A0A087X533_POEFO 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 A0A087X533, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 266 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
1M52.1Low83.9Confident216 Ų216100.5 Ų100.5100%1.06448%0.481SS*.  0-40.90-76.2174.7-169.200112.1R3 T4M1-R3 PolarHBondContact O-N 3.46Å; M1-T4 WeakPolarHBondContact O-CB 3.46Å; M1-T4 PolarHBondContact O-N 3.38Å; M1-T4 VanDerWaalsContact O-N 3.14Å
2D59.3Low84.5Confident96 Ų9694.8 Ų94.851%0.51346%0.459SS..Hα-helixtrans-61.9-44.6-172.5-134.330.2000115.6T4 F5 S6 R108D2-T4 PolarHBondContact O-N 3.11Å; D2-F5 PolarHBondContact O-N 3.33Å; D2-S6 PolarHBondContact O-OG 2.99Å; D2-R108 IonicContact OD1-CZ 3.06Å; D2-R108 IonicContact OD1-NE 2.89Å; D2-R108 PolarHBondContact OD1-NE 2.87Å; D2-R108 IonicContact OD1-NH1 2.7Å; D2-R108 PolarHBondContact OD1-NH1 2.8Å; D2-R108 IonicContact OD2-CZ 3.88Å; D2-R108 IonicContact OD2-NH1 2.86Å; D2-R108 PolarHBondContact OD2-NH1 2.83Å
3R71.2Confident85Confident229 Ų22993.1 Ų93.186%0.86445%0.453SS*.Hα-helixtrans-65.2-21.7176.7-67.4-173.1-178.8-1700.4113.8M1 R7M1-R3 PolarHBondContact O-N 3.46Å; R3-R7 WeakPolarHBondContact O-CB 3.47Å; R3-R7 PolarHBondContact O-N 3.38Å
4T88.2Confident85.4Confident70 Ų7095.8 Ų95.843%0.42947%0.471SS..Hα-helixtrans-74.3-44.5-177.4-51.50000110.9M1 D2 R7 I8M1-T4 WeakPolarHBondContact O-CB 3.46Å; M1-T4 PolarHBondContact O-N 3.38Å; M1-T4 VanDerWaalsContact O-N 3.14Å; D2-T4 PolarHBondContact O-N 3.11Å; T4-R7 PolarHBondContact O-N 3.19Å; T4-I8 HydrophobicContact CG2-CD1 4Å; T4-I8 VanDerWaalsContact O-CG1 3.27Å; T4-I8 WeakPolarHBondContact O-CG1 3.19Å; T4-I8 PolarHBondContact O-N 3.37Å
5F92.9Very high85.5Confident18 Ų18101.3 Ų101.38%0.07949%0.485CS..Hα-helixtrans-64.5-48.8179-176.3-91.1000111.4D2 R7 I8 K9 E39 F42 Q106 C107 R108D2-F5 PolarHBondContact O-N 3.33Å; F5-R7 VanDerWaalsContact C-N 3.28Å; F5-R7 PolarHBondContact O-N 3.29Å; F5-I8 PolarHBondContact O-N 3.42Å; F5-I8 VanDerWaalsContact O-N 3.11Å; F5-K9 HydrophobicContact CE1-CD 4.41Å; F5-K9 WeakPolarHBondContact O-CB 3.35Å; F5-K9 PolarHBondContact O-N 2.96Å; F5-E39 WeakPolarHBondContact CE1-O 3.49Å; F5-F42 HydrophobicContact CD2-CE1 4.32Å; F5-F42 HydrophobicContact CE1-CD1 4.04Å; F5-F42 HydrophobicContact CE1-CE1 4.35Å; F5-F42 HydrophobicContact CE2-CD1 4.02Å; F5-F42 AromaticContact CE2-CE1 3.66Å; F5-F42 HydrophobicContact CE2-CE1 3.66Å; F5-F42 AromaticContact CZ-CD1 3.53Å; F5-F42 HydrophobicContact CZ-CD1 3.53Å; F5-F42 AromaticContact CZ-CE1 3.68Å; F5-F42 HydrophobicContact CZ-CE1 3.68Å; F5-Q106 HydrophobicContact CE2-CG 4.16Å; F5-C107 VanDerWaalsContact CE2-C 3.43Å; F5-C107 WeakPolarHBondContact CE2-O 3.43Å; F5-R108 HydrophobicContact CB-CG 4.33Å; F5-R108 HydrophobicContact CD1-CB 3.99Å; F5-R108 HydrophobicContact CD1-CG 3.98Å; F5-R108 HydrophobicContact CD2-CB 4.13Å; F5-R108 HydrophobicContact CD2-CG 4.35Å; F5-R108 HydrophobicContact CE1-CB 3.89Å; F5-R108 HydrophobicContact CE1-CG 4.38Å; F5-R108 VanDerWaalsContact CE2-CA 3.45Å; F5-R108 HydrophobicContact CE2-CB 4.01Å; F5-R108 HydrophobicContact CG-CB 4.11Å; F5-R108 HydrophobicContact CG-CG 3.96Å; F5-R108 HydrophobicContact CZ-CB 3.89Å
6S93.1Very high85.4Confident53 Ų53104.6 Ų104.637%0.37150%0.504SS..Hα-helixtrans-58.1-41.1178.5-51.40000111.8D2 K9 T10D2-S6 PolarHBondContact O-OG 2.99Å; S6-K9 PolarHBondContact O-N 3.26Å; S6-T10 PolarHBondContact O-N 3.25Å; S6-T10 PolarHBondContact O-OG1 3.11Å; S6-T10 VanDerWaalsContact O-OG1 3.08Å
7R92.6Very high85.2Confident157 Ų157102.2 Ų102.259%0.59250%0.495SS*.Hα-helixtrans-62.8-45.6175.3-175.217869.4172.72.3112.3R3 T4 F5 K9 T10 Q11R3-R7 WeakPolarHBondContact O-CB 3.47Å; R3-R7 PolarHBondContact O-N 3.38Å; T4-R7 PolarHBondContact O-N 3.19Å; F5-R7 VanDerWaalsContact C-N 3.28Å; F5-R7 PolarHBondContact O-N 3.29Å; R7-K9 VanDerWaalsContact C-N 3.34Å; R7-T10 PolarHBondContact O-N 3.38Å; R7-Q11 WeakPolarHBondContact O-CG 3.33Å; R7-Q11 PolarHBondContact O-N 3.17Å
8I92.1Very high85.1Confident54 Ų54104.4 Ų104.428%0.27751%0.509SS..Hα-helixtrans-61.8-46.3177.7-67.2164.9000109.8T4 F5 T10 Q11 S12 F42T4-I8 HydrophobicContact CG2-CD1 4Å; T4-I8 VanDerWaalsContact O-CG1 3.27Å; T4-I8 WeakPolarHBondContact O-CG1 3.19Å; T4-I8 PolarHBondContact O-N 3.37Å; F5-I8 PolarHBondContact O-N 3.42Å; F5-I8 VanDerWaalsContact O-N 3.11Å; I8-T10 PolarHBondContact O-N 2.77Å; I8-Q11 PolarHBondContact O-N 2.97Å; I8-S12 WeakPolarHBondContact O-CB 3.23Å; I8-S12 PolarHBondContact O-N 2.78Å; I8-S12 PolarHBondContact O-OG 2.94Å; I8-F42 HydrophobicContact CG2-CE1 4.19Å; I8-F42 HydrophobicContact CG2-CE2 4.5Å; I8-F42 HydrophobicContact CG2-CZ 3.63Å
9K95.3Very high85Confident24 Ų24101 Ų10110%0.10450%0.497CS..Hα-helixtrans-54.7-51.4176.2173.2166.6-177.9175.60111.7F5 S6 R7 Q11 S12 L13 N36 C38 F41 F42F5-K9 HydrophobicContact CE1-CD 4.41Å; F5-K9 WeakPolarHBondContact O-CB 3.35Å; F5-K9 PolarHBondContact O-N 2.96Å; S6-K9 PolarHBondContact O-N 3.26Å; R7-K9 VanDerWaalsContact C-N 3.34Å; K9-Q11 VanDerWaalsContact C-N 3.32Å; K9-Q11 PolarHBondContact O-N 3.32Å; K9-S12 PolarHBondContact O-N 3.29Å; K9-L13 HydrophobicContact CD-CD1 4.49Å; K9-L13 HydrophobicContact CG-CD1 3.85Å; K9-L13 HydrophobicContact CG-CG 4.32Å; K9-L13 WeakPolarHBondContact O-CG 3.42Å; K9-L13 PolarHBondContact O-N 3.5Å; K9-N36 VanDerWaalsContact CE-O 3.24Å; K9-N36 WeakPolarHBondContact CE-O 3.49Å; K9-N36 PolarHBondContact NZ-O 3.49Å; K9-C38 PolarHBondContact NZ-O 2.89Å; K9-F41 WeakPolarHBondContact CD-O 3.45Å; K9-F41 WeakPolarHBondContact CE-O 3.27Å; K9-F41 PolarHBondContact NZ-O 2.88Å; K9-F42 HydrophobicContact CB-CB 4.37Å; K9-F42 HydrophobicContact CB-CD1 3.64Å; K9-F42 HydrophobicContact CB-CE1 4.11Å; K9-F42 HydrophobicContact CB-CG 4.11Å; K9-F42 HydrophobicContact CD-CB 3.96Å; K9-F42 HydrophobicContact CD-CD1 4.29Å; K9-F42 HydrophobicContact CG-CB 3.78Å; K9-F42 HydrophobicContact CG-CD1 4Å; K9-F42 HydrophobicContact CG-CG 4.06Å
10T93.8Very high84.7Confident81 Ų81103 Ų10350%0.49750%0.502SS..Hα-helixtrans-58.1-44.4177.1-58.20000111.8S6 R7 I8 N14S6-T10 PolarHBondContact O-N 3.25Å; S6-T10 PolarHBondContact O-OG1 3.11Å; S6-T10 VanDerWaalsContact O-OG1 3.08Å; R7-T10 PolarHBondContact O-N 3.38Å; I8-T10 PolarHBondContact O-N 2.77Å; T10-N14 WeakPolarHBondContact O-CB 3.45Å; T10-N14 VanDerWaalsContact O-CG 3.23Å; T10-N14 PolarHBondContact O-N 3.07Å; T10-N14 PolarHBondContact O-ND2 3.45Å
11Q92.5Very high84.7Confident108 Ų108102.1 Ų102.151%0.50550%0.496SS..Hα-helixtrans-63.4-42.7177.6-73.7177.1-10.400112.1R7 I8 K9 N14 R15R7-Q11 WeakPolarHBondContact O-CG 3.33Å; R7-Q11 PolarHBondContact O-N 3.17Å; I8-Q11 PolarHBondContact O-N 2.97Å; K9-Q11 VanDerWaalsContact C-N 3.32Å; K9-Q11 PolarHBondContact O-N 3.32Å; Q11-N14 PolarHBondContact O-N 3.49Å; Q11-R15 WeakPolarHBondContact O-CG 3.35Å
12S90.8Very high86.4Confident31 Ų3194 Ų9422%0.21747%0.468CS..Hα-helixtrans-66.4-42.9179.7-71.30000112.6I8 K9 N14 R15 F42I8-S12 WeakPolarHBondContact O-CB 3.23Å; I8-S12 PolarHBondContact O-N 2.78Å; I8-S12 PolarHBondContact O-OG 2.94Å; K9-S12 PolarHBondContact O-N 3.29Å; S12-N14 PolarHBondContact O-N 3.33Å; S12-R15 WeakPolarHBondContact O-CB 3.28Å; S12-R15 PolarHBondContact O-N 3.3Å; S12-F42 WeakPolarHBondContact OG-CE2 3.37Å
13L91.6Very high87.9Confident73 Ų7392.1 Ų92.138%0.38246%0.462SS..Hα-helixtrans-70.6-20.3179.7-65.2179.4000113.5K9 N36 F42K9-L13 HydrophobicContact CD-CD1 4.49Å; K9-L13 HydrophobicContact CG-CD1 3.85Å; K9-L13 HydrophobicContact CG-CG 4.32Å; K9-L13 WeakPolarHBondContact O-CG 3.42Å; K9-L13 PolarHBondContact O-N 3.5Å; L13-N36 HydrophobicContact CD1-CB 4.36Å; L13-N36 HydrophobicContact CD2-CB 4.06Å; L13-N36 VanDerWaalsContact CD2-CG 3.46Å; L13-F42 HydrophobicContact CD2-CB 4.45Å
14N89.8Confident89Confident131 Ų13183.6 Ų83.670%0.70144%0.436SS*.THydrogen-bonded Turntrans-88-2.2175.2-70.3-16.9000113.3T10 Q11 S12T10-N14 WeakPolarHBondContact O-CB 3.45Å; T10-N14 VanDerWaalsContact O-CG 3.23Å; T10-N14 PolarHBondContact O-N 3.07Å; T10-N14 PolarHBondContact O-ND2 3.45Å; Q11-N14 PolarHBondContact O-N 3.49Å; S12-N14 PolarHBondContact O-N 3.33Å
15R87.6Confident89.3Confident179 Ų17980.7 Ų80.768%0.67542%0.417SS*.SBendtrans-74.7149.7176.5-71179.6-179.8-172.9-3.8110.4Q11 S12Q11-R15 WeakPolarHBondContact O-CG 3.35Å; S12-R15 WeakPolarHBondContact O-CB 3.28Å; S12-R15 PolarHBondContact O-N 3.3Å
16L83Confident89.4Confident153 Ų15386.8 Ų86.880%0.80145%0.446SS*.PPolyproline II helixtrans-67.5146.7168.3-63.7173000109.9L18L16-L18 PolarHBondContact O-N 3.06Å
17D82.8Confident89.6Confident64 Ų6486.7 Ų86.734%0.34244%0.441SS..PPolyproline II helixtrans-67.9124.1172.2-168-41.2000109.4S19 S23 V24D17-S19 WeakPolarHBondContact OD1-CB 3.46Å; D17-S19 PolarHBondContact OD1-N 3.04Å; D17-S19 PolarHBondContact OD1-OG 3.25Å; D17-S23 VanDerWaalsContact OD2-CA 3.23Å; D17-S23 WeakPolarHBondContact OD2-CA 3.36Å; D17-S23 PolarHBondContact OD2-N 2.58Å; D17-V24 PolarHBondContact OD2-N 2.92Å
18L83.8Confident89.9Confident142 Ų14279.2 Ų79.274%0.74341%0.413SS*.  trans-96.1-0.3-176.6-59.8178.6000113L16 T266L16-L18 PolarHBondContact O-N 3.06Å; L18-T266 WeakPolarHBondContact O-CG2 3.35Å
19S83.4Confident90.1Very high40 Ų4082 Ų8228%0.2843%0.425SS..SBendtrans-65.2155.9173.3700000110.7D17 K21 G22D17-S19 WeakPolarHBondContact OD1-CB 3.46Å; D17-S19 PolarHBondContact OD1-N 3.04Å; D17-S19 PolarHBondContact OD1-OG 3.25Å; S19-K21 PolarHBondContact O-N 3.46Å; S19-K21 VanDerWaalsContact O-N 3.09Å; S19-G22 PolarHBondContact O-N 2.91Å; S19-G22 PolarHBondContact OG-N 3.46Å; S19-G22 VanDerWaalsContact OG-N 3.13Å
20K78.3Confident90.2Very high140 Ų14084.5 Ų84.561%0.60944%0.437SS*.THydrogen-bonded Turntrans-55.6-27.3172.9-70.1178.3-173.9-179.80113.5W70 T266K20-W70 HydrophobicContact CD-CH2 4.47Å; K20-W70 VanDerWaalsContact NZ-CZ2 3.3Å; K20-T266 WeakPolarHBondContact CE-OXT 3.12Å; K20-T266 WeakPolarHBondContact CG-OXT 3.25Å
21K84Confident90.4Very high86 Ų8680.7 Ų80.737%0.37441%0.414SS..THydrogen-bonded Turntrans-77-30.7177.2-169.1-175.8177.8-165.20111.9S19 S23 V24 D25S19-K21 PolarHBondContact O-N 3.46Å; S19-K21 VanDerWaalsContact O-N 3.09Å; K21-S23 PolarHBondContact O-N 3.5Å; K21-V24 PolarHBondContact NZ-O 2.84Å; K21-D25 WeakPolarHBondContact CD-OD1 3.26Å; K21-D25 IonicContact NZ-OD1 3.95Å; K21-D25 PolarHBondContact NZ-OD1 3Å
22G87.6Confident90.7Very high46 Ų4676.1 Ų76.147%0.47439%0.393SS..SBendtrans71.314.9-176.800000113.8S19S19-G22 PolarHBondContact O-N 2.91Å; S19-G22 PolarHBondContact OG-N 3.46Å; S19-G22 VanDerWaalsContact OG-N 3.13Å
23S91.7Very high91Very high56 Ų5677.7 Ų77.739%0.39240%0.404SS..SBendtrans-155.8158.2175.564.80000112.1D17 K21D17-S23 VanDerWaalsContact OD2-CA 3.23Å; D17-S23 WeakPolarHBondContact OD2-CA 3.36Å; D17-S23 PolarHBondContact OD2-N 2.58Å; K21-S23 PolarHBondContact O-N 3.5Å
24V93.8Very high91.3Very high50 Ų5075.7 Ų75.730%0.30339%0.394SS..  trans-63.3146.1171.8179.90000109.8D17 K21 I28 V32D17-V24 PolarHBondContact OD2-N 2.92Å; K21-V24 PolarHBondContact NZ-O 2.84Å; V24-I28 HydrophobicContact CG1-CG1 4.17Å; V24-V32 HydrophobicContact CG1-CB 4.26Å; V24-V32 HydrophobicContact CG1-CG2 3.87Å; V24-V32 HydrophobicContact CG2-CG1 4.4Å
25D95.1Very high91.7Very high8 Ų869.5 Ų69.54%0.04336%0.36CS..  trans-69.3130.9173.3-70.7-29.6000112.1K21 D27 I28 E29 S48 H75K21-D25 WeakPolarHBondContact CD-OD1 3.26Å; K21-D25 IonicContact NZ-OD1 3.95Å; K21-D25 PolarHBondContact NZ-OD1 3Å; D25-D27 PolarHBondContact O-N 3.33Å; D25-I28 HydrophobicContact CB-CD1 4.36Å; D25-I28 HydrophobicContact CB-CG1 3.88Å; D25-I28 CarbonylContact O-C 3.53Å; D25-I28 VanDerWaalsContact O-CG1 3.31Å; D25-I28 WeakPolarHBondContact O-CG1 3.48Å; D25-I28 PolarHBondContact O-N 3.08Å; D25-E29 PolarHBondContact O-N 3.24Å; D25-S48 VanDerWaalsContact CB-OG 3.29Å; D25-S48 WeakPolarHBondContact CB-OG 3.35Å; D25-S48 WeakPolarHBondContact OD2-CB 3.2Å; D25-S48 PolarHBondContact OD2-N 3.29Å; D25-S48 PolarHBondContact OD2-OG 3.38Å; D25-H75 IonicContact OD1-CD2 2.74Å; D25-H75 IonicContact OD1-CG 3.14Å; D25-H75 IonicContact OD2-CD2 2.86Å; D25-H75 PolarHBondContact OD2-CD2 2.64Å; D25-H75 IonicContact OD2-CG 2.69Å; D25-H75 IonicContact OD2-NE2 2.76Å
26E95.6Very high92.2Very high147 Ų14762.5 Ų62.569%0.68734%0.336SS*.Hα-helixtrans-52.3-42.3-178.5-67.9159.1-161.100111.4I28 E29E26-I28 PolarHBondContact O-N 3.49Å; E26-E29 PolarHBondContact O-N 3.5Å
27D96.6Very high92.8Very high51 Ų5158.7 Ų58.727%0.27332%0.323SS..Hα-helixtrans-61.7-15.7178.9-77.4-28.5000114.6D25 H30 Q76 L180D25-D27 PolarHBondContact O-N 3.33Å; D27-H30 PolarHBondContact O-CE1 3.36Å; D27-Q76 PolarHBondContact OD2-NE2 3.14Å; D27-L180 HydrophobicContact CB-CD2 3.9Å
28I97.9Very high93.5Very high0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-128.33.218061.7166000113.4V24 D25 E26 H30 V31 V32 F101 V183V24-I28 HydrophobicContact CG1-CG1 4.17Å; D25-I28 HydrophobicContact CB-CD1 4.36Å; D25-I28 HydrophobicContact CB-CG1 3.88Å; D25-I28 CarbonylContact O-C 3.53Å; D25-I28 VanDerWaalsContact O-CG1 3.31Å; D25-I28 WeakPolarHBondContact O-CG1 3.48Å; D25-I28 PolarHBondContact O-N 3.08Å; E26-I28 PolarHBondContact O-N 3.49Å; I28-H30 PolarHBondContact O-N 2.9Å; I28-V31 WeakPolarHBondContact O-CB 3.5Å; I28-V31 PolarHBondContact O-N 2.86Å; I28-V32 PolarHBondContact O-N 2.85Å; I28-F101 HydrophobicContact CB-CE2 4.22Å; I28-F101 HydrophobicContact CD1-CD2 4.43Å; I28-F101 HydrophobicContact CD1-CE2 4.07Å; I28-F101 HydrophobicContact CG2-CD2 3.76Å; I28-F101 HydrophobicContact CG2-CE2 3.66Å; I28-V183 HydrophobicContact CG2-CG1 3.8Å; I28-V183 HydrophobicContact CG2-CG2 4.43Å
29E97.2Very high94Very high113 Ų11355.6 Ų55.653%0.52830%0.303SS..Hα-helixtrans-55.3-40.3179.6-176.3179.3-157.700111.4D25 E26 V31 V32 S33D25-E29 PolarHBondContact O-N 3.24Å; E26-E29 PolarHBondContact O-N 3.5Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-V31 PolarHBondContact O-N 3.48Å; E29-V32 PolarHBondContact O-N 3.4Å; E29-S33 VanDerWaalsContact O-CB 3.23Å; E29-S33 WeakPolarHBondContact O-CB 3.28Å; E29-S33 PolarHBondContact O-N 3.39Å; E29-S33 PolarHBondContact O-OG 3.21Å
30H98Very high94.6Very high76 Ų7655.1 Ų55.135%0.35230%0.296SS..Hα-helixtrans-63.7-36.3177.164.3-83.9000113D27 I28 L34 F187D27-H30 PolarHBondContact O-CE1 3.36Å; I28-H30 PolarHBondContact O-N 2.9Å; H30-L34 WeakPolarHBondContact O-CB 3.5Å; H30-L34 PolarHBondContact O-N 3.12Å; H30-L34 VanDerWaalsContact O-N 3.07Å; H30-F187 HydrophobicContact CB-CE2 4.44Å; H30-F187 HydrophobicContact CB-CZ 4.45Å; H30-F187 AromaticContact CD2-CD1 3.62Å; H30-F187 AromaticContact CD2-CD2 3.46Å; H30-F187 VanDerWaalsContact CD2-CD2 3.46Å; H30-F187 WeakPolarHBondContact CD2-CD2 3.31Å; H30-F187 AromaticContact CD2-CE1 3.8Å; H30-F187 AromaticContact CD2-CE2 3.63Å; H30-F187 AromaticContact CD2-CG 3.43Å; H30-F187 VanDerWaalsContact CD2-CG 3.43Å; H30-F187 WeakPolarHBondContact CD2-CG 3.22Å; H30-F187 AromaticContact CD2-CZ 3.8Å; H30-F187 AromaticContact NE2-CG 3.76Å
31V98.5Very high95.5Very high1 Ų148.4 Ų48.41%0.00627%0.267CS..Hα-helixtrans-68.1-49.2175.2178.70000110.4I28 E29 S33 L34 L35 L103 V183 F186 F187I28-V31 WeakPolarHBondContact O-CB 3.5Å; I28-V31 PolarHBondContact O-N 2.86Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-V31 PolarHBondContact O-N 3.48Å; V31-S33 VanDerWaalsContact C-N 3.33Å; V31-S33 PolarHBondContact O-N 2.87Å; V31-L34 PolarHBondContact O-N 3.21Å; V31-L35 HydrophobicContact CG1-CD1 4.19Å; V31-L35 PolarHBondContact O-N 3.07Å; V31-L35 VanDerWaalsContact O-N 3.11Å; V31-L103 HydrophobicContact CG1-CD2 4.2Å; V31-V183 HydrophobicContact CG2-CG1 4.23Å; V31-F186 HydrophobicContact CG1-CD1 4.04Å; V31-F186 HydrophobicContact CG1-CE1 3.61Å; V31-F187 HydrophobicContact CG2-CB 4.06Å; V31-F187 HydrophobicContact CG2-CD2 3.93Å; V31-F187 HydrophobicContact CG2-CG 4.33Å
32V97.9Very high96.2Very high11 Ų1144.3 Ų44.37%0.06725%0.249CC..Hα-helixtrans-60.9-44.9-179.9172.30000110.4V24 I28 E29 L35 N36 T43V24-V32 HydrophobicContact CG1-CB 4.26Å; V24-V32 HydrophobicContact CG1-CG2 3.87Å; V24-V32 HydrophobicContact CG2-CG1 4.4Å; I28-V32 PolarHBondContact O-N 2.85Å; E29-V32 PolarHBondContact O-N 3.4Å; V32-L35 PolarHBondContact O-N 3.44Å; V32-N36 VanDerWaalsContact CG1-ND2 3.34Å; V32-N36 WeakPolarHBondContact CG1-ND2 3.12Å; V32-N36 WeakPolarHBondContact O-CB 3.36Å; V32-N36 VanDerWaalsContact O-CG 3.29Å; V32-N36 PolarHBondContact O-N 2.78Å; V32-N36 PolarHBondContact O-ND2 2.88Å; V32-T43 HydrophobicContact CB-CG2 4.41Å; V32-T43 HydrophobicContact CG1-CG2 4.04Å; V32-T43 HydrophobicContact CG2-CG2 4.37Å
33S97.6Very high96.6Very high64 Ų6443.1 Ų43.145%0.44823%0.232SC..Hα-helixtrans-62.2-45178.1-63.10000112.3E29 V31 L35 N36 S37E29-S33 VanDerWaalsContact O-CB 3.23Å; E29-S33 WeakPolarHBondContact O-CB 3.28Å; E29-S33 PolarHBondContact O-N 3.39Å; E29-S33 PolarHBondContact O-OG 3.21Å; V31-S33 VanDerWaalsContact C-N 3.33Å; V31-S33 PolarHBondContact O-N 2.87Å; S33-L35 PolarHBondContact O-N 2.85Å; S33-N36 PolarHBondContact O-N 2.92Å; S33-S37 WeakPolarHBondContact O-CB 3.27Å; S33-S37 PolarHBondContact O-N 2.89Å
34L98.1Very high96.8Very high32 Ų3243.2 Ų43.217%0.16823%0.23CC..Hα-helixtrans-59.6-49.2177.6175.960.6000111.2H30 V31 N36 S37 C38 F187 L190 Q191H30-L34 WeakPolarHBondContact O-CB 3.5Å; H30-L34 PolarHBondContact O-N 3.12Å; H30-L34 VanDerWaalsContact O-N 3.07Å; V31-L34 PolarHBondContact O-N 3.21Å; L34-N36 PolarHBondContact O-N 2.99Å; L34-S37 PolarHBondContact O-N 3.47Å; L34-S37 PolarHBondContact O-OG 2.9Å; L34-C38 PolarHBondContact O-N 3.22Å; L34-C38 PolarHBondContact O-SG 2.86Å; L34-F187 HydrophobicContact CB-CE2 4Å; L34-F187 HydrophobicContact CD2-CD2 4.01Å; L34-F187 HydrophobicContact CD2-CE2 3.57Å; L34-F187 HydrophobicContact CD2-CZ 4.39Å; L34-F187 HydrophobicContact CG-CE2 4.41Å; L34-L190 HydrophobicContact CD2-CD2 3.95Å; L34-L190 HydrophobicContact CD2-CG 3.96Å; L34-L190 HydrophobicContact CG-CD2 4.47Å; L34-Q191 HydrophobicContact CD2-CB 4.18Å
35L98.1Very high96.8Very high0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-61.6-46.1178.4-72.8165.9000111.8V31 V32 S33 S37 C38 F41 T43 L103 V105 L116 L190V31-L35 HydrophobicContact CG1-CD1 4.19Å; V31-L35 PolarHBondContact O-N 3.07Å; V31-L35 VanDerWaalsContact O-N 3.11Å; V32-L35 PolarHBondContact O-N 3.44Å; S33-L35 PolarHBondContact O-N 2.85Å; L35-S37 PolarHBondContact O-N 3.24Å; L35-C38 WeakPolarHBondContact O-CB 3.43Å; L35-C38 PolarHBondContact O-N 3.28Å; L35-F41 HydrophobicContact CB-CB 4.41Å; L35-F41 HydrophobicContact CD2-CB 4.18Å; L35-F41 HydrophobicContact CD2-CD2 3.79Å; L35-F41 HydrophobicContact CD2-CE2 4.44Å; L35-F41 HydrophobicContact CD2-CG 4.02Å; L35-T43 HydrophobicContact CB-CG2 4.1Å; L35-T43 HydrophobicContact CD1-CG2 4.05Å; L35-L103 HydrophobicContact CD1-CD2 3.58Å; L35-V105 HydrophobicContact CD1-CG2 3.82Å; L35-V105 HydrophobicContact CD2-CG1 4.5Å; L35-L116 HydrophobicContact CD2-CD1 4.2Å; L35-L190 HydrophobicContact CD1-CD2 4.31Å; L35-L190 HydrophobicContact CD2-CD1 4.06Å; L35-L190 HydrophobicContact CD2-CD2 3.74Å; L35-L190 HydrophobicContact CD2-CG 4.49Å; L35-L190 HydrophobicContact CG-CD2 3.8Å
36N97.2Very high96.9Very high32 Ų3244.4 Ų44.417%0.17124%0.242CC..Hα-helixtrans-69.1-21.4-178.7-70.1-26000112.9K9 L13 V32 S33 L34 C38 F42 T43K9-N36 VanDerWaalsContact CE-O 3.24Å; K9-N36 WeakPolarHBondContact CE-O 3.49Å; K9-N36 PolarHBondContact NZ-O 3.49Å; L13-N36 HydrophobicContact CD1-CB 4.36Å; L13-N36 HydrophobicContact CD2-CB 4.06Å; L13-N36 VanDerWaalsContact CD2-CG 3.46Å; V32-N36 VanDerWaalsContact CG1-ND2 3.34Å; V32-N36 WeakPolarHBondContact CG1-ND2 3.12Å; V32-N36 WeakPolarHBondContact O-CB 3.36Å; V32-N36 VanDerWaalsContact O-CG 3.29Å; V32-N36 PolarHBondContact O-N 2.78Å; V32-N36 PolarHBondContact O-ND2 2.88Å; S33-N36 PolarHBondContact O-N 2.92Å; L34-N36 PolarHBondContact O-N 2.99Å; N36-C38 VanDerWaalsContact C-N 3.31Å; N36-F42 VanDerWaalsContact OD1-CA 3.25Å; N36-F42 WeakPolarHBondContact OD1-CA 3.3Å; N36-T43 PolarHBondContact ND2-OG1 3.39Å; N36-T43 PolarHBondContact OD1-N 3.44Å; N36-T43 PolarHBondContact OD1-OG1 2.62Å
37S96.5Very high97Very high74 Ų7438.1 Ų38.152%0.51721%0.214SC..Hα-helixtrans-73.6-18.4170.580.50000114S33 L34 L35S33-S37 WeakPolarHBondContact O-CB 3.27Å; S33-S37 PolarHBondContact O-N 2.89Å; L34-S37 PolarHBondContact O-N 3.47Å; L34-S37 PolarHBondContact O-OG 2.9Å; L35-S37 PolarHBondContact O-N 3.24Å
38C96.3Very high97Very high2 Ų235.7 Ų35.71%0.01420%0.201CC..SBendtrans-89.8128.5-176.3-64.80000111.2K9 L34 L35 N36 Q40 F41K9-C38 PolarHBondContact NZ-O 2.89Å; L34-C38 PolarHBondContact O-N 3.22Å; L34-C38 PolarHBondContact O-SG 2.86Å; L35-C38 WeakPolarHBondContact O-CB 3.43Å; L35-C38 PolarHBondContact O-N 3.28Å; N36-C38 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 2.7Å; C38-Q40 VanDerWaalsContact O-N 3.07Å; C38-F41 HydrophobicContact CB-CD2 3.83Å; C38-F41 PolarHBondContact O-N 3.15Å; C38-F41 VanDerWaalsContact O-N 3.14Å; C38-F41 VanDerWaalsContact O-O 3.06Å
39E95.3Very high97Very high139 Ų13935.7 Ų35.765%0.6520%0.201SC*.THydrogen-bonded Turntrans-59.2-24.9-177.8-66.8-166.7-176.200114.4F5 R108F5-E39 WeakPolarHBondContact CE1-O 3.49Å; E39-R108 IonicContact OE2-NH2 3.43Å; E39-R108 PolarHBondContact OE2-NH2 3.47Å
40Q95.9Very high97Very high29 Ų2931.5 Ų31.514%0.13618%0.18CC..THydrogen-bonded Turntrans-85-9.2-177.465.4-91.150.800114.3C38 C107 R108 D112 E197C38-Q40 PolarHBondContact O-N 2.7Å; C38-Q40 VanDerWaalsContact O-N 3.07Å; Q40-C107 CarbonylContact O-C 3.47Å; Q40-C107 WeakPolarHBondContact O-CA 3.41Å; Q40-R108 HydrophobicContact CB-CB 4.32Å; Q40-R108 PolarHBondContact O-N 2.81Å; Q40-D112 HydrophobicContact CB-CB 4.08Å; Q40-D112 HydrophobicContact CG-CB 4.23Å; Q40-E197 PolarHBondContact NE2-OE2 2.87Å
41F97.3Very high97Very high0 Ų027.9 Ų27.90%016%0.164CC..EExtended strand (participates in β ladder)trans-132.7152.6-174-56.9-54.9000113K9 L35 C38 V105 C107 D112 L116K9-F41 WeakPolarHBondContact CD-O 3.45Å; K9-F41 WeakPolarHBondContact CE-O 3.27Å; K9-F41 PolarHBondContact NZ-O 2.88Å; L35-F41 HydrophobicContact CB-CB 4.41Å; L35-F41 HydrophobicContact CD2-CB 4.18Å; L35-F41 HydrophobicContact CD2-CD2 3.79Å; L35-F41 HydrophobicContact CD2-CE2 4.44Å; L35-F41 HydrophobicContact CD2-CG 4.02Å; C38-F41 HydrophobicContact CB-CD2 3.83Å; C38-F41 PolarHBondContact O-N 3.15Å; C38-F41 VanDerWaalsContact O-N 3.14Å; C38-F41 VanDerWaalsContact O-O 3.06Å; F41-V105 HydrophobicContact CB-CG1 3.82Å; F41-V105 HydrophobicContact CD1-CG1 4.01Å; F41-V105 HydrophobicContact CG-CG1 4.19Å; F41-C107 HydrophobicContact CD1-CB 4.33Å; F41-C107 HydrophobicContact CE1-CB 4.36Å; F41-D112 HydrophobicContact CE1-CB 3.65Å; F41-D112 WeakPolarHBondContact CE1-O 3.48Å; F41-D112 HydrophobicContact CZ-CB 3.96Å; F41-D112 WeakPolarHBondContact CZ-O 3.4Å; F41-L116 HydrophobicContact CD1-CD2 4.45Å; F41-L116 HydrophobicContact CE1-CB 4.27Å; F41-L116 HydrophobicContact CE1-CD2 4.38Å; F41-L116 HydrophobicContact CZ-CB 4.41Å
42F97.5Very high96.9Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-150.9146.8152.266.3-87.2000111.6F5 I8 K9 S12 L13 N36 T44 V105 Q106F5-F42 HydrophobicContact CD2-CE1 4.32Å; F5-F42 HydrophobicContact CE1-CD1 4.04Å; F5-F42 HydrophobicContact CE1-CE1 4.35Å; F5-F42 HydrophobicContact CE2-CD1 4.02Å; F5-F42 AromaticContact CE2-CE1 3.66Å; F5-F42 HydrophobicContact CE2-CE1 3.66Å; F5-F42 AromaticContact CZ-CD1 3.53Å; F5-F42 HydrophobicContact CZ-CD1 3.53Å; F5-F42 AromaticContact CZ-CE1 3.68Å; F5-F42 HydrophobicContact CZ-CE1 3.68Å; I8-F42 HydrophobicContact CG2-CE1 4.19Å; I8-F42 HydrophobicContact CG2-CE2 4.5Å; I8-F42 HydrophobicContact CG2-CZ 3.63Å; K9-F42 HydrophobicContact CB-CB 4.37Å; K9-F42 HydrophobicContact CB-CD1 3.64Å; K9-F42 HydrophobicContact CB-CE1 4.11Å; K9-F42 HydrophobicContact CB-CG 4.11Å; K9-F42 HydrophobicContact CD-CB 3.96Å; K9-F42 HydrophobicContact CD-CD1 4.29Å; K9-F42 HydrophobicContact CG-CB 3.78Å; K9-F42 HydrophobicContact CG-CD1 4Å; K9-F42 HydrophobicContact CG-CG 4.06Å; S12-F42 WeakPolarHBondContact OG-CE2 3.37Å; L13-F42 HydrophobicContact CD2-CB 4.45Å; N36-F42 VanDerWaalsContact OD1-CA 3.25Å; N36-F42 WeakPolarHBondContact OD1-CA 3.3Å; F42-T44 HydrophobicContact CD2-CG2 4.17Å; F42-T44 HydrophobicContact CE2-CG2 3.75Å; F42-V105 CarbonylContact O-C 3.6Å; F42-V105 WeakPolarHBondContact O-CA 3.46Å; F42-V105 WeakPolarHBondContact O-CG1 3.43Å; F42-Q106 HydrophobicContact CD1-CB 4.13Å; F42-Q106 HydrophobicContact CD2-CB 4.34Å; F42-Q106 HydrophobicContact CE1-CB 3.62Å; F42-Q106 HydrophobicContact CE1-CG 3.8Å; F42-Q106 HydrophobicContact CE2-CB 3.85Å; F42-Q106 HydrophobicContact CG-CB 4.47Å; F42-Q106 HydrophobicContact CZ-CB 3.47Å; F42-Q106 VanDerWaalsContact CZ-CB 3.47Å; F42-Q106 HydrophobicContact CZ-CG 3.75Å; F42-Q106 VanDerWaalsContact CZ-OE1 3.22Å; F42-Q106 PolarHBondContact N-O 3.12Å; F42-Q106 PolarHBondContact O-N 2.77Å
43T97.3Very high96.9Very high20 Ų2027.6 Ų27.612%0.12316%0.161CC..EExtended strand (participates in β ladder)trans-78.6138.5179.160.10000111.1V32 L35 N36 L103 H104V32-T43 HydrophobicContact CB-CG2 4.41Å; V32-T43 HydrophobicContact CG1-CG2 4.04Å; V32-T43 HydrophobicContact CG2-CG2 4.37Å; L35-T43 HydrophobicContact CB-CG2 4.1Å; L35-T43 HydrophobicContact CD1-CG2 4.05Å; N36-T43 PolarHBondContact ND2-OG1 3.39Å; N36-T43 PolarHBondContact OD1-N 3.44Å; N36-T43 PolarHBondContact OD1-OG1 2.62Å; T43-L103 HydrophobicContact CG2-CD1 3.85Å; T43-H104 WeakPolarHBondContact CA-O 3.44Å
44T95.3Very high96.7Very high58 Ų5826 Ų2636%0.35615%0.147SC..EExtended strand (participates in β ladder)trans-108.2-29.1175.557.50000113.1F42 H104 Q106F42-T44 HydrophobicContact CD2-CG2 4.17Å; F42-T44 HydrophobicContact CE2-CG2 3.75Å; T44-H104 PolarHBondContact N-O 2.83Å; T44-H104 VanDerWaalsContact OG1-CB 3.24Å; T44-H104 WeakPolarHBondContact OG1-CB 3.21Å; T44-H104 PolarHBondContact OG1-O 3.46Å; T44-Q106 HydrophobicContact CG2-CB 4.15Å
45S94.7Very high96.4Very high45 Ų4524.7 Ų24.732%0.31514%0.141SC..EExtended strand (participates in β ladder)trans-162.2153.6172.4580000110.5H104S45-H104 PolarHBondContact O-N 3.43Å; S45-H104 PolarHBondContact OG-ND1 2.88Å
46S96.3Very high95.6Very high39 Ų3925.6 Ų25.627%0.27315%0.15SC..EExtended strand (participates in β ladder)trans-157.4150.6-178.958.60000112.2V102S46-V102 CarbonylContact C-O 3.59Å; S46-V102 VanDerWaalsContact CA-O 3.3Å; S46-V102 WeakPolarHBondContact CA-O 3.38Å
47C97.1Very high93.8Very high14 Ų1426 Ų2610%0.09516%0.158CC..EExtended strand (participates in β ladder)trans-145.6135.9166.7176.60000108.4G49 F101 V102C47-G49 PolarHBondContact O-N 3.06Å; C47-G49 PolarHBondContact SG-N 2.85Å; C47-F101 WeakPolarHBondContact O-CA 3.47Å; C47-F101 VanDerWaalsContact O-CD2 3.25Å; C47-F101 WeakPolarHBondContact O-CD2 3.46Å; C47-V102 HydrophobicContact CB-CG1 3.88Å; C47-V102 PolarHBondContact N-O 2.81Å; C47-V102 PolarHBondContact O-N 3.47Å
48S97.3Very high91.6Very high0 Ų025.8 Ų25.80%016%0.16CC..EExtended strand (participates in β ladder)trans-67.6-21.5179.956.70000113.2D25 N179D25-S48 VanDerWaalsContact CB-OG 3.29Å; D25-S48 WeakPolarHBondContact CB-OG 3.35Å; D25-S48 WeakPolarHBondContact OD2-CB 3.2Å; D25-S48 PolarHBondContact OD2-N 3.29Å; D25-S48 PolarHBondContact OD2-OG 3.38Å; S48-N179 PolarHBondContact O-ND2 3.41Å
49G97.3Very high89.5Confident0 Ų029.1 Ų29.10%020%0.195CC..EExtended strand (participates in β ladder)trans122.2150.2-170.300000109.3C47 H75 E99C47-G49 PolarHBondContact O-N 3.06Å; C47-G49 PolarHBondContact SG-N 2.85Å; G49-H75 WeakPolarHBondContact O-CA 3.32Å; G49-H75 PolarHBondContact O-CD2 3.15Å; G49-E99 CarbonylContact C-O 3.5Å; G49-E99 WeakPolarHBondContact CA-O 3.4Å
50R97.4Very high87.3Confident26 Ų2625.7 Ų25.710%0.09819%0.187CC..EExtended strand (participates in β ladder)trans-150.7144.4-175.457.4-173.8-178.9-156.17.4113I52 S74 F98 E99R50-I52 HydrophobicContact CB-CG1 4.2Å; R50-I52 VanDerWaalsContact CD-CD1 3.44Å; R50-I52 HydrophobicContact CG-CD1 3.71Å; R50-I52 HydrophobicContact CG-CG1 3.73Å; R50-S74 CarbonylContact C-O 3.54Å; R50-S74 WeakPolarHBondContact CA-O 3.41Å; R50-S74 WeakPolarHBondContact CB-O 3.4Å; R50-F98 WeakPolarHBondContact O-CA 3.39Å; R50-E99 HydrophobicContact CG-CB 4.12Å; R50-E99 IonicContact CZ-OE2 3.71Å; R50-E99 PolarHBondContact N-O 3.47Å; R50-E99 IonicContact NE-OE2 2.88Å; R50-E99 PolarHBondContact NE-OE2 2.94Å; R50-E99 IonicContact NH2-OE2 3.84Å; R50-E99 PolarHBondContact NH2-OE2 3.11Å; R50-E99 PolarHBondContact O-N 2.94Å
51I98.4Very high84.9Confident0 Ų029.9 Ų29.90%022%0.219CC..EExtended strand (participates in β ladder)trans-97.5127.5164.8-58.7171000106.6F72 V73 S74 C78 L96 K97 F98 A172 M176I51-F72 HydrophobicContact CG2-CE1 4.3Å; I51-V73 WeakPolarHBondContact O-CA 3.07Å; I51-S74 PolarHBondContact N-O 3.47Å; I51-S74 PolarHBondContact O-N 2.86Å; I51-C78 HydrophobicContact CD1-CB 4.37Å; I51-L96 HydrophobicContact CG2-CD1 3.9Å; I51-K97 CarbonylContact C-O 3.6Å; I51-K97 WeakPolarHBondContact CA-O 3.44Å; I51-F98 HydrophobicContact CG1-CD2 3.94Å; I51-A172 HydrophobicContact CD1-CB 3.86Å; I51-A172 HydrophobicContact CG1-CB 4.19Å; I51-A172 HydrophobicContact CG2-CB 4.45Å; I51-M176 HydrophobicContact CG1-CE 4.2Å
52I96.9Very high82.5Confident5 Ų535.1 Ų35.13%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-133.8137.3-177.2-36.8175000108.9R50 I54 W70 F72 K97R50-I52 HydrophobicContact CB-CG1 4.2Å; R50-I52 VanDerWaalsContact CD-CD1 3.44Å; R50-I52 HydrophobicContact CG-CD1 3.71Å; R50-I52 HydrophobicContact CG-CG1 3.73Å; I52-I54 HydrophobicContact CG2-CG2 3.57Å; I52-W70 HydrophobicContact CD1-CH2 4.25Å; I52-W70 HydrophobicContact CD1-CZ3 4.41Å; I52-W70 HydrophobicContact CG2-CD2 4.29Å; I52-W70 HydrophobicContact CG2-CE3 3.99Å; I52-W70 HydrophobicContact CG2-CZ3 4.22Å; I52-F72 WeakPolarHBondContact CA-O 3.48Å; I52-F72 VanDerWaalsContact CG2-O 3.26Å; I52-F72 WeakPolarHBondContact CG2-O 3.42Å; I52-K97 PolarHBondContact N-O 3.28Å; I52-K97 PolarHBondContact O-N 2.67Å
53L96.9Very high80Confident0 Ų040.2 Ų40.20%029%0.29CS..EExtended strand (participates in β ladder)trans-110.3118.8162.7-174.468.9000107.4L71 F72 L87 A94 L96 L152L53-L71 HydrophobicContact CB-CB 4.2Å; L53-L71 HydrophobicContact CD2-CB 3.82Å; L53-L71 HydrophobicContact CD2-CD1 3.94Å; L53-L71 HydrophobicContact CG-CB 3.95Å; L53-L71 HydrophobicContact CG-CD1 3.99Å; L53-L71 WeakPolarHBondContact O-CB 3.43Å; L53-L71 PolarHBondContact O-N 3.32Å; L53-F72 HydrophobicContact CB-CB 3.88Å; L53-F72 PolarHBondContact N-O 3.25Å; L53-F72 PolarHBondContact O-N 3.13Å; L53-F72 VanDerWaalsContact O-N 3.14Å; L53-L87 HydrophobicContact CD1-CD2 3.99Å; L53-L87 HydrophobicContact CD1-CG 4.5Å; L53-L87 HydrophobicContact CD2-CD2 3.94Å; L53-L87 HydrophobicContact CD2-CG 3.78Å; L53-A94 HydrophobicContact CD1-CB 4.39Å; L53-L96 HydrophobicContact CD1-CB 4.27Å; L53-L152 HydrophobicContact CD1-CD1 3.93Å
54I94.8Very high77.6Confident30 Ų3046.1 Ų46.115%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-116.5148.117859.7175.8000109.9I52 V69 A94 V95 K97I52-I54 HydrophobicContact CG2-CG2 3.57Å; I54-V69 CarbonylContact C-O 3.59Å; I54-V69 VanDerWaalsContact CA-O 3.31Å; I54-V69 WeakPolarHBondContact CA-O 3.07Å; I54-A94 CarbonylContact O-C 3.52Å; I54-A94 VanDerWaalsContact O-CA 3.22Å; I54-A94 WeakPolarHBondContact O-CA 3.36Å; I54-V95 HydrophobicContact CG1-CB 4.13Å; I54-V95 PolarHBondContact N-O 3.07Å; I54-V95 PolarHBondContact O-N 2.76Å; I54-K97 HydrophobicContact CD1-CD 3.93Å
55D90.8Very high75.6Confident6 Ų649.3 Ų49.33%0.03232%0.324CS..EExtended strand (participates in β ladder)trans-107.5125.8169.9-151.9-18.4000109.8C68 V69 L71 S90 C91 G92 D93D55-C68 WeakPolarHBondContact O-CA 3.45Å; D55-V69 HydrophobicContact CB-CB 4.19Å; D55-V69 PolarHBondContact N-O 2.85Å; D55-V69 PolarHBondContact O-N 3.07Å; D55-L71 HydrophobicContact CB-CD1 3.8Å; D55-L71 HydrophobicContact CB-CD2 4.25Å; D55-L71 HydrophobicContact CB-CG 3.98Å; D55-S90 VanDerWaalsContact CG-OG 3.3Å; D55-S90 WeakPolarHBondContact OD2-CA 3.44Å; D55-S90 WeakPolarHBondContact OD2-CB 3.47Å; D55-S90 PolarHBondContact OD2-OG 3.26Å; D55-C91 PolarHBondContact OD2-N 3.28Å; D55-G92 WeakPolarHBondContact OD1-CA 3.37Å; D55-G92 PolarHBondContact OD1-N 3.01Å; D55-G92 VanDerWaalsContact OD1-N 3.14Å; D55-G92 PolarHBondContact OD2-N 3.41Å; D55-G92 VanDerWaalsContact OD2-N 3.11Å; D55-D93 PolarHBondContact OD1-N 3.11Å
56G80.4Confident73.4Confident19 Ų1955.9 Ų55.920%0.19635%0.35CS..EExtended strand (participates in β ladder)trans-81.9130.3169.400000110.5A58 G92 D93G56-A58 PolarHBondContact O-N 3.5Å; G56-G92 WeakPolarHBondContact O-CA 3.41Å; G56-D93 PolarHBondContact N-O 3.07Å; G56-D93 PolarHBondContact O-N 2.8Å
57A59.5Low71.8Confident40 Ų4059.4 Ų59.433%0.33137%0.366SS..PPolyproline II helixtrans-56126.6174.200000110.5G59 S60 N67A57-G59 PolarHBondContact O-N 3.47Å; A57-S60 PolarHBondContact O-N 2.87Å; A57-S60 PolarHBondContact O-OG 3.43Å; A57-N67 HydrophobicContact CB-CB 4.16Å
58A51.2Low70.8Confident69 Ų6961 Ų6157%0.5738%0.377SS*.THydrogen-bonded Turntrans-56.7116.3178.700000110.2G56G56-A58 PolarHBondContact O-N 3.5Å
59G51.1Low70.4Confident73 Ų7365.1 Ų65.175%0.75340%0.401SS*.THydrogen-bonded Turntrans100.54.2174.500000116.9A57 S61A57-G59 PolarHBondContact O-N 3.47Å; G59-S61 PolarHBondContact O-N 3.18Å
60S49.8Very low70.1Confident66 Ų6668.8 Ų68.846%0.46242%0.416SS..  trans-84.6102.6169.965.10000110.8A57 D62A57-S60 PolarHBondContact O-N 2.87Å; A57-S60 PolarHBondContact O-OG 3.43Å; S60-D62 PolarHBondContact O-N 3.05Å
61S46.7Very low69.9Low117 Ų11768.2 Ų68.282%0.81841%0.414SS*.  trans-70.6-6.8169.347.40000113.5G59G59-S61 PolarHBondContact O-N 3.18Å
62D45.5Very low69.8Low110 Ų11069.9 Ų69.959%0.58842%0.422SS*.SBendtrans-96.8118.1-177.4-68.1-29.9000110.7S60 H64S60-D62 PolarHBondContact O-N 3.05Å; D62-H64 PolarHBondContact O-N 3.4Å
63A46.4Very low69.8Low108 Ų10872.8 Ų72.889%0.89344%0.439SS*.  trans-68.235175.800000113.7
64H46.8Very low69.7Low144 Ų14473.9 Ų73.967%0.66745%0.447SS*.  trans-93.9125176.6-69.882000109.3D62 Q66D62-H64 PolarHBondContact O-N 3.4Å; H64-Q66 PolarHBondContact O-N 2.9Å
65K51.7Low69.8Low124 Ų12474.7 Ų74.754%0.53945%0.45SS..G310 helixtrans-59.23.6-178-63.1-175.6180-171.60115.5N67 L264K65-N67 VanDerWaalsContact C-N 3.32Å; K65-N67 PolarHBondContact O-N 3.21Å; K65-L264 HydrophobicContact CD-CD2 4.48Å; K65-L264 PolarHBondContact NZ-O 3.15Å
66Q50.3Low70.1Confident184 Ų18478.7 Ų78.786%0.8647%0.468SS*.G310 helixtrans-78.7-8.4-168.8-65.6-135-21.400114.8H64H64-Q66 PolarHBondContact O-N 2.9Å
67N62.5Low70.9Confident112 Ų11282.9 Ų82.960%0.59948%0.481SS*.G310 helixtrans-131.525.5-179-98.3-10000114.3A57 K65A57-N67 HydrophobicContact CB-CB 4.16Å; K65-N67 VanDerWaalsContact C-N 3.32Å; K65-N67 PolarHBondContact O-N 3.21Å
68C75Confident72.7Confident49 Ų4981.2 Ų81.233%0.33147%0.467SS..EExtended strand (participates in β ladder)trans-88.1120.8176.6-67.20000111.2D55D55-C68 WeakPolarHBondContact O-CA 3.45Å
69V88.3Confident75Confident85 Ų8581.3 Ų81.352%0.51546%0.461SS..EExtended strand (participates in β ladder)trans-84.9128.5174.4179.30000109.1I54 D55 L71I54-V69 CarbonylContact C-O 3.59Å; I54-V69 VanDerWaalsContact CA-O 3.31Å; I54-V69 WeakPolarHBondContact CA-O 3.07Å; D55-V69 HydrophobicContact CB-CB 4.19Å; D55-V69 PolarHBondContact N-O 2.85Å; D55-V69 PolarHBondContact O-N 3.07Å; V69-L71 HydrophobicContact CG1-CD2 4.25Å; V69-L71 PolarHBondContact O-N 2.99Å
70W91.5Very high77.2Confident78 Ų7879 Ų7930%0.29543%0.433SS..EExtended strand (participates in β ladder)trans-84.5105.1177.1-70.245.5000108.5K20 I52 V73K20-W70 HydrophobicContact CD-CH2 4.47Å; K20-W70 VanDerWaalsContact NZ-CZ2 3.3Å; I52-W70 HydrophobicContact CD1-CH2 4.25Å; I52-W70 HydrophobicContact CD1-CZ3 4.41Å; I52-W70 HydrophobicContact CG2-CD2 4.29Å; I52-W70 HydrophobicContact CG2-CE3 3.99Å; I52-W70 HydrophobicContact CG2-CZ3 4.22Å; W70-V73 HydrophobicContact CE3-CB 3.74Å; W70-V73 HydrophobicContact CE3-CG1 3.98Å; W70-V73 HydrophobicContact CE3-CG2 4.11Å; W70-V73 HydrophobicContact CZ3-CB 3.89Å; W70-V73 HydrophobicContact CZ3-CG1 4.31Å; W70-V73 HydrophobicContact CZ3-CG2 3.71Å
71L94.1Very high79.4Confident13 Ų1381.3 Ų81.37%0.06844%0.44CS..EExtended strand (participates in β ladder)trans-79.1-36.2178.2-61.7176.6000111L53 D55 V69 R89 A94L53-L71 HydrophobicContact CB-CB 4.2Å; L53-L71 HydrophobicContact CD2-CB 3.82Å; L53-L71 HydrophobicContact CD2-CD1 3.94Å; L53-L71 HydrophobicContact CG-CB 3.95Å; L53-L71 HydrophobicContact CG-CD1 3.99Å; L53-L71 WeakPolarHBondContact O-CB 3.43Å; L53-L71 PolarHBondContact O-N 3.32Å; D55-L71 HydrophobicContact CB-CD1 3.8Å; D55-L71 HydrophobicContact CB-CD2 4.25Å; D55-L71 HydrophobicContact CB-CG 3.98Å; V69-L71 HydrophobicContact CG1-CD2 4.25Å; V69-L71 PolarHBondContact O-N 2.99Å; L71-R89 HydrophobicContact CD2-CB 4.28Å; L71-A94 HydrophobicContact CD1-CB 4.3Å
72F96Very high81.8Confident36 Ų3678.7 Ų78.716%0.15842%0.417CS..EExtended strand (participates in β ladder)trans-153.1145.8176.7173.9-102.5000111I51 I52 L53 S74 C78 D82 L83I51-F72 HydrophobicContact CG2-CE1 4.3Å; I52-F72 WeakPolarHBondContact CA-O 3.48Å; I52-F72 VanDerWaalsContact CG2-O 3.26Å; I52-F72 WeakPolarHBondContact CG2-O 3.42Å; L53-F72 HydrophobicContact CB-CB 3.88Å; L53-F72 PolarHBondContact N-O 3.25Å; L53-F72 PolarHBondContact O-N 3.13Å; L53-F72 VanDerWaalsContact O-N 3.14Å; F72-S74 VanDerWaalsContact CZ-CB 3.49Å; F72-C78 HydrophobicContact CE1-CB 3.65Å; F72-C78 HydrophobicContact CZ-CB 3.56Å; F72-D82 HydrophobicContact CD2-CB 4.07Å; F72-D82 HydrophobicContact CE1-CB 4.49Å; F72-D82 HydrophobicContact CE2-CB 3.58Å; F72-D82 HydrophobicContact CZ-CB 3.8Å; F72-L83 HydrophobicContact CD1-CD2 3.83Å; F72-L83 HydrophobicContact CE1-CD2 4.13Å
73V96.1Very high84.3Confident65 Ų6573.5 Ų73.539%0.39439%0.389SS..EExtended strand (participates in β ladder)trans-144.6135.6169.254.60000109.9I51 W70I51-V73 WeakPolarHBondContact O-CA 3.07Å; W70-V73 HydrophobicContact CE3-CB 3.74Å; W70-V73 HydrophobicContact CE3-CG1 3.98Å; W70-V73 HydrophobicContact CE3-CG2 4.11Å; W70-V73 HydrophobicContact CZ3-CB 3.89Å; W70-V73 HydrophobicContact CZ3-CG1 4.31Å; W70-V73 HydrophobicContact CZ3-CG2 3.71Å
74S96.5Very high86.7Confident24 Ų2471 Ų7117%0.16836%0.36CS..EExtended strand (participates in β ladder)trans-143138.8168.4-177.50000110.9R50 I51 F72 Q76R50-S74 CarbonylContact C-O 3.54Å; R50-S74 WeakPolarHBondContact CA-O 3.41Å; R50-S74 WeakPolarHBondContact CB-O 3.4Å; I51-S74 PolarHBondContact N-O 3.47Å; I51-S74 PolarHBondContact O-N 2.86Å; F72-S74 VanDerWaalsContact CZ-CB 3.49Å; S74-Q76 PolarHBondContact OG-N 2.86Å; S74-Q76 PolarHBondContact OG-O 2.87Å; S74-Q76 VanDerWaalsContact OG-O 3.08Å
75H96.4Very high89Confident46 Ų4667.8 Ų67.821%0.21335%0.353CS..SBendtrans-88.66.4167.7-63.190.3000111.7D25 G49D25-H75 IonicContact OD1-CD2 2.74Å; D25-H75 IonicContact OD1-CG 3.14Å; D25-H75 IonicContact OD2-CD2 2.86Å; D25-H75 PolarHBondContact OD2-CD2 2.64Å; D25-H75 IonicContact OD2-CG 2.69Å; D25-H75 IonicContact OD2-NE2 2.76Å; G49-H75 WeakPolarHBondContact O-CA 3.32Å; G49-H75 PolarHBondContact O-CD2 3.15Å
76Q96.3Very high91Very high90 Ų9062 Ų6242%0.42133%0.329SS..SBendtrans-126179.6-179.5-64.2-58.6-46.800110D27 S74D27-Q76 PolarHBondContact OD2-NE2 3.14Å; S74-Q76 PolarHBondContact OG-N 2.86Å; S74-Q76 PolarHBondContact OG-O 2.87Å; S74-Q76 VanDerWaalsContact OG-O 3.08Å
77K97.8Very high93.1Very high108 Ų10854.1 Ų54.147%0.4729%0.292SS..  trans-57.2149.6168.1-68.1-179.4177.61800110.2N173 E177K77-N173 WeakPolarHBondContact CA-OD1 3.2Å; K77-N173 HydrophobicContact CB-CB 4.43Å; K77-N173 WeakPolarHBondContact CB-OD1 3.46Å; K77-N173 HydrophobicContact CD-CB 4.26Å; K77-N173 HydrophobicContact CG-CB 4.04Å; K77-E177 IonicContact NZ-OE2 3.84Å; K77-E177 PolarHBondContact NZ-OE2 3.21Å
78C97.3Very high94.6Very high5 Ų553.4 Ų53.43%0.03430%0.297CS..  trans-120.1164.8176.6710000111.4I51 F72 D82 T169 N173I51-C78 HydrophobicContact CD1-CB 4.37Å; F72-C78 HydrophobicContact CE1-CB 3.65Å; F72-C78 HydrophobicContact CZ-CB 3.56Å; C78-D82 HydrophobicContact CB-CB 4.38Å; C78-T169 WeakPolarHBondContact O-CG2 3.23Å; C78-N173 PolarHBondContact N-OD1 3.45Å; C78-N173 PolarHBondContact O-ND2 2.91Å
79T98.2Very high95.3Very high71 Ų7158.9 Ų58.944%0.43631%0.31SS..  trans-99.3167.4174.166.30000111.2D81 D82T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D82 WeakPolarHBondContact CB-OD2 3.29Å; T79-D82 PolarHBondContact N-OD2 3.5Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-N 3.2Å; T79-D82 VanDerWaalsContact OG1-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 2.89Å
80C97.3Very high95.2Very high25 Ų2555.9 Ų55.917%0.16929%0.293CS..Hα-helixtrans-63.2-41.5173.1-165.30000110D82 L83 M84C80-D82 VanDerWaalsContact C-N 3.29Å; C80-D82 PolarHBondContact O-N 3.14Å; C80-L83 PolarHBondContact O-N 3.43Å; C80-M84 WeakPolarHBondContact O-CG 3.31Å; C80-M84 PolarHBondContact O-N 3.48Å
81D97.5Very high94.9Very high114 Ų11457.1 Ų57.161%0.6131%0.312SS*.Hα-helixtrans-60-37.6179.5-63.1-16.3000112.5T79 L83 M84 S85T79-D81 VanDerWaalsContact C-N 3.28Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 2.68Å; D81-M84 PolarHBondContact O-N 3.41Å; D81-S85 WeakPolarHBondContact O-CB 3.4Å; D81-S85 PolarHBondContact O-N 3.06Å; D81-S85 PolarHBondContact O-OG 3.48Å
82D97.1Very high94.7Very high61 Ų6156.6 Ų56.633%0.32631%0.31SS..Hα-helixtrans-58.1-46.3174.2-67.6-44.8000111.4F72 C78 T79 C80 G86F72-D82 HydrophobicContact CD2-CB 4.07Å; F72-D82 HydrophobicContact CE1-CB 4.49Å; F72-D82 HydrophobicContact CE2-CB 3.58Å; F72-D82 HydrophobicContact CZ-CB 3.8Å; C78-D82 HydrophobicContact CB-CB 4.38Å; T79-D82 WeakPolarHBondContact CB-OD2 3.29Å; T79-D82 PolarHBondContact N-OD2 3.5Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-N 3.2Å; T79-D82 VanDerWaalsContact OG1-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 2.89Å; C80-D82 VanDerWaalsContact C-N 3.29Å; C80-D82 PolarHBondContact O-N 3.14Å; D82-G86 PolarHBondContact O-N 3.3Å
83L96.9Very high94.5Very high1 Ų157.6 Ų57.61%0.00532%0.317CS..Hα-helixtrans-71.2-43.4-180-60.2-169.3000111.5F72 C80 D81 S85 G86 L87 L96 I165 T169F72-L83 HydrophobicContact CD1-CD2 3.83Å; F72-L83 HydrophobicContact CE1-CD2 4.13Å; C80-L83 PolarHBondContact O-N 3.43Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 2.68Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.37Å; L83-G86 PolarHBondContact O-N 3.03Å; L83-G86 VanDerWaalsContact O-N 3.17Å; L83-L87 WeakPolarHBondContact O-CB 3.17Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.1Å; L83-L96 HydrophobicContact CD1-CD1 4.03Å; L83-L96 HydrophobicContact CD1-CD2 4.09Å; L83-L96 HydrophobicContact CD2-CD1 3.91Å; L83-I165 HydrophobicContact CB-CG2 4.12Å; L83-I165 HydrophobicContact CD1-CG2 4.36Å; L83-T169 VanDerWaalsContact CD1-OG1 3.31Å; L83-T169 WeakPolarHBondContact CD1-OG1 3.24Å
84M96.6Very high94.4Very high57 Ų5754.5 Ų54.528%0.28130%0.298SS..Hα-helixtrans-62.9-40.5178.7-70-62.6-76.900111.7C80 D81 G86 L87 S88 E162 I165C80-M84 WeakPolarHBondContact O-CG 3.31Å; C80-M84 PolarHBondContact O-N 3.48Å; D81-M84 PolarHBondContact O-N 3.41Å; M84-G86 VanDerWaalsContact C-N 3.3Å; M84-G86 PolarHBondContact O-N 3.05Å; M84-L87 PolarHBondContact O-N 3.42Å; M84-L87 HydrophobicContact SD-CD1 4.34Å; M84-S88 PolarHBondContact O-N 2.92Å; M84-E162 HydrophobicContact CE-CG 4.19Å; M84-I165 HydrophobicContact CG-CG2 4.32Å; M84-I165 HydrophobicContact SD-CB 4.29Å; M84-I165 HydrophobicContact SD-CG1 4.19Å; M84-I165 HydrophobicContact SD-CG2 4.01Å
85S95.8Very high94.4Very high75 Ų7554.7 Ų54.752%0.52430%0.298SS..Hα-helixtrans-65-33.7174.9-59.80000112.6D81 L83 S88D81-S85 WeakPolarHBondContact O-CB 3.4Å; D81-S85 PolarHBondContact O-N 3.06Å; D81-S85 PolarHBondContact O-OG 3.48Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.37Å; S85-S88 PolarHBondContact O-OG 3.25Å; S85-S88 VanDerWaalsContact O-OG 3.06Å
86G94.1Very high94.4Very high3 Ų352.5 Ų52.53%0.03129%0.288CS..Hα-helixtrans-69.6-47172.100000112D82 L83 M84 S88 R89D82-G86 PolarHBondContact O-N 3.3Å; L83-G86 PolarHBondContact O-N 3.03Å; L83-G86 VanDerWaalsContact O-N 3.17Å; M84-G86 VanDerWaalsContact C-N 3.3Å; M84-G86 PolarHBondContact O-N 3.05Å; G86-S88 VanDerWaalsContact C-N 3.34Å; G86-S88 PolarHBondContact O-N 2.88Å; G86-R89 PolarHBondContact O-N 2.97Å
87L94.3Very high94.5Very high18 Ų1849.8 Ų49.89%0.09428%0.275CS..Hα-helixtrans-64.6-34.7-179.1-73.6169.2000112.9L53 L83 M84 R89 S90 A94 L152 L158 I165L53-L87 HydrophobicContact CD1-CD2 3.99Å; L53-L87 HydrophobicContact CD1-CG 4.5Å; L53-L87 HydrophobicContact CD2-CD2 3.94Å; L53-L87 HydrophobicContact CD2-CG 3.78Å; L83-L87 WeakPolarHBondContact O-CB 3.17Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.1Å; M84-L87 PolarHBondContact O-N 3.42Å; M84-L87 HydrophobicContact SD-CD1 4.34Å; L87-R89 PolarHBondContact O-N 3.44Å; L87-R89 VanDerWaalsContact O-N 3.12Å; L87-S90 VanDerWaalsContact O-CB 3.25Å; L87-S90 WeakPolarHBondContact O-CB 3.38Å; L87-S90 PolarHBondContact O-N 3.38Å; L87-A94 HydrophobicContact CD2-CB 3.91Å; L87-L152 HydrophobicContact CD1-CD1 4.14Å; L87-L152 HydrophobicContact CD2-CB 4.15Å; L87-L152 HydrophobicContact CD2-CD1 3.97Å; L87-L158 HydrophobicContact CD1-CD1 4.07Å; L87-L158 HydrophobicContact CD2-CD1 4.11Å; L87-I165 HydrophobicContact CD1-CD1 3.8Å; L87-I165 HydrophobicContact CD1-CG1 4.17Å
88S93.1Very high94.6Very high98 Ų9844.8 Ų44.869%0.68525%0.253SS*.THydrogen-bonded Turntrans-63.8-17.5177.573.10000113.3M84 S85 G86M84-S88 PolarHBondContact O-N 2.92Å; S85-S88 PolarHBondContact O-OG 3.25Å; S85-S88 VanDerWaalsContact O-OG 3.06Å; G86-S88 VanDerWaalsContact C-N 3.34Å; G86-S88 PolarHBondContact O-N 2.88Å
89R89.6Confident94.6Very high164 Ų16447 Ų4762%0.61926%0.263SS*.THydrogen-bonded Turntrans-97.4-4.7176.5-62.4168.255-155.9-6.2112.8L71 G86 L87L71-R89 HydrophobicContact CD2-CB 4.28Å; G86-R89 PolarHBondContact O-N 2.97Å; L87-R89 PolarHBondContact O-N 3.44Å; L87-R89 VanDerWaalsContact O-N 3.12Å
90S87.1Confident94.5Very high21 Ų2144.7 Ų44.715%0.14725%0.249CC..  trans-72138.6-178.7-179.10000111.2D55 L87D55-S90 VanDerWaalsContact CG-OG 3.3Å; D55-S90 WeakPolarHBondContact OD2-CA 3.44Å; D55-S90 WeakPolarHBondContact OD2-CB 3.47Å; D55-S90 PolarHBondContact OD2-OG 3.26Å; L87-S90 VanDerWaalsContact O-CB 3.25Å; L87-S90 WeakPolarHBondContact O-CB 3.38Å; L87-S90 PolarHBondContact O-N 3.38Å
91C85.1Confident94.6Very high105 Ų10543.6 Ų43.671%0.70924%0.242SC*.  trans-127.1-1.7173.5620000113.3D55 G156D55-C91 PolarHBondContact OD2-N 3.28Å; C91-G156 PolarHBondContact O-N 3.37Å
92G89Confident94.6Very high1 Ų139.5 Ų39.51%0.0122%0.221CC..SBendtrans-125.8-137.3-178.400000113.4D55 G56 S153 G156D55-G92 WeakPolarHBondContact OD1-CA 3.37Å; D55-G92 PolarHBondContact OD1-N 3.01Å; D55-G92 VanDerWaalsContact OD1-N 3.14Å; D55-G92 PolarHBondContact OD2-N 3.41Å; D55-G92 VanDerWaalsContact OD2-N 3.11Å; G56-G92 WeakPolarHBondContact O-CA 3.41Å; G92-S153 PolarHBondContact O-OG 3.48Å; G92-S153 VanDerWaalsContact O-OG 3.04Å; G92-G156 WeakPolarHBondContact O-CA 3.22Å; G92-G156 PolarHBondContact O-N 2.97Å
93D91.7Very high94.7Very high57 Ų5736.6 Ų36.631%0.30521%0.205SC..EExtended strand (participates in β ladder)trans-100.789-178.5-62.9-14000108.9D55 G56 R154 H155D55-D93 PolarHBondContact OD1-N 3.11Å; G56-D93 PolarHBondContact N-O 3.07Å; G56-D93 PolarHBondContact O-N 2.8Å; D93-R154 VanDerWaalsContact OD1-CA 3.26Å; D93-R154 WeakPolarHBondContact OD1-CA 3.34Å; D93-H155 PolarHBondContact OD1-N 3.33Å; D93-H155 IonicContact OD1-ND1 2.77Å
94A94.3Very high94.7Very high0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans-76134.8-178.100000111.3L53 I54 L71 L87 L152 S153L53-A94 HydrophobicContact CD1-CB 4.39Å; I54-A94 CarbonylContact O-C 3.52Å; I54-A94 VanDerWaalsContact O-CA 3.22Å; I54-A94 WeakPolarHBondContact O-CA 3.36Å; L71-A94 HydrophobicContact CD1-CB 4.3Å; L87-A94 HydrophobicContact CD2-CB 3.91Å; A94-L152 PolarHBondContact O-N 3.01Å; A94-S153 WeakPolarHBondContact CA-OG 3.31Å; A94-S153 WeakPolarHBondContact CB-OG 3.41Å; A94-S153 PolarHBondContact N-OG 2.64Å; A94-S153 PolarHBondContact O-N 3.41Å
95V96.4Very high94.8Very high28 Ų2835.2 Ų35.217%0.1720%0.198CC..EExtended strand (participates in β ladder)trans-128.9125.1179.1-176.30000109.3I54 K97 E149 V150I54-V95 HydrophobicContact CG1-CB 4.13Å; I54-V95 PolarHBondContact N-O 3.07Å; I54-V95 PolarHBondContact O-N 2.76Å; V95-K97 HydrophobicContact CG1-CD 4.36Å; V95-K97 HydrophobicContact CG1-CG 3.88Å; V95-E149 HydrophobicContact CG1-CG 3.77Å; V95-V150 WeakPolarHBondContact CA-O 3.31Å
96L97.9Very high94.9Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-85.3129.7168.8176.368.4000109.3I51 L53 L83 L148 E149 V150 L152 L168I51-L96 HydrophobicContact CG2-CD1 3.9Å; L53-L96 HydrophobicContact CD1-CB 4.27Å; L83-L96 HydrophobicContact CD1-CD1 4.03Å; L83-L96 HydrophobicContact CD1-CD2 4.09Å; L83-L96 HydrophobicContact CD2-CD1 3.91Å; L96-L148 HydrophobicContact CD2-CD2 4.45Å; L96-E149 WeakPolarHBondContact O-CA 3.43Å; L96-V150 PolarHBondContact N-O 3.44Å; L96-V150 PolarHBondContact O-N 3.17Å; L96-L152 HydrophobicContact CB-CD1 3.71Å; L96-L152 HydrophobicContact CB-CG 4.2Å; L96-L168 HydrophobicContact CD2-CB 3.82Å; L96-L168 HydrophobicContact CD2-CD1 4.08Å
97K97.9Very high95.1Very high34 Ų3432.4 Ų32.415%0.14818%0.176CC..EExtended strand (participates in β ladder)trans-127.1140.5178.8-52.8-167.170.4147.20111.3I51 I52 I54 V95 L148 E149I51-K97 CarbonylContact C-O 3.6Å; I51-K97 WeakPolarHBondContact CA-O 3.44Å; I52-K97 PolarHBondContact N-O 3.28Å; I52-K97 PolarHBondContact O-N 2.67Å; I54-K97 HydrophobicContact CD1-CD 3.93Å; V95-K97 HydrophobicContact CG1-CD 4.36Å; V95-K97 HydrophobicContact CG1-CG 3.88Å; K97-L148 CarbonylContact C-O 3.34Å; K97-L148 VanDerWaalsContact CA-O 3.22Å; K97-L148 WeakPolarHBondContact CA-O 3.41Å; K97-E149 HydrophobicContact CD-CG 4.47Å; K97-E149 WeakPolarHBondContact CE-OE1 3.29Å; K97-E149 VanDerWaalsContact CE-OE2 3.31Å; K97-E149 WeakPolarHBondContact CE-OE2 3.38Å; K97-E149 HydrophobicContact CG-CG 4.33Å; K97-E149 IonicContact NZ-OE1 3.72Å; K97-E149 PolarHBondContact NZ-OE1 3.23Å; K97-E149 IonicContact NZ-OE2 3.19Å; K97-E149 PolarHBondContact NZ-OE2 2.82Å
98F98.4Very high95.2Very high3 Ų334.5 Ų34.51%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-113.3119.5156.8173.2-102.2000108.1R50 I51 P100 H146 G147 L148 K175 M176 N179R50-F98 WeakPolarHBondContact O-CA 3.39Å; I51-F98 HydrophobicContact CG1-CD2 3.94Å; F98-P100 HydrophobicContact CE1-CB 4.05Å; F98-P100 HydrophobicContact CZ-CB 4.42Å; F98-H146 WeakPolarHBondContact CD1-O 3.18Å; F98-H146 AromaticContact CE1-CD2 3.69Å; F98-H146 WeakPolarHBondContact CE1-O 3.3Å; F98-G147 VanDerWaalsContact O-CA 3.3Å; F98-G147 WeakPolarHBondContact O-CA 3.37Å; F98-L148 HydrophobicContact CB-CB 3.71Å; F98-L148 PolarHBondContact N-O 3.34Å; F98-L148 PolarHBondContact O-N 3.04Å; F98-K175 HydrophobicContact CB-CD 4.49Å; F98-K175 HydrophobicContact CD1-CB 3.59Å; F98-K175 HydrophobicContact CD1-CD 4.01Å; F98-K175 HydrophobicContact CD1-CG 4.36Å; F98-K175 HydrophobicContact CD2-CB 4.46Å; F98-K175 HydrophobicContact CE1-CB 3.66Å; F98-K175 HydrophobicContact CG-CB 4.01Å; F98-K175 HydrophobicContact CG-CD 4.46Å; F98-K175 HydrophobicContact CZ-CB 4.15Å; F98-M176 HydrophobicContact CD2-CE 4.45Å; F98-M176 HydrophobicContact CE2-CB 3.92Å; F98-M176 HydrophobicContact CE2-CE 3.85Å; F98-M176 HydrophobicContact CE2-SD 3.88Å; F98-N179 HydrophobicContact CE1-CB 4.39Å; F98-N179 HydrophobicContact CZ-CB 3.71Å
99E97.5Very high95.3Very high52 Ų5236 Ų3624%0.24317%0.173CC..EExtended strand (participates in β ladder)trans-108.9123.6174.6-64.4-177.115400108.5G49 R50G49-E99 CarbonylContact C-O 3.5Å; G49-E99 WeakPolarHBondContact CA-O 3.4Å; R50-E99 HydrophobicContact CG-CB 4.12Å; R50-E99 IonicContact CZ-OE2 3.71Å; R50-E99 PolarHBondContact N-O 3.47Å; R50-E99 IonicContact NE-OE2 2.88Å; R50-E99 PolarHBondContact NE-OE2 2.94Å; R50-E99 IonicContact NH2-OE2 3.84Å; R50-E99 PolarHBondContact NH2-OE2 3.11Å; R50-E99 PolarHBondContact O-N 2.94Å
100P97.8Very high95.6Very high22 Ų2231.6 Ų31.614%0.14316%0.161CC..EExtended strand (participates in β ladder)trans-76.8176.8-175.732-35.7000112.3F98 V102 H146 N179F98-P100 HydrophobicContact CE1-CB 4.05Å; F98-P100 HydrophobicContact CZ-CB 4.42Å; P100-V102 PolarHBondContact O-N 2.82Å; P100-H146 HydrophobicContact CB-CB 4.41Å; P100-H146 WeakPolarHBondContact CB-O 3.25Å; P100-H146 WeakPolarHBondContact CD-O 3.43Å; P100-H146 WeakPolarHBondContact CG-O 3.37Å; P100-N179 WeakPolarHBondContact CB-OD1 3.49Å
101F98.3Very high96.1Very high2 Ų235.6 Ų35.61%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-45.8131.8169.9172-105.9000112.1I28 C47 L103 F125 V142 N179 V183 F186I28-F101 HydrophobicContact CB-CE2 4.22Å; I28-F101 HydrophobicContact CD1-CD2 4.43Å; I28-F101 HydrophobicContact CD1-CE2 4.07Å; I28-F101 HydrophobicContact CG2-CD2 3.76Å; I28-F101 HydrophobicContact CG2-CE2 3.66Å; C47-F101 WeakPolarHBondContact O-CA 3.47Å; C47-F101 VanDerWaalsContact O-CD2 3.25Å; C47-F101 WeakPolarHBondContact O-CD2 3.46Å; F101-L103 HydrophobicContact CE1-CB 3.97Å; F101-L103 HydrophobicContact CE2-CB 4.09Å; F101-L103 HydrophobicContact CZ-CB 3.51Å; F101-L103 HydrophobicContact CZ-CD2 3.93Å; F101-L103 HydrophobicContact CZ-CG 4.29Å; F101-F125 HydrophobicContact CB-CE1 4.17Å; F101-F125 HydrophobicContact CB-CZ 4.43Å; F101-F125 HydrophobicContact CD1-CD1 4.23Å; F101-F125 AromaticContact CD1-CE1 3.48Å; F101-F125 HydrophobicContact CD1-CE1 3.48Å; F101-F125 VanDerWaalsContact CD1-CE1 3.48Å; F101-F125 HydrophobicContact CD1-CE2 4.33Å; F101-F125 AromaticContact CD1-CZ 3.52Å; F101-F125 HydrophobicContact CD1-CZ 3.52Å; F101-F125 HydrophobicContact CE1-CE1 4.35Å; F101-F125 HydrophobicContact CE1-CZ 4.16Å; F101-F125 HydrophobicContact CG-CE1 4.28Å; F101-F125 HydrophobicContact CG-CZ 4.33Å; F101-V142 HydrophobicContact CD1-CG1 4.3Å; F101-V142 HydrophobicContact CE1-CB 4.27Å; F101-V142 HydrophobicContact CE1-CG1 3.77Å; F101-N179 VanDerWaalsContact CB-OD1 3.3Å; F101-N179 WeakPolarHBondContact CB-OD1 3.47Å; F101-N179 PolarHBondContact N-OD1 3.49Å; F101-V183 HydrophobicContact CB-CG2 3.66Å; F101-V183 HydrophobicContact CD1-CG2 4.07Å; F101-V183 HydrophobicContact CD2-CG2 3.78Å; F101-V183 HydrophobicContact CE2-CG2 4.4Å; F101-V183 HydrophobicContact CG-CG2 3.56Å; F101-F186 HydrophobicContact CE1-CD1 4.45Å
102V98.1Very high96.7Very high28 Ų2830.6 Ų30.617%0.1714%0.144CC..EExtended strand (participates in β ladder)trans-136.6140.2172.359.30000109.7S46 C47 P100 V142 R143S46-V102 CarbonylContact C-O 3.59Å; S46-V102 VanDerWaalsContact CA-O 3.3Å; S46-V102 WeakPolarHBondContact CA-O 3.38Å; C47-V102 HydrophobicContact CB-CG1 3.88Å; C47-V102 PolarHBondContact N-O 2.81Å; C47-V102 PolarHBondContact O-N 3.47Å; P100-V102 PolarHBondContact O-N 2.82Å; V102-V142 WeakPolarHBondContact CA-O 3.38Å; V102-R143 HydrophobicContact CG2-CG 4.07Å
103L98.4Very high97.1Very high0 Ų030.5 Ų30.50%014%0.144CC..EExtended strand (participates in β ladder)trans-145.8132.7179.1172.172.2000109.8V31 L35 T43 F101 V105 A141 V142 F186V31-L103 HydrophobicContact CG1-CD2 4.2Å; L35-L103 HydrophobicContact CD1-CD2 3.58Å; T43-L103 HydrophobicContact CG2-CD1 3.85Å; F101-L103 HydrophobicContact CE1-CB 3.97Å; F101-L103 HydrophobicContact CE2-CB 4.09Å; F101-L103 HydrophobicContact CZ-CB 3.51Å; F101-L103 HydrophobicContact CZ-CD2 3.93Å; F101-L103 HydrophobicContact CZ-CG 4.29Å; L103-V105 HydrophobicContact CD1-CG2 4.16Å; L103-V105 HydrophobicContact CD2-CG2 3.75Å; L103-V105 HydrophobicContact CG-CG2 3.67Å; L103-A141 CarbonylContact O-C 3.55Å; L103-A141 WeakPolarHBondContact O-CA 3.47Å; L103-V142 HydrophobicContact CB-CB 4.2Å; L103-V142 HydrophobicContact CD2-CG2 4.37Å; L103-V142 PolarHBondContact N-O 3.39Å; L103-V142 PolarHBondContact O-N 2.88Å; L103-F186 HydrophobicContact CD2-CE1 4.11Å; L103-F186 HydrophobicContact CD2-CZ 4.35Å
104H98.3Very high97.4Very high28 Ų2832.4 Ų32.413%0.1315%0.151CC..EExtended strand (participates in β ladder)trans-113.3128.1171.6-62.798.2000109.7T43 T44 S45 V139 S140T43-H104 WeakPolarHBondContact CA-O 3.44Å; T44-H104 PolarHBondContact N-O 2.83Å; T44-H104 VanDerWaalsContact OG1-CB 3.24Å; T44-H104 WeakPolarHBondContact OG1-CB 3.21Å; T44-H104 PolarHBondContact OG1-O 3.46Å; S45-H104 PolarHBondContact O-N 3.43Å; S45-H104 PolarHBondContact OG-ND1 2.88Å; H104-V139 HydrophobicContact CB-CG1 4.33Å; H104-S140 WeakPolarHBondContact CA-O 3.24Å
105V98.4Very high97.6Very high0 Ų034.3 Ų34.30%016%0.161CC..EExtended strand (participates in β ladder)trans-129.3122-176.6-171.20000108.9L35 F41 F42 L103 L116 V139 S140L35-V105 HydrophobicContact CD1-CG2 3.82Å; L35-V105 HydrophobicContact CD2-CG1 4.5Å; F41-V105 HydrophobicContact CB-CG1 3.82Å; F41-V105 HydrophobicContact CD1-CG1 4.01Å; F41-V105 HydrophobicContact CG-CG1 4.19Å; F42-V105 CarbonylContact O-C 3.6Å; F42-V105 WeakPolarHBondContact O-CA 3.46Å; F42-V105 WeakPolarHBondContact O-CG1 3.43Å; L103-V105 HydrophobicContact CD1-CG2 4.16Å; L103-V105 HydrophobicContact CD2-CG2 3.75Å; L103-V105 HydrophobicContact CG-CG2 3.67Å; V105-L116 HydrophobicContact CB-CD2 3.58Å; V105-L116 HydrophobicContact CG1-CD2 3.79Å; V105-L116 HydrophobicContact CG2-CD2 3.74Å; V105-V139 CarbonylContact O-C 3.52Å; V105-V139 WeakPolarHBondContact O-CA 3.4Å; V105-S140 PolarHBondContact N-O 2.98Å; V105-S140 PolarHBondContact O-N 3.2Å
106Q97.9Very high97.7Very high17 Ų1733 Ų338%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-80.5129.7168.6-169.7171.7-38.200109.4F5 F42 T44 K137 I138F5-Q106 HydrophobicContact CE2-CG 4.16Å; F42-Q106 HydrophobicContact CD1-CB 4.13Å; F42-Q106 HydrophobicContact CD2-CB 4.34Å; F42-Q106 HydrophobicContact CE1-CB 3.62Å; F42-Q106 HydrophobicContact CE1-CG 3.8Å; F42-Q106 HydrophobicContact CE2-CB 3.85Å; F42-Q106 HydrophobicContact CG-CB 4.47Å; F42-Q106 HydrophobicContact CZ-CB 3.47Å; F42-Q106 VanDerWaalsContact CZ-CB 3.47Å; F42-Q106 HydrophobicContact CZ-CG 3.75Å; F42-Q106 VanDerWaalsContact CZ-OE1 3.22Å; F42-Q106 PolarHBondContact N-O 3.12Å; F42-Q106 PolarHBondContact O-N 2.77Å; T44-Q106 HydrophobicContact CG2-CB 4.15Å; Q106-K137 HydrophobicContact CG-CG 4.38Å; Q106-K137 VanDerWaalsContact OE1-CE 3.3Å; Q106-I138 WeakPolarHBondContact CA-O 3.42Å; Q106-I138 WeakPolarHBondContact CG-O 3.48Å
107C97.8Very high97.7Very high3 Ų335.7 Ų35.72%0.0217%0.165CC..EExtended strand (participates in β ladder)trans-108.3144.7-175.2-56.10000110.2F5 Q40 F41 D112 A113 I138F5-C107 VanDerWaalsContact CE2-C 3.43Å; F5-C107 WeakPolarHBondContact CE2-O 3.43Å; Q40-C107 CarbonylContact O-C 3.47Å; Q40-C107 WeakPolarHBondContact O-CA 3.41Å; F41-C107 HydrophobicContact CD1-CB 4.33Å; F41-C107 HydrophobicContact CE1-CB 4.36Å; C107-D112 HydrophobicContact CB-CB 4.4Å; C107-A113 HydrophobicContact CB-CB 3.75Å; C107-I138 HydrophobicContact CB-CG2 4.33Å; C107-I138 PolarHBondContact N-O 3.18Å
108R95.7Very high97.7Very high62 Ų6236.8 Ų36.823%0.23418%0.177CC..SBendtrans-69.8-43.3-178.9-173.8-177.4-171.3159.3146.9111.6D2 F5 E39 Q40D2-R108 IonicContact OD1-CZ 3.06Å; D2-R108 IonicContact OD1-NE 2.89Å; D2-R108 PolarHBondContact OD1-NE 2.87Å; D2-R108 IonicContact OD1-NH1 2.7Å; D2-R108 PolarHBondContact OD1-NH1 2.8Å; D2-R108 IonicContact OD2-CZ 3.88Å; D2-R108 IonicContact OD2-NH1 2.86Å; D2-R108 PolarHBondContact OD2-NH1 2.83Å; F5-R108 HydrophobicContact CB-CG 4.33Å; F5-R108 HydrophobicContact CD1-CB 3.99Å; F5-R108 HydrophobicContact CD1-CG 3.98Å; F5-R108 HydrophobicContact CD2-CB 4.13Å; F5-R108 HydrophobicContact CD2-CG 4.35Å; F5-R108 HydrophobicContact CE1-CB 3.89Å; F5-R108 HydrophobicContact CE1-CG 4.38Å; F5-R108 VanDerWaalsContact CE2-CA 3.45Å; F5-R108 HydrophobicContact CE2-CB 4.01Å; F5-R108 HydrophobicContact CG-CB 4.11Å; F5-R108 HydrophobicContact CG-CG 3.96Å; F5-R108 HydrophobicContact CZ-CB 3.89Å; E39-R108 IonicContact OE2-NH2 3.43Å; E39-R108 PolarHBondContact OE2-NH2 3.47Å; Q40-R108 HydrophobicContact CB-CB 4.32Å; Q40-R108 PolarHBondContact O-N 2.81Å
109R95.8Very high97.7Very high128 Ų12837.1 Ų37.148%0.48318%0.179SC..SBendtrans-132.3169.2179.8-48.2173.1-68.1172.85.3111.5E111 D112 A113R109-E111 VanDerWaalsContact C-N 3.31Å; R109-E111 WeakPolarHBondContact CB-OE2 3.46Å; R109-D112 VanDerWaalsContact CB-OD2 3.27Å; R109-D112 WeakPolarHBondContact CB-OD2 3.26Å; R109-D112 WeakPolarHBondContact CG-OD2 3.17Å; R109-D112 IonicContact CZ-OD1 3.46Å; R109-D112 PolarHBondContact N-OD2 2.89Å; R109-D112 IonicContact NE-OD1 3.28Å; R109-D112 PolarHBondContact NE-OD1 3.42Å; R109-D112 IonicContact NE-OD2 3.24Å; R109-D112 PolarHBondContact NE-OD2 3.45Å; R109-D112 IonicContact NH2-OD1 2.78Å; R109-D112 PolarHBondContact NH2-OD1 2.84Å; R109-D112 PolarHBondContact O-N 2.87Å; R109-A113 PolarHBondContact O-N 2.87Å
110L96.4Very high97.8Very high72 Ų7234.7 Ų34.738%0.37717%0.168SC..Hα-helixtrans-67.3-35.7179.3-178.360.1000111.4D112 A113 Q114 L130 I138L110-D112 VanDerWaalsContact C-N 3.35Å; L110-A113 WeakPolarHBondContact O-CB 3.47Å; L110-A113 PolarHBondContact O-N 3.07Å; L110-Q114 HydrophobicContact CD1-CG 4.48Å; L110-Q114 HydrophobicContact CG-CG 4.39Å; L110-Q114 WeakPolarHBondContact O-CB 3.43Å; L110-Q114 VanDerWaalsContact O-CG 3.28Å; L110-Q114 WeakPolarHBondContact O-CG 3.38Å; L110-Q114 PolarHBondContact O-N 3.11Å; L110-L130 HydrophobicContact CD1-CD1 4.41Å; L110-I138 HydrophobicContact CB-CD1 4.09Å
111E96.7Very high97.8Very high105 Ų10535.2 Ų35.249%0.49117%0.17SC..Hα-helixtrans-63.8-42.5178.5-57.474.7-160.700110.7R109 A113 Q114 L115R109-E111 VanDerWaalsContact C-N 3.31Å; R109-E111 WeakPolarHBondContact CB-OE2 3.46Å; E111-A113 VanDerWaalsContact C-N 3.28Å; E111-A113 PolarHBondContact O-N 2.84Å; E111-Q114 PolarHBondContact O-N 3.31Å; E111-L115 PolarHBondContact O-N 3.43Å
112D97.3Very high97.7Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-62.5-39.7176.5-45.4-40.8000110.4Q40 F41 C107 R109 L110 L115 L116Q40-D112 HydrophobicContact CB-CB 4.08Å; Q40-D112 HydrophobicContact CG-CB 4.23Å; F41-D112 HydrophobicContact CE1-CB 3.65Å; F41-D112 WeakPolarHBondContact CE1-O 3.48Å; F41-D112 HydrophobicContact CZ-CB 3.96Å; F41-D112 WeakPolarHBondContact CZ-O 3.4Å; C107-D112 HydrophobicContact CB-CB 4.4Å; R109-D112 VanDerWaalsContact CB-OD2 3.27Å; R109-D112 WeakPolarHBondContact CB-OD2 3.26Å; R109-D112 WeakPolarHBondContact CG-OD2 3.17Å; R109-D112 IonicContact CZ-OD1 3.46Å; R109-D112 PolarHBondContact N-OD2 2.89Å; R109-D112 IonicContact NE-OD1 3.28Å; R109-D112 PolarHBondContact NE-OD1 3.42Å; R109-D112 IonicContact NE-OD2 3.24Å; R109-D112 PolarHBondContact NE-OD2 3.45Å; R109-D112 IonicContact NH2-OD1 2.78Å; R109-D112 PolarHBondContact NH2-OD1 2.84Å; R109-D112 PolarHBondContact O-N 2.87Å; L110-D112 VanDerWaalsContact C-N 3.35Å; D112-L115 PolarHBondContact O-N 3.24Å; D112-L116 PolarHBondContact O-N 2.83Å; D112-L116 VanDerWaalsContact O-N 3.07Å
113A98Very high97.7Very high0 Ų039.1 Ų39.10%019%0.19CC..Hα-helixtrans-68-39.9176.100000112.5C107 R109 L110 E111 L116 H117 L130 I138C107-A113 HydrophobicContact CB-CB 3.75Å; R109-A113 PolarHBondContact O-N 2.87Å; L110-A113 WeakPolarHBondContact O-CB 3.47Å; L110-A113 PolarHBondContact O-N 3.07Å; E111-A113 VanDerWaalsContact C-N 3.28Å; E111-A113 PolarHBondContact O-N 2.84Å; A113-L116 PolarHBondContact O-N 3.4Å; A113-H117 VanDerWaalsContact O-CB 3.28Å; A113-H117 WeakPolarHBondContact O-CB 3.32Å; A113-H117 PolarHBondContact O-N 3.03Å; A113-L130 HydrophobicContact CB-CD1 4.05Å; A113-L130 HydrophobicContact CB-CD2 3.86Å; A113-I138 HydrophobicContact CB-CG2 3.52Å
114Q98.1Very high97.6Very high97 Ų9739.8 Ų39.845%0.45320%0.198SC..Hα-helixtrans-64.9-39.4175.4-74.5169.8-18.900111.8L110 E111 S118 L130L110-Q114 HydrophobicContact CD1-CG 4.48Å; L110-Q114 HydrophobicContact CG-CG 4.39Å; L110-Q114 WeakPolarHBondContact O-CB 3.43Å; L110-Q114 VanDerWaalsContact O-CG 3.28Å; L110-Q114 WeakPolarHBondContact O-CG 3.38Å; L110-Q114 PolarHBondContact O-N 3.11Å; E111-Q114 PolarHBondContact O-N 3.31Å; Q114-S118 WeakPolarHBondContact O-CB 3.33Å; Q114-S118 PolarHBondContact O-N 3Å; Q114-S118 PolarHBondContact O-OG 2.72Å; Q114-L130 HydrophobicContact CG-CD1 4.44Å
115L98Very high97.6Very high40 Ų4038.5 Ų38.521%0.20919%0.192CC..Hα-helixtrans-58.4-55.2172.4-178.277.4000110.2E111 D112 H117 S118 V119 A193 E197E111-L115 PolarHBondContact O-N 3.43Å; D112-L115 PolarHBondContact O-N 3.24Å; L115-H117 VanDerWaalsContact C-N 3.31Å; L115-H117 PolarHBondContact O-N 3.01Å; L115-S118 WeakPolarHBondContact O-CB 3.3Å; L115-S118 PolarHBondContact O-N 3.38Å; L115-S118 VanDerWaalsContact O-N 3.12Å; L115-V119 WeakPolarHBondContact O-CG2 3.47Å; L115-V119 PolarHBondContact O-N 3.36Å; L115-A193 HydrophobicContact CD1-CB 4.09Å; L115-A193 HydrophobicContact CD2-CB 4.33Å; L115-A193 HydrophobicContact CG-CB 4.31Å; L115-E197 VanDerWaalsContact CD2-CD 3.48Å; L115-E197 HydrophobicContact CD2-CG 4.08Å
116L98.4Very high97.5Very high0 Ų046.2 Ų46.20%022%0.221CC..Hα-helixtrans-61.4-40.2-178.1-176.559.8000111.9L35 F41 V105 D112 A113 V119 A120 F186 L190L35-L116 HydrophobicContact CD2-CD1 4.2Å; F41-L116 HydrophobicContact CD1-CD2 4.45Å; F41-L116 HydrophobicContact CE1-CB 4.27Å; F41-L116 HydrophobicContact CE1-CD2 4.38Å; F41-L116 HydrophobicContact CZ-CB 4.41Å; V105-L116 HydrophobicContact CB-CD2 3.58Å; V105-L116 HydrophobicContact CG1-CD2 3.79Å; V105-L116 HydrophobicContact CG2-CD2 3.74Å; D112-L116 PolarHBondContact O-N 2.83Å; D112-L116 VanDerWaalsContact O-N 3.07Å; A113-L116 PolarHBondContact O-N 3.4Å; L116-V119 PolarHBondContact O-N 3Å; L116-A120 VanDerWaalsContact O-CB 3.3Å; L116-A120 WeakPolarHBondContact O-CB 3.41Å; L116-A120 PolarHBondContact O-N 3.47Å; L116-F186 HydrophobicContact CD1-CE2 4.12Å; L116-F186 HydrophobicContact CD1-CZ 3.81Å; L116-L190 HydrophobicContact CD1-CD1 3.92Å
117H98.5Very high97.4Very high57 Ų5748.8 Ų48.826%0.26424%0.235SC..Hα-helixtrans-61.9-45174177.775.1000111.9A113 L115 V119 A120 V121 S128 L130A113-H117 VanDerWaalsContact O-CB 3.28Å; A113-H117 WeakPolarHBondContact O-CB 3.32Å; A113-H117 PolarHBondContact O-N 3.03Å; L115-H117 VanDerWaalsContact C-N 3.31Å; L115-H117 PolarHBondContact O-N 3.01Å; H117-V119 PolarHBondContact O-N 3.36Å; H117-A120 WeakPolarHBondContact O-CB 3.27Å; H117-A120 PolarHBondContact O-N 2.99Å; H117-V121 WeakPolarHBondContact O-CB 3.25Å; H117-V121 WeakPolarHBondContact O-CG2 3.45Å; H117-V121 PolarHBondContact O-N 3.27Å; H117-S128 PolarHBondContact CE1-O 3.26Å; H117-S128 VanDerWaalsContact CE1-O 3.25Å; H117-L130 HydrophobicContact CB-CD1 4.49Å; H117-L130 HydrophobicContact CB-CD2 4.07Å; H117-L130 HydrophobicContact CB-CG 4.34Å
118S98.3Very high97.4Very high57 Ų5749.2 Ų49.240%0.39924%0.238SC..Hα-helixtrans-62.9-44.4178.4-59.50000111.4Q114 L115 A120 V121 N122Q114-S118 WeakPolarHBondContact O-CB 3.33Å; Q114-S118 PolarHBondContact O-N 3Å; Q114-S118 PolarHBondContact O-OG 2.72Å; L115-S118 WeakPolarHBondContact O-CB 3.3Å; L115-S118 PolarHBondContact O-N 3.38Å; L115-S118 VanDerWaalsContact O-N 3.12Å; S118-A120 PolarHBondContact O-N 3.22Å; S118-V121 PolarHBondContact O-N 2.95Å; S118-N122 VanDerWaalsContact O-CB 3.26Å; S118-N122 WeakPolarHBondContact O-CB 3.48Å; S118-N122 PolarHBondContact O-N 3.5Å; S118-N122 PolarHBondContact O-ND2 2.76Å
119V98.5Very high97.5Very high10 Ų1047.1 Ų47.16%0.06124%0.236CC..Hα-helixtrans-58-48.1173.2169.90000110.7L115 L116 H117 N122 S123 F186 N189 L190 A193L115-V119 WeakPolarHBondContact O-CG2 3.47Å; L115-V119 PolarHBondContact O-N 3.36Å; L116-V119 PolarHBondContact O-N 3Å; H117-V119 PolarHBondContact O-N 3.36Å; V119-N122 PolarHBondContact O-N 3.08Å; V119-S123 VanDerWaalsContact O-CB 3.27Å; V119-S123 WeakPolarHBondContact O-CB 3.27Å; V119-S123 PolarHBondContact O-N 3.03Å; V119-S123 PolarHBondContact O-OG 3.29Å; V119-F186 HydrophobicContact CG1-CD2 3.82Å; V119-F186 HydrophobicContact CG1-CE2 3.76Å; V119-N189 HydrophobicContact CG1-CB 3.88Å; V119-L190 HydrophobicContact CG1-CB 3.94Å; V119-A193 HydrophobicContact CG2-CB 3.6Å
120A98.4Very high97.6Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-60.6-52.4179.400000112.1L116 H117 S118 N122 S123 G124 F125 V142 F186L116-A120 VanDerWaalsContact O-CB 3.3Å; L116-A120 WeakPolarHBondContact O-CB 3.41Å; L116-A120 PolarHBondContact O-N 3.47Å; H117-A120 WeakPolarHBondContact O-CB 3.27Å; H117-A120 PolarHBondContact O-N 2.99Å; S118-A120 PolarHBondContact O-N 3.22Å; A120-N122 PolarHBondContact O-N 2.97Å; A120-S123 PolarHBondContact O-N 3.35Å; A120-S123 VanDerWaalsContact O-N 3.08Å; A120-G124 PolarHBondContact O-N 2.85Å; A120-F125 HydrophobicContact CB-CB 4.26Å; A120-F125 WeakPolarHBondContact O-CB 3.43Å; A120-F125 PolarHBondContact O-N 3.3Å; A120-V142 HydrophobicContact CB-CB 4.41Å; A120-V142 HydrophobicContact CB-CG1 3.88Å; A120-V142 HydrophobicContact CB-CG2 3.94Å; A120-F186 HydrophobicContact CB-CD2 4.4Å; A120-F186 HydrophobicContact CB-CE2 4.01Å
121V98.1Very high97.7Very high33 Ų3344.9 Ų44.920%0.224%0.237CC..Hα-helixtrans-55.1-55.3177.2169.30000108.8H117 S118 S123 G124 R126H117-V121 WeakPolarHBondContact O-CB 3.25Å; H117-V121 WeakPolarHBondContact O-CG2 3.45Å; H117-V121 PolarHBondContact O-N 3.27Å; S118-V121 PolarHBondContact O-N 2.95Å; V121-S123 PolarHBondContact O-N 2.93Å; V121-G124 PolarHBondContact O-N 3.37Å; V121-R126 PolarHBondContact O-NH1 3.05Å
122N97.4Very high97.7Very high112 Ų11244.3 Ų44.360%0.59924%0.241SC*.Hα-helixtrans-61.1-21.2-178.8-69.3-23.6000113.8S118 V119 A120S118-N122 VanDerWaalsContact O-CB 3.26Å; S118-N122 WeakPolarHBondContact O-CB 3.48Å; S118-N122 PolarHBondContact O-N 3.5Å; S118-N122 PolarHBondContact O-ND2 2.76Å; V119-N122 PolarHBondContact O-N 3.08Å; A120-N122 PolarHBondContact O-N 2.97Å
123S97.9Very high97.4Very high0 Ų045.7 Ų45.70%026%0.255CS..THydrogen-bonded Turntrans-88.40.3176.6-53.30000114V119 A120 V121 R185 F186 N189V119-S123 VanDerWaalsContact O-CB 3.27Å; V119-S123 WeakPolarHBondContact O-CB 3.27Å; V119-S123 PolarHBondContact O-N 3.03Å; V119-S123 PolarHBondContact O-OG 3.29Å; A120-S123 PolarHBondContact O-N 3.35Å; A120-S123 VanDerWaalsContact O-N 3.08Å; V121-S123 PolarHBondContact O-N 2.93Å; S123-R185 VanDerWaalsContact O-CZ 3.27Å; S123-R185 PolarHBondContact O-NE 3.4Å; S123-R185 PolarHBondContact O-NH2 3.33Å; S123-F186 VanDerWaalsContact OG-CA 3.3Å; S123-F186 WeakPolarHBondContact OG-CA 3.35Å; S123-N189 PolarHBondContact OG-ND2 3.33Å
124G96.1Very high97Very high15 Ų1556.3 Ų56.316%0.15530%0.301CS..THydrogen-bonded Turntrans101.25.517700000114.5A120 V121 R126A120-G124 PolarHBondContact O-N 2.85Å; V121-G124 PolarHBondContact O-N 3.37Å; G124-R126 VanDerWaalsContact C-N 3.33Å; G124-R126 PolarHBondContact O-N 2.99Å
125F98.1Very high96.5Very high0 Ų058.1 Ų58.10%032%0.319CS..  trans-92.163.9175.3-62-79.8000110.3F101 A120 N127 S128 V142 R143 R182 V183 F186F101-F125 HydrophobicContact CB-CE1 4.17Å; F101-F125 HydrophobicContact CB-CZ 4.43Å; F101-F125 HydrophobicContact CD1-CD1 4.23Å; F101-F125 AromaticContact CD1-CE1 3.48Å; F101-F125 HydrophobicContact CD1-CE1 3.48Å; F101-F125 VanDerWaalsContact CD1-CE1 3.48Å; F101-F125 HydrophobicContact CD1-CE2 4.33Å; F101-F125 AromaticContact CD1-CZ 3.52Å; F101-F125 HydrophobicContact CD1-CZ 3.52Å; F101-F125 HydrophobicContact CE1-CE1 4.35Å; F101-F125 HydrophobicContact CE1-CZ 4.16Å; F101-F125 HydrophobicContact CG-CE1 4.28Å; F101-F125 HydrophobicContact CG-CZ 4.33Å; A120-F125 HydrophobicContact CB-CB 4.26Å; A120-F125 WeakPolarHBondContact O-CB 3.43Å; A120-F125 PolarHBondContact O-N 3.3Å; F125-N127 PolarHBondContact O-N 2.94Å; F125-S128 VanDerWaalsContact CB-OG 3.29Å; F125-S128 WeakPolarHBondContact CB-OG 3.46Å; F125-S128 VanDerWaalsContact O-CB 3.24Å; F125-S128 WeakPolarHBondContact O-CB 3.24Å; F125-S128 PolarHBondContact O-N 3.44Å; F125-S128 VanDerWaalsContact O-N 3.15Å; F125-S128 PolarHBondContact O-OG 2.98Å; F125-V142 HydrophobicContact CB-CG1 3.74Å; F125-V142 HydrophobicContact CD1-CG1 3.95Å; F125-V142 HydrophobicContact CD2-CG1 3.87Å; F125-V142 HydrophobicContact CE2-CG1 4.5Å; F125-V142 HydrophobicContact CG-CG1 3.57Å; F125-R143 CarbonylContact C-O 3.56Å; F125-R143 VanDerWaalsContact CA-O 3.31Å; F125-R143 WeakPolarHBondContact CA-O 3.29Å; F125-R143 VanDerWaalsContact CB-O 3.32Å; F125-R143 WeakPolarHBondContact CB-O 3.44Å; F125-R182 HydrophobicContact CE1-CB 4.36Å; F125-R182 HydrophobicContact CE2-CB 3.92Å; F125-R182 HydrophobicContact CZ-CB 3.61Å; F125-V183 HydrophobicContact CZ-CG2 4.44Å; F125-F186 HydrophobicContact CD2-CB 4.27Å; F125-F186 HydrophobicContact CD2-CD2 4.45Å; F125-F186 HydrophobicContact CE2-CB 3.73Å; F125-F186 HydrophobicContact CE2-CG 4.27Å
126R95.1Very high95.9Very high162 Ų16258.6 Ų58.661%0.61133%0.333SS*.THydrogen-bonded Turntrans-66.8-17.2-172.9-61.7-60.3-154.3-104.82.9114.2V121 G124 S128V121-R126 PolarHBondContact O-NH1 3.05Å; G124-R126 VanDerWaalsContact C-N 3.33Å; G124-R126 PolarHBondContact O-N 2.99Å; R126-S128 VanDerWaalsContact C-N 3.29Å
127N97Very high95.7Very high72 Ų7262.5 Ų62.539%0.38535%0.35SS..THydrogen-bonded Turntrans-92.911.2177.7-63.285.9000113F125 R143 T145F125-N127 PolarHBondContact O-N 2.94Å; N127-R143 HydrophobicContact CB-CB 4.45Å; N127-R143 PolarHBondContact O-NE 3.38Å; N127-T145 VanDerWaalsContact ND2-CG2 3.26Å; N127-T145 WeakPolarHBondContact ND2-CG2 3.45Å; N127-T145 WeakPolarHBondContact OD1-CB 3.37Å; N127-T145 WeakPolarHBondContact OD1-CG2 3.34Å; N127-T145 PolarHBondContact OD1-N 2.8Å; N127-T145 PolarHBondContact OD1-OG1 2.83Å
128S98.3Very high95.7Very high11 Ų1160.6 Ų60.68%0.07734%0.342CS..  trans-67150.8173.9-56.60000110.6H117 F125 R126 A141 V142 R143H117-S128 PolarHBondContact CE1-O 3.26Å; H117-S128 VanDerWaalsContact CE1-O 3.25Å; F125-S128 VanDerWaalsContact CB-OG 3.29Å; F125-S128 WeakPolarHBondContact CB-OG 3.46Å; F125-S128 VanDerWaalsContact O-CB 3.24Å; F125-S128 WeakPolarHBondContact O-CB 3.24Å; F125-S128 PolarHBondContact O-N 3.44Å; F125-S128 VanDerWaalsContact O-N 3.15Å; F125-S128 PolarHBondContact O-OG 2.98Å; R126-S128 VanDerWaalsContact C-N 3.29Å; S128-A141 CarbonylContact C-O 3.57Å; S128-A141 WeakPolarHBondContact CA-O 3.35Å; S128-A141 WeakPolarHBondContact CB-O 3.23Å; S128-V142 WeakPolarHBondContact OG-CA 3.33Å; S128-R143 PolarHBondContact OG-N 3.22Å; S128-R143 VanDerWaalsContact OG-N 3.15Å
129G97.6Very high95.7Very high19 Ų1959 Ų5920%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-155.7167.3-176.900000112.6A141G129-A141 PolarHBondContact N-O 3.04Å; G129-A141 PolarHBondContact O-N 2.9Å
130L97.9Very high95.7Very high61 Ų6158.5 Ų58.532%0.31933%0.327SS..EExtended strand (participates in β ladder)trans-115136.1178.7-58.2-176.5000109.7L110 A113 Q114 H117 V139 S140L110-L130 HydrophobicContact CD1-CD1 4.41Å; A113-L130 HydrophobicContact CB-CD1 4.05Å; A113-L130 HydrophobicContact CB-CD2 3.86Å; Q114-L130 HydrophobicContact CG-CD1 4.44Å; H117-L130 HydrophobicContact CB-CD1 4.49Å; H117-L130 HydrophobicContact CB-CD2 4.07Å; H117-L130 HydrophobicContact CB-CG 4.34Å; L130-V139 CarbonylContact C-O 3.56Å; L130-V139 WeakPolarHBondContact CA-O 3.3Å; L130-S140 WeakPolarHBondContact CD2-OG 3.16Å
131T97.6Very high95.7Very high92 Ų9258.7 Ų58.756%0.56433%0.328SS*.EExtended strand (participates in β ladder)trans-114.7125.2170.5-58.50000108.7I138 V139T131-I138 WeakPolarHBondContact O-CA 3.34Å; T131-V139 PolarHBondContact N-O 2.93Å; T131-V139 PolarHBondContact O-N 3.44Å
132V96.6Very high95.7Very high93 Ų9357.1 Ų57.156%0.56432%0.319SS*.EExtended strand (participates in β ladder)trans-112.7108.4175.5-175.10000108.5I138V132-I138 HydrophobicContact CG1-CG1 4.35Å; V132-I138 HydrophobicContact CG2-CG1 4.4Å; V132-I138 HydrophobicContact CG2-CG2 4.47Å
133G91.6Very high95.7Very high29 Ų2956.8 Ų56.830%0.29931%0.309SS..  trans-76.5158.9178.200000112.6T135 G136 K137G133-T135 PolarHBondContact O-N 2.81Å; G133-T135 VanDerWaalsContact O-N 3.11Å; G133-G136 PolarHBondContact O-N 3.36Å; G133-K137 PolarHBondContact N-O 3.38Å
134K88.7Confident95.5Very high223 Ų22357.7 Ų57.797%0.9732%0.315SS*.THydrogen-bonded Turntrans-57.2-27.5178.7-63.7-179.9-178.8175.70113.6G136K134-G136 VanDerWaalsContact C-N 3.26Å; K134-G136 PolarHBondContact O-N 2.91Å
135T87.4Confident95.4Very high134 Ų13462.1 Ų62.182%0.82234%0.34SS*.THydrogen-bonded Turntrans-84.85178.655.80000113.5G133 K137G133-T135 PolarHBondContact O-N 2.81Å; G133-T135 VanDerWaalsContact O-N 3.11Å; T135-K137 VanDerWaalsContact C-N 3.32Å
136G87.3Confident95.2Very high50 Ų5063.5 Ų63.552%0.51535%0.346SS..SBendtrans80.38.2-175.300000114.2G133 K134 I138G133-G136 PolarHBondContact O-N 3.36Å; K134-G136 VanDerWaalsContact C-N 3.26Å; K134-G136 PolarHBondContact O-N 2.91Å; G136-I138 PolarHBondContact O-N 3.23Å
137K93.8Very high95.2Very high82 Ų8257.3 Ų57.336%0.35733%0.333SS..  trans-67.1117.9172.4-179.2-177.5178.4-176.40109.7Q106 G133 T135 V139Q106-K137 HydrophobicContact CG-CG 4.38Å; Q106-K137 VanDerWaalsContact OE1-CE 3.3Å; G133-K137 PolarHBondContact N-O 3.38Å; T135-K137 VanDerWaalsContact C-N 3.32Å; K137-V139 HydrophobicContact CD-CG2 4.39Å; K137-V139 HydrophobicContact CG-CG2 4.12Å
138I97.7Very high95.3Very high18 Ų1855.3 Ų55.39%0.09232%0.322CS..EExtended strand (participates in β ladder)trans-108.6120.5178.5-55.1171.4000108.8Q106 C107 L110 A113 T131 V132 G136Q106-I138 WeakPolarHBondContact CA-O 3.42Å; Q106-I138 WeakPolarHBondContact CG-O 3.48Å; C107-I138 HydrophobicContact CB-CG2 4.33Å; C107-I138 PolarHBondContact N-O 3.18Å; L110-I138 HydrophobicContact CB-CD1 4.09Å; A113-I138 HydrophobicContact CB-CG2 3.52Å; T131-I138 WeakPolarHBondContact O-CA 3.34Å; V132-I138 HydrophobicContact CG1-CG1 4.35Å; V132-I138 HydrophobicContact CG2-CG1 4.4Å; V132-I138 HydrophobicContact CG2-CG2 4.47Å; G136-I138 PolarHBondContact O-N 3.23Å
139V97.9Very high95.2Very high23 Ų2360.5 Ų60.514%0.13935%0.345CS..EExtended strand (participates in β ladder)trans-119.5125.4177.5-178.50000109.3H104 V105 L130 T131 K137H104-V139 HydrophobicContact CB-CG1 4.33Å; V105-V139 CarbonylContact O-C 3.52Å; V105-V139 WeakPolarHBondContact O-CA 3.4Å; L130-V139 CarbonylContact C-O 3.56Å; L130-V139 WeakPolarHBondContact CA-O 3.3Å; T131-V139 PolarHBondContact N-O 2.93Å; T131-V139 PolarHBondContact O-N 3.44Å; K137-V139 HydrophobicContact CD-CG2 4.39Å; K137-V139 HydrophobicContact CG-CG2 4.12Å
140S98.3Very high95.2Very high0 Ų060.6 Ų60.60%034%0.341CS..EExtended strand (participates in β ladder)trans-94.1128.2167.9-173.60000109.4H104 V105 L130H104-S140 WeakPolarHBondContact CA-O 3.24Å; V105-S140 PolarHBondContact N-O 2.98Å; V105-S140 PolarHBondContact O-N 3.2Å; L130-S140 WeakPolarHBondContact CD2-OG 3.16Å
141A98.4Very high95.1Very high4 Ų461.9 Ų61.93%0.03335%0.354CS..EExtended strand (participates in β ladder)trans-108.5116.8174.600000109L103 S128 G129 R143L103-A141 CarbonylContact O-C 3.55Å; L103-A141 WeakPolarHBondContact O-CA 3.47Å; S128-A141 CarbonylContact C-O 3.57Å; S128-A141 WeakPolarHBondContact CA-O 3.35Å; S128-A141 WeakPolarHBondContact CB-O 3.23Å; G129-A141 PolarHBondContact N-O 3.04Å; G129-A141 PolarHBondContact O-N 2.9Å; A141-R143 HydrophobicContact CB-CG 4.4Å
142V98.6Very high95.1Very high0 Ų057.5 Ų57.50%033%0.327CS..EExtended strand (participates in β ladder)trans-91.6115.1173.9-1760000108.5F101 V102 L103 A120 F125 S128 F186F101-V142 HydrophobicContact CD1-CG1 4.3Å; F101-V142 HydrophobicContact CE1-CB 4.27Å; F101-V142 HydrophobicContact CE1-CG1 3.77Å; V102-V142 WeakPolarHBondContact CA-O 3.38Å; L103-V142 HydrophobicContact CB-CB 4.2Å; L103-V142 HydrophobicContact CD2-CG2 4.37Å; L103-V142 PolarHBondContact N-O 3.39Å; L103-V142 PolarHBondContact O-N 2.88Å; A120-V142 HydrophobicContact CB-CB 4.41Å; A120-V142 HydrophobicContact CB-CG1 3.88Å; A120-V142 HydrophobicContact CB-CG2 3.94Å; F125-V142 HydrophobicContact CB-CG1 3.74Å; F125-V142 HydrophobicContact CD1-CG1 3.95Å; F125-V142 HydrophobicContact CD2-CG1 3.87Å; F125-V142 HydrophobicContact CE2-CG1 4.5Å; F125-V142 HydrophobicContact CG-CG1 3.57Å; S128-V142 WeakPolarHBondContact OG-CA 3.33Å; V142-F186 HydrophobicContact CG1-CE2 4.35Å; V142-F186 HydrophobicContact CG2-CE2 4.22Å; V142-F186 HydrophobicContact CG2-CZ 4.04Å
143R97.5Very high94.9Very high105 Ų10553.4 Ų53.440%0.39630%0.302SS..  trans-143.9154.7-171.5-64.9-175.8-62.5-132.61.9112.9V102 F125 N127 S128 A141V102-R143 HydrophobicContact CG2-CG 4.07Å; F125-R143 CarbonylContact C-O 3.56Å; F125-R143 VanDerWaalsContact CA-O 3.31Å; F125-R143 WeakPolarHBondContact CA-O 3.29Å; F125-R143 VanDerWaalsContact CB-O 3.32Å; F125-R143 WeakPolarHBondContact CB-O 3.44Å; N127-R143 HydrophobicContact CB-CB 4.45Å; N127-R143 PolarHBondContact O-NE 3.38Å; S128-R143 PolarHBondContact OG-N 3.22Å; S128-R143 VanDerWaalsContact OG-N 3.15Å; A141-R143 HydrophobicContact CB-CG 4.4Å
144S94.4Very high94.9Very high18 Ų1859.3 Ų59.313%0.12632%0.315CS..  trans-128.2152.7179.6-173.20000111.1H146 R182S144-H146 VanDerWaalsContact C-N 3.28Å; S144-H146 WeakPolarHBondContact OG-CB 3.36Å; S144-H146 PolarHBondContact OG-N 2.9Å; S144-H146 VanDerWaalsContact OG-N 3.12Å; S144-R182 PolarHBondContact OG-NH1 3.33Å; S144-R182 VanDerWaalsContact OG-NH1 3.13Å
145T93.2Very high94.9Very high109 Ų10954.5 Ų54.567%0.66930%0.296SS*.  trans-86.92.516731.10000113.1N127 G147N127-T145 VanDerWaalsContact ND2-CG2 3.26Å; N127-T145 WeakPolarHBondContact ND2-CG2 3.45Å; N127-T145 WeakPolarHBondContact OD1-CB 3.37Å; N127-T145 WeakPolarHBondContact OD1-CG2 3.34Å; N127-T145 PolarHBondContact OD1-N 2.8Å; N127-T145 PolarHBondContact OD1-OG1 2.83Å; T145-G147 PolarHBondContact O-N 2.83Å
146H93.8Very high94.8Very high28 Ų2849.9 Ų49.913%0.1328%0.275CS..  trans-73.269.5-178.5-172.361.8000111.8F98 P100 S144 K175F98-H146 WeakPolarHBondContact CD1-O 3.18Å; F98-H146 AromaticContact CE1-CD2 3.69Å; F98-H146 WeakPolarHBondContact CE1-O 3.3Å; P100-H146 HydrophobicContact CB-CB 4.41Å; P100-H146 WeakPolarHBondContact CB-O 3.25Å; P100-H146 WeakPolarHBondContact CD-O 3.43Å; P100-H146 WeakPolarHBondContact CG-O 3.37Å; S144-H146 VanDerWaalsContact C-N 3.28Å; S144-H146 WeakPolarHBondContact OG-CB 3.36Å; S144-H146 PolarHBondContact OG-N 2.9Å; S144-H146 VanDerWaalsContact OG-N 3.12Å; H146-K175 PolarHBondContact CD2-O 3.35Å; H146-K175 VanDerWaalsContact NE2-CA 3.32Å; H146-K175 WeakPolarHBondContact NE2-CA 3.49Å; H146-K175 PolarHBondContact NE2-O 3.32Å
147G95.9Very high95.1Very high32 Ų3254.7 Ų54.733%0.3328%0.282SS..  trans-110.7172-179.900000113.4F98 T145 K175F98-G147 VanDerWaalsContact O-CA 3.3Å; F98-G147 WeakPolarHBondContact O-CA 3.37Å; T145-G147 PolarHBondContact O-N 2.83Å; G147-K175 WeakPolarHBondContact O-CE 3.26Å; G147-K175 PolarHBondContact O-NZ 3.37Å
148L97.8Very high95.1Very high30 Ų3054 Ų5416%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-138.7137.3163.6-178.364.3000107.1L96 K97 F98 V150 T171 A172 K175L96-L148 HydrophobicContact CD2-CD2 4.45Å; K97-L148 CarbonylContact C-O 3.34Å; K97-L148 VanDerWaalsContact CA-O 3.22Å; K97-L148 WeakPolarHBondContact CA-O 3.41Å; F98-L148 HydrophobicContact CB-CB 3.71Å; F98-L148 PolarHBondContact N-O 3.34Å; F98-L148 PolarHBondContact O-N 3.04Å; L148-V150 HydrophobicContact CD1-CG2 3.59Å; L148-V150 HydrophobicContact CG-CG2 3.91Å; L148-T171 HydrophobicContact CD2-CG2 4.42Å; L148-A172 HydrophobicContact CD2-CB 4.21Å; L148-K175 HydrophobicContact CB-CD 3.8Å
149E97.6Very high95.1Very high121 Ų12158.1 Ų58.157%0.56530%0.303SS*.EExtended strand (participates in β ladder)trans-147114.7172.7-177.2157.7-165.600107.9V95 L96 K97V95-E149 HydrophobicContact CG1-CG 3.77Å; L96-E149 WeakPolarHBondContact O-CA 3.43Å; K97-E149 HydrophobicContact CD-CG 4.47Å; K97-E149 WeakPolarHBondContact CE-OE1 3.29Å; K97-E149 VanDerWaalsContact CE-OE2 3.31Å; K97-E149 WeakPolarHBondContact CE-OE2 3.38Å; K97-E149 HydrophobicContact CG-CG 4.33Å; K97-E149 IonicContact NZ-OE1 3.72Å; K97-E149 PolarHBondContact NZ-OE1 3.23Å; K97-E149 IonicContact NZ-OE2 3.19Å; K97-E149 PolarHBondContact NZ-OE2 2.82Å
150V97.6Very high95Very high20 Ų2058.8 Ų58.812%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-136.1116.7-173.4-172.30000109.5V95 L96 L148 L152 Y164 L168V95-V150 WeakPolarHBondContact CA-O 3.31Å; L96-V150 PolarHBondContact N-O 3.44Å; L96-V150 PolarHBondContact O-N 3.17Å; L148-V150 HydrophobicContact CD1-CG2 3.59Å; L148-V150 HydrophobicContact CG-CG2 3.91Å; V150-L152 HydrophobicContact CB-CD2 4.39Å; V150-L152 HydrophobicContact CG1-CD2 3.9Å; V150-Y164 HydrophobicContact CG1-CE1 4.3Å; V150-L168 HydrophobicContact CB-CD1 4.34Å; V150-L168 HydrophobicContact CG1-CD1 4.01Å; V150-L168 HydrophobicContact CG1-CD2 4.5Å; V150-L168 HydrophobicContact CG2-CD2 4.05Å
151P96Very high95Very high89 Ų8963.4 Ų63.458%0.57833%0.332SS*.EExtended strand (participates in β ladder)trans-69.8131.3170.429.2-32.4000109.8
152L96.3Very high94.8Very high0 Ų069 Ų690%036%0.357CS..  trans-113.1-36.4-175.3-59.1-176.1000112.5L53 L87 A94 L96 V150 L158 L159 V160 I165 L168L53-L152 HydrophobicContact CD1-CD1 3.93Å; L87-L152 HydrophobicContact CD1-CD1 4.14Å; L87-L152 HydrophobicContact CD2-CB 4.15Å; L87-L152 HydrophobicContact CD2-CD1 3.97Å; A94-L152 PolarHBondContact O-N 3.01Å; L96-L152 HydrophobicContact CB-CD1 3.71Å; L96-L152 HydrophobicContact CB-CG 4.2Å; V150-L152 HydrophobicContact CB-CD2 4.39Å; V150-L152 HydrophobicContact CG1-CD2 3.9Å; L152-L158 HydrophobicContact CB-CD1 4.21Å; L152-L158 WeakPolarHBondContact O-CD1 3.32Å; L152-L159 WeakPolarHBondContact O-CB 3.38Å; L152-L159 PolarHBondContact O-N 3.22Å; L152-V160 HydrophobicContact CD2-CG2 4.16Å; L152-I165 HydrophobicContact CD1-CD1 3.83Å; L152-I165 HydrophobicContact CD2-CD1 3.99Å; L152-I165 HydrophobicContact CG-CD1 4.43Å; L152-L168 HydrophobicContact CD2-CD1 3.46Å; L152-L168 VanDerWaalsContact CD2-CD1 3.46Å
153S93.9Very high94.8Very high6 Ų674.6 Ų74.64%0.04239%0.387CS..EExtended strand (participates in β ladder)trans-126.3159.1176.966.70000111.9G92 A94 K157G92-S153 PolarHBondContact O-OG 3.48Å; G92-S153 VanDerWaalsContact O-OG 3.04Å; A94-S153 WeakPolarHBondContact CA-OG 3.31Å; A94-S153 WeakPolarHBondContact CB-OG 3.41Å; A94-S153 PolarHBondContact N-OG 2.64Å; A94-S153 PolarHBondContact O-N 3.41Å; S153-K157 CarbonylContact C-O 3.52Å; S153-K157 WeakPolarHBondContact CA-O 3.48Å; S153-K157 VanDerWaalsContact CB-O 3.28Å; S153-K157 WeakPolarHBondContact CB-O 3.38Å
154R91.1Very high94.8Very high154 Ų15474 Ų7458%0.58139%0.386SS*.EExtended strand (participates in β ladder)trans-138.2126.5171.3-178.5176.6177176.43.4109.7D93 G156 K157 L159D93-R154 VanDerWaalsContact OD1-CA 3.26Å; D93-R154 WeakPolarHBondContact OD1-CA 3.34Å; R154-G156 PolarHBondContact O-N 2.67Å; R154-K157 PolarHBondContact N-O 2.89Å; R154-K157 WeakPolarHBondContact O-CB 3.5Å; R154-K157 PolarHBondContact O-N 2.89Å; R154-L159 HydrophobicContact CB-CD1 3.91Å; R154-L159 HydrophobicContact CB-CD2 4.43Å; R154-L159 HydrophobicContact CB-CG 4.37Å
155H88.1Confident95Very high122 Ų12273.2 Ų73.257%0.56538%0.38SS*.THydrogen-bonded Turntrans50.844.3-176.6-51.7-48.9000112D93 K157D93-H155 PolarHBondContact OD1-N 3.33Å; D93-H155 IonicContact OD1-ND1 2.77Å; H155-K157 PolarHBondContact O-N 2.92Å
156G86.9Confident95.3Very high37 Ų3772.7 Ų72.738%0.38137%0.37SS..THydrogen-bonded Turntrans75.2-4.9-179.300000115C91 G92 R154C91-G156 PolarHBondContact O-N 3.37Å; G92-G156 WeakPolarHBondContact O-CA 3.22Å; G92-G156 PolarHBondContact O-N 2.97Å; R154-G156 PolarHBondContact O-N 2.67Å
157K92.1Very high95.5Very high151 Ų15176.6 Ų76.666%0.65739%0.387SS*.EExtended strand (participates in β ladder)trans-92.5119.8176.5-175.4-178.5177.2-177.10110.6S153 R154 H155 L159S153-K157 CarbonylContact C-O 3.52Å; S153-K157 WeakPolarHBondContact CA-O 3.48Å; S153-K157 VanDerWaalsContact CB-O 3.28Å; S153-K157 WeakPolarHBondContact CB-O 3.38Å; R154-K157 PolarHBondContact N-O 2.89Å; R154-K157 WeakPolarHBondContact O-CB 3.5Å; R154-K157 PolarHBondContact O-N 2.89Å; H155-K157 PolarHBondContact O-N 2.92Å; K157-L159 PolarHBondContact O-N 3.39Å
158L95.1Very high95.6Very high68 Ų6875.3 Ų75.336%0.35637%0.372SS..EExtended strand (participates in β ladder)trans-63.7131.5170.4-169.369000110.3L87 L152 V160L87-L158 HydrophobicContact CD1-CD1 4.07Å; L87-L158 HydrophobicContact CD2-CD1 4.11Å; L152-L158 HydrophobicContact CB-CD1 4.21Å; L152-L158 WeakPolarHBondContact O-CD1 3.32Å; L158-V160 HydrophobicContact CD1-CG2 4Å; L158-V160 WeakPolarHBondContact CD2-O 3.38Å; L158-V160 HydrophobicContact CG-CG2 4.24Å; L158-V160 WeakPolarHBondContact CG-O 3.43Å
159L96.6Very high95.7Very high104 Ų10474.2 Ų74.255%0.54537%0.367SS..  trans-100.9-7.6-175-60.2-179.6000113.6L152 R154 K157L152-L159 WeakPolarHBondContact O-CB 3.38Å; L152-L159 PolarHBondContact O-N 3.22Å; R154-L159 HydrophobicContact CB-CD1 3.91Å; R154-L159 HydrophobicContact CB-CD2 4.43Å; R154-L159 HydrophobicContact CB-CG 4.37Å; K157-L159 PolarHBondContact O-N 3.39Å
160V96.4Very high95.7Very high36 Ų3673.1 Ų73.122%0.21836%0.362CS..SBendtrans-125.8156.1-173-61.30000110.2L152 L158 Y164 I165L152-V160 HydrophobicContact CD2-CG2 4.16Å; L158-V160 HydrophobicContact CD1-CG2 4Å; L158-V160 WeakPolarHBondContact CD2-O 3.38Å; L158-V160 HydrophobicContact CG-CG2 4.24Å; L158-V160 WeakPolarHBondContact CG-O 3.43Å; V160-Y164 HydrophobicContact CB-CD1 3.61Å; V160-Y164 HydrophobicContact CB-CE1 4.39Å; V160-Y164 HydrophobicContact CB-CG 4.25Å; V160-Y164 HydrophobicContact CG1-CD1 3.52Å; V160-Y164 HydrophobicContact CG1-CE1 3.8Å; V160-Y164 HydrophobicContact CG1-CG 4.39Å; V160-Y164 HydrophobicContact CG2-CD1 4.03Å; V160-I165 HydrophobicContact CG2-CD1 3.49Å; V160-I165 VanDerWaalsContact CG2-CD1 3.49Å; V160-I165 HydrophobicContact CG2-CG1 4.05Å
161D96.9Very high95.8Very high98 Ų9873.4 Ų73.452%0.52436%0.363SS..  trans-84.5171.3174.956.433.3000112D163 Y164 I165D161-D163 VanDerWaalsContact C-N 3.33Å; D161-D163 PolarHBondContact OD1-N 3.26Å; D161-Y164 PolarHBondContact O-N 3.21Å; D161-Y164 WeakPolarHBondContact OD1-CB 3.46Å; D161-Y164 PolarHBondContact OD1-N 3.23Å; D161-I165 WeakPolarHBondContact O-CG1 3.33Å; D161-I165 PolarHBondContact O-N 2.86Å
162E95.8Very high95.9Very high121 Ų12169.1 Ų69.157%0.56534%0.336SS*.Hα-helixtrans-64.7-36.9179.9-172.7173.1177.600112.3M84 Y164 I165 Q166M84-E162 HydrophobicContact CE-CG 4.19Å; E162-Y164 VanDerWaalsContact C-N 3.29Å; E162-Y164 PolarHBondContact O-N 3.01Å; E162-I165 WeakPolarHBondContact O-CB 3.42Å; E162-I165 PolarHBondContact O-N 2.74Å; E162-I165 VanDerWaalsContact O-N 3.1Å; E162-Q166 PolarHBondContact O-N 2.85Å
163D97.9Very high96Very high118 Ų11870.5 Ų70.563%0.63134%0.343SS*.Hα-helixtrans-59.8-40.6177-70.8-18.7000111.2D161 Q166 F167D161-D163 VanDerWaalsContact C-N 3.33Å; D161-D163 PolarHBondContact OD1-N 3.26Å; D163-Q166 PolarHBondContact O-N 2.74Å; D163-F167 PolarHBondContact O-N 2.77Å
164Y98.3Very high96.2Very high93 Ų9376.1 Ų76.137%0.36537%0.369SS..Hα-helixtrans-67.8-38.3175.1-170-106.3000112.2V150 V160 D161 E162 Q166 F167 L168V150-Y164 HydrophobicContact CG1-CE1 4.3Å; V160-Y164 HydrophobicContact CB-CD1 3.61Å; V160-Y164 HydrophobicContact CB-CE1 4.39Å; V160-Y164 HydrophobicContact CB-CG 4.25Å; V160-Y164 HydrophobicContact CG1-CD1 3.52Å; V160-Y164 HydrophobicContact CG1-CE1 3.8Å; V160-Y164 HydrophobicContact CG1-CG 4.39Å; V160-Y164 HydrophobicContact CG2-CD1 4.03Å; D161-Y164 PolarHBondContact O-N 3.21Å; D161-Y164 WeakPolarHBondContact OD1-CB 3.46Å; D161-Y164 PolarHBondContact OD1-N 3.23Å; E162-Y164 VanDerWaalsContact C-N 3.29Å; E162-Y164 PolarHBondContact O-N 3.01Å; Y164-Q166 VanDerWaalsContact C-N 3.31Å; Y164-Q166 PolarHBondContact O-N 2.89Å; Y164-F167 HydrophobicContact CD2-CD1 4.24Å; Y164-F167 HydrophobicContact CE2-CD1 4.12Å; Y164-F167 HydrophobicContact CE2-CE1 4.47Å; Y164-F167 PolarHBondContact O-N 3.48Å; Y164-L168 HydrophobicContact CD1-CD1 3.75Å; Y164-L168 HydrophobicContact CD1-CG 4.04Å; Y164-L168 HydrophobicContact CE1-CD1 3.46Å; Y164-L168 VanDerWaalsContact CE1-CD1 3.46Å; Y164-L168 HydrophobicContact CE1-CD2 4.15Å; Y164-L168 HydrophobicContact CE1-CG 3.8Å; Y164-L168 WeakPolarHBondContact O-CB 3.21Å; Y164-L168 WeakPolarHBondContact O-CG 3.39Å; Y164-L168 PolarHBondContact O-N 3.32Å
165I98.3Very high96.6Very high0 Ų071 Ų710%035%0.351CS..Hα-helixtrans-62.5-40.7173.3-61.4-57.1000110.9L83 M84 L87 L152 V160 D161 E162 L168 T169L83-I165 HydrophobicContact CB-CG2 4.12Å; L83-I165 HydrophobicContact CD1-CG2 4.36Å; M84-I165 HydrophobicContact CG-CG2 4.32Å; M84-I165 HydrophobicContact SD-CB 4.29Å; M84-I165 HydrophobicContact SD-CG1 4.19Å; M84-I165 HydrophobicContact SD-CG2 4.01Å; L87-I165 HydrophobicContact CD1-CD1 3.8Å; L87-I165 HydrophobicContact CD1-CG1 4.17Å; L152-I165 HydrophobicContact CD1-CD1 3.83Å; L152-I165 HydrophobicContact CD2-CD1 3.99Å; L152-I165 HydrophobicContact CG-CD1 4.43Å; V160-I165 HydrophobicContact CG2-CD1 3.49Å; V160-I165 VanDerWaalsContact CG2-CD1 3.49Å; V160-I165 HydrophobicContact CG2-CG1 4.05Å; D161-I165 WeakPolarHBondContact O-CG1 3.33Å; D161-I165 PolarHBondContact O-N 2.86Å; E162-I165 WeakPolarHBondContact O-CB 3.42Å; E162-I165 PolarHBondContact O-N 2.74Å; E162-I165 VanDerWaalsContact O-N 3.1Å; I165-L168 PolarHBondContact O-N 3.33Å; I165-T169 WeakPolarHBondContact O-CB 3.44Å; I165-T169 PolarHBondContact O-N 2.97Å; I165-T169 PolarHBondContact O-OG1 3.26Å
166Q98.4Very high97.1Very high98 Ų9865.2 Ų65.246%0.45832%0.324SS..Hα-helixtrans-62.4-44.4175.4-168.8-177.813.700111.4E162 D163 Y164 T169 Q170E162-Q166 PolarHBondContact O-N 2.85Å; D163-Q166 PolarHBondContact O-N 2.74Å; Y164-Q166 VanDerWaalsContact C-N 3.31Å; Y164-Q166 PolarHBondContact O-N 2.89Å; Q166-T169 WeakPolarHBondContact O-CB 3.18Å; Q166-T169 PolarHBondContact O-N 3.48Å; Q166-Q170 WeakPolarHBondContact O-CG 3.17Å; Q166-Q170 PolarHBondContact O-N 2.69Å; Q166-Q170 VanDerWaalsContact O-N 3.09Å
167F98.6Very high97.6Very high111 Ų11167 Ų6749%0.48732%0.322SS..Hα-helixtrans-60-44.6174.4167.6-102.5000112.5D163 Y164 Q170 T171D163-F167 PolarHBondContact O-N 2.77Å; Y164-F167 HydrophobicContact CD2-CD1 4.24Å; Y164-F167 HydrophobicContact CE2-CD1 4.12Å; Y164-F167 HydrophobicContact CE2-CE1 4.47Å; Y164-F167 PolarHBondContact O-N 3.48Å; F167-Q170 PolarHBondContact O-N 2.88Å; F167-T171 WeakPolarHBondContact O-CB 3.47Å; F167-T171 PolarHBondContact O-N 3.34Å; F167-T171 PolarHBondContact O-OG1 2.85Å
168L98.6Very high97.9Very high4 Ų462 Ų622%0.02130%0.302CS..Hα-helixtrans-65-39.3177.8-73.3-177.5000112.2L96 V150 L152 Y164 I165 Q170 T171 A172L96-L168 HydrophobicContact CD2-CB 3.82Å; L96-L168 HydrophobicContact CD2-CD1 4.08Å; V150-L168 HydrophobicContact CB-CD1 4.34Å; V150-L168 HydrophobicContact CG1-CD1 4.01Å; V150-L168 HydrophobicContact CG1-CD2 4.5Å; V150-L168 HydrophobicContact CG2-CD2 4.05Å; L152-L168 HydrophobicContact CD2-CD1 3.46Å; L152-L168 VanDerWaalsContact CD2-CD1 3.46Å; Y164-L168 HydrophobicContact CD1-CD1 3.75Å; Y164-L168 HydrophobicContact CD1-CG 4.04Å; Y164-L168 HydrophobicContact CE1-CD1 3.46Å; Y164-L168 VanDerWaalsContact CE1-CD1 3.46Å; Y164-L168 HydrophobicContact CE1-CD2 4.15Å; Y164-L168 HydrophobicContact CE1-CG 3.8Å; Y164-L168 WeakPolarHBondContact O-CB 3.21Å; Y164-L168 WeakPolarHBondContact O-CG 3.39Å; Y164-L168 PolarHBondContact O-N 3.32Å; I165-L168 PolarHBondContact O-N 3.33Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.29Å; L168-T171 PolarHBondContact O-N 3.48Å; L168-A172 WeakPolarHBondContact O-CB 3.45Å; L168-A172 PolarHBondContact O-N 3.47Å
169T98.6Very high98.1Very high7 Ų758.8 Ų58.84%0.04329%0.285CS..Hα-helixtrans-57.1-49.5174.4-570000110.4C78 L83 I165 Q166 T171 A172 N173C78-T169 WeakPolarHBondContact O-CG2 3.23Å; L83-T169 VanDerWaalsContact CD1-OG1 3.31Å; L83-T169 WeakPolarHBondContact CD1-OG1 3.24Å; I165-T169 WeakPolarHBondContact O-CB 3.44Å; I165-T169 PolarHBondContact O-N 2.97Å; I165-T169 PolarHBondContact O-OG1 3.26Å; Q166-T169 WeakPolarHBondContact O-CB 3.18Å; Q166-T169 PolarHBondContact O-N 3.48Å; T169-T171 VanDerWaalsContact C-N 3.33Å; T169-T171 PolarHBondContact O-N 2.91Å; T169-A172 PolarHBondContact O-N 3.09Å; T169-N173 WeakPolarHBondContact O-CB 3.43Å; T169-N173 VanDerWaalsContact O-CG 3.28Å; T169-N173 PolarHBondContact O-N 2.79Å; T169-N173 PolarHBondContact O-ND2 3.08Å
170Q98.6Very high98.1Very high99 Ų9956.2 Ų56.246%0.46327%0.271SS..Hα-helixtrans-61.6-43.1177.4-67.5174.71300111.4Q166 F167 L168 N173 Q174Q166-Q170 WeakPolarHBondContact O-CG 3.17Å; Q166-Q170 PolarHBondContact O-N 2.69Å; Q166-Q170 VanDerWaalsContact O-N 3.09Å; F167-Q170 PolarHBondContact O-N 2.88Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.29Å; Q170-N173 PolarHBondContact O-N 3.34Å; Q170-Q174 VanDerWaalsContact O-CG 3.29Å; Q170-Q174 WeakPolarHBondContact O-CG 3.49Å; Q170-Q174 PolarHBondContact O-N 2.88Å
171T98.7Very high98.2Very high25 Ų2560.1 Ų60.115%0.15328%0.282CS..Hα-helixtrans-62.3-44.6178.1-60.10000111.8L148 F167 L168 T169 Q174 K175L148-T171 HydrophobicContact CD2-CG2 4.42Å; F167-T171 WeakPolarHBondContact O-CB 3.47Å; F167-T171 PolarHBondContact O-N 3.34Å; F167-T171 PolarHBondContact O-OG1 2.85Å; L168-T171 PolarHBondContact O-N 3.48Å; T169-T171 VanDerWaalsContact C-N 3.33Å; T169-T171 PolarHBondContact O-N 2.91Å; T171-Q174 PolarHBondContact O-N 2.87Å; T171-K175 WeakPolarHBondContact O-CG 3.31Å; T171-K175 PolarHBondContact O-N 3.19Å
172A98.6Very high98.3Very high0 Ų057.8 Ų57.80%027%0.266CS..Hα-helixtrans-63.4-42.7176.800000111.4I51 L148 L168 T169 K175 M176I51-A172 HydrophobicContact CD1-CB 3.86Å; I51-A172 HydrophobicContact CG1-CB 4.19Å; I51-A172 HydrophobicContact CG2-CB 4.45Å; L148-A172 HydrophobicContact CD2-CB 4.21Å; L168-A172 WeakPolarHBondContact O-CB 3.45Å; L168-A172 PolarHBondContact O-N 3.47Å; T169-A172 PolarHBondContact O-N 3.09Å; A172-K175 WeakPolarHBondContact O-CB 3.45Å; A172-K175 PolarHBondContact O-N 2.88Å; A172-M176 PolarHBondContact O-N 3.45Å
173N98.8Very high98.4Very high28 Ų2852.1 Ų52.115%0.1524%0.24CC..Hα-helixtrans-65.1-39176.5-73.9-18.1000113K77 C78 T169 Q170 K175 M176 E177K77-N173 WeakPolarHBondContact CA-OD1 3.2Å; K77-N173 HydrophobicContact CB-CB 4.43Å; K77-N173 WeakPolarHBondContact CB-OD1 3.46Å; K77-N173 HydrophobicContact CD-CB 4.26Å; K77-N173 HydrophobicContact CG-CB 4.04Å; C78-N173 PolarHBondContact N-OD1 3.45Å; C78-N173 PolarHBondContact O-ND2 2.91Å; T169-N173 WeakPolarHBondContact O-CB 3.43Å; T169-N173 VanDerWaalsContact O-CG 3.28Å; T169-N173 PolarHBondContact O-N 2.79Å; T169-N173 PolarHBondContact O-ND2 3.08Å; Q170-N173 PolarHBondContact O-N 3.34Å; N173-K175 VanDerWaalsContact C-N 3.32Å; N173-M176 PolarHBondContact O-N 3.46Å; N173-E177 PolarHBondContact O-N 2.98Å
174Q98.6Very high98.5Very high124 Ų12452 Ų5258%0.57924%0.235SC*.Hα-helixtrans-63.8-39.5173-73.8172.36.800111.3Q170 T171 E177 E178Q170-Q174 VanDerWaalsContact O-CG 3.29Å; Q170-Q174 WeakPolarHBondContact O-CG 3.49Å; Q170-Q174 PolarHBondContact O-N 2.88Å; T171-Q174 PolarHBondContact O-N 2.87Å; Q174-E177 PolarHBondContact O-N 3.41Å; Q174-E178 PolarHBondContact O-N 3.33Å
175K98.4Very high98.5Very high46 Ų4652 Ų5220%0.223%0.234CC..Hα-helixtrans-64.9-42.9175.1-74.8176.1174.6-770111.8F98 H146 G147 L148 T171 A172 N173 E177 E178 N179F98-K175 HydrophobicContact CB-CD 4.49Å; F98-K175 HydrophobicContact CD1-CB 3.59Å; F98-K175 HydrophobicContact CD1-CD 4.01Å; F98-K175 HydrophobicContact CD1-CG 4.36Å; F98-K175 HydrophobicContact CD2-CB 4.46Å; F98-K175 HydrophobicContact CE1-CB 3.66Å; F98-K175 HydrophobicContact CG-CB 4.01Å; F98-K175 HydrophobicContact CG-CD 4.46Å; F98-K175 HydrophobicContact CZ-CB 4.15Å; H146-K175 PolarHBondContact CD2-O 3.35Å; H146-K175 VanDerWaalsContact NE2-CA 3.32Å; H146-K175 WeakPolarHBondContact NE2-CA 3.49Å; H146-K175 PolarHBondContact NE2-O 3.32Å; G147-K175 WeakPolarHBondContact O-CE 3.26Å; G147-K175 PolarHBondContact O-NZ 3.37Å; L148-K175 HydrophobicContact CB-CD 3.8Å; T171-K175 WeakPolarHBondContact O-CG 3.31Å; T171-K175 PolarHBondContact O-N 3.19Å; A172-K175 WeakPolarHBondContact O-CB 3.45Å; A172-K175 PolarHBondContact O-N 2.88Å; N173-K175 VanDerWaalsContact C-N 3.32Å; K175-E177 VanDerWaalsContact C-N 3.32Å; K175-E177 PolarHBondContact O-N 2.63Å; K175-E178 PolarHBondContact O-N 2.84Å; K175-N179 VanDerWaalsContact O-CB 3.27Å; K175-N179 WeakPolarHBondContact O-CB 3.37Å; K175-N179 PolarHBondContact O-N 3.21Å
176M98.5Very high98.5Very high1 Ų152 Ų521%0.00523%0.234CC..Hα-helixtrans-57.4-45.2173.5-176.562.583.800111.4I51 F98 A172 N173 N179 L180I51-M176 HydrophobicContact CG1-CE 4.2Å; F98-M176 HydrophobicContact CD2-CE 4.45Å; F98-M176 HydrophobicContact CE2-CB 3.92Å; F98-M176 HydrophobicContact CE2-CE 3.85Å; F98-M176 HydrophobicContact CE2-SD 3.88Å; A172-M176 PolarHBondContact O-N 3.45Å; N173-M176 PolarHBondContact O-N 3.46Å; M176-N179 WeakPolarHBondContact O-CB 3.43Å; M176-N179 PolarHBondContact O-N 2.8Å; M176-L180 WeakPolarHBondContact O-CG 3.4Å; M176-L180 PolarHBondContact O-N 2.81Å
177E98.4Very high98.5Very high74 Ų7449.4 Ų49.435%0.34622%0.222SC..Hα-helixtrans-65-46.2-179.9-167.8172.6153.500112.7K77 N173 Q174 K175 N179 L180 R181K77-E177 IonicContact NZ-OE2 3.84Å; K77-E177 PolarHBondContact NZ-OE2 3.21Å; N173-E177 PolarHBondContact O-N 2.98Å; Q174-E177 PolarHBondContact O-N 3.41Å; K175-E177 VanDerWaalsContact C-N 3.32Å; K175-E177 PolarHBondContact O-N 2.63Å; E177-N179 VanDerWaalsContact C-N 3.26Å; E177-N179 PolarHBondContact O-N 2.7Å; E177-L180 PolarHBondContact O-N 2.91Å; E177-R181 VanDerWaalsContact CD-NH2 3.26Å; E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 2.79Å; E177-R181 IonicContact OE1-CZ 3.66Å; E177-R181 IonicContact OE1-NH2 2.68Å; E177-R181 PolarHBondContact OE1-NH2 3.35Å
178E98.1Very high98.5Very high48 Ų4848.7 Ų48.722%0.22422%0.22CC..Hα-helixtrans-61.8-36.6174171.755-160.700111.9Q174 K175 R181 R182Q174-E178 PolarHBondContact O-N 3.33Å; K175-E178 PolarHBondContact O-N 2.84Å; E178-R181 PolarHBondContact O-N 3.07Å; E178-R181 IonicContact OE2-NH1 3.37Å; E178-R181 PolarHBondContact OE2-NH1 3.36Å; E178-R182 WeakPolarHBondContact O-CG 3.18Å; E178-R182 PolarHBondContact O-N 2.76Å; E178-R182 IonicContact OE1-CZ 3.68Å; E178-R182 IonicContact OE1-NE 2.89Å; E178-R182 PolarHBondContact OE1-NE 2.88Å; E178-R182 IonicContact OE1-NH2 3.55Å
179N98.4Very high98.5Very high0 Ų051.1 Ų51.10%023%0.233CC..Hα-helixtrans-60.2-46.9175175.269.1000111.8S48 F98 P100 F101 K175 M176 E177 R181 R182 V183S48-N179 PolarHBondContact O-ND2 3.41Å; F98-N179 HydrophobicContact CE1-CB 4.39Å; F98-N179 HydrophobicContact CZ-CB 3.71Å; P100-N179 WeakPolarHBondContact CB-OD1 3.49Å; F101-N179 VanDerWaalsContact CB-OD1 3.3Å; F101-N179 WeakPolarHBondContact CB-OD1 3.47Å; F101-N179 PolarHBondContact N-OD1 3.49Å; K175-N179 VanDerWaalsContact O-CB 3.27Å; K175-N179 WeakPolarHBondContact O-CB 3.37Å; K175-N179 PolarHBondContact O-N 3.21Å; M176-N179 WeakPolarHBondContact O-CB 3.43Å; M176-N179 PolarHBondContact O-N 2.8Å; E177-N179 VanDerWaalsContact C-N 3.26Å; E177-N179 PolarHBondContact O-N 2.7Å; N179-R181 VanDerWaalsContact C-N 3.33Å; N179-R181 PolarHBondContact O-N 2.88Å; N179-R182 WeakPolarHBondContact O-CB 3.47Å; N179-R182 PolarHBondContact O-N 2.9Å; N179-R182 VanDerWaalsContact O-N 3.1Å; N179-V183 WeakPolarHBondContact O-CG2 3.38Å; N179-V183 PolarHBondContact O-N 3.06Å
180L98.1Very high98.5Very high49 Ų4950.9 Ų50.926%0.25723%0.231SC..Hα-helixtrans-63.5-36.7176.4-65.2179.1000112.4D27 M176 E177 R182 V183 Q184D27-L180 HydrophobicContact CB-CD2 3.9Å; M176-L180 WeakPolarHBondContact O-CG 3.4Å; M176-L180 PolarHBondContact O-N 2.81Å; E177-L180 PolarHBondContact O-N 2.91Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 2.9Å; L180-V183 WeakPolarHBondContact O-CB 3.49Å; L180-V183 PolarHBondContact O-N 3.47Å; L180-Q184 PolarHBondContact O-N 3.09Å
181R98.3Very high98.4Very high119 Ų11950.4 Ų50.445%0.44923%0.229SC..Hα-helixtrans-61.6-38.7172.2-66.2-178.2-157.3129.4-3112.2E177 E178 N179 Q184 R185E177-R181 VanDerWaalsContact CD-NH2 3.26Å; E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 2.79Å; E177-R181 IonicContact OE1-CZ 3.66Å; E177-R181 IonicContact OE1-NH2 2.68Å; E177-R181 PolarHBondContact OE1-NH2 3.35Å; E178-R181 PolarHBondContact O-N 3.07Å; E178-R181 IonicContact OE2-NH1 3.37Å; E178-R181 PolarHBondContact OE2-NH1 3.36Å; N179-R181 VanDerWaalsContact C-N 3.33Å; N179-R181 PolarHBondContact O-N 2.88Å; R181-Q184 PolarHBondContact O-N 3.1Å; R181-R185 PolarHBondContact O-N 3.22Å
182R98.3Very high98.4Very high48 Ų4852.8 Ų52.818%0.18125%0.247CC..Hα-helixtrans-66.7-41.6175.2-66-179.1-177.6-169.17.5111.8F125 S144 E178 N179 L180 R185 F186F125-R182 HydrophobicContact CE1-CB 4.36Å; F125-R182 HydrophobicContact CE2-CB 3.92Å; F125-R182 HydrophobicContact CZ-CB 3.61Å; S144-R182 PolarHBondContact OG-NH1 3.33Å; S144-R182 VanDerWaalsContact OG-NH1 3.13Å; E178-R182 WeakPolarHBondContact O-CG 3.18Å; E178-R182 PolarHBondContact O-N 2.76Å; E178-R182 IonicContact OE1-CZ 3.68Å; E178-R182 IonicContact OE1-NE 2.89Å; E178-R182 PolarHBondContact OE1-NE 2.88Å; E178-R182 IonicContact OE1-NH2 3.55Å; N179-R182 WeakPolarHBondContact O-CB 3.47Å; N179-R182 PolarHBondContact O-N 2.9Å; N179-R182 VanDerWaalsContact O-N 3.1Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 2.9Å; R182-R185 PolarHBondContact O-N 2.94Å; R182-F186 WeakPolarHBondContact O-CB 3.28Å; R182-F186 PolarHBondContact O-N 2.81Å
183V98.6Very high98.3Very high3 Ų353.6 Ų53.62%0.01825%0.253CS..Hα-helixtrans-58.5-47.9174.31700000110.6I28 V31 F101 F125 N179 L180 R185 F186 F187I28-V183 HydrophobicContact CG2-CG1 3.8Å; I28-V183 HydrophobicContact CG2-CG2 4.43Å; V31-V183 HydrophobicContact CG2-CG1 4.23Å; F101-V183 HydrophobicContact CB-CG2 3.66Å; F101-V183 HydrophobicContact CD1-CG2 4.07Å; F101-V183 HydrophobicContact CD2-CG2 3.78Å; F101-V183 HydrophobicContact CE2-CG2 4.4Å; F101-V183 HydrophobicContact CG-CG2 3.56Å; F125-V183 HydrophobicContact CZ-CG2 4.44Å; N179-V183 WeakPolarHBondContact O-CG2 3.38Å; N179-V183 PolarHBondContact O-N 3.06Å; L180-V183 WeakPolarHBondContact O-CB 3.49Å; L180-V183 PolarHBondContact O-N 3.47Å; V183-R185 PolarHBondContact O-N 3.41Å; V183-F186 WeakPolarHBondContact O-CB 3.5Å; V183-F186 PolarHBondContact O-N 2.78Å; V183-F186 VanDerWaalsContact O-N 3.15Å; V183-F187 PolarHBondContact O-N 3.46Å
184Q98.6Very high98.1Very high114 Ų11452.4 Ų52.453%0.53325%0.247SC..Hα-helixtrans-60.6-45.4178.4-173-177.65.300112L180 R181 F186 F187 Q188L180-Q184 PolarHBondContact O-N 3.09Å; R181-Q184 PolarHBondContact O-N 3.1Å; Q184-F186 VanDerWaalsContact C-N 3.3Å; Q184-F186 PolarHBondContact O-N 3.49Å; Q184-F187 PolarHBondContact O-N 2.9Å; Q184-Q188 WeakPolarHBondContact O-CG 3.4Å; Q184-Q188 PolarHBondContact O-N 3.13Å
185R98.6Very high97.8Very high93 Ų9350.7 Ų50.735%0.35124%0.242SC..Hα-helixtrans-62-39.5175.5-178.4170.758.7-130.62.4111.9S123 R181 R182 V183 Q188 N189S123-R185 VanDerWaalsContact O-CZ 3.27Å; S123-R185 PolarHBondContact O-NE 3.4Å; S123-R185 PolarHBondContact O-NH2 3.33Å; R181-R185 PolarHBondContact O-N 3.22Å; R182-R185 PolarHBondContact O-N 2.94Å; V183-R185 PolarHBondContact O-N 3.41Å; R185-Q188 PolarHBondContact O-N 2.72Å; R185-N189 WeakPolarHBondContact O-CB 3.44Å; R185-N189 PolarHBondContact O-N 2.77Å; R185-N189 PolarHBondContact O-ND2 3.46Å
186F98.7Very high97.6Very high0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-61.4-45.4174.4172.6-104.6000112.3V31 F101 L103 L116 V119 A120 S123 F125 V142 R182 V183 Q184 Q188 N189 L190V31-F186 HydrophobicContact CG1-CD1 4.04Å; V31-F186 HydrophobicContact CG1-CE1 3.61Å; F101-F186 HydrophobicContact CE1-CD1 4.45Å; L103-F186 HydrophobicContact CD2-CE1 4.11Å; L103-F186 HydrophobicContact CD2-CZ 4.35Å; L116-F186 HydrophobicContact CD1-CE2 4.12Å; L116-F186 HydrophobicContact CD1-CZ 3.81Å; V119-F186 HydrophobicContact CG1-CD2 3.82Å; V119-F186 HydrophobicContact CG1-CE2 3.76Å; A120-F186 HydrophobicContact CB-CD2 4.4Å; A120-F186 HydrophobicContact CB-CE2 4.01Å; S123-F186 VanDerWaalsContact OG-CA 3.3Å; S123-F186 WeakPolarHBondContact OG-CA 3.35Å; F125-F186 HydrophobicContact CD2-CB 4.27Å; F125-F186 HydrophobicContact CD2-CD2 4.45Å; F125-F186 HydrophobicContact CE2-CB 3.73Å; F125-F186 HydrophobicContact CE2-CG 4.27Å; V142-F186 HydrophobicContact CG1-CE2 4.35Å; V142-F186 HydrophobicContact CG2-CE2 4.22Å; V142-F186 HydrophobicContact CG2-CZ 4.04Å; R182-F186 WeakPolarHBondContact O-CB 3.28Å; R182-F186 PolarHBondContact O-N 2.81Å; V183-F186 WeakPolarHBondContact O-CB 3.5Å; V183-F186 PolarHBondContact O-N 2.78Å; V183-F186 VanDerWaalsContact O-N 3.15Å; Q184-F186 VanDerWaalsContact C-N 3.3Å; Q184-F186 PolarHBondContact O-N 3.49Å; F186-Q188 PolarHBondContact O-N 2.85Å; F186-N189 PolarHBondContact O-N 3.36Å; F186-L190 HydrophobicContact CE1-CD2 4.17Å; F186-L190 HydrophobicContact CZ-CD2 4.29Å; F186-L190 WeakPolarHBondContact O-CB 3.1Å; F186-L190 PolarHBondContact O-N 3.17Å
187F98.7Very high97Very high44 Ų4452.9 Ų52.919%0.19326%0.259CS..Hα-helixtrans-59.7-46.6176.8-178-114.2000112.4H30 V31 L34 V183 Q184 N189 L190 Q191H30-F187 HydrophobicContact CB-CE2 4.44Å; H30-F187 HydrophobicContact CB-CZ 4.45Å; H30-F187 AromaticContact CD2-CD1 3.62Å; H30-F187 AromaticContact CD2-CD2 3.46Å; H30-F187 VanDerWaalsContact CD2-CD2 3.46Å; H30-F187 WeakPolarHBondContact CD2-CD2 3.31Å; H30-F187 AromaticContact CD2-CE1 3.8Å; H30-F187 AromaticContact CD2-CE2 3.63Å; H30-F187 AromaticContact CD2-CG 3.43Å; H30-F187 VanDerWaalsContact CD2-CG 3.43Å; H30-F187 WeakPolarHBondContact CD2-CG 3.22Å; H30-F187 AromaticContact CD2-CZ 3.8Å; H30-F187 AromaticContact NE2-CG 3.76Å; V31-F187 HydrophobicContact CG2-CB 4.06Å; V31-F187 HydrophobicContact CG2-CD2 3.93Å; V31-F187 HydrophobicContact CG2-CG 4.33Å; L34-F187 HydrophobicContact CB-CE2 4Å; L34-F187 HydrophobicContact CD2-CD2 4.01Å; L34-F187 HydrophobicContact CD2-CE2 3.57Å; L34-F187 HydrophobicContact CD2-CZ 4.39Å; L34-F187 HydrophobicContact CG-CE2 4.41Å; V183-F187 PolarHBondContact O-N 3.46Å; Q184-F187 PolarHBondContact O-N 2.9Å; F187-N189 PolarHBondContact O-N 2.85Å; F187-L190 PolarHBondContact O-N 2.86Å; F187-Q191 WeakPolarHBondContact O-CB 3.47Å; F187-Q191 PolarHBondContact O-N 3.14Å
188Q98.6Very high96.2Very high96 Ų9656.3 Ų56.345%0.44927%0.269SS..Hα-helixtrans-60.8-45.3178.4-70.9171.3-12.500112.4Q184 R185 F186 Q191 S192Q184-Q188 WeakPolarHBondContact O-CG 3.4Å; Q184-Q188 PolarHBondContact O-N 3.13Å; R185-Q188 PolarHBondContact O-N 2.72Å; F186-Q188 PolarHBondContact O-N 2.85Å; Q188-Q191 PolarHBondContact O-N 3.37Å; Q188-S192 WeakPolarHBondContact O-CB 3.21Å; Q188-S192 PolarHBondContact O-N 2.8Å; Q188-S192 PolarHBondContact O-OG 3.02Å
189N98.5Very high95.4Very high56 Ų5662 Ų6230%0.29930%0.296SS..Hα-helixtrans-67.2-38.9178.1-72.3-20.4000111.6V119 S123 R185 F186 F187 S192 A193V119-N189 HydrophobicContact CG1-CB 3.88Å; S123-N189 PolarHBondContact OG-ND2 3.33Å; R185-N189 WeakPolarHBondContact O-CB 3.44Å; R185-N189 PolarHBondContact O-N 2.77Å; R185-N189 PolarHBondContact O-ND2 3.46Å; F186-N189 PolarHBondContact O-N 3.36Å; F187-N189 PolarHBondContact O-N 2.85Å; N189-S192 PolarHBondContact O-N 2.81Å; N189-A193 WeakPolarHBondContact O-CB 3.46Å; N189-A193 PolarHBondContact O-N 2.86Å
190L98.3Very high93.8Very high1 Ų169.3 Ų69.31%0.00533%0.33CS..Hα-helixtrans-64.2-46.5176.6178.962.8000111.4L34 L35 L116 V119 F186 F187 S192 A193 V194L34-L190 HydrophobicContact CD2-CD2 3.95Å; L34-L190 HydrophobicContact CD2-CG 3.96Å; L34-L190 HydrophobicContact CG-CD2 4.47Å; L35-L190 HydrophobicContact CD1-CD2 4.31Å; L35-L190 HydrophobicContact CD2-CD1 4.06Å; L35-L190 HydrophobicContact CD2-CD2 3.74Å; L35-L190 HydrophobicContact CD2-CG 4.49Å; L35-L190 HydrophobicContact CG-CD2 3.8Å; L116-L190 HydrophobicContact CD1-CD1 3.92Å; V119-L190 HydrophobicContact CG1-CB 3.94Å; F186-L190 HydrophobicContact CE1-CD2 4.17Å; F186-L190 HydrophobicContact CZ-CD2 4.29Å; F186-L190 WeakPolarHBondContact O-CB 3.1Å; F186-L190 PolarHBondContact O-N 3.17Å; F187-L190 PolarHBondContact O-N 2.86Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.3Å; L190-A193 PolarHBondContact O-N 3.44Å; L190-V194 HydrophobicContact CD1-CG2 4.07Å; L190-V194 HydrophobicContact CG-CG2 4.47Å; L190-V194 WeakPolarHBondContact O-CG2 3.33Å; L190-V194 PolarHBondContact O-N 3.44Å
191Q97.8Very high91.9Very high90 Ų9073.1 Ų73.142%0.42135%0.349SS..Hα-helixtrans-59.3-45177.5-170.4176.531.500111.1L34 F187 Q188 A193 V194 L195L34-Q191 HydrophobicContact CD2-CB 4.18Å; F187-Q191 WeakPolarHBondContact O-CB 3.47Å; F187-Q191 PolarHBondContact O-N 3.14Å; Q188-Q191 PolarHBondContact O-N 3.37Å; Q191-A193 PolarHBondContact O-N 3.17Å; Q191-V194 PolarHBondContact O-N 3.37Å; Q191-L195 HydrophobicContact CG-CD1 4.14Å; Q191-L195 WeakPolarHBondContact O-CB 3.48Å; Q191-L195 VanDerWaalsContact O-CG 3.23Å; Q191-L195 WeakPolarHBondContact O-CG 3.48Å; Q191-L195 PolarHBondContact O-N 2.84Å
192S97.6Very high89.6Confident75 Ų7572.7 Ų72.752%0.52436%0.362SS..Hα-helixtrans-61.6-44177.1-570000112.1Q188 N189 L190 A196Q188-S192 WeakPolarHBondContact O-CB 3.21Å; Q188-S192 PolarHBondContact O-N 2.8Å; Q188-S192 PolarHBondContact O-OG 3.02Å; N189-S192 PolarHBondContact O-N 2.81Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.3Å; S192-A196 WeakPolarHBondContact O-CB 3.26Å; S192-A196 PolarHBondContact O-N 2.73Å
193A96.6Very high87Confident16 Ų1678.2 Ų78.213%0.13240%0.395CS..Hα-helixtrans-64.7-45.9179.400000112.7L115 V119 N189 L190 Q191 L195 A196 E197L115-A193 HydrophobicContact CD1-CB 4.09Å; L115-A193 HydrophobicContact CD2-CB 4.33Å; L115-A193 HydrophobicContact CG-CB 4.31Å; V119-A193 HydrophobicContact CG2-CB 3.6Å; N189-A193 WeakPolarHBondContact O-CB 3.46Å; N189-A193 PolarHBondContact O-N 2.86Å; L190-A193 PolarHBondContact O-N 3.44Å; Q191-A193 PolarHBondContact O-N 3.17Å; A193-L195 PolarHBondContact O-N 3.18Å; A193-A196 PolarHBondContact O-N 3.31Å; A193-E197 PolarHBondContact O-N 3.31Å; A193-E197 VanDerWaalsContact O-N 3.11Å
194V94.3Very high84.4Confident4 Ų483.3 Ų83.32%0.02443%0.43CS..Hα-helixtrans-65.6-38.8179170.20000111.5L190 Q191 R198L190-V194 HydrophobicContact CD1-CG2 4.07Å; L190-V194 HydrophobicContact CG-CG2 4.47Å; L190-V194 WeakPolarHBondContact O-CG2 3.33Å; L190-V194 PolarHBondContact O-N 3.44Å; Q191-V194 PolarHBondContact O-N 3.37Å; V194-R198 WeakPolarHBondContact O-CG 3.49Å; V194-R198 PolarHBondContact O-N 3.38Å
195L93.4Very high81.9Confident88 Ų8883.9 Ų83.946%0.46144%0.444SS..Hα-helixtrans-65.4-41176.1-72.9171.4000111.9Q191 A193 R198 Q199Q191-L195 HydrophobicContact CG-CD1 4.14Å; Q191-L195 WeakPolarHBondContact O-CB 3.48Å; Q191-L195 VanDerWaalsContact O-CG 3.23Å; Q191-L195 WeakPolarHBondContact O-CG 3.48Å; Q191-L195 PolarHBondContact O-N 2.84Å; A193-L195 PolarHBondContact O-N 3.18Å; L195-R198 PolarHBondContact O-N 2.76Å; L195-Q199 PolarHBondContact O-N 2.96Å
196A92.9Very high79Confident41 Ų4182.6 Ų82.634%0.33946%0.46SS..Hα-helixtrans-63.3-41.4177.600000112.2S192 A193 R198 Q199 Q200S192-A196 WeakPolarHBondContact O-CB 3.26Å; S192-A196 PolarHBondContact O-N 2.73Å; A193-A196 PolarHBondContact O-N 3.31Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 3.07Å; A196-Q199 PolarHBondContact O-N 3.02Å; A196-Q200 WeakPolarHBondContact O-CG 3.49Å; A196-Q200 PolarHBondContact O-N 3.18Å
197E86.4Confident76.3Confident52 Ų5289 Ų8924%0.24350%0.499CS..Hα-helixtrans-61.4-39.7176-78.1-160.6146.400112.7Q40 L115 A193 Q199 Q200Q40-E197 PolarHBondContact NE2-OE2 2.87Å; L115-E197 VanDerWaalsContact CD2-CD 3.48Å; L115-E197 HydrophobicContact CD2-CG 4.08Å; A193-E197 PolarHBondContact O-N 3.31Å; A193-E197 VanDerWaalsContact O-N 3.11Å; E197-Q199 PolarHBondContact O-N 3.48Å; E197-Q200 PolarHBondContact O-N 3.19Å
198R82.5Confident73.4Confident146 Ų14696 Ų9655%0.55153%0.532SS*.Hα-helixtrans-63.7-29.5179.1-72.1178.2179-170.30.6112.9V194 L195 A196V194-R198 WeakPolarHBondContact O-CG 3.49Å; V194-R198 PolarHBondContact O-N 3.38Å; L195-R198 PolarHBondContact O-N 2.76Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 3.07Å
199Q79.6Confident70.3Confident166 Ų16699.8 Ų99.878%0.77655%0.55SS**Hα-helixtrans-83.7-14179.4-67.3178.4-0.700113.3L195 A196 E197L195-Q199 PolarHBondContact O-N 2.96Å; A196-Q199 PolarHBondContact O-N 3.02Å; E197-Q199 PolarHBondContact O-N 3.48Å
200Q66.4Low67.5Low154 Ų154105.7 Ų105.772%0.7258%0.575SS**THydrogen-bonded Turntrans-92.43.3-179.1-71.2-17818.200113.9A196 E197 P202A196-Q200 WeakPolarHBondContact O-CG 3.49Å; A196-Q200 PolarHBondContact O-N 3.18Å; E197-Q200 PolarHBondContact O-N 3.19Å; Q200-P202 WeakPolarHBondContact O-CD 3.03Å
201I58Low64.4Low130 Ų130114.4 Ų114.467%0.66762%0.616SS**  trans-72.1112.4170.1-56.5175.2000107.4D203I201-D203 PolarHBondContact O-N 3.04Å
202P49.3Very low61.4Low109 Ų109117 Ų11771%0.70863%0.633SS**PPolyproline II helixtrans-70.4126.1173.3-5.923.5000107.9Q200 S204Q200-P202 WeakPolarHBondContact O-CD 3.03Å; P202-S204 PolarHBondContact O-N 3.11Å
203D43.3Very low58.4Low165 Ų165118.9 Ų118.988%0.88265%0.646SS**PPolyproline II helixtrans-50.5130.1154.3-85-33.6000107.6I201I201-D203 PolarHBondContact O-N 3.04Å
204S44.4Very low55.6Low109 Ų109126.2 Ų126.276%0.76268%0.678SS**PPolyproline II helixtrans-52.2151.1-176.5-78.10000112.3P202 G206P202-S204 PolarHBondContact O-N 3.11Å; S204-G206 PolarHBondContact O-N 3.14Å
205P46.1Very low52.7Low126 Ų126134.6 Ų134.682%0.81872%0.716SS**  trans-66.5109-174.926.8-31.9000109.9T207P205-T207 PolarHBondContact O-N 3.23Å
206G37.6Very low49.8Very low66 Ų66136 Ų13668%0.6873%0.729SS**  trans-59.7123.3158.200000108.6S204 Q208S204-G206 PolarHBondContact O-N 3.14Å; G206-Q208 PolarHBondContact O-N 2.84Å; G206-Q208 VanDerWaalsContact O-N 3.11Å
207T41.9Very low46.8Very low134 Ų134142.8 Ų142.882%0.82275%0.753SS**  trans-45.5113.6170.8-360000109.9P205P205-T207 PolarHBondContact O-N 3.23Å
208Q38.3Very low44.3Very low191 Ų191150.5 Ų150.589%0.89379%0.786SS**  trans-119.6116.3157.8-79.8-165.5-2100108.7G206G206-Q208 PolarHBondContact O-N 2.84Å; G206-Q208 VanDerWaalsContact O-N 3.11Å
209E32.5Very low41.8Very low177 Ų177153.5 Ų153.583%0.82780%0.803SS**  trans-60.4145.6-176.8-64.1173.1147.600111.4Q211E209-Q211 PolarHBondContact O-N 2.7Å
210H39.7Very low39.5Very low179 Ų179149.6 Ų149.683%0.82981%0.807SS**  trans-47.7127.4165.5-89.9-94.1000111.6
211Q33.7Very low37.7Very low184 Ų184153.9 Ų153.986%0.8682%0.816SS**  trans-120.4101.8146.4-80.9-170.61.100109.4E209 S213E209-Q211 PolarHBondContact O-N 2.7Å; Q211-S213 PolarHBondContact O-N 2.96Å
212D35.5Very low36.4Very low144 Ų144160 Ų16077%0.7783%0.831SS**  trans-52.7128159.2-96.5-28.6000109.8
213S34.1Very low35.4Very low115 Ų115158.4 Ų158.480%0.80483%0.834SS**  trans-137.1102.4157.627.80000109.2Q211Q211-S213 PolarHBondContact O-N 2.96Å
214Q37.8Very low34.7Very low171 Ų171154.2 Ų154.280%0.79983%0.83SS**  trans-66.6135.3166.5-62.4178.3-4.100109.5
215H33.1Very low34Very low180 Ų180158.5 Ų158.583%0.83384%0.838SS**  trans-162.8103.5142.2-104-56.4000113.5
216T31.6Very low33.2Very low117 Ų117155.9 Ų155.972%0.71883%0.834SS**  trans36.4117.8132.152.90000122.6
217H31.7Very low32.8Very low184 Ų184159.9 Ų159.985%0.85285%0.846SS**  trans7.3134145.6-71.1-60.4000121.8
218K32.5Very low32.2Very low213 Ų213161 Ų16193%0.92685%0.846SS**  -150129.7126.9-112.9173.4-174.7176.80113
219K31.6Very low31.8Very low210 Ų210160.7 Ų160.791%0.91384%0.842SS**  trans-67.8139.8174.9-80.9172.6172.1170.50111.4
220G29.2Very low31.7Very low83 Ų83160.4 Ų160.486%0.85684%0.841SS**  trans-145.3120.6160.100000109.3
221R29.8Very low31.1Very low245 Ų245159 Ų15993%0.92584%0.839SS**  trans-117.4131.2-170.6-162.4-175.7-167.6-178.63.5108
222R30.4Very low30.9Very low258 Ų258158.9 Ų158.997%0.97484%0.839SS**  trans157.3131.8158.1-91.6164.1-174.1-158.42.3106.9
223G28.1Very low30.4Very low75 Ų75158.8 Ų158.877%0.77384%0.838SS**  cis158.2132200000107.5
224G28Very low30Very low78 Ų78159.9 Ų159.980%0.80483%0.834SS**  trans67.3147.3167.600000115.9
225Q31.7Very low29.6Very low198 Ų198157 Ų15793%0.92583%0.828SS**  cis-148.7145.37.1-79.6169.5-20.600106.7
226G28.2Very low29.1Very low71 Ų71158.9 Ų158.973%0.73283%0.83SS**  trans-83.3151.7172.600000111.6
227T29.7Very low28.8Very low151 Ų151161.9 Ų161.993%0.92683%0.833SS**  trans-149.1129135.535.50000109.2
228N29Very low28.5Very low156 Ų156159.4 Ų159.483%0.83483%0.825SS**  trans-85.2157.7177.9-155.7-1.1000109.6
229K29.9Very low28.1Very low185 Ų185153 Ų15380%0.80482%0.82SS**  trans127.5139.5160.3-75.6174175.8-176.20112.2
230Q30.1Very low27.9Very low172 Ų172150.3 Ų150.380%0.80481%0.81SS**  cis-174.9139.1-25.4-142.4159.3-13.800103.9
231N27.7Very low27.8Very low148 Ų148156.1 Ų156.179%0.79182%0.815SS**  trans-51.2140170-95.9-17.6000112.3
232Q29.4Very low27.7Very low182 Ų182151.8 Ų151.885%0.8581%0.805SS**  trans-131.1110.1149.5-85.2-173.73.300110.2
233L25.3Very low27.4Very low143 Ų143149 Ų14975%0.74980%0.803SS**  trans-71.6133.8155.9-7997.9000108.5
234N26.2Very low27.3Very low137 Ų137150.4 Ų150.473%0.73380%0.796SS**  trans-91.8109.3164.2-87.1-19.6000109.7
235V28Very low27.1Very low110 Ų110154.6 Ų154.667%0.66780%0.8SS**  trans-94.5121.6168.7173.70000107.4K237V235-K237 HydrophobicContact CG1-CG 4.34Å
236Y23.2Very low26.8Very low221 Ų221148.7 Ų148.787%0.86779%0.792SS**  trans-100.1114.3163.8-76-82.2000109.3
237K25.8Very low26.5Very low179 Ų179151 Ų15178%0.77880%0.796SS**  trans-137.3149.4161.6-79.8-170.6174.2-176.10104V235V235-K237 HydrophobicContact CG1-CG 4.34Å
238L24.9Very low26.3Very low132 Ų132153 Ų15369%0.69179%0.794SS**  cis-162.9158.63.3-142.992.3000104.7
239G24.3Very low26.2Very low79 Ų79152.1 Ų152.181%0.81479%0.79SS**  trans-144.487.216300000109.8
240H27.7Very low26.2Very low154 Ų154154 Ų15471%0.71379%0.793SS**  trans-83.1131.6165.8-98.3-9000108.9
241Q26.3Very low26Very low205 Ų205148.7 Ų148.796%0.95879%0.785SS**  trans-131.4139.8140.6-80.3-175-13.100108.3
242H27.8Very low26.1Very low153 Ų153147.1 Ų147.171%0.70879%0.793SS**  trans-120.7124.3-164.7-158.9-99.9000104.8
243E25.1Very low26.1Very low201 Ų201143.5 Ų143.594%0.93979%0.787SS**  trans-138.4131.5158.6-95.6-177.2173.700108.4
244T25.7Very low26.4Very low103 Ų103142.2 Ų142.263%0.63279%0.79SS**  trans-95.8152.8-171.4470000110.9
245D23.9Very low26.6Very low167 Ų167143.6 Ų143.689%0.89380%0.797SS**  trans154.5134.7145.5-79.3-9.8000106.8
246G23.6Very low26.7Very low73 Ų73143.9 Ų143.975%0.75380%0.801SS**  cis-173.9159.74.300000107.1
247C23Very low27Very low120 Ų120141.9 Ų141.981%0.81180%0.8SS**  trans-54.9152.5-169.4-570000116.6
248H26Very low27.5Very low193 Ų193141.1 Ų141.189%0.89480%0.803SS**  -159.2126.1126.3-96.3-66.3000111.9
249D26.4Very low27.8Very low137 Ų137141.5 Ų141.573%0.73381%0.806SS**  trans-73134.2175.2170.735.2000111.6
250Y29Very low28.1Very low225 Ų225144.2 Ų144.288%0.88280%0.801SS**  trans-158.8116.7149.4-90.6-69.5000111.3
251G26Very low28.2Very low61 Ų61140.8 Ų140.863%0.62979%0.794SS**  80.810212400000117.7S253G251-S253 PolarHBondContact O-N 2.92Å
252A30.9Very low28.6Very low115 Ų115136.3 Ų136.395%0.9578%0.776SS**  trans-56.2116.616200000111.3
253S29Very low28.7Very low105 Ų105135.1 Ų135.173%0.73478%0.775SS**  trans-126.4123.2161.561.70000109.2G251 L255G251-S253 PolarHBondContact O-N 2.92Å; S253-L255 PolarHBondContact O-N 3.44Å
254S31.7Very low29.1Very low117 Ų117129.3 Ų129.382%0.81875%0.75SS**  trans-37.5119.7172.445.40000113.4
255L30.5Very low29.4Very low165 Ų165129.4 Ų129.486%0.86474%0.742SS**PPolyproline II helixtrans-62.7126.7169-77.9157.9000109.8S253S253-L255 PolarHBondContact O-N 3.44Å
256P29.6Very low29.8Very low117 Ų117125.2 Ų125.276%0.7672%0.722SS**PPolyproline II helixtrans-66.9143.8168.2-13.327.7000110.5
257E30.6Very low30.1Very low179 Ų179127.8 Ų127.884%0.83672%0.721SS**PPolyproline II helixtrans-60.2137.1178.7-67.8178.2141.200111.6D259E257-D259 PolarHBondContact O-N 2.97Å
258L34.8Very low30.5Very low163 Ų163128.2 Ų128.285%0.85372%0.716SS**THydrogen-bonded Turntrans-77.228-174.3-90.6155000114.3
259D31.8Very low30.7Very low140 Ų140124.6 Ų124.675%0.74971%0.706SS**THydrogen-bonded Turntrans-88.3-9.5-178.6-109.6-8.6000114.1E257E257-D259 PolarHBondContact O-N 2.97Å
260D29.9Very low31Very low135 Ų135123.9 Ų123.972%0.72271%0.705SS**  trans-93.211-177.9-79.4-13.3000115.3L262D260-L262 PolarHBondContact O-N 3.12Å
261C30.3Very low31.1Very low83 Ų83117.6 Ų117.656%0.56169%0.693SS**THydrogen-bonded Turntrans-81.94.3-177.7-149.20000114
262L35.3Very low31.5Very low111 Ų111121.3 Ų121.358%0.58170%0.698SS**THydrogen-bonded Turntrans-91.7-13.8179.7-75.1169.5000114.3D260 L264D260-L262 PolarHBondContact O-N 3.12Å; L262-L264 VanDerWaalsContact C-N 3.3Å; L262-L264 PolarHBondContact O-N 3.18Å
263D29.2Very low31.5Very low127 Ų127121.8 Ų121.868%0.67968%0.68SS**THydrogen-bonded Turntrans-90.712.3-178.8-72.4-14.2000113.8F265D263-F265 VanDerWaalsContact C-N 3.34Å; D263-F265 PolarHBondContact O-N 3.06Å
264L34.3Very low31.7Very low79 Ų79123.1 Ų123.141%0.41468%0.676SS.*THydrogen-bonded Turntrans-84.7-1.6-179.1-86.4151.8000114.3K65 L262K65-L264 HydrophobicContact CD-CD2 4.48Å; K65-L264 PolarHBondContact NZ-O 3.15Å; L262-L264 VanDerWaalsContact C-N 3.3Å; L262-L264 PolarHBondContact O-N 3.18Å
265F31Very low31.7Very low105 Ų105123.6 Ų123.646%0.46166%0.664SS.*  trans-137.16.7-171.1-68.8-73000117.8D263D263-F265 VanDerWaalsContact C-N 3.34Å; D263-F265 PolarHBondContact O-N 3.06Å
266T33.4Very low31.8Very low79 Ų79119.8 Ų119.849%0.48565%0.645SS.*  trans-96.30174.439.80000113.8L18 K20L18-T266 WeakPolarHBondContact O-CG2 3.35Å; K20-T266 WeakPolarHBondContact CE-OXT 3.12Å; K20-T266 WeakPolarHBondContact CG-OXT 3.25Å

Retrieved 266 of 266 residues in 227.9 ms (Link to these results)

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