868%0.6882%0.82SS**  trans90.297.1150.700000117.4
258Y36.2Very low33.5Very low313 Ų313151.4 Ų151.4100%1.22781%0.814SS**  -160.90118.7-98.8-73.6000109.6

Retrieved 258 of 258 residues in 667.5 ms (Link to these results)

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