A0A077Z2B1_TRITR Loading...

Adh short domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M46Very low86.1Confident239 Ų23969.9 Ų69.9100%1.17741%0.412SS*.  0134.80-75.4176.1-172.200107.5L3M1-L3 PolarHBondContact O-N 3.39Å
2S52.8Low87.1Confident118 Ų11864.1 Ų64.183%0.82538%0.378SS*.PPolyproline II helixtrans-55.2131.9162176.70000107.7G4S2-G4 PolarHBondContact O-N 3.18Å
3L77.5Confident88Confident144 Ų14459.2 Ų59.275%0.75435%0.349SS*.PPolyproline II helixtrans-57.6136.4165.5-73.3158.2000107.3M1M1-L3 PolarHBondContact O-N 3.39Å
4G86.8Confident88.8Confident26 Ų2655.1 Ų55.127%0.26833%0.325SS..PPolyproline II helixtrans-64.7151.8176.400000110.1S2 F6 S7 E31S2-G4 PolarHBondContact O-N 3.18Å; G4-F6 PolarHBondContact O-N 3.34Å; G4-S7 PolarHBondContact N-OG 3.2Å; G4-S7 WeakPolarHBondContact O-CB 3.42Å; G4-S7 PolarHBondContact O-N 3.3Å; G4-S7 PolarHBondContact O-OG 3.4Å; G4-E31 CarbonylContact C-O 3.48Å; G4-E31 VanDerWaalsContact CA-O 3.22Å; G4-E31 WeakPolarHBondContact CA-O 3.15Å
5R95.2Very high89.5Confident84 Ų8452.3 Ų52.332%0.31731%0.312SS..THydrogen-bonded Turntrans-54.5-25-177.6-178.9169.362.1162.6-1.9113.8E31 D267R5-E31 IonicContact CZ-OE2 2.75Å; R5-E31 PolarHBondContact N-O 3.3Å; R5-E31 VanDerWaalsContact N-O 3.09Å; R5-E31 IonicContact NE-OE2 2.89Å; R5-E31 PolarHBondContact NE-OE2 3.25Å; R5-E31 IonicContact NH2-OE1 3.53Å; R5-E31 IonicContact NH2-OE2 3.82Å; R5-E31 PolarHBondContact NH2-OE2 3.33Å; R5-D267 IonicContact NH1-OD2 2.91Å; R5-D267 PolarHBondContact NH1-OD2 3.34Å
6F98.2Very high90Very high0 Ų049 Ų490%029%0.292CS..THydrogen-bonded Turntrans-114.816.2179.1-56.1-66000113.4G4 G8 K9 E31 G32 A33 M88 L261 L264G4-F6 PolarHBondContact O-N 3.34Å; F6-G8 PolarHBondContact O-N 2.89Å; F6-K9 WeakPolarHBondContact O-CB 3.42Å; F6-K9 PolarHBondContact O-N 3.42Å; F6-E31 HydrophobicContact CD2-CB 3.66Å; F6-E31 HydrophobicContact CE2-CB 4.12Å; F6-E31 WeakPolarHBondContact CE2-OE2 3.41Å; F6-E31 PolarHBondContact N-O 2.75Å; F6-G32 CarbonylContact C-O 3.59Å; F6-G32 CarbonylContact O-C 3.39Å; F6-A33 HydrophobicContact CB-CB 3.67Å; F6-A33 HydrophobicContact CG-CB 4.42Å; F6-M88 HydrophobicContact CB-CE 3.95Å; F6-M88 HydrophobicContact CD1-CE 3.42Å; F6-M88 VanDerWaalsContact CD1-CE 3.42Å; F6-M88 HydrophobicContact CD1-SD 3.4Å; F6-M88 WeakPolarHBondContact CD1-SD 3.33Å; F6-M88 HydrophobicContact CE1-CE 4.1Å; F6-M88 HydrophobicContact CE1-SD 3.5Å; F6-M88 WeakPolarHBondContact CE1-SD 3.22Å; F6-M88 HydrophobicContact CG-CE 3.84Å; F6-M88 HydrophobicContact CG-SD 4.34Å; F6-L261 HydrophobicContact CE2-CB 4.15Å; F6-L261 HydrophobicContact CE2-CD2 3.71Å; F6-L261 HydrophobicContact CE2-CG 4.33Å; F6-L261 HydrophobicContact CZ-CB 4.03Å; F6-L261 HydrophobicContact CZ-CD2 3.91Å; F6-L264 HydrophobicContact CE1-CB 4.46Å
7S97.6Very high90.5Very high51 Ų5146.3 Ų46.336%0.35728%0.277SS..THydrogen-bonded Turntrans-53.1126.4176.9-76.10000111.6G4 K9 G32G4-S7 PolarHBondContact N-OG 3.2Å; G4-S7 WeakPolarHBondContact O-CB 3.42Å; G4-S7 PolarHBondContact O-N 3.3Å; G4-S7 PolarHBondContact O-OG 3.4Å; S7-K9 PolarHBondContact O-N 3.39Å; S7-G32 WeakPolarHBondContact CA-O 3.39Å
8G96.3Very high90.9Very high62 Ų6247.7 Ų47.764%0.63928%0.276SS*.THydrogen-bonded Turntrans77.12.8-179.300000115.1F6F6-G8 PolarHBondContact O-N 2.89Å
9K98.5Very high91.2Very high45 Ų4546.1 Ų46.120%0.19627%0.271CS..  trans-102.7143.6175.6-62.4-175.2-178.8178.40110.8F6 S7 A33 N34 D87 M88 D266F6-K9 WeakPolarHBondContact O-CB 3.42Å; F6-K9 PolarHBondContact O-N 3.42Å; S7-K9 PolarHBondContact O-N 3.39Å; K9-A33 WeakPolarHBondContact O-CA 3.2Å; K9-N34 PolarHBondContact O-N 3.01Å; K9-D87 WeakPolarHBondContact CA-OD2 3.1Å; K9-D87 HydrophobicContact CB-CB 3.9Å; K9-D87 HydrophobicContact CG-CB 4.25Å; K9-M88 HydrophobicContact CB-CE 3.72Å; K9-M88 HydrophobicContact CD-CE 4.47Å; K9-D266 IonicContact NZ-OD1 3.26Å; K9-D266 PolarHBondContact NZ-OD1 3.32Å; K9-D266 IonicContact NZ-OD2 2.73Å; K9-D266 PolarHBondContact NZ-OD2 2.96Å
10T98.9Very high91.5Very high0 Ų045.2 Ų45.20%027%0.265CS..EExtended strand (participates in β ladder)trans-105.1124.8178.1-57.50000110.8N34 V36 A79 F83 S85 D87 M88T10-N34 CarbonylContact C-O 3.32Å; T10-N34 WeakPolarHBondContact CA-O 3.45Å; T10-N34 HydrophobicContact CG2-CB 4.38Å; T10-V36 HydrophobicContact CG2-CG2 4.37Å; T10-A79 HydrophobicContact CG2-CB 4.37Å; T10-F83 HydrophobicContact CG2-CB 4.09Å; T10-F83 HydrophobicContact CG2-CD2 3.74Å; T10-F83 HydrophobicContact CG2-CG 4.29Å; T10-F83 VanDerWaalsContact OG1-CB 3.27Å; T10-F83 WeakPolarHBondContact OG1-CB 3.47Å; T10-S85 WeakPolarHBondContact CB-O 3.24Å; T10-S85 WeakPolarHBondContact CG2-O 3.26Å; T10-S85 PolarHBondContact OG1-O 3.13Å; T10-S85 PolarHBondContact OG1-OG 2.91Å; T10-S85 VanDerWaalsContact OG1-OG 3.13Å; T10-D87 PolarHBondContact N-OD2 3.33Å; T10-D87 PolarHBondContact O-N 2.8Å; T10-M88 PolarHBondContact O-N 2.96Å
11L98.9Very high91.8Very high0 Ų043.1 Ų43.10%025%0.253CS..EExtended strand (participates in β ladder)trans-107.1117.9175.2174.962.6000110.6V13 A28 A33 N34 V35 V36 M88 L90 L264L11-V13 HydrophobicContact CD1-CG2 4.3Å; L11-V13 HydrophobicContact CD2-CG2 3.78Å; L11-V13 HydrophobicContact CG-CG2 3.66Å; L11-A28 HydrophobicContact CD2-CB 3.5Å; L11-A28 VanDerWaalsContact CD2-CB 3.5Å; L11-A33 HydrophobicContact CB-CB 4.5Å; L11-N34 PolarHBondContact N-O 3.39Å; L11-V35 CarbonylContact O-C 3.5Å; L11-V35 WeakPolarHBondContact O-CA 3.28Å; L11-V36 PolarHBondContact O-N 2.96Å; L11-M88 WeakPolarHBondContact CA-O 3.24Å; L11-M88 HydrophobicContact CB-CB 4.25Å; L11-M88 HydrophobicContact CB-CE 4Å; L11-M88 HydrophobicContact CD1-CB 3.62Å; L11-L90 HydrophobicContact CD1-CB 4.3Å; L11-L264 HydrophobicContact CD1-CD1 3.83Å; L11-L264 HydrophobicContact CD2-CD1 4.46Å
12L99Very high94.3Very high0 Ų035.5 Ų35.50%021%0.211CC..EExtended strand (participates in β ladder)trans-88.7131.2166.9176.961.6000110V36 A38 M75 V76 L86 M88 A89 L90 E144L12-V36 HydrophobicContact CD1-CB 3.69Å; L12-V36 HydrophobicContact CD1-CG1 3.51Å; L12-A38 HydrophobicContact CD1-CB 3.94Å; L12-M75 HydrophobicContact CD1-CB 4.16Å; L12-M75 HydrophobicContact CD1-CG 4.29Å; L12-M75 HydrophobicContact CD1-SD 4.14Å; L12-M75 HydrophobicContact CD2-CE 3.84Å; L12-M75 HydrophobicContact CD2-CG 4.02Å; L12-M75 HydrophobicContact CD2-SD 3.9Å; L12-M75 HydrophobicContact CG-SD 4.34Å; L12-V76 HydrophobicContact CD2-CG2 3.92Å; L12-L86 HydrophobicContact CB-CD1 3.54Å; L12-L86 HydrophobicContact CD2-CD1 4.39Å; L12-M88 PolarHBondContact N-O 2.92Å; L12-A89 CarbonylContact O-C 3.52Å; L12-A89 WeakPolarHBondContact O-CA 3.46Å; L12-L90 PolarHBondContact O-N 3.47Å; L12-E144 HydrophobicContact CD2-CG 4.22Å
13V99Very high96.5Very high0 Ų029.9 Ų29.90%017%0.172CC..EExtended strand (participates in β ladder)trans-125.6105.7-179.5-174.20000110L11 A25 V35 V36 A38 L90L11-V13 HydrophobicContact CD1-CG2 4.3Å; L11-V13 HydrophobicContact CD2-CG2 3.78Å; L11-V13 HydrophobicContact CG-CG2 3.66Å; V13-A25 HydrophobicContact CG2-CB 4.26Å; V13-V35 HydrophobicContact CG2-CG1 4.32Å; V13-V36 PolarHBondContact N-O 2.93Å; V13-A38 PolarHBondContact O-N 3.19Å; V13-L90 WeakPolarHBondContact CA-O 3.37Å; V13-L90 HydrophobicContact CG1-CB 4.25Å; V13-L90 HydrophobicContact CG1-CD2 3.94Å; V13-L90 HydrophobicContact CG1-CG 4.29Å; V13-L90 HydrophobicContact CG2-CB 4.28Å
14T98.9Very high97.5Very high2 Ų223 Ų231%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-77.5143166.970.40000109.9G16 A38 V66 M75 L90 N91 A92 A93T14-G16 VanDerWaalsContact C-N 3.26Å; T14-A38 CarbonylContact C-O 3.53Å; T14-A38 VanDerWaalsContact CA-O 3.25Å; T14-A38 WeakPolarHBondContact CA-O 3.26Å; T14-A38 HydrophobicContact CG2-CB 4.33Å; T14-V66 HydrophobicContact CG2-CG1 3.94Å; T14-M75 HydrophobicContact CG2-CE 3.83Å; T14-M75 HydrophobicContact CG2-SD 3.7Å; T14-L90 PolarHBondContact N-O 2.9Å; T14-N91 WeakPolarHBondContact OG1-CA 3.15Å; T14-N91 PolarHBondContact OG1-OD1 3.2Å; T14-A92 CarbonylContact O-C 3.41Å; T14-A92 WeakPolarHBondContact O-CA 3.42Å; T14-A92 VanDerWaalsContact O-CB 3.27Å; T14-A92 WeakPolarHBondContact O-CB 3.41Å; T14-A92 PolarHBondContact O-N 3.49Å; T14-A92 VanDerWaalsContact O-N 3.13Å; T14-A92 PolarHBondContact OG1-N 3.05Å; T14-A93 PolarHBondContact O-N 3Å; T14-A93 VanDerWaalsContact O-N 3.14Å; T14-A93 PolarHBondContact OG1-N 2.82Å
15G98.5Very high98.1Very high13 Ų1321.8 Ų21.813%0.13412%0.124CC..THydrogen-bonded Turntrans71.226.1-172.400000112.2A17 G21 A38 D39G15-A17 VanDerWaalsContact C-N 3.3Å; G15-A17 PolarHBondContact O-N 2.92Å; G15-G21 WeakPolarHBondContact O-CA 2.74Å; G15-A38 PolarHBondContact N-O 2.99Å; G15-D39 WeakPolarHBondContact CA-OD2 3.42Å
16G98.5Very high98.2Very high0 Ų018 Ų180%011%0.109CC..THydrogen-bonded Turntrans-77.3-7.8-17300000115T14 R22 A38 D39T14-G16 VanDerWaalsContact C-N 3.26Å; G16-R22 VanDerWaalsContact O-CA 3.29Å; G16-R22 WeakPolarHBondContact O-CA 3.34Å; G16-R22 WeakPolarHBondContact O-CB 3.27Å; G16-R22 PolarHBondContact O-N 3.22Å; G16-A38 PolarHBondContact N-O 3.09Å; G16-D39 PolarHBondContact N-OD2 3.21Å
17A98.6Very high98.2Very high3 Ų321.5 Ų21.53%0.02512%0.123CC..THydrogen-bonded Turntrans-75-25.9-175.500000114G15 D39 L41 E44 T48G15-A17 VanDerWaalsContact C-N 3.3Å; G15-A17 PolarHBondContact O-N 2.92Å; A17-D39 HydrophobicContact CB-CB 3.68Å; A17-D39 WeakPolarHBondContact CB-OD2 3.35Å; A17-D39 PolarHBondContact N-OD2 3.17Å; A17-L41 HydrophobicContact CB-CB 4.03Å; A17-E44 HydrophobicContact CB-CB 3.86Å; A17-T48 PolarHBondContact O-OG1 3.43Å
18R97.7Very high98.3Very high71 Ų7119.1 Ų19.127%0.26811%0.106SC..SBendtrans-151.3178.4-177.366.4-173.8-175.9-174.81.9113.2M20 G21 R22 S101R18-M20 PolarHBondContact O-N 2.89Å; R18-G21 PolarHBondContact O-N 2.95Å; R18-R22 PolarHBondContact O-N 2.82Å; R18-S101 PolarHBondContact NH1-O 2.95Å; R18-S101 PolarHBondContact NH2-O 2.94Å; R18-S101 PolarHBondContact NH2-OG 3.14Å
19G96.4Very high98.4Very high18 Ų1816.7 Ų16.719%0.1868%0.08CC..Hα-helixtrans52.2-128.4175.600000113.8A23G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 3.06Å; G19-A23 VanDerWaalsContact O-N 3.11Å
20M96.4Very high98.4Very high28 Ų2822.7 Ų22.714%0.13810%0.101CC..Hα-helixtrans-77.6-34.2-172.3-64.4171.7-67.800113.6R18 A23 T24 I160 M205 T208 T210 V253 Q256R18-M20 PolarHBondContact O-N 2.89Å; M20-A23 PolarHBondContact O-N 3.19Å; M20-T24 VanDerWaalsContact O-CB 3.3Å; M20-T24 WeakPolarHBondContact O-CB 3.43Å; M20-T24 PolarHBondContact O-N 3.07Å; M20-T24 PolarHBondContact O-OG1 3.35Å; M20-I160 HydrophobicContact CE-CG2 3.98Å; M20-M205 HydrophobicContact CE-CE 4.18Å; M20-M205 HydrophobicContact CE-SD 3.46Å; M20-M205 WeakPolarHBondContact CE-SD 3.27Å; M20-M205 HydrophobicContact SD-CE 3.51Å; M20-M205 VanDerWaalsContact SD-CE 3.51Å; M20-M205 HydrophobicContact SD-SD 3.07Å; M20-T208 HydrophobicContact CG-CG2 4.19Å; M20-T208 HydrophobicContact SD-CG2 3.97Å; M20-T210 HydrophobicContact CE-CG2 4.35Å; M20-T210 HydrophobicContact CG-CG2 4Å; M20-T210 HydrophobicContact SD-CG2 4.46Å; M20-V253 HydrophobicContact CG-CB 4.34Å; M20-V253 HydrophobicContact CG-CG1 3.96Å; M20-Q256 HydrophobicContact CG-CB 4.47Å; M20-Q256 HydrophobicContact SD-CB 4.24Å; M20-Q256 HydrophobicContact SD-CG 4.19Å
21G98.4Very high98.3Very high2 Ų224.5 Ų24.52%0.02111%0.109CC..Hα-helixtrans-60.1-50.6174.100000110G15 R18 A23 T24 A25G15-G21 WeakPolarHBondContact O-CA 2.74Å; R18-G21 PolarHBondContact O-N 2.95Å; G21-A23 PolarHBondContact O-N 3.47Å; G21-T24 PolarHBondContact O-N 3.29Å; G21-A25 VanDerWaalsContact O-CB 3.29Å; G21-A25 WeakPolarHBondContact O-CB 3.46Å; G21-A25 PolarHBondContact O-N 2.97Å
22R98.7Very high98.3Very high78 Ų7825.7 Ų25.729%0.29412%0.122SC..Hα-helixtrans-56.8-50.4175.1177.9171.4178.8-80.4-0.3113G16 R18 T24 A25 I26 T48 E51G16-R22 VanDerWaalsContact O-CA 3.29Å; G16-R22 WeakPolarHBondContact O-CA 3.34Å; G16-R22 WeakPolarHBondContact O-CB 3.27Å; G16-R22 PolarHBondContact O-N 3.22Å; R18-R22 PolarHBondContact O-N 2.82Å; R22-T24 VanDerWaalsContact C-N 3.32Å; R22-T24 PolarHBondContact O-N 3.04Å; R22-A25 PolarHBondContact O-N 2.93Å; R22-I26 HydrophobicContact CG-CD1 3.77Å; R22-I26 WeakPolarHBondContact O-CG1 3.2Å; R22-I26 PolarHBondContact O-N 3.01Å; R22-T48 HydrophobicContact CB-CG2 4.33Å; R22-T48 VanDerWaalsContact CD-OG1 3.27Å; R22-T48 WeakPolarHBondContact CD-OG1 3.5Å; R22-T48 HydrophobicContact CG-CG2 3.78Å; R22-E51 IonicContact CZ-OE2 2.67Å; R22-E51 VanDerWaalsContact NH2-CD 3.35Å; R22-E51 IonicContact NH2-OE1 2.73Å; R22-E51 PolarHBondContact NH2-OE1 3.26Å; R22-E51 IonicContact NH2-OE2 3.5Å; R22-E51 PolarHBondContact NH2-OE2 3.21Å
23A98.5Very high98.3Very high1 Ų125.7 Ų25.71%0.00812%0.122CC..Hα-helixtrans-62-41-179.600000112.3G19 M20 G21 R27 V253 W254G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 3.06Å; G19-A23 VanDerWaalsContact O-N 3.11Å; M20-A23 PolarHBondContact O-N 3.19Å; G21-A23 PolarHBondContact O-N 3.47Å; A23-R27 WeakPolarHBondContact O-CB 3.46Å; A23-R27 PolarHBondContact O-N 2.73Å; A23-V253 HydrophobicContact CB-CB 3.62Å; A23-V253 HydrophobicContact CB-CG2 3.54Å; A23-W254 HydrophobicContact CB-CD2 4.38Å; A23-W254 HydrophobicContact CB-CE3 3.93Å; A23-W254 HydrophobicContact CB-CH2 4.14Å; A23-W254 HydrophobicContact CB-CZ3 3.81Å; A23-W254 VanDerWaalsContact O-CZ3 3.3Å; A23-W254 WeakPolarHBondContact O-CZ3 3.46Å
24T98.7Very high98.2Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-67.1-43.9177.7-53.80000111.2M20 G21 R22 R27 A28 L90 I260 L261M20-T24 VanDerWaalsContact O-CB 3.3Å; M20-T24 WeakPolarHBondContact O-CB 3.43Å; M20-T24 PolarHBondContact O-N 3.07Å; M20-T24 PolarHBondContact O-OG1 3.35Å; G21-T24 PolarHBondContact O-N 3.29Å; R22-T24 VanDerWaalsContact C-N 3.32Å; R22-T24 PolarHBondContact O-N 3.04Å; T24-R27 PolarHBondContact O-N 2.98Å; T24-A28 VanDerWaalsContact O-CB 3.24Å; T24-A28 WeakPolarHBondContact O-CB 3.46Å; T24-A28 PolarHBondContact O-N 3.5Å; T24-L90 HydrophobicContact CG2-CD2 3.75Å; T24-I260 HydrophobicContact CG2-CB 4.43Å; T24-I260 HydrophobicContact CG2-CG2 3.84Å; T24-L261 HydrophobicContact CG2-CD1 4.49Å; T24-L261 HydrophobicContact CG2-CD2 3.78Å; T24-L261 HydrophobicContact CG2-CG 3.94Å
25A98.9Very high98.2Very high0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-56.7-50.8175.600000112.2V13 G21 R22 R27 A28 A29 V35 I37 I52V13-A25 HydrophobicContact CG2-CB 4.26Å; G21-A25 VanDerWaalsContact O-CB 3.29Å; G21-A25 WeakPolarHBondContact O-CB 3.46Å; G21-A25 PolarHBondContact O-N 2.97Å; R22-A25 PolarHBondContact O-N 2.93Å; A25-R27 VanDerWaalsContact C-N 3.34Å; A25-R27 PolarHBondContact O-N 2.68Å; A25-A28 PolarHBondContact O-N 2.95Å; A25-A29 WeakPolarHBondContact O-CB 3.43Å; A25-A29 PolarHBondContact O-N 3.13Å; A25-V35 HydrophobicContact CB-CG1 3.77Å; A25-I37 HydrophobicContact CB-CD1 3.45Å; A25-I37 VanDerWaalsContact CB-CD1 3.45Å; A25-I52 HydrophobicContact CB-CD1 4.09Å
26I98.7Very high98.3Very high4 Ų426 Ų262%0.02112%0.121CC..Hα-helixtrans-59.9-45.6178.8-69.7166.1000110.8R22 R30 I52 W254R22-I26 HydrophobicContact CG-CD1 3.77Å; R22-I26 WeakPolarHBondContact O-CG1 3.2Å; R22-I26 PolarHBondContact O-N 3.01Å; I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.67Å; I26-R30 VanDerWaalsContact O-N 3.13Å; I26-I52 HydrophobicContact CG1-CD1 4.47Å; I26-I52 HydrophobicContact CG1-CG1 4.06Å; I26-W254 HydrophobicContact CB-CH2 4.49Å; I26-W254 HydrophobicContact CG2-CH2 4.27Å
27R98.3Very high98.3Very high74 Ų7426 Ų2628%0.27912%0.121SC..Hα-helixtrans-68.7-42180-176.9175.3164.3173.1-0.5112.2A23 T24 A25 A29 R30 E31 W254 L261A23-R27 WeakPolarHBondContact O-CB 3.46Å; A23-R27 PolarHBondContact O-N 2.73Å; T24-R27 PolarHBondContact O-N 2.98Å; A25-R27 VanDerWaalsContact C-N 3.34Å; A25-R27 PolarHBondContact O-N 2.68Å; R27-A29 VanDerWaalsContact C-N 3.31Å; R27-A29 PolarHBondContact O-N 3.16Å; R27-R30 WeakPolarHBondContact O-CB 3.47Å; R27-R30 PolarHBondContact O-N 3.38Å; R27-E31 IonicContact CZ-OE1 3.19Å; R27-E31 IonicContact NE-OE1 2.68Å; R27-E31 PolarHBondContact NE-OE1 2.99Å; R27-E31 IonicContact NH2-OE1 2.91Å; R27-E31 PolarHBondContact NH2-OE1 3.47Å; R27-E31 WeakPolarHBondContact O-CG 3.25Å; R27-E31 PolarHBondContact O-N 2.97Å; R27-W254 HydrophobicContact CB-CZ3 4.41Å; R27-L261 HydrophobicContact CB-CD1 3.84Å; R27-L261 VanDerWaalsContact CD-CD1 3.5Å; R27-L261 HydrophobicContact CG-CD1 3.46Å; R27-L261 VanDerWaalsContact CG-CD1 3.46Å
28A98.7Very high98.3Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-59.1-42.9176.800000111.5L11 T24 A25 E31 G32 A33 V35 L261L11-A28 HydrophobicContact CD2-CB 3.5Å; L11-A28 VanDerWaalsContact CD2-CB 3.5Å; T24-A28 VanDerWaalsContact O-CB 3.24Å; T24-A28 WeakPolarHBondContact O-CB 3.46Å; T24-A28 PolarHBondContact O-N 3.5Å; A25-A28 PolarHBondContact O-N 2.95Å; A28-E31 CarbonylContact O-C 3.44Å; A28-E31 VanDerWaalsContact O-C 3.29Å; A28-E31 WeakPolarHBondContact O-CA 3.31Å; A28-E31 PolarHBondContact O-N 3.35Å; A28-E31 VanDerWaalsContact O-N 3.09Å; A28-G32 PolarHBondContact O-N 2.81Å; A28-G32 VanDerWaalsContact O-N 3.14Å; A28-A33 HydrophobicContact CB-CB 3.96Å; A28-A33 VanDerWaalsContact O-CB 3.31Å; A28-A33 WeakPolarHBondContact O-CB 3.42Å; A28-A33 PolarHBondContact O-N 3.23Å; A28-V35 HydrophobicContact CB-CG2 4.39Å; A28-L261 HydrophobicContact CB-CD2 3.8Å
29A98.5Very high98.4Very high11 Ų1123.3 Ų23.39%0.09111%0.111CC..Hα-helixtrans-64-41.5176.500000112.5A25 R27 E31 G32 V35 I52A25-A29 WeakPolarHBondContact O-CB 3.43Å; A25-A29 PolarHBondContact O-N 3.13Å; R27-A29 VanDerWaalsContact C-N 3.31Å; R27-A29 PolarHBondContact O-N 3.16Å; A29-E31 PolarHBondContact O-N 3.14Å; A29-G32 PolarHBondContact O-N 3.09Å; A29-V35 HydrophobicContact CB-CG2 3.93Å; A29-I52 HydrophobicContact CB-CB 4.37Å; A29-I52 HydrophobicContact CB-CD1 4.33Å; A29-I52 HydrophobicContact CB-CG1 4.16Å; A29-I52 HydrophobicContact CB-CG2 3.37Å
30R97.6Very high98.4Very high172 Ų17225.5 Ų25.565%0.64911%0.114SC*.Hα-helixtrans-60.5-29.6171.9-72.5176.4178.5-1750112.6I26 R27 G32I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.67Å; I26-R30 VanDerWaalsContact O-N 3.13Å; R27-R30 WeakPolarHBondContact O-CB 3.47Å; R27-R30 PolarHBondContact O-N 3.38Å; R30-G32 VanDerWaalsContact C-N 3.3Å
31E97.8Very high98.5Very high37 Ų3724.2 Ų24.217%0.17311%0.108CC..THydrogen-bonded Turntrans-90.312.8175.2-66.6-176.4-149.200113G4 R5 F6 R27 A28 A29G4-E31 CarbonylContact C-O 3.48Å; G4-E31 VanDerWaalsContact CA-O 3.22Å; G4-E31 WeakPolarHBondContact CA-O 3.15Å; R5-E31 IonicContact CZ-OE2 2.75Å; R5-E31 PolarHBondContact N-O 3.3Å; R5-E31 VanDerWaalsContact N-O 3.09Å; R5-E31 IonicContact NE-OE2 2.89Å; R5-E31 PolarHBondContact NE-OE2 3.25Å; R5-E31 IonicContact NH2-OE1 3.53Å; R5-E31 IonicContact NH2-OE2 3.82Å; R5-E31 PolarHBondContact NH2-OE2 3.33Å; F6-E31 HydrophobicContact CD2-CB 3.66Å; F6-E31 HydrophobicContact CE2-CB 4.12Å; F6-E31 WeakPolarHBondContact CE2-OE2 3.41Å; F6-E31 PolarHBondContact N-O 2.75Å; R27-E31 IonicContact CZ-OE1 3.19Å; R27-E31 IonicContact NE-OE1 2.68Å; R27-E31 PolarHBondContact NE-OE1 2.99Å; R27-E31 IonicContact NH2-OE1 2.91Å; R27-E31 PolarHBondContact NH2-OE1 3.47Å; R27-E31 WeakPolarHBondContact O-CG 3.25Å; R27-E31 PolarHBondContact O-N 2.97Å; A28-E31 CarbonylContact O-C 3.44Å; A28-E31 VanDerWaalsContact O-C 3.29Å; A28-E31 WeakPolarHBondContact O-CA 3.31Å; A28-E31 PolarHBondContact O-N 3.35Å; A28-E31 VanDerWaalsContact O-N 3.09Å; A29-E31 PolarHBondContact O-N 3.14Å
32G97.9Very high98.5Very high25 Ų2526.6 Ų26.626%0.25812%0.122SC..THydrogen-bonded Turntrans96.54168.500000116.4F6 S7 A28 A29 R30F6-G32 CarbonylContact C-O 3.59Å; F6-G32 CarbonylContact O-C 3.39Å; S7-G32 WeakPolarHBondContact CA-O 3.39Å; A28-G32 PolarHBondContact O-N 2.81Å; A28-G32 VanDerWaalsContact O-N 3.14Å; A29-G32 PolarHBondContact O-N 3.09Å; R30-G32 VanDerWaalsContact C-N 3.3Å
33A98.7Very high98.5Very high1 Ų129.4 Ų29.41%0.00814%0.136CC..  trans-72.1146.2179.100000112.3F6 K9 L11 A28 V35 M88F6-A33 HydrophobicContact CB-CB 3.67Å; F6-A33 HydrophobicContact CG-CB 4.42Å; K9-A33 WeakPolarHBondContact O-CA 3.2Å; L11-A33 HydrophobicContact CB-CB 4.5Å; A28-A33 HydrophobicContact CB-CB 3.96Å; A28-A33 VanDerWaalsContact O-CB 3.31Å; A28-A33 WeakPolarHBondContact O-CB 3.42Å; A28-A33 PolarHBondContact O-N 3.23Å; A33-V35 HydrophobicContact CB-CG2 4.17Å; A33-M88 HydrophobicContact CB-CE 4.36Å
34N98.9Very high98.5Very high22 Ų2232.6 Ų32.612%0.11815%0.151CC..EExtended strand (participates in β ladder)trans-77.5133.9155.5-59.1-44.4000108.5K9 T10 L11 N58 F83K9-N34 PolarHBondContact O-N 3.01Å; T10-N34 CarbonylContact C-O 3.32Å; T10-N34 WeakPolarHBondContact CA-O 3.45Å; T10-N34 HydrophobicContact CG2-CB 4.38Å; L11-N34 PolarHBondContact N-O 3.39Å; N34-N58 HydrophobicContact CB-CB 4.42Å; N34-N58 VanDerWaalsContact OD1-CB 3.26Å; N34-N58 WeakPolarHBondContact OD1-CB 3.47Å; N34-N58 PolarHBondContact OD1-ND2 3.28Å; N34-F83 HydrophobicContact CB-CB 4.16Å; N34-F83 HydrophobicContact CB-CD1 3.55Å; N34-F83 HydrophobicContact CB-CD2 3.77Å; N34-F83 HydrophobicContact CB-CE1 3.76Å; N34-F83 HydrophobicContact CB-CE2 3.94Å; N34-F83 HydrophobicContact CB-CG 3.56Å; N34-F83 HydrophobicContact CB-CZ 3.94Å
35V98.9Very high98.5Very high0 Ų032.6 Ų32.60%015%0.151CC..EExtended strand (participates in β ladder)trans-122.3134.5-172.2-176.80000112L11 V13 A25 A28 A29 A33 I37 I52 N58 A59 I60L11-V35 CarbonylContact O-C 3.5Å; L11-V35 WeakPolarHBondContact O-CA 3.28Å; V13-V35 HydrophobicContact CG2-CG1 4.32Å; A25-V35 HydrophobicContact CB-CG1 3.77Å; A28-V35 HydrophobicContact CB-CG2 4.39Å; A29-V35 HydrophobicContact CB-CG2 3.93Å; A33-V35 HydrophobicContact CB-CG2 4.17Å; V35-I37 HydrophobicContact CG1-CD1 3.65Å; V35-I37 HydrophobicContact CG1-CG1 4.45Å; V35-I52 HydrophobicContact CB-CD1 4.33Å; V35-I52 HydrophobicContact CG1-CD1 4.21Å; V35-N58 PolarHBondContact N-O 3.41Å; V35-A59 HydrophobicContact CB-CB 4.33Å; V35-A59 CarbonylContact O-C 3.6Å; V35-A59 WeakPolarHBondContact O-CA 3.38Å; V35-I60 PolarHBondContact O-N 3.22Å
36V98.9Very high98.5Very high0 Ų036.9 Ų36.90%017%0.171CC..EExtended strand (participates in β ladder)trans-112.9114.4170.6-177.70000108.5T10 L11 L12 V13 A38 I60 V62 A79 F83T10-V36 HydrophobicContact CG2-CG2 4.37Å; L11-V36 PolarHBondContact O-N 2.96Å; L12-V36 HydrophobicContact CD1-CB 3.69Å; L12-V36 HydrophobicContact CD1-CG1 3.51Å; V13-V36 PolarHBondContact N-O 2.93Å; V36-A38 PolarHBondContact O-N 3.13Å; V36-I60 HydrophobicContact CB-CG1 4.37Å; V36-I60 HydrophobicContact CG1-CD1 4.33Å; V36-I60 HydrophobicContact CG1-CG1 4.18Å; V36-I60 HydrophobicContact CG2-CD1 4.13Å; V36-I60 HydrophobicContact CG2-CG1 3.9Å; V36-V62 HydrophobicContact CG1-CG2 3.88Å; V36-A79 HydrophobicContact CB-CB 4.48Å; V36-A79 HydrophobicContact CG2-CB 3.64Å; V36-F83 HydrophobicContact CG2-CD2 3.97Å; V36-F83 HydrophobicContact CG2-CE2 3.77Å
37I98.9Very high98.5Very high0 Ų041 Ų410%019%0.19CC..EExtended strand (participates in β ladder)trans-86106.7174.8-52.8-58.3000107.6A25 V35 T48 A49 I52 I60 Y61 V62A25-I37 HydrophobicContact CB-CD1 3.45Å; A25-I37 VanDerWaalsContact CB-CD1 3.45Å; V35-I37 HydrophobicContact CG1-CD1 3.65Å; V35-I37 HydrophobicContact CG1-CG1 4.45Å; I37-T48 HydrophobicContact CD1-CG2 3.74Å; I37-T48 HydrophobicContact CG1-CG2 4.11Å; I37-A49 HydrophobicContact CG1-CB 4.2Å; I37-I52 HydrophobicContact CD1-CD1 4.24Å; I37-I60 PolarHBondContact N-O 3.34Å; I37-Y61 HydrophobicContact CB-CD2 4.23Å; I37-Y61 HydrophobicContact CG2-CD2 3.98Å; I37-Y61 CarbonylContact O-C 3.56Å; I37-Y61 WeakPolarHBondContact O-CA 3.41Å; I37-Y61 WeakPolarHBondContact O-CD2 3.45Å; I37-V62 PolarHBondContact O-N 2.91Å
38A98.9Very high98.5Very high1 Ų137.5 Ų37.51%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-105115.2174.200000109.5L12 V13 T14 G15 G16 V36 V62 T64 M75L12-A38 HydrophobicContact CD1-CB 3.94Å; V13-A38 PolarHBondContact O-N 3.19Å; T14-A38 CarbonylContact C-O 3.53Å; T14-A38 VanDerWaalsContact CA-O 3.25Å; T14-A38 WeakPolarHBondContact CA-O 3.26Å; T14-A38 HydrophobicContact CG2-CB 4.33Å; G15-A38 PolarHBondContact N-O 2.99Å; G16-A38 PolarHBondContact N-O 3.09Å; V36-A38 PolarHBondContact O-N 3.13Å; A38-V62 WeakPolarHBondContact CA-O 3.35Å; A38-T64 HydrophobicContact CB-CG2 4.37Å; A38-M75 HydrophobicContact CB-CB 4.14Å; A38-M75 HydrophobicContact CB-SD 3.75Å
39D98.8Very high98.6Very high15 Ų1537.7 Ų37.78%0.0818%0.179CC..EExtended strand (participates in β ladder)trans-158.8161.1-178.5-151-68000109.7G15 G16 A17 L41 Y61 V62 Q63 T64G15-D39 WeakPolarHBondContact CA-OD2 3.42Å; G16-D39 PolarHBondContact N-OD2 3.21Å; A17-D39 HydrophobicContact CB-CB 3.68Å; A17-D39 WeakPolarHBondContact CB-OD2 3.35Å; A17-D39 PolarHBondContact N-OD2 3.17Å; D39-L41 PolarHBondContact OD1-N 2.78Å; D39-Y61 HydrophobicContact CB-CE2 4.23Å; D39-Y61 PolarHBondContact O-OH 3.27Å; D39-V62 PolarHBondContact N-O 2.96Å; D39-Q63 CarbonylContact O-C 3.58Å; D39-Q63 VanDerWaalsContact O-CA 3.3Å; D39-Q63 WeakPolarHBondContact O-CA 3.31Å; D39-T64 CarbonylContact C-O 3.56Å; D39-T64 PolarHBondContact O-N 3.21Å
40W98.1Very high98.6Very high64 Ų6441.3 Ų41.324%0.24219%0.193CC..SBendtrans-89.9-16.4172.670.5-19.9000113.1V42 T64 Y100 S101W40-V42 PolarHBondContact O-N 3.38Å; W40-V42 VanDerWaalsContact O-N 3.15Å; W40-T64 PolarHBondContact N-O 3.15Å; W40-Y100 AromaticContact CD2-CD2 3.84Å; W40-Y100 HydrophobicContact CD2-CD2 3.84Å; W40-Y100 AromaticContact CD2-CE2 3.55Å; W40-Y100 HydrophobicContact CD2-CE2 3.55Å; W40-Y100 AromaticContact CE2-CD2 3.81Å; W40-Y100 AromaticContact CE2-CE2 3.76Å; W40-Y100 AromaticContact CE3-CD2 3.61Å; W40-Y100 HydrophobicContact CE3-CD2 3.61Å; W40-Y100 AromaticContact CE3-CE2 3.63Å; W40-Y100 HydrophobicContact CE3-CE2 3.63Å; W40-Y100 HydrophobicContact CG-CE2 4.16Å; W40-Y100 AromaticContact CH2-CD2 3.44Å; W40-Y100 HydrophobicContact CH2-CD2 3.44Å; W40-Y100 VanDerWaalsContact CH2-CD2 3.44Å; W40-Y100 HydrophobicContact CH2-CE2 4.19Å; W40-Y100 HydrophobicContact CH2-CG 4.28Å; W40-Y100 AromaticContact CZ2-CD2 3.65Å; W40-Y100 HydrophobicContact CZ2-CD2 3.65Å; W40-Y100 HydrophobicContact CZ2-CE2 4.1Å; W40-Y100 HydrophobicContact CZ2-CG 4.47Å; W40-Y100 AromaticContact CZ3-CD2 3.42Å; W40-Y100 HydrophobicContact CZ3-CD2 3.42Å; W40-Y100 VanDerWaalsContact CZ3-CD2 3.42Å; W40-Y100 AromaticContact CZ3-CE2 3.96Å; W40-Y100 HydrophobicContact CZ3-CE2 3.96Å; W40-S101 VanDerWaalsContact CZ2-CB 3.45Å
41L98.4Very high98.6Very high2 Ų235.5 Ų35.51%0.0117%0.174CC..  trans-8191.2177.7-62.1-176.9000109.9A17 D39 K43 E44 G45 Y100A17-L41 HydrophobicContact CB-CB 4.03Å; D39-L41 PolarHBondContact OD1-N 2.78Å; L41-K43 PolarHBondContact O-N 3.15Å; L41-E44 HydrophobicContact CB-CB 4.28Å; L41-G45 PolarHBondContact O-N 3.12Å; L41-Y100 HydrophobicContact CD2-CE1 4.42Å; L41-Y100 HydrophobicContact CD2-CE2 4.29Å
42V98.4Very high98.7Very high52 Ų5233.9 Ų33.932%0.31517%0.166SC..Hα-helixtrans-56.5-51.3-171179.40000113.2W40 Q46 Y61 Q63W40-V42 PolarHBondContact O-N 3.38Å; W40-V42 VanDerWaalsContact O-N 3.15Å; V42-Q46 WeakPolarHBondContact O-CB 3.44Å; V42-Q46 VanDerWaalsContact O-CG 3.24Å; V42-Q46 WeakPolarHBondContact O-CG 3.48Å; V42-Q46 PolarHBondContact O-N 3.36Å; V42-Y61 VanDerWaalsContact CA-OH 3.26Å; V42-Y61 WeakPolarHBondContact CA-OH 3.27Å; V42-Y61 HydrophobicContact CB-CE1 4.46Å; V42-Y61 HydrophobicContact CG1-CE1 4.13Å; V42-Q63 HydrophobicContact CG2-CG 4.17Å
43K98.4Very high98.7Very high136 Ų13637.5 Ų37.559%0.59118%0.177SC*.Hα-helixtrans-64.9-52.2-175-179.4-175.7170.6-171.10110.9L41 G45 Q46 E47L41-K43 PolarHBondContact O-N 3.15Å; K43-G45 VanDerWaalsContact C-N 3.33Å; K43-G45 PolarHBondContact O-N 2.94Å; K43-Q46 PolarHBondContact O-N 2.85Å; K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 2.66Å
44E98.6Very high98.7Very high69 Ų6945.2 Ų45.232%0.32221%0.205SC..Hα-helixtrans-66.9-34.4-177.1-63.990.8152.700112.3A17 L41 T48A17-E44 HydrophobicContact CB-CB 3.86Å; L41-E44 HydrophobicContact CB-CB 4.28Å; E44-T48 PolarHBondContact O-N 3.44Å; E44-T48 PolarHBondContact O-OG1 2.93Å
45G98.7Very high98.6Very high0 Ų048.9 Ų48.90%023%0.225CC..Hα-helixtrans-66.4-44.1174.100000112.5L41 K43 T48 A49 Y61L41-G45 PolarHBondContact O-N 3.12Å; K43-G45 VanDerWaalsContact C-N 3.33Å; K43-G45 PolarHBondContact O-N 2.94Å; G45-T48 PolarHBondContact O-N 3.22Å; G45-A49 PolarHBondContact O-N 3.41Å; G45-A49 VanDerWaalsContact O-N 3.13Å; G45-Y61 VanDerWaalsContact C-CD2 3.49Å
46Q98.7Very high98.6Very high90 Ų9052.3 Ų52.342%0.42126%0.26SS..Hα-helixtrans-63-47.4173.6-74.1174.1-20.700111.5V42 K43 T48 A49 E50 Y61V42-Q46 WeakPolarHBondContact O-CB 3.44Å; V42-Q46 VanDerWaalsContact O-CG 3.24Å; V42-Q46 WeakPolarHBondContact O-CG 3.48Å; V42-Q46 PolarHBondContact O-N 3.36Å; K43-Q46 PolarHBondContact O-N 2.85Å; Q46-T48 PolarHBondContact O-N 2.93Å; Q46-A49 PolarHBondContact O-N 2.93Å; Q46-A49 VanDerWaalsContact O-N 3.08Å; Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 2.82Å; Q46-Y61 HydrophobicContact CG-CD1 3.61Å; Q46-Y61 HydrophobicContact CG-CE1 4.2Å; Q46-Y61 HydrophobicContact CG-CG 4.02Å
47E98.8Very high98.5Very high89 Ų8953 Ų5342%0.41627%0.268SS..Hα-helixtrans-55.9-39.2177.4-76174.2177.900112.1K43 E51K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 2.66Å; E47-E51 WeakPolarHBondContact O-CB 3.41Å; E47-E51 PolarHBondContact O-N 2.9Å
48T98.8Very high98.5Very high1 Ų157.3 Ų57.31%0.00629%0.291CS..Hα-helixtrans-65.5-46.4175.7-62.40000112.2A17 R22 I37 E44 G45 Q46 E51 I52A17-T48 PolarHBondContact O-OG1 3.43Å; R22-T48 HydrophobicContact CB-CG2 4.33Å; R22-T48 VanDerWaalsContact CD-OG1 3.27Å; R22-T48 WeakPolarHBondContact CD-OG1 3.5Å; R22-T48 HydrophobicContact CG-CG2 3.78Å; I37-T48 HydrophobicContact CD1-CG2 3.74Å; I37-T48 HydrophobicContact CG1-CG2 4.11Å; E44-T48 PolarHBondContact O-N 3.44Å; E44-T48 PolarHBondContact O-OG1 2.93Å; G45-T48 PolarHBondContact O-N 3.22Å; Q46-T48 PolarHBondContact O-N 2.93Å; T48-E51 PolarHBondContact O-N 3.11Å; T48-I52 HydrophobicContact CG2-CD1 4.38Å; T48-I52 WeakPolarHBondContact O-CG1 3.25Å; T48-I52 PolarHBondContact O-N 3.48Å; T48-I52 VanDerWaalsContact O-N 3.13Å
49A98.8Very high98.5Very high5 Ų557.5 Ų57.54%0.04129%0.292CS..Hα-helixtrans-63.9-43.1178.200000111.5I37 G45 Q46 E51 I52 Q53 A59I37-A49 HydrophobicContact CG1-CB 4.2Å; G45-A49 PolarHBondContact O-N 3.41Å; G45-A49 VanDerWaalsContact O-N 3.13Å; Q46-A49 PolarHBondContact O-N 2.93Å; Q46-A49 VanDerWaalsContact O-N 3.08Å; A49-E51 PolarHBondContact O-N 3.38Å; A49-I52 WeakPolarHBondContact O-CB 3.48Å; A49-I52 PolarHBondContact O-N 2.81Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.39Å; A49-Q53 PolarHBondContact O-N 3.31Å; A49-A59 HydrophobicContact CB-CB 4.13Å
50E98.7Very high98.5Very high86 Ų8658.5 Ų58.540%0.40230%0.297SS..Hα-helixtrans-63.2-39.8176.1-70.8177-174.400112.4Q46 I52 Q53 R54Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 2.82Å; E50-I52 VanDerWaalsContact C-N 3.31Å; E50-I52 PolarHBondContact O-N 3.39Å; E50-Q53 PolarHBondContact O-N 2.89Å; E50-R54 WeakPolarHBondContact O-CB 3.2Å; E50-R54 VanDerWaalsContact O-CG 3.32Å; E50-R54 WeakPolarHBondContact O-CG 3.33Å; E50-R54 PolarHBondContact O-N 2.79Å; E50-R54 IonicContact OE2-NH1 3.39Å; E50-R54 PolarHBondContact OE2-NH1 2.98Å
51E98.7Very high98.5Very high50 Ų5057.5 Ų57.523%0.23429%0.293CS..Hα-helixtrans-62.7-40.2175.9179.9174.7155.700111.8R22 E47 T48 A49 N55R22-E51 IonicContact CZ-OE2 2.67Å; R22-E51 VanDerWaalsContact NH2-CD 3.35Å; R22-E51 IonicContact NH2-OE1 2.73Å; R22-E51 PolarHBondContact NH2-OE1 3.26Å; R22-E51 IonicContact NH2-OE2 3.5Å; R22-E51 PolarHBondContact NH2-OE2 3.21Å; E47-E51 WeakPolarHBondContact O-CB 3.41Å; E47-E51 PolarHBondContact O-N 2.9Å; T48-E51 PolarHBondContact O-N 3.11Å; A49-E51 PolarHBondContact O-N 3.38Å; E51-N55 WeakPolarHBondContact O-CB 3.16Å; E51-N55 PolarHBondContact O-N 3.31Å; E51-N55 VanDerWaalsContact O-N 3.14Å; E51-N55 PolarHBondContact O-ND2 3.01Å
52I98.8Very high98.5Very high3 Ų358.5 Ų58.52%0.01530%0.3CS..Hα-helixtrans-60.7-47.8173.8-70.7167.7000110.2A25 I26 A29 V35 I37 T48 A49 E50 N55 G56 G57 A59A25-I52 HydrophobicContact CB-CD1 4.09Å; I26-I52 HydrophobicContact CG1-CD1 4.47Å; I26-I52 HydrophobicContact CG1-CG1 4.06Å; A29-I52 HydrophobicContact CB-CB 4.37Å; A29-I52 HydrophobicContact CB-CD1 4.33Å; A29-I52 HydrophobicContact CB-CG1 4.16Å; A29-I52 HydrophobicContact CB-CG2 3.37Å; V35-I52 HydrophobicContact CB-CD1 4.33Å; V35-I52 HydrophobicContact CG1-CD1 4.21Å; I37-I52 HydrophobicContact CD1-CD1 4.24Å; T48-I52 HydrophobicContact CG2-CD1 4.38Å; T48-I52 WeakPolarHBondContact O-CG1 3.25Å; T48-I52 PolarHBondContact O-N 3.48Å; T48-I52 VanDerWaalsContact O-N 3.13Å; A49-I52 WeakPolarHBondContact O-CB 3.48Å; A49-I52 PolarHBondContact O-N 2.81Å; E50-I52 VanDerWaalsContact C-N 3.31Å; E50-I52 PolarHBondContact O-N 3.39Å; I52-N55 CarbonylContact O-C 3.23Å; I52-N55 PolarHBondContact O-N 3.44Å; I52-G56 PolarHBondContact O-N 2.94Å; I52-G57 PolarHBondContact O-N 2.83Å; I52-A59 HydrophobicContact CB-CB 3.79Å; I52-A59 HydrophobicContact CD1-CB 3.98Å; I52-A59 HydrophobicContact CG2-CB 3.61Å
53Q98.6Very high98.6Very high102 Ų10262 Ų6248%0.47731%0.312SS..Hα-helixtrans-63-44.2179.4-69168.8-5.800112.6A49 E50 N55 G56 G57 A59A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.39Å; A49-Q53 PolarHBondContact O-N 3.31Å; E50-Q53 PolarHBondContact O-N 2.89Å; Q53-N55 PolarHBondContact O-N 3.45Å; Q53-G56 PolarHBondContact O-N 2.89Å; Q53-G57 WeakPolarHBondContact CA-O 3.4Å; Q53-A59 PolarHBondContact NE2-O 3.05Å
54R98.4Very high98.6Very high163 Ų16355.7 Ų55.762%0.61529%0.285SS*.Hα-helixtrans-59-30.6175.2-76.7-171.6-65.8-100.9-0.4112.2E50 G56E50-R54 WeakPolarHBondContact O-CB 3.2Å; E50-R54 VanDerWaalsContact O-CG 3.32Å; E50-R54 WeakPolarHBondContact O-CG 3.33Å; E50-R54 PolarHBondContact O-N 2.79Å; E50-R54 IonicContact OE2-NH1 3.39Å; E50-R54 PolarHBondContact OE2-NH1 2.98Å; R54-G56 VanDerWaalsContact C-N 3.29Å
55N98Very high98.6Very high98 Ų9854.8 Ų54.852%0.52428%0.283SS..THydrogen-bonded Turntrans-88.911.8175.5-69-53000113.5E51 I52 Q53E51-N55 WeakPolarHBondContact O-CB 3.16Å; E51-N55 PolarHBondContact O-N 3.31Å; E51-N55 VanDerWaalsContact O-N 3.14Å; E51-N55 PolarHBondContact O-ND2 3.01Å; I52-N55 CarbonylContact O-C 3.23Å; I52-N55 PolarHBondContact O-N 3.44Å; Q53-N55 PolarHBondContact O-N 3.45Å
56G97.4Very high98.6Very high72 Ų7255.2 Ų55.274%0.74229%0.286SS*.THydrogen-bonded Turntrans828.4175.900000115.4I52 Q53 R54I52-G56 PolarHBondContact O-N 2.94Å; Q53-G56 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact C-N 3.29Å
57G97.9Very high98.6Very high15 Ų1552.7 Ų52.716%0.15528%0.278CS..  trans-88165.9175.400000113.2I52 Q53I52-G57 PolarHBondContact O-N 2.83Å; Q53-G57 WeakPolarHBondContact CA-O 3.4Å
58N98.3Very high98.6Very high91 Ų9151.5 Ų51.549%0.48727%0.274SS..EExtended strand (participates in β ladder)trans-98.1116.4176.9-65.9-44.5000110.1N34 V35 F83N34-N58 HydrophobicContact CB-CB 4.42Å; N34-N58 VanDerWaalsContact OD1-CB 3.26Å; N34-N58 WeakPolarHBondContact OD1-CB 3.47Å; N34-N58 PolarHBondContact OD1-ND2 3.28Å; V35-N58 PolarHBondContact N-O 3.41Å; N58-F83 HydrophobicContact CB-CE1 3.93Å; N58-F83 HydrophobicContact CB-CZ 4.31Å
59A98.8Very high98.6Very high5 Ų554 Ų544%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-142.5152.9174.300000113.5V35 A49 I52 Q53V35-A59 HydrophobicContact CB-CB 4.33Å; V35-A59 CarbonylContact O-C 3.6Å; V35-A59 WeakPolarHBondContact O-CA 3.38Å; A49-A59 HydrophobicContact CB-CB 4.13Å; I52-A59 HydrophobicContact CB-CB 3.79Å; I52-A59 HydrophobicContact CD1-CB 3.98Å; I52-A59 HydrophobicContact CG2-CB 3.61Å; Q53-A59 PolarHBondContact NE2-O 3.05Å
60I98.8Very high98.6Very high35 Ų3561.8 Ų61.818%0.17932%0.323CS..EExtended strand (participates in β ladder)trans-132155.8163.458.1164000110.1V35 V36 I37 V62 A78 K82 F83V35-I60 PolarHBondContact O-N 3.22Å; V36-I60 HydrophobicContact CB-CG1 4.37Å; V36-I60 HydrophobicContact CG1-CD1 4.33Å; V36-I60 HydrophobicContact CG1-CG1 4.18Å; V36-I60 HydrophobicContact CG2-CD1 4.13Å; V36-I60 HydrophobicContact CG2-CG1 3.9Å; I37-I60 PolarHBondContact N-O 3.34Å; I60-V62 HydrophobicContact CD1-CG2 4.19Å; I60-A78 HydrophobicContact CD1-CB 4.38Å; I60-K82 HydrophobicContact CD1-CB 3.82Å; I60-K82 HydrophobicContact CD1-CG 4.03Å; I60-K82 HydrophobicContact CG1-CG 4.41Å; I60-K82 HydrophobicContact CG2-CD 3.99Å; I60-K82 HydrophobicContact CG2-CG 3.77Å; I60-F83 HydrophobicContact CG1-CE2 4.03Å; I60-F83 HydrophobicContact CG1-CZ 4.46Å; I60-F83 HydrophobicContact CG2-CZ 4.45Å
61Y98.9Very high98.6Very high43 Ų4359.7 Ų59.717%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-105.6139.9170.4169.7-103.7000110.3I37 D39 V42 G45 Q46 Q63I37-Y61 HydrophobicContact CB-CD2 4.23Å; I37-Y61 HydrophobicContact CG2-CD2 3.98Å; I37-Y61 CarbonylContact O-C 3.56Å; I37-Y61 WeakPolarHBondContact O-CA 3.41Å; I37-Y61 WeakPolarHBondContact O-CD2 3.45Å; D39-Y61 HydrophobicContact CB-CE2 4.23Å; D39-Y61 PolarHBondContact O-OH 3.27Å; V42-Y61 VanDerWaalsContact CA-OH 3.26Å; V42-Y61 WeakPolarHBondContact CA-OH 3.27Å; V42-Y61 HydrophobicContact CB-CE1 4.46Å; V42-Y61 HydrophobicContact CG1-CE1 4.13Å; G45-Y61 VanDerWaalsContact C-CD2 3.49Å; Q46-Y61 HydrophobicContact CG-CD1 3.61Å; Q46-Y61 HydrophobicContact CG-CE1 4.2Å; Q46-Y61 HydrophobicContact CG-CG 4.02Å; Y61-Q63 HydrophobicContact CE1-CB 4.17Å; Y61-Q63 WeakPolarHBondContact OH-CA 3.37Å
62V98.8Very high98.6Very high23 Ų2357.3 Ų57.314%0.13930%0.303CS..EExtended strand (participates in β ladder)trans-132.5122.8174.3-175.80000108.1V36 I37 A38 D39 I60 T64 M75 A78V36-V62 HydrophobicContact CG1-CG2 3.88Å; I37-V62 PolarHBondContact O-N 2.91Å; A38-V62 WeakPolarHBondContact CA-O 3.35Å; D39-V62 PolarHBondContact N-O 2.96Å; I60-V62 HydrophobicContact CD1-CG2 4.19Å; V62-T64 PolarHBondContact O-N 3.4Å; V62-T64 PolarHBondContact O-OG1 3.27Å; V62-M75 HydrophobicContact CG1-CB 4.23Å; V62-A78 HydrophobicContact CG2-CB 3.64Å
63Q98.7Very high98.6Very high125 Ų12561.1 Ų61.158%0.58432%0.318SS*.EExtended strand (participates in β ladder)trans-66.4127.4173.5-171.8176.61300109.6D39 V42 Y61D39-Q63 CarbonylContact O-C 3.58Å; D39-Q63 VanDerWaalsContact O-CA 3.3Å; D39-Q63 WeakPolarHBondContact O-CA 3.31Å; V42-Q63 HydrophobicContact CG2-CG 4.17Å; Y61-Q63 HydrophobicContact CE1-CB 4.17Å; Y61-Q63 WeakPolarHBondContact OH-CA 3.37Å
64T98.9Very high98.6Very high4 Ų458.3 Ų58.33%0.02531%0.312CS..  trans-149.2117.4-173.4-60.30000111.1A38 D39 W40 V62 V66 D71 M75A38-T64 HydrophobicContact CB-CG2 4.37Å; D39-T64 CarbonylContact C-O 3.56Å; D39-T64 PolarHBondContact O-N 3.21Å; W40-T64 PolarHBondContact N-O 3.15Å; V62-T64 PolarHBondContact O-N 3.4Å; V62-T64 PolarHBondContact O-OG1 3.27Å; T64-V66 HydrophobicContact CG2-CG1 4.14Å; T64-D71 HydrophobicContact CG2-CB 4.05Å; T64-M75 HydrophobicContact CG2-CG 4.44Å; T64-M75 HydrophobicContact CG2-SD 3.79Å
65D98.7Very high98.6Very high50 Ų5050.6 Ų50.627%0.26728%0.283SS..  trans-89.4107.8156.9178.5-2.1000109.1S67 N68 D71D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 VanDerWaalsContact O-N 3.11Å; D65-S67 WeakPolarHBondContact OD1-CA 3.36Å; D65-S67 WeakPolarHBondContact OD1-CB 3.33Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 3.24Å; D65-S67 PolarHBondContact OD2-OG 3.43Å; D65-N68 HydrophobicContact CB-CB 4.29Å; D65-N68 WeakPolarHBondContact O-CB 3.22Å; D65-N68 PolarHBondContact O-N 3.2Å; D65-D71 PolarHBondContact N-OD2 3.35Å; D65-D71 WeakPolarHBondContact O-CB 3.37Å
66V98.8Very high98.7Very high10 Ų1046.2 Ų46.26%0.06126%0.26CS..THydrogen-bonded Turntrans-61.8-21.2179.9-650000113T14 T64 N68 T72 A93 I132 G136T14-V66 HydrophobicContact CG2-CG1 3.94Å; T64-V66 HydrophobicContact CG2-CG1 4.14Å; V66-N68 PolarHBondContact O-N 3Å; V66-T72 HydrophobicContact CB-CG2 4.45Å; V66-A93 HydrophobicContact CG1-CB 3.89Å; V66-A93 HydrophobicContact CG2-CB 3.88Å; V66-I132 HydrophobicContact CG2-CG2 4.2Å; V66-G136 VanDerWaalsContact O-CA 3.23Å; V66-G136 WeakPolarHBondContact O-CA 3.38Å
67S98.5Very high98.7Very high37 Ų3748.9 Ų48.926%0.25925%0.253SS..THydrogen-bonded Turntrans-70.1-18.3174.685.20000112.3D65 K139D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 VanDerWaalsContact O-N 3.11Å; D65-S67 WeakPolarHBondContact OD1-CA 3.36Å; D65-S67 WeakPolarHBondContact OD1-CB 3.33Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 3.24Å; D65-S67 PolarHBondContact OD2-OG 3.43Å; S67-K139 VanDerWaalsContact O-CD 3.29Å; S67-K139 WeakPolarHBondContact O-CD 3.33Å; S67-K139 WeakPolarHBondContact O-CE 3.25Å; S67-K139 PolarHBondContact O-NZ 3.11Å
68N98.7Very high98.8Very high63 Ų6349.5 Ų49.534%0.33726%0.257SS..SBendtrans-95.9126.9178.6-172-30.6000111.9D65 V66 K70 D71 T72D65-N68 HydrophobicContact CB-CB 4.29Å; D65-N68 WeakPolarHBondContact O-CB 3.22Å; D65-N68 PolarHBondContact O-N 3.2Å; V66-N68 PolarHBondContact O-N 3Å; N68-K70 PolarHBondContact O-N 2.96Å; N68-K70 WeakPolarHBondContact OD1-CB 3.27Å; N68-K70 PolarHBondContact OD1-N 3.38Å; N68-D71 HydrophobicContact CB-CB 4.15Å; N68-D71 PolarHBondContact ND2-OD1 3.13Å; N68-T72 PolarHBondContact O-N 2.79Å
69T98.7Very high98.8Very high55 Ų5545.2 Ų45.234%0.33723%0.234SC..Hα-helixtrans-62.9-42.7179.2-67.30000112.1D71 T72 Y73 R142T69-D71 VanDerWaalsContact C-N 3.31Å; T69-D71 PolarHBondContact O-N 2.8Å; T69-T72 PolarHBondContact O-N 2.63Å; T69-T72 PolarHBondContact O-OG1 3.32Å; T69-Y73 HydrophobicContact CG2-CD2 3.94Å; T69-Y73 HydrophobicContact CG2-CE2 3.96Å; T69-Y73 WeakPolarHBondContact O-CD2 3.42Å; T69-Y73 PolarHBondContact O-N 2.73Å; T69-R142 PolarHBondContact OG1-NH2 3.46Å
70K98.8Very high98.8Very high168 Ų16846.7 Ų46.773%0.7324%0.242SC*.Hα-helixtrans-61.8-44.1-175.7-66.9-177.4178.7179.80110.7N68 T72 Y73 A74N68-K70 PolarHBondContact O-N 2.96Å; N68-K70 WeakPolarHBondContact OD1-CB 3.27Å; N68-K70 PolarHBondContact OD1-N 3.38Å; K70-T72 PolarHBondContact O-N 2.83Å; K70-Y73 PolarHBondContact O-N 2.67Å; K70-A74 WeakPolarHBondContact O-CB 3.37Å; K70-A74 PolarHBondContact O-N 3.34Å
71D98.8Very high98.8Very high42 Ų4249.3 Ų49.323%0.22527%0.269CS..Hα-helixtrans-60.9-44.3178.1-66.129.3000111.7T64 D65 N68 T69 Y73 A74 M75T64-D71 HydrophobicContact CG2-CB 4.05Å; D65-D71 PolarHBondContact N-OD2 3.35Å; D65-D71 WeakPolarHBondContact O-CB 3.37Å; N68-D71 HydrophobicContact CB-CB 4.15Å; N68-D71 PolarHBondContact ND2-OD1 3.13Å; T69-D71 VanDerWaalsContact C-N 3.31Å; T69-D71 PolarHBondContact O-N 2.8Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.29Å; D71-A74 PolarHBondContact O-N 3.01Å; D71-M75 PolarHBondContact O-N 3.36Å
72T98.9Very high98.8Very high0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-63.7-31.5178.656.70000113.8V66 N68 T69 K70 M75 K139 A143V66-T72 HydrophobicContact CB-CG2 4.45Å; N68-T72 PolarHBondContact O-N 2.79Å; T69-T72 PolarHBondContact O-N 2.63Å; T69-T72 PolarHBondContact O-OG1 3.32Å; K70-T72 PolarHBondContact O-N 2.83Å; T72-M75 HydrophobicContact CG2-CE 4.19Å; T72-M75 WeakPolarHBondContact O-CE 3.48Å; T72-M75 WeakPolarHBondContact O-CG 3.16Å; T72-K139 HydrophobicContact CG2-CB 3.83Å; T72-A143 VanDerWaalsContact O-CB 3.26Å; T72-A143 WeakPolarHBondContact O-CB 3.33Å
73Y98.8Very high98.8Very high83 Ų8354.2 Ų54.233%0.32529%0.29SS..Hα-helixtrans-77.7-40.4172.3-82.8-97.3000111.5T69 K70 D71 M75 V76 E77 A143T69-Y73 HydrophobicContact CG2-CD2 3.94Å; T69-Y73 HydrophobicContact CG2-CE2 3.96Å; T69-Y73 WeakPolarHBondContact O-CD2 3.42Å; T69-Y73 PolarHBondContact O-N 2.73Å; K70-Y73 PolarHBondContact O-N 2.67Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.29Å; Y73-M75 VanDerWaalsContact C-N 3.33Å; Y73-M75 PolarHBondContact O-N 3.1Å; Y73-V76 PolarHBondContact O-N 3.15Å; Y73-V76 VanDerWaalsContact O-N 3.12Å; Y73-E77 WeakPolarHBondContact O-CG 3.45Å; Y73-E77 PolarHBondContact O-N 3.3Å; Y73-A143 HydrophobicContact CD1-CB 4.35Å; Y73-A143 HydrophobicContact CD2-CB 4.01Å; Y73-A143 HydrophobicContact CE1-CB 4.46Å; Y73-A143 HydrophobicContact CE2-CB 4.13Å; Y73-A143 HydrophobicContact CG-CB 4.14Å
74A98.8Very high98.7Very high43 Ų4350.9 Ų50.936%0.35529%0.289SS..Hα-helixtrans-60.7-38.117900000112.7K70 D71 V76 E77 A78K70-A74 WeakPolarHBondContact O-CB 3.37Å; K70-A74 PolarHBondContact O-N 3.34Å; D71-A74 PolarHBondContact O-N 3.01Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 3.39Å; A74-E77 PolarHBondContact O-N 3.38Å; A74-A78 VanDerWaalsContact O-CB 3.3Å; A74-A78 WeakPolarHBondContact O-CB 3.17Å; A74-A78 PolarHBondContact O-N 3.03Å
75M98.7Very high98.7Very high0 Ų051.1 Ų51.10%029%0.291CS..Hα-helixtrans-64.7-35.4175.565.8173-171.600113L12 T14 A38 V62 T64 D71 T72 Y73 A79L12-M75 HydrophobicContact CD1-CB 4.16Å; L12-M75 HydrophobicContact CD1-CG 4.29Å; L12-M75 HydrophobicContact CD1-SD 4.14Å; L12-M75 HydrophobicContact CD2-CE 3.84Å; L12-M75 HydrophobicContact CD2-CG 4.02Å; L12-M75 HydrophobicContact CD2-SD 3.9Å; L12-M75 HydrophobicContact CG-SD 4.34Å; T14-M75 HydrophobicContact CG2-CE 3.83Å; T14-M75 HydrophobicContact CG2-SD 3.7Å; A38-M75 HydrophobicContact CB-CB 4.14Å; A38-M75 HydrophobicContact CB-SD 3.75Å; V62-M75 HydrophobicContact CG1-CB 4.23Å; T64-M75 HydrophobicContact CG2-CG 4.44Å; T64-M75 HydrophobicContact CG2-SD 3.79Å; D71-M75 PolarHBondContact O-N 3.36Å; T72-M75 HydrophobicContact CG2-CE 4.19Å; T72-M75 WeakPolarHBondContact O-CE 3.48Å; T72-M75 WeakPolarHBondContact O-CG 3.16Å; Y73-M75 VanDerWaalsContact C-N 3.33Å; Y73-M75 PolarHBondContact O-N 3.1Å; M75-A79 PolarHBondContact O-N 2.86Å; M75-A79 VanDerWaalsContact O-N 3.09Å
76V98.9Very high98.7Very high7 Ų748.7 Ų48.74%0.04228%0.278CS..Hα-helixtrans-71.4-45.7175.6172.90000110.1L12 Y73 A74 A78 A79 V80 L86 A143 E144 Y147L12-V76 HydrophobicContact CD2-CG2 3.92Å; Y73-V76 PolarHBondContact O-N 3.15Å; Y73-V76 VanDerWaalsContact O-N 3.12Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 3.39Å; V76-A78 VanDerWaalsContact C-N 3.31Å; V76-A78 PolarHBondContact O-N 2.74Å; V76-A79 WeakPolarHBondContact O-CB 3.31Å; V76-A79 PolarHBondContact O-N 2.91Å; V76-V80 HydrophobicContact CG1-CG2 4.47Å; V76-V80 VanDerWaalsContact O-CG2 3.25Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-V80 PolarHBondContact O-N 3.24Å; V76-L86 HydrophobicContact CG1-CD2 4.02Å; V76-L86 HydrophobicContact CG2-CD2 4.11Å; V76-A143 HydrophobicContact CG2-CB 3.93Å; V76-E144 HydrophobicContact CG2-CG 4.41Å; V76-Y147 HydrophobicContact CG1-CD2 4.47Å; V76-Y147 HydrophobicContact CG1-CG 3.94Å
77E98.8Very high98.7Very high127 Ų12749.1 Ų49.159%0.59328%0.28SS*.Hα-helixtrans-58.3-42.9175.9-71.7173.7-172.700111.8Y73 A74 V80 A81Y73-E77 WeakPolarHBondContact O-CG 3.45Å; Y73-E77 PolarHBondContact O-N 3.3Å; A74-E77 PolarHBondContact O-N 3.38Å; E77-V80 PolarHBondContact O-N 3.36Å; E77-A81 VanDerWaalsContact O-CB 3.27Å; E77-A81 WeakPolarHBondContact O-CB 3.39Å; E77-A81 PolarHBondContact O-N 3.09Å
78A98.8Very high98.8Very high29 Ų2947.5 Ų47.524%0.2427%0.268CS..Hα-helixtrans-63.5-41.417600000112.5I60 V62 A74 V76 V80 K82I60-A78 HydrophobicContact CD1-CB 4.38Å; V62-A78 HydrophobicContact CG2-CB 3.64Å; A74-A78 VanDerWaalsContact O-CB 3.3Å; A74-A78 WeakPolarHBondContact O-CB 3.17Å; A74-A78 PolarHBondContact O-N 3.03Å; V76-A78 VanDerWaalsContact C-N 3.31Å; V76-A78 PolarHBondContact O-N 2.74Å; A78-V80 VanDerWaalsContact C-N 3.33Å; A78-V80 PolarHBondContact O-N 3.36Å; A78-K82 VanDerWaalsContact O-CB 3.28Å; A78-K82 WeakPolarHBondContact O-CB 3.23Å; A78-K82 PolarHBondContact O-N 3.49Å
79A98.8Very high98.8Very high0 Ų044.5 Ų44.50%025%0.252CS..Hα-helixtrans-57.9-47.9175.100000111.5T10 V36 M75 V76 K82 F83T10-A79 HydrophobicContact CG2-CB 4.37Å; V36-A79 HydrophobicContact CB-CB 4.48Å; V36-A79 HydrophobicContact CG2-CB 3.64Å; M75-A79 PolarHBondContact O-N 2.86Å; M75-A79 VanDerWaalsContact O-N 3.09Å; V76-A79 WeakPolarHBondContact O-CB 3.31Å; V76-A79 PolarHBondContact O-N 2.91Å; A79-K82 PolarHBondContact O-N 2.74Å; A79-F83 PolarHBondContact O-N 3.12Å
80V98.7Very high98.8Very high36 Ų3641.9 Ų41.922%0.21824%0.236CC..Hα-helixtrans-70.1-43-177.6176.30000111.4V76 E77 A78 K82 G84 Y147V76-V80 HydrophobicContact CG1-CG2 4.47Å; V76-V80 VanDerWaalsContact O-CG2 3.25Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-V80 PolarHBondContact O-N 3.24Å; E77-V80 PolarHBondContact O-N 3.36Å; A78-V80 VanDerWaalsContact C-N 3.33Å; A78-V80 PolarHBondContact O-N 3.36Å; V80-K82 VanDerWaalsContact C-N 3.28Å; V80-K82 PolarHBondContact O-N 3.35Å; V80-G84 WeakPolarHBondContact O-CA 3.3Å; V80-G84 PolarHBondContact O-N 2.89Å; V80-Y147 HydrophobicContact CB-CE2 4.13Å; V80-Y147 HydrophobicContact CG1-CE2 3.71Å; V80-Y147 WeakPolarHBondContact CG1-OH 3.46Å; V80-Y147 HydrophobicContact CG2-CD1 4Å; V80-Y147 HydrophobicContact CG2-CD2 3.81Å; V80-Y147 HydrophobicContact CG2-CE1 3.52Å; V80-Y147 HydrophobicContact CG2-CE2 3.34Å; V80-Y147 HydrophobicContact CG2-CG 4.11Å; V80-Y147 WeakPolarHBondContact CG2-OH 3.46Å
81A98.7Very high98.8Very high91 Ų9134 Ų3475%0.75220%0.202SC*.Hα-helixtrans-62.8-36.4177.300000112E77E77-A81 VanDerWaalsContact O-CB 3.27Å; E77-A81 WeakPolarHBondContact O-CB 3.39Å; E77-A81 PolarHBondContact O-N 3.09Å
82K98.7Very high98.8Very high130 Ų13033 Ų3357%0.56520%0.199SC*.Hα-helixtrans-82.8-42.1-177.6-177.263.2179.2178.30113.6I60 A78 A79 V80I60-K82 HydrophobicContact CD1-CB 3.82Å; I60-K82 HydrophobicContact CD1-CG 4.03Å; I60-K82 HydrophobicContact CG1-CG 4.41Å; I60-K82 HydrophobicContact CG2-CD 3.99Å; I60-K82 HydrophobicContact CG2-CG 3.77Å; A78-K82 VanDerWaalsContact O-CB 3.28Å; A78-K82 WeakPolarHBondContact O-CB 3.23Å; A78-K82 PolarHBondContact O-N 3.49Å; A79-K82 PolarHBondContact O-N 2.74Å; V80-K82 VanDerWaalsContact C-N 3.28Å; V80-K82 PolarHBondContact O-N 3.35Å
83F98.6Very high98.7Very high39 Ų3934 Ų3417%0.17121%0.208CC..Hα-helixtrans-119.6-6.2-168.7-59-57.8000114.3T10 N34 V36 N58 I60 A79 S85T10-F83 HydrophobicContact CG2-CB 4.09Å; T10-F83 HydrophobicContact CG2-CD2 3.74Å; T10-F83 HydrophobicContact CG2-CG 4.29Å; T10-F83 VanDerWaalsContact OG1-CB 3.27Å; T10-F83 WeakPolarHBondContact OG1-CB 3.47Å; N34-F83 HydrophobicContact CB-CB 4.16Å; N34-F83 HydrophobicContact CB-CD1 3.55Å; N34-F83 HydrophobicContact CB-CD2 3.77Å; N34-F83 HydrophobicContact CB-CE1 3.76Å; N34-F83 HydrophobicContact CB-CE2 3.94Å; N34-F83 HydrophobicContact CB-CG 3.56Å; N34-F83 HydrophobicContact CB-CZ 3.94Å; V36-F83 HydrophobicContact CG2-CD2 3.97Å; V36-F83 HydrophobicContact CG2-CE2 3.77Å; N58-F83 HydrophobicContact CB-CE1 3.93Å; N58-F83 HydrophobicContact CB-CZ 4.31Å; I60-F83 HydrophobicContact CG1-CE2 4.03Å; I60-F83 HydrophobicContact CG1-CZ 4.46Å; I60-F83 HydrophobicContact CG2-CZ 4.45Å; A79-F83 PolarHBondContact O-N 3.12Å; F83-S85 VanDerWaalsContact C-N 3.25Å; F83-S85 PolarHBondContact O-N 3.47Å
84G98.4Very high98.6Very high55 Ų5531.4 Ų31.457%0.56721%0.206SC*.SBendtrans81-4.6176.100000115.1V80V80-G84 WeakPolarHBondContact O-CA 3.3Å; V80-G84 PolarHBondContact O-N 2.89Å
85S98.5Very high98.6Very high8 Ų829.7 Ų29.76%0.05619%0.191CC..  trans-153.7165.9-177.866.30000113.3T10 F83 D87 Q151 K153T10-S85 WeakPolarHBondContact CB-O 3.24Å; T10-S85 WeakPolarHBondContact CG2-O 3.26Å; T10-S85 PolarHBondContact OG1-O 3.13Å; T10-S85 PolarHBondContact OG1-OG 2.91Å; T10-S85 VanDerWaalsContact OG1-OG 3.13Å; F83-S85 VanDerWaalsContact C-N 3.25Å; F83-S85 PolarHBondContact O-N 3.47Å; S85-D87 WeakPolarHBondContact CB-OD2 3.41Å; S85-D87 PolarHBondContact OG-OD2 2.84Å; S85-Q151 VanDerWaalsContact CB-OE1 3.26Å; S85-K153 VanDerWaalsContact CB-NZ 3.31Å
86L98.9Very high98.4Very high0 Ų030 Ų300%019%0.192CC..  trans-133.4110.6161.1176.665.5000107.3L12 V76 M88 E144 Y147 M148 Q151L12-L86 HydrophobicContact CB-CD1 3.54Å; L12-L86 HydrophobicContact CD2-CD1 4.39Å; V76-L86 HydrophobicContact CG1-CD2 4.02Å; V76-L86 HydrophobicContact CG2-CD2 4.11Å; L86-M88 WeakPolarHBondContact CD1-O 3.22Å; L86-E144 HydrophobicContact CD2-CB 4.35Å; L86-E144 HydrophobicContact CD2-CG 4.28Å; L86-Y147 HydrophobicContact CB-CD1 3.66Å; L86-Y147 HydrophobicContact CB-CE1 3.77Å; L86-Y147 HydrophobicContact CD2-CD1 4.38Å; L86-M148 HydrophobicContact CD2-CE 4.29Å; L86-M148 HydrophobicContact CG-CE 3.94Å; L86-Q151 VanDerWaalsContact N-OE1 3.17Å; L86-Q151 PolarHBondContact O-NE2 3.38Å
87D98.9Very high98.3Very high19 Ų1929.8 Ų29.810%0.10219%0.191CC..  trans-106.5-33.2-172.9-58.2-86.4000111.3K9 T10 S85 K153 G155 S156K9-D87 WeakPolarHBondContact CA-OD2 3.1Å; K9-D87 HydrophobicContact CB-CB 3.9Å; K9-D87 HydrophobicContact CG-CB 4.25Å; T10-D87 PolarHBondContact N-OD2 3.33Å; T10-D87 PolarHBondContact O-N 2.8Å; S85-D87 WeakPolarHBondContact CB-OD2 3.41Å; S85-D87 PolarHBondContact OG-OD2 2.84Å; D87-K153 WeakPolarHBondContact OD1-CE 3.42Å; D87-K153 IonicContact OD1-NZ 3.81Å; D87-K153 PolarHBondContact OD1-NZ 3.36Å; D87-K153 IonicContact OD2-NZ 3.3Å; D87-G155 VanDerWaalsContact O-CA 3.31Å; D87-G155 WeakPolarHBondContact O-CA 3.35Å; D87-S156 PolarHBondContact O-N 2.84Å
88M98.9Very high98.3Very high3 Ų323.9 Ų23.92%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-138.2146.6-174-60.5179.6-71.700110.5F6 K9 T10 L11 L12 A33 L86 S156 L264F6-M88 HydrophobicContact CB-CE 3.95Å; F6-M88 HydrophobicContact CD1-CE 3.42Å; F6-M88 VanDerWaalsContact CD1-CE 3.42Å; F6-M88 HydrophobicContact CD1-SD 3.4Å; F6-M88 WeakPolarHBondContact CD1-SD 3.33Å; F6-M88 HydrophobicContact CE1-CE 4.1Å; F6-M88 HydrophobicContact CE1-SD 3.5Å; F6-M88 WeakPolarHBondContact CE1-SD 3.22Å; F6-M88 HydrophobicContact CG-CE 3.84Å; F6-M88 HydrophobicContact CG-SD 4.34Å; K9-M88 HydrophobicContact CB-CE 3.72Å; K9-M88 HydrophobicContact CD-CE 4.47Å; T10-M88 PolarHBondContact O-N 2.96Å; L11-M88 WeakPolarHBondContact CA-O 3.24Å; L11-M88 HydrophobicContact CB-CB 4.25Å; L11-M88 HydrophobicContact CB-CE 4Å; L11-M88 HydrophobicContact CD1-CB 3.62Å; L12-M88 PolarHBondContact N-O 2.92Å; A33-M88 HydrophobicContact CB-CE 4.36Å; L86-M88 WeakPolarHBondContact CD1-O 3.22Å; M88-S156 CarbonylContact C-O 3.29Å; M88-S156 WeakPolarHBondContact CA-O 3.29Å; M88-L264 HydrophobicContact CB-CD2 4.15Å; M88-L264 HydrophobicContact SD-CB 3.9Å
89A99Very high98.2Very high0 Ų022.6 Ų22.60%015%0.154CC..EExtended strand (participates in β ladder)trans-135.7138.8169.800000111.7L12 E144 M148 S156 I157 V158L12-A89 CarbonylContact O-C 3.52Å; L12-A89 WeakPolarHBondContact O-CA 3.46Å; A89-E144 VanDerWaalsContact CB-CD 3.41Å; A89-E144 HydrophobicContact CB-CG 3.96Å; A89-E144 WeakPolarHBondContact CB-OE1 3.49Å; A89-M148 HydrophobicContact CB-CE 4.42Å; A89-S156 PolarHBondContact N-O 3.45Å; A89-I157 HydrophobicContact CB-CG1 4.14Å; A89-I157 HydrophobicContact CB-CG2 4.26Å; A89-I157 WeakPolarHBondContact O-CA 3.37Å; A89-V158 PolarHBondContact O-N 3.03Å
90L98.9Very high98.1Very high0 Ų027.2 Ų27.20%017%0.172CC..EExtended strand (participates in β ladder)trans-113.5110.8167.8176.360000109.2L11 L12 V13 T14 T24 A92 V158 I160 I260L11-L90 HydrophobicContact CD1-CB 4.3Å; L12-L90 PolarHBondContact O-N 3.47Å; V13-L90 WeakPolarHBondContact CA-O 3.37Å; V13-L90 HydrophobicContact CG1-CB 4.25Å; V13-L90 HydrophobicContact CG1-CD2 3.94Å; V13-L90 HydrophobicContact CG1-CG 4.29Å; V13-L90 HydrophobicContact CG2-CB 4.28Å; T14-L90 PolarHBondContact N-O 2.9Å; T24-L90 HydrophobicContact CG2-CD2 3.75Å; L90-A92 HydrophobicContact CD1-CB 4.39Å; L90-A92 HydrophobicContact CD2-CB 4.12Å; L90-A92 HydrophobicContact CG-CB 3.92Å; L90-A92 PolarHBondContact O-N 3.42Å; L90-V158 CarbonylContact C-O 3.59Å; L90-V158 VanDerWaalsContact CA-O 3.32Å; L90-V158 WeakPolarHBondContact CA-O 3.31Å; L90-V158 HydrophobicContact CD1-CB 4.26Å; L90-V158 HydrophobicContact CD1-CG1 4.09Å; L90-V158 WeakPolarHBondContact CD1-O 3.32Å; L90-I160 HydrophobicContact CD1-CD1 3.79Å; L90-I160 HydrophobicContact CD1-CG1 4.03Å; L90-I260 HydrophobicContact CD1-CD1 4.46Å; L90-I260 HydrophobicContact CD1-CG2 3.72Å; L90-I260 HydrophobicContact CD2-CG2 4.13Å; L90-I260 HydrophobicContact CG-CG2 4.44Å
91N98.9Very high98Very high3 Ų326.2 Ų26.22%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-87.987.4171.8-73.7-47.8000110.2T14 S140 E144 V158 T159 I160T14-N91 WeakPolarHBondContact OG1-CA 3.15Å; T14-N91 PolarHBondContact OG1-OD1 3.2Å; N91-S140 WeakPolarHBondContact OD1-CB 3.3Å; N91-E144 PolarHBondContact ND2-OE1 2.91Å; N91-E144 PolarHBondContact ND2-OE2 2.88Å; N91-E144 PolarHBondContact OD1-OE1 3.35Å; N91-E144 VanDerWaalsContact OD1-OE1 3.05Å; N91-V158 PolarHBondContact N-O 3.1Å; N91-T159 HydrophobicContact CB-CG2 3.92Å; N91-I160 PolarHBondContact O-N 3.32Å
92A98.4Very high97.9Very high20 Ų2023.9 Ų23.917%0.16515%0.151CC..  trans-110.8-6.3-178.700000114.4T14 L90 G94 I160T14-A92 CarbonylContact O-C 3.41Å; T14-A92 WeakPolarHBondContact O-CA 3.42Å; T14-A92 VanDerWaalsContact O-CB 3.27Å; T14-A92 WeakPolarHBondContact O-CB 3.41Å; T14-A92 PolarHBondContact O-N 3.49Å; T14-A92 VanDerWaalsContact O-N 3.13Å; T14-A92 PolarHBondContact OG1-N 3.05Å; L90-A92 HydrophobicContact CD1-CB 4.39Å; L90-A92 HydrophobicContact CD2-CB 4.12Å; L90-A92 HydrophobicContact CG-CB 3.92Å; L90-A92 PolarHBondContact O-N 3.42Å; A92-G94 PolarHBondContact O-N 2.98Å; A92-I160 HydrophobicContact CB-CB 4.44Å; A92-I160 HydrophobicContact CB-CG1 3.52Å
93A97.9Very high97.8Very high22 Ų2221.6 Ų21.618%0.18215%0.145CC..  trans-6012917300000110.7T14 V66T14-A93 PolarHBondContact O-N 3Å; T14-A93 VanDerWaalsContact O-N 3.14Å; T14-A93 PolarHBondContact OG1-N 2.82Å; V66-A93 HydrophobicContact CG1-CB 3.89Å; V66-A93 HydrophobicContact CG2-CB 3.88Å
94G97.1Very high97.7Very high27 Ų2722.4 Ų22.428%0.27816%0.164SC..  trans-177.8155.7175.800000112.9A92 N133A92-G94 PolarHBondContact O-N 2.98Å; G94-N133 WeakPolarHBondContact CA-OD1 3.32Å
95V97.6Very high97.6Very high8 Ų820.5 Ų20.55%0.04814%0.141CC..  trans-133.4153.1-174.8-64.50000110.6D97 V129 I132 N133 Y175V95-D97 WeakPolarHBondContact CB-O 3.49Å; V95-D97 WeakPolarHBondContact CG2-O 3.46Å; V95-V129 HydrophobicContact CG2-CG2 4.34Å; V95-I132 HydrophobicContact CG1-CD1 4.37Å; V95-I132 HydrophobicContact CG1-CG2 4.26Å; V95-I132 HydrophobicContact CG2-CB 4.03Å; V95-I132 HydrophobicContact CG2-CD1 3.84Å; V95-I132 HydrophobicContact CG2-CG2 3.94Å; V95-N133 PolarHBondContact N-OD1 2.9Å; V95-N133 PolarHBondContact O-ND2 3.17Å; V95-N133 PolarHBondContact O-OD1 3.41Å; V95-Y175 WeakPolarHBondContact O-CD2 3.43Å; V95-Y175 WeakPolarHBondContact O-CE2 3.43Å
96I95.6Very high97.6Very high6 Ų623.8 Ų23.83%0.03116%0.158CC..SBendtrans-92-22.2174.2-165.661.8000112.1F115 I172 Y175 L212 F216I96-F115 HydrophobicContact CG1-CD1 3.99Å; I96-F115 HydrophobicContact CG1-CE1 4.01Å; I96-F115 HydrophobicContact CG2-CD1 4.39Å; I96-F115 HydrophobicContact CG2-CE1 4.17Å; I96-I172 HydrophobicContact CD1-CB 4.27Å; I96-I172 HydrophobicContact CD1-CD1 3.93Å; I96-I172 HydrophobicContact CD1-CG2 3.95Å; I96-I172 HydrophobicContact CG1-CG2 4.25Å; I96-Y175 HydrophobicContact CD1-CD1 3.75Å; I96-Y175 HydrophobicContact CD1-CD2 3.54Å; I96-Y175 HydrophobicContact CD1-CE1 4.15Å; I96-Y175 HydrophobicContact CD1-CE2 3.94Å; I96-Y175 HydrophobicContact CD1-CG 3.41Å; I96-Y175 VanDerWaalsContact CD1-CG 3.41Å; I96-L212 HydrophobicContact CB-CD2 4.33Å; I96-L212 HydrophobicContact CB-CG 4.27Å; I96-F216 HydrophobicContact CD1-CD2 4.34Å; I96-F216 HydrophobicContact CG1-CB 4.37Å; I96-F216 HydrophobicContact CG1-CD2 3.9Å; I96-F216 HydrophobicContact CG1-CG 4.5Å
97D97.1Very high97.4Very high2 Ų224 Ų241%0.01116%0.16CC..SBendtrans-139.9174.7-177.359.736.6000111.4V95 V99 L113 L114 F115 V129 R215 I219V95-D97 WeakPolarHBondContact CB-O 3.49Å; V95-D97 WeakPolarHBondContact CG2-O 3.46Å; D97-V99 VanDerWaalsContact C-N 3.31Å; D97-V99 PolarHBondContact OD1-N 3.18Å; D97-L113 WeakPolarHBondContact CB-O 3.38Å; D97-L114 HydrophobicContact CB-CD2 4.26Å; D97-F115 HydrophobicContact CB-CD1 4.2Å; D97-V129 VanDerWaalsContact C-CG2 3.45Å; D97-R215 IonicContact OD1-CZ 3.69Å; D97-R215 IonicContact OD1-NE 3.96Å; D97-R215 PolarHBondContact OD1-NE 2.96Å; D97-R215 IonicContact OD1-NH2 3.6Å; D97-R215 IonicContact OD2-CZ 3.61Å; D97-R215 VanDerWaalsContact OD2-CZ 3.26Å; D97-R215 IonicContact OD2-NE 3.9Å; D97-R215 PolarHBondContact OD2-NE 2.83Å; D97-R215 IonicContact OD2-NH2 2.65Å; D97-R215 PolarHBondContact OD2-NH2 3.01Å; D97-I219 VanDerWaalsContact OD2-CD1 3.29Å; D97-I219 WeakPolarHBondContact OD2-CD1 3.3Å
98G97.4Very high97.3Very high3 Ų328.4 Ų28.43%0.03118%0.183CC..SBendtrans-9015.4-17700000114.6L113 R128G98-L113 PolarHBondContact N-O 2.92Å; G98-R128 WeakPolarHBondContact O-CD 3.22Å; G98-R128 PolarHBondContact O-NH1 3.25Å
99V97.8Very high97.2Very high3 Ų332.1 Ų32.12%0.01821%0.214CC..SBendtrans-89.8149.3-175.6-177.50000110.3D97 S101 D103 Q110 L113 L114 R215D97-V99 VanDerWaalsContact C-N 3.31Å; D97-V99 PolarHBondContact OD1-N 3.18Å; V99-S101 PolarHBondContact O-N 2.92Å; V99-D103 HydrophobicContact CG1-CB 4.04Å; V99-Q110 HydrophobicContact CG1-CG 4.23Å; V99-Q110 HydrophobicContact CG2-CB 3.86Å; V99-Q110 HydrophobicContact CG2-CG 4.17Å; V99-L113 HydrophobicContact CG2-CB 3.67Å; V99-L113 HydrophobicContact CG2-CD1 4.3Å; V99-L114 HydrophobicContact CG2-CD2 3.96Å; V99-R215 VanDerWaalsContact CB-NH2 3.34Å
100Y97.2Very high97.2Very high97 Ų9733.1 Ų33.138%0.3822%0.219SC..  trans-57.8128.7170.5177.1-113.6000110.1W40 L41 G102 D103W40-Y100 AromaticContact CD2-CD2 3.84Å; W40-Y100 HydrophobicContact CD2-CD2 3.84Å; W40-Y100 AromaticContact CD2-CE2 3.55Å; W40-Y100 HydrophobicContact CD2-CE2 3.55Å; W40-Y100 AromaticContact CE2-CD2 3.81Å; W40-Y100 AromaticContact CE2-CE2 3.76Å; W40-Y100 AromaticContact CE3-CD2 3.61Å; W40-Y100 HydrophobicContact CE3-CD2 3.61Å; W40-Y100 AromaticContact CE3-CE2 3.63Å; W40-Y100 HydrophobicContact CE3-CE2 3.63Å; W40-Y100 HydrophobicContact CG-CE2 4.16Å; W40-Y100 AromaticContact CH2-CD2 3.44Å; W40-Y100 HydrophobicContact CH2-CD2 3.44Å; W40-Y100 VanDerWaalsContact CH2-CD2 3.44Å; W40-Y100 HydrophobicContact CH2-CE2 4.19Å; W40-Y100 HydrophobicContact CH2-CG 4.28Å; W40-Y100 AromaticContact CZ2-CD2 3.65Å; W40-Y100 HydrophobicContact CZ2-CD2 3.65Å; W40-Y100 HydrophobicContact CZ2-CE2 4.1Å; W40-Y100 HydrophobicContact CZ2-CG 4.47Å; W40-Y100 AromaticContact CZ3-CD2 3.42Å; W40-Y100 HydrophobicContact CZ3-CD2 3.42Å; W40-Y100 VanDerWaalsContact CZ3-CD2 3.42Å; W40-Y100 AromaticContact CZ3-CE2 3.96Å; W40-Y100 HydrophobicContact CZ3-CE2 3.96Å; L41-Y100 HydrophobicContact CD2-CE1 4.42Å; L41-Y100 HydrophobicContact CD2-CE2 4.29Å; Y100-G102 PolarHBondContact O-N 3.23Å; Y100-G102 VanDerWaalsContact O-N 3.14Å; Y100-D103 WeakPolarHBondContact O-CB 3.47Å; Y100-D103 PolarHBondContact O-N 2.79Å
101S96.4Very high97.1Very high14 Ų1435.8 Ų35.810%0.09823%0.233CC..THydrogen-bonded Turntrans-70.7-13.3-169.1-85.90000114.7R18 W40 V99R18-S101 PolarHBondContact NH1-O 2.95Å; R18-S101 PolarHBondContact NH2-O 2.94Å; R18-S101 PolarHBondContact NH2-OG 3.14Å; W40-S101 VanDerWaalsContact CZ2-CB 3.45Å; V99-S101 PolarHBondContact O-N 2.92Å
102G95.6Very high97Very high42 Ų4240.4 Ų40.443%0.43326%0.255SS..THydrogen-bonded Turntrans-85.4-11.9172.300000113.2Y100Y100-G102 PolarHBondContact O-N 3.23Å; Y100-G102 VanDerWaalsContact O-N 3.14Å
103D97Very high97Very high82 Ų8240.8 Ų40.844%0.43925%0.254SS..SBendtrans-82.9145.4178-65.8-17.1000111.3V99 Y100 R215V99-D103 HydrophobicContact CG1-CB 4.04Å; Y100-D103 WeakPolarHBondContact O-CB 3.47Å; Y100-D103 PolarHBondContact O-N 2.79Å; D103-R215 PolarHBondContact O-NH1 3.43Å
104G95.7Very high96.9Very high56 Ų5639.8 Ų39.858%0.57725%0.245SC*.  trans-66.2-179.3167.900000112.6Q110 R215G104-Q110 PolarHBondContact O-NE2 3.34Å; G104-Q110 PolarHBondContact O-OE1 2.87Å; G104-R215 PolarHBondContact O-NH1 2.96Å
105V97Very high96.8Very high15 Ų1538.5 Ų38.59%0.09123%0.232CC..  trans-90.4112.1175.2177.80000110L107 R215 E218 I219 K222V105-L107 HydrophobicContact CG1-CD2 3.94Å; V105-R215 HydrophobicContact CG2-CG 4.1Å; V105-E218 HydrophobicContact CB-CG 4.27Å; V105-E218 WeakPolarHBondContact CB-OE1 3.49Å; V105-E218 HydrophobicContact CG2-CB 4.35Å; V105-E218 HydrophobicContact CG2-CG 4.11Å; V105-I219 HydrophobicContact CB-CG1 4.41Å; V105-I219 HydrophobicContact CG1-CG1 3.59Å; V105-I219 HydrophobicContact CG2-CD1 4.33Å; V105-I219 HydrophobicContact CG2-CG1 3.86Å; V105-K222 HydrophobicContact CG1-CD 3.9Å; V105-K222 PolarHBondContact O-NZ 3.35Å
106D97.4Very high96.6Very high77 Ų7740 Ų4041%0.41224%0.237SC..  trans-120105.5168.7-174.7-31.4000108.2D108 A109 Q110D106-D108 VanDerWaalsContact C-N 3.3Å; D106-D108 PolarHBondContact O-N 3.05Å; D106-D108 PolarHBondContact OD1-N 3.07Å; D106-D108 VanDerWaalsContact OD1-N 3.12Å; D106-A109 HydrophobicContact CB-CB 4.12Å; D106-A109 VanDerWaalsContact CG-CB 3.43Å; D106-A109 PolarHBondContact OD1-N 3.31Å; D106-A109 WeakPolarHBondContact OD2-CB 3.38Å; D106-Q110 HydrophobicContact CB-CG 4.27Å; D106-Q110 WeakPolarHBondContact O-CB 3.3Å; D106-Q110 VanDerWaalsContact O-CG 3.28Å; D106-Q110 WeakPolarHBondContact O-CG 3.42Å; D106-Q110 PolarHBondContact O-N 2.96Å; D106-Q110 VanDerWaalsContact O-N 3.12Å
107L96.2Very high96.5Very high6 Ų642.9 Ų42.93%0.03125%0.249CC..THydrogen-bonded Turntrans-64.6-35.3-173.7-68.8-170000112.7V105 D111 L114 I219 K222 R223V105-L107 HydrophobicContact CG1-CD2 3.94Å; L107-D111 WeakPolarHBondContact O-CA 3.49Å; L107-D111 WeakPolarHBondContact O-CB 3.39Å; L107-D111 PolarHBondContact O-N 3.45Å; L107-L114 HydrophobicContact CD2-CD1 3.7Å; L107-I219 HydrophobicContact CD2-CG2 4.24Å; L107-K222 HydrophobicContact CD1-CB 3.54Å; L107-K222 HydrophobicContact CD2-CB 4.42Å; L107-K222 HydrophobicContact CG-CB 4.11Å; L107-K222 HydrophobicContact CG-CD 4.36Å; L107-R223 HydrophobicContact CD1-CG 3.81Å; L107-R223 HydrophobicContact CD2-CG 4.22Å
108D96.5Very high96.3Very high110 Ų11049.4 Ų49.459%0.58828%0.283SS*.THydrogen-bonded Turntrans-84.2-44.8-172.5-59-46.8000110.4D106 Q110 R226D106-D108 VanDerWaalsContact C-N 3.3Å; D106-D108 PolarHBondContact O-N 3.05Å; D106-D108 PolarHBondContact OD1-N 3.07Å; D106-D108 VanDerWaalsContact OD1-N 3.12Å; D108-Q110 VanDerWaalsContact C-N 3.3Å; D108-Q110 PolarHBondContact O-N 3.32Å; D108-R226 IonicContact OD1-CZ 3.43Å; D108-R226 IonicContact OD1-NH1 3.92Å; D108-R226 PolarHBondContact OD1-NH1 3.42Å; D108-R226 IonicContact OD1-NH2 3.56Å; D108-R226 IonicContact OD2-CZ 2.57Å; D108-R226 IonicContact OD2-NH1 3.04Å; D108-R226 PolarHBondContact OD2-NH1 3.42Å; D108-R226 IonicContact OD2-NH2 2.8Å; D108-R226 PolarHBondContact OD2-NH2 3.38Å
109A97.6Very high96.2Very high81 Ų8156.5 Ų56.567%0.66932%0.315SS*.THydrogen-bonded Turntrans-72.3-24.3179.600000113.3D106D106-A109 HydrophobicContact CB-CB 4.12Å; D106-A109 VanDerWaalsContact CG-CB 3.43Å; D106-A109 PolarHBondContact OD1-N 3.31Å; D106-A109 WeakPolarHBondContact OD2-CB 3.38Å
110Q97.9Very high96.1Very high21 Ų2160.4 Ų60.410%0.09833%0.333CS..THydrogen-bonded Turntrans-109.96-174.5-54.7170.1-10.800113.3V99 G104 D106 D108 E112 L113 L114V99-Q110 HydrophobicContact CG1-CG 4.23Å; V99-Q110 HydrophobicContact CG2-CB 3.86Å; V99-Q110 HydrophobicContact CG2-CG 4.17Å; G104-Q110 PolarHBondContact O-NE2 3.34Å; G104-Q110 PolarHBondContact O-OE1 2.87Å; D106-Q110 HydrophobicContact CB-CG 4.27Å; D106-Q110 WeakPolarHBondContact O-CB 3.3Å; D106-Q110 VanDerWaalsContact O-CG 3.28Å; D106-Q110 WeakPolarHBondContact O-CG 3.42Å; D106-Q110 PolarHBondContact O-N 2.96Å; D106-Q110 VanDerWaalsContact O-N 3.12Å; D108-Q110 VanDerWaalsContact C-N 3.3Å; D108-Q110 PolarHBondContact O-N 3.32Å; Q110-E112 VanDerWaalsContact C-N 3.3Å; Q110-E112 PolarHBondContact O-N 3.24Å; Q110-E112 VanDerWaalsContact O-N 3.12Å; Q110-L113 WeakPolarHBondContact O-CA 3.27Å; Q110-L113 WeakPolarHBondContact O-CB 3.26Å; Q110-L113 PolarHBondContact O-N 3.43Å; Q110-L114 HydrophobicContact CB-CD1 4.22Å; Q110-L114 HydrophobicContact CB-CD2 4.45Å; Q110-L114 HydrophobicContact CB-CG 4.13Å; Q110-L114 WeakPolarHBondContact O-CG 3.34Å; Q110-L114 PolarHBondContact O-N 3.35Å
111D95.9Very high96Very high56 Ų5657.2 Ų57.230%0.29933%0.327SS..G310 helixtrans-52.7-44.2-165.4-168.948.9000114L107 L113 L114 R116 R223L107-D111 WeakPolarHBondContact O-CA 3.49Å; L107-D111 WeakPolarHBondContact O-CB 3.39Å; L107-D111 PolarHBondContact O-N 3.45Å; D111-L113 PolarHBondContact O-N 3.13Å; D111-L114 PolarHBondContact O-N 3.22Å; D111-L114 VanDerWaalsContact O-N 3.14Å; D111-R116 IonicContact OD1-CZ 3.74Å; D111-R116 IonicContact OD1-NE 2.74Å; D111-R116 PolarHBondContact OD1-NE 2.95Å; D111-R116 IonicContact OD1-NH2 3.65Å; D111-R116 PolarHBondContact OD1-NH2 2.91Å; D111-R116 IonicContact OD2-NE 3.4Å; D111-R116 IonicContact OD2-NH2 2.91Å; D111-R223 IonicContact OD1-NH2 3.12Å; D111-R223 PolarHBondContact OD1-NH2 2.88Å
112E97.4Very high96.1Very high100 Ų10058.5 Ų58.547%0.46733%0.334SS..G310 helixtrans-64.6-8.9178.5-63.9-174.6129.200114.2Q110 T122 K124 Y125Q110-E112 VanDerWaalsContact C-N 3.3Å; Q110-E112 PolarHBondContact O-N 3.24Å; Q110-E112 VanDerWaalsContact O-N 3.12Å; E112-T122 HydrophobicContact CB-CG2 4.33Å; E112-T122 PolarHBondContact O-OG1 3.09Å; E112-K124 HydrophobicContact CB-CD 4.18Å; E112-K124 IonicContact OE1-NZ 3.31Å; E112-K124 PolarHBondContact OE1-NZ 2.97Å; E112-K124 WeakPolarHBondContact OE2-CD 3.09Å; E112-K124 IonicContact OE2-NZ 2.72Å; E112-K124 PolarHBondContact OE2-NZ 2.59Å; E112-Y125 PolarHBondContact O-N 2.77Å
113L98.1Very high96.2Very high28 Ų2862.8 Ų62.815%0.14735%0.347CS..G310 helixtrans-112.7-8-179-62.5174.1000112.3D97 G98 V99 Q110 D111 K124 Y125D97-L113 WeakPolarHBondContact CB-O 3.38Å; G98-L113 PolarHBondContact N-O 2.92Å; V99-L113 HydrophobicContact CG2-CB 3.67Å; V99-L113 HydrophobicContact CG2-CD1 4.3Å; Q110-L113 WeakPolarHBondContact O-CA 3.27Å; Q110-L113 WeakPolarHBondContact O-CB 3.26Å; Q110-L113 PolarHBondContact O-N 3.43Å; D111-L113 PolarHBondContact O-N 3.13Å; L113-K124 HydrophobicContact CD2-CB 4.09Å; L113-Y125 WeakPolarHBondContact O-CD2 3.08Å
114L97.2Very high96.3Very high1 Ų163.9 Ų63.91%0.00535%0.348CS..SBendtrans-90.7148.3-177.8-64.2175.6000111.1D97 V99 L107 Q110 D111 I219D97-L114 HydrophobicContact CB-CD2 4.26Å; V99-L114 HydrophobicContact CG2-CD2 3.96Å; L107-L114 HydrophobicContact CD2-CD1 3.7Å; Q110-L114 HydrophobicContact CB-CD1 4.22Å; Q110-L114 HydrophobicContact CB-CD2 4.45Å; Q110-L114 HydrophobicContact CB-CG 4.13Å; Q110-L114 WeakPolarHBondContact O-CG 3.34Å; Q110-L114 PolarHBondContact O-N 3.35Å; D111-L114 PolarHBondContact O-N 3.22Å; D111-L114 VanDerWaalsContact O-N 3.14Å; L114-I219 HydrophobicContact CD2-CD1 3.73Å; L114-I219 HydrophobicContact CD2-CG1 4.27Å
115F95Very high96.4Very high1 Ų161.2 Ų61.20%0.00432%0.321CS..  trans-68.3133.8-17755.3-104.7000112I96 D97 Y125 A171 I172 F216 I219 I220 R223I96-F115 HydrophobicContact CG1-CD1 3.99Å; I96-F115 HydrophobicContact CG1-CE1 4.01Å; I96-F115 HydrophobicContact CG2-CD1 4.39Å; I96-F115 HydrophobicContact CG2-CE1 4.17Å; D97-F115 HydrophobicContact CB-CD1 4.2Å; F115-Y125 HydrophobicContact CB-CD2 4.44Å; F115-Y125 HydrophobicContact CB-CE1 4.26Å; F115-Y125 HydrophobicContact CB-CE2 3.56Å; F115-Y125 VanDerWaalsContact CB-CZ 3.46Å; F115-Y125 WeakPolarHBondContact CB-OH 3.12Å; F115-A171 CarbonylContact C-O 3.56Å; F115-A171 VanDerWaalsContact CB-O 3.25Å; F115-A171 WeakPolarHBondContact CB-O 3.4Å; F115-A171 VanDerWaalsContact CD2-O 3.3Å; F115-A171 WeakPolarHBondContact CD2-O 3.49Å; F115-I172 HydrophobicContact CB-CG2 3.86Å; F115-I172 HydrophobicContact CD1-CG2 4.1Å; F115-I172 HydrophobicContact CD2-CG2 3.64Å; F115-I172 HydrophobicContact CE2-CG2 4.21Å; F115-I172 HydrophobicContact CG-CG2 3.59Å; F115-F216 AromaticContact CE1-CD2 3.84Å; F115-F216 HydrophobicContact CE1-CD2 3.84Å; F115-F216 HydrophobicContact CE1-CE2 4.5Å; F115-F216 HydrophobicContact CE2-CD2 4.09Å; F115-F216 AromaticContact CE2-CE2 4Å; F115-F216 HydrophobicContact CE2-CE2 4Å; F115-F216 AromaticContact CZ-CD2 3.49Å; F115-F216 HydrophobicContact CZ-CD2 3.49Å; F115-F216 VanDerWaalsContact CZ-CD2 3.49Å; F115-F216 AromaticContact CZ-CE2 3.88Å; F115-F216 HydrophobicContact CZ-CE2 3.88Å; F115-I219 HydrophobicContact CD1-CD1 4.44Å; F115-I219 HydrophobicContact CE1-CB 4.08Å; F115-I219 HydrophobicContact CE1-CD1 3.56Å; F115-I219 HydrophobicContact CE1-CG1 4.43Å; F115-I219 HydrophobicContact CE1-CG2 3.92Å; F115-I219 HydrophobicContact CE2-CB 4.45Å; F115-I219 HydrophobicContact CE2-CG2 3.78Å; F115-I219 HydrophobicContact CZ-CB 3.62Å; F115-I219 HydrophobicContact CZ-CD1 4.04Å; F115-I219 HydrophobicContact CZ-CG1 4.45Å; F115-I219 HydrophobicContact CZ-CG2 3.38Å; F115-I220 HydrophobicContact CE2-CD1 3.65Å; F115-I220 HydrophobicContact CE2-CG1 4.05Å; F115-I220 HydrophobicContact CZ-CD1 4.31Å; F115-I220 HydrophobicContact CZ-CG1 4.21Å; F115-R223 PolarHBondContact O-NH1 3.48Å
116R92.8Very high96.5Very high38 Ų3864.6 Ų64.614%0.14333%0.334CS..  trans-133.6176.2174.5-72.1-170.5177.4-82.31.4110.4D111 E120 A121 A171 P173 R223 E228D111-R116 IonicContact OD1-CZ 3.74Å; D111-R116 IonicContact OD1-NE 2.74Å; D111-R116 PolarHBondContact OD1-NE 2.95Å; D111-R116 IonicContact OD1-NH2 3.65Å; D111-R116 PolarHBondContact OD1-NH2 2.91Å; D111-R116 IonicContact OD2-NE 3.4Å; D111-R116 IonicContact OD2-NH2 2.91Å; R116-E120 HydrophobicContact CB-CB 3.84Å; R116-E120 VanDerWaalsContact CD-O 3.31Å; R116-E120 WeakPolarHBondContact CD-O 3.26Å; R116-E120 HydrophobicContact CG-CB 4.47Å; R116-A121 HydrophobicContact CB-CB 4.41Å; R116-A171 CarbonylContact C-O 3.59Å; R116-A171 PolarHBondContact N-O 2.7Å; R116-A171 CarbonylContact O-C 3.53Å; R116-A171 VanDerWaalsContact O-O 3.13Å; R116-P173 WeakPolarHBondContact O-CD 3.2Å; R116-R223 VanDerWaalsContact CG-NH1 3.35Å; R116-R223 VanDerWaalsContact CZ-CZ 3.41Å; R116-R223 VanDerWaalsContact NE-NH2 3.19Å; R116-E228 IonicContact CZ-OE2 3.49Å; R116-E228 IonicContact NH1-OE2 2.6Å; R116-E228 IonicContact NH2-OE2 2.73Å; R116-E228 PolarHBondContact NH2-OE2 2.89Å
117K92.4Very high96.5Very high68 Ų6865.6 Ų65.630%0.29634%0.339SS..  trans-57.7154.1167.1-67.2175.4179.8173.10109H119 E120 A121 D230K117-H119 VanDerWaalsContact C-N 3.32Å; K117-H119 PolarHBondContact O-N 3.33Å; K117-H119 VanDerWaalsContact O-N 3.16Å; K117-E120 CarbonylContact O-C 3.53Å; K117-E120 PolarHBondContact O-N 3.34Å; K117-A121 PolarHBondContact O-N 3.33Å; K117-D230 WeakPolarHBondContact CE-OD2 3.32Å; K117-D230 IonicContact NZ-OD2 3.33Å; K117-D230 PolarHBondContact NZ-OD2 3.4Å
118I94.7Very high96.7Very high138 Ų13871.3 Ų71.371%0.70836%0.36SS*.G310 helixtrans-50.9-46.9-171-72.6174.2000113.3E120 A121 P173I118-E120 PolarHBondContact O-N 2.86Å; I118-A121 PolarHBondContact O-N 3.29Å; I118-P173 HydrophobicContact CD1-CB 4.14Å; I118-P173 HydrophobicContact CG1-CB 3.5Å; I118-P173 VanDerWaalsContact CG1-CB 3.5Å; I118-P173 HydrophobicContact CG1-CG 3.86Å
119H94.8Very high96.8Very high152 Ų15266 Ų6670%0.70433%0.332SS*.G310 helixtrans-73.3-9-178.572-64.7000115.1K117K117-H119 VanDerWaalsContact C-N 3.32Å; K117-H119 PolarHBondContact O-N 3.33Å; K117-H119 VanDerWaalsContact O-N 3.16Å
120E94.7Very high96.8Very high85 Ų8564.5 Ų64.540%0.39731%0.312SS..G310 helixtrans-113.4-9.1179.1-61.6170.2155.200111.8R116 K117 I118R116-E120 HydrophobicContact CB-CB 3.84Å; R116-E120 VanDerWaalsContact CD-O 3.31Å; R116-E120 WeakPolarHBondContact CD-O 3.26Å; R116-E120 HydrophobicContact CG-CB 4.47Å; K117-E120 CarbonylContact O-C 3.53Å; K117-E120 PolarHBondContact O-N 3.34Å; I118-E120 PolarHBondContact O-N 2.86Å
121A96.1Very high96.9Very high31 Ų3165.3 Ų65.326%0.25632%0.322SS..  trans-75.2153.6178.300000110.3R116 K117 I118 Y125 P173R116-A121 HydrophobicContact CB-CB 4.41Å; K117-A121 PolarHBondContact O-N 3.33Å; I118-A121 PolarHBondContact O-N 3.29Å; A121-Y125 HydrophobicContact CB-CD1 4.04Å; A121-Y125 HydrophobicContact CB-CE1 4.33Å; A121-P173 HydrophobicContact CB-CG 4.4Å
122T97.9Very high97Very high41 Ų4163.7 Ų63.725%0.25231%0.313SS..  trans-102.3157.5179.168.80000111.2E112 K124 Y125 F126E112-T122 HydrophobicContact CB-CG2 4.33Å; E112-T122 PolarHBondContact O-OG1 3.09Å; T122-K124 VanDerWaalsContact C-N 3.29Å; T122-K124 PolarHBondContact O-N 2.64Å; T122-Y125 PolarHBondContact O-N 3.25Å; T122-Y125 WeakPolarHBondContact OG1-CB 3.13Å; T122-Y125 PolarHBondContact OG1-N 3.34Å; T122-F126 PolarHBondContact O-N 3.01Å; T122-F126 VanDerWaalsContact O-N 3.09Å
123D98.5Very high97Very high132 Ų13258.9 Ų58.971%0.70629%0.291SS*.Hα-helixtrans-60.6-40.1170.6-63.4-22.9000111.2Y125 F126 D127D123-Y125 PolarHBondContact O-N 3.34Å; D123-F126 PolarHBondContact O-N 2.94Å; D123-F126 VanDerWaalsContact O-N 3.11Å; D123-D127 WeakPolarHBondContact O-CB 3.36Å; D123-D127 VanDerWaalsContact O-CG 3.31Å; D123-D127 PolarHBondContact O-N 2.89Å
124K98.3Very high97.1Very high105 Ų10558 Ų5846%0.45729%0.288SS..Hα-helixtrans-57.8-44.1178.4-72.4174.5179.5164.30112.5E112 L113 T122 R128E112-K124 HydrophobicContact CB-CD 4.18Å; E112-K124 IonicContact OE1-NZ 3.31Å; E112-K124 PolarHBondContact OE1-NZ 2.97Å; E112-K124 WeakPolarHBondContact OE2-CD 3.09Å; E112-K124 IonicContact OE2-NZ 2.72Å; E112-K124 PolarHBondContact OE2-NZ 2.59Å; L113-K124 HydrophobicContact CD2-CB 4.09Å; T122-K124 VanDerWaalsContact C-N 3.29Å; T122-K124 PolarHBondContact O-N 2.64Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 WeakPolarHBondContact O-CG 3.49Å; K124-R128 PolarHBondContact O-N 3.21Å
125Y98.2Very high97.1Very high0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-62.7-50.4173.6157.2-110.4000110.7E112 L113 F115 A121 T122 D123 V129 P173 A174E112-Y125 PolarHBondContact O-N 2.77Å; L113-Y125 WeakPolarHBondContact O-CD2 3.08Å; F115-Y125 HydrophobicContact CB-CD2 4.44Å; F115-Y125 HydrophobicContact CB-CE1 4.26Å; F115-Y125 HydrophobicContact CB-CE2 3.56Å; F115-Y125 VanDerWaalsContact CB-CZ 3.46Å; F115-Y125 WeakPolarHBondContact CB-OH 3.12Å; A121-Y125 HydrophobicContact CB-CD1 4.04Å; A121-Y125 HydrophobicContact CB-CE1 4.33Å; T122-Y125 PolarHBondContact O-N 3.25Å; T122-Y125 WeakPolarHBondContact OG1-CB 3.13Å; T122-Y125 PolarHBondContact OG1-N 3.34Å; D123-Y125 PolarHBondContact O-N 3.34Å; Y125-V129 HydrophobicContact CD2-CG2 3.85Å; Y125-V129 HydrophobicContact CE2-CG2 3.6Å; Y125-V129 WeakPolarHBondContact O-CG2 3.3Å; Y125-V129 PolarHBondContact O-N 2.88Å; Y125-V129 VanDerWaalsContact O-N 3.16Å; Y125-P173 HydrophobicContact CE1-CG 4.15Å; Y125-A174 HydrophobicContact CD1-CB 4.21Å; Y125-A174 HydrophobicContact CE1-CB 3.53Å; Y125-A174 HydrophobicContact CE2-CB 4.21Å; Y125-A174 PolarHBondContact OH-N 2.86Å
126F98.6Very high97.3Very high85 Ų8558.8 Ų58.837%0.37330%0.296SS..Hα-helixtrans-61.1-51.3-175.7-174.1-90.9000112T122 D123 R128 V129 M130 A174 A177T122-F126 PolarHBondContact O-N 3.01Å; T122-F126 VanDerWaalsContact O-N 3.09Å; D123-F126 PolarHBondContact O-N 2.94Å; D123-F126 VanDerWaalsContact O-N 3.11Å; F126-R128 PolarHBondContact O-N 3.14Å; F126-V129 PolarHBondContact O-N 2.88Å; F126-M130 HydrophobicContact CD1-CG 3.99Å; F126-M130 HydrophobicContact CE1-CG 3.61Å; F126-M130 HydrophobicContact CE2-CG 4.29Å; F126-M130 HydrophobicContact CG-CG 4.48Å; F126-M130 HydrophobicContact CZ-CG 3.78Å; F126-M130 HydrophobicContact CZ-SD 4.27Å; F126-M130 WeakPolarHBondContact O-CB 3.31Å; F126-M130 VanDerWaalsContact O-CG 3.32Å; F126-M130 WeakPolarHBondContact O-CG 3.27Å; F126-M130 PolarHBondContact O-N 2.78Å; F126-A174 HydrophobicContact CB-CB 4.32Å; F126-A174 HydrophobicContact CD2-CB 3.6Å; F126-A174 HydrophobicContact CE2-CB 4.22Å; F126-A174 HydrophobicContact CG-CB 4.2Å; F126-A177 HydrophobicContact CE2-CB 4.29Å
127D98.7Very high97.6Very high98 Ų9857.3 Ų57.352%0.52429%0.292SS..Hα-helixtrans-61.9-43.1-176.5-73-16.5000111.9D123 M130 A131D123-D127 WeakPolarHBondContact O-CB 3.36Å; D123-D127 VanDerWaalsContact O-CG 3.31Å; D123-D127 PolarHBondContact O-N 2.89Å; D127-M130 PolarHBondContact O-N 2.98Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 2.83Å
128R98.5Very high97.9Very high126 Ų12658.8 Ų58.848%0.47530%0.298SS..Hα-helixtrans-67.4-45.7179.4-75.5-169.1-178178.1-0.1112.5G98 K124 F126 M130 A131 I132G98-R128 WeakPolarHBondContact O-CD 3.22Å; G98-R128 PolarHBondContact O-NH1 3.25Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 WeakPolarHBondContact O-CG 3.49Å; K124-R128 PolarHBondContact O-N 3.21Å; F126-R128 PolarHBondContact O-N 3.14Å; R128-M130 VanDerWaalsContact C-N 3.32Å; R128-M130 PolarHBondContact O-N 2.85Å; R128-A131 PolarHBondContact O-N 3.39Å; R128-I132 WeakPolarHBondContact O-CG1 3.44Å; R128-I132 PolarHBondContact O-N 3.35Å
129V98.6Very high98.1Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-63-42.6178.2173.40000110.4V95 D97 Y125 F126 N133 A174V95-V129 HydrophobicContact CG2-CG2 4.34Å; D97-V129 VanDerWaalsContact C-CG2 3.45Å; Y125-V129 HydrophobicContact CD2-CG2 3.85Å; Y125-V129 HydrophobicContact CE2-CG2 3.6Å; Y125-V129 WeakPolarHBondContact O-CG2 3.3Å; Y125-V129 PolarHBondContact O-N 2.88Å; Y125-V129 VanDerWaalsContact O-N 3.16Å; F126-V129 PolarHBondContact O-N 2.88Å; V129-N133 VanDerWaalsContact O-CB 3.27Å; V129-N133 WeakPolarHBondContact O-CB 3.47Å; V129-N133 PolarHBondContact O-N 2.9Å; V129-A174 HydrophobicContact CB-CB 3.77Å; V129-A174 HydrophobicContact CG1-CB 3.85Å; V129-A174 HydrophobicContact CG2-CB 4.35Å
130M98.8Very high98.3Very high48 Ų4846.8 Ų46.824%0.23624%0.239CC..Hα-helixtrans-64-44.3175.5-74.1-60.1-64.400112.2F126 D127 R128 I132 A134 G135 A177 S178F126-M130 HydrophobicContact CD1-CG 3.99Å; F126-M130 HydrophobicContact CE1-CG 3.61Å; F126-M130 HydrophobicContact CE2-CG 4.29Å; F126-M130 HydrophobicContact CG-CG 4.48Å; F126-M130 HydrophobicContact CZ-CG 3.78Å; F126-M130 HydrophobicContact CZ-SD 4.27Å; F126-M130 WeakPolarHBondContact O-CB 3.31Å; F126-M130 VanDerWaalsContact O-CG 3.32Å; F126-M130 WeakPolarHBondContact O-CG 3.27Å; F126-M130 PolarHBondContact O-N 2.78Å; D127-M130 PolarHBondContact O-N 2.98Å; R128-M130 VanDerWaalsContact C-N 3.32Å; R128-M130 PolarHBondContact O-N 2.85Å; M130-I132 VanDerWaalsContact C-N 3.3Å; M130-I132 PolarHBondContact O-N 3.04Å; M130-A134 HydrophobicContact CE-CB 3.95Å; M130-A134 PolarHBondContact O-N 3.3Å; M130-A134 VanDerWaalsContact O-N 3.12Å; M130-G135 PolarHBondContact O-N 3.33Å; M130-A177 HydrophobicContact SD-CB 4.13Å; M130-S178 VanDerWaalsContact SD-CA 3.59Å; M130-S178 VanDerWaalsContact SD-CB 3.56Å
131A98.7Very high98.5Very high39 Ų3943.1 Ų43.132%0.32222%0.222SC..Hα-helixtrans-61.5-36.7-179.600000112.8D127 R128 G135 G136D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 2.83Å; R128-A131 PolarHBondContact O-N 3.39Å; A131-G135 CarbonylContact O-C 3.38Å; A131-G135 VanDerWaalsContact O-CA 3.29Å; A131-G135 WeakPolarHBondContact O-CA 3.41Å; A131-G136 PolarHBondContact O-N 2.87Å
132I98.7Very high98.6Very high21 Ų2145.9 Ų45.911%0.10823%0.226CC..Hα-helixtrans-82.8-55.9179.1-64.8163.4000110.9V66 V95 R128 M130 G136V66-I132 HydrophobicContact CG2-CG2 4.2Å; V95-I132 HydrophobicContact CG1-CD1 4.37Å; V95-I132 HydrophobicContact CG1-CG2 4.26Å; V95-I132 HydrophobicContact CG2-CB 4.03Å; V95-I132 HydrophobicContact CG2-CD1 3.84Å; V95-I132 HydrophobicContact CG2-CG2 3.94Å; R128-I132 WeakPolarHBondContact O-CG1 3.44Å; R128-I132 PolarHBondContact O-N 3.35Å; M130-I132 VanDerWaalsContact C-N 3.3Å; M130-I132 PolarHBondContact O-N 3.04Å; I132-G136 WeakPolarHBondContact O-CA 3.49Å; I132-G136 PolarHBondContact O-N 3.47Å
133N98.5Very high98.7Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-72.5-58.7-170.7-70.3-4000111.9G94 V95 V129 T137 S178G94-N133 WeakPolarHBondContact CA-OD1 3.32Å; V95-N133 PolarHBondContact N-OD1 2.9Å; V95-N133 PolarHBondContact O-ND2 3.17Å; V95-N133 PolarHBondContact O-OD1 3.41Å; V129-N133 VanDerWaalsContact O-CB 3.27Å; V129-N133 WeakPolarHBondContact O-CB 3.47Å; V129-N133 PolarHBondContact O-N 2.9Å; N133-T137 VanDerWaalsContact O-CB 3.25Å; N133-T137 WeakPolarHBondContact O-CB 3.36Å; N133-T137 PolarHBondContact O-N 3.43Å; N133-T137 PolarHBondContact O-OG1 2.88Å; N133-S178 VanDerWaalsContact CB-CB 3.46Å; N133-S178 WeakPolarHBondContact CB-OG 3.22Å; N133-S178 PolarHBondContact ND2-OG 2.75Å
134A98.6Very high98.7Very high10 Ų1037.7 Ų37.78%0.08318%0.181CC..Hα-helixtrans-82.3-49.1-178.600000110.8M130 G136 T137 F138 A181M130-A134 HydrophobicContact CE-CB 3.95Å; M130-A134 PolarHBondContact O-N 3.3Å; M130-A134 VanDerWaalsContact O-N 3.12Å; A134-G136 VanDerWaalsContact C-N 3.34Å; A134-G136 PolarHBondContact O-N 3.49Å; A134-T137 PolarHBondContact O-N 3.46Å; A134-F138 WeakPolarHBondContact O-CB 3.47Å; A134-F138 PolarHBondContact O-N 3.03Å; A134-A181 HydrophobicContact CB-CB 3.83Å
135G98.8Very high98.7Very high17 Ų1732.9 Ų32.918%0.17516%0.16CC..Hα-helixtrans-66-33.5-179.900000113.2M130 A131 K139M130-G135 PolarHBondContact O-N 3.33Å; A131-G135 CarbonylContact O-C 3.38Å; A131-G135 VanDerWaalsContact O-CA 3.29Å; A131-G135 WeakPolarHBondContact O-CA 3.41Å; G135-K139 VanDerWaalsContact O-CG 3.23Å; G135-K139 WeakPolarHBondContact O-CG 3.48Å; G135-K139 PolarHBondContact O-N 3.06Å; G135-K139 PolarHBondContact O-NZ 3.23Å
136G98.8Very high98.8Very high1 Ų135.2 Ų35.21%0.0118%0.179CC..Hα-helixtrans-75.2-45175.700000111.8V66 A131 I132 A134 F138 K139 S140V66-G136 VanDerWaalsContact O-CA 3.23Å; V66-G136 WeakPolarHBondContact O-CA 3.38Å; A131-G136 PolarHBondContact O-N 2.87Å; I132-G136 WeakPolarHBondContact O-CA 3.49Å; I132-G136 PolarHBondContact O-N 3.47Å; A134-G136 VanDerWaalsContact C-N 3.34Å; A134-G136 PolarHBondContact O-N 3.49Å; G136-F138 VanDerWaalsContact C-N 3.29Å; G136-F138 PolarHBondContact O-N 3.02Å; G136-K139 PolarHBondContact O-N 2.76Å; G136-K139 VanDerWaalsContact O-N 3.12Å; G136-S140 PolarHBondContact O-N 3.34Å; G136-S140 PolarHBondContact O-OG 3.47Å; G136-S140 VanDerWaalsContact O-OG 3.13Å
137T98.8Very high98.8Very high7 Ų733.3 Ų33.34%0.04317%0.169CC..Hα-helixtrans-54.3-46.4172.1-62.50000111.5N133 A134 K139 S140 L141 T159 I182 L185N133-T137 VanDerWaalsContact O-CB 3.25Å; N133-T137 WeakPolarHBondContact O-CB 3.36Å; N133-T137 PolarHBondContact O-N 3.43Å; N133-T137 PolarHBondContact O-OG1 2.88Å; A134-T137 PolarHBondContact O-N 3.46Å; T137-K139 PolarHBondContact O-N 2.89Å; T137-S140 PolarHBondContact O-N 3.48Å; T137-L141 HydrophobicContact CG2-CD1 3.81Å; T137-L141 HydrophobicContact CG2-CG 4.26Å; T137-L141 VanDerWaalsContact O-CB 3.32Å; T137-L141 WeakPolarHBondContact O-CB 3.48Å; T137-L141 VanDerWaalsContact O-CG 3.25Å; T137-L141 WeakPolarHBondContact O-CG 3.28Å; T137-L141 PolarHBondContact O-N 2.79Å; T137-T159 HydrophobicContact CG2-CG2 3.86Å; T137-I182 HydrophobicContact CG2-CG1 4.33Å; T137-L185 HydrophobicContact CG2-CD1 4.13Å
138F98.9Very high98.8Very high99 Ų9928.7 Ų28.743%0.43415%0.145SC..Hα-helixtrans-59-45.7176.9169.6-103.3000112.5A134 G136 R142 L185A134-F138 WeakPolarHBondContact O-CB 3.47Å; A134-F138 PolarHBondContact O-N 3.03Å; G136-F138 VanDerWaalsContact C-N 3.29Å; G136-F138 PolarHBondContact O-N 3.02Å; F138-R142 WeakPolarHBondContact O-CB 3.46Å; F138-R142 PolarHBondContact O-N 3.43Å; F138-L185 HydrophobicContact CB-CD1 4.12Å; F138-L185 HydrophobicContact CB-CD2 4.33Å; F138-L185 HydrophobicContact CD2-CD2 4.05Å
139K98.9Very high98.8Very high37 Ų3724.8 Ų24.816%0.16114%0.135CC..Hα-helixtrans-68.7-42-179-70.6177.4-159.892.20112S67 T72 G135 G136 T137 R142 A143S67-K139 VanDerWaalsContact O-CD 3.29Å; S67-K139 WeakPolarHBondContact O-CD 3.33Å; S67-K139 WeakPolarHBondContact O-CE 3.25Å; S67-K139 PolarHBondContact O-NZ 3.11Å; T72-K139 HydrophobicContact CG2-CB 3.83Å; G135-K139 VanDerWaalsContact O-CG 3.23Å; G135-K139 WeakPolarHBondContact O-CG 3.48Å; G135-K139 PolarHBondContact O-N 3.06Å; G135-K139 PolarHBondContact O-NZ 3.23Å; G136-K139 PolarHBondContact O-N 2.76Å; G136-K139 VanDerWaalsContact O-N 3.12Å; T137-K139 PolarHBondContact O-N 2.89Å; K139-R142 PolarHBondContact O-N 3.28Å; K139-A143 PolarHBondContact O-N 3.49Å
140S98.9Very high98.8Very high1 Ų133.1 Ų33.11%0.00717%0.171CC..Hα-helixtrans-59.8-52.6173.6-60.50000111.2N91 G136 T137 R142 A143 E144N91-S140 WeakPolarHBondContact OD1-CB 3.3Å; G136-S140 PolarHBondContact O-N 3.34Å; G136-S140 PolarHBondContact O-OG 3.47Å; G136-S140 VanDerWaalsContact O-OG 3.13Å; T137-S140 PolarHBondContact O-N 3.48Å; S140-R142 VanDerWaalsContact C-N 3.26Å; S140-R142 PolarHBondContact O-N 3.13Å; S140-A143 PolarHBondContact O-N 3.37Å; S140-A143 VanDerWaalsContact O-N 3.1Å; S140-E144 WeakPolarHBondContact O-CB 3.36Å; S140-E144 WeakPolarHBondContact O-CG 3.4Å; S140-E144 PolarHBondContact O-N 3.4Å
141L98.9Very high98.8Very high7 Ų732.8 Ų32.84%0.03717%0.169CC..Hα-helixtrans-53.4-45.9175.9-76.5171.5000111.1T137 A143 E144 L145 I157 L185 I186 V200T137-L141 HydrophobicContact CG2-CD1 3.81Å; T137-L141 HydrophobicContact CG2-CG 4.26Å; T137-L141 VanDerWaalsContact O-CB 3.32Å; T137-L141 WeakPolarHBondContact O-CB 3.48Å; T137-L141 VanDerWaalsContact O-CG 3.25Å; T137-L141 WeakPolarHBondContact O-CG 3.28Å; T137-L141 PolarHBondContact O-N 2.79Å; L141-A143 PolarHBondContact O-N 2.94Å; L141-E144 PolarHBondContact O-N 2.57Å; L141-L145 HydrophobicContact CB-CD1 4.08Å; L141-L145 HydrophobicContact CD2-CD1 4.34Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 VanDerWaalsContact O-CD1 3.29Å; L141-L145 WeakPolarHBondContact O-CD1 3.19Å; L141-L145 WeakPolarHBondContact O-CG 3.39Å; L141-L145 PolarHBondContact O-N 2.86Å; L141-I157 HydrophobicContact CD2-CD1 4.12Å; L141-I157 HydrophobicContact CD2-CG2 3.86Å; L141-L185 HydrophobicContact CD1-CB 4.13Å; L141-I186 HydrophobicContact CD1-CD1 4.24Å; L141-V200 HydrophobicContact CD2-CG1 4.2Å
142R98.8Very high98.8Very high90 Ų9034 Ų3434%0.3419%0.185SC..Hα-helixtrans-60-45.2179.3-174.7177.563.2178.7-3.3112.3T69 F138 K139 S140 A146T69-R142 PolarHBondContact OG1-NH2 3.46Å; F138-R142 WeakPolarHBondContact O-CB 3.46Å; F138-R142 PolarHBondContact O-N 3.43Å; K139-R142 PolarHBondContact O-N 3.28Å; S140-R142 VanDerWaalsContact C-N 3.26Å; S140-R142 PolarHBondContact O-N 3.13Å; R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 3.08Å; R142-A146 VanDerWaalsContact O-N 3.08Å
143A98.9Very high98.7Very high1 Ų138.5 Ų38.51%0.00820%0.204CC..Hα-helixtrans-69-46179.100000112.1T72 Y73 V76 K139 S140 L141 Y147T72-A143 VanDerWaalsContact O-CB 3.26Å; T72-A143 WeakPolarHBondContact O-CB 3.33Å; Y73-A143 HydrophobicContact CD1-CB 4.35Å; Y73-A143 HydrophobicContact CD2-CB 4.01Å; Y73-A143 HydrophobicContact CE1-CB 4.46Å; Y73-A143 HydrophobicContact CE2-CB 4.13Å; Y73-A143 HydrophobicContact CG-CB 4.14Å; V76-A143 HydrophobicContact CG2-CB 3.93Å; K139-A143 PolarHBondContact O-N 3.49Å; S140-A143 PolarHBondContact O-N 3.37Å; S140-A143 VanDerWaalsContact O-N 3.1Å; L141-A143 PolarHBondContact O-N 2.94Å; A143-Y147 PolarHBondContact O-N 3.04Å
144E98.9Very high98.7Very high0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-60.1-52.1178.6-69.6160-179.700111.3L12 V76 L86 A89 N91 S140 L141 Y147 M148 I157L12-E144 HydrophobicContact CD2-CG 4.22Å; V76-E144 HydrophobicContact CG2-CG 4.41Å; L86-E144 HydrophobicContact CD2-CB 4.35Å; L86-E144 HydrophobicContact CD2-CG 4.28Å; A89-E144 VanDerWaalsContact CB-CD 3.41Å; A89-E144 HydrophobicContact CB-CG 3.96Å; A89-E144 WeakPolarHBondContact CB-OE1 3.49Å; N91-E144 PolarHBondContact ND2-OE1 2.91Å; N91-E144 PolarHBondContact ND2-OE2 2.88Å; N91-E144 PolarHBondContact OD1-OE1 3.35Å; N91-E144 VanDerWaalsContact OD1-OE1 3.05Å; S140-E144 WeakPolarHBondContact O-CB 3.36Å; S140-E144 WeakPolarHBondContact O-CG 3.4Å; S140-E144 PolarHBondContact O-N 3.4Å; L141-E144 PolarHBondContact O-N 2.57Å; E144-Y147 PolarHBondContact O-N 3.44Å; E144-M148 WeakPolarHBondContact O-CB 3.38Å; E144-M148 WeakPolarHBondContact O-CG 3.47Å; E144-M148 PolarHBondContact O-N 3.14Å; E144-I157 HydrophobicContact CB-CD1 4.01Å
145L98.9Very high98.7Very high4 Ų439.2 Ų39.22%0.02121%0.212CC..Hα-helixtrans-67.3-39.2-177.8-66.7165.3000111.7L141 Y147 M148 V149 I157 A189 Y193 I198L141-L145 HydrophobicContact CB-CD1 4.08Å; L141-L145 HydrophobicContact CD2-CD1 4.34Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 VanDerWaalsContact O-CD1 3.29Å; L141-L145 WeakPolarHBondContact O-CD1 3.19Å; L141-L145 WeakPolarHBondContact O-CG 3.39Å; L141-L145 PolarHBondContact O-N 2.86Å; L145-Y147 VanDerWaalsContact C-N 3.26Å; L145-Y147 PolarHBondContact O-N 3.5Å; L145-M148 PolarHBondContact O-N 3.22Å; L145-V149 WeakPolarHBondContact O-CB 3.29Å; L145-V149 VanDerWaalsContact O-CG2 3.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 3.01Å; L145-I157 HydrophobicContact CD2-CD1 3.67Å; L145-I157 HydrophobicContact CG-CD1 3.94Å; L145-A189 HydrophobicContact CD1-CB 4.06Å; L145-Y193 HydrophobicContact CB-CD1 4.14Å; L145-Y193 HydrophobicContact CB-CE1 3.72Å; L145-Y193 HydrophobicContact CB-CE2 4.47Å; L145-Y193 HydrophobicContact CD1-CD2 3.85Å; L145-Y193 HydrophobicContact CD1-CE1 4.36Å; L145-Y193 HydrophobicContact CD1-CE2 3.6Å; L145-Y193 HydrophobicContact CD1-CG 4.34Å; L145-Y193 HydrophobicContact CD2-CD1 3.91Å; L145-Y193 HydrophobicContact CD2-CD2 4.1Å; L145-Y193 HydrophobicContact CD2-CE1 4.32Å; L145-Y193 HydrophobicContact CD2-CG 3.78Å; L145-Y193 HydrophobicContact CG-CD1 4.44Å; L145-Y193 HydrophobicContact CG-CD2 4.47Å; L145-Y193 HydrophobicContact CG-CE1 4.35Å; L145-Y193 HydrophobicContact CG-CE2 4.41Å; L145-Y193 HydrophobicContact CG-CG 4.49Å; L145-I198 HydrophobicContact CD2-CD1 4.2Å; L145-I198 HydrophobicContact CD2-CG2 3.82Å
146A98.8Very high98.7Very high48 Ų4838.6 Ų38.640%0.39721%0.205SC..Hα-helixtrans-56.9-42.5175.700000111.5R142 K150R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 3.08Å; R142-A146 VanDerWaalsContact O-N 3.08Å; A146-K150 WeakPolarHBondContact O-CB 3.16Å; A146-K150 PolarHBondContact O-N 2.97Å
147Y98.8Very high98.7Very high45 Ų4538.5 Ų38.518%0.17621%0.205CC..Hα-helixtrans-75.2-45.2176.4-178.4-91.4000112.8V76 V80 L86 A143 E144 L145 V149 K150 Q151V76-Y147 HydrophobicContact CG1-CD2 4.47Å; V76-Y147 HydrophobicContact CG1-CG 3.94Å; V80-Y147 HydrophobicContact CB-CE2 4.13Å; V80-Y147 HydrophobicContact CG1-CE2 3.71Å; V80-Y147 WeakPolarHBondContact CG1-OH 3.46Å; V80-Y147 HydrophobicContact CG2-CD1 4Å; V80-Y147 HydrophobicContact CG2-CD2 3.81Å; V80-Y147 HydrophobicContact CG2-CE1 3.52Å; V80-Y147 HydrophobicContact CG2-CE2 3.34Å; V80-Y147 HydrophobicContact CG2-CG 4.11Å; V80-Y147 WeakPolarHBondContact CG2-OH 3.46Å; L86-Y147 HydrophobicContact CB-CD1 3.66Å; L86-Y147 HydrophobicContact CB-CE1 3.77Å; L86-Y147 HydrophobicContact CD2-CD1 4.38Å; A143-Y147 PolarHBondContact O-N 3.04Å; E144-Y147 PolarHBondContact O-N 3.44Å; L145-Y147 VanDerWaalsContact C-N 3.26Å; L145-Y147 PolarHBondContact O-N 3.5Å; Y147-V149 VanDerWaalsContact C-N 3.3Å; Y147-V149 PolarHBondContact O-N 3.12Å; Y147-K150 WeakPolarHBondContact O-CB 3.28Å; Y147-K150 PolarHBondContact O-N 3.49Å; Y147-K150 VanDerWaalsContact O-N 3.09Å; Y147-Q151 HydrophobicContact CD1-CB 4.4Å; Y147-Q151 HydrophobicContact CE1-CB 3.98Å; Y147-Q151 HydrophobicContact CE1-CG 4.22Å; Y147-Q151 WeakPolarHBondContact O-CB 3.5Å; Y147-Q151 PolarHBondContact O-N 3.16Å
148M98.9Very high98.7Very high1 Ų138.2 Ų38.21%0.00520%0.203CC..Hα-helixtrans-59.9-39.2-179.6-73.3-177.8-179.900112.2L86 A89 E144 L145 Q151 G152 I157 I198L86-M148 HydrophobicContact CD2-CE 4.29Å; L86-M148 HydrophobicContact CG-CE 3.94Å; A89-M148 HydrophobicContact CB-CE 4.42Å; E144-M148 WeakPolarHBondContact O-CB 3.38Å; E144-M148 WeakPolarHBondContact O-CG 3.47Å; E144-M148 PolarHBondContact O-N 3.14Å; L145-M148 PolarHBondContact O-N 3.22Å; M148-Q151 PolarHBondContact O-N 3.42Å; M148-G152 PolarHBondContact O-N 2.96Å; M148-G152 VanDerWaalsContact O-N 3.11Å; M148-I157 HydrophobicContact CE-CD1 4.36Å; M148-I157 HydrophobicContact CE-CG1 3.95Å; M148-I157 HydrophobicContact SD-CD1 4.01Å; M148-I157 HydrophobicContact SD-CG1 3.99Å; M148-I198 HydrophobicContact CB-CD1 3.57Å; M148-I198 HydrophobicContact CB-CG1 4.23Å; M148-I198 HydrophobicContact SD-CG2 4.16Å
149V98.8Very high98.7Very high44 Ų4433.5 Ų33.527%0.26718%0.182SC..Hα-helixtrans-62.5-47.1173.1170.60000111.1L145 Y147 Q151 G152 Y193 Y196 I198L145-V149 WeakPolarHBondContact O-CB 3.29Å; L145-V149 VanDerWaalsContact O-CG2 3.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 3.01Å; Y147-V149 VanDerWaalsContact C-N 3.3Å; Y147-V149 PolarHBondContact O-N 3.12Å; V149-Q151 VanDerWaalsContact C-N 3.29Å; V149-Q151 PolarHBondContact O-N 3.39Å; V149-G152 PolarHBondContact O-N 3.16Å; V149-Y193 HydrophobicContact CG2-CD1 3.55Å; V149-Y193 HydrophobicContact CG2-CE1 3.7Å; V149-Y196 HydrophobicContact CG1-CD1 4.04Å; V149-Y196 HydrophobicContact CG1-CE1 3.82Å; V149-Y196 HydrophobicContact CG1-CE2 4.45Å; V149-Y196 HydrophobicContact CG1-CG 4.45Å; V149-Y196 HydrophobicContact CG2-CD1 4.31Å; V149-Y196 HydrophobicContact CG2-CD2 3.69Å; V149-Y196 HydrophobicContact CG2-CE2 3.96Å; V149-Y196 HydrophobicContact CG2-CG 3.89Å; V149-I198 HydrophobicContact CG2-CD1 3.93Å
150K98.7Very high98.6Very high176 Ų17632.1 Ų32.177%0.76518%0.176SC*.Hα-helixtrans-60.8-39.2177.2-179.3-175.4176.1-177.30112.1A146 Y147 G152A146-K150 WeakPolarHBondContact O-CB 3.16Å; A146-K150 PolarHBondContact O-N 2.97Å; Y147-K150 WeakPolarHBondContact O-CB 3.28Å; Y147-K150 PolarHBondContact O-N 3.49Å; Y147-K150 VanDerWaalsContact O-N 3.09Å; K150-G152 VanDerWaalsContact C-N 3.29Å; K150-G152 PolarHBondContact O-N 3.42Å
151Q98.3Very high98.4Very high41 Ų4132.1 Ų32.119%0.19218%0.177CC..Hα-helixtrans-67.9-28.8179.6-174.3-175.6-11600112.1S85 L86 Y147 M148 V149 K153S85-Q151 VanDerWaalsContact CB-OE1 3.26Å; L86-Q151 VanDerWaalsContact N-OE1 3.17Å; L86-Q151 PolarHBondContact O-NE2 3.38Å; Y147-Q151 HydrophobicContact CD1-CB 4.4Å; Y147-Q151 HydrophobicContact CE1-CB 3.98Å; Y147-Q151 HydrophobicContact CE1-CG 4.22Å; Y147-Q151 WeakPolarHBondContact O-CB 3.5Å; Y147-Q151 PolarHBondContact O-N 3.16Å; M148-Q151 PolarHBondContact O-N 3.42Å; V149-Q151 VanDerWaalsContact C-N 3.29Å; V149-Q151 PolarHBondContact O-N 3.39Å; Q151-K153 VanDerWaalsContact C-N 3.34Å; Q151-K153 HydrophobicContact CG-CD 3.78Å; Q151-K153 HydrophobicContact CG-CG 3.89Å; Q151-K153 PolarHBondContact O-N 2.93Å
152G98.4Very high98Very high64 Ų6432.2 Ų32.266%0.6618%0.178SC*.THydrogen-bonded Turntrans71.319.1166.900000116M148 V149 K150M148-G152 PolarHBondContact O-N 2.96Å; M148-G152 VanDerWaalsContact O-N 3.11Å; V149-G152 PolarHBondContact O-N 3.16Å; K150-G152 VanDerWaalsContact C-N 3.29Å; K150-G152 PolarHBondContact O-N 3.42Å
153K98Very high97.5Very high115 Ų11528.3 Ų28.350%0.517%0.165SC..SBendtrans-120.815.7-17775.9-172.1-158-170.40114.5S85 D87 Q151S85-K153 VanDerWaalsContact CB-NZ 3.31Å; D87-K153 WeakPolarHBondContact OD1-CE 3.42Å; D87-K153 IonicContact OD1-NZ 3.81Å; D87-K153 PolarHBondContact OD1-NZ 3.36Å; D87-K153 IonicContact OD2-NZ 3.3Å; Q151-K153 VanDerWaalsContact C-N 3.34Å; Q151-K153 HydrophobicContact CG-CD 3.78Å; Q151-K153 HydrophobicContact CG-CG 3.89Å; Q151-K153 PolarHBondContact O-N 2.93Å
154G98.4Very high96.9Very high8 Ų828.4 Ų28.48%0.08217%0.165CC..  trans77.2-163.4-171.800000113.4Y196 G197G154-Y196 VanDerWaalsContact CA-O 3.28Å; G154-Y196 WeakPolarHBondContact CA-O 3.46Å; G154-G197 VanDerWaalsContact CA-O 3.24Å; G154-G197 WeakPolarHBondContact CA-O 3.42Å
155G98.7Very high96Very high17 Ų1728.7 Ų28.718%0.17517%0.167CC..EExtended strand (participates in β ladder)trans169.9171.1179.100000112.7D87 G197 I198 R199D87-G155 VanDerWaalsContact O-CA 3.31Å; D87-G155 WeakPolarHBondContact O-CA 3.35Å; G155-G197 PolarHBondContact N-O 3.2Å; G155-I198 WeakPolarHBondContact O-CA 3.35Å; G155-R199 PolarHBondContact O-N 3.32Å
156S98.9Very high95.2Very high4 Ų432.7 Ų32.73%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-135.8123.3175.2-171.10000111.9D87 M88 A89 R199 L263 L264D87-S156 PolarHBondContact O-N 2.84Å; M88-S156 CarbonylContact C-O 3.29Å; M88-S156 WeakPolarHBondContact CA-O 3.29Å; A89-S156 PolarHBondContact N-O 3.45Å; S156-R199 CarbonylContact C-O 3.12Å; S156-R199 WeakPolarHBondContact CA-O 3.42Å; S156-R199 PolarHBondContact OG-NH2 3.45Å; S156-L263 PolarHBondContact OG-O 2.84Å; S156-L263 VanDerWaalsContact OG-O 3.13Å; S156-L264 VanDerWaalsContact O-CD2 3.25Å; S156-L264 WeakPolarHBondContact O-CD2 3.3Å; S156-L264 WeakPolarHBondContact OG-CA 3.5Å
157I98.9Very high94.4Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-116.3130177.7-55.1179.9000109.1A89 L141 E144 L145 M148 R199 V200 N201A89-I157 HydrophobicContact CB-CG1 4.14Å; A89-I157 HydrophobicContact CB-CG2 4.26Å; A89-I157 WeakPolarHBondContact O-CA 3.37Å; L141-I157 HydrophobicContact CD2-CD1 4.12Å; L141-I157 HydrophobicContact CD2-CG2 3.86Å; E144-I157 HydrophobicContact CB-CD1 4.01Å; L145-I157 HydrophobicContact CD2-CD1 3.67Å; L145-I157 HydrophobicContact CG-CD1 3.94Å; M148-I157 HydrophobicContact CE-CD1 4.36Å; M148-I157 HydrophobicContact CE-CG1 3.95Å; M148-I157 HydrophobicContact SD-CD1 4.01Å; M148-I157 HydrophobicContact SD-CG1 3.99Å; I157-R199 PolarHBondContact N-O 3.48Å; I157-V200 HydrophobicContact CB-CG1 4.18Å; I157-V200 HydrophobicContact CB-CG2 4.46Å; I157-V200 HydrophobicContact CG2-CG1 4.34Å; I157-V200 WeakPolarHBondContact O-CA 3.32Å; I157-N201 PolarHBondContact O-N 2.93Å
158V98.9Very high93.7Very high0 Ų034.1 Ų34.10%020%0.201CC..EExtended strand (participates in β ladder)trans-118.4131.5169.7173.60000108.8A89 L90 N91 N201 V203 I260 L263 L264A89-V158 PolarHBondContact O-N 3.03Å; L90-V158 CarbonylContact C-O 3.59Å; L90-V158 VanDerWaalsContact CA-O 3.32Å; L90-V158 WeakPolarHBondContact CA-O 3.31Å; L90-V158 HydrophobicContact CD1-CB 4.26Å; L90-V158 HydrophobicContact CD1-CG1 4.09Å; L90-V158 WeakPolarHBondContact CD1-O 3.32Å; N91-V158 PolarHBondContact N-O 3.1Å; V158-N201 WeakPolarHBondContact CA-O 3.43Å; V158-V203 HydrophobicContact CG1-CG2 3.84Å; V158-I260 HydrophobicContact CB-CG2 4.29Å; V158-I260 HydrophobicContact CG1-CG1 4.31Å; V158-I260 HydrophobicContact CG1-CG2 4.01Å; V158-L263 HydrophobicContact CG2-CB 3.57Å; V158-L263 HydrophobicContact CG2-CD1 4.35Å; V158-L264 HydrophobicContact CB-CD2 4.05Å; V158-L264 HydrophobicContact CB-CG 4.29Å; V158-L264 HydrophobicContact CG2-CD2 3.66Å; V158-L264 HydrophobicContact CG2-CG 3.78Å
159T98.7Very high93.1Very high0 Ų036.3 Ų36.30%021%0.211CC..EExtended strand (participates in β ladder)trans-112.5139.1173.7-59.60000110.9N91 T137 G161 I182 I186 N201 S202 V203N91-T159 HydrophobicContact CB-CG2 3.92Å; T137-T159 HydrophobicContact CG2-CG2 3.86Å; T159-G161 PolarHBondContact O-N 2.95Å; T159-G161 VanDerWaalsContact O-N 3.14Å; T159-I182 HydrophobicContact CG2-CD1 4.32Å; T159-I182 HydrophobicContact CG2-CG2 3.65Å; T159-I186 VanDerWaalsContact CB-CD1 3.48Å; T159-I186 HydrophobicContact CG2-CD1 4.21Å; T159-I186 WeakPolarHBondContact OG1-CD1 3.1Å; T159-N201 PolarHBondContact N-O 2.95Å; T159-S202 VanDerWaalsContact O-CA 3.22Å; T159-S202 WeakPolarHBondContact O-CA 3.3Å; T159-V203 PolarHBondContact O-N 2.9Å
160I96.8Very high92.5Very high8 Ų835.5 Ų35.54%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-76.7101.9173.8-57.4-51.3000109.1M20 L90 N91 A92 K179 M205 I260M20-I160 HydrophobicContact CE-CG2 3.98Å; L90-I160 HydrophobicContact CD1-CD1 3.79Å; L90-I160 HydrophobicContact CD1-CG1 4.03Å; N91-I160 PolarHBondContact O-N 3.32Å; A92-I160 HydrophobicContact CB-CB 4.44Å; A92-I160 HydrophobicContact CB-CG1 3.52Å; I160-K179 PolarHBondContact O-NZ 3.09Å; I160-M205 HydrophobicContact CD1-CE 3.92Å; I160-M205 HydrophobicContact CG2-CE 3.72Å; I160-M205 HydrophobicContact CG2-SD 4.05Å; I160-I260 HydrophobicContact CD1-CD1 3.55Å; I160-I260 HydrophobicContact CD1-CG1 4.04Å
161G93.1Very high92Very high2 Ų227.6 Ų27.62%0.02118%0.175CC..  trans-75.6-141.2169.400000111.1T159 K179 V203T159-G161 PolarHBondContact O-N 2.95Å; T159-G161 VanDerWaalsContact O-N 3.14Å; G161-K179 PolarHBondContact O-NZ 3.19Å; G161-V203 WeakPolarHBondContact CA-O 3.31Å; G161-V203 PolarHBondContact N-O 2.66Å
162S91.6Very high91.7Very high9 Ų925.8 Ų25.86%0.06317%0.166CC..  trans-166.8157.8174.8178.60000108.1T164 A165 N204 M205S162-T164 WeakPolarHBondContact CB-OG1 3.14Å; S162-T164 PolarHBondContact O-N 3.08Å; S162-T164 WeakPolarHBondContact OG-CB 3.23Å; S162-T164 PolarHBondContact OG-N 3Å; S162-T164 PolarHBondContact OG-OG1 3.26Å; S162-A165 WeakPolarHBondContact O-CB 3.25Å; S162-A165 PolarHBondContact O-N 3.27Å; S162-N204 WeakPolarHBondContact O-CB 3.25Å; S162-N204 PolarHBondContact O-ND2 3.12Å; S162-M205 CarbonylContact C-O 3.21Å
163S87.7Confident91.6Very high8 Ų823.9 Ų23.96%0.05614%0.143CC..G310 helixtrans-57.4-32163.268.80000110.2A165 I166 H167 M205S163-A165 PolarHBondContact O-N 2.89Å; S163-A165 VanDerWaalsContact O-N 3.07Å; S163-I166 PolarHBondContact O-N 3.07Å; S163-H167 VanDerWaalsContact C-CD2 3.47Å; S163-H167 VanDerWaalsContact C-NE2 3.26Å; S163-H167 WeakPolarHBondContact CB-NE2 3.16Å; S163-H167 PolarHBondContact O-CD2 3.01Å; S163-H167 PolarHBondContact O-N 2.97Å; S163-H167 VanDerWaalsContact O-N 3.16Å; S163-H167 PolarHBondContact O-NE2 3.3Å; S163-H167 PolarHBondContact OG-NE2 2.74Å; S163-M205 PolarHBondContact N-O 3.47Å
164T86.3Confident91.6Very high2 Ų218.4 Ų18.41%0.01212%0.119CC..G310 helixtrans-68.7-0.7173.167.80000114.9S162 I166 H167 Q169 Y175 H180S162-T164 WeakPolarHBondContact CB-OG1 3.14Å; S162-T164 PolarHBondContact O-N 3.08Å; S162-T164 WeakPolarHBondContact OG-CB 3.23Å; S162-T164 PolarHBondContact OG-N 3Å; S162-T164 PolarHBondContact OG-OG1 3.26Å; T164-I166 VanDerWaalsContact C-N 3.27Å; T164-H167 CarbonylContact C-O 3.56Å; T164-H167 VanDerWaalsContact C-O 3.23Å; T164-H167 WeakPolarHBondContact CA-O 3.29Å; T164-Q169 HydrophobicContact CG2-CB 4.11Å; T164-Y175 HydrophobicContact CG2-CE1 4.48Å; T164-Y175 VanDerWaalsContact OG1-CE1 3.3Å; T164-Y175 WeakPolarHBondContact OG1-CE1 3.4Å; T164-H180 PolarHBondContact O-CE1 3.04Å; T164-H180 PolarHBondContact O-ND1 2.88Å
165A79.8Confident91.5Very high6 Ų619.1 Ų19.15%0.0512%0.119CC..G310 helixtrans-83.3-6.716800000112.7S162 S163 K179 H180S162-A165 WeakPolarHBondContact O-CB 3.25Å; S162-A165 PolarHBondContact O-N 3.27Å; S163-A165 PolarHBondContact O-N 2.89Å; S163-A165 VanDerWaalsContact O-N 3.07Å; A165-K179 HydrophobicContact CB-CB 4.06Å; A165-K179 VanDerWaalsContact CB-O 3.23Å; A165-K179 WeakPolarHBondContact CB-O 3.32Å; A165-H180 PolarHBondContact O-CD2 2.96Å
166I83.1Confident91.4Very high88 Ų8819.2 Ų19.245%0.45112%0.116SC..THydrogen-bonded Turntrans-121.2-34-179.1-51.2174000110.7S163 T164 T275 I277S163-I166 PolarHBondContact O-N 3.07Å; T164-I166 VanDerWaalsContact C-N 3.27Å; I166-T275 HydrophobicContact CD1-CG2 4.39Å; I166-I277 HydrophobicContact CD1-CD1 4.01Å; I166-I277 HydrophobicContact CD1-CG1 4.27Å
167H82.7Confident91.3Very high49 Ų4920.9 Ų20.923%0.22713%0.13CC..SBendtrans-128.1171.7175.269.582000111.6S163 T164 Y282S163-H167 VanDerWaalsContact C-CD2 3.47Å; S163-H167 VanDerWaalsContact C-NE2 3.26Å; S163-H167 WeakPolarHBondContact CB-NE2 3.16Å; S163-H167 PolarHBondContact O-CD2 3.01Å; S163-H167 PolarHBondContact O-N 2.97Å; S163-H167 VanDerWaalsContact O-N 3.16Å; S163-H167 PolarHBondContact O-NE2 3.3Å; S163-H167 PolarHBondContact OG-NE2 2.74Å; T164-H167 CarbonylContact C-O 3.56Å; T164-H167 VanDerWaalsContact C-O 3.23Å; T164-H167 WeakPolarHBondContact CA-O 3.29Å; H167-Y282 AromaticContact CE1-CE1 3.6Å; H167-Y282 AromaticContact NE2-CD1 3.83Å; H167-Y282 AromaticContact NE2-CE1 3.4Å; H167-Y282 WeakPolarHBondContact NE2-CE1 3.23Å
168A84.1Confident91.3Very high75 Ų7520.9 Ų20.962%0.6213%0.13SC*.  trans-95.9161.1173.800000111.9V176A168-V176 HydrophobicContact CB-CG1 4.15Å
169Q85Confident91.2Very high46 Ų4621.2 Ų21.222%0.21513%0.132CC..  trans-133.5146.8167.1-179.3174.41100108.7T164 I172T164-Q169 HydrophobicContact CG2-CB 4.11Å; Q169-I172 HydrophobicContact CB-CD1 3.89Å; Q169-I172 HydrophobicContact CB-CG1 4.05Å; Q169-I172 HydrophobicContact CG-CD1 4.1Å; Q169-I172 HydrophobicContact CG-CG1 4.31Å
170S85.6Confident91.1Very high27 Ų2725.1 Ų25.119%0.18915%0.15CC..THydrogen-bonded Turntrans-60.1148.3-177.6-1630000112.9I172S170-I172 PolarHBondContact O-N 3.34Å
171A88.4Confident91.2Very high11 Ų1126.5 Ų26.59%0.09116%0.163CC..THydrogen-bonded Turntrans59.811.1170.100000117F115 R116F115-A171 CarbonylContact C-O 3.56Å; F115-A171 VanDerWaalsContact CB-O 3.25Å; F115-A171 WeakPolarHBondContact CB-O 3.4Å; F115-A171 VanDerWaalsContact CD2-O 3.3Å; F115-A171 WeakPolarHBondContact CD2-O 3.49Å; R116-A171 CarbonylContact C-O 3.59Å; R116-A171 PolarHBondContact N-O 2.7Å; R116-A171 CarbonylContact O-C 3.53Å; R116-A171 VanDerWaalsContact O-O 3.13Å
172I93.4Very high91.4Very high2 Ų226.5 Ų26.51%0.0116%0.162CC..  trans-126.451.5176.856.1167.4000113.3I96 F115 Q169 S170 A174 Y175 V176 F216I96-I172 HydrophobicContact CD1-CB 4.27Å; I96-I172 HydrophobicContact CD1-CD1 3.93Å; I96-I172 HydrophobicContact CD1-CG2 3.95Å; I96-I172 HydrophobicContact CG1-CG2 4.25Å; F115-I172 HydrophobicContact CB-CG2 3.86Å; F115-I172 HydrophobicContact CD1-CG2 4.1Å; F115-I172 HydrophobicContact CD2-CG2 3.64Å; F115-I172 HydrophobicContact CE2-CG2 4.21Å; F115-I172 HydrophobicContact CG-CG2 3.59Å; Q169-I172 HydrophobicContact CB-CD1 3.89Å; Q169-I172 HydrophobicContact CB-CG1 4.05Å; Q169-I172 HydrophobicContact CG-CD1 4.1Å; Q169-I172 HydrophobicContact CG-CG1 4.31Å; S170-I172 PolarHBondContact O-N 3.34Å; I172-A174 PolarHBondContact O-N 2.87Å; I172-Y175 HydrophobicContact CD1-CD1 3.84Å; I172-Y175 HydrophobicContact CD1-CG 4.42Å; I172-Y175 WeakPolarHBondContact O-CB 3.18Å; I172-Y175 PolarHBondContact O-N 3.44Å; I172-Y175 VanDerWaalsContact O-N 3.16Å; I172-V176 HydrophobicContact CD1-CG2 4.48Å; I172-V176 HydrophobicContact CG1-CG2 4.07Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 2.86Å; I172-F216 HydrophobicContact CG2-CD2 4.21Å; I172-F216 HydrophobicContact CG2-CE2 3.66Å
173P95.4Very high91.6Very high25 Ų2526.7 Ų26.716%0.16216%0.163CC..Hα-helixtrans-63.4-39.8-168.125.9-34.3000113.9R116 I118 A121 Y125 Y175 V176 A177R116-P173 WeakPolarHBondContact O-CD 3.2Å; I118-P173 HydrophobicContact CD1-CB 4.14Å; I118-P173 HydrophobicContact CG1-CB 3.5Å; I118-P173 VanDerWaalsContact CG1-CB 3.5Å; I118-P173 HydrophobicContact CG1-CG 3.86Å; A121-P173 HydrophobicContact CB-CG 4.4Å; Y125-P173 HydrophobicContact CE1-CG 4.15Å; P173-Y175 VanDerWaalsContact C-N 3.31Å; P173-Y175 PolarHBondContact O-N 3.05Å; P173-V176 PolarHBondContact O-N 2.63Å; P173-A177 WeakPolarHBondContact O-CB 3.35Å; P173-A177 PolarHBondContact O-N 3.14Å
174A97.5Very high92Very high0 Ų028.3 Ų28.30%018%0.181CC..Hα-helixtrans-67.4-35.8178.300000111.6Y125 F126 V129 I172 S178Y125-A174 HydrophobicContact CD1-CB 4.21Å; Y125-A174 HydrophobicContact CE1-CB 3.53Å; Y125-A174 HydrophobicContact CE2-CB 4.21Å; Y125-A174 PolarHBondContact OH-N 2.86Å; F126-A174 HydrophobicContact CB-CB 4.32Å; F126-A174 HydrophobicContact CD2-CB 3.6Å; F126-A174 HydrophobicContact CE2-CB 4.22Å; F126-A174 HydrophobicContact CG-CB 4.2Å; V129-A174 HydrophobicContact CB-CB 3.77Å; V129-A174 HydrophobicContact CG1-CB 3.85Å; V129-A174 HydrophobicContact CG2-CB 4.35Å; I172-A174 PolarHBondContact O-N 2.87Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 3.26Å; A174-S178 PolarHBondContact O-OG 2.96Å
175Y96.7Very high92.6Very high23 Ų2330.2 Ų30.29%0.0919%0.191CC..Hα-helixtrans-65.1-47.6174-171.8-99.7000111.4V95 I96 T164 I172 P173 A177 S178 K179V95-Y175 WeakPolarHBondContact O-CD2 3.43Å; V95-Y175 WeakPolarHBondContact O-CE2 3.43Å; I96-Y175 HydrophobicContact CD1-CD1 3.75Å; I96-Y175 HydrophobicContact CD1-CD2 3.54Å; I96-Y175 HydrophobicContact CD1-CE1 4.15Å; I96-Y175 HydrophobicContact CD1-CE2 3.94Å; I96-Y175 HydrophobicContact CD1-CG 3.41Å; I96-Y175 VanDerWaalsContact CD1-CG 3.41Å; T164-Y175 HydrophobicContact CG2-CE1 4.48Å; T164-Y175 VanDerWaalsContact OG1-CE1 3.3Å; T164-Y175 WeakPolarHBondContact OG1-CE1 3.4Å; I172-Y175 HydrophobicContact CD1-CD1 3.84Å; I172-Y175 HydrophobicContact CD1-CG 4.42Å; I172-Y175 WeakPolarHBondContact O-CB 3.18Å; I172-Y175 PolarHBondContact O-N 3.44Å; I172-Y175 VanDerWaalsContact O-N 3.16Å; P173-Y175 VanDerWaalsContact C-N 3.31Å; P173-Y175 PolarHBondContact O-N 3.05Å; Y175-A177 PolarHBondContact O-N 3.34Å; Y175-S178 WeakPolarHBondContact CA-OG 3.13Å; Y175-S178 PolarHBondContact O-N 3.13Å; Y175-S178 PolarHBondContact O-OG 2.89Å; Y175-K179 HydrophobicContact CD1-CG 4.11Å; Y175-K179 HydrophobicContact CE1-CG 3.79Å; Y175-K179 HydrophobicContact CE2-CG 4.3Å; Y175-K179 HydrophobicContact CG-CG 4.49Å; Y175-K179 WeakPolarHBondContact O-CB 3.35Å; Y175-K179 WeakPolarHBondContact O-CG 3.26Å; Y175-K179 PolarHBondContact O-N 3.48Å; Y175-K179 VanDerWaalsContact OH-CE 3.31Å; Y175-K179 WeakPolarHBondContact OH-CE 3.48Å
176V96.2Very high93.5Very high19 Ų1930 Ų3012%0.11519%0.189CC..Hα-helixtrans-59.1-49.6176.8173.50000110.6A168 I172 P173 S178 K179 H180A168-V176 HydrophobicContact CB-CG1 4.15Å; I172-V176 HydrophobicContact CD1-CG2 4.48Å; I172-V176 HydrophobicContact CG1-CG2 4.07Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 2.86Å; P173-V176 PolarHBondContact O-N 2.63Å; V176-S178 PolarHBondContact O-N 2.99Å; V176-K179 PolarHBondContact O-N 3.38Å; V176-H180 PolarHBondContact O-N 3.36Å; V176-H180 PolarHBondContact O-ND1 3.4Å
177A97.7Very high94.2Very high39 Ų3932.4 Ų32.432%0.32219%0.192SC..Hα-helixtrans-59.7-47.817900000111.8F126 M130 P173 Y175 K179 H180 A181F126-A177 HydrophobicContact CE2-CB 4.29Å; M130-A177 HydrophobicContact SD-CB 4.13Å; P173-A177 WeakPolarHBondContact O-CB 3.35Å; P173-A177 PolarHBondContact O-N 3.14Å; Y175-A177 PolarHBondContact O-N 3.34Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-K179 PolarHBondContact O-N 3.27Å; A177-H180 PolarHBondContact O-N 3.39Å; A177-A181 PolarHBondContact O-N 2.85Å
178S98.1Very high95Very high0 Ų033.1 Ų33.10%020%0.203CC..Hα-helixtrans-64.4-37179.662.60000113.1M130 N133 A174 Y175 V176 A181 I182M130-S178 VanDerWaalsContact SD-CA 3.59Å; M130-S178 VanDerWaalsContact SD-CB 3.56Å; N133-S178 VanDerWaalsContact CB-CB 3.46Å; N133-S178 WeakPolarHBondContact CB-OG 3.22Å; N133-S178 PolarHBondContact ND2-OG 2.75Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 3.26Å; A174-S178 PolarHBondContact O-OG 2.96Å; Y175-S178 WeakPolarHBondContact CA-OG 3.13Å; Y175-S178 PolarHBondContact O-N 3.13Å; Y175-S178 PolarHBondContact O-OG 2.89Å; V176-S178 PolarHBondContact O-N 2.99Å; S178-A181 WeakPolarHBondContact O-CB 3.25Å; S178-A181 PolarHBondContact O-N 3.06Å; S178-I182 PolarHBondContact O-N 3.43Å; S178-I182 VanDerWaalsContact O-N 3.15Å
179K97.1Very high95.7Very high7 Ų729.8 Ų29.83%0.0318%0.176CC..Hα-helixtrans-71.9-33.2176.4-68.7-55.7-168.8178.50112.8I160 G161 A165 Y175 V176 A177 I182I160-K179 PolarHBondContact O-NZ 3.09Å; G161-K179 PolarHBondContact O-NZ 3.19Å; A165-K179 HydrophobicContact CB-CB 4.06Å; A165-K179 VanDerWaalsContact CB-O 3.23Å; A165-K179 WeakPolarHBondContact CB-O 3.32Å; Y175-K179 HydrophobicContact CD1-CG 4.11Å; Y175-K179 HydrophobicContact CE1-CG 3.79Å; Y175-K179 HydrophobicContact CE2-CG 4.3Å; Y175-K179 HydrophobicContact CG-CG 4.49Å; Y175-K179 WeakPolarHBondContact O-CB 3.35Å; Y175-K179 WeakPolarHBondContact O-CG 3.26Å; Y175-K179 PolarHBondContact O-N 3.48Å; Y175-K179 VanDerWaalsContact OH-CE 3.31Å; Y175-K179 WeakPolarHBondContact OH-CE 3.48Å; V176-K179 PolarHBondContact O-N 3.38Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-K179 PolarHBondContact O-N 3.27Å; K179-I182 HydrophobicContact CD-CD1 3.74Å; K179-I182 PolarHBondContact O-N 3.46Å
180H96.9Very high96.3Very high81 Ų8127.8 Ų27.838%0.37517%0.167SC..Hα-helixtrans-64.7-39.4168.7-77.977.2000111.9T164 A165 V176 A177 I182 S183 G184T164-H180 PolarHBondContact O-CE1 3.04Å; T164-H180 PolarHBondContact O-ND1 2.88Å; A165-H180 PolarHBondContact O-CD2 2.96Å; V176-H180 PolarHBondContact O-N 3.36Å; V176-H180 PolarHBondContact O-ND1 3.4Å; A177-H180 PolarHBondContact O-N 3.39Å; H180-I182 VanDerWaalsContact C-N 3.3Å; H180-I182 PolarHBondContact O-N 3.17Å; H180-S183 WeakPolarHBondContact O-CB 3.27Å; H180-S183 PolarHBondContact O-N 3.48Å; H180-S183 VanDerWaalsContact O-N 3.16Å; H180-G184 PolarHBondContact O-N 2.9Å
181A97.9Very high97Very high38 Ų3832.9 Ų32.931%0.31419%0.191SC..Hα-helixtrans-61-38.3176.600000112.3A134 A177 S178 S183 G184 L185A134-A181 HydrophobicContact CB-CB 3.83Å; A177-A181 PolarHBondContact O-N 2.85Å; S178-A181 WeakPolarHBondContact O-CB 3.25Å; S178-A181 PolarHBondContact O-N 3.06Å; A181-S183 VanDerWaalsContact C-N 3.31Å; A181-S183 PolarHBondContact O-N 3.44Å; A181-G184 PolarHBondContact O-N 2.87Å; A181-G184 VanDerWaalsContact O-N 3.14Å; A181-L185 WeakPolarHBondContact O-CG 3.36Å; A181-L185 PolarHBondContact O-N 3.07Å
182I97.7Very high97.5Very high1 Ų136 Ų361%0.00521%0.206CC..Hα-helixtrans-55.6-45.5173.8-70.2177.2000111.1T137 T159 S178 K179 H180 G184 L185 I186T137-I182 HydrophobicContact CG2-CG1 4.33Å; T159-I182 HydrophobicContact CG2-CD1 4.32Å; T159-I182 HydrophobicContact CG2-CG2 3.65Å; S178-I182 PolarHBondContact O-N 3.43Å; S178-I182 VanDerWaalsContact O-N 3.15Å; K179-I182 HydrophobicContact CD-CD1 3.74Å; K179-I182 PolarHBondContact O-N 3.46Å; H180-I182 VanDerWaalsContact C-N 3.3Å; H180-I182 PolarHBondContact O-N 3.17Å; I182-G184 PolarHBondContact O-N 2.84Å; I182-L185 PolarHBondContact O-N 3.33Å; I182-L185 VanDerWaalsContact O-N 3.12Å; I182-I186 HydrophobicContact CG2-CG1 3.95Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 PolarHBondContact O-N 3.31Å
183S95.9Very high97.7Very high14 Ų1438.9 Ų38.910%0.09822%0.217CC..Hα-helixtrans-56-39.2178.7-60.60000112.5H180 A181 R187H180-S183 WeakPolarHBondContact O-CB 3.27Å; H180-S183 PolarHBondContact O-N 3.48Å; H180-S183 VanDerWaalsContact O-N 3.16Å; A181-S183 VanDerWaalsContact C-N 3.31Å; A181-S183 PolarHBondContact O-N 3.44Å; S183-R187 WeakPolarHBondContact O-CG 3.42Å; S183-R187 PolarHBondContact O-N 3.13Å
184G97.4Very high97.9Very high42 Ų4240.1 Ų40.143%0.43323%0.229SC..Hα-helixtrans-67.7-47.5174.800000112.7H180 A181 I182 I186 R187 S188H180-G184 PolarHBondContact O-N 2.9Å; A181-G184 PolarHBondContact O-N 2.87Å; A181-G184 VanDerWaalsContact O-N 3.14Å; I182-G184 PolarHBondContact O-N 2.84Å; G184-I186 VanDerWaalsContact C-N 3.33Å; G184-I186 PolarHBondContact O-N 2.85Å; G184-R187 PolarHBondContact O-N 2.96Å; G184-S188 PolarHBondContact O-N 2.91Å
185L98.5Very high97.9Very high41 Ų4149.3 Ų49.322%0.21526%0.264CS..Hα-helixtrans-58.1-44.2179.2-70.4173000112.1T137 F138 L141 A181 I182 S188 A189T137-L185 HydrophobicContact CG2-CD1 4.13Å; F138-L185 HydrophobicContact CB-CD1 4.12Å; F138-L185 HydrophobicContact CB-CD2 4.33Å; F138-L185 HydrophobicContact CD2-CD2 4.05Å; L141-L185 HydrophobicContact CD1-CB 4.13Å; A181-L185 WeakPolarHBondContact O-CG 3.36Å; A181-L185 PolarHBondContact O-N 3.07Å; I182-L185 PolarHBondContact O-N 3.33Å; I182-L185 VanDerWaalsContact O-N 3.12Å; L185-S188 PolarHBondContact O-N 3.29Å; L185-A189 WeakPolarHBondContact O-CB 3.39Å; L185-A189 PolarHBondContact O-N 3.02Å
186I98.3Very high98Very high1 Ų152.6 Ų52.61%0.00528%0.277CS..Hα-helixtrans-66.2-41.2-179-63.7-54.5000111.9L141 T159 I182 G184 A190 V200L141-I186 HydrophobicContact CD1-CD1 4.24Å; T159-I186 VanDerWaalsContact CB-CD1 3.48Å; T159-I186 HydrophobicContact CG2-CD1 4.21Å; T159-I186 WeakPolarHBondContact OG1-CD1 3.1Å; I182-I186 HydrophobicContact CG2-CG1 3.95Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 PolarHBondContact O-N 3.31Å; G184-I186 VanDerWaalsContact C-N 3.33Å; G184-I186 PolarHBondContact O-N 2.85Å; I186-A190 VanDerWaalsContact O-CB 3.27Å; I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.4Å; I186-V200 HydrophobicContact CD1-CG1 3.76Å; I186-V200 HydrophobicContact CG2-CG1 4.12Å
187R98.2Very high98.1Very high139 Ų13954 Ų5453%0.52530%0.295SS..Hα-helixtrans-67.9-42.2176.5-70.1176.1-173.7162.33.9111.9S183 G184 A190 I191S183-R187 WeakPolarHBondContact O-CG 3.42Å; S183-R187 PolarHBondContact O-N 3.13Å; G184-R187 PolarHBondContact O-N 2.96Å; R187-A190 PolarHBondContact O-N 3.07Å; R187-I191 VanDerWaalsContact O-CG1 3.3Å; R187-I191 WeakPolarHBondContact O-CG1 3.35Å; R187-I191 PolarHBondContact O-N 3.23Å
188S98.6Very high98.2Very high64 Ų6452.2 Ų52.245%0.44828%0.28SS..Hα-helixtrans-58.8-50.5175.1-165.20000110.7G184 L185 A190 I191 D192G184-S188 PolarHBondContact O-N 2.91Å; L185-S188 PolarHBondContact O-N 3.29Å; S188-A190 PolarHBondContact O-N 2.84Å; S188-I191 PolarHBondContact O-N 3.49Å; S188-D192 WeakPolarHBondContact O-CB 3.1Å; S188-D192 PolarHBondContact O-N 3.39Å; S188-D192 PolarHBondContact OG-OD2 3.15Å
189A98.8Very high98.2Very high6 Ų653.5 Ų53.55%0.0529%0.285CS..Hα-helixtrans-64.7-38.1179.800000112.5L145 L185 I191 Y193 V200L145-A189 HydrophobicContact CD1-CB 4.06Å; L185-A189 WeakPolarHBondContact O-CB 3.39Å; L185-A189 PolarHBondContact O-N 3.02Å; A189-I191 VanDerWaalsContact C-N 3.34Å; A189-I191 PolarHBondContact O-N 3.34Å; A189-Y193 HydrophobicContact CB-CD2 4.42Å; A189-Y193 WeakPolarHBondContact O-CB 3.43Å; A189-Y193 VanDerWaalsContact O-CD2 3.26Å; A189-Y193 WeakPolarHBondContact O-CD2 3.46Å; A189-Y193 PolarHBondContact O-N 2.97Å; A189-Y193 VanDerWaalsContact O-N 3.13Å; A189-V200 HydrophobicContact CB-CB 4.3Å; A189-V200 HydrophobicContact CB-CG1 4.04Å; A189-V200 HydrophobicContact CB-CG2 4.04Å
190A98.8Very high98.3Very high4 Ų453.2 Ų53.23%0.03328%0.284CS..Hα-helixtrans-61-42.9175.200000112.2I186 R187 S188 A194 V200 G273I186-A190 VanDerWaalsContact O-CB 3.27Å; I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.4Å; R187-A190 PolarHBondContact O-N 3.07Å; S188-A190 PolarHBondContact O-N 2.84Å; A190-A194 VanDerWaalsContact O-CB 3.25Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.04Å; A190-A194 VanDerWaalsContact O-N 3.15Å; A190-V200 HydrophobicContact CB-CB 4.24Å; A190-G273 VanDerWaalsContact CB-N 3.33Å
191I98.7Very high98.4Very high133 Ų13349.3 Ų49.368%0.68227%0.266SS*.Hα-helixtrans-67.6-51.9179.5-68.4165.6000110.8R187 S188 A189 Y193R187-I191 VanDerWaalsContact O-CG1 3.3Å; R187-I191 WeakPolarHBondContact O-CG1 3.35Å; R187-I191 PolarHBondContact O-N 3.23Å; S188-I191 PolarHBondContact O-N 3.49Å; A189-I191 VanDerWaalsContact C-N 3.34Å; A189-I191 PolarHBondContact O-N 3.34Å; I191-Y193 VanDerWaalsContact C-N 3.27Å; I191-Y193 PolarHBondContact O-N 2.99Å
192D98.7Very high98.4Very high76 Ų7647.5 Ų47.541%0.40625%0.251SS..Hα-helixtrans-67.8-29.1-171.9-69.4-29.2000113S188 R195S188-D192 WeakPolarHBondContact O-CB 3.1Å; S188-D192 PolarHBondContact O-N 3.39Å; S188-D192 PolarHBondContact OG-OD2 3.15Å; D192-R195 PolarHBondContact O-NE 2.99Å
193Y98.8Very high98.4Very high64 Ų6447.5 Ų47.525%0.25125%0.251SS..Hα-helixtrans-112.3-4.4-170.4-61.1-93.5000115.3L145 V149 A189 I191 R195 Y196 I198L145-Y193 HydrophobicContact CB-CD1 4.14Å; L145-Y193 HydrophobicContact CB-CE1 3.72Å; L145-Y193 HydrophobicContact CB-CE2 4.47Å; L145-Y193 HydrophobicContact CD1-CD2 3.85Å; L145-Y193 HydrophobicContact CD1-CE1 4.36Å; L145-Y193 HydrophobicContact CD1-CE2 3.6Å; L145-Y193 HydrophobicContact CD1-CG 4.34Å; L145-Y193 HydrophobicContact CD2-CD1 3.91Å; L145-Y193 HydrophobicContact CD2-CD2 4.1Å; L145-Y193 HydrophobicContact CD2-CE1 4.32Å; L145-Y193 HydrophobicContact CD2-CG 3.78Å; L145-Y193 HydrophobicContact CG-CD1 4.44Å; L145-Y193 HydrophobicContact CG-CD2 4.47Å; L145-Y193 HydrophobicContact CG-CE1 4.35Å; L145-Y193 HydrophobicContact CG-CE2 4.41Å; L145-Y193 HydrophobicContact CG-CG 4.49Å; V149-Y193 HydrophobicContact CG2-CD1 3.55Å; V149-Y193 HydrophobicContact CG2-CE1 3.7Å; A189-Y193 HydrophobicContact CB-CD2 4.42Å; A189-Y193 WeakPolarHBondContact O-CB 3.43Å; A189-Y193 VanDerWaalsContact O-CD2 3.26Å; A189-Y193 WeakPolarHBondContact O-CD2 3.46Å; A189-Y193 PolarHBondContact O-N 2.97Å; A189-Y193 VanDerWaalsContact O-N 3.13Å; I191-Y193 VanDerWaalsContact C-N 3.27Å; I191-Y193 PolarHBondContact O-N 2.99Å; Y193-R195 PolarHBondContact O-N 3.31Å; Y193-Y196 AromaticContact CD1-CD2 3.84Å; Y193-Y196 HydrophobicContact CD1-CD2 3.84Å; Y193-Y196 HydrophobicContact CD1-CE2 4.08Å; Y193-Y196 HydrophobicContact CG-CD2 4.43Å; Y193-Y196 PolarHBondContact O-N 3.29Å; Y193-I198 HydrophobicContact CD1-CD1 4.36Å; Y193-I198 PolarHBondContact O-N 3.12Å
194A98.6Very high98.3Very high51 Ų5146.9 Ų46.942%0.42125%0.246SC..G310 helixtrans-54.4-36.3171.700000112.6A190 Y196 G197A190-A194 VanDerWaalsContact O-CB 3.25Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.04Å; A190-A194 VanDerWaalsContact O-N 3.15Å; A194-Y196 PolarHBondContact O-N 3.42Å; A194-Y196 VanDerWaalsContact O-N 3.12Å; A194-G197 PolarHBondContact O-N 3.46Å
195R98.4Very high98.1Very high192 Ų19245.3 Ų45.373%0.72523%0.228SC*.G310 helixtrans-60.7-18.317664.8179.3163.3163.80.2114.6D192 Y193D192-R195 PolarHBondContact O-NE 2.99Å; Y193-R195 PolarHBondContact O-N 3.31Å
196Y98.6Very high97.8Very high92 Ų9244.1 Ų44.136%0.36122%0.224SC..G310 helixtrans-98.27175.7-56.5-73.8000112.5V149 G154 Y193 A194 I198V149-Y196 HydrophobicContact CG1-CD1 4.04Å; V149-Y196 HydrophobicContact CG1-CE1 3.82Å; V149-Y196 HydrophobicContact CG1-CE2 4.45Å; V149-Y196 HydrophobicContact CG1-CG 4.45Å; V149-Y196 HydrophobicContact CG2-CD1 4.31Å; V149-Y196 HydrophobicContact CG2-CD2 3.69Å; V149-Y196 HydrophobicContact CG2-CE2 3.96Å; V149-Y196 HydrophobicContact CG2-CG 3.89Å; G154-Y196 VanDerWaalsContact CA-O 3.28Å; G154-Y196 WeakPolarHBondContact CA-O 3.46Å; Y193-Y196 AromaticContact CD1-CD2 3.84Å; Y193-Y196 HydrophobicContact CD1-CD2 3.84Å; Y193-Y196 HydrophobicContact CD1-CE2 4.08Å; Y193-Y196 HydrophobicContact CG-CD2 4.43Å; Y193-Y196 PolarHBondContact O-N 3.29Å; A194-Y196 PolarHBondContact O-N 3.42Å; A194-Y196 VanDerWaalsContact O-N 3.12Å; Y196-I198 PolarHBondContact O-N 2.93Å
197G98.4Very high97.4Very high49 Ų4945.6 Ų45.651%0.50523%0.232SC..THydrogen-bonded Turntrans69.921.8-173.500000113.3G154 G155 A194G154-G197 VanDerWaalsContact CA-O 3.24Å; G154-G197 WeakPolarHBondContact CA-O 3.42Å; G155-G197 PolarHBondContact N-O 3.2Å; A194-G197 PolarHBondContact O-N 3.46Å
198I98.9Very high97.2Very high1 Ų139.2 Ų39.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-96.5124.1177.4-58.2166.5000108.9L145 M148 V149 G155 Y193 Y196 V200L145-I198 HydrophobicContact CD2-CD1 4.2Å; L145-I198 HydrophobicContact CD2-CG2 3.82Å; M148-I198 HydrophobicContact CB-CD1 3.57Å; M148-I198 HydrophobicContact CB-CG1 4.23Å; M148-I198 HydrophobicContact SD-CG2 4.16Å; V149-I198 HydrophobicContact CG2-CD1 3.93Å; G155-I198 WeakPolarHBondContact O-CA 3.35Å; Y193-I198 HydrophobicContact CD1-CD1 4.36Å; Y193-I198 PolarHBondContact O-N 3.12Å; Y196-I198 PolarHBondContact O-N 2.93Å; I198-V200 HydrophobicContact CG2-CG2 4.17Å
199R98.8Very high96.9Very high28 Ų2840.8 Ų40.811%0.10621%0.212CC..EExtended strand (participates in β ladder)trans-97.2135.3175-58.9-176.9-59.191.71.9109.7G155 S156 I157 L263 S265 A268 T269 I271 T272G155-R199 PolarHBondContact O-N 3.32Å; S156-R199 CarbonylContact C-O 3.12Å; S156-R199 WeakPolarHBondContact CA-O 3.42Å; S156-R199 PolarHBondContact OG-NH2 3.45Å; I157-R199 PolarHBondContact N-O 3.48Å; R199-L263 PolarHBondContact NH1-O 3.46Å; R199-L263 PolarHBondContact NH2-O 2.95Å; R199-S265 PolarHBondContact NH2-O 2.9Å; R199-A268 PolarHBondContact NH1-O 3.2Å; R199-T269 WeakPolarHBondContact CD-O 3.38Å; R199-I271 WeakPolarHBondContact CD-O 3.47Å; R199-I271 PolarHBondContact NH1-O 2.92Å; R199-T272 WeakPolarHBondContact CA-OG1 3.29Å
200V98.9Very high96.7Very high0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-130.6120.5178-166.30000108.7L141 I157 I186 A189 A190 I198 T272 G273L141-V200 HydrophobicContact CD2-CG1 4.2Å; I157-V200 HydrophobicContact CB-CG1 4.18Å; I157-V200 HydrophobicContact CB-CG2 4.46Å; I157-V200 HydrophobicContact CG2-CG1 4.34Å; I157-V200 WeakPolarHBondContact O-CA 3.32Å; I186-V200 HydrophobicContact CD1-CG1 3.76Å; I186-V200 HydrophobicContact CG2-CG1 4.12Å; A189-V200 HydrophobicContact CB-CB 4.3Å; A189-V200 HydrophobicContact CB-CG1 4.04Å; A189-V200 HydrophobicContact CB-CG2 4.04Å; A190-V200 HydrophobicContact CB-CB 4.24Å; I198-V200 HydrophobicContact CG2-CG2 4.17Å; V200-T272 PolarHBondContact N-OG1 3.29Å; V200-T272 VanDerWaalsContact N-OG1 3.15Å; V200-G273 WeakPolarHBondContact O-CA 3.43Å; V200-G273 PolarHBondContact O-N 2.91Å
201N98.7Very high96.5Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-134.3165.9-177.6-64.5-68.2000111I157 V158 T159 L263 I271 T272 G273 S274I157-N201 PolarHBondContact O-N 2.93Å; V158-N201 WeakPolarHBondContact CA-O 3.43Å; T159-N201 PolarHBondContact N-O 2.95Å; N201-L263 HydrophobicContact CB-CD1 4.27Å; N201-I271 PolarHBondContact ND2-O 3.41Å; N201-T272 VanDerWaalsContact OD1-C 3.29Å; N201-T272 WeakPolarHBondContact OD1-CA 3.48Å; N201-G273 PolarHBondContact OD1-N 3.16Å; N201-S274 WeakPolarHBondContact OD1-CB 3.31Å; N201-S274 PolarHBondContact OD1-N 3.45Å; N201-S274 PolarHBondContact OD1-OG 3.39Å
202S98.1Very high96.3Very high0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-121150.6168.575.30000111.8T159 N204 S274 T275 A276T159-S202 VanDerWaalsContact O-CA 3.22Å; T159-S202 WeakPolarHBondContact O-CA 3.3Å; S202-N204 PolarHBondContact OG-OD1 3.05Å; S202-S274 PolarHBondContact N-O 3.36Å; S202-T275 PolarHBondContact OG-OG1 3.06Å; S202-A276 PolarHBondContact O-N 3.31Å
203V97.6Very high96.1Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-107.2118.7163.7-179.20000108.1V158 T159 G161 M205 V259 I260 L263 A276V158-V203 HydrophobicContact CG1-CG2 3.84Å; T159-V203 PolarHBondContact O-N 2.9Å; G161-V203 WeakPolarHBondContact CA-O 3.31Å; G161-V203 PolarHBondContact N-O 2.66Å; V203-M205 HydrophobicContact CB-CE 4.49Å; V203-M205 HydrophobicContact CG1-CE 4.02Å; V203-V259 HydrophobicContact CG1-CG1 4.29Å; V203-V259 HydrophobicContact CG2-CG1 4.04Å; V203-I260 HydrophobicContact CB-CG1 4.43Å; V203-I260 HydrophobicContact CG2-CG1 3.9Å; V203-L263 HydrophobicContact CG2-CD1 3.57Å; V203-A276 CarbonylContact C-O 3.53Å; V203-A276 WeakPolarHBondContact CA-O 3.39Å; V203-A276 HydrophobicContact CG2-CB 4.46Å
204N94.8Very high95.9Very high1 Ų139.4 Ų39.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-104.1110.1178.2-71.724.8000108.5S162 S202 T275 A276 I277 S278S162-N204 WeakPolarHBondContact O-CB 3.25Å; S162-N204 PolarHBondContact O-ND2 3.12Å; S202-N204 PolarHBondContact OG-OD1 3.05Å; N204-T275 HydrophobicContact CB-CG2 3.86Å; N204-T275 WeakPolarHBondContact ND2-CG2 3.4Å; N204-A276 PolarHBondContact N-O 2.57Å; N204-I277 WeakPolarHBondContact O-CA 3.46Å; N204-S278 PolarHBondContact O-N 2.81Å
205M92.3Very high95.7Very high10 Ų1038 Ų385%0.04919%0.187CC..  trans-115.9156.2-175.962-169.263.200110.6M20 I160 S162 S163 V203 Q256M20-M205 HydrophobicContact CE-CE 4.18Å; M20-M205 HydrophobicContact CE-SD 3.46Å; M20-M205 WeakPolarHBondContact CE-SD 3.27Å; M20-M205 HydrophobicContact SD-CE 3.51Å; M20-M205 VanDerWaalsContact SD-CE 3.51Å; M20-M205 HydrophobicContact SD-SD 3.07Å; I160-M205 HydrophobicContact CD1-CE 3.92Å; I160-M205 HydrophobicContact CG2-CE 3.72Å; I160-M205 HydrophobicContact CG2-SD 4.05Å; S162-M205 CarbonylContact C-O 3.21Å; S163-M205 PolarHBondContact N-O 3.47Å; V203-M205 HydrophobicContact CB-CE 4.49Å; V203-M205 HydrophobicContact CG1-CE 4.02Å; M205-Q256 HydrophobicContact CE-CB 4.39Å; M205-Q256 HydrophobicContact CE-CG 4.26Å; M205-Q256 HydrophobicContact SD-CG 4.43Å
206A91.8Very high95.5Very high15 Ų1529.5 Ų29.512%0.12416%0.155CC..SBendtrans-94.4-147.6165.100000110T208 D279 Y282A206-T208 PolarHBondContact O-N 3.35Å; A206-T208 PolarHBondContact O-OG1 2.99Å; A206-D279 HydrophobicContact CB-CB 3.76Å; A206-Y282 VanDerWaalsContact CB-CB 3.5Å; A206-Y282 HydrophobicContact CB-CD1 3.85Å; A206-Y282 HydrophobicContact CB-CD2 4.06Å; A206-Y282 HydrophobicContact CB-CG 3.52Å
207N90.5Very high95.2Very high32 Ų3230.2 Ų30.217%0.17116%0.157CC..  trans-54.3110.3-177.4-66.8-36.7000111.8L213 S237 F250 S251N207-L213 HydrophobicContact CB-CD2 3.97Å; N207-S237 PolarHBondContact ND2-O 3.44Å; N207-F250 HydrophobicContact CB-CB 4.5Å; N207-F250 HydrophobicContact CB-CD1 3.39Å; N207-F250 HydrophobicContact CB-CE1 3.54Å; N207-F250 HydrophobicContact CB-CG 3.92Å; N207-F250 HydrophobicContact CB-CZ 4.17Å; N207-F250 WeakPolarHBondContact O-CB 3.36Å; N207-S251 PolarHBondContact O-N 3.18Å; N207-S251 VanDerWaalsContact O-N 3.17Å
208T93.6Very high95Very high5 Ų531.7 Ų31.73%0.03115%0.151CC..BIsolated β-bridgetrans-115.1133.4171.4-56.50000109.1M20 A206 T210 L213 S251 V253 Q256M20-T208 HydrophobicContact CG-CG2 4.19Å; M20-T208 HydrophobicContact SD-CG2 3.97Å; A206-T208 PolarHBondContact O-N 3.35Å; A206-T208 PolarHBondContact O-OG1 2.99Å; T208-T210 HydrophobicContact CG2-CG2 3.97Å; T208-T210 PolarHBondContact O-N 3.13Å; T208-T210 PolarHBondContact O-OG1 2.86Å; T208-T210 VanDerWaalsContact O-OG1 3.06Å; T208-L213 WeakPolarHBondContact O-CB 3.49Å; T208-L213 WeakPolarHBondContact O-CD2 3.4Å; T208-S251 WeakPolarHBondContact CA-O 3.1Å; T208-S251 WeakPolarHBondContact CG2-O 3.23Å; T208-V253 HydrophobicContact CG2-CG1 4.21Å; T208-Q256 HydrophobicContact CG2-CG 3.9Å
209N92.7Very high94.8Very high98 Ų9831.7 Ų31.752%0.52415%0.151SC..SBendtrans-64.694.8-179.3-173.316.2000111S251N209-S251 PolarHBondContact N-O 3.2Å
210T95.4Very high94.5Very high16 Ų1630.5 Ų30.510%0.09815%0.147CC..SBendtrans-144.8164.7-173.756.20000110M20 T208 L212 L213 K214 V253M20-T210 HydrophobicContact CE-CG2 4.35Å; M20-T210 HydrophobicContact CG-CG2 4Å; M20-T210 HydrophobicContact SD-CG2 4.46Å; T208-T210 HydrophobicContact CG2-CG2 3.97Å; T208-T210 PolarHBondContact O-N 3.13Å; T208-T210 PolarHBondContact O-OG1 2.86Å; T208-T210 VanDerWaalsContact O-OG1 3.06Å; T210-L212 PolarHBondContact O-N 2.76Å; T210-L213 PolarHBondContact O-N 3.36Å; T210-L213 VanDerWaalsContact O-N 3.16Å; T210-L213 PolarHBondContact OG1-N 3.33Å; T210-K214 WeakPolarHBondContact O-CG 3.39Å; T210-K214 PolarHBondContact O-N 3.22Å; T210-V253 HydrophobicContact CG2-CG1 3.85Å
211D95.2Very high94.2Very high57 Ų5735 Ų3531%0.30517%0.169SC..Hα-helixtrans-61.2-32.8176-53.5-72.3000112.4K214 R215D211-K214 PolarHBondContact O-N 3.25Å; D211-K214 IonicContact OD1-NZ 3.38Å; D211-R215 WeakPolarHBondContact O-CB 3.14Å; D211-R215 PolarHBondContact O-N 3.2Å
212L94.6Very high94.1Very high51 Ų5138.1 Ų38.127%0.26718%0.183SC..Hα-helixtrans-61.2-45.9173.9-174.3151.3000111.6I96 T210 R215 F216I96-L212 HydrophobicContact CB-CD2 4.33Å; I96-L212 HydrophobicContact CB-CG 4.27Å; T210-L212 PolarHBondContact O-N 2.76Å; L212-R215 PolarHBondContact O-N 3.26Å; L212-F216 WeakPolarHBondContact O-CB 3.4Å; L212-F216 PolarHBondContact O-N 2.91Å
213L93.1Very high93.8Very high12 Ų1238.5 Ų38.56%0.06318%0.184CC..Hα-helixtrans-68-37.9178.7-178.860.5000112.1N207 T208 T210 F216 R217 F250N207-L213 HydrophobicContact CB-CD2 3.97Å; T208-L213 WeakPolarHBondContact O-CB 3.49Å; T208-L213 WeakPolarHBondContact O-CD2 3.4Å; T210-L213 PolarHBondContact O-N 3.36Å; T210-L213 VanDerWaalsContact O-N 3.16Å; T210-L213 PolarHBondContact OG1-N 3.33Å; L213-F216 HydrophobicContact CD1-CD1 4.35Å; L213-R217 HydrophobicContact CD1-CG 4.46Å; L213-R217 WeakPolarHBondContact O-CG 3.3Å; L213-R217 PolarHBondContact O-N 3.12Å; L213-F250 HydrophobicContact CD2-CD2 3.49Å; L213-F250 VanDerWaalsContact CD2-CD2 3.49Å; L213-F250 HydrophobicContact CD2-CE2 3.59Å; L213-F250 HydrophobicContact CD2-CG 4.09Å; L213-F250 HydrophobicContact CD2-CZ 4.26Å
214K94.6Very high93.5Very high118 Ų11844.2 Ų44.251%0.51321%0.206SC..Hα-helixtrans-61.4-48.3174.6-67.9174.6-172.9170.20110.8T210 D211 R217 E218T210-K214 WeakPolarHBondContact O-CG 3.39Å; T210-K214 PolarHBondContact O-N 3.22Å; D211-K214 PolarHBondContact O-N 3.25Å; D211-K214 IonicContact OD1-NZ 3.38Å; K214-R217 PolarHBondContact O-N 3.35Å; K214-E218 WeakPolarHBondContact O-CB 3.14Å; K214-E218 PolarHBondContact O-N 3.39Å
215R95.2Very high93.5Very high22 Ų2250.9 Ų50.98%0.08324%0.238CC..Hα-helixtrans-60-46.7177.5-178.3169.6177.484.119.1111.9D97 V99 D103 G104 V105 D211 L212 R217 E218 I219D97-R215 IonicContact OD1-CZ 3.69Å; D97-R215 IonicContact OD1-NE 3.96Å; D97-R215 PolarHBondContact OD1-NE 2.96Å; D97-R215 IonicContact OD1-NH2 3.6Å; D97-R215 IonicContact OD2-CZ 3.61Å; D97-R215 VanDerWaalsContact OD2-CZ 3.26Å; D97-R215 IonicContact OD2-NE 3.9Å; D97-R215 PolarHBondContact OD2-NE 2.83Å; D97-R215 IonicContact OD2-NH2 2.65Å; D97-R215 PolarHBondContact OD2-NH2 3.01Å; V99-R215 VanDerWaalsContact CB-NH2 3.34Å; D103-R215 PolarHBondContact O-NH1 3.43Å; G104-R215 PolarHBondContact O-NH1 2.96Å; V105-R215 HydrophobicContact CG2-CG 4.1Å; D211-R215 WeakPolarHBondContact O-CB 3.14Å; D211-R215 PolarHBondContact O-N 3.2Å; L212-R215 PolarHBondContact O-N 3.26Å; R215-R217 VanDerWaalsContact C-N 3.34Å; R215-R217 PolarHBondContact O-N 3.18Å; R215-E218 PolarHBondContact O-N 2.91Å; R215-I219 HydrophobicContact CG-CD1 3.86Å; R215-I219 WeakPolarHBondContact O-CD1 3.36Å; R215-I219 WeakPolarHBondContact O-CG1 3.13Å; R215-I219 PolarHBondContact O-N 3.16Å
216F93.5Very high93.6Very high12 Ų1255.6 Ų55.65%0.05326%0.255CS..Hα-helixtrans-55.6-48.7175.6174.3-110.5000111.9I96 F115 I172 L212 L213 I220 T233I96-F216 HydrophobicContact CD1-CD2 4.34Å; I96-F216 HydrophobicContact CG1-CB 4.37Å; I96-F216 HydrophobicContact CG1-CD2 3.9Å; I96-F216 HydrophobicContact CG1-CG 4.5Å; F115-F216 AromaticContact CE1-CD2 3.84Å; F115-F216 HydrophobicContact CE1-CD2 3.84Å; F115-F216 HydrophobicContact CE1-CE2 4.5Å; F115-F216 HydrophobicContact CE2-CD2 4.09Å; F115-F216 AromaticContact CE2-CE2 4Å; F115-F216 HydrophobicContact CE2-CE2 4Å; F115-F216 AromaticContact CZ-CD2 3.49Å; F115-F216 HydrophobicContact CZ-CD2 3.49Å; F115-F216 VanDerWaalsContact CZ-CD2 3.49Å; F115-F216 AromaticContact CZ-CE2 3.88Å; F115-F216 HydrophobicContact CZ-CE2 3.88Å; I172-F216 HydrophobicContact CG2-CD2 4.21Å; I172-F216 HydrophobicContact CG2-CE2 3.66Å; L212-F216 WeakPolarHBondContact O-CB 3.4Å; L212-F216 PolarHBondContact O-N 2.91Å; L213-F216 HydrophobicContact CD1-CD1 4.35Å; F216-I220 HydrophobicContact CD2-CG1 4.38Å; F216-I220 HydrophobicContact CE1-CG1 4.47Å; F216-I220 HydrophobicContact CE2-CD1 4.34Å; F216-I220 HydrophobicContact CE2-CG1 3.99Å; F216-I220 HydrophobicContact CZ-CG1 4.06Å; F216-I220 WeakPolarHBondContact O-CG1 3.46Å; F216-I220 PolarHBondContact O-N 3.43Å; F216-I220 VanDerWaalsContact O-N 3.13Å; F216-T233 HydrophobicContact CE2-CG2 4.2Å; F216-T233 HydrophobicContact CZ-CG2 3.58Å
217R92.2Very high93.5Very high107 Ų10763.4 Ų63.440%0.40429%0.289SS..Hα-helixtrans-65.4-42178.9-76.9-178.6152.9-148.6-15.9112.7L213 K214 R215 I219 I220 M221 F250L213-R217 HydrophobicContact CD1-CG 4.46Å; L213-R217 WeakPolarHBondContact O-CG 3.3Å; L213-R217 PolarHBondContact O-N 3.12Å; K214-R217 PolarHBondContact O-N 3.35Å; R215-R217 VanDerWaalsContact C-N 3.34Å; R215-R217 PolarHBondContact O-N 3.18Å; R217-I219 PolarHBondContact O-N 2.95Å; R217-I220 PolarHBondContact O-N 3.26Å; R217-M221 WeakPolarHBondContact O-CB 3.45Å; R217-M221 VanDerWaalsContact O-CG 3.28Å; R217-M221 WeakPolarHBondContact O-CG 3.26Å; R217-M221 PolarHBondContact O-N 2.96Å; R217-F250 VanDerWaalsContact CZ-CZ 3.43Å; R217-F250 VanDerWaalsContact NH2-CZ 3.29Å
218E95.1Very high93.5Very high81 Ų8165 Ų6538%0.37930%0.295SS..Hα-helixtrans-59.5-46.4178.5-175.4-178.9167.900111.6V105 K214 R215 M221 K222V105-E218 HydrophobicContact CB-CG 4.27Å; V105-E218 WeakPolarHBondContact CB-OE1 3.49Å; V105-E218 HydrophobicContact CG2-CB 4.35Å; V105-E218 HydrophobicContact CG2-CG 4.11Å; K214-E218 WeakPolarHBondContact O-CB 3.14Å; K214-E218 PolarHBondContact O-N 3.39Å; R215-E218 PolarHBondContact O-N 2.91Å; E218-M221 PolarHBondContact O-N 3.02Å; E218-K222 HydrophobicContact CG-CD 4.09Å; E218-K222 WeakPolarHBondContact O-CB 3.45Å; E218-K222 WeakPolarHBondContact O-CG 3.21Å; E218-K222 PolarHBondContact O-N 3.47Å; E218-K222 WeakPolarHBondContact OE1-CE 3.4Å; E218-K222 IonicContact OE1-NZ 2.91Å; E218-K222 PolarHBondContact OE1-NZ 2.84Å
219I94.6Very high93.2Very high0 Ų066 Ų660%030%0.301CS..Hα-helixtrans-62.5-45.6177.7-67.5158.4000110.9D97 V105 L107 L114 F115 R215 R217 R223D97-I219 VanDerWaalsContact OD2-CD1 3.29Å; D97-I219 WeakPolarHBondContact OD2-CD1 3.3Å; V105-I219 HydrophobicContact CB-CG1 4.41Å; V105-I219 HydrophobicContact CG1-CG1 3.59Å; V105-I219 HydrophobicContact CG2-CD1 4.33Å; V105-I219 HydrophobicContact CG2-CG1 3.86Å; L107-I219 HydrophobicContact CD2-CG2 4.24Å; L114-I219 HydrophobicContact CD2-CD1 3.73Å; L114-I219 HydrophobicContact CD2-CG1 4.27Å; F115-I219 HydrophobicContact CD1-CD1 4.44Å; F115-I219 HydrophobicContact CE1-CB 4.08Å; F115-I219 HydrophobicContact CE1-CD1 3.56Å; F115-I219 HydrophobicContact CE1-CG1 4.43Å; F115-I219 HydrophobicContact CE1-CG2 3.92Å; F115-I219 HydrophobicContact CE2-CB 4.45Å; F115-I219 HydrophobicContact CE2-CG2 3.78Å; F115-I219 HydrophobicContact CZ-CB 3.62Å; F115-I219 HydrophobicContact CZ-CD1 4.04Å; F115-I219 HydrophobicContact CZ-CG1 4.45Å; F115-I219 HydrophobicContact CZ-CG2 3.38Å; R215-I219 HydrophobicContact CG-CD1 3.86Å; R215-I219 WeakPolarHBondContact O-CD1 3.36Å; R215-I219 WeakPolarHBondContact O-CG1 3.13Å; R215-I219 PolarHBondContact O-N 3.16Å; R217-I219 PolarHBondContact O-N 2.95Å; I219-R223 WeakPolarHBondContact O-CB 3.33Å; I219-R223 PolarHBondContact O-N 3.31Å
220I92.7Very high92.8Very high4 Ų464.2 Ų64.22%0.02129%0.292CS..Hα-helixtrans-61.5-45.5178.6-69.4-66.1000111.3F115 F216 R217 R223 Y224 T233 L234F115-I220 HydrophobicContact CE2-CD1 3.65Å; F115-I220 HydrophobicContact CE2-CG1 4.05Å; F115-I220 HydrophobicContact CZ-CD1 4.31Å; F115-I220 HydrophobicContact CZ-CG1 4.21Å; F216-I220 HydrophobicContact CD2-CG1 4.38Å; F216-I220 HydrophobicContact CE1-CG1 4.47Å; F216-I220 HydrophobicContact CE2-CD1 4.34Å; F216-I220 HydrophobicContact CE2-CG1 3.99Å; F216-I220 HydrophobicContact CZ-CG1 4.06Å; F216-I220 WeakPolarHBondContact O-CG1 3.46Å; F216-I220 PolarHBondContact O-N 3.43Å; F216-I220 VanDerWaalsContact O-N 3.13Å; R217-I220 PolarHBondContact O-N 3.26Å; I220-R223 PolarHBondContact O-N 2.94Å; I220-Y224 VanDerWaalsContact O-CB 3.31Å; I220-Y224 WeakPolarHBondContact O-CB 3.02Å; I220-Y224 PolarHBondContact O-N 3.26Å; I220-T233 HydrophobicContact CD1-CG2 3.51Å; I220-T233 HydrophobicContact CG1-CG2 4.09Å; I220-L234 HydrophobicContact CG2-CD1 4.18Å; I220-L234 HydrophobicContact CG2-CD2 4.06Å; I220-L234 HydrophobicContact CG2-CG 4.13Å
221M92.5Very high92.2Very high93 Ų9368.5 Ų68.546%0.45831%0.31SS..Hα-helixtrans-65.3-47.4179.7-68.5-56.6-61.200111.9R217 E218 R223 Y224 E225R217-M221 WeakPolarHBondContact O-CB 3.45Å; R217-M221 VanDerWaalsContact O-CG 3.28Å; R217-M221 WeakPolarHBondContact O-CG 3.26Å; R217-M221 PolarHBondContact O-N 2.96Å; E218-M221 PolarHBondContact O-N 3.02Å; M221-R223 VanDerWaalsContact C-N 3.3Å; M221-R223 PolarHBondContact O-N 2.91Å; M221-Y224 PolarHBondContact O-N 3.37Å; M221-Y224 VanDerWaalsContact O-N 3.15Å; M221-E225 WeakPolarHBondContact O-CG 3.36Å; M221-E225 PolarHBondContact O-N 2.92Å
222K95Very high91.5Very high66 Ų6672.1 Ų72.129%0.28732%0.324SS..Hα-helixtrans-59.5-39.7177.7-74.2177.5164.2170.70112V105 L107 E218 R226V105-K222 HydrophobicContact CG1-CD 3.9Å; V105-K222 PolarHBondContact O-NZ 3.35Å; L107-K222 HydrophobicContact CD1-CB 3.54Å; L107-K222 HydrophobicContact CD2-CB 4.42Å; L107-K222 HydrophobicContact CG-CB 4.11Å; L107-K222 HydrophobicContact CG-CD 4.36Å; E218-K222 HydrophobicContact CG-CD 4.09Å; E218-K222 WeakPolarHBondContact O-CB 3.45Å; E218-K222 WeakPolarHBondContact O-CG 3.21Å; E218-K222 PolarHBondContact O-N 3.47Å; E218-K222 WeakPolarHBondContact OE1-CE 3.4Å; E218-K222 IonicContact OE1-NZ 2.91Å; E218-K222 PolarHBondContact OE1-NZ 2.84Å; K222-R226 WeakPolarHBondContact O-CG 3.24Å; K222-R226 PolarHBondContact O-N 3.37Å
223R93.2Very high90.6Very high8 Ų869.9 Ų69.93%0.0331%0.312CS..Hα-helixtrans-72.7-34.3176.2-79-169.7170.9162-0.3113.4L107 D111 F115 R116 I219 I220 M221 R226 Q227 E228 T229L107-R223 HydrophobicContact CD1-CG 3.81Å; L107-R223 HydrophobicContact CD2-CG 4.22Å; D111-R223 IonicContact OD1-NH2 3.12Å; D111-R223 PolarHBondContact OD1-NH2 2.88Å; F115-R223 PolarHBondContact O-NH1 3.48Å; R116-R223 VanDerWaalsContact CG-NH1 3.35Å; R116-R223 VanDerWaalsContact CZ-CZ 3.41Å; R116-R223 VanDerWaalsContact NE-NH2 3.19Å; I219-R223 WeakPolarHBondContact O-CB 3.33Å; I219-R223 PolarHBondContact O-N 3.31Å; I220-R223 PolarHBondContact O-N 2.94Å; M221-R223 VanDerWaalsContact C-N 3.3Å; M221-R223 PolarHBondContact O-N 2.91Å; R223-R226 CarbonylContact O-C 3.48Å; R223-R226 PolarHBondContact O-N 2.9Å; R223-Q227 PolarHBondContact O-N 3.15Å; R223-Q227 VanDerWaalsContact O-N 3.1Å; R223-E228 HydrophobicContact CB-CB 4.09Å; R223-E228 HydrophobicContact CG-CB 4.22Å; R223-E228 IonicContact NE-OE2 3.59Å; R223-E228 PolarHBondContact O-N 2.87Å; R223-T229 HydrophobicContact CB-CG2 3.93Å
224Y91.3Very high89.9Confident120 Ų12071.2 Ų71.247%0.47132%0.319SS..Hα-helixtrans-64.3-43175.2-178.2-99.1000111I220 M221 R226 Q227I220-Y224 VanDerWaalsContact O-CB 3.31Å; I220-Y224 WeakPolarHBondContact O-CB 3.02Å; I220-Y224 PolarHBondContact O-N 3.26Å; M221-Y224 PolarHBondContact O-N 3.37Å; M221-Y224 VanDerWaalsContact O-N 3.15Å; Y224-R226 PolarHBondContact O-N 3.04Å; Y224-Q227 PolarHBondContact O-N 3.25Å
225E93.9Very high89.2Confident141 Ų14171 Ų7166%0.65932%0.323SS*.Hα-helixtrans-59.6-34173.6-71.3168.6-176.500112.6M221 Q227M221-E225 WeakPolarHBondContact O-CG 3.36Å; M221-E225 PolarHBondContact O-N 2.92Å; E225-Q227 VanDerWaalsContact C-N 3.32Å
226R94.2Very high88.4Confident109 Ų10974 Ų7441%0.41134%0.336SS..THydrogen-bonded Turntrans-83.81.5174.3-66.6-177.7175.8-165.1-5.6114.6D108 K222 R223 Y224 E228D108-R226 IonicContact OD1-CZ 3.43Å; D108-R226 IonicContact OD1-NH1 3.92Å; D108-R226 PolarHBondContact OD1-NH1 3.42Å; D108-R226 IonicContact OD1-NH2 3.56Å; D108-R226 IonicContact OD2-CZ 2.57Å; D108-R226 IonicContact OD2-NH1 3.04Å; D108-R226 PolarHBondContact OD2-NH1 3.42Å; D108-R226 IonicContact OD2-NH2 2.8Å; D108-R226 PolarHBondContact OD2-NH2 3.38Å; K222-R226 WeakPolarHBondContact O-CG 3.24Å; K222-R226 PolarHBondContact O-N 3.37Å; R223-R226 CarbonylContact O-C 3.48Å; R223-R226 PolarHBondContact O-N 2.9Å; Y224-R226 PolarHBondContact O-N 3.04Å; R226-E228 HydrophobicContact CB-CG 3.88Å; R226-E228 WeakPolarHBondContact CD-OE1 3.33Å; R226-E228 IonicContact NH1-OE1 2.91Å; R226-E228 PolarHBondContact O-N 3.5Å
227Q91.3Very high87.6Confident179 Ų17974.5 Ų74.584%0.83634%0.342SS*.THydrogen-bonded Turntrans58.223.7-174.7-51.9176.712.600113.8R223 Y224 E225R223-Q227 PolarHBondContact O-N 3.15Å; R223-Q227 VanDerWaalsContact O-N 3.1Å; Y224-Q227 PolarHBondContact O-N 3.25Å; E225-Q227 VanDerWaalsContact C-N 3.32Å
228E89.3Confident87.1Confident67 Ų6776.1 Ų76.131%0.31335%0.349SS..SBendtrans-88.5-5.8177.7-67.2178.6-147.600112.7R116 R223 R226R116-E228 IonicContact CZ-OE2 3.49Å; R116-E228 IonicContact NH1-OE2 2.6Å; R116-E228 IonicContact NH2-OE2 2.73Å; R116-E228 PolarHBondContact NH2-OE2 2.89Å; R223-E228 HydrophobicContact CB-CB 4.09Å; R223-E228 HydrophobicContact CG-CB 4.22Å; R223-E228 IonicContact NE-OE2 3.59Å; R223-E228 PolarHBondContact O-N 2.87Å; R226-E228 HydrophobicContact CB-CG 3.88Å; R226-E228 WeakPolarHBondContact CD-OE1 3.33Å; R226-E228 IonicContact NH1-OE1 2.91Å; R226-E228 PolarHBondContact O-N 3.5Å
229T88Confident86.9Confident25 Ų2572.6 Ų72.615%0.15333%0.334CS..SBendtrans-146.3159.1177.2-154.70000111.2R223R223-T229 HydrophobicContact CB-CG2 3.93Å
230D84.8Confident86.8Confident61 Ų6176.3 Ų76.333%0.32635%0.353SS..  trans-102.5174.31785740.9000111.1K117 F232K117-D230 WeakPolarHBondContact CE-OD2 3.32Å; K117-D230 IonicContact NZ-OD2 3.33Å; K117-D230 PolarHBondContact NZ-OD2 3.4Å; D230-F232 PolarHBondContact O-N 2.99Å; D230-F232 WeakPolarHBondContact OD1-CA 3.38Å; D230-F232 WeakPolarHBondContact OD1-CB 3.29Å; D230-F232 PolarHBondContact OD1-N 3.04Å
231H81.3Confident86.9Confident105 Ų10580.9 Ų80.949%0.48638%0.377SS..G310 helixtrans-72-3177.5-162.6-92.4000113T233 L234 L235H231-T233 PolarHBondContact O-N 2.81Å; H231-L234 PolarHBondContact O-N 3.34Å; H231-L235 PolarHBondContact O-N 3.46Å
232F80.8Confident86.8Confident133 Ų13376.7 Ų76.758%0.58336%0.356SS*.G310 helixtrans-61.4-34.2-172.9-159.1-89.8000111.7D230 L234 L235D230-F232 PolarHBondContact O-N 2.99Å; D230-F232 WeakPolarHBondContact OD1-CA 3.38Å; D230-F232 WeakPolarHBondContact OD1-CB 3.29Å; D230-F232 PolarHBondContact OD1-N 3.04Å; F232-L234 PolarHBondContact O-N 2.97Å; F232-L235 HydrophobicContact CB-CD1 4.26Å; F232-L235 HydrophobicContact CD1-CD1 4.31Å; F232-L235 HydrophobicContact CD2-CD1 3.3Å; F232-L235 HydrophobicContact CE2-CD1 3.56Å; F232-L235 HydrophobicContact CG-CD1 3.71Å; F232-L235 HydrophobicContact CZ-CD1 4.18Å; F232-L235 PolarHBondContact O-N 3.16Å
233T75.6Confident86.4Confident5 Ų578.7 Ų78.73%0.03137%0.37CS..G310 helixtrans-65.3-18.2177.1-49.10000113.9F216 I220 H231F216-T233 HydrophobicContact CE2-CG2 4.2Å; F216-T233 HydrophobicContact CZ-CG2 3.58Å; I220-T233 HydrophobicContact CD1-CG2 3.51Å; I220-T233 HydrophobicContact CG1-CG2 4.09Å; H231-T233 PolarHBondContact O-N 2.81Å
234L78.1Confident86.2Confident39 Ų3982.4 Ų82.420%0.20440%0.402CS..G310 helixtrans-106.6-3.4-177.6-60.7178.7000113.9I220 H231 F232 K236I220-L234 HydrophobicContact CG2-CD1 4.18Å; I220-L234 HydrophobicContact CG2-CD2 4.06Å; I220-L234 HydrophobicContact CG2-CG 4.13Å; H231-L234 PolarHBondContact O-N 3.34Å; F232-L234 PolarHBondContact O-N 2.97Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 3.36Å
235L79.6Confident86.1Confident113 Ų11378.1 Ų78.159%0.59239%0.387SS*.SBendtrans-55.7-40.9-172.9-76.2172.5000114.1H231 F232H231-L235 PolarHBondContact O-N 3.46Å; F232-L235 HydrophobicContact CB-CD1 4.26Å; F232-L235 HydrophobicContact CD1-CD1 4.31Å; F232-L235 HydrophobicContact CD2-CD1 3.3Å; F232-L235 HydrophobicContact CE2-CD1 3.56Å; F232-L235 HydrophobicContact CG-CD1 3.71Å; F232-L235 HydrophobicContact CZ-CD1 4.18Å; F232-L235 PolarHBondContact O-N 3.16Å
236K79.3Confident85.9Confident85 Ų8577.1 Ų77.137%0.3740%0.396SS..SBendtrans-116.689.7175.6-169.5-178.6-175.51750109.9L234 Y282 Y285L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 3.36Å; K236-Y282 HydrophobicContact CD-CE1 4.28Å; K236-Y282 HydrophobicContact CD-CE2 4.35Å; K236-Y282 WeakPolarHBondContact CE-O 3.13Å; K236-Y282 HydrophobicContact CG-CE2 3.9Å; K236-Y282 PolarHBondContact NZ-O 2.96Å; K236-Y282 WeakPolarHBondContact O-CE2 3.28Å; K236-Y282 PolarHBondContact O-OH 3.12Å; K236-Y285 PolarHBondContact NZ-O 2.8Å
237S75.8Confident85.7Confident24 Ų2479.3 Ų79.317%0.16841%0.411CS..  trans-113-15.5-179.456.60000114.5N207N207-S237 PolarHBondContact ND2-O 3.44Å
238Y83.6Confident85.7Confident140 Ų14075.1 Ų75.155%0.54939%0.39SS..  trans-100.7140.6-177.7-62.8-68.3000112.3Q242Y238-Q242 VanDerWaalsContact CD1-CD 3.45Å; Y238-Q242 HydrophobicContact CD1-CG 3.85Å
239S90.4Very high85.8Confident8 Ų875.6 Ų75.66%0.05639%0.389CS..  trans-96.6161.9167.463.50000110.6L241 Q242 D243 D279 R280S239-L241 PolarHBondContact O-N 2.91Å; S239-Q242 WeakPolarHBondContact O-CA 3.48Å; S239-Q242 VanDerWaalsContact O-CB 3.31Å; S239-Q242 WeakPolarHBondContact O-CB 3.26Å; S239-Q242 PolarHBondContact O-N 3.04Å; S239-Q242 WeakPolarHBondContact OG-CB 3.2Å; S239-Q242 PolarHBondContact OG-N 3.3Å; S239-D243 PolarHBondContact O-N 3.46Å; S239-D243 VanDerWaalsContact O-N 3.15Å; S239-D279 WeakPolarHBondContact CB-O 3.23Å; S239-R280 WeakPolarHBondContact CB-O 3.45Å; S239-R280 WeakPolarHBondContact OG-CB 3.38Å
240L92.1Very high86Confident78 Ų7875.8 Ų75.841%0.40839%0.388SS..Hα-helixtrans-54.7-50178.9-74176.7000113Q242 D243 A244 R280 A284 Y285L240-Q242 PolarHBondContact O-N 2.81Å; L240-D243 PolarHBondContact O-N 3.49Å; L240-D243 VanDerWaalsContact O-N 3.1Å; L240-A244 PolarHBondContact O-N 2.91Å; L240-R280 PolarHBondContact N-O 3.12Å; L240-A284 HydrophobicContact CD1-CB 3.82Å; L240-Y285 HydrophobicContact CD1-CD1 4.25Å; L240-Y285 HydrophobicContact CD1-CE1 3.91Å; L240-Y285 HydrophobicContact CD2-CD1 4.41Å; L240-Y285 HydrophobicContact CD2-CE1 3.38Å; L240-Y285 HydrophobicContact CG-CD1 4.45Å; L240-Y285 HydrophobicContact CG-CE1 3.64Å
241L94Very high86.5Confident99 Ų9973 Ų7352%0.51837%0.373SS..Hα-helixtrans-73.9-13.8179.3-56.3179.5000112.4S239 D245 R280S239-L241 PolarHBondContact O-N 2.91Å; L241-D245 WeakPolarHBondContact O-CB 3.43Å; L241-D245 PolarHBondContact O-N 2.89Å; L241-R280 HydrophobicContact CB-CB 3.99Å; L241-R280 HydrophobicContact CB-CG 4.43Å; L241-R280 HydrophobicContact CD1-CB 4.4Å; L241-R280 HydrophobicContact CG-CB 4.45Å; L241-R280 PolarHBondContact N-O 3.29Å; L241-R280 PolarHBondContact O-NH2 3.38Å
242Q90.5Very high87.1Confident5 Ų570.2 Ų70.22%0.02336%0.364CS..Hα-helixtrans-74.2-32.5169.5-174.4171.510.600111Y238 S239 L240 D245 K248 R249 F250Y238-Q242 VanDerWaalsContact CD1-CD 3.45Å; Y238-Q242 HydrophobicContact CD1-CG 3.85Å; S239-Q242 WeakPolarHBondContact O-CA 3.48Å; S239-Q242 VanDerWaalsContact O-CB 3.31Å; S239-Q242 WeakPolarHBondContact O-CB 3.26Å; S239-Q242 PolarHBondContact O-N 3.04Å; S239-Q242 WeakPolarHBondContact OG-CB 3.2Å; S239-Q242 PolarHBondContact OG-N 3.3Å; L240-Q242 PolarHBondContact O-N 2.81Å; Q242-D245 PolarHBondContact O-N 3.26Å; Q242-K248 HydrophobicContact CG-CB 4.28Å; Q242-K248 WeakPolarHBondContact CG-O 2.99Å; Q242-K248 PolarHBondContact NE2-O 3.27Å; Q242-K248 WeakPolarHBondContact O-CD 3.46Å; Q242-R249 WeakPolarHBondContact CG-O 3.29Å; Q242-F250 VanDerWaalsContact NE2-CD1 3.33Å
243D87.9Confident87.9Confident109 Ų10965 Ų6558%0.58334%0.343SS*.Hα-helixtrans-68.9-38.2173.8-171.255.8000112.4S239 L240 D245 K248S239-D243 PolarHBondContact O-N 3.46Å; S239-D243 VanDerWaalsContact O-N 3.15Å; L240-D243 PolarHBondContact O-N 3.49Å; L240-D243 VanDerWaalsContact O-N 3.1Å; D243-D245 PolarHBondContact O-N 2.94Å; D243-K248 PolarHBondContact O-NZ 3.05Å; D243-K248 IonicContact OD1-NZ 3.56Å; D243-K248 PolarHBondContact OD1-NZ 2.91Å
244A87.5Confident89Confident86 Ų8670.3 Ų70.371%0.71136%0.362SS*.SBendtrans-71.1-13.917500000114.2L240L240-A244 PolarHBondContact O-N 2.91Å
245D89.4Confident89.8Confident29 Ų2971.5 Ų71.516%0.15537%0.367CS..SBendtrans-87.2124.9-177.7-167.3-55.4000110.8L241 Q242 D243 Q247 K248 R249 R280L241-D245 WeakPolarHBondContact O-CB 3.43Å; L241-D245 PolarHBondContact O-N 2.89Å; Q242-D245 PolarHBondContact O-N 3.26Å; D243-D245 PolarHBondContact O-N 2.94Å; D245-Q247 PolarHBondContact O-N 3.46Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.45Å; D245-Q247 PolarHBondContact OD1-N 3.35Å; D245-K248 WeakPolarHBondContact O-CA 3.49Å; D245-K248 WeakPolarHBondContact O-CD 2.92Å; D245-K248 PolarHBondContact O-N 2.86Å; D245-K248 PolarHBondContact OD1-N 3.4Å; D245-R249 WeakPolarHBondContact OD2-CD 3.35Å; D245-R249 VanDerWaalsContact OD2-CG 3.22Å; D245-R249 WeakPolarHBondContact OD2-CG 3.16Å; D245-R249 IonicContact OD2-CZ 3.57Å; D245-R249 IonicContact OD2-NE 2.97Å; D245-R249 PolarHBondContact OD2-NE 2.91Å; D245-R280 IonicContact OD2-NH2 3.35Å; D245-R280 PolarHBondContact OD2-NH2 3.24Å
246S89.9Confident90.7Very high121 Ų12166.1 Ų66.185%0.84634%0.339SS*.THydrogen-bonded Turntrans-62.3-27-178.559.80000113.5K248S246-K248 VanDerWaalsContact C-N 3.35Å
247Q91.4Very high91.6Very high155 Ų15562.1 Ų62.172%0.72432%0.321SS*.THydrogen-bonded Turntrans-90.5-2.9175.6-61.6-174.7-16.200112.4D245 R249D245-Q247 PolarHBondContact O-N 3.46Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.45Å; D245-Q247 PolarHBondContact OD1-N 3.35Å; Q247-R249 HydrophobicContact CB-CB 4.46Å; Q247-R249 PolarHBondContact O-N 2.92Å
248K90.5Very high92.7Very high90 Ų9062.6 Ų62.639%0.39133%0.326SS..  trans46.738.2-173.9-54.5-67.7-174.9-178.80111.5Q242 D243 D245 S246Q242-K248 HydrophobicContact CG-CB 4.28Å; Q242-K248 WeakPolarHBondContact CG-O 2.99Å; Q242-K248 PolarHBondContact NE2-O 3.27Å; Q242-K248 WeakPolarHBondContact O-CD 3.46Å; D243-K248 PolarHBondContact O-NZ 3.05Å; D243-K248 IonicContact OD1-NZ 3.56Å; D243-K248 PolarHBondContact OD1-NZ 2.91Å; D245-K248 WeakPolarHBondContact O-CA 3.49Å; D245-K248 WeakPolarHBondContact O-CD 2.92Å; D245-K248 PolarHBondContact O-N 2.86Å; D245-K248 PolarHBondContact OD1-N 3.4Å; S246-K248 VanDerWaalsContact C-N 3.35Å
249R92.1Very high93.4Very high77 Ų7757.9 Ų57.929%0.29131%0.312SS..PPolyproline II helixtrans-73.6156.7-174.171.3-180179.186.4-9.2112.1Q242 D245 Q247 E255Q242-R249 WeakPolarHBondContact CG-O 3.29Å; D245-R249 WeakPolarHBondContact OD2-CD 3.35Å; D245-R249 VanDerWaalsContact OD2-CG 3.22Å; D245-R249 WeakPolarHBondContact OD2-CG 3.16Å; D245-R249 IonicContact OD2-CZ 3.57Å; D245-R249 IonicContact OD2-NE 2.97Å; D245-R249 PolarHBondContact OD2-NE 2.91Å; Q247-R249 HydrophobicContact CB-CB 4.46Å; Q247-R249 PolarHBondContact O-N 2.92Å; R249-E255 IonicContact CZ-OE1 3.6Å; R249-E255 IonicContact CZ-OE2 2.72Å; R249-E255 IonicContact NH1-OE1 3.03Å; R249-E255 PolarHBondContact NH1-OE1 3.13Å; R249-E255 VanDerWaalsContact NH1-OE1 3.12Å; R249-E255 IonicContact NH1-OE2 3.26Å; R249-E255 PolarHBondContact NH1-OE2 2.72Å; R249-E255 IonicContact NH2-OE1 3.79Å; R249-E255 PolarHBondContact NH2-OE1 3.33Å; R249-E255 IonicContact NH2-OE2 3.77Å
250F91.7Very high93.7Very high29 Ų2957.5 Ų57.513%0.12731%0.309CS..PPolyproline II helixtrans-75.5170.4165.8-65.2-44.2000112.6N207 L213 R217 Q242 T252N207-F250 HydrophobicContact CB-CB 4.5Å; N207-F250 HydrophobicContact CB-CD1 3.39Å; N207-F250 HydrophobicContact CB-CE1 3.54Å; N207-F250 HydrophobicContact CB-CG 3.92Å; N207-F250 HydrophobicContact CB-CZ 4.17Å; N207-F250 WeakPolarHBondContact O-CB 3.36Å; L213-F250 HydrophobicContact CD2-CD2 3.49Å; L213-F250 VanDerWaalsContact CD2-CD2 3.49Å; L213-F250 HydrophobicContact CD2-CE2 3.59Å; L213-F250 HydrophobicContact CD2-CG 4.09Å; L213-F250 HydrophobicContact CD2-CZ 4.26Å; R217-F250 VanDerWaalsContact CZ-CZ 3.43Å; R217-F250 VanDerWaalsContact NH2-CZ 3.29Å; Q242-F250 VanDerWaalsContact NE2-CD1 3.33Å; F250-T252 PolarHBondContact O-N 2.82Å
251S94Very high94.1Very high3 Ų353.8 Ų53.82%0.02129%0.29CS..BIsolated β-bridgetrans-56.1140.1166.9-64.90000110.2N207 T208 N209 E255 R280N207-S251 PolarHBondContact O-N 3.18Å; N207-S251 VanDerWaalsContact O-N 3.17Å; T208-S251 WeakPolarHBondContact CA-O 3.1Å; T208-S251 WeakPolarHBondContact CG2-O 3.23Å; N209-S251 PolarHBondContact N-O 3.2Å; S251-E255 WeakPolarHBondContact CA-OE2 3.28Å; S251-R280 WeakPolarHBondContact OG-CD 3.41Å; S251-R280 WeakPolarHBondContact OG-CG 3.42Å
252T95.7Very high94.3Very high47 Ų4752.9 Ų52.929%0.28828%0.282SS..PPolyproline II helixtrans-84.3155.3170.166.70000110F250 W254 E255 Q256F250-T252 PolarHBondContact O-N 2.82Å; T252-W254 PolarHBondContact O-N 3.11Å; T252-E255 PolarHBondContact N-OE2 3.31Å; T252-E255 PolarHBondContact O-N 2.75Å; T252-E255 VanDerWaalsContact OG1-CG 3.31Å; T252-E255 WeakPolarHBondContact OG1-CG 3.34Å; T252-E255 PolarHBondContact OG1-N 3.5Å; T252-E255 VanDerWaalsContact OG1-N 3.13Å; T252-E255 PolarHBondContact OG1-OE2 3.33Å; T252-Q256 PolarHBondContact O-N 2.9Å
253V97.2Very high94.7Very high23 Ų2352.8 Ų52.814%0.13928%0.282CS..Hα-helixtrans-60.4-26.6171.8-64.30000112.6M20 A23 T208 T210 Q256 A257M20-V253 HydrophobicContact CG-CB 4.34Å; M20-V253 HydrophobicContact CG-CG1 3.96Å; A23-V253 HydrophobicContact CB-CB 3.62Å; A23-V253 HydrophobicContact CB-CG2 3.54Å; T208-V253 HydrophobicContact CG2-CG1 4.21Å; T210-V253 HydrophobicContact CG2-CG1 3.85Å; V253-Q256 PolarHBondContact O-N 3.4Å; V253-A257 WeakPolarHBondContact O-CB 3.38Å; V253-A257 PolarHBondContact O-N 3.06Å
254W97.5Very high95.2Very high117 Ų11747.7 Ų47.744%0.44326%0.255SS..Hα-helixtrans-77.4-35.1-179.1-55.1116.3000113.3A23 I26 R27 T252 Q256 A257 A258A23-W254 HydrophobicContact CB-CD2 4.38Å; A23-W254 HydrophobicContact CB-CE3 3.93Å; A23-W254 HydrophobicContact CB-CH2 4.14Å; A23-W254 HydrophobicContact CB-CZ3 3.81Å; A23-W254 VanDerWaalsContact O-CZ3 3.3Å; A23-W254 WeakPolarHBondContact O-CZ3 3.46Å; I26-W254 HydrophobicContact CB-CH2 4.49Å; I26-W254 HydrophobicContact CG2-CH2 4.27Å; R27-W254 HydrophobicContact CB-CZ3 4.41Å; T252-W254 PolarHBondContact O-N 3.11Å; W254-Q256 VanDerWaalsContact C-N 3.31Å; W254-A257 PolarHBondContact O-N 2.94Å; W254-A258 PolarHBondContact O-N 3.31Å; W254-A258 VanDerWaalsContact O-N 3.09Å
255E96.7Very high95.7Very high63 Ų6343.6 Ų43.629%0.29422%0.221SC..Hα-helixtrans-60.9-43.7169.7-74.7162.7144.500109.9R249 S251 T252 A258 R280R249-E255 IonicContact CZ-OE1 3.6Å; R249-E255 IonicContact CZ-OE2 2.72Å; R249-E255 IonicContact NH1-OE1 3.03Å; R249-E255 PolarHBondContact NH1-OE1 3.13Å; R249-E255 VanDerWaalsContact NH1-OE1 3.12Å; R249-E255 IonicContact NH1-OE2 3.26Å; R249-E255 PolarHBondContact NH1-OE2 2.72Å; R249-E255 IonicContact NH2-OE1 3.79Å; R249-E255 PolarHBondContact NH2-OE1 3.33Å; R249-E255 IonicContact NH2-OE2 3.77Å; S251-E255 WeakPolarHBondContact CA-OE2 3.28Å; T252-E255 PolarHBondContact N-OE2 3.31Å; T252-E255 PolarHBondContact O-N 2.75Å; T252-E255 VanDerWaalsContact OG1-CG 3.31Å; T252-E255 WeakPolarHBondContact OG1-CG 3.34Å; T252-E255 PolarHBondContact OG1-N 3.5Å; T252-E255 VanDerWaalsContact OG1-N 3.13Å; T252-E255 PolarHBondContact OG1-OE2 3.33Å; E255-A258 WeakPolarHBondContact O-CB 3.38Å; E255-A258 PolarHBondContact O-N 3.41Å; E255-R280 IonicContact OE1-NH1 2.81Å; E255-R280 PolarHBondContact OE1-NH1 3.1Å
256Q97.6Very high96Very high1 Ų146.9 Ų46.91%0.00524%0.238CC..Hα-helixtrans-68.3-43.7177.4-58.8-54.6-31.600112.4M20 M205 T208 T252 V253 W254 A258 V259 I260 S278M20-Q256 HydrophobicContact CG-CB 4.47Å; M20-Q256 HydrophobicContact SD-CB 4.24Å; M20-Q256 HydrophobicContact SD-CG 4.19Å; M205-Q256 HydrophobicContact CE-CB 4.39Å; M205-Q256 HydrophobicContact CE-CG 4.26Å; M205-Q256 HydrophobicContact SD-CG 4.43Å; T208-Q256 HydrophobicContact CG2-CG 3.9Å; T252-Q256 PolarHBondContact O-N 2.9Å; V253-Q256 PolarHBondContact O-N 3.4Å; W254-Q256 VanDerWaalsContact C-N 3.31Å; Q256-A258 PolarHBondContact O-N 2.9Å; Q256-V259 PolarHBondContact O-N 3.14Å; Q256-V259 VanDerWaalsContact O-N 3.16Å; Q256-I260 HydrophobicContact CB-CD1 4.44Å; Q256-I260 WeakPolarHBondContact O-CD1 3.43Å; Q256-I260 VanDerWaalsContact O-CG1 3.27Å; Q256-I260 WeakPolarHBondContact O-CG1 3.47Å; Q256-I260 PolarHBondContact O-N 3.48Å; Q256-S278 PolarHBondContact NE2-O 3.2Å; Q256-S278 PolarHBondContact NE2-OG 3.03Å; Q256-S278 VanDerWaalsContact OE1-CB 3.3Å; Q256-S278 PolarHBondContact OE1-O 2.87Å; Q256-S278 PolarHBondContact OE1-OG 2.97Å
257A98.2Very high96.4Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-57.6-32.4175.800000112.4V253 W254 L261V253-A257 WeakPolarHBondContact O-CB 3.38Å; V253-A257 PolarHBondContact O-N 3.06Å; W254-A257 PolarHBondContact O-N 2.94Å; A257-L261 WeakPolarHBondContact O-CB 3.12Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.38Å; A257-L261 PolarHBondContact O-N 3.4Å
258A97.9Very high96.7Very high34 Ų3439 Ų3928%0.28119%0.192SC..Hα-helixtrans-62.2-48.9175.900000112.4W254 E255 Q256 F262W254-A258 PolarHBondContact O-N 3.31Å; W254-A258 VanDerWaalsContact O-N 3.09Å; E255-A258 WeakPolarHBondContact O-CB 3.38Å; E255-A258 PolarHBondContact O-N 3.41Å; Q256-A258 PolarHBondContact O-N 2.9Å; A258-F262 WeakPolarHBondContact O-CB 3.39Å; A258-F262 PolarHBondContact O-N 3.43Å
259V98.1Very high97.1Very high41 Ų4139.4 Ų39.425%0.24820%0.202CC..Hα-helixtrans-67.1-42.9179.8-179.90000110.8V203 Q256 L261 F262 L263 A276V203-V259 HydrophobicContact CG1-CG1 4.29Å; V203-V259 HydrophobicContact CG2-CG1 4.04Å; Q256-V259 PolarHBondContact O-N 3.14Å; Q256-V259 VanDerWaalsContact O-N 3.16Å; V259-L261 PolarHBondContact O-N 2.79Å; V259-F262 PolarHBondContact O-N 3.11Å; V259-L263 HydrophobicContact CG1-CD1 4.45Å; V259-L263 WeakPolarHBondContact O-CG 3.14Å; V259-L263 PolarHBondContact O-N 3.35Å; V259-A276 HydrophobicContact CG1-CB 4.27Å
260I98.6Very high97.3Very high0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-59.4-50177.6-65.7159.3000110.4T24 L90 V158 I160 V203 Q256 F262 L263 L264T24-I260 HydrophobicContact CG2-CB 4.43Å; T24-I260 HydrophobicContact CG2-CG2 3.84Å; L90-I260 HydrophobicContact CD1-CD1 4.46Å; L90-I260 HydrophobicContact CD1-CG2 3.72Å; L90-I260 HydrophobicContact CD2-CG2 4.13Å; L90-I260 HydrophobicContact CG-CG2 4.44Å; V158-I260 HydrophobicContact CB-CG2 4.29Å; V158-I260 HydrophobicContact CG1-CG1 4.31Å; V158-I260 HydrophobicContact CG1-CG2 4.01Å; I160-I260 HydrophobicContact CD1-CD1 3.55Å; I160-I260 HydrophobicContact CD1-CG1 4.04Å; V203-I260 HydrophobicContact CB-CG1 4.43Å; V203-I260 HydrophobicContact CG2-CG1 3.9Å; Q256-I260 HydrophobicContact CB-CD1 4.44Å; Q256-I260 WeakPolarHBondContact O-CD1 3.43Å; Q256-I260 VanDerWaalsContact O-CG1 3.27Å; Q256-I260 WeakPolarHBondContact O-CG1 3.47Å; Q256-I260 PolarHBondContact O-N 3.48Å; I260-F262 PolarHBondContact O-N 3.09Å; I260-L263 PolarHBondContact O-N 2.6Å; I260-L264 HydrophobicContact CG2-CD1 3.89Å; I260-L264 HydrophobicContact CG2-CG 4.41Å; I260-L264 WeakPolarHBondContact O-CG 3.41Å; I260-L264 PolarHBondContact O-N 3.3Å
261L98.7Very high97.6Very high0 Ų041.8 Ų41.80%024%0.236CC..Hα-helixtrans-69.9-32.3-178.1-67.7170.4000112.7F6 T24 R27 A28 A257 V259 L264 S265F6-L261 HydrophobicContact CE2-CB 4.15Å; F6-L261 HydrophobicContact CE2-CD2 3.71Å; F6-L261 HydrophobicContact CE2-CG 4.33Å; F6-L261 HydrophobicContact CZ-CB 4.03Å; F6-L261 HydrophobicContact CZ-CD2 3.91Å; T24-L261 HydrophobicContact CG2-CD1 4.49Å; T24-L261 HydrophobicContact CG2-CD2 3.78Å; T24-L261 HydrophobicContact CG2-CG 3.94Å; R27-L261 HydrophobicContact CB-CD1 3.84Å; R27-L261 VanDerWaalsContact CD-CD1 3.5Å; R27-L261 HydrophobicContact CG-CD1 3.46Å; R27-L261 VanDerWaalsContact CG-CD1 3.46Å; A28-L261 HydrophobicContact CB-CD2 3.8Å; A257-L261 WeakPolarHBondContact O-CB 3.12Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.38Å; A257-L261 PolarHBondContact O-N 3.4Å; V259-L261 PolarHBondContact O-N 2.79Å; L261-L264 HydrophobicContact CD2-CD1 4.2Å; L261-L264 PolarHBondContact O-N 2.91Å; L261-S265 VanDerWaalsContact O-CB 3.27Å; L261-S265 WeakPolarHBondContact O-CB 3.25Å; L261-S265 PolarHBondContact O-N 3.29Å; L261-S265 PolarHBondContact O-OG 2.98Å
262F98.4Very high97.9Very high80 Ų8044.6 Ų44.635%0.35125%0.253SS..Hα-helixtrans-56.2-52.5168.3165.6-105000110.8A258 V259 I260 L264 S265 D267 A268 I271A258-F262 WeakPolarHBondContact O-CB 3.39Å; A258-F262 PolarHBondContact O-N 3.43Å; V259-F262 PolarHBondContact O-N 3.11Å; I260-F262 PolarHBondContact O-N 3.09Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 3.16Å; F262-S265 PolarHBondContact O-N 3.31Å; F262-S265 PolarHBondContact O-OG 2.73Å; F262-D267 HydrophobicContact CD2-CB 3.79Å; F262-D267 HydrophobicContact CE2-CB 3.71Å; F262-A268 HydrophobicContact CD1-CB 4.49Å; F262-A268 HydrophobicContact CE1-CB 4.14Å; F262-A268 HydrophobicContact CE2-CB 4.36Å; F262-A268 HydrophobicContact CZ-CB 4.07Å; F262-A268 VanDerWaalsContact O-CB 3.26Å; F262-A268 WeakPolarHBondContact O-CB 3.33Å; F262-I271 HydrophobicContact CE1-CD1 3.8Å; F262-I271 HydrophobicContact CZ-CD1 3.9Å
263L98.6Very high98Very high4 Ų443.5 Ų43.52%0.02125%0.251CS..Hα-helixtrans-63.4-29.8179.7-70.3175.4000113.6S156 V158 R199 N201 V203 V259 I260 A268 I271 A276S156-L263 PolarHBondContact OG-O 2.84Å; S156-L263 VanDerWaalsContact OG-O 3.13Å; V158-L263 HydrophobicContact CG2-CB 3.57Å; V158-L263 HydrophobicContact CG2-CD1 4.35Å; R199-L263 PolarHBondContact NH1-O 3.46Å; R199-L263 PolarHBondContact NH2-O 2.95Å; N201-L263 HydrophobicContact CB-CD1 4.27Å; V203-L263 HydrophobicContact CG2-CD1 3.57Å; V259-L263 HydrophobicContact CG1-CD1 4.45Å; V259-L263 WeakPolarHBondContact O-CG 3.14Å; V259-L263 PolarHBondContact O-N 3.35Å; I260-L263 PolarHBondContact O-N 2.6Å; L263-A268 HydrophobicContact CD2-CB 4.43Å; L263-I271 HydrophobicContact CD2-CD1 4.37Å; L263-I271 HydrophobicContact CD2-CG2 3.88Å; L263-A276 HydrophobicContact CD1-CB 3.82Å
264L98.7Very high97.9Very high2 Ų244 Ų441%0.0126%0.256CS..Hα-helixtrans-76.1-26.1174.8-70.4173.9000113.5F6 L11 M88 S156 V158 I260 L261 F262F6-L264 HydrophobicContact CE1-CB 4.46Å; L11-L264 HydrophobicContact CD1-CD1 3.83Å; L11-L264 HydrophobicContact CD2-CD1 4.46Å; M88-L264 HydrophobicContact CB-CD2 4.15Å; M88-L264 HydrophobicContact SD-CB 3.9Å; S156-L264 VanDerWaalsContact O-CD2 3.25Å; S156-L264 WeakPolarHBondContact O-CD2 3.3Å; S156-L264 WeakPolarHBondContact OG-CA 3.5Å; V158-L264 HydrophobicContact CB-CD2 4.05Å; V158-L264 HydrophobicContact CB-CG 4.29Å; V158-L264 HydrophobicContact CG2-CD2 3.66Å; V158-L264 HydrophobicContact CG2-CG 3.78Å; I260-L264 HydrophobicContact CG2-CD1 3.89Å; I260-L264 HydrophobicContact CG2-CG 4.41Å; I260-L264 WeakPolarHBondContact O-CG 3.41Å; I260-L264 PolarHBondContact O-N 3.3Å; L261-L264 HydrophobicContact CD2-CD1 4.2Å; L261-L264 PolarHBondContact O-N 2.91Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 3.16Å
265S98.4Very high97.8Very high0 Ų040.3 Ų40.30%025%0.246CC..SBendtrans-81.9173.4-174.774.20000114.1R199 L261 F262 D267 A268R199-S265 PolarHBondContact NH2-O 2.9Å; L261-S265 VanDerWaalsContact O-CB 3.27Å; L261-S265 WeakPolarHBondContact O-CB 3.25Å; L261-S265 PolarHBondContact O-N 3.29Å; L261-S265 PolarHBondContact O-OG 2.98Å; F262-S265 PolarHBondContact O-N 3.31Å; F262-S265 PolarHBondContact O-OG 2.73Å; S265-D267 PolarHBondContact O-N 3.15Å; S265-D267 WeakPolarHBondContact OG-CB 3.33Å; S265-D267 PolarHBondContact OG-N 2.9Å; S265-D267 PolarHBondContact OG-OD2 3.45Å; S265-A268 PolarHBondContact O-N 3.01Å
266D97.1Very high97.7Very high98 Ų9838.5 Ų38.552%0.52424%0.241SC..G310 helixtrans-73.7-10.6176.6-58.8-23.7000112.3K9 A268 T269K9-D266 IonicContact NZ-OD1 3.26Å; K9-D266 PolarHBondContact NZ-OD1 3.32Å; K9-D266 IonicContact NZ-OD2 2.73Å; K9-D266 PolarHBondContact NZ-OD2 2.96Å; D266-A268 PolarHBondContact O-N 3.25Å; D266-T269 HydrophobicContact CB-CG2 4.29Å; D266-T269 WeakPolarHBondContact O-CG2 3.14Å; D266-T269 PolarHBondContact O-N 3.04Å; D266-T269 PolarHBondContact O-OG1 3.28Å
267D97.5Very high97.6Very high109 Ų10942.8 Ų42.858%0.58326%0.264SS*.G310 helixtrans-66.5-18.1172-56.3-31.8000112.1R5 F262 S265R5-D267 IonicContact NH1-OD2 2.91Å; R5-D267 PolarHBondContact NH1-OD2 3.34Å; F262-D267 HydrophobicContact CD2-CB 3.79Å; F262-D267 HydrophobicContact CE2-CB 3.71Å; S265-D267 PolarHBondContact O-N 3.15Å; S265-D267 WeakPolarHBondContact OG-CB 3.33Å; S265-D267 PolarHBondContact OG-N 2.9Å; S265-D267 PolarHBondContact OG-OD2 3.45Å
268A97.8Very high97.4Very high1 Ų143.8 Ų43.81%0.00827%0.271CS..G310 helixtrans-110.425.6-178.800000113.3R199 F262 L263 S265 D266 A270 I271R199-A268 PolarHBondContact NH1-O 3.2Å; F262-A268 HydrophobicContact CD1-CB 4.49Å; F262-A268 HydrophobicContact CE1-CB 4.14Å; F262-A268 HydrophobicContact CE2-CB 4.36Å; F262-A268 HydrophobicContact CZ-CB 4.07Å; F262-A268 VanDerWaalsContact O-CB 3.26Å; F262-A268 WeakPolarHBondContact O-CB 3.33Å; L263-A268 HydrophobicContact CD2-CB 4.43Å; S265-A268 PolarHBondContact O-N 3.01Å; D266-A268 PolarHBondContact O-N 3.25Å; A268-A270 PolarHBondContact O-N 2.89Å; A268-I271 HydrophobicContact CB-CB 4.33Å; A268-I271 HydrophobicContact CB-CD1 4.08Å; A268-I271 HydrophobicContact CB-CG1 4.48Å; A268-I271 WeakPolarHBondContact O-CB 3.41Å; A268-I271 PolarHBondContact O-N 2.97Å
269T97.5Very high97.2Very high99 Ų9942.7 Ų42.761%0.60726%0.26SS*.THydrogen-bonded Turntrans-58.2-29.2-176.8400000114.3R199 D266 I271R199-T269 WeakPolarHBondContact CD-O 3.38Å; D266-T269 HydrophobicContact CB-CG2 4.29Å; D266-T269 WeakPolarHBondContact O-CG2 3.14Å; D266-T269 PolarHBondContact O-N 3.04Å; D266-T269 PolarHBondContact O-OG1 3.28Å; T269-I271 VanDerWaalsContact C-N 3.3Å; T269-I271 PolarHBondContact O-N 2.72Å
270A97.7Very high97.1Very high104 Ų10442.2 Ų42.286%0.8625%0.254SS*.THydrogen-bonded Turntrans-85.26.9175.800000114.2A268A268-A270 PolarHBondContact O-N 2.89Å
271I98.5Very high96.8Very high52 Ų5243.1 Ų43.127%0.26726%0.263SS..  trans-118.8111.8-170.7-55176.5000111.1R199 N201 F262 L263 A268 T269 S274R199-I271 WeakPolarHBondContact CD-O 3.47Å; R199-I271 PolarHBondContact NH1-O 2.92Å; N201-I271 PolarHBondContact ND2-O 3.41Å; F262-I271 HydrophobicContact CE1-CD1 3.8Å; F262-I271 HydrophobicContact CZ-CD1 3.9Å; L263-I271 HydrophobicContact CD2-CD1 4.37Å; L263-I271 HydrophobicContact CD2-CG2 3.88Å; A268-I271 HydrophobicContact CB-CB 4.33Å; A268-I271 HydrophobicContact CB-CD1 4.08Å; A268-I271 HydrophobicContact CB-CG1 4.48Å; A268-I271 WeakPolarHBondContact O-CB 3.41Å; A268-I271 PolarHBondContact O-N 2.97Å; T269-I271 VanDerWaalsContact C-N 3.3Å; T269-I271 PolarHBondContact O-N 2.72Å; I271-S274 WeakPolarHBondContact CG2-OG 3.46Å
272T98.6Very high96.4Very high62 Ų6243.8 Ų43.838%0.3827%0.266SS..  trans-144.7152.4169.9-165.70000110.4R199 V200 N201 S274R199-T272 WeakPolarHBondContact CA-OG1 3.29Å; V200-T272 PolarHBondContact N-OG1 3.29Å; V200-T272 VanDerWaalsContact N-OG1 3.15Å; N201-T272 VanDerWaalsContact OD1-C 3.29Å; N201-T272 WeakPolarHBondContact OD1-CA 3.48Å; T272-S274 PolarHBondContact O-N 2.92Å; T272-S274 VanDerWaalsContact O-N 3.17Å
273G97.8Very high96.1Very high24 Ų2441.8 Ų41.825%0.24726%0.26CS..SBendtrans68.66.8-176.800000114.2A190 V200 N201A190-G273 VanDerWaalsContact CB-N 3.33Å; V200-G273 WeakPolarHBondContact O-CA 3.43Å; V200-G273 PolarHBondContact O-N 2.91Å; N201-G273 PolarHBondContact OD1-N 3.16Å
274S96Very high95.7Very high34 Ų3445 Ų4524%0.23829%0.287CS..  trans-82.1150.8-175.1750000112.1N201 S202 I271 T272N201-S274 WeakPolarHBondContact OD1-CB 3.31Å; N201-S274 PolarHBondContact OD1-N 3.45Å; N201-S274 PolarHBondContact OD1-OG 3.39Å; S202-S274 PolarHBondContact N-O 3.36Å; I271-S274 WeakPolarHBondContact CG2-OG 3.46Å; T272-S274 PolarHBondContact O-N 2.92Å; T272-S274 VanDerWaalsContact O-N 3.17Å
275T94.2Very high94.8Very high39 Ų3954.5 Ų54.524%0.23932%0.324CS..EExtended strand (participates in β ladder)trans-111.396.3168.7-64.30000107.8I166 S202 N204 I277I166-T275 HydrophobicContact CD1-CG2 4.39Å; S202-T275 PolarHBondContact OG-OG1 3.06Å; N204-T275 HydrophobicContact CB-CG2 3.86Å; N204-T275 WeakPolarHBondContact ND2-CG2 3.4Å; T275-I277 PolarHBondContact O-N 3.26Å
276A96Very high94.6Very high24 Ų2457.3 Ų57.320%0.19834%0.34CS..EExtended strand (participates in β ladder)trans-77.5114.6178.800000110.1S202 V203 N204 V259 L263 S278S202-A276 PolarHBondContact O-N 3.31Å; V203-A276 CarbonylContact C-O 3.53Å; V203-A276 WeakPolarHBondContact CA-O 3.39Å; V203-A276 HydrophobicContact CG2-CB 4.46Å; N204-A276 PolarHBondContact N-O 2.57Å; V259-A276 HydrophobicContact CG1-CB 4.27Å; L263-A276 HydrophobicContact CD1-CB 3.82Å; A276-S278 PolarHBondContact O-N 3.03Å
277I94.9Very high94.5Very high92 Ų9255.1 Ų55.147%0.47233%0.331SS..EExtended strand (participates in β ladder)trans-84.9112.2178.9-58.2177.4000108.9I166 N204 T275 D279 T283I166-I277 HydrophobicContact CD1-CD1 4.01Å; I166-I277 HydrophobicContact CD1-CG1 4.27Å; N204-I277 WeakPolarHBondContact O-CA 3.46Å; T275-I277 PolarHBondContact O-N 3.26Å; I277-D279 HydrophobicContact CG2-CB 4.04Å; I277-D279 WeakPolarHBondContact CG2-OD1 3.31Å; I277-D279 WeakPolarHBondContact CG2-OD2 3.43Å; I277-T283 WeakPolarHBondContact CG2-OG1 3.39Å
278S95Very high94.3Very high21 Ų2152.1 Ų52.115%0.14732%0.317CS..  trans-125.462.1-179179.70000109.6N204 Q256 A276N204-S278 PolarHBondContact O-N 2.81Å; Q256-S278 PolarHBondContact NE2-O 3.2Å; Q256-S278 PolarHBondContact NE2-OG 3.03Å; Q256-S278 VanDerWaalsContact OE1-CB 3.3Å; Q256-S278 PolarHBondContact OE1-O 2.87Å; Q256-S278 PolarHBondContact OE1-OG 2.97Å; A276-S278 PolarHBondContact O-N 3.03Å
279D93.9Very high94.1Very high10 Ų1055.1 Ų55.15%0.05334%0.335CS..SBendtrans-12411.6-162.975.8-12000114.1A206 S239 I277 G281 Y282 T283A206-D279 HydrophobicContact CB-CB 3.76Å; S239-D279 WeakPolarHBondContact CB-O 3.23Å; I277-D279 HydrophobicContact CG2-CB 4.04Å; I277-D279 WeakPolarHBondContact CG2-OD1 3.31Å; I277-D279 WeakPolarHBondContact CG2-OD2 3.43Å; D279-G281 PolarHBondContact O-N 3.49Å; D279-G281 WeakPolarHBondContact OD1-CA 3.32Å; D279-G281 PolarHBondContact OD1-N 2.65Å; D279-Y282 VanDerWaalsContact O-CB 3.28Å; D279-Y282 WeakPolarHBondContact O-CB 3.13Å; D279-Y282 PolarHBondContact O-N 3.4Å; D279-Y282 PolarHBondContact OD1-N 3.14Å; D279-Y282 PolarHBondContact OD2-N 3.33Å; D279-T283 VanDerWaalsContact OD2-CB 3.27Å; D279-T283 WeakPolarHBondContact OD2-CB 3.38Å; D279-T283 VanDerWaalsContact OD2-CG2 3.31Å; D279-T283 WeakPolarHBondContact OD2-CG2 3.36Å; D279-T283 PolarHBondContact OD2-N 3.43Å; D279-T283 PolarHBondContact OD2-OG1 2.91Å
280R94.3Very high93.9Very high32 Ų3252.4 Ų52.412%0.12132%0.318CS..THydrogen-bonded Turntrans6026-176.8-66.4178.572.789.6-3.7113.9S239 L240 L241 D245 S251 E255S239-R280 WeakPolarHBondContact CB-O 3.45Å; S239-R280 WeakPolarHBondContact OG-CB 3.38Å; L240-R280 PolarHBondContact N-O 3.12Å; L241-R280 HydrophobicContact CB-CB 3.99Å; L241-R280 HydrophobicContact CB-CG 4.43Å; L241-R280 HydrophobicContact CD1-CB 4.4Å; L241-R280 HydrophobicContact CG-CB 4.45Å; L241-R280 PolarHBondContact N-O 3.29Å; L241-R280 PolarHBondContact O-NH2 3.38Å; D245-R280 IonicContact OD2-NH2 3.35Å; D245-R280 PolarHBondContact OD2-NH2 3.24Å; S251-R280 WeakPolarHBondContact OG-CD 3.41Å; S251-R280 WeakPolarHBondContact OG-CG 3.42Å; E255-R280 IonicContact OE1-NH1 2.81Å; E255-R280 PolarHBondContact OE1-NH1 3.1Å
281G93Very high93.6Very high19 Ų1948.9 Ų48.920%0.19628%0.282CS..THydrogen-bonded Turntrans8220.2-179.600000113.4D279 T283 A284D279-G281 PolarHBondContact O-N 3.49Å; D279-G281 WeakPolarHBondContact OD1-CA 3.32Å; D279-G281 PolarHBondContact OD1-N 2.65Å; G281-T283 VanDerWaalsContact C-N 3.29Å; G281-T283 PolarHBondContact O-N 2.73Å; G281-A284 WeakPolarHBondContact O-CB 3.47Å; G281-A284 PolarHBondContact O-N 3.12Å
282Y91.5Very high93.3Very high14 Ų1448.7 Ų48.76%0.05528%0.283CS..THydrogen-bonded Turntrans-63.5-34.4179.3-175.1-90.8000112.9H167 A206 K236 D279H167-Y282 AromaticContact CE1-CE1 3.6Å; H167-Y282 AromaticContact NE2-CD1 3.83Å; H167-Y282 AromaticContact NE2-CE1 3.4Å; H167-Y282 WeakPolarHBondContact NE2-CE1 3.23Å; A206-Y282 VanDerWaalsContact CB-CB 3.5Å; A206-Y282 HydrophobicContact CB-CD1 3.85Å; A206-Y282 HydrophobicContact CB-CD2 4.06Å; A206-Y282 HydrophobicContact CB-CG 3.52Å; K236-Y282 HydrophobicContact CD-CE1 4.28Å; K236-Y282 HydrophobicContact CD-CE2 4.35Å; K236-Y282 WeakPolarHBondContact CE-O 3.13Å; K236-Y282 HydrophobicContact CG-CE2 3.9Å; K236-Y282 PolarHBondContact NZ-O 2.96Å; K236-Y282 WeakPolarHBondContact O-CE2 3.28Å; K236-Y282 PolarHBondContact O-OH 3.12Å; D279-Y282 VanDerWaalsContact O-CB 3.28Å; D279-Y282 WeakPolarHBondContact O-CB 3.13Å; D279-Y282 PolarHBondContact O-N 3.4Å; D279-Y282 PolarHBondContact OD1-N 3.14Å; D279-Y282 PolarHBondContact OD2-N 3.33Å
283T91.2Very high92.8Very high37 Ų3747.7 Ų47.723%0.22728%0.275CS..THydrogen-bonded Turntrans-101.810.9179.759.30000113.8I277 D279 G281 Y285I277-T283 WeakPolarHBondContact CG2-OG1 3.39Å; D279-T283 VanDerWaalsContact OD2-CB 3.27Å; D279-T283 WeakPolarHBondContact OD2-CB 3.38Å; D279-T283 VanDerWaalsContact OD2-CG2 3.31Å; D279-T283 WeakPolarHBondContact OD2-CG2 3.36Å; D279-T283 PolarHBondContact OD2-N 3.43Å; D279-T283 PolarHBondContact OD2-OG1 2.91Å; G281-T283 VanDerWaalsContact C-N 3.29Å; G281-T283 PolarHBondContact O-N 2.73Å; T283-Y285 PolarHBondContact O-N 2.6Å
284A89.3Confident92.4Very high71 Ų7149.7 Ų49.759%0.58728%0.277SS*.  trans-66.2-27.3179.800000113.1L240 G281L240-A284 HydrophobicContact CD1-CB 3.82Å; G281-A284 WeakPolarHBondContact O-CB 3.47Å; G281-A284 PolarHBondContact O-N 3.12Å
285Y80Confident92.1Very high203 Ų20351.1 Ų51.180%0.79628%0.281SS*.  trans-154.60176.165.4-75.4000110.9K236 L240 T283K236-Y285 PolarHBondContact NZ-O 2.8Å; L240-Y285 HydrophobicContact CD1-CD1 4.25Å; L240-Y285 HydrophobicContact CD1-CE1 3.91Å; L240-Y285 HydrophobicContact CD2-CD1 4.41Å; L240-Y285 HydrophobicContact CD2-CE1 3.38Å; L240-Y285 HydrophobicContact CG-CD1 4.45Å; L240-Y285 HydrophobicContact CG-CE1 3.64Å; T283-Y285 PolarHBondContact O-N 2.6Å

Retrieved 285 of 285 residues in 460.2 ms (Link to these results)

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