A0A077YXF3_TRITR Loading...

Glutamate gated chloride channel subunit beta

AlphaFold DB , UniProt , Accession A0A077YXF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 448 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
1M53Low83.3Confident231 Ų23196.9 Ų96.9100%1.13845%0.448SS*.  0142.70-77.8178.116900108.9Y3M1-Y3 PolarHBondContact O-N 3.3Å
2N76.1Confident84Confident112 Ų11288.8 Ų88.860%0.59941%0.411SS*.  trans-82.6103.9179.9-159.1-11.8000109.3L4 S5 W6N2-L4 PolarHBondContact O-N 3.3Å; N2-L4 VanDerWaalsContact O-N 3.13Å; N2-S5 PolarHBondContact O-N 3.44Å; N2-S5 PolarHBondContact O-OG 3.49Å; N2-W6 PolarHBondContact O-N 3.09Å
3Y82.5Confident84.6Confident124 Ų12497.7 Ų97.749%0.48644%0.438SS..Hα-helixtrans-53.2-38.4-171.4173-95.6000112.8M1 W6 R7 Y74M1-Y3 PolarHBondContact O-N 3.3Å; Y3-W6 PolarHBondContact O-N 3.22Å; Y3-R7 WeakPolarHBondContact O-CB 3.24Å; Y3-R7 PolarHBondContact O-N 3.13Å; Y3-R7 PolarHBondContact OH-NH1 3.48Å; Y3-R7 VanDerWaalsContact OH-NH1 3.16Å; Y3-Y74 HydrophobicContact CE1-CD1 4.47Å; Y3-Y74 HydrophobicContact CE1-CE1 4.21Å
4L84.4Confident85.1Confident65 Ų6597.1 Ų97.134%0.3445%0.451SS..Hα-helixtrans-62.5-40.9177.7-69.7168.4000112.9N2 R7 G8 Y74N2-L4 PolarHBondContact O-N 3.3Å; N2-L4 VanDerWaalsContact O-N 3.13Å; L4-R7 PolarHBondContact O-N 3.12Å; L4-G8 PolarHBondContact O-N 2.89Å; L4-Y74 HydrophobicContact CD2-CD1 4.15Å
5S83.1Confident85.5Confident72 Ų7293.1 Ų93.150%0.50343%0.434SS..Hα-helixtrans-71.3-39.3-179.368.10000111.7N2 G8 Q9N2-S5 PolarHBondContact O-N 3.44Å; N2-S5 PolarHBondContact O-OG 3.49Å; S5-G8 PolarHBondContact O-N 3.08Å; S5-Q9 WeakPolarHBondContact O-CG 3.22Å; S5-Q9 PolarHBondContact O-N 3.35Å
6W86.7Confident85.9Confident135 Ų13589.3 Ų89.351%0.51142%0.418SS..Hα-helixtrans-62-45.6173.2178.287.3000111.9N2 Y3 G8 Q9 R10N2-W6 PolarHBondContact O-N 3.09Å; Y3-W6 PolarHBondContact O-N 3.22Å; W6-G8 VanDerWaalsContact C-N 3.35Å; W6-G8 PolarHBondContact O-N 3.06Å; W6-Q9 PolarHBondContact O-N 3.36Å; W6-R10 WeakPolarHBondContact O-CB 3.46Å; W6-R10 PolarHBondContact O-N 3.31Å
7R89.4Confident86.1Confident58 Ų5888.9 Ų88.922%0.21943%0.427CS..Hα-helixtrans-61.2-43.6177.4-172.4-179.4179.3125.2-0.5111.5Y3 L4 R10 L11 D72 Y74 F75Y3-R7 WeakPolarHBondContact O-CB 3.24Å; Y3-R7 PolarHBondContact O-N 3.13Å; Y3-R7 PolarHBondContact OH-NH1 3.48Å; Y3-R7 VanDerWaalsContact OH-NH1 3.16Å; L4-R7 PolarHBondContact O-N 3.12Å; R7-R10 PolarHBondContact O-N 3.42Å; R7-L11 WeakPolarHBondContact O-CB 3.21Å; R7-L11 PolarHBondContact O-N 3.02Å; R7-D72 IonicContact CZ-OD1 2.76Å; R7-D72 IonicContact CZ-OD2 3.21Å; R7-D72 VanDerWaalsContact CZ-OD2 3.23Å; R7-D72 IonicContact NE-OD1 2.97Å; R7-D72 PolarHBondContact NE-OD1 3.47Å; R7-D72 IonicContact NE-OD2 3.8Å; R7-D72 PolarHBondContact NE-OD2 3.08Å; R7-D72 VanDerWaalsContact NH2-CG 3.33Å; R7-D72 IonicContact NH2-OD1 3.21Å; R7-D72 PolarHBondContact NH2-OD1 2.97Å; R7-D72 IonicContact NH2-OD2 3.37Å; R7-D72 PolarHBondContact NH2-OD2 3.39Å; R7-Y74 VanDerWaalsContact NH1-CE2 3.25Å; R7-F75 HydrophobicContact CG-CE2 4.22Å
8G90Very high86.3Confident2 Ų292.3 Ų92.32%0.02145%0.448CS..Hα-helixtrans-61.5-46.7176.500000112.6L4 S5 W6 R10 L11 V12 F75L4-G8 PolarHBondContact O-N 2.89Å; S5-G8 PolarHBondContact O-N 3.08Å; W6-G8 VanDerWaalsContact C-N 3.35Å; W6-G8 PolarHBondContact O-N 3.06Å; G8-R10 PolarHBondContact O-N 2.97Å; G8-L11 WeakPolarHBondContact O-CB 3.47Å; G8-L11 PolarHBondContact O-N 3.2Å; G8-V12 WeakPolarHBondContact O-CG2 3.49Å; G8-V12 PolarHBondContact O-N 2.66Å; G8-F75 VanDerWaalsContact CA-CZ 3.46Å
9Q90Very high86.6Confident68 Ų6888.7 Ų88.732%0.31843%0.43SS..Hα-helixtrans-66.2-36.3177.9-69.8-59.7-27.400113S5 W6 L11 R13 H82S5-Q9 WeakPolarHBondContact O-CG 3.22Å; S5-Q9 PolarHBondContact O-N 3.35Å; W6-Q9 PolarHBondContact O-N 3.36Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-R13 WeakPolarHBondContact O-CB 3.37Å; Q9-R13 PolarHBondContact O-N 3.42Å; Q9-H82 PolarHBondContact NE2-O 2.74Å
10R90.4Very high86.8Confident171 Ų17189.5 Ų89.565%0.64543%0.434SS*.Hα-helixtrans-63.1-40.9172.1-175.3177.9179.9-177.31.4111.8W6 R7 G8 S14W6-R10 WeakPolarHBondContact O-CB 3.46Å; W6-R10 PolarHBondContact O-N 3.31Å; R7-R10 PolarHBondContact O-N 3.42Å; G8-R10 PolarHBondContact O-N 2.97Å; R10-S14 PolarHBondContact O-N 3.16Å
11L90.9Very high87Confident28 Ų2890.5 Ų90.515%0.14744%0.437CS..Hα-helixtrans-65.6-47.9177.2-176.9151.3000111.2R7 G8 Q9 R13 S14 L15 F70 D72 I81R7-L11 WeakPolarHBondContact O-CB 3.21Å; R7-L11 PolarHBondContact O-N 3.02Å; G8-L11 WeakPolarHBondContact O-CB 3.47Å; G8-L11 PolarHBondContact O-N 3.2Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.72Å; L11-S14 WeakPolarHBondContact O-CA 3.5Å; L11-S14 WeakPolarHBondContact O-CB 3.3Å; L11-S14 PolarHBondContact O-N 3.11Å; L11-L15 HydrophobicContact CD2-CD1 3.63Å; L11-L15 HydrophobicContact CD2-CG 4.16Å; L11-L15 PolarHBondContact O-N 3.03Å; L11-F70 HydrophobicContact CD1-CB 4.29Å; L11-F70 HydrophobicContact CD1-CD2 3.67Å; L11-F70 HydrophobicContact CD1-CE2 4.26Å; L11-F70 HydrophobicContact CD1-CG 4.15Å; L11-F70 HydrophobicContact CD2-CB 3.91Å; L11-F70 HydrophobicContact CD2-CD1 3.83Å; L11-F70 HydrophobicContact CD2-CD2 3.74Å; L11-F70 HydrophobicContact CD2-CE1 4.23Å; L11-F70 HydrophobicContact CD2-CE2 4.15Å; L11-F70 HydrophobicContact CD2-CG 3.56Å; L11-F70 HydrophobicContact CD2-CZ 4.39Å; L11-F70 HydrophobicContact CG-CB 4.49Å; L11-F70 HydrophobicContact CG-CD2 4.37Å; L11-F70 HydrophobicContact CG-CG 4.44Å; L11-D72 HydrophobicContact CD1-CB 3.74Å; L11-I81 HydrophobicContact CD2-CD1 4.05Å
12V91.5Very high88.7Confident0 Ų083.4 Ų83.40%041%0.41CS..Hα-helixtrans-58.5-44.5176.6171.80000111.1G8 S14 L15 L16 I81 L83 Q87 I116G8-V12 WeakPolarHBondContact O-CG2 3.49Å; G8-V12 PolarHBondContact O-N 2.66Å; V12-S14 PolarHBondContact O-N 3.27Å; V12-L15 PolarHBondContact O-N 3.26Å; V12-L15 VanDerWaalsContact O-N 3.09Å; V12-L16 HydrophobicContact CG1-CD1 3.63Å; V12-L16 HydrophobicContact CG1-CG 4.15Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 2.79Å; V12-I81 HydrophobicContact CG2-CB 4.37Å; V12-I81 HydrophobicContact CG2-CG2 3.66Å; V12-L83 HydrophobicContact CB-CD1 4.47Å; V12-L83 HydrophobicContact CG1-CD1 3.78Å; V12-L83 HydrophobicContact CG1-CD2 4.48Å; V12-L83 HydrophobicContact CG1-CG 3.93Å; V12-L83 HydrophobicContact CG2-CD1 3.78Å; V12-Q87 HydrophobicContact CG1-CG 4.46Å; V12-I116 HydrophobicContact CG2-CD1 4.2Å
13R91.8Very high89.5Confident204 Ų20480.8 Ų80.877%0.7740%0.398SS*.Hα-helixtrans-60.7-29.8175.5-170.5174.2-177.1171.42.3113.3Q9 L11 S17Q9-R13 WeakPolarHBondContact O-CB 3.37Å; Q9-R13 PolarHBondContact O-N 3.42Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.72Å; R13-S17 PolarHBondContact O-N 3.04Å
14S91.2Very high89.9Confident89 Ų8977.3 Ų77.362%0.62238%0.384SS*.Hα-helixtrans-79.2-28.4174.9-167.30000113.6R10 L11 V12 S17R10-S14 PolarHBondContact O-N 3.16Å; L11-S14 WeakPolarHBondContact O-CA 3.5Å; L11-S14 WeakPolarHBondContact O-CB 3.3Å; L11-S14 PolarHBondContact O-N 3.11Å; V12-S14 PolarHBondContact O-N 3.27Å; S14-S17 PolarHBondContact O-OG 3.04Å
15L91Very high90.2Very high37 Ų3774.3 Ų74.319%0.19437%0.369CS..Hα-helixtrans-74.2-40173.3-69.5174.4000111.3L11 V12 S17 F70 I116L11-L15 HydrophobicContact CD2-CD1 3.63Å; L11-L15 HydrophobicContact CD2-CG 4.16Å; L11-L15 PolarHBondContact O-N 3.03Å; V12-L15 PolarHBondContact O-N 3.26Å; V12-L15 VanDerWaalsContact O-N 3.09Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 2.96Å; L15-F70 HydrophobicContact CD1-CB 4.17Å; L15-F70 HydrophobicContact CD1-CD1 3.77Å; L15-F70 HydrophobicContact CD1-CG 4.31Å; L15-F70 HydrophobicContact CD2-CB 4.29Å; L15-I116 HydrophobicContact CD1-CD1 4.33Å
16L92.2Very high89.9Confident33 Ų3378 Ų7817%0.17338%0.38CS..G310 helixtrans-80.5-9.3-174.3-63.3178.9000114.4V12 N18 Y19 L68 Q87 V89V12-L16 HydrophobicContact CG1-CD1 3.63Å; V12-L16 HydrophobicContact CG1-CG 4.15Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 2.79Å; L16-N18 VanDerWaalsContact C-N 3.28Å; L16-N18 PolarHBondContact O-N 3.33Å; L16-Y19 HydrophobicContact CD2-CD1 4.1Å; L16-Y19 HydrophobicContact CD2-CG 4.02Å; L16-Y19 PolarHBondContact O-N 3.19Å; L16-L68 HydrophobicContact CD2-CD2 3.96Å; L16-Q87 HydrophobicContact CD1-CB 3.7Å; L16-Q87 HydrophobicContact CD1-CG 3.99Å; L16-V89 HydrophobicContact CD2-CG1 3.72Å
17S90.1Very high89.2Confident83 Ų8374.3 Ų74.358%0.5837%0.372SS*.G310 helixtrans-61.2-33.7-174.859.30000114.1R13 S14 L15R13-S17 PolarHBondContact O-N 3.04Å; S14-S17 PolarHBondContact O-OG 3.04Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 2.96Å
18N88.4Confident88.2Confident149 Ų14978.8 Ų78.880%0.79741%0.406SS*.G310 helixtrans-115.814.5178.2-64.6-15.4000112.1L16L16-N18 VanDerWaalsContact C-N 3.28Å; L16-N18 PolarHBondContact O-N 3.33Å
19Y92.3Very high87.4Confident25 Ų2588 Ų8810%0.09845%0.449CS..  trans-87.5120-172.7-176.2-86.9000111.8L16 F21 D65 R67 L68 V89 W90L16-Y19 HydrophobicContact CD2-CD1 4.1Å; L16-Y19 HydrophobicContact CD2-CG 4.02Å; L16-Y19 PolarHBondContact O-N 3.19Å; Y19-F21 HydrophobicContact CD1-CB 4.22Å; Y19-F21 HydrophobicContact CE1-CB 3.93Å; Y19-F21 PolarHBondContact O-N 2.88Å; Y19-D65 VanDerWaalsContact CE2-OD2 3.31Å; Y19-D65 WeakPolarHBondContact CE2-OD2 3.34Å; Y19-D65 PolarHBondContact OH-OD2 3.39Å; Y19-R67 HydrophobicContact CD2-CB 3.97Å; Y19-R67 HydrophobicContact CE2-CB 3.89Å; Y19-R67 PolarHBondContact OH-NH2 3.41Å; Y19-R67 VanDerWaalsContact OH-NH2 3.07Å; Y19-L68 HydrophobicContact CD2-CD2 3.65Å; Y19-L68 HydrophobicContact CD2-CG 4.24Å; Y19-L68 HydrophobicContact CE2-CD1 4.17Å; Y19-L68 HydrophobicContact CE2-CD2 3.6Å; Y19-L68 HydrophobicContact CE2-CG 3.71Å; Y19-L68 HydrophobicContact CG-CD2 4.37Å; Y19-V89 HydrophobicContact CE1-CB 4.07Å; Y19-V89 HydrophobicContact CE1-CG1 4.24Å; Y19-W90 WeakPolarHBondContact OH-CB 3.34Å; Y19-W90 PolarHBondContact OH-N 2.9Å; Y19-W90 VanDerWaalsContact OH-N 3.13Å
20I91.9Very high87.2Confident103 Ų10386.2 Ų86.253%0.52845%0.448SS..  trans-93.2101177.9-55176.9000109.5S22 V23 R67I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 WeakPolarHBondContact CG2-OG 3.17Å; I20-S22 PolarHBondContact O-N 2.74Å; I20-V23 HydrophobicContact CB-CG2 4.43Å; I20-V23 HydrophobicContact CG2-CB 4.33Å; I20-V23 HydrophobicContact CG2-CG2 3.72Å; I20-V23 PolarHBondContact O-N 3.28Å; I20-R67 PolarHBondContact O-NH1 2.84Å
21F91Very high87.4Confident111 Ų11179.6 Ų79.649%0.48743%0.427SS..THydrogen-bonded Turntrans-70.9-18.4-175.970.4-92.4000115Y19 V23 L88 W90Y19-F21 HydrophobicContact CD1-CB 4.22Å; Y19-F21 HydrophobicContact CE1-CB 3.93Å; Y19-F21 PolarHBondContact O-N 2.88Å; F21-V23 VanDerWaalsContact C-N 3.27Å; F21-V23 PolarHBondContact O-N 3.07Å; F21-L88 HydrophobicContact CB-CB 4.42Å; F21-L88 HydrophobicContact CD1-CB 4.28Å; F21-L88 HydrophobicContact CD1-CD1 4.45Å; F21-L88 HydrophobicContact CE1-CD1 4.21Å; F21-L88 HydrophobicContact CG-CB 4.21Å; F21-L88 HydrophobicContact CZ-CD1 4.27Å; F21-W90 WeakPolarHBondContact O-CA 3.36Å; F21-W90 WeakPolarHBondContact O-CB 3.35Å
22S89Confident87.5Confident82 Ų8278.3 Ų78.357%0.57342%0.421SS*.THydrogen-bonded Turntrans-77.1-10.4176.353.10000113.9I20I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 WeakPolarHBondContact CG2-OG 3.17Å; I20-S22 PolarHBondContact O-N 2.74Å
23V90.9Very high87.7Confident58 Ų5882.4 Ų82.435%0.35244%0.44SS..SBendtrans-106.5126.7-175.2178.40000110.5I20 F21 R67I20-V23 HydrophobicContact CB-CG2 4.43Å; I20-V23 HydrophobicContact CG2-CB 4.33Å; I20-V23 HydrophobicContact CG2-CG2 3.72Å; I20-V23 PolarHBondContact O-N 3.28Å; F21-V23 VanDerWaalsContact C-N 3.27Å; F21-V23 PolarHBondContact O-N 3.07Å; V23-R67 PolarHBondContact O-NH1 3.29Å; V23-R67 PolarHBondContact O-NH2 3.48Å
24R91.5Very high87.9Confident50 Ų5072.7 Ų72.719%0.18940%0.403CS..  trans-53.8140.3173179.9170.668.288.7-8.3110.6M26 V32 W90 Y157 D161R24-M26 PolarHBondContact O-N 3.33Å; R24-V32 HydrophobicContact CG-CG2 3.7Å; R24-W90 HydrophobicContact CB-CZ2 4.11Å; R24-W90 HydrophobicContact CG-CH2 4.29Å; R24-W90 HydrophobicContact CG-CZ2 3.86Å; R24-Y157 HydrophobicContact CB-CE1 4.08Å; R24-D161 VanDerWaalsContact CD-O 3.3Å; R24-D161 WeakPolarHBondContact CD-O 3Å; R24-D161 VanDerWaalsContact CZ-CA 3.49Å; R24-D161 VanDerWaalsContact CZ-O 3.27Å; R24-D161 IonicContact CZ-OD1 3.53Å; R24-D161 VanDerWaalsContact CZ-OD1 3.31Å; R24-D161 PolarHBondContact NE-O 2.97Å; R24-D161 IonicContact NE-OD1 3.55Å; R24-D161 PolarHBondContact NE-OD1 3.42Å; R24-D161 PolarHBondContact NH1-O 3.15Å; R24-D161 IonicContact NH2-OD1 3.51Å; R24-D161 PolarHBondContact NH2-OD1 3.35Å
25P90.4Very high88.2Confident2 Ų270.2 Ų70.21%0.01339%0.386CS..  trans-53.2128.5172.8-23.529.7000111.2T27 V32 D65 W90P25-T27 PolarHBondContact O-N 3.06Å; P25-T27 VanDerWaalsContact O-N 3.13Å; P25-V32 HydrophobicContact CB-CG2 4.09Å; P25-V32 HydrophobicContact CG-CG2 4.34Å; P25-V32 VanDerWaalsContact O-CG2 3.31Å; P25-V32 WeakPolarHBondContact O-CG2 3.33Å; P25-D65 HydrophobicContact CB-CB 4.23Å; P25-D65 HydrophobicContact CG-CB 3.97Å; P25-W90 HydrophobicContact CG-CD2 4.39Å; P25-W90 HydrophobicContact CG-CE3 3.86Å; P25-W90 HydrophobicContact CG-CZ3 4.15Å
26M78.1Confident88.5Confident151 Ų15168.5 Ų68.574%0.74438%0.377SS*.  trans-7995.8174.6-67.5179.9-172.800109.6R24R24-M26 PolarHBondContact O-N 3.33Å
27T71.8Confident88.7Confident57 Ų5767.8 Ų67.835%0.3537%0.374SS..  trans-73.5130.1160.427.20000108.8P25 E29 G30 P31 V32P25-T27 PolarHBondContact O-N 3.06Å; P25-T27 VanDerWaalsContact O-N 3.13Å; T27-E29 VanDerWaalsContact C-N 3.28Å; T27-E29 PolarHBondContact O-N 2.91Å; T27-G30 PolarHBondContact OG1-O 3.26Å; T27-P31 PolarHBondContact OG1-O 2.98Å; T27-V32 HydrophobicContact CG2-CG2 4.49Å
28T68.3Low89Confident151 Ų15163.9 Ų63.993%0.92635%0.347SS*.THydrogen-bonded Turntrans-56.3-34.3-159.7400000115.2
29E72.1Confident89.4Confident197 Ų19759.7 Ų59.792%0.92132%0.322SS*.THydrogen-bonded Turntrans-146.636.1178.6-61.7-172.7153.700112.8T27T27-E29 VanDerWaalsContact C-N 3.28Å; T27-E29 PolarHBondContact O-N 2.91Å
30G87.3Confident89.5Confident30 Ų3058.5 Ų58.531%0.30932%0.317SS..SBendtrans-170-178.1-176.300000117.5T27T27-G30 PolarHBondContact OG1-O 3.26Å
31P93.3Very high89.6Confident31 Ų3154.8 Ų54.820%0.20130%0.3CS..  trans-68.4160.3175.329.7-35.2000111.9T27 H33 D161 L163T27-P31 PolarHBondContact OG1-O 2.98Å; P31-H33 PolarHBondContact O-CD2 3.32Å; P31-H33 PolarHBondContact O-N 2.95Å; P31-D161 CarbonylContact C-O 3.45Å; P31-D161 WeakPolarHBondContact CA-O 3.17Å; P31-L163 HydrophobicContact CB-CB 4.45Å; P31-L163 HydrophobicContact CG-CB 4.36Å
32V94.1Very high89.7Confident2 Ų250.4 Ų50.41%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-79.7115.1167.9175.60000108.3R24 P25 T27 V34 W63 W90 D161 I162 L163R24-V32 HydrophobicContact CG-CG2 3.7Å; P25-V32 HydrophobicContact CB-CG2 4.09Å; P25-V32 HydrophobicContact CG-CG2 4.34Å; P25-V32 VanDerWaalsContact O-CG2 3.31Å; P25-V32 WeakPolarHBondContact O-CG2 3.33Å; T27-V32 HydrophobicContact CG2-CG2 4.49Å; V32-V34 HydrophobicContact CG1-CG2 4.08Å; V32-V34 PolarHBondContact O-N 3.06Å; V32-W63 HydrophobicContact CG1-CB 4.04Å; V32-W63 HydrophobicContact CG1-CG 4.48Å; V32-W90 HydrophobicContact CG1-CH2 4.39Å; V32-W90 HydrophobicContact CG1-CZ3 4.34Å; V32-D161 PolarHBondContact N-O 3.23Å; V32-I162 WeakPolarHBondContact O-CA 3.42Å; V32-L163 PolarHBondContact O-N 3.07Å
33H94.9Very high89.9Confident86 Ų8646.7 Ų46.740%0.39826%0.258SS..EExtended strand (participates in β ladder)trans-75.6120.4172.7-65.2-106.8000109.3P31 L163 E165P31-H33 PolarHBondContact O-CD2 3.32Å; P31-H33 PolarHBondContact O-N 2.95Å; H33-L163 WeakPolarHBondContact CA-O 3.28Å; H33-E165 IonicContact CE1-OE1 3.56Å; H33-E165 PolarHBondContact CE1-OE1 3.47Å; H33-E165 IonicContact CG-OE1 2.84Å; H33-E165 IonicContact ND1-OE1 2.64Å; H33-E165 PolarHBondContact ND1-OE1 3.29Å; H33-E165 IonicContact ND1-OE2 3.88Å
34V96.4Very high89.7Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-114.1100.2178.9-1770000108.3V32 T36 Q61 E62 W63 P92 I162 L163 Y164 E165V32-V34 HydrophobicContact CG1-CG2 4.08Å; V32-V34 PolarHBondContact O-N 3.06Å; V34-T36 HydrophobicContact CG1-CG2 4.03Å; V34-Q61 HydrophobicContact CG1-CB 4.04Å; V34-E62 CarbonylContact C-O 3.52Å; V34-E62 WeakPolarHBondContact CA-O 3.28Å; V34-W63 HydrophobicContact CG2-CB 4.24Å; V34-P92 HydrophobicContact CG1-CG 4.21Å; V34-P92 HydrophobicContact CG2-CB 4.47Å; V34-I162 HydrophobicContact CG2-CG2 3.91Å; V34-L163 PolarHBondContact N-O 3.46Å; V34-Y164 HydrophobicContact CB-CD1 3.85Å; V34-Y164 HydrophobicContact CB-CE1 4.1Å; V34-Y164 HydrophobicContact CG1-CD1 3.95Å; V34-Y164 HydrophobicContact CG1-CE1 3.98Å; V34-Y164 WeakPolarHBondContact O-CA 3.39Å; V34-E165 PolarHBondContact O-N 3.1Å
35S96.9Very high89.2Confident37 Ų3746.4 Ų46.426%0.25927%0.267SS..EExtended strand (participates in β ladder)trans-75.2127.5174.1-50.50000109.6Q61 E62 E165S35-Q61 CarbonylContact O-C 3.43Å; S35-Q61 WeakPolarHBondContact O-CA 3.42Å; S35-E62 PolarHBondContact N-O 2.95Å; S35-E62 PolarHBondContact O-N 3.23Å; S35-E165 CarbonylContact C-O 3.57Å; S35-E165 WeakPolarHBondContact CA-O 3.41Å
36T97.2Very high89.2Confident0 Ų047 Ų470%027%0.27CS..EExtended strand (participates in β ladder)trans-121.9150.2-174.4660000112.4V34 Q60 Q61 F152 Y164 E165 S167 L206V34-T36 HydrophobicContact CG1-CG2 4.03Å; T36-Q60 CarbonylContact C-O 3.54Å; T36-Q60 VanDerWaalsContact CA-O 3.32Å; T36-Q60 WeakPolarHBondContact CA-O 3.24Å; T36-Q61 HydrophobicContact CG2-CG 4.12Å; T36-F152 HydrophobicContact CG2-CE2 4.08Å; T36-Y164 HydrophobicContact CG2-CD1 3.84Å; T36-E165 PolarHBondContact N-O 3.33Å; T36-E165 PolarHBondContact OG1-O 3.08Å; T36-E165 VanDerWaalsContact OG1-O 3.13Å; T36-S167 VanDerWaalsContact O-CB 3.31Å; T36-S167 WeakPolarHBondContact O-CB 3.21Å; T36-S167 PolarHBondContact O-N 3.03Å; T36-L206 WeakPolarHBondContact OG1-CD1 3.22Å
37S96.9Very high89.9Confident18 Ų1841.7 Ų41.713%0.12625%0.245CC..EExtended strand (participates in β ladder)trans-145.6148.8171.4530000111.4Q60 T169 P170S37-Q60 PolarHBondContact N-O 2.77Å; S37-Q60 PolarHBondContact O-N 3.25Å; S37-T169 VanDerWaalsContact CB-O 3.29Å; S37-T169 WeakPolarHBondContact CB-O 3.31Å; S37-P170 CarbonylContact C-O 3.29Å; S37-P170 VanDerWaalsContact CA-O 3.32Å; S37-P170 WeakPolarHBondContact CA-O 3.35Å
38V96.8Very high90.9Very high2 Ų240.1 Ų40.11%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-123.3120.8-176.5-172.70000109.5F40 F57 F59 L150 F152 W166 P170 L171 H172V38-F40 HydrophobicContact CB-CE2 4.22Å; V38-F40 HydrophobicContact CG1-CD2 3.97Å; V38-F40 HydrophobicContact CG1-CE1 4.39Å; V38-F40 HydrophobicContact CG1-CE2 3.58Å; V38-F40 HydrophobicContact CG1-CZ 3.82Å; V38-F57 HydrophobicContact CG1-CB 3.84Å; V38-F57 HydrophobicContact CG1-CD2 3.69Å; V38-F57 HydrophobicContact CG1-CE2 4.41Å; V38-F57 HydrophobicContact CG1-CG 3.87Å; V38-F59 HydrophobicContact CG2-CD2 4.07Å; V38-F59 HydrophobicContact CG2-CE2 4.25Å; V38-L150 HydrophobicContact CG1-CD2 4.32Å; V38-F152 HydrophobicContact CG2-CE1 4.27Å; V38-W166 HydrophobicContact CG2-CH2 4.35Å; V38-W166 HydrophobicContact CG2-CZ3 4.16Å; V38-P170 PolarHBondContact N-O 2.99Å; V38-L171 HydrophobicContact CB-CD2 4.09Å; V38-L171 WeakPolarHBondContact O-CA 3.3Å; V38-H172 PolarHBondContact O-N 3.44Å
39F95.7Very high92Very high61 Ų6139.3 Ų39.327%0.26821%0.214SC..EExtended strand (participates in β ladder)trans-106105.7174.5-175.6-75.6000109.1F57 Q58 H172 E174F39-F57 CarbonylContact O-C 3.57Å; F39-F57 WeakPolarHBondContact O-CA 3.25Å; F39-F57 VanDerWaalsContact O-CB 3.22Å; F39-F57 WeakPolarHBondContact O-CB 3.47Å; F39-Q58 HydrophobicContact CB-CB 4.2Å; F39-Q58 PolarHBondContact N-O 3.14Å; F39-Q58 PolarHBondContact O-N 2.98Å; F39-H172 CarbonylContact C-O 3.54Å; F39-H172 WeakPolarHBondContact CA-O 3.44Å; F39-H172 HydrophobicContact CD2-CB 3.72Å; F39-H172 AromaticContact CD2-CG 3.54Å; F39-H172 AromaticContact CD2-ND1 3.32Å; F39-H172 VanDerWaalsContact CD2-ND1 3.32Å; F39-H172 WeakPolarHBondContact CD2-ND1 3.3Å; F39-H172 HydrophobicContact CE2-CB 4.33Å; F39-H172 AromaticContact CE2-CE1 3.36Å; F39-H172 WeakPolarHBondContact CE2-CE1 3.46Å; F39-H172 AromaticContact CE2-CG 3.65Å; F39-H172 AromaticContact CE2-ND1 3.03Å; F39-H172 WeakPolarHBondContact CE2-ND1 3.47Å; F39-H172 HydrophobicContact CG-CB 4.37Å; F39-H172 AromaticContact CZ-CE1 3.93Å; F39-H172 AromaticContact CZ-ND1 3.7Å; F39-E174 HydrophobicContact CE1-CB 4.09Å; F39-E174 HydrophobicContact CZ-CB 4.3Å
40F95.6Very high93Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-79.8118.2176.7-70.3-88.3000110.8V38 L43 A55 F57 L150 L171 H172 F173 E174 V208V38-F40 HydrophobicContact CB-CE2 4.22Å; V38-F40 HydrophobicContact CG1-CD2 3.97Å; V38-F40 HydrophobicContact CG1-CE1 4.39Å; V38-F40 HydrophobicContact CG1-CE2 3.58Å; V38-F40 HydrophobicContact CG1-CZ 3.82Å; F40-L43 HydrophobicContact CD1-CD2 3.74Å; F40-L43 HydrophobicContact CD1-CG 4.47Å; F40-L43 HydrophobicContact CE1-CD2 3.95Å; F40-A55 HydrophobicContact CD1-CB 4.45Å; F40-A55 HydrophobicContact CE1-CB 4.17Å; F40-F57 HydrophobicContact CD1-CB 4.06Å; F40-F57 HydrophobicContact CE1-CB 4.45Å; F40-F57 HydrophobicContact CE1-CD1 4.26Å; F40-F57 HydrophobicContact CG-CB 4.38Å; F40-L150 HydrophobicContact CE1-CD2 4.36Å; F40-L150 HydrophobicContact CZ-CD2 3.88Å; F40-L171 HydrophobicContact CE2-CD2 4.22Å; F40-H172 PolarHBondContact N-O 3.4Å; F40-F173 HydrophobicContact CB-CD1 3.52Å; F40-F173 HydrophobicContact CB-CE1 3.77Å; F40-F173 HydrophobicContact CB-CG 4.31Å; F40-F173 HydrophobicContact CD1-CE1 4.32Å; F40-F173 AromaticContact CD2-CD1 3.86Å; F40-F173 HydrophobicContact CD2-CD1 3.86Å; F40-F173 AromaticContact CD2-CE1 3.32Å; F40-F173 HydrophobicContact CD2-CE1 3.32Å; F40-F173 HydrophobicContact CD2-CE2 4.22Å; F40-F173 AromaticContact CD2-CZ 3.53Å; F40-F173 HydrophobicContact CD2-CZ 3.53Å; F40-F173 AromaticContact CE2-CE1 3.92Å; F40-F173 HydrophobicContact CE2-CE1 3.92Å; F40-F173 AromaticContact CE2-CZ 3.79Å; F40-F173 HydrophobicContact CE2-CZ 3.79Å; F40-F173 AromaticContact CG-CD1 3.87Å; F40-F173 HydrophobicContact CG-CD1 3.87Å; F40-F173 AromaticContact CG-CE1 3.55Å; F40-F173 HydrophobicContact CG-CE1 3.55Å; F40-F173 HydrophobicContact CG-CZ 4.24Å; F40-E174 WeakPolarHBondContact O-CB 3.4Å; F40-E174 PolarHBondContact O-N 3Å; F40-V208 HydrophobicContact CE2-CG1 4.24Å; F40-V208 HydrophobicContact CZ-CG1 4.21Å
41S93.5Very high93.3Very high24 Ų2436 Ų3617%0.16819%0.19CC..EExtended strand (participates in β ladder)trans-88.5-35.2171.1-75.90000112.4Q56 E174 A177S41-Q56 PolarHBondContact N-O 2.97Å; S41-E174 WeakPolarHBondContact CA-OE2 3.46Å; S41-E174 WeakPolarHBondContact CB-OE2 3.47Å; S41-E174 PolarHBondContact OG-OE2 3.01Å; S41-A177 WeakPolarHBondContact O-CA 3.32Å
42A93.3Very high93.4Very high20 Ų2035.4 Ų35.417%0.16518%0.184CC..EExtended strand (participates in β ladder)trans-154.6133.3176.500000112.2Q56 A177A42-Q56 HydrophobicContact CB-CB 4.24Å; A42-Q56 HydrophobicContact CB-CG 4.27Å; A42-Q56 PolarHBondContact N-O 3.04Å; A42-Q56 PolarHBondContact O-N 2.7Å; A42-A177 CarbonylContact C-O 3.56Å
43L92.7Very high93.4Very high3 Ų335.6 Ų35.62%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-98113.5156.9-64.5-178.6000106.9F40 A55 F173 A177 F178 G180 L181 V186 L210F40-L43 HydrophobicContact CD1-CD2 3.74Å; F40-L43 HydrophobicContact CD1-CG 4.47Å; F40-L43 HydrophobicContact CE1-CD2 3.95Å; L43-A55 HydrophobicContact CD2-CB 3.75Å; L43-F173 HydrophobicContact CD1-CE1 4.44Å; L43-A177 PolarHBondContact N-O 2.93Å; L43-F178 HydrophobicContact CD1-CD1 4.02Å; L43-F178 HydrophobicContact CD1-CE1 4.04Å; L43-G180 CarbonylContact O-C 3.58Å; L43-G180 WeakPolarHBondContact O-CA 3.43Å; L43-L181 HydrophobicContact CB-CD1 4.22Å; L43-L181 HydrophobicContact CB-CD2 4.29Å; L43-L181 HydrophobicContact CB-CG 4.22Å; L43-V186 HydrophobicContact CD1-CG2 4.1Å; L43-L210 HydrophobicContact CD1-CD1 3.99Å; L43-L210 HydrophobicContact CD2-CD1 4.07Å
44N87.5Confident93.4Very high47 Ų4735.5 Ų35.525%0.25118%0.183SC..EExtended strand (participates in β ladder)trans-90.7167-179.9-67.7-21.9000110V46 K54 Q56 L181N44-V46 PolarHBondContact O-N 3.2Å; N44-K54 HydrophobicContact CB-CB 3.91Å; N44-K54 PolarHBondContact N-O 3.13Å; N44-Q56 PolarHBondContact ND2-NE2 3.15Å; N44-L181 WeakPolarHBondContact O-CD2 3.49Å
45A80.1Confident93.3Very high56 Ų5635.5 Ų35.546%0.46318%0.183SC..EExtended strand (participates in β ladder)trans-41.9131.5-179.400000114G180A45-G180 PolarHBondContact N-O 3.17Å
46V91.7Very high93.2Very high14 Ų1435.7 Ų35.79%0.08518%0.18CC..EExtended strand (participates in β ladder)trans-74.4137.9169.7179.60000108N44 F53 M136 L181 F184 M212N44-V46 PolarHBondContact O-N 3.2Å; V46-F53 HydrophobicContact CG2-CB 4.06Å; V46-M136 HydrophobicContact CG1-CE 3.26Å; V46-M136 HydrophobicContact CG1-SD 3.98Å; V46-L181 HydrophobicContact CG2-CD2 4.07Å; V46-F184 HydrophobicContact CB-CD2 3.95Å; V46-F184 HydrophobicContact CB-CE2 3.66Å; V46-F184 HydrophobicContact CB-CZ 4.45Å; V46-F184 HydrophobicContact CG1-CE2 3.86Å; V46-F184 HydrophobicContact CG1-CZ 4.21Å; V46-F184 HydrophobicContact CG2-CD2 3.95Å; V46-F184 HydrophobicContact CG2-CE2 4.06Å; V46-M212 HydrophobicContact CG2-CE 3.83Å; V46-M212 HydrophobicContact CG2-SD 4.01Å
47D92.4Very high93.1Very high39 Ų3935.8 Ų35.821%0.20918%0.18CC..EExtended strand (participates in β ladder)trans-110.298177.2-174.7-34.5000107.9Y49 K50 M51 E52D47-Y49 VanDerWaalsContact C-N 3.33Å; D47-Y49 PolarHBondContact OD1-N 3.25Å; D47-K50 HydrophobicContact CB-CB 4.42Å; D47-K50 PolarHBondContact O-N 2.99Å; D47-K50 WeakPolarHBondContact OD1-CB 3.49Å; D47-K50 PolarHBondContact OD1-N 3.01Å; D47-K50 IonicContact OD1-NZ 3.66Å; D47-K50 IonicContact OD2-NZ 3.53Å; D47-K50 PolarHBondContact OD2-NZ 2.87Å; D47-M51 PolarHBondContact O-N 3.23Å; D47-E52 HydrophobicContact CB-CG 3.95Å; D47-E52 PolarHBondContact N-O 3.36Å; D47-E52 PolarHBondContact O-N 3.31Å; D47-E52 VanDerWaalsContact O-N 3.13Å
48E91.7Very high93.1Very high24 Ų2438.3 Ų38.311%0.11219%0.19CC..THydrogen-bonded Turntrans-66.6-36.5-178-5990.8156.900111.4K50 M51 M136 F184 R214 L270 P271E48-K50 VanDerWaalsContact C-N 3.33Å; E48-K50 PolarHBondContact O-N 3.33Å; E48-M51 PolarHBondContact O-N 3.07Å; E48-M136 HydrophobicContact CB-SD 4.45Å; E48-M136 HydrophobicContact CG-SD 4.15Å; E48-F184 HydrophobicContact CG-CZ 4.49Å; E48-F184 VanDerWaalsContact OE1-CE2 3.32Å; E48-F184 WeakPolarHBondContact OE1-CE2 3.36Å; E48-R214 IonicContact OE1-CZ 3.2Å; E48-R214 IonicContact OE1-NH1 2.65Å; E48-R214 PolarHBondContact OE1-NH1 3.49Å; E48-R214 IonicContact OE1-NH2 3.11Å; E48-L270 HydrophobicContact CB-CD2 4.46Å; E48-P271 WeakPolarHBondContact O-CD 3.31Å; E48-P271 VanDerWaalsContact O-CG 3.28Å; E48-P271 WeakPolarHBondContact O-CG 3.12Å
49Y92Very high93.1Very high135 Ų13538.5 Ų38.553%0.52919%0.191SC..THydrogen-bonded Turntrans-62.2-39.6178.8-175.3-85.6000112D47 L270D47-Y49 VanDerWaalsContact C-N 3.33Å; D47-Y49 PolarHBondContact OD1-N 3.25Å; Y49-L270 WeakPolarHBondContact CD2-O 3.24Å
50K93.1Very high93.1Very high110 Ų11037.6 Ų37.648%0.47819%0.188SC..THydrogen-bonded Turntrans-91-5.6177.7-65.2-174-160.366.40114.2D47 E48 E52 K100D47-K50 HydrophobicContact CB-CB 4.42Å; D47-K50 PolarHBondContact O-N 2.99Å; D47-K50 WeakPolarHBondContact OD1-CB 3.49Å; D47-K50 PolarHBondContact OD1-N 3.01Å; D47-K50 IonicContact OD1-NZ 3.66Å; D47-K50 IonicContact OD2-NZ 3.53Å; D47-K50 PolarHBondContact OD2-NZ 2.87Å; E48-K50 VanDerWaalsContact C-N 3.33Å; E48-K50 PolarHBondContact O-N 3.33Å; K50-E52 HydrophobicContact CB-CG 3.78Å; K50-K100 PolarHBondContact O-NZ 3.11Å
51M93.9Very high93.2Very high47 Ų4737.8 Ų37.823%0.23219%0.188CC..THydrogen-bonded Turntrans53.956.3-173-61.2-67.6-161.100111.3D47 E48 K100 C134 M136 L138 P271D47-M51 PolarHBondContact O-N 3.23Å; E48-M51 PolarHBondContact O-N 3.07Å; M51-K100 PolarHBondContact O-NZ 3.46Å; M51-K100 VanDerWaalsContact O-NZ 3.11Å; M51-C134 CarbonylContact C-O 3.59Å; M51-C134 WeakPolarHBondContact CB-O 3.42Å; M51-C134 PolarHBondContact O-N 3.45Å; M51-M136 HydrophobicContact CE-CB 4.46Å; M51-M136 HydrophobicContact SD-CB 3.71Å; M51-M136 HydrophobicContact SD-CG 4.09Å; M51-M136 HydrophobicContact SD-SD 4.31Å; M51-L138 HydrophobicContact CE-CD1 3.95Å; M51-L138 HydrophobicContact CE-CG 4.42Å; M51-P271 HydrophobicContact CE-CB 4.31Å; M51-P271 HydrophobicContact CE-CG 3.65Å; M51-P271 HydrophobicContact SD-CG 4.39Å
52E95.2Very high93.3Very high19 Ų1938 Ų389%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-147.4159.2178.662.7-165.5-142.700113.7D47 K50 K100 T131 L132D47-E52 HydrophobicContact CB-CG 3.95Å; D47-E52 PolarHBondContact N-O 3.36Å; D47-E52 PolarHBondContact O-N 3.31Å; D47-E52 VanDerWaalsContact O-N 3.13Å; K50-E52 HydrophobicContact CB-CG 3.78Å; E52-K100 HydrophobicContact CB-CD 4.21Å; E52-K100 WeakPolarHBondContact OE2-CD 3.26Å; E52-K100 IonicContact OE2-NZ 2.65Å; E52-K100 PolarHBondContact OE2-NZ 3.02Å; E52-T131 HydrophobicContact CB-CG2 4.05Å; E52-T131 VanDerWaalsContact CD-CG2 3.41Å; E52-T131 HydrophobicContact CG-CG2 3.88Å; E52-T131 VanDerWaalsContact OE1-CG2 3.25Å; E52-T131 WeakPolarHBondContact OE1-CG2 3.28Å; E52-L132 CarbonylContact C-O 3.59Å; E52-L132 WeakPolarHBondContact CA-O 3.49Å; E52-L132 VanDerWaalsContact CB-O 3.26Å; E52-L132 WeakPolarHBondContact CB-O 3.45Å
53F94.1Very high93.4Very high5 Ų537 Ų372%0.02218%0.179CC..EExtended strand (participates in β ladder)trans-131.4158170.273.5-74.9000110.3V46 A55 T131 L132 C134 C148 L210V46-F53 HydrophobicContact CG2-CB 4.06Å; F53-A55 HydrophobicContact CD2-CB 4.5Å; F53-A55 HydrophobicContact CE2-CB 4.19Å; F53-T131 WeakPolarHBondContact O-CA 3.36Å; F53-L132 HydrophobicContact CD1-CB 3.93Å; F53-L132 HydrophobicContact CE1-CB 3.45Å; F53-L132 VanDerWaalsContact CE1-CB 3.45Å; F53-L132 HydrophobicContact CE1-CD1 4.16Å; F53-L132 HydrophobicContact CE1-CG 4.44Å; F53-L132 HydrophobicContact CE2-CB 4.48Å; F53-L132 HydrophobicContact CE2-CD1 3.83Å; F53-L132 HydrophobicContact CZ-CB 3.77Å; F53-L132 HydrophobicContact CZ-CD1 3.54Å; F53-L132 HydrophobicContact CZ-CG 4.3Å; F53-L132 PolarHBondContact N-O 3.05Å; F53-L132 PolarHBondContact O-N 3.24Å; F53-C134 HydrophobicContact CD1-CB 3.79Å; F53-C134 HydrophobicContact CE1-CB 4.19Å; F53-C148 HydrophobicContact CD1-CB 3.9Å; F53-C148 HydrophobicContact CE1-CB 3.71Å; F53-C148 HydrophobicContact CZ-CB 4.19Å; F53-L210 HydrophobicContact CE2-CD1 3.93Å; F53-L210 HydrophobicContact CZ-CD1 4.47Å
54K94.7Very high93.5Very high85 Ų8542.8 Ų42.837%0.3720%0.201SC..EExtended strand (participates in β ladder)trans-116.5121.7-178.3-73.7176.6-176.4169.30110.5N44 L130 T131N44-K54 HydrophobicContact CB-CB 3.91Å; N44-K54 PolarHBondContact N-O 3.13Å; K54-L130 WeakPolarHBondContact CA-O 3.45Å; K54-T131 HydrophobicContact CG-CG2 3.92Å
55A94.8Very high93.8Very high0 Ų040.6 Ų40.60%019%0.189CC..EExtended strand (participates in β ladder)trans-118.4135.5178.700000110.8F40 L43 F53 F57 T129 L130 L132F40-A55 HydrophobicContact CD1-CB 4.45Å; F40-A55 HydrophobicContact CE1-CB 4.17Å; L43-A55 HydrophobicContact CD2-CB 3.75Å; F53-A55 HydrophobicContact CD2-CB 4.5Å; F53-A55 HydrophobicContact CE2-CB 4.19Å; A55-F57 HydrophobicContact CB-CD1 4.03Å; A55-F57 HydrophobicContact CB-CE1 4.29Å; A55-T129 WeakPolarHBondContact O-CA 3.31Å; A55-L130 PolarHBondContact N-O 2.98Å; A55-L130 PolarHBondContact O-N 3.17Å; A55-L132 HydrophobicContact CB-CD1 4.3Å
56Q94.9Very high94.3Very high41 Ų4141.7 Ų41.719%0.19219%0.194CC..EExtended strand (participates in β ladder)trans-110121.8167.3-49.4-1570.500109.1S41 A42 N44 L128 T129S41-Q56 PolarHBondContact N-O 2.97Å; A42-Q56 HydrophobicContact CB-CB 4.24Å; A42-Q56 HydrophobicContact CB-CG 4.27Å; A42-Q56 PolarHBondContact N-O 3.04Å; A42-Q56 PolarHBondContact O-N 2.7Å; N44-Q56 PolarHBondContact ND2-NE2 3.15Å; Q56-L128 WeakPolarHBondContact CA-O 3.03Å; Q56-T129 HydrophobicContact CG-CG2 4.05Å; Q56-T129 VanDerWaalsContact CG-OG1 3.31Å; Q56-T129 WeakPolarHBondContact CG-OG1 3.11Å
57F95.4Very high94.3Very high1 Ų144.6 Ų44.60%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-147.2156.6-178.757.2-89.2000112.2V38 F39 F40 A55 F59 F96 L128 L130 L150V38-F57 HydrophobicContact CG1-CB 3.84Å; V38-F57 HydrophobicContact CG1-CD2 3.69Å; V38-F57 HydrophobicContact CG1-CE2 4.41Å; V38-F57 HydrophobicContact CG1-CG 3.87Å; F39-F57 CarbonylContact O-C 3.57Å; F39-F57 WeakPolarHBondContact O-CA 3.25Å; F39-F57 VanDerWaalsContact O-CB 3.22Å; F39-F57 WeakPolarHBondContact O-CB 3.47Å; F40-F57 HydrophobicContact CD1-CB 4.06Å; F40-F57 HydrophobicContact CE1-CB 4.45Å; F40-F57 HydrophobicContact CE1-CD1 4.26Å; F40-F57 HydrophobicContact CG-CB 4.38Å; A55-F57 HydrophobicContact CB-CD1 4.03Å; A55-F57 HydrophobicContact CB-CE1 4.29Å; F57-F59 HydrophobicContact CD2-CB 4.07Å; F57-F59 HydrophobicContact CE2-CB 3.95Å; F57-F59 HydrophobicContact CE2-CD2 4.07Å; F57-F59 HydrophobicContact CE2-CG 4.32Å; F57-F96 HydrophobicContact CE2-CE1 4.12Å; F57-F96 HydrophobicContact CE2-CZ 4.03Å; F57-F96 AromaticContact CZ-CE1 3.8Å; F57-F96 HydrophobicContact CZ-CE1 3.8Å; F57-F96 AromaticContact CZ-CZ 3.97Å; F57-F96 HydrophobicContact CZ-CZ 3.97Å; F57-L128 HydrophobicContact CE2-CB 4.33Å; F57-L128 HydrophobicContact CE2-CD1 4.09Å; F57-L128 HydrophobicContact CZ-CB 4.37Å; F57-L128 HydrophobicContact CZ-CD1 4.37Å; F57-L128 PolarHBondContact N-O 3.33Å; F57-L128 PolarHBondContact O-N 3.25Å; F57-L130 HydrophobicContact CE1-CB 4.45Å; F57-L130 HydrophobicContact CE1-CD1 4Å; F57-L130 HydrophobicContact CE1-CG 4.04Å; F57-L130 HydrophobicContact CZ-CD1 3.64Å; F57-L130 HydrophobicContact CZ-CG 4.04Å; F57-L150 HydrophobicContact CE1-CD1 3.87Å; F57-L150 HydrophobicContact CE1-CD2 4.24Å; F57-L150 HydrophobicContact CZ-CD1 3.81Å; F57-L150 HydrophobicContact CZ-CD2 4.16Å
58Q95.6Very high94.3Very high71 Ų7142.8 Ų42.833%0.33219%0.194SC..EExtended strand (participates in β ladder)trans-92125.4161.9-53.1177.3-7.500107.7F39 K126F39-Q58 HydrophobicContact CB-CB 4.2Å; F39-Q58 PolarHBondContact N-O 3.14Å; F39-Q58 PolarHBondContact O-N 2.98Å; Q58-K126 WeakPolarHBondContact CA-O 3.45Å
59F96.3Very high94.3Very high7 Ų748.2 Ų48.23%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-100.7116.8177.7-169.1-117.9000108.2V38 F57 Q61 T94 F96 N125 K126 L128 F152V38-F59 HydrophobicContact CG2-CD2 4.07Å; V38-F59 HydrophobicContact CG2-CE2 4.25Å; F57-F59 HydrophobicContact CD2-CB 4.07Å; F57-F59 HydrophobicContact CE2-CB 3.95Å; F57-F59 HydrophobicContact CE2-CD2 4.07Å; F57-F59 HydrophobicContact CE2-CG 4.32Å; F59-Q61 HydrophobicContact CD1-CG 3.94Å; F59-Q61 HydrophobicContact CE1-CG 3.54Å; F59-Q61 HydrophobicContact CZ-CG 4.08Å; F59-T94 HydrophobicContact CE1-CG2 3.98Å; F59-T94 HydrophobicContact CZ-CG2 3.89Å; F59-F96 HydrophobicContact CD1-CZ 4.45Å; F59-F96 HydrophobicContact CD2-CZ 4.29Å; F59-F96 HydrophobicContact CE1-CZ 4.44Å; F59-F96 HydrophobicContact CE2-CZ 4.33Å; F59-F96 HydrophobicContact CG-CZ 4.37Å; F59-F96 HydrophobicContact CZ-CZ 4.41Å; F59-N125 CarbonylContact O-C 3.57Å; F59-N125 VanDerWaalsContact O-CA 3.3Å; F59-N125 WeakPolarHBondContact O-CA 3.42Å; F59-K126 PolarHBondContact N-O 2.8Å; F59-K126 PolarHBondContact O-N 2.99Å; F59-L128 HydrophobicContact CB-CD1 4.17Å; F59-F152 HydrophobicContact CE2-CD1 4.17Å; F59-F152 AromaticContact CE2-CD2 3.9Å; F59-F152 HydrophobicContact CE2-CD2 3.9Å; F59-F152 HydrophobicContact CE2-CE1 4.05Å; F59-F152 AromaticContact CE2-CE2 3.75Å; F59-F152 HydrophobicContact CE2-CE2 3.75Å; F59-F152 HydrophobicContact CE2-CG 4.09Å; F59-F152 AromaticContact CE2-CZ 3.83Å; F59-F152 HydrophobicContact CE2-CZ 3.83Å; F59-F152 AromaticContact CZ-CD2 3.64Å; F59-F152 HydrophobicContact CZ-CD2 3.64Å; F59-F152 AromaticContact CZ-CE2 3.73Å; F59-F152 HydrophobicContact CZ-CE2 3.73Å; F59-F152 HydrophobicContact CZ-CG 4.1Å; F59-F152 HydrophobicContact CZ-CZ 4.3Å
60Q96.8Very high94.3Very high42 Ų4242.3 Ų42.320%0.19619%0.19CC..EExtended strand (participates in β ladder)trans-114.6133.7180-179.3161.7-44.800110.6T36 S37 E62 V123 Y124 N125T36-Q60 CarbonylContact C-O 3.54Å; T36-Q60 VanDerWaalsContact CA-O 3.32Å; T36-Q60 WeakPolarHBondContact CA-O 3.24Å; S37-Q60 PolarHBondContact N-O 2.77Å; S37-Q60 PolarHBondContact O-N 3.25Å; Q60-E62 HydrophobicContact CG-CG 4.31Å; Q60-E62 PolarHBondContact NE2-OE1 2.71Å; Q60-V123 HydrophobicContact CG-CG1 4.04Å; Q60-Y124 CarbonylContact C-O 3.55Å; Q60-Y124 WeakPolarHBondContact CA-O 3.5Å; Q60-N125 HydrophobicContact CB-CB 4.4Å; Q60-N125 HydrophobicContact CG-CB 4.45Å; Q60-N125 PolarHBondContact OE1-ND2 2.96Å
61Q97Very high94Very high3 Ų344.4 Ų44.41%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-131.9137.6-179.8-55.6-174-79.100109.4V34 S35 T36 F59 W63 T94 Y124V34-Q61 HydrophobicContact CG1-CB 4.04Å; S35-Q61 CarbonylContact O-C 3.43Å; S35-Q61 WeakPolarHBondContact O-CA 3.42Å; T36-Q61 HydrophobicContact CG2-CG 4.12Å; F59-Q61 HydrophobicContact CD1-CG 3.94Å; F59-Q61 HydrophobicContact CE1-CG 3.54Å; F59-Q61 HydrophobicContact CZ-CG 4.08Å; Q61-W63 HydrophobicContact CB-CE3 4.42Å; Q61-W63 HydrophobicContact CB-CZ3 4.2Å; Q61-T94 PolarHBondContact NE2-OG1 3.29Å; Q61-Y124 PolarHBondContact N-O 2.98Å; Q61-Y124 PolarHBondContact O-N 3.2Å
62E96.3Very high93.6Very high28 Ų2843.7 Ų43.713%0.13120%0.198CC..EExtended strand (participates in β ladder)trans-133.7127.2-176.4-46-166.2152.800109.3V34 S35 Q60 K121 V122 V123V34-E62 CarbonylContact C-O 3.52Å; V34-E62 WeakPolarHBondContact CA-O 3.28Å; S35-E62 PolarHBondContact N-O 2.95Å; S35-E62 PolarHBondContact O-N 3.23Å; Q60-E62 HydrophobicContact CG-CG 4.31Å; Q60-E62 PolarHBondContact NE2-OE1 2.71Å; E62-K121 WeakPolarHBondContact OE2-CE 3.33Å; E62-K121 IonicContact OE2-NZ 3.82Å; E62-K121 PolarHBondContact OE2-NZ 3.35Å; E62-V122 WeakPolarHBondContact CA-O 3.33Å; E62-V123 HydrophobicContact CB-CG2 4.37Å; E62-V123 HydrophobicContact CG-CB 4.47Å; E62-V123 HydrophobicContact CG-CG1 4.18Å; E62-V123 HydrophobicContact CG-CG2 3.95Å
63W95.6Very high92.9Very high1 Ų146.7 Ų46.70%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-143.4170.7175.867.295.7000109.6V32 V34 Q61 W90 V91 P92 L114 K121 V122V32-W63 HydrophobicContact CG1-CB 4.04Å; V32-W63 HydrophobicContact CG1-CG 4.48Å; V34-W63 HydrophobicContact CG2-CB 4.24Å; Q61-W63 HydrophobicContact CB-CE3 4.42Å; Q61-W63 HydrophobicContact CB-CZ3 4.2Å; W63-W90 HydrophobicContact CD2-CZ3 4.43Å; W63-W90 HydrophobicContact CG-CZ3 4.39Å; W63-W90 HydrophobicContact CZ2-CE3 4.49Å; W63-W90 WeakPolarHBondContact CZ2-O 3.28Å; W63-W90 AromaticContact NE1-CE3 3.8Å; W63-W90 AromaticContact NE1-CZ3 3.94Å; W63-V91 HydrophobicContact CH2-CB 4.47Å; W63-V91 HydrophobicContact CH2-CG1 4.33Å; W63-V91 HydrophobicContact CH2-CG2 4.25Å; W63-P92 HydrophobicContact CE3-CG 4.41Å; W63-P92 HydrophobicContact CZ3-CG 4.28Å; W63-L114 HydrophobicContact CH2-CD1 4.24Å; W63-K121 WeakPolarHBondContact O-CA 3.47Å; W63-V122 HydrophobicContact CD2-CB 4.03Å; W63-V122 HydrophobicContact CH2-CB 4.22Å; W63-V122 HydrophobicContact CH2-CG1 3.75Å; W63-V122 HydrophobicContact CZ2-CB 3.66Å; W63-V122 HydrophobicContact CZ2-CG1 3.42Å; W63-V122 VanDerWaalsContact CZ2-CG1 3.42Å; W63-V122 HydrophobicContact CZ2-CG2 4.09Å; W63-V122 HydrophobicContact CZ3-CG1 4.46Å; W63-V122 PolarHBondContact N-O 2.92Å; W63-V122 PolarHBondContact O-N 2.91Å
64Y94.3Very high92.3Very high124 Ų12452.1 Ų52.149%0.48626%0.256SS..EExtended strand (participates in β ladder)trans-107131.7173.7-69-94000109.9D119 K121Y64-D119 WeakPolarHBondContact CE1-OD2 3.24Å; Y64-K121 HydrophobicContact CD1-CB 3.91Å; Y64-K121 HydrophobicContact CE1-CB 3.65Å; Y64-K121 HydrophobicContact CE1-CD 4.36Å; Y64-K121 HydrophobicContact CE1-CG 4.14Å
65D94.1Very high91.7Very high0 Ų049 Ų490%024%0.243CC..  trans-122.2110.2169.6-169.5-18.3000109.1Y19 P25 R67 L68 G120 V122Y19-D65 VanDerWaalsContact CE2-OD2 3.31Å; Y19-D65 WeakPolarHBondContact CE2-OD2 3.34Å; Y19-D65 PolarHBondContact OH-OD2 3.39Å; P25-D65 HydrophobicContact CB-CB 4.23Å; P25-D65 HydrophobicContact CG-CB 3.97Å; D65-R67 PolarHBondContact O-N 2.85Å; D65-R67 VanDerWaalsContact OD1-CB 3.24Å; D65-R67 WeakPolarHBondContact OD1-CB 3.5Å; D65-R67 WeakPolarHBondContact OD1-CG 3.46Å; D65-R67 IonicContact OD1-CZ 3.22Å; D65-R67 PolarHBondContact OD1-N 3.34Å; D65-R67 IonicContact OD1-NE 2.71Å; D65-R67 PolarHBondContact OD1-NE 3.04Å; D65-R67 IonicContact OD1-NH2 3.31Å; D65-R67 IonicContact OD2-CZ 3.75Å; D65-R67 IonicContact OD2-NE 2.89Å; D65-R67 PolarHBondContact OD2-NE 3.42Å; D65-R67 IonicContact OD2-NH2 3.73Å; D65-R67 PolarHBondContact OD2-NH2 3.03Å; D65-L68 HydrophobicContact CB-CB 4.37Å; D65-L68 HydrophobicContact CB-CD1 4.08Å; D65-L68 HydrophobicContact CB-CG 4.19Å; D65-L68 PolarHBondContact O-N 2.97Å; D65-L68 VanDerWaalsContact O-N 3.07Å; D65-G120 PolarHBondContact N-O 2.85Å; D65-G120 WeakPolarHBondContact O-CA 3.35Å; D65-V122 HydrophobicContact CB-CG2 4.12Å
66S91.2Very high90.7Very high80 Ų8051 Ų5156%0.55926%0.263SS*.G310 helixtrans-59.8-27.1179.7530000112.9L68 R69S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 3.26Å; S66-R69 WeakPolarHBondContact O-CB 3.46Å; S66-R69 PolarHBondContact O-N 3.4Å
67R91.7Very high89.9Confident75 Ų7557.2 Ų57.228%0.28329%0.289SS..G310 helixtrans-71.7-21.3178.4-54.7171-68.2-176.10.1112.7Y19 I20 V23 D65Y19-R67 HydrophobicContact CD2-CB 3.97Å; Y19-R67 HydrophobicContact CE2-CB 3.89Å; Y19-R67 PolarHBondContact OH-NH2 3.41Å; Y19-R67 VanDerWaalsContact OH-NH2 3.07Å; I20-R67 PolarHBondContact O-NH1 2.84Å; V23-R67 PolarHBondContact O-NH1 3.29Å; V23-R67 PolarHBondContact O-NH2 3.48Å; D65-R67 PolarHBondContact O-N 2.85Å; D65-R67 VanDerWaalsContact OD1-CB 3.24Å; D65-R67 WeakPolarHBondContact OD1-CB 3.5Å; D65-R67 WeakPolarHBondContact OD1-CG 3.46Å; D65-R67 IonicContact OD1-CZ 3.22Å; D65-R67 PolarHBondContact OD1-N 3.34Å; D65-R67 IonicContact OD1-NE 2.71Å; D65-R67 PolarHBondContact OD1-NE 3.04Å; D65-R67 IonicContact OD1-NH2 3.31Å; D65-R67 IonicContact OD2-CZ 3.75Å; D65-R67 IonicContact OD2-NE 2.89Å; D65-R67 PolarHBondContact OD2-NE 3.42Å; D65-R67 IonicContact OD2-NH2 3.73Å; D65-R67 PolarHBondContact OD2-NH2 3.03Å
68L92.2Very high89.1Confident0 Ų063.5 Ų63.50%032%0.323CS..G310 helixtrans-100.38.6179.9-61178.1000112.8L16 Y19 D65 S66 F70 V89 I116 V122L16-L68 HydrophobicContact CD2-CD2 3.96Å; Y19-L68 HydrophobicContact CD2-CD2 3.65Å; Y19-L68 HydrophobicContact CD2-CG 4.24Å; Y19-L68 HydrophobicContact CE2-CD1 4.17Å; Y19-L68 HydrophobicContact CE2-CD2 3.6Å; Y19-L68 HydrophobicContact CE2-CG 3.71Å; Y19-L68 HydrophobicContact CG-CD2 4.37Å; D65-L68 HydrophobicContact CB-CB 4.37Å; D65-L68 HydrophobicContact CB-CD1 4.08Å; D65-L68 HydrophobicContact CB-CG 4.19Å; D65-L68 PolarHBondContact O-N 2.97Å; D65-L68 VanDerWaalsContact O-N 3.07Å; S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 3.26Å; L68-F70 WeakPolarHBondContact O-CD1 3.34Å; L68-V89 HydrophobicContact CD1-CB 4.33Å; L68-V89 HydrophobicContact CD1-CG1 3.87Å; L68-V89 HydrophobicContact CD2-CG1 4.32Å; L68-I116 HydrophobicContact CB-CG2 4.13Å; L68-I116 HydrophobicContact CD1-CG2 4.04Å; L68-V122 HydrophobicContact CD1-CG2 3.84Å
69R91.5Very high88.7Confident139 Ų13966.7 Ų66.753%0.52533%0.332SS..  trans-72.6138.9175.5-178.6175.4168.8157.3-6.5110.9S66 H71 S118S66-R69 WeakPolarHBondContact O-CB 3.46Å; S66-R69 PolarHBondContact O-N 3.4Å; R69-H71 PolarHBondContact NE-NE2 2.95Å; R69-H71 VanDerWaalsContact NE-NE2 3.18Å; R69-H71 PolarHBondContact NH2-NE2 3.28Å; R69-S118 WeakPolarHBondContact CG-O 3.16Å
70F90.8Very high88.4Confident11 Ų1169.4 Ų69.45%0.04834%0.343CS..  trans-144.8150.2179.460.2-90.6000113L11 L15 L68 D72 F75 I81 S118L11-F70 HydrophobicContact CD1-CB 4.29Å; L11-F70 HydrophobicContact CD1-CD2 3.67Å; L11-F70 HydrophobicContact CD1-CE2 4.26Å; L11-F70 HydrophobicContact CD1-CG 4.15Å; L11-F70 HydrophobicContact CD2-CB 3.91Å; L11-F70 HydrophobicContact CD2-CD1 3.83Å; L11-F70 HydrophobicContact CD2-CD2 3.74Å; L11-F70 HydrophobicContact CD2-CE1 4.23Å; L11-F70 HydrophobicContact CD2-CE2 4.15Å; L11-F70 HydrophobicContact CD2-CG 3.56Å; L11-F70 HydrophobicContact CD2-CZ 4.39Å; L11-F70 HydrophobicContact CG-CB 4.49Å; L11-F70 HydrophobicContact CG-CD2 4.37Å; L11-F70 HydrophobicContact CG-CG 4.44Å; L15-F70 HydrophobicContact CD1-CB 4.17Å; L15-F70 HydrophobicContact CD1-CD1 3.77Å; L15-F70 HydrophobicContact CD1-CG 4.31Å; L15-F70 HydrophobicContact CD2-CB 4.29Å; L68-F70 WeakPolarHBondContact O-CD1 3.34Å; F70-D72 HydrophobicContact CD2-CB 4.48Å; F70-F75 HydrophobicContact CE2-CB 3.78Å; F70-F75 HydrophobicContact CE2-CD2 4.46Å; F70-F75 HydrophobicContact CE2-CG 4.2Å; F70-I81 HydrophobicContact CE1-CD1 4.17Å; F70-I81 HydrophobicContact CE2-CD1 3.84Å; F70-I81 HydrophobicContact CZ-CD1 3.47Å; F70-I81 VanDerWaalsContact CZ-CD1 3.47Å; F70-I81 HydrophobicContact CZ-CG1 4.09Å; F70-S118 PolarHBondContact N-O 3.41Å
71H88.1Confident88.2Confident154 Ų15467.9 Ų67.971%0.71334%0.337SS*.  trans-118.1103.4177.4-71.3-66.6000109.6R69R69-H71 PolarHBondContact NE-NE2 2.95Å; R69-H71 VanDerWaalsContact NE-NE2 3.18Å; R69-H71 PolarHBondContact NH2-NE2 3.28Å
72D84.3Confident87.9Confident31 Ų3173 Ų7317%0.16636%0.361CS..  trans-137.6128.2175.4-175.7-60.6000109.9R7 L11 F70 Y74 F75R7-D72 IonicContact CZ-OD1 2.76Å; R7-D72 IonicContact CZ-OD2 3.21Å; R7-D72 VanDerWaalsContact CZ-OD2 3.23Å; R7-D72 IonicContact NE-OD1 2.97Å; R7-D72 PolarHBondContact NE-OD1 3.47Å; R7-D72 IonicContact NE-OD2 3.8Å; R7-D72 PolarHBondContact NE-OD2 3.08Å; R7-D72 VanDerWaalsContact NH2-CG 3.33Å; R7-D72 IonicContact NH2-OD1 3.21Å; R7-D72 PolarHBondContact NH2-OD1 2.97Å; R7-D72 IonicContact NH2-OD2 3.37Å; R7-D72 PolarHBondContact NH2-OD2 3.39Å; L11-D72 HydrophobicContact CD1-CB 3.74Å; F70-D72 HydrophobicContact CD2-CB 4.48Å; D72-Y74 PolarHBondContact O-N 3.32Å; D72-Y74 VanDerWaalsContact O-N 3.15Å; D72-Y74 WeakPolarHBondContact OD1-CB 3.39Å; D72-Y74 PolarHBondContact OD1-N 2.6Å; D72-F75 HydrophobicContact CB-CD2 4.09Å; D72-F75 PolarHBondContact O-N 2.91Å
73G82.1Confident87.7Confident83 Ų8372.6 Ų72.686%0.85636%0.359SS*.THydrogen-bonded Turntrans-64.8-15.3-175.200000115.9
74Y80.8Confident87.4Confident119 Ų11974.8 Ų74.847%0.46737%0.374SS..THydrogen-bonded Turntrans-89.9-20178-71-108.1000112.6Y3 L4 R7 D72 R79Y3-Y74 HydrophobicContact CE1-CD1 4.47Å; Y3-Y74 HydrophobicContact CE1-CE1 4.21Å; L4-Y74 HydrophobicContact CD2-CD1 4.15Å; R7-Y74 VanDerWaalsContact NH1-CE2 3.25Å; D72-Y74 PolarHBondContact O-N 3.32Å; D72-Y74 VanDerWaalsContact O-N 3.15Å; D72-Y74 WeakPolarHBondContact OD1-CB 3.39Å; D72-Y74 PolarHBondContact OD1-N 2.6Å; Y74-R79 PolarHBondContact O-NH1 2.8Å
75F81.2Confident86.9Confident20 Ų2073.4 Ų73.49%0.08838%0.383CS..SBendtrans-105.379.7177.7-66.2-75.4000109.7R7 G8 F70 D72 R79 I81R7-F75 HydrophobicContact CG-CE2 4.22Å; G8-F75 VanDerWaalsContact CA-CZ 3.46Å; F70-F75 HydrophobicContact CE2-CB 3.78Å; F70-F75 HydrophobicContact CE2-CD2 4.46Å; F70-F75 HydrophobicContact CE2-CG 4.2Å; D72-F75 HydrophobicContact CB-CD2 4.09Å; D72-F75 PolarHBondContact O-N 2.91Å; F75-R79 HydrophobicContact CD1-CB 4.42Å; F75-I81 HydrophobicContact CD1-CD1 4Å; F75-I81 HydrophobicContact CD1-CG1 3.81Å; F75-I81 HydrophobicContact CD2-CD1 4.21Å; F75-I81 HydrophobicContact CE1-CD1 3.95Å; F75-I81 HydrophobicContact CE1-CG1 3.7Å; F75-I81 HydrophobicContact CE2-CD1 4.15Å; F75-I81 HydrophobicContact CG-CD1 4.15Å; F75-I81 HydrophobicContact CG-CG1 4.43Å; F75-I81 HydrophobicContact CZ-CD1 4.03Å; F75-I81 HydrophobicContact CZ-CG1 4.22Å
76G74.6Confident86.4Confident41 Ų4179.3 Ų79.342%0.42341%0.414SS..  trans-59.4164.1172.500000112.8D78 R79G76-D78 PolarHBondContact O-N 2.92Å; G76-R79 PolarHBondContact O-N 2.99Å
77K77.1Confident86.3Confident171 Ų17177 Ų7774%0.74340%0.395SS*.THydrogen-bonded Turntrans-50.3-29.2-167.2-66-177.1179.2179.50115.7R117K77-R117 WeakPolarHBondContact O-CD 3.33Å; K77-R117 WeakPolarHBondContact O-CG 3.44Å
78D80Confident86.2Confident133 Ų13378.4 Ų78.471%0.71141%0.407SS*.THydrogen-bonded Turntrans-99.7-1-175.4-51.9-57.5000114.1G76G76-D78 PolarHBondContact O-N 2.92Å
79R87.1Confident86.3Confident139 Ų13979 Ų7953%0.52541%0.411SS..PPolyproline II helixtrans-87.2128.5179.2-70.5-174.9172.2175.5-4.2111.1Y74 F75 G76Y74-R79 PolarHBondContact O-NH1 2.8Å; F75-R79 HydrophobicContact CD1-CB 4.42Å; G76-R79 PolarHBondContact O-N 2.99Å
80F90.7Very high86.4Confident63 Ų6372.8 Ų72.828%0.27639%0.388SS..EExtended strand (participates in β ladder)trans-98.6142.3172.6-69.3-93.3000111K115 I116 R117 V123F80-K115 HydrophobicContact CB-CB 4.11Å; F80-K115 HydrophobicContact CB-CD 3.89Å; F80-K115 HydrophobicContact CB-CG 4.16Å; F80-K115 HydrophobicContact CD1-CB 4.26Å; F80-K115 HydrophobicContact CD1-CD 3.8Å; F80-K115 HydrophobicContact CD1-CG 3.66Å; F80-K115 HydrophobicContact CE1-CD 4.44Å; F80-K115 HydrophobicContact CE1-CG 4.34Å; F80-K115 HydrophobicContact CG-CD 3.82Å; F80-K115 HydrophobicContact CG-CG 4.12Å; F80-I116 CarbonylContact C-O 3.53Å; F80-I116 VanDerWaalsContact CA-O 3.32Å; F80-I116 WeakPolarHBondContact CA-O 3.27Å; F80-R117 HydrophobicContact CD1-CB 3.84Å; F80-R117 HydrophobicContact CE1-CB 3.74Å; F80-R117 HydrophobicContact CE1-CG 4.4Å; F80-R117 HydrophobicContact CG-CB 4.49Å; F80-R117 HydrophobicContact CZ-CB 4.3Å; F80-R117 HydrophobicContact CZ-CG 4.49Å; F80-V123 HydrophobicContact CE1-CB 4.47Å; F80-V123 HydrophobicContact CE1-CG2 3.72Å; F80-V123 HydrophobicContact CZ-CG2 4.21Å
81I91.8Very high86.6Confident10 Ų1074.5 Ų74.55%0.05140%0.399CS..EExtended strand (participates in β ladder)trans-101.6124.8168.3-53.6175.3000107.5L11 V12 F70 F75 K115 I116L11-I81 HydrophobicContact CD2-CD1 4.05Å; V12-I81 HydrophobicContact CG2-CB 4.37Å; V12-I81 HydrophobicContact CG2-CG2 3.66Å; F70-I81 HydrophobicContact CE1-CD1 4.17Å; F70-I81 HydrophobicContact CE2-CD1 3.84Å; F70-I81 HydrophobicContact CZ-CD1 3.47Å; F70-I81 VanDerWaalsContact CZ-CD1 3.47Å; F70-I81 HydrophobicContact CZ-CG1 4.09Å; F75-I81 HydrophobicContact CD1-CD1 4Å; F75-I81 HydrophobicContact CD1-CG1 3.81Å; F75-I81 HydrophobicContact CD2-CD1 4.21Å; F75-I81 HydrophobicContact CE1-CD1 3.95Å; F75-I81 HydrophobicContact CE1-CG1 3.7Å; F75-I81 HydrophobicContact CE2-CD1 4.15Å; F75-I81 HydrophobicContact CG-CD1 4.15Å; F75-I81 HydrophobicContact CG-CG1 4.43Å; F75-I81 HydrophobicContact CZ-CD1 4.03Å; F75-I81 HydrophobicContact CZ-CG1 4.22Å; I81-K115 CarbonylContact O-C 3.57Å; I81-K115 WeakPolarHBondContact O-CA 3.26Å; I81-I116 PolarHBondContact N-O 3.44Å; I81-I116 PolarHBondContact O-N 3.44Å
82H91.6Very high87Confident112 Ų11267.6 Ų67.652%0.51937%0.368SS..EExtended strand (participates in β ladder)trans-77.4133175.3-71.8-100.5000110.6Q9Q9-H82 PolarHBondContact NE2-O 2.74Å
83L92Very high87.4Confident19 Ų1968.3 Ų68.310%0.09937%0.372CS..EExtended strand (participates in β ladder)trans-87.7139.7172-93.653.6000110V12 Q87 V89 L114 I116V12-L83 HydrophobicContact CB-CD1 4.47Å; V12-L83 HydrophobicContact CG1-CD1 3.78Å; V12-L83 HydrophobicContact CG1-CD2 4.48Å; V12-L83 HydrophobicContact CG1-CG 3.93Å; V12-L83 HydrophobicContact CG2-CD1 3.78Å; L83-Q87 VanDerWaalsContact CA-OE1 3.3Å; L83-Q87 HydrophobicContact CB-CB 4.16Å; L83-Q87 HydrophobicContact CD2-CB 4.25Å; L83-Q87 HydrophobicContact CG-CB 3.96Å; L83-V89 HydrophobicContact CD2-CG1 3.69Å; L83-V89 HydrophobicContact CD2-CG2 4.49Å; L83-L114 HydrophobicContact CB-CD2 4.09Å; L83-L114 HydrophobicContact CD2-CD2 3.53Å; L83-L114 HydrophobicContact CG-CD2 4.29Å; L83-L114 PolarHBondContact N-O 2.89Å; L83-I116 HydrophobicContact CD1-CD1 3.7Å; L83-I116 HydrophobicContact CD1-CG1 3.4Å; L83-I116 VanDerWaalsContact CD1-CG1 3.4Å; L83-I116 HydrophobicContact CD2-CD1 4.38Å; L83-I116 HydrophobicContact CD2-CG1 4.35Å
84S87.9Confident88.1Confident46 Ų4665.6 Ų65.632%0.32234%0.338SS..PPolyproline II helixtrans-78.6159.4171.152.80000110.6D86 Q87S84-D86 WeakPolarHBondContact CB-OD1 3.38Å; S84-D86 PolarHBondContact O-N 2.82Å; S84-D86 VanDerWaalsContact O-N 3.11Å; S84-D86 PolarHBondContact OG-OD1 3.47Å; S84-Q87 WeakPolarHBondContact O-CB 3.16Å; S84-Q87 PolarHBondContact O-N 3.45Å; S84-Q87 WeakPolarHBondContact OG-CG 3.34Å; S84-Q87 PolarHBondContact OG-NE2 3.39Å; S84-Q87 PolarHBondContact OG-OE1 3.24Å
85S83.7Confident88.8Confident95 Ų9563.5 Ų63.566%0.66433%0.332SS*.THydrogen-bonded Turntrans-68.2-12.8-170.2-49.30000115
86D84.9Confident89.5Confident124 Ų12463.5 Ų63.566%0.66333%0.332SS*.THydrogen-bonded Turntrans-83.8-15.5171.260.6-48.4000113.4S84 L88S84-D86 WeakPolarHBondContact CB-OD1 3.38Å; S84-D86 PolarHBondContact O-N 2.82Å; S84-D86 VanDerWaalsContact O-N 3.11Å; S84-D86 PolarHBondContact OG-OD1 3.47Å; D86-L88 PolarHBondContact O-N 3.2Å
87Q88.4Confident90.4Very high32 Ų3264.5 Ų64.515%0.1533%0.331CS..  trans-87.286.1-178.4-69.5172.3-1400110.5V12 L16 L83 S84V12-Q87 HydrophobicContact CG1-CG 4.46Å; L16-Q87 HydrophobicContact CD1-CB 3.7Å; L16-Q87 HydrophobicContact CD1-CG 3.99Å; L83-Q87 VanDerWaalsContact CA-OE1 3.3Å; L83-Q87 HydrophobicContact CB-CB 4.16Å; L83-Q87 HydrophobicContact CD2-CB 4.25Å; L83-Q87 HydrophobicContact CG-CB 3.96Å; S84-Q87 WeakPolarHBondContact O-CB 3.16Å; S84-Q87 PolarHBondContact O-N 3.45Å; S84-Q87 WeakPolarHBondContact OG-CG 3.34Å; S84-Q87 PolarHBondContact OG-NE2 3.39Å; S84-Q87 PolarHBondContact OG-OE1 3.24Å
88L89.6Confident91.3Very high104 Ų10458.4 Ų58.455%0.54531%0.306SS..  trans-70.5128.4-179.5-58.9179.4000111.9F21 D86F21-L88 HydrophobicContact CB-CB 4.42Å; F21-L88 HydrophobicContact CD1-CB 4.28Å; F21-L88 HydrophobicContact CD1-CD1 4.45Å; F21-L88 HydrophobicContact CE1-CD1 4.21Å; F21-L88 HydrophobicContact CG-CB 4.21Å; F21-L88 HydrophobicContact CZ-CD1 4.27Å; D86-L88 PolarHBondContact O-N 3.2Å
89V93.7Very high92Very high14 Ų1456.2 Ų56.29%0.08529%0.292CS..  trans-125.6166.1166.7-67.60000109.8L16 Y19 L68 L83 V91 L114L16-V89 HydrophobicContact CD2-CG1 3.72Å; Y19-V89 HydrophobicContact CE1-CB 4.07Å; Y19-V89 HydrophobicContact CE1-CG1 4.24Å; L68-V89 HydrophobicContact CD1-CB 4.33Å; L68-V89 HydrophobicContact CD1-CG1 3.87Å; L68-V89 HydrophobicContact CD2-CG1 4.32Å; L83-V89 HydrophobicContact CD2-CG1 3.69Å; L83-V89 HydrophobicContact CD2-CG2 4.49Å; V89-V91 HydrophobicContact CG2-CG2 4.34Å; V89-L114 HydrophobicContact CG2-CD1 3.41Å; V89-L114 VanDerWaalsContact CG2-CD1 3.41Å; V89-L114 HydrophobicContact CG2-CD2 3.58Å; V89-L114 HydrophobicContact CG2-CG 4.15Å
90W94.9Very high92.4Very high8 Ų853.8 Ų53.83%0.0329%0.285CS..  trans-64.8136.7170-179.888.3000109.6Y19 F21 R24 P25 V32 W63 P92 Y157 I162Y19-W90 WeakPolarHBondContact OH-CB 3.34Å; Y19-W90 PolarHBondContact OH-N 2.9Å; Y19-W90 VanDerWaalsContact OH-N 3.13Å; F21-W90 WeakPolarHBondContact O-CA 3.36Å; F21-W90 WeakPolarHBondContact O-CB 3.35Å; R24-W90 HydrophobicContact CB-CZ2 4.11Å; R24-W90 HydrophobicContact CG-CH2 4.29Å; R24-W90 HydrophobicContact CG-CZ2 3.86Å; P25-W90 HydrophobicContact CG-CD2 4.39Å; P25-W90 HydrophobicContact CG-CE3 3.86Å; P25-W90 HydrophobicContact CG-CZ3 4.15Å; V32-W90 HydrophobicContact CG1-CH2 4.39Å; V32-W90 HydrophobicContact CG1-CZ3 4.34Å; W63-W90 HydrophobicContact CD2-CZ3 4.43Å; W63-W90 HydrophobicContact CG-CZ3 4.39Å; W63-W90 HydrophobicContact CZ2-CE3 4.49Å; W63-W90 WeakPolarHBondContact CZ2-O 3.28Å; W63-W90 AromaticContact NE1-CE3 3.8Å; W63-W90 AromaticContact NE1-CZ3 3.94Å; W90-P92 HydrophobicContact CH2-CB 4.12Å; W90-Y157 HydrophobicContact CZ2-CD2 4.42Å; W90-Y157 AromaticContact CZ2-CE2 3.87Å; W90-Y157 HydrophobicContact CZ2-CE2 3.87Å; W90-Y157 AromaticContact NE1-CE2 3.94Å; W90-Y157 AromaticContact NE1-CZ 3.79Å; W90-Y157 PolarHBondContact NE1-OH 3.07Å; W90-Y157 VanDerWaalsContact NE1-OH 3.1Å; W90-I162 HydrophobicContact CH2-CD1 3.74Å; W90-I162 HydrophobicContact CH2-CG1 4.37Å; W90-I162 HydrophobicContact CZ2-CD1 3.77Å
91V94.6Very high92.6Very high47 Ų4758 Ų5829%0.28530%0.303SS..  trans-134.7138.8177.6178.90000107W63 V89 L114 Y124W63-V91 HydrophobicContact CH2-CB 4.47Å; W63-V91 HydrophobicContact CH2-CG1 4.33Å; W63-V91 HydrophobicContact CH2-CG2 4.25Å; V89-V91 HydrophobicContact CG2-CG2 4.34Å; V91-L114 HydrophobicContact CG2-CD1 3.94Å; V91-Y124 HydrophobicContact CG1-CD1 3.74Å; V91-Y124 HydrophobicContact CG1-CE1 3.62Å; V91-Y124 HydrophobicContact CG1-CG 4.27Å
92P95.5Very high92.7Very high9 Ų959.6 Ų59.66%0.05832%0.322CS..  trans-59.1142.2176.624.9-35.5000111.9V34 W63 W90 T94 I162 Y164V34-P92 HydrophobicContact CG1-CG 4.21Å; V34-P92 HydrophobicContact CG2-CB 4.47Å; W63-P92 HydrophobicContact CE3-CG 4.41Å; W63-P92 HydrophobicContact CZ3-CG 4.28Å; W90-P92 HydrophobicContact CH2-CB 4.12Å; P92-T94 PolarHBondContact O-N 3.22Å; P92-I162 HydrophobicContact CB-CD1 4.28Å; P92-Y164 HydrophobicContact CB-CE1 4.45Å
93D94.1Very high92.7Very high46 Ų4656.7 Ų56.725%0.24632%0.318CS..  trans-83.546-176.366-17.7000112.5F95 S154 Y155 A156 Y157D93-F95 PolarHBondContact O-N 3.44Å; D93-S154 WeakPolarHBondContact OD1-CB 3.26Å; D93-S154 PolarHBondContact OD1-OG 2.89Å; D93-S154 PolarHBondContact OD2-OG 3.3Å; D93-Y155 PolarHBondContact O-N 3.29Å; D93-Y155 PolarHBondContact OD2-N 3.29Å; D93-A156 WeakPolarHBondContact OD2-CB 3.28Å; D93-A156 PolarHBondContact OD2-N 3.26Å; D93-Y157 WeakPolarHBondContact OD1-CD2 3.19Å
94T95.9Very high92.7Very high25 Ų2563.3 Ų63.315%0.15334%0.342CS..EExtended strand (participates in β ladder)trans-67.9123.3-175.3-46.50000111.5F59 Q61 P92 F152 V153 Y164F59-T94 HydrophobicContact CE1-CG2 3.98Å; F59-T94 HydrophobicContact CZ-CG2 3.89Å; Q61-T94 PolarHBondContact NE2-OG1 3.29Å; P92-T94 PolarHBondContact O-N 3.22Å; T94-F152 HydrophobicContact CG2-CB 3.84Å; T94-F152 HydrophobicContact CG2-CD2 3.89Å; T94-F152 HydrophobicContact CG2-CG 4.31Å; T94-V153 WeakPolarHBondContact CA-O 3.41Å; T94-Y164 HydrophobicContact CG2-CE1 4.41Å; T94-Y164 WeakPolarHBondContact OG1-CE1 3.49Å; T94-Y164 PolarHBondContact OG1-OH 3.12Å
95F95Very high92.9Very high75 Ų7563.1 Ų63.133%0.32934%0.337SS..EExtended strand (participates in β ladder)trans-121.7162.7173.684.3-74.5000111.1D93 P97 F152 V153 S154 Y155D93-F95 PolarHBondContact O-N 3.44Å; F95-P97 HydrophobicContact CE2-CB 3.85Å; F95-P97 HydrophobicContact CZ-CB 4.33Å; F95-F152 VanDerWaalsContact O-CA 3.31Å; F95-F152 WeakPolarHBondContact O-CA 3.44Å; F95-V153 HydrophobicContact CD1-CB 4.39Å; F95-V153 VanDerWaalsContact CD1-O 3.26Å; F95-V153 WeakPolarHBondContact CD1-O 3.49Å; F95-V153 HydrophobicContact CE1-CB 3.83Å; F95-V153 HydrophobicContact CE1-CG1 4.34Å; F95-V153 HydrophobicContact CZ-CB 4.36Å; F95-V153 PolarHBondContact N-O 3.06Å; F95-V153 PolarHBondContact O-N 3.04Å; F95-S154 WeakPolarHBondContact CE1-O 3.49Å; F95-Y155 AromaticContact CD1-CD2 3.94Å; F95-Y155 HydrophobicContact CD1-CD2 3.94Å; F95-Y155 HydrophobicContact CD1-CG 4.36Å; F95-Y155 HydrophobicContact CD2-CD2 4.48Å; F95-Y155 AromaticContact CE1-CD2 4Å; F95-Y155 HydrophobicContact CE1-CD2 4Å; F95-Y155 HydrophobicContact CG-CD2 4.2Å; F95-Y155 HydrophobicContact CZ-CD2 4.29Å
96F96Very high93.2Very high21 Ų2164.1 Ų64.19%0.09233%0.334CS..  trans-111.398.2-176.6-62.2-91.4000108.6F57 F59 N98 E99 L128 L130 L150 D151 F152F57-F96 HydrophobicContact CE2-CE1 4.12Å; F57-F96 HydrophobicContact CE2-CZ 4.03Å; F57-F96 AromaticContact CZ-CE1 3.8Å; F57-F96 HydrophobicContact CZ-CE1 3.8Å; F57-F96 AromaticContact CZ-CZ 3.97Å; F57-F96 HydrophobicContact CZ-CZ 3.97Å; F59-F96 HydrophobicContact CD1-CZ 4.45Å; F59-F96 HydrophobicContact CD2-CZ 4.29Å; F59-F96 HydrophobicContact CE1-CZ 4.44Å; F59-F96 HydrophobicContact CE2-CZ 4.33Å; F59-F96 HydrophobicContact CG-CZ 4.37Å; F59-F96 HydrophobicContact CZ-CZ 4.41Å; F96-N98 PolarHBondContact O-N 3.39Å; F96-N98 VanDerWaalsContact O-N 3.08Å; F96-E99 HydrophobicContact CB-CB 3.89Å; F96-E99 WeakPolarHBondContact O-CB 3.16Å; F96-E99 PolarHBondContact O-N 3.01Å; F96-L128 HydrophobicContact CE2-CD1 3.7Å; F96-L128 HydrophobicContact CZ-CD1 3.83Å; F96-L130 HydrophobicContact CB-CD1 4.02Å; F96-L130 HydrophobicContact CD1-CD1 3.64Å; F96-L130 HydrophobicContact CD2-CD1 3.57Å; F96-L130 HydrophobicContact CE1-CD1 3.96Å; F96-L130 HydrophobicContact CE2-CD1 3.9Å; F96-L130 HydrophobicContact CG-CD1 3.45Å; F96-L130 VanDerWaalsContact CG-CD1 3.45Å; F96-L130 HydrophobicContact CZ-CD1 4.09Å; F96-L150 HydrophobicContact CD1-CD1 3.75Å; F96-L150 HydrophobicContact CE1-CD1 3.96Å; F96-D151 WeakPolarHBondContact CA-O 3.46Å; F96-D151 WeakPolarHBondContact CD1-O 3.5Å; F96-F152 HydrophobicContact CD1-CB 3.74Å; F96-F152 HydrophobicContact CE1-CB 3.73Å; F96-F152 HydrophobicContact CE1-CD1 4.27Å; F96-F152 HydrophobicContact CE1-CG 4.27Å; F96-F152 HydrophobicContact CG-CB 4.45Å; F96-F152 HydrophobicContact CZ-CB 4.42Å
97P94.4Very high93.4Very high61 Ų6165.1 Ų65.140%0.39634%0.338SS..THydrogen-bonded Turntrans-61.2-22.3-173.523-35.5000114.4F95 D151 V153F95-P97 HydrophobicContact CE2-CB 3.85Å; F95-P97 HydrophobicContact CZ-CB 4.33Å; P97-D151 WeakPolarHBondContact CD-O 3.28Å; P97-D151 HydrophobicContact CG-CB 3.97Å; P97-V153 HydrophobicContact CG-CG2 3.87Å
98N94.7Very high93.3Very high43 Ų4370.5 Ų70.523%0.2337%0.368CS..THydrogen-bonded Turntrans-90.94.6178.1-55.9-14.7000112.7F96 L132 A133 Y149 D151F96-N98 PolarHBondContact O-N 3.39Å; F96-N98 VanDerWaalsContact O-N 3.08Å; N98-L132 HydrophobicContact CB-CD2 4.36Å; N98-L132 CarbonylContact O-C 3.55Å; N98-L132 WeakPolarHBondContact O-CA 3.38Å; N98-A133 PolarHBondContact O-N 3.46Å; N98-Y149 PolarHBondContact ND2-O 3.23Å; N98-D151 PolarHBondContact ND2-OD2 2.65Å
99E96.2Very high93.3Very high88 Ų8875.2 Ų75.241%0.41138%0.379SS..EExtended strand (participates in β ladder)trans-74.1128.2-178.9-175.3-106.4128.400112F96 K101 G102 L130 L132F96-E99 HydrophobicContact CB-CB 3.89Å; F96-E99 WeakPolarHBondContact O-CB 3.16Å; F96-E99 PolarHBondContact O-N 3.01Å; E99-K101 WeakPolarHBondContact OE1-CA 3.37Å; E99-K101 PolarHBondContact OE1-N 3.13Å; E99-G102 PolarHBondContact OE1-N 3.15Å; E99-L130 HydrophobicContact CG-CD2 4.32Å; E99-L132 HydrophobicContact CB-CD2 4.43Å
100K95Very high93.2Very high88 Ų8877.1 Ų77.138%0.38339%0.391SS..EExtended strand (participates in β ladder)trans-100.3-37.7170.5-72.7173.3166174.30112.5K50 M51 E52 T131 A133K50-K100 PolarHBondContact O-NZ 3.11Å; M51-K100 PolarHBondContact O-NZ 3.46Å; M51-K100 VanDerWaalsContact O-NZ 3.11Å; E52-K100 HydrophobicContact CB-CD 4.21Å; E52-K100 WeakPolarHBondContact OE2-CD 3.26Å; E52-K100 IonicContact OE2-NZ 2.65Å; E52-K100 PolarHBondContact OE2-NZ 3.02Å; K100-T131 PolarHBondContact N-O 3.35Å; K100-A133 HydrophobicContact CD-CB 4.27Å; K100-A133 HydrophobicContact CG-CB 4.3Å
101K95.1Very high93Very high151 Ų15179.9 Ų79.966%0.65741%0.407SS*.EExtended strand (participates in β ladder)trans-150.3110.9178.1-61.1-174.7179.7177.90111.5E99 T131E99-K101 WeakPolarHBondContact OE1-CA 3.37Å; E99-K101 PolarHBondContact OE1-N 3.13Å; K101-T131 PolarHBondContact N-O 3.36Å; K101-T131 WeakPolarHBondContact O-CB 3.33Å; K101-T131 PolarHBondContact O-N 2.81Å; K101-T131 PolarHBondContact O-OG1 2.99Å
102G92.9Very high92.9Very high44 Ų4481.1 Ų81.145%0.45441%0.409SS..EExtended strand (participates in β ladder)trans-96.314117100000113.1E99E99-G102 PolarHBondContact OE1-N 3.15Å
103A91.7Very high92.8Very high51 Ų5184.2 Ų84.242%0.42142%0.422SS..EExtended strand (participates in β ladder)trans-125.2127.4172.600000110.9T129A103-T129 PolarHBondContact N-O 3.17Å; A103-T129 PolarHBondContact O-N 3.43Å; A103-T129 VanDerWaalsContact O-N 3.16Å
104Y91.6Very high92.9Very high157 Ų15783 Ų8362%0.61642%0.415SS*.EExtended strand (participates in β ladder)trans-86137.4169.6-62.1-61.1000110.4L106 K126 L128Y104-L106 PolarHBondContact O-N 3.48Å; Y104-K126 VanDerWaalsContact CE1-CE 3.48Å; Y104-L128 HydrophobicContact CD1-CD2 3.67Å; Y104-L128 HydrophobicContact CE1-CD2 3.67Å
105H92.7Very high92.8Very high43 Ų4383.8 Ų83.820%0.19942%0.417CS..  trans-88.4108.8175.9-63.6-102.1000109.4N111 R127 T129H105-N111 HydrophobicContact CB-CB 3.99Å; H105-N111 WeakPolarHBondContact CB-ND2 3.43Å; H105-N111 PolarHBondContact O-N 3.31Å; H105-R127 PolarHBondContact CD2-O 3.49Å; H105-T129 PolarHBondContact CE1-OG1 2.76Å; H105-T129 VanDerWaalsContact CE1-OG1 3.27Å; H105-T129 PolarHBondContact NE2-OG1 3.42Å
106L90.6Very high92.8Very high116 Ų11680.3 Ų80.361%0.60740%0.401SS*.  trans-110.2-2.6-173.1-59.2178.2000114.6Y104 D108 R109 P110Y104-L106 PolarHBondContact O-N 3.48Å; L106-D108 CarbonylContact O-C 3.21Å; L106-R109 CarbonylContact C-O 3.59Å; L106-R109 VanDerWaalsContact C-O 3.29Å; L106-R109 CarbonylContact O-C 3.51Å; L106-R109 WeakPolarHBondContact O-CA 3.42Å; L106-R109 PolarHBondContact O-N 3.02Å; L106-P110 HydrophobicContact CD2-CB 4.05Å; L106-P110 HydrophobicContact CD2-CG 4.11Å
107L88.6Confident92.7Very high144 Ų14481.4 Ų81.475%0.75441%0.405SS*.SBendtrans-102.3130.9-173.4-172.675.9000111.5R109L107-R109 VanDerWaalsContact C-N 3.27Å
108D87.3Confident92.6Very high146 Ų14679.2 Ų79.278%0.78139%0.391SS*.SBendcis-78.5-10.5-13.2-67.2-36000112.7L106L106-D108 CarbonylContact O-C 3.21Å
109R89.1Confident92.4Very high203 Ų20379.9 Ų79.977%0.76640%0.395SS*.SBendtrans-136.4161.2173.3-68.4-65.2-173.8160.7-0.6108.8L106 L107 N111L106-R109 CarbonylContact C-O 3.59Å; L106-R109 VanDerWaalsContact C-O 3.29Å; L106-R109 CarbonylContact O-C 3.51Å; L106-R109 WeakPolarHBondContact O-CA 3.42Å; L106-R109 PolarHBondContact O-N 3.02Å; L107-R109 VanDerWaalsContact C-N 3.27Å; R109-N111 PolarHBondContact O-N 3.46Å; R109-N111 VanDerWaalsContact O-N 3.14Å
110P90.5Very high92.2Very high54 Ų5475.7 Ų75.735%0.35138%0.375SS..  trans-54.7119.7173.1-25.134.9000111.5L106 Q112L106-P110 HydrophobicContact CD2-CB 4.05Å; L106-P110 HydrophobicContact CD2-CG 4.11Å; P110-Q112 HydrophobicContact CB-CG 4.26Å; P110-Q112 PolarHBondContact O-N 2.84Å
111N91.4Very high92.2Very high66 Ų6673.1 Ų73.135%0.35336%0.364SS..SBendtrans-77.965.8-179.9-73.3-32.3000111H105 R109 R127H105-N111 HydrophobicContact CB-CB 3.99Å; H105-N111 WeakPolarHBondContact CB-ND2 3.43Å; H105-N111 PolarHBondContact O-N 3.31Å; R109-N111 PolarHBondContact O-N 3.46Å; R109-N111 VanDerWaalsContact O-N 3.14Å; N111-R127 HydrophobicContact CB-CB 3.89Å; N111-R127 PolarHBondContact O-N 2.72Å
112Q93.3Very high92.2Very high73 Ų7365.9 Ų65.934%0.34133%0.333SS..EExtended strand (participates in β ladder)trans-140.9146.8172.667.2-173.217.800109.3P110 Y124 N125 K126P110-Q112 HydrophobicContact CB-CG 4.26Å; P110-Q112 PolarHBondContact O-N 2.84Å; Q112-Y124 HydrophobicContact CB-CE2 4.48Å; Q112-N125 CarbonylContact C-O 3.53Å; Q112-N125 WeakPolarHBondContact CA-O 3.42Å; Q112-K126 HydrophobicContact CB-CB 4.11Å; Q112-K126 HydrophobicContact CB-CD 4.11Å; Q112-K126 HydrophobicContact CB-CG 3.97Å; Q112-K126 VanDerWaalsContact OE1-CE 3.28Å
113F93.3Very high92.3Very high73 Ų7363.8 Ų63.832%0.3231%0.311SS..EExtended strand (participates in β ladder)trans-133.5150.5166.466.3-103.2000110.3K115 V123 N125F113-K115 HydrophobicContact CD2-CD 4.29Å; F113-K115 HydrophobicContact CD2-CG 4.36Å; F113-K115 HydrophobicContact CE2-CD 3.97Å; F113-K115 HydrophobicContact CE2-CG 4.34Å; F113-V123 HydrophobicContact CE2-CG1 4.42Å; F113-N125 HydrophobicContact CD1-CB 4.02Å; F113-N125 HydrophobicContact CD2-CB 4.16Å; F113-N125 HydrophobicContact CE1-CB 3.5Å; F113-N125 HydrophobicContact CE2-CB 3.63Å; F113-N125 HydrophobicContact CG-CB 4.33Å; F113-N125 HydrophobicContact CZ-CB 3.29Å; F113-N125 PolarHBondContact N-O 3.33Å; F113-N125 PolarHBondContact O-N 3.32Å
114L95.1Very high92.5Very high21 Ų2163.1 Ų63.111%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-128.3137.1168-167.9142.4000108.2W63 L83 V89 V91 V122 V123 Y124W63-L114 HydrophobicContact CH2-CD1 4.24Å; L83-L114 HydrophobicContact CB-CD2 4.09Å; L83-L114 HydrophobicContact CD2-CD2 3.53Å; L83-L114 HydrophobicContact CG-CD2 4.29Å; L83-L114 PolarHBondContact N-O 2.89Å; V89-L114 HydrophobicContact CG2-CD1 3.41Å; V89-L114 VanDerWaalsContact CG2-CD1 3.41Å; V89-L114 HydrophobicContact CG2-CD2 3.58Å; V89-L114 HydrophobicContact CG2-CG 4.15Å; V91-L114 HydrophobicContact CG2-CD1 3.94Å; L114-V122 HydrophobicContact CD1-CG1 4.05Å; L114-V122 HydrophobicContact CD2-CG1 3.75Å; L114-V122 HydrophobicContact CG-CG1 3.86Å; L114-V123 WeakPolarHBondContact CA-O 3.3Å; L114-Y124 HydrophobicContact CB-CD2 4.4Å; L114-Y124 HydrophobicContact CD1-CD2 4.07Å; L114-Y124 HydrophobicContact CD1-CG 4.42Å
115K94.4Very high92.7Very high42 Ų4256.2 Ų56.218%0.18327%0.272CS..EExtended strand (participates in β ladder)trans-142.7141.2-177.565.4-178.4-174.9-176.10110.6F80 I81 F113 V123F80-K115 HydrophobicContact CB-CB 4.11Å; F80-K115 HydrophobicContact CB-CD 3.89Å; F80-K115 HydrophobicContact CB-CG 4.16Å; F80-K115 HydrophobicContact CD1-CB 4.26Å; F80-K115 HydrophobicContact CD1-CD 3.8Å; F80-K115 HydrophobicContact CD1-CG 3.66Å; F80-K115 HydrophobicContact CE1-CD 4.44Å; F80-K115 HydrophobicContact CE1-CG 4.34Å; F80-K115 HydrophobicContact CG-CD 3.82Å; F80-K115 HydrophobicContact CG-CG 4.12Å; I81-K115 CarbonylContact O-C 3.57Å; I81-K115 WeakPolarHBondContact O-CA 3.26Å; F113-K115 HydrophobicContact CD2-CD 4.29Å; F113-K115 HydrophobicContact CD2-CG 4.36Å; F113-K115 HydrophobicContact CE2-CD 3.97Å; F113-K115 HydrophobicContact CE2-CG 4.34Å; K115-V123 HydrophobicContact CD-CB 4.4Å; K115-V123 HydrophobicContact CG-CB 3.85Å; K115-V123 HydrophobicContact CG-CG1 4.5Å; K115-V123 PolarHBondContact N-O 3.37Å; K115-V123 PolarHBondContact O-N 3.06Å
116I94.5Very high92.8Very high1 Ų155.9 Ų55.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-115.9145.7177.818164.2000112.1V12 L15 L68 F80 I81 L83 K121 V122V12-I116 HydrophobicContact CG2-CD1 4.2Å; L15-I116 HydrophobicContact CD1-CD1 4.33Å; L68-I116 HydrophobicContact CB-CG2 4.13Å; L68-I116 HydrophobicContact CD1-CG2 4.04Å; F80-I116 CarbonylContact C-O 3.53Å; F80-I116 VanDerWaalsContact CA-O 3.32Å; F80-I116 WeakPolarHBondContact CA-O 3.27Å; I81-I116 PolarHBondContact N-O 3.44Å; I81-I116 PolarHBondContact O-N 3.44Å; L83-I116 HydrophobicContact CD1-CD1 3.7Å; L83-I116 HydrophobicContact CD1-CG1 3.4Å; L83-I116 VanDerWaalsContact CD1-CG1 3.4Å; L83-I116 HydrophobicContact CD2-CD1 4.38Å; L83-I116 HydrophobicContact CD2-CG1 4.35Å; I116-K121 WeakPolarHBondContact CA-O 3.35Å; I116-V122 HydrophobicContact CG2-CB 4.16Å; I116-V122 HydrophobicContact CG2-CG1 4.23Å; I116-V122 HydrophobicContact CG2-CG2 3.7Å
117R93.5Very high93.1Very high45 Ų4554.4 Ų54.417%0.1726%0.256CS..EExtended strand (participates in β ladder)trans-109157.4176.4-169.3170.376.2162.6-4.9110K77 F80 D119 G120 K121K77-R117 WeakPolarHBondContact O-CD 3.33Å; K77-R117 WeakPolarHBondContact O-CG 3.44Å; F80-R117 HydrophobicContact CD1-CB 3.84Å; F80-R117 HydrophobicContact CE1-CB 3.74Å; F80-R117 HydrophobicContact CE1-CG 4.4Å; F80-R117 HydrophobicContact CG-CB 4.49Å; F80-R117 HydrophobicContact CZ-CB 4.3Å; F80-R117 HydrophobicContact CZ-CG 4.49Å; R117-D119 VanDerWaalsContact CB-OD1 3.28Å; R117-D119 WeakPolarHBondContact CB-OD1 3.31Å; R117-D119 WeakPolarHBondContact CG-OD1 3.23Å; R117-D119 IonicContact CZ-OD1 3.72Å; R117-D119 IonicContact CZ-OD2 3.26Å; R117-D119 VanDerWaalsContact NE-CG 3.35Å; R117-D119 IonicContact NE-OD1 2.67Å; R117-D119 PolarHBondContact NE-OD1 2.95Å; R117-D119 IonicContact NE-OD2 3.96Å; R117-D119 PolarHBondContact NE-OD2 3.38Å; R117-D119 VanDerWaalsContact NE-OD2 3.11Å; R117-D119 IonicContact NH2-OD1 2.6Å; R117-D119 IonicContact NH2-OD2 3.23Å; R117-D119 PolarHBondContact NH2-OD2 2.96Å; R117-D119 PolarHBondContact O-N 2.85Å; R117-G120 PolarHBondContact O-N 2.88Å; R117-K121 HydrophobicContact CB-CB 4.19Å; R117-K121 PolarHBondContact N-O 3.1Å
118S92.5Very high93.4Very high15 Ų1548.1 Ų48.111%0.10522%0.223CC..THydrogen-bonded Turntrans-55.6-27.7-173.558.90000114.8R69 F70 G120R69-S118 WeakPolarHBondContact CG-O 3.16Å; F70-S118 PolarHBondContact N-O 3.41Å; S118-G120 VanDerWaalsContact C-N 3.27Å; S118-G120 PolarHBondContact O-N 3.27Å
119D91.8Very high93.8Very high56 Ų5642.2 Ų42.230%0.29919%0.192SC..THydrogen-bonded Turntrans-79.5-3.4178.962.7-19000114.4Y64 R117 K121Y64-D119 WeakPolarHBondContact CE1-OD2 3.24Å; R117-D119 VanDerWaalsContact CB-OD1 3.28Å; R117-D119 WeakPolarHBondContact CB-OD1 3.31Å; R117-D119 WeakPolarHBondContact CG-OD1 3.23Å; R117-D119 IonicContact CZ-OD1 3.72Å; R117-D119 IonicContact CZ-OD2 3.26Å; R117-D119 VanDerWaalsContact NE-CG 3.35Å; R117-D119 IonicContact NE-OD1 2.67Å; R117-D119 PolarHBondContact NE-OD1 2.95Å; R117-D119 IonicContact NE-OD2 3.96Å; R117-D119 PolarHBondContact NE-OD2 3.38Å; R117-D119 VanDerWaalsContact NE-OD2 3.11Å; R117-D119 IonicContact NH2-OD1 2.6Å; R117-D119 IonicContact NH2-OD2 3.23Å; R117-D119 PolarHBondContact NH2-OD2 2.96Å; R117-D119 PolarHBondContact O-N 2.85Å; D119-K121 WeakPolarHBondContact OD1-CB 3.35Å; D119-K121 PolarHBondContact OD1-N 3.39Å; D119-K121 VanDerWaalsContact OD1-N 3.12Å
120G91.9Very high94.1Very high1 Ų132.9 Ų32.91%0.0116%0.158CC..SBendtrans90.55.5-17400000113.8D65 R117 S118 V122D65-G120 PolarHBondContact N-O 2.85Å; D65-G120 WeakPolarHBondContact O-CA 3.35Å; R117-G120 PolarHBondContact O-N 2.88Å; S118-G120 VanDerWaalsContact C-N 3.27Å; S118-G120 PolarHBondContact O-N 3.27Å; G120-V122 PolarHBondContact O-N 3.05Å
121K94.2Very high94.4Very high33 Ų3331 Ų3114%0.14315%0.145CC..EExtended strand (participates in β ladder)trans-68.3119.9172.8-172.1174.1-179.7172.90110.2E62 W63 Y64 I116 R117 D119 V123E62-K121 WeakPolarHBondContact OE2-CE 3.33Å; E62-K121 IonicContact OE2-NZ 3.82Å; E62-K121 PolarHBondContact OE2-NZ 3.35Å; W63-K121 WeakPolarHBondContact O-CA 3.47Å; Y64-K121 HydrophobicContact CD1-CB 3.91Å; Y64-K121 HydrophobicContact CE1-CB 3.65Å; Y64-K121 HydrophobicContact CE1-CD 4.36Å; Y64-K121 HydrophobicContact CE1-CG 4.14Å; I116-K121 WeakPolarHBondContact CA-O 3.35Å; R117-K121 HydrophobicContact CB-CB 4.19Å; R117-K121 PolarHBondContact N-O 3.1Å; D119-K121 WeakPolarHBondContact OD1-CB 3.35Å; D119-K121 PolarHBondContact OD1-N 3.39Å; D119-K121 VanDerWaalsContact OD1-N 3.12Å; K121-V123 HydrophobicContact CG-CG2 4.46Å
122V95.4Very high94.6Very high0 Ų027.9 Ų27.90%013%0.128CC..EExtended strand (participates in β ladder)trans-96.2136.6170.9-1640000108.6E62 W63 D65 L68 L114 I116 G120E62-V122 WeakPolarHBondContact CA-O 3.33Å; W63-V122 HydrophobicContact CD2-CB 4.03Å; W63-V122 HydrophobicContact CH2-CB 4.22Å; W63-V122 HydrophobicContact CH2-CG1 3.75Å; W63-V122 HydrophobicContact CZ2-CB 3.66Å; W63-V122 HydrophobicContact CZ2-CG1 3.42Å; W63-V122 VanDerWaalsContact CZ2-CG1 3.42Å; W63-V122 HydrophobicContact CZ2-CG2 4.09Å; W63-V122 HydrophobicContact CZ3-CG1 4.46Å; W63-V122 PolarHBondContact N-O 2.92Å; W63-V122 PolarHBondContact O-N 2.91Å; D65-V122 HydrophobicContact CB-CG2 4.12Å; L68-V122 HydrophobicContact CD1-CG2 3.84Å; L114-V122 HydrophobicContact CD1-CG1 4.05Å; L114-V122 HydrophobicContact CD2-CG1 3.75Å; L114-V122 HydrophobicContact CG-CG1 3.86Å; I116-V122 HydrophobicContact CG2-CB 4.16Å; I116-V122 HydrophobicContact CG2-CG1 4.23Å; I116-V122 HydrophobicContact CG2-CG2 3.7Å; G120-V122 PolarHBondContact O-N 3.05Å
123V95.9Very high94.8Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-124.6118.8169.4177.90000108.3Q60 E62 F80 F113 L114 K115 K121Q60-V123 HydrophobicContact CG-CG1 4.04Å; E62-V123 HydrophobicContact CB-CG2 4.37Å; E62-V123 HydrophobicContact CG-CB 4.47Å; E62-V123 HydrophobicContact CG-CG1 4.18Å; E62-V123 HydrophobicContact CG-CG2 3.95Å; F80-V123 HydrophobicContact CE1-CB 4.47Å; F80-V123 HydrophobicContact CE1-CG2 3.72Å; F80-V123 HydrophobicContact CZ-CG2 4.21Å; F113-V123 HydrophobicContact CE2-CG1 4.42Å; L114-V123 WeakPolarHBondContact CA-O 3.3Å; K115-V123 HydrophobicContact CD-CB 4.4Å; K115-V123 HydrophobicContact CG-CB 3.85Å; K115-V123 HydrophobicContact CG-CG1 4.5Å; K115-V123 PolarHBondContact N-O 3.37Å; K115-V123 PolarHBondContact O-N 3.06Å; K121-V123 HydrophobicContact CG-CG2 4.46Å
124Y96.1Very high94.9Very high36 Ų3622.7 Ų22.714%0.14111%0.112CC..EExtended strand (participates in β ladder)trans-109.3134174174.3-125.1000108.6Q60 Q61 V91 Q112 L114 K126Q60-Y124 CarbonylContact C-O 3.55Å; Q60-Y124 WeakPolarHBondContact CA-O 3.5Å; Q61-Y124 PolarHBondContact N-O 2.98Å; Q61-Y124 PolarHBondContact O-N 3.2Å; V91-Y124 HydrophobicContact CG1-CD1 3.74Å; V91-Y124 HydrophobicContact CG1-CE1 3.62Å; V91-Y124 HydrophobicContact CG1-CG 4.27Å; Q112-Y124 HydrophobicContact CB-CE2 4.48Å; L114-Y124 HydrophobicContact CB-CD2 4.4Å; L114-Y124 HydrophobicContact CD1-CD2 4.07Å; L114-Y124 HydrophobicContact CD1-CG 4.42Å; Y124-K126 WeakPolarHBondContact OH-CD 3.41Å
125N95.5Very high94.9Very high13 Ų1327.1 Ų27.17%0.0714%0.139CC..EExtended strand (participates in β ladder)trans-137.4137.4175.6-179.5-56.2000108.9F59 Q60 Q112 F113F59-N125 CarbonylContact O-C 3.57Å; F59-N125 VanDerWaalsContact O-CA 3.3Å; F59-N125 WeakPolarHBondContact O-CA 3.42Å; Q60-N125 HydrophobicContact CB-CB 4.4Å; Q60-N125 HydrophobicContact CG-CB 4.45Å; Q60-N125 PolarHBondContact OE1-ND2 2.96Å; Q112-N125 CarbonylContact C-O 3.53Å; Q112-N125 WeakPolarHBondContact CA-O 3.42Å; F113-N125 HydrophobicContact CD1-CB 4.02Å; F113-N125 HydrophobicContact CD2-CB 4.16Å; F113-N125 HydrophobicContact CE1-CB 3.5Å; F113-N125 HydrophobicContact CE2-CB 3.63Å; F113-N125 HydrophobicContact CG-CB 4.33Å; F113-N125 HydrophobicContact CZ-CB 3.29Å; F113-N125 PolarHBondContact N-O 3.33Å; F113-N125 PolarHBondContact O-N 3.32Å
126K94.9Very high94.8Very high36 Ų3625.3 Ų25.316%0.15713%0.131CC..EExtended strand (participates in β ladder)trans-144.3133.1-178.4-174157.4-178.4163.80111.8Q58 F59 Y104 Q112 Y124 L128Q58-K126 WeakPolarHBondContact CA-O 3.45Å; F59-K126 PolarHBondContact N-O 2.8Å; F59-K126 PolarHBondContact O-N 2.99Å; Y104-K126 VanDerWaalsContact CE1-CE 3.48Å; Q112-K126 HydrophobicContact CB-CB 4.11Å; Q112-K126 HydrophobicContact CB-CD 4.11Å; Q112-K126 HydrophobicContact CB-CG 3.97Å; Q112-K126 VanDerWaalsContact OE1-CE 3.28Å; Y124-K126 WeakPolarHBondContact OH-CD 3.41Å; K126-L128 HydrophobicContact CD-CD2 4.29Å; K126-L128 HydrophobicContact CG-CD2 3.95Å; K126-L128 HydrophobicContact CG-CG 4.39Å
127R95.4Very high94.8Very high85 Ų8531.8 Ų31.832%0.32116%0.161SC..EExtended strand (participates in β ladder)trans-81.7125171.9-171-177.4176.6171-0.2110.2H105 N111H105-R127 PolarHBondContact CD2-O 3.49Å; N111-R127 HydrophobicContact CB-CB 3.89Å; N111-R127 PolarHBondContact O-N 2.72Å
128L95.2Very high94.8Very high12 Ų1229.7 Ų29.76%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-123.8147.5179-60177000110.2Q56 F57 F59 F96 Y104 K126 L130Q56-L128 WeakPolarHBondContact CA-O 3.03Å; F57-L128 HydrophobicContact CE2-CB 4.33Å; F57-L128 HydrophobicContact CE2-CD1 4.09Å; F57-L128 HydrophobicContact CZ-CB 4.37Å; F57-L128 HydrophobicContact CZ-CD1 4.37Å; F57-L128 PolarHBondContact N-O 3.33Å; F57-L128 PolarHBondContact O-N 3.25Å; F59-L128 HydrophobicContact CB-CD1 4.17Å; F96-L128 HydrophobicContact CE2-CD1 3.7Å; F96-L128 HydrophobicContact CZ-CD1 3.83Å; Y104-L128 HydrophobicContact CD1-CD2 3.67Å; Y104-L128 HydrophobicContact CE1-CD2 3.67Å; K126-L128 HydrophobicContact CD-CD2 4.29Å; K126-L128 HydrophobicContact CG-CD2 3.95Å; K126-L128 HydrophobicContact CG-CG 4.39Å; L128-L130 HydrophobicContact CB-CD2 4.32Å; L128-L130 HydrophobicContact CB-CG 4.4Å
129T95.6Very high94.8Very high22 Ų2231.3 Ų31.314%0.13517%0.168CC..EExtended strand (participates in β ladder)trans-121.5116160.2-69.50000108A55 Q56 A103 H105A55-T129 WeakPolarHBondContact O-CA 3.31Å; Q56-T129 HydrophobicContact CG-CG2 4.05Å; Q56-T129 VanDerWaalsContact CG-OG1 3.31Å; Q56-T129 WeakPolarHBondContact CG-OG1 3.11Å; A103-T129 PolarHBondContact N-O 3.17Å; A103-T129 PolarHBondContact O-N 3.43Å; A103-T129 VanDerWaalsContact O-N 3.16Å; H105-T129 PolarHBondContact CE1-OG1 2.76Å; H105-T129 VanDerWaalsContact CE1-OG1 3.27Å; H105-T129 PolarHBondContact NE2-OG1 3.42Å
130L96Very high94.9Very high7 Ų734.2 Ų34.24%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-114.9139.3-179.4-53.5-173.2000110.5K54 A55 F57 F96 E99 L128 L132 L150K54-L130 WeakPolarHBondContact CA-O 3.45Å; A55-L130 PolarHBondContact N-O 2.98Å; A55-L130 PolarHBondContact O-N 3.17Å; F57-L130 HydrophobicContact CE1-CB 4.45Å; F57-L130 HydrophobicContact CE1-CD1 4Å; F57-L130 HydrophobicContact CE1-CG 4.04Å; F57-L130 HydrophobicContact CZ-CD1 3.64Å; F57-L130 HydrophobicContact CZ-CG 4.04Å; F96-L130 HydrophobicContact CB-CD1 4.02Å; F96-L130 HydrophobicContact CD1-CD1 3.64Å; F96-L130 HydrophobicContact CD2-CD1 3.57Å; F96-L130 HydrophobicContact CE1-CD1 3.96Å; F96-L130 HydrophobicContact CE2-CD1 3.9Å; F96-L130 HydrophobicContact CG-CD1 3.45Å; F96-L130 VanDerWaalsContact CG-CD1 3.45Å; F96-L130 HydrophobicContact CZ-CD1 4.09Å; E99-L130 HydrophobicContact CG-CD2 4.32Å; L128-L130 HydrophobicContact CB-CD2 4.32Å; L128-L130 HydrophobicContact CB-CG 4.4Å; L130-L132 HydrophobicContact CB-CD1 4.13Å; L130-L132 HydrophobicContact CB-CD2 4.24Å; L130-L132 HydrophobicContact CB-CG 3.93Å; L130-L132 HydrophobicContact CD1-CD2 4.24Å; L130-L150 HydrophobicContact CD1-CD1 4.36Å
131T96.5Very high94.9Very high14 Ų1434.8 Ų34.89%0.08618%0.176CC..EExtended strand (participates in β ladder)trans-97.1115162.8-49.20000107.1E52 F53 K54 K100 K101E52-T131 HydrophobicContact CB-CG2 4.05Å; E52-T131 VanDerWaalsContact CD-CG2 3.41Å; E52-T131 HydrophobicContact CG-CG2 3.88Å; E52-T131 VanDerWaalsContact OE1-CG2 3.25Å; E52-T131 WeakPolarHBondContact OE1-CG2 3.28Å; F53-T131 WeakPolarHBondContact O-CA 3.36Å; K54-T131 HydrophobicContact CG-CG2 3.92Å; K100-T131 PolarHBondContact N-O 3.35Å; K101-T131 PolarHBondContact N-O 3.36Å; K101-T131 WeakPolarHBondContact O-CB 3.33Å; K101-T131 PolarHBondContact O-N 2.81Å; K101-T131 PolarHBondContact O-OG1 2.99Å
132L96.6Very high94.9Very high0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-114.5135.3-169-67.1152000109.6E52 F53 A55 N98 E99 L130 L150E52-L132 CarbonylContact C-O 3.59Å; E52-L132 WeakPolarHBondContact CA-O 3.49Å; E52-L132 VanDerWaalsContact CB-O 3.26Å; E52-L132 WeakPolarHBondContact CB-O 3.45Å; F53-L132 HydrophobicContact CD1-CB 3.93Å; F53-L132 HydrophobicContact CE1-CB 3.45Å; F53-L132 VanDerWaalsContact CE1-CB 3.45Å; F53-L132 HydrophobicContact CE1-CD1 4.16Å; F53-L132 HydrophobicContact CE1-CG 4.44Å; F53-L132 HydrophobicContact CE2-CB 4.48Å; F53-L132 HydrophobicContact CE2-CD1 3.83Å; F53-L132 HydrophobicContact CZ-CB 3.77Å; F53-L132 HydrophobicContact CZ-CD1 3.54Å; F53-L132 HydrophobicContact CZ-CG 4.3Å; F53-L132 PolarHBondContact N-O 3.05Å; F53-L132 PolarHBondContact O-N 3.24Å; A55-L132 HydrophobicContact CB-CD1 4.3Å; N98-L132 HydrophobicContact CB-CD2 4.36Å; N98-L132 CarbonylContact O-C 3.55Å; N98-L132 WeakPolarHBondContact O-CA 3.38Å; E99-L132 HydrophobicContact CB-CD2 4.43Å; L130-L132 HydrophobicContact CB-CD1 4.13Å; L130-L132 HydrophobicContact CB-CD2 4.24Å; L130-L132 HydrophobicContact CB-CG 3.93Å; L130-L132 HydrophobicContact CD1-CD2 4.24Å; L132-L150 HydrophobicContact CD1-CB 4.36Å; L132-L150 HydrophobicContact CD1-CD1 3.43Å; L132-L150 VanDerWaalsContact CD1-CD1 3.43Å; L132-L150 HydrophobicContact CD2-CD1 3.93Å; L132-L150 HydrophobicContact CG-CD1 4.34Å
133A96.7Very high94.7Very high34 Ų3434.8 Ų34.828%0.28118%0.178SC..EExtended strand (participates in β ladder)trans-62.6134.417200000110.2N98 K100N98-A133 PolarHBondContact O-N 3.46Å; K100-A133 HydrophobicContact CD-CB 4.27Å; K100-A133 HydrophobicContact CG-CB 4.3Å
134C96Very high94.5Very high4 Ų435 Ų353%0.02718%0.179CC..  trans-137.7116.4170.6176.50000109.1M51 F53 M136 C148M51-C134 CarbonylContact C-O 3.59Å; M51-C134 WeakPolarHBondContact CB-O 3.42Å; M51-C134 PolarHBondContact O-N 3.45Å; F53-C134 HydrophobicContact CD1-CB 3.79Å; F53-C134 HydrophobicContact CE1-CB 4.19Å; C134-M136 HydrophobicContact CB-CE 4.24Å; C134-M136 PolarHBondContact O-N 3.3Å; C134-C148 HydrophobicContact CB-CB 3.75Å; C134-C148 WeakPolarHBondContact CB-SG 3.42Å; C134-C148 WeakPolarHBondContact SG-CA 3.31Å; C134-C148 WeakPolarHBondContact SG-CB 3.4Å; C134-C148 CovalentContact SG-SG 2.03Å; C134-C148 PolarHBondContact SG-SG 2.84Å
135V93.6Very high94.4Very high114 Ų11437.6 Ų37.669%0.69119%0.192SC*.  trans-78104.4178.7-179.50000108.3
136M93.7Very high94.4Very high3 Ų337.1 Ų37.12%0.01519%0.189CC..  trans-93136.8-178.1-59.4171.6-148.700111.4V46 E48 M51 C134 L138 Q146V46-M136 HydrophobicContact CG1-CE 3.26Å; V46-M136 HydrophobicContact CG1-SD 3.98Å; E48-M136 HydrophobicContact CB-SD 4.45Å; E48-M136 HydrophobicContact CG-SD 4.15Å; M51-M136 HydrophobicContact CE-CB 4.46Å; M51-M136 HydrophobicContact SD-CB 3.71Å; M51-M136 HydrophobicContact SD-CG 4.09Å; M51-M136 HydrophobicContact SD-SD 4.31Å; C134-M136 HydrophobicContact CB-CE 4.24Å; C134-M136 PolarHBondContact O-N 3.3Å; M136-L138 HydrophobicContact CB-CD2 4.05Å; M136-L138 HydrophobicContact CB-CG 4.33Å; M136-L138 PolarHBondContact O-N 3.08Å; M136-Q146 HydrophobicContact CB-CG 4.25Å; M136-Q146 HydrophobicContact CG-CB 4.48Å; M136-Q146 HydrophobicContact CG-CG 4.18Å
137H93.7Very high94.4Very high138 Ų13837.6 Ų37.664%0.63920%0.195SC*.  trans-96.491.9175.5-68.2-72.6000109.7A139 Q146H137-A139 PolarHBondContact O-N 3.3Å; H137-Q146 PolarHBondContact O-NE2 3.36Å
138L93.4Very high94.5Very high0 Ų033.6 Ų33.60%018%0.18CC..G310 helixtrans-83.811.2-172.4-58.3177.1000113.8M51 M136 R140 Y141 P271 V273 Y275M51-L138 HydrophobicContact CE-CD1 3.95Å; M51-L138 HydrophobicContact CE-CG 4.42Å; M136-L138 HydrophobicContact CB-CD2 4.05Å; M136-L138 HydrophobicContact CB-CG 4.33Å; M136-L138 PolarHBondContact O-N 3.08Å; L138-R140 VanDerWaalsContact C-N 3.25Å; L138-R140 PolarHBondContact O-N 3Å; L138-Y141 HydrophobicContact CD2-CD2 4.14Å; L138-Y141 WeakPolarHBondContact O-CB 3.41Å; L138-Y141 PolarHBondContact O-N 3.16Å; L138-P271 HydrophobicContact CD1-CG 3.53Å; L138-V273 HydrophobicContact CD1-CG1 4.33Å; L138-Y275 HydrophobicContact CB-CE2 4.38Å; L138-Y275 PolarHBondContact N-OH 2.86Å
139A93.2Very high94.5Very high49 Ų4937.1 Ų37.141%0.40519%0.193SC..G310 helixtrans-60.3-34.4-176.600000112.7H137 Y275 K277 A278H137-A139 PolarHBondContact O-N 3.3Å; A139-Y275 HydrophobicContact CB-CD2 4.25Å; A139-Y275 HydrophobicContact CB-CE2 4.1Å; A139-K277 CarbonylContact O-C 3.42Å; A139-A278 PolarHBondContact O-N 2.97Å
140R93.4Very high94.5Very high118 Ų11836.1 Ų36.145%0.44519%0.187SC..G310 helixtrans-94.17.7175.6-69.7-177170.4-148.2-12.4114.2L138 M143 D144 T448L138-R140 VanDerWaalsContact C-N 3.25Å; L138-R140 PolarHBondContact O-N 3Å; R140-M143 CarbonylContact O-C 3.55Å; R140-M143 WeakPolarHBondContact O-CA 3.14Å; R140-M143 PolarHBondContact O-N 3.48Å; R140-D144 HydrophobicContact CB-CB 4.34Å; R140-T448 VanDerWaalsContact NH1-C 3.31Å; R140-T448 PolarHBondContact NH1-O 3.26Å; R140-T448 PolarHBondContact NH1-OXT 3.47Å; R140-T448 PolarHBondContact NH2-OXT 3.23Å
141Y93Very high94.4Very high12 Ų1236.1 Ų36.15%0.04719%0.187CC..THydrogen-bonded Turntrans-56.1130.7-175.5179.2-85.5000112.4L138 R214 F219 L270 L279L138-Y141 HydrophobicContact CD2-CD2 4.14Å; L138-Y141 WeakPolarHBondContact O-CB 3.41Å; L138-Y141 PolarHBondContact O-N 3.16Å; Y141-R214 VanDerWaalsContact CE2-CZ 3.45Å; Y141-F219 HydrophobicContact CE1-CE1 4.36Å; Y141-F219 AromaticContact CZ-CE1 3.84Å; Y141-F219 WeakPolarHBondContact OH-CE1 3.48Å; Y141-F219 WeakPolarHBondContact OH-CZ 3.36Å; Y141-L270 HydrophobicContact CD1-CD1 4.02Å; Y141-L270 HydrophobicContact CD2-CD2 4.22Å; Y141-L270 HydrophobicContact CE1-CD1 3.54Å; Y141-L270 HydrophobicContact CE1-CD2 4.18Å; Y141-L270 HydrophobicContact CE1-CG 4.43Å; Y141-L270 HydrophobicContact CE2-CD1 4.49Å; Y141-L270 HydrophobicContact CE2-CD2 3.62Å; Y141-L279 HydrophobicContact CD1-CB 4.25Å; Y141-L279 HydrophobicContact CD1-CD2 4.19Å; Y141-L279 HydrophobicContact CE1-CD2 3.98Å; Y141-L279 PolarHBondContact O-N 2.88Å
142P92.8Very high94.4Very high2 Ų235.5 Ų35.51%0.01318%0.183CC..THydrogen-bonded Turncis-100.119.97.438.8-33.7000114.6D144 R214 F216 F219 Y224P142-D144 VanDerWaalsContact C-N 3.29Å; P142-D144 VanDerWaalsContact C-OD1 3.23Å; P142-D144 WeakPolarHBondContact CA-OD1 3.2Å; P142-R214 WeakPolarHBondContact O-CD 3.45Å; P142-F216 HydrophobicContact CG-CD2 4.17Å; P142-F216 HydrophobicContact CG-CE2 4.15Å; P142-F219 HydrophobicContact CB-CB 4.11Å; P142-F219 HydrophobicContact CB-CD1 3.96Å; P142-F219 HydrophobicContact CB-CD2 3.67Å; P142-F219 HydrophobicContact CB-CE1 4.35Å; P142-F219 HydrophobicContact CB-CE2 4.09Å; P142-F219 HydrophobicContact CB-CG 3.6Å; P142-F219 HydrophobicContact CB-CZ 4.41Å; P142-F219 HydrophobicContact CG-CB 3.67Å; P142-F219 HydrophobicContact CG-CD1 4.17Å; P142-F219 HydrophobicContact CG-CD2 4.2Å; P142-F219 HydrophobicContact CG-CG 3.73Å; P142-Y224 WeakPolarHBondContact CD-OH 3.32Å; P142-Y224 HydrophobicContact CG-CE2 4.05Å
143M91.1Very high94.3Very high32 Ų3235.7 Ų35.716%0.15819%0.185CC..SBendtrans-9836175.9-66.1171.7-81.800111R140 F216 Y442 W443 W447R140-M143 CarbonylContact O-C 3.55Å; R140-M143 WeakPolarHBondContact O-CA 3.14Å; R140-M143 PolarHBondContact O-N 3.48Å; M143-F216 HydrophobicContact CG-CD2 3.58Å; M143-F216 HydrophobicContact CG-CE2 3.66Å; M143-F216 HydrophobicContact CG-CG 4.48Å; M143-F216 HydrophobicContact SD-CD2 4.47Å; M143-F216 HydrophobicContact SD-CE2 4.02Å; M143-Y442 HydrophobicContact CE-CE1 4.13Å; M143-W443 HydrophobicContact CE-CZ3 4.1Å; M143-W443 HydrophobicContact SD-CE3 4.31Å; M143-W443 HydrophobicContact SD-CZ3 3.91Å; M143-W447 HydrophobicContact CG-CE3 4.44Å; M143-W447 HydrophobicContact SD-CE3 3.62Å; M143-W447 HydrophobicContact SD-CZ3 4.19Å
144D93Very high94.2Very high4 Ų434.2 Ų34.22%0.02117%0.172CC..  trans-96.5144.9-174.755.1-49.6000113.3R140 P142 Q146 R214R140-D144 HydrophobicContact CB-CB 4.34Å; P142-D144 VanDerWaalsContact C-N 3.29Å; P142-D144 VanDerWaalsContact C-OD1 3.23Å; P142-D144 WeakPolarHBondContact CA-OD1 3.2Å; D144-Q146 PolarHBondContact OD2-NE2 3.11Å; D144-R214 PolarHBondContact O-N 3.33Å; D144-R214 WeakPolarHBondContact OD1-CD 3.21Å; D144-R214 IonicContact OD1-CZ 3.21Å; D144-R214 IonicContact OD1-NE 2.68Å; D144-R214 PolarHBondContact OD1-NE 3.06Å; D144-R214 IonicContact OD1-NH2 2.75Å; D144-R214 IonicContact OD2-CZ 2.8Å; D144-R214 IonicContact OD2-NE 2.74Å; D144-R214 PolarHBondContact OD2-NE 3.22Å; D144-R214 IonicContact OD2-NH2 3.48Å; D144-R214 PolarHBondContact OD2-NH2 2.72Å
145E93.7Very high94.1Very high90 Ų9042.1 Ų42.142%0.42120%0.202SC..EExtended strand (participates in β ladder)trans-107135.3162-62.8-168.9168.700108.1K187 M212 R213E145-K187 WeakPolarHBondContact OE1-CD 3.4Å; E145-K187 IonicContact OE1-NZ 3.67Å; E145-K187 PolarHBondContact OE1-NZ 3.31Å; E145-K187 IonicContact OE2-NZ 2.71Å; E145-K187 PolarHBondContact OE2-NZ 3.33Å; E145-M212 CarbonylContact C-O 3.59Å; E145-M212 WeakPolarHBondContact CA-O 3.28Å; E145-R213 HydrophobicContact CG-CB 4.26Å; E145-R213 HydrophobicContact CG-CG 4.21Å
146Q95.1Very high94.1Very high4 Ų439.5 Ų39.52%0.01919%0.193CC..EExtended strand (participates in β ladder)trans-121.3132.1-176.6-59.9-57.8-19.800110.2M136 H137 D144 F184 M212M136-Q146 HydrophobicContact CB-CG 4.25Å; M136-Q146 HydrophobicContact CG-CB 4.48Å; M136-Q146 HydrophobicContact CG-CG 4.18Å; H137-Q146 PolarHBondContact O-NE2 3.36Å; D144-Q146 PolarHBondContact OD2-NE2 3.11Å; Q146-F184 HydrophobicContact CG-CE1 4.27Å; Q146-M212 PolarHBondContact N-O 2.96Å; Q146-M212 PolarHBondContact O-N 2.98Å
147T95.4Very high94Very high46 Ų4641.8 Ų41.828%0.28220%0.202SC..EExtended strand (participates in β ladder)trans-106.7111176.8-56.90000109.2Y149 E209 L210 Q211T147-Y149 HydrophobicContact CG2-CE1 3.73Å; T147-Y149 HydrophobicContact CG2-CE2 4.4Å; T147-E209 HydrophobicContact CG2-CG 3.4Å; T147-E209 WeakPolarHBondContact CG2-OE1 3.36Å; T147-L210 WeakPolarHBondContact CA-O 3.36Å; T147-Q211 HydrophobicContact CG2-CG 4.36Å
148C95.8Very high94.1Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-106.5144.7177.8-63.50000111.4F53 C134 L210 M212F53-C148 HydrophobicContact CD1-CB 3.9Å; F53-C148 HydrophobicContact CE1-CB 3.71Å; F53-C148 HydrophobicContact CZ-CB 4.19Å; C134-C148 HydrophobicContact CB-CB 3.75Å; C134-C148 WeakPolarHBondContact CB-SG 3.42Å; C134-C148 WeakPolarHBondContact SG-CA 3.31Å; C134-C148 WeakPolarHBondContact SG-CB 3.4Å; C134-C148 CovalentContact SG-SG 2.03Å; C134-C148 PolarHBondContact SG-SG 2.84Å; C148-L210 PolarHBondContact N-O 3.16Å; C148-L210 PolarHBondContact O-N 3.17Å; C148-M212 HydrophobicContact CB-CE 3.96Å; C148-M212 WeakPolarHBondContact SG-CE 3.48Å
149Y95.5Very high94.1Very high87 Ų8739.1 Ų39.134%0.34120%0.196SC..EExtended strand (participates in β ladder)trans-116.9127.8-175-52.9-74.7000112.1N98 T147 R207 V208 E209N98-Y149 PolarHBondContact ND2-O 3.23Å; T147-Y149 HydrophobicContact CG2-CE1 3.73Å; T147-Y149 HydrophobicContact CG2-CE2 4.4Å; Y149-R207 HydrophobicContact CD1-CG 3.95Å; Y149-V208 WeakPolarHBondContact CA-O 3.13Å; Y149-E209 HydrophobicContact CD1-CB 4.29Å; Y149-E209 HydrophobicContact CD1-CG 4.29Å; Y149-E209 HydrophobicContact CE1-CB 4.3Å; Y149-E209 HydrophobicContact CE1-CG 3.89Å
150L95.6Very high94Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-97.7102.8159.4170.183.5000107.2V38 F40 F57 F96 L130 L132 V208V38-L150 HydrophobicContact CG1-CD2 4.32Å; F40-L150 HydrophobicContact CE1-CD2 4.36Å; F40-L150 HydrophobicContact CZ-CD2 3.88Å; F57-L150 HydrophobicContact CE1-CD1 3.87Å; F57-L150 HydrophobicContact CE1-CD2 4.24Å; F57-L150 HydrophobicContact CZ-CD1 3.81Å; F57-L150 HydrophobicContact CZ-CD2 4.16Å; F96-L150 HydrophobicContact CD1-CD1 3.75Å; F96-L150 HydrophobicContact CE1-CD1 3.96Å; L130-L150 HydrophobicContact CD1-CD1 4.36Å; L132-L150 HydrophobicContact CD1-CB 4.36Å; L132-L150 HydrophobicContact CD1-CD1 3.43Å; L132-L150 VanDerWaalsContact CD1-CD1 3.43Å; L132-L150 HydrophobicContact CD2-CD1 3.93Å; L132-L150 HydrophobicContact CG-CD1 4.34Å; L150-V208 HydrophobicContact CB-CB 4.14Å; L150-V208 HydrophobicContact CD2-CB 4.43Å; L150-V208 HydrophobicContact CD2-CG2 4.02Å; L150-V208 PolarHBondContact N-O 2.86Å; L150-V208 PolarHBondContact O-N 3.44Å
151D95Very high94Very high8 Ų836.6 Ų36.64%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-100.8144.2175.9-63.7-24.9000110F96 P97 N98 L206 R207F96-D151 WeakPolarHBondContact CA-O 3.46Å; F96-D151 WeakPolarHBondContact CD1-O 3.5Å; P97-D151 WeakPolarHBondContact CD-O 3.28Å; P97-D151 HydrophobicContact CG-CB 3.97Å; N98-D151 PolarHBondContact ND2-OD2 2.65Å; D151-L206 WeakPolarHBondContact CA-O 3.31Å; D151-R207 VanDerWaalsContact OD1-CB 3.27Å; D151-R207 WeakPolarHBondContact OD1-CB 3.41Å; D151-R207 WeakPolarHBondContact OD1-CG 3.44Å; D151-R207 IonicContact OD1-CZ 3.37Å; D151-R207 IonicContact OD1-NE 2.74Å; D151-R207 PolarHBondContact OD1-NE 3.45Å; D151-R207 IonicContact OD1-NH2 2.83Å; D151-R207 IonicContact OD2-CZ 2.74Å; D151-R207 IonicContact OD2-NE 2.78Å; D151-R207 PolarHBondContact OD2-NE 3.41Å; D151-R207 IonicContact OD2-NH2 3.7Å; D151-R207 PolarHBondContact OD2-NH2 3.45Å
152F95.5Very high94Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-143.9141.4170.956.2-87.4000112.1T36 V38 F59 T94 F95 F96 W166 C205 L206T36-F152 HydrophobicContact CG2-CE2 4.08Å; V38-F152 HydrophobicContact CG2-CE1 4.27Å; F59-F152 HydrophobicContact CE2-CD1 4.17Å; F59-F152 AromaticContact CE2-CD2 3.9Å; F59-F152 HydrophobicContact CE2-CD2 3.9Å; F59-F152 HydrophobicContact CE2-CE1 4.05Å; F59-F152 AromaticContact CE2-CE2 3.75Å; F59-F152 HydrophobicContact CE2-CE2 3.75Å; F59-F152 HydrophobicContact CE2-CG 4.09Å; F59-F152 AromaticContact CE2-CZ 3.83Å; F59-F152 HydrophobicContact CE2-CZ 3.83Å; F59-F152 AromaticContact CZ-CD2 3.64Å; F59-F152 HydrophobicContact CZ-CD2 3.64Å; F59-F152 AromaticContact CZ-CE2 3.73Å; F59-F152 HydrophobicContact CZ-CE2 3.73Å; F59-F152 HydrophobicContact CZ-CG 4.1Å; F59-F152 HydrophobicContact CZ-CZ 4.3Å; T94-F152 HydrophobicContact CG2-CB 3.84Å; T94-F152 HydrophobicContact CG2-CD2 3.89Å; T94-F152 HydrophobicContact CG2-CG 4.31Å; F95-F152 VanDerWaalsContact O-CA 3.31Å; F95-F152 WeakPolarHBondContact O-CA 3.44Å; F96-F152 HydrophobicContact CD1-CB 3.74Å; F96-F152 HydrophobicContact CE1-CB 3.73Å; F96-F152 HydrophobicContact CE1-CD1 4.27Å; F96-F152 HydrophobicContact CE1-CG 4.27Å; F96-F152 HydrophobicContact CG-CB 4.45Å; F96-F152 HydrophobicContact CZ-CB 4.42Å; F152-W166 AromaticContact CE1-CH2 3.75Å; F152-W166 HydrophobicContact CE1-CH2 3.75Å; F152-W166 HydrophobicContact CE1-CZ2 4.33Å; F152-W166 HydrophobicContact CE1-CZ3 4.48Å; F152-W166 AromaticContact CZ-CH2 3.67Å; F152-W166 HydrophobicContact CZ-CH2 3.67Å; F152-W166 HydrophobicContact CZ-CZ2 4.23Å; F152-W166 HydrophobicContact CZ-CZ3 4.06Å; F152-C205 WeakPolarHBondContact O-CA 3.49Å; F152-L206 HydrophobicContact CD2-CB 4.25Å; F152-L206 HydrophobicContact CE1-CB 4.03Å; F152-L206 HydrophobicContact CE2-CB 3.66Å; F152-L206 HydrophobicContact CE2-CD1 3.83Å; F152-L206 HydrophobicContact CE2-CG 4.2Å; F152-L206 HydrophobicContact CZ-CB 3.54Å; F152-L206 HydrophobicContact CZ-CD1 3.94Å; F152-L206 HydrophobicContact CZ-CG 4.35Å; F152-L206 PolarHBondContact N-O 3.26Å; F152-L206 PolarHBondContact O-N 3.5Å
153V95.7Very high94.1Very high5 Ų538.6 Ų38.63%0.0321%0.205CC..EExtended strand (participates in β ladder)trans-145.6158.3-165-164.60000108.9T94 F95 P97 S204 C205T94-V153 WeakPolarHBondContact CA-O 3.41Å; F95-V153 HydrophobicContact CD1-CB 4.39Å; F95-V153 VanDerWaalsContact CD1-O 3.26Å; F95-V153 WeakPolarHBondContact CD1-O 3.49Å; F95-V153 HydrophobicContact CE1-CB 3.83Å; F95-V153 HydrophobicContact CE1-CG1 4.34Å; F95-V153 HydrophobicContact CZ-CB 4.36Å; F95-V153 PolarHBondContact N-O 3.06Å; F95-V153 PolarHBondContact O-N 3.04Å; P97-V153 HydrophobicContact CG-CG2 3.87Å; V153-S204 WeakPolarHBondContact CG1-O 3.31Å; V153-C205 HydrophobicContact CG1-CB 4.31Å; V153-C205 HydrophobicContact CG2-CB 3.78Å
154S94.4Very high94.4Very high2 Ų237.4 Ų37.41%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-78.3142.6166.7172.40000109.8D93 F95 Y157 Y203D93-S154 WeakPolarHBondContact OD1-CB 3.26Å; D93-S154 PolarHBondContact OD1-OG 2.89Å; D93-S154 PolarHBondContact OD2-OG 3.3Å; F95-S154 WeakPolarHBondContact CE1-O 3.49Å; S154-Y157 WeakPolarHBondContact CB-O 3.5Å; S154-Y157 WeakPolarHBondContact OG-CB 3.47Å; S154-Y157 PolarHBondContact OG-N 2.69Å; S154-Y157 VanDerWaalsContact OG-N 3.07Å; S154-Y157 PolarHBondContact OG-O 2.97Å; S154-Y203 VanDerWaalsContact O-CD1 3.32Å; S154-Y203 WeakPolarHBondContact O-CD1 3.35Å
155Y93.1Very high94.5Very high170 Ų17040.7 Ų40.767%0.66721%0.214SC*.SBendtrans-82.2-48.6-178.6-172.4-98.3000112.9D93 F95 Y203D93-Y155 PolarHBondContact O-N 3.29Å; D93-Y155 PolarHBondContact OD2-N 3.29Å; F95-Y155 AromaticContact CD1-CD2 3.94Å; F95-Y155 HydrophobicContact CD1-CD2 3.94Å; F95-Y155 HydrophobicContact CD1-CG 4.36Å; F95-Y155 HydrophobicContact CD2-CD2 4.48Å; F95-Y155 AromaticContact CE1-CD2 4Å; F95-Y155 HydrophobicContact CE1-CD2 4Å; F95-Y155 HydrophobicContact CG-CD2 4.2Å; F95-Y155 HydrophobicContact CZ-CD2 4.29Å; Y155-Y203 WeakPolarHBondContact O-CE1 3.27Å
156A92.9Very high94.6Very high60 Ų6038.7 Ų38.750%0.49620%0.202SC..SBendtrans-106.6-32.4-17500000113.4D93D93-A156 WeakPolarHBondContact OD2-CB 3.28Å; D93-A156 PolarHBondContact OD2-N 3.26Å
157Y93.1Very high94.6Very high50 Ų5039.6 Ų39.620%0.19621%0.209CC..  trans-87.8126.8-173.5-62.6-70000112.3R24 W90 D93 S154 D161 I162 Y203R24-Y157 HydrophobicContact CB-CE1 4.08Å; W90-Y157 HydrophobicContact CZ2-CD2 4.42Å; W90-Y157 AromaticContact CZ2-CE2 3.87Å; W90-Y157 HydrophobicContact CZ2-CE2 3.87Å; W90-Y157 AromaticContact NE1-CE2 3.94Å; W90-Y157 AromaticContact NE1-CZ 3.79Å; W90-Y157 PolarHBondContact NE1-OH 3.07Å; W90-Y157 VanDerWaalsContact NE1-OH 3.1Å; D93-Y157 WeakPolarHBondContact OD1-CD2 3.19Å; S154-Y157 WeakPolarHBondContact CB-O 3.5Å; S154-Y157 WeakPolarHBondContact OG-CB 3.47Å; S154-Y157 PolarHBondContact OG-N 2.69Å; S154-Y157 VanDerWaalsContact OG-N 3.07Å; S154-Y157 PolarHBondContact OG-O 2.97Å; Y157-D161 HydrophobicContact CD1-CB 3.82Å; Y157-D161 HydrophobicContact CG-CB 4.14Å; Y157-I162 HydrophobicContact CD2-CD1 3.38Å; Y157-I162 HydrophobicContact CD2-CG1 4.25Å; Y157-I162 HydrophobicContact CE2-CD1 4.15Å; Y157-I162 HydrophobicContact CG-CD1 3.68Å; Y157-I162 HydrophobicContact CG-CG1 4.06Å; Y157-Y203 WeakPolarHBondContact O-CD1 3.42Å
158T94.6Very high94.4Very high33 Ų3345.4 Ų45.420%0.20224%0.239CC..  trans-76.4174.917965.90000112.1A160 D161 I162 E202T158-A160 PolarHBondContact O-N 3.01Å; T158-A160 VanDerWaalsContact O-N 3.16Å; T158-A160 PolarHBondContact OG1-N 3.2Å; T158-D161 PolarHBondContact N-OD2 3.35Å; T158-D161 WeakPolarHBondContact O-CA 3.27Å; T158-D161 WeakPolarHBondContact O-CB 3.49Å; T158-D161 PolarHBondContact O-N 3.32Å; T158-D161 PolarHBondContact OG1-OD2 2.66Å; T158-I162 PolarHBondContact O-N 3.16Å; T158-E202 CarbonylContact C-O 3.53Å; T158-E202 WeakPolarHBondContact CA-O 3.38Å; T158-E202 WeakPolarHBondContact CB-O 3.42Å
159T93.5Very high94.2Very high50 Ų5050.4 Ų50.431%0.30727%0.269SS..THydrogen-bonded Turntrans-57.5-22.8171.248.30000114.1D161 E202T159-D161 VanDerWaalsContact C-N 3.29Å; T159-E202 HydrophobicContact CG2-CB 4.33Å; T159-E202 PolarHBondContact N-O 3.11Å; T159-E202 PolarHBondContact OG1-O 3.44Å
160A91.6Very high94Very high68 Ų6847.5 Ų47.556%0.56226%0.261SS*.THydrogen-bonded Turntrans-75.6-18.6172.700000112.9T158T158-A160 PolarHBondContact O-N 3.01Å; T158-A160 VanDerWaalsContact O-N 3.16Å; T158-A160 PolarHBondContact OG1-N 3.2Å
161D93Very high94Very high45 Ų4548.7 Ų48.724%0.24127%0.267CS..THydrogen-bonded Turntrans-102.8-46.5-177.7-70.1-68.9000113.2R24 P31 V32 Y157 T158 T159R24-D161 VanDerWaalsContact CD-O 3.3Å; R24-D161 WeakPolarHBondContact CD-O 3Å; R24-D161 VanDerWaalsContact CZ-CA 3.49Å; R24-D161 VanDerWaalsContact CZ-O 3.27Å; R24-D161 IonicContact CZ-OD1 3.53Å; R24-D161 VanDerWaalsContact CZ-OD1 3.31Å; R24-D161 PolarHBondContact NE-O 2.97Å; R24-D161 IonicContact NE-OD1 3.55Å; R24-D161 PolarHBondContact NE-OD1 3.42Å; R24-D161 PolarHBondContact NH1-O 3.15Å; R24-D161 IonicContact NH2-OD1 3.51Å; R24-D161 PolarHBondContact NH2-OD1 3.35Å; P31-D161 CarbonylContact C-O 3.45Å; P31-D161 WeakPolarHBondContact CA-O 3.17Å; V32-D161 PolarHBondContact N-O 3.23Å; Y157-D161 HydrophobicContact CD1-CB 3.82Å; Y157-D161 HydrophobicContact CG-CB 4.14Å; T158-D161 PolarHBondContact N-OD2 3.35Å; T158-D161 WeakPolarHBondContact O-CA 3.27Å; T158-D161 WeakPolarHBondContact O-CB 3.49Å; T158-D161 PolarHBondContact O-N 3.32Å; T158-D161 PolarHBondContact OG1-OD2 2.66Å; T159-D161 VanDerWaalsContact C-N 3.29Å
162I94Very high93.9Very high1 Ų153.2 Ų53.21%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-134.8133-178.4-64.8-178000109.7V32 V34 W90 P92 Y157 T158 Y164V32-I162 WeakPolarHBondContact O-CA 3.42Å; V34-I162 HydrophobicContact CG2-CG2 3.91Å; W90-I162 HydrophobicContact CH2-CD1 3.74Å; W90-I162 HydrophobicContact CH2-CG1 4.37Å; W90-I162 HydrophobicContact CZ2-CD1 3.77Å; P92-I162 HydrophobicContact CB-CD1 4.28Å; Y157-I162 HydrophobicContact CD2-CD1 3.38Å; Y157-I162 HydrophobicContact CD2-CG1 4.25Å; Y157-I162 HydrophobicContact CE2-CD1 4.15Å; Y157-I162 HydrophobicContact CG-CD1 3.68Å; Y157-I162 HydrophobicContact CG-CG1 4.06Å; T158-I162 PolarHBondContact O-N 3.16Å; I162-Y164 HydrophobicContact CG2-CD2 4.27Å; I162-Y164 HydrophobicContact CG2-CE1 4.26Å; I162-Y164 HydrophobicContact CG2-CE2 3.96Å
163L94.8Very high93.8Very high56 Ų5654.4 Ų54.429%0.29329%0.293SS..EExtended strand (participates in β ladder)trans-116.8117168.7-166.569000108.9P31 V32 H33 V34 E165P31-L163 HydrophobicContact CB-CB 4.45Å; P31-L163 HydrophobicContact CG-CB 4.36Å; V32-L163 PolarHBondContact O-N 3.07Å; H33-L163 WeakPolarHBondContact CA-O 3.28Å; V34-L163 PolarHBondContact N-O 3.46Å; L163-E165 HydrophobicContact CD2-CG 4.48Å; L163-E165 HydrophobicContact CG-CG 4.47Å
164Y96.4Very high93.6Very high7 Ų758.4 Ų58.43%0.02731%0.311CS..EExtended strand (participates in β ladder)trans-83132.3171-66.9-73.7000110.1V34 T36 P92 T94 I162 S204V34-Y164 HydrophobicContact CB-CD1 3.85Å; V34-Y164 HydrophobicContact CB-CE1 4.1Å; V34-Y164 HydrophobicContact CG1-CD1 3.95Å; V34-Y164 HydrophobicContact CG1-CE1 3.98Å; V34-Y164 WeakPolarHBondContact O-CA 3.39Å; T36-Y164 HydrophobicContact CG2-CD1 3.84Å; P92-Y164 HydrophobicContact CB-CE1 4.45Å; T94-Y164 HydrophobicContact CG2-CE1 4.41Å; T94-Y164 WeakPolarHBondContact OG1-CE1 3.49Å; T94-Y164 PolarHBondContact OG1-OH 3.12Å; I162-Y164 HydrophobicContact CG2-CD2 4.27Å; I162-Y164 HydrophobicContact CG2-CE1 4.26Å; I162-Y164 HydrophobicContact CG2-CE2 3.96Å; Y164-S204 WeakPolarHBondContact CD2-O 3.47Å; Y164-S204 PolarHBondContact N-OG 3.35Å
165E95.8Very high93.2Very high73 Ų7366.3 Ų66.334%0.34135%0.345SS..EExtended strand (participates in β ladder)trans-126.3153.9177.6-68.8174.9176.500110H33 V34 S35 T36 L163H33-E165 IonicContact CE1-OE1 3.56Å; H33-E165 PolarHBondContact CE1-OE1 3.47Å; H33-E165 IonicContact CG-OE1 2.84Å; H33-E165 IonicContact ND1-OE1 2.64Å; H33-E165 PolarHBondContact ND1-OE1 3.29Å; H33-E165 IonicContact ND1-OE2 3.88Å; V34-E165 PolarHBondContact O-N 3.1Å; S35-E165 CarbonylContact C-O 3.57Å; S35-E165 WeakPolarHBondContact CA-O 3.41Å; T36-E165 PolarHBondContact N-O 3.33Å; T36-E165 PolarHBondContact OG1-O 3.08Å; T36-E165 VanDerWaalsContact OG1-O 3.13Å; L163-E165 HydrophobicContact CD2-CG 4.48Å; L163-E165 HydrophobicContact CG-CG 4.47Å
166W96.7Very high92.9Very high47 Ų4765.3 Ų65.318%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-79.3129.1171.3-79.1117.6000109.7V38 F152 P170 L171 N191 S192 L206 V208V38-W166 HydrophobicContact CG2-CH2 4.35Å; V38-W166 HydrophobicContact CG2-CZ3 4.16Å; F152-W166 AromaticContact CE1-CH2 3.75Å; F152-W166 HydrophobicContact CE1-CH2 3.75Å; F152-W166 HydrophobicContact CE1-CZ2 4.33Å; F152-W166 HydrophobicContact CE1-CZ3 4.48Å; F152-W166 AromaticContact CZ-CH2 3.67Å; F152-W166 HydrophobicContact CZ-CH2 3.67Å; F152-W166 HydrophobicContact CZ-CZ2 4.23Å; F152-W166 HydrophobicContact CZ-CZ3 4.06Å; W166-P170 HydrophobicContact CB-CB 4.03Å; W166-P170 HydrophobicContact CD2-CB 3.81Å; W166-P170 HydrophobicContact CE3-CB 3.39Å; W166-P170 HydrophobicContact CG-CB 4.09Å; W166-P170 HydrophobicContact CZ3-CB 4.13Å; W166-L171 HydrophobicContact CH2-CD2 4.13Å; W166-L171 HydrophobicContact CZ3-CD2 4.11Å; W166-N191 HydrophobicContact CD2-CB 4.02Å; W166-N191 HydrophobicContact CG-CB 4.41Å; W166-N191 HydrophobicContact CH2-CB 4.44Å; W166-N191 HydrophobicContact CZ2-CB 3.86Å; W166-S192 PolarHBondContact NE1-O 2.95Å; W166-L206 HydrophobicContact CD2-CD1 4.05Å; W166-L206 HydrophobicContact CE3-CD1 4.44Å; W166-L206 HydrophobicContact CG-CD1 4.34Å; W166-L206 HydrophobicContact CG-CD2 4.5Å; W166-L206 HydrophobicContact CH2-CB 4.44Å; W166-L206 HydrophobicContact CZ2-CB 3.78Å; W166-L206 HydrophobicContact CZ2-CD1 4.4Å; W166-V208 HydrophobicContact CH2-CG2 3.63Å; W166-V208 HydrophobicContact CZ2-CG2 4.13Å
167S94.6Very high92.6Very high24 Ų2462.5 Ų62.517%0.16832%0.318CS..EExtended strand (participates in β ladder)trans-65.3160.9170-172.70000111.1T36 T169 P170T36-S167 VanDerWaalsContact O-CB 3.31Å; T36-S167 WeakPolarHBondContact O-CB 3.21Å; T36-S167 PolarHBondContact O-N 3.03Å; S167-T169 CarbonylContact O-C 3.4Å; S167-T169 PolarHBondContact O-N 2.91Å; S167-P170 WeakPolarHBondContact O-CD 3.37Å
168N90.8Very high92.4Very high168 Ų16863.5 Ų63.590%0.89832%0.324SS*.EExtended strand (participates in β ladder)trans-50.7-31.4179.2-67.4-12.2000113.4P170N168-P170 WeakPolarHBondContact O-CD 3.22Å
169T91.3Very high91.8Very high104 Ų10466.3 Ų66.364%0.63835%0.345SS*.EExtended strand (participates in β ladder)trans-115.285.9169.754.60000108.5S37 S167S37-T169 VanDerWaalsContact CB-O 3.29Å; S37-T169 WeakPolarHBondContact CB-O 3.31Å; S167-T169 CarbonylContact O-C 3.4Å; S167-T169 PolarHBondContact O-N 2.91Å
170P92Very high91.2Very high27 Ų2765.5 Ų65.518%0.17535%0.346CS..EExtended strand (participates in β ladder)trans-73.7-41.8-168.126.1-33.4000112.7S37 V38 W166 S167 N168 N191S37-P170 CarbonylContact C-O 3.29Å; S37-P170 VanDerWaalsContact CA-O 3.32Å; S37-P170 WeakPolarHBondContact CA-O 3.35Å; V38-P170 PolarHBondContact N-O 2.99Å; W166-P170 HydrophobicContact CB-CB 4.03Å; W166-P170 HydrophobicContact CD2-CB 3.81Å; W166-P170 HydrophobicContact CE3-CB 3.39Å; W166-P170 HydrophobicContact CG-CB 4.09Å; W166-P170 HydrophobicContact CZ3-CB 4.13Å; S167-P170 WeakPolarHBondContact O-CD 3.37Å; N168-P170 WeakPolarHBondContact O-CD 3.22Å; P170-N191 HydrophobicContact CB-CB 4.34Å
171L94.2Very high90.9Very high24 Ų2463 Ų6313%0.12632%0.324CS..EExtended strand (participates in β ladder)trans-126.7130.8-175.5-59.9-178.4000109.4V38 F40 W166 F173 Y189 N191 V208V38-L171 HydrophobicContact CB-CD2 4.09Å; V38-L171 WeakPolarHBondContact O-CA 3.3Å; F40-L171 HydrophobicContact CE2-CD2 4.22Å; W166-L171 HydrophobicContact CH2-CD2 4.13Å; W166-L171 HydrophobicContact CZ3-CD2 4.11Å; L171-F173 HydrophobicContact CB-CE2 4.13Å; L171-Y189 HydrophobicContact CD1-CD2 3.92Å; L171-N191 HydrophobicContact CD1-CB 3.96Å; L171-N191 HydrophobicContact CG-CB 4.16Å; L171-V208 HydrophobicContact CD1-CG1 3.81Å; L171-V208 HydrophobicContact CD2-CB 4.47Å; L171-V208 HydrophobicContact CD2-CG1 3.97Å; L171-V208 HydrophobicContact CD2-CG2 3.68Å
172H93.5Very high90.3Very high103 Ų10364.9 Ų64.948%0.47734%0.34SS..EExtended strand (participates in β ladder)trans-129139.2169.6-173.2-68.3000109.1V38 F39 F40V38-H172 PolarHBondContact O-N 3.44Å; F39-H172 CarbonylContact C-O 3.54Å; F39-H172 WeakPolarHBondContact CA-O 3.44Å; F39-H172 HydrophobicContact CD2-CB 3.72Å; F39-H172 AromaticContact CD2-CG 3.54Å; F39-H172 AromaticContact CD2-ND1 3.32Å; F39-H172 VanDerWaalsContact CD2-ND1 3.32Å; F39-H172 WeakPolarHBondContact CD2-ND1 3.3Å; F39-H172 HydrophobicContact CE2-CB 4.33Å; F39-H172 AromaticContact CE2-CE1 3.36Å; F39-H172 WeakPolarHBondContact CE2-CE1 3.46Å; F39-H172 AromaticContact CE2-CG 3.65Å; F39-H172 AromaticContact CE2-ND1 3.03Å; F39-H172 WeakPolarHBondContact CE2-ND1 3.47Å; F39-H172 HydrophobicContact CG-CB 4.37Å; F39-H172 AromaticContact CZ-CE1 3.93Å; F39-H172 AromaticContact CZ-ND1 3.7Å; F40-H172 PolarHBondContact N-O 3.4Å
173F93.1Very high89.9Confident26 Ų2667.5 Ų67.511%0.11435%0.354CS..EExtended strand (participates in β ladder)trans-118.5129.9175.5-66.9-93.4000109.2F40 L43 L171 A177 F178 Y189 L210F40-F173 HydrophobicContact CB-CD1 3.52Å; F40-F173 HydrophobicContact CB-CE1 3.77Å; F40-F173 HydrophobicContact CB-CG 4.31Å; F40-F173 HydrophobicContact CD1-CE1 4.32Å; F40-F173 AromaticContact CD2-CD1 3.86Å; F40-F173 HydrophobicContact CD2-CD1 3.86Å; F40-F173 AromaticContact CD2-CE1 3.32Å; F40-F173 HydrophobicContact CD2-CE1 3.32Å; F40-F173 HydrophobicContact CD2-CE2 4.22Å; F40-F173 AromaticContact CD2-CZ 3.53Å; F40-F173 HydrophobicContact CD2-CZ 3.53Å; F40-F173 AromaticContact CE2-CE1 3.92Å; F40-F173 HydrophobicContact CE2-CE1 3.92Å; F40-F173 AromaticContact CE2-CZ 3.79Å; F40-F173 HydrophobicContact CE2-CZ 3.79Å; F40-F173 AromaticContact CG-CD1 3.87Å; F40-F173 HydrophobicContact CG-CD1 3.87Å; F40-F173 AromaticContact CG-CE1 3.55Å; F40-F173 HydrophobicContact CG-CE1 3.55Å; F40-F173 HydrophobicContact CG-CZ 4.24Å; L43-F173 HydrophobicContact CD1-CE1 4.44Å; L171-F173 HydrophobicContact CB-CE2 4.13Å; F173-A177 HydrophobicContact CB-CB 4.37Å; F173-A177 HydrophobicContact CD1-CB 4.46Å; F173-F178 HydrophobicContact CB-CE2 4.22Å; F173-F178 HydrophobicContact CB-CZ 3.85Å; F173-F178 AromaticContact CD1-CE1 3.41Å; F173-F178 HydrophobicContact CD1-CE1 3.41Å; F173-F178 VanDerWaalsContact CD1-CE1 3.41Å; F173-F178 HydrophobicContact CD1-CE2 4.45Å; F173-F178 AromaticContact CD1-CZ 3.38Å; F173-F178 HydrophobicContact CD1-CZ 3.38Å; F173-F178 HydrophobicContact CD2-CZ 4.22Å; F173-F178 AromaticContact CE1-CE1 3.71Å; F173-F178 HydrophobicContact CE1-CE1 3.71Å; F173-F178 AromaticContact CE1-CZ 3.95Å; F173-F178 HydrophobicContact CE1-CZ 3.95Å; F173-F178 HydrophobicContact CG-CE1 4.09Å; F173-F178 HydrophobicContact CG-CE2 4.39Å; F173-F178 AromaticContact CG-CZ 3.54Å; F173-F178 HydrophobicContact CG-CZ 3.54Å; F173-Y189 HydrophobicContact CD2-CD1 4.2Å; F173-Y189 HydrophobicContact CD2-CD2 4.44Å; F173-Y189 AromaticContact CD2-CE1 3.89Å; F173-Y189 HydrophobicContact CD2-CE1 3.89Å; F173-Y189 HydrophobicContact CD2-CE2 4.14Å; F173-Y189 HydrophobicContact CD2-CG 4.46Å; F173-Y189 AromaticContact CD2-CZ 3.86Å; F173-Y189 AromaticContact CE2-CD1 3.67Å; F173-Y189 HydrophobicContact CE2-CD1 3.67Å; F173-Y189 AromaticContact CE2-CD2 3.56Å; F173-Y189 HydrophobicContact CE2-CD2 3.56Å; F173-Y189 AromaticContact CE2-CE1 3.79Å; F173-Y189 HydrophobicContact CE2-CE1 3.79Å; F173-Y189 AromaticContact CE2-CE2 3.68Å; F173-Y189 HydrophobicContact CE2-CE2 3.68Å; F173-Y189 AromaticContact CE2-CG 3.55Å; F173-Y189 HydrophobicContact CE2-CG 3.55Å; F173-Y189 AromaticContact CE2-CZ 3.79Å; F173-Y189 HydrophobicContact CZ-CD1 4.04Å; F173-Y189 HydrophobicContact CZ-CD2 4.23Å; F173-Y189 AromaticContact CZ-CG 3.86Å; F173-Y189 HydrophobicContact CZ-CG 3.86Å; F173-L210 HydrophobicContact CE1-CD2 4.33Å; F173-L210 HydrophobicContact CZ-CD2 4.05Å
174E91.7Very high89.7Confident88 Ų8865.3 Ų65.341%0.41134%0.342SS..  trans-64.2149.9171.8-167.1165.8172.900110.4F39 F40 S41 Y176 A177F39-E174 HydrophobicContact CE1-CB 4.09Å; F39-E174 HydrophobicContact CZ-CB 4.3Å; F40-E174 WeakPolarHBondContact O-CB 3.4Å; F40-E174 PolarHBondContact O-N 3Å; S41-E174 WeakPolarHBondContact CA-OE2 3.46Å; S41-E174 WeakPolarHBondContact CB-OE2 3.47Å; S41-E174 PolarHBondContact OG-OE2 3.01Å; E174-Y176 PolarHBondContact O-N 3.41Å; E174-A177 HydrophobicContact CB-CB 4.19Å; E174-A177 WeakPolarHBondContact O-CB 3.34Å; E174-A177 PolarHBondContact O-N 3.26Å
175K86.9Confident89.5Confident168 Ų16870.5 Ų70.573%0.7337%0.367SS*.THydrogen-bonded Turntrans-53-29.8-171.7-174.9-177.7176.4-162.40114.1
176Y86.3Confident89.3Confident150 Ų15068.2 Ų68.259%0.58836%0.357SS*.THydrogen-bonded Turntrans-113.615.5-179.9-58.3-74.4000113E174 F178 S179E174-Y176 PolarHBondContact O-N 3.41Å; Y176-F178 PolarHBondContact O-N 3.49Å; Y176-F178 VanDerWaalsContact O-N 3.17Å; Y176-S179 WeakPolarHBondContact O-CB 3.05Å; Y176-S179 PolarHBondContact O-N 2.84Å; Y176-S179 PolarHBondContact O-OG 3.39Å
177A86.5Confident89Confident0 Ų071.4 Ų71.40%037%0.373CS..THydrogen-bonded Turntrans-59.7-30.5-177.200000113S41 A42 L43 F173 E174S41-A177 WeakPolarHBondContact O-CA 3.32Å; A42-A177 CarbonylContact C-O 3.56Å; L43-A177 PolarHBondContact N-O 2.93Å; F173-A177 HydrophobicContact CB-CB 4.37Å; F173-A177 HydrophobicContact CD1-CB 4.46Å; E174-A177 HydrophobicContact CB-CB 4.19Å; E174-A177 WeakPolarHBondContact O-CB 3.34Å; E174-A177 PolarHBondContact O-N 3.26Å
178F88.4Confident89Confident72 Ų7271.7 Ų71.732%0.31638%0.376SS..THydrogen-bonded Turntrans-84.8-12.2178.4-51.5-55.9000113.8L43 F173 Y176 G180 L181 V186 Y189L43-F178 HydrophobicContact CD1-CD1 4.02Å; L43-F178 HydrophobicContact CD1-CE1 4.04Å; F173-F178 HydrophobicContact CB-CE2 4.22Å; F173-F178 HydrophobicContact CB-CZ 3.85Å; F173-F178 AromaticContact CD1-CE1 3.41Å; F173-F178 HydrophobicContact CD1-CE1 3.41Å; F173-F178 VanDerWaalsContact CD1-CE1 3.41Å; F173-F178 HydrophobicContact CD1-CE2 4.45Å; F173-F178 AromaticContact CD1-CZ 3.38Å; F173-F178 HydrophobicContact CD1-CZ 3.38Å; F173-F178 HydrophobicContact CD2-CZ 4.22Å; F173-F178 AromaticContact CE1-CE1 3.71Å; F173-F178 HydrophobicContact CE1-CE1 3.71Å; F173-F178 AromaticContact CE1-CZ 3.95Å; F173-F178 HydrophobicContact CE1-CZ 3.95Å; F173-F178 HydrophobicContact CG-CE1 4.09Å; F173-F178 HydrophobicContact CG-CE2 4.39Å; F173-F178 AromaticContact CG-CZ 3.54Å; F173-F178 HydrophobicContact CG-CZ 3.54Å; Y176-F178 PolarHBondContact O-N 3.49Å; Y176-F178 VanDerWaalsContact O-N 3.17Å; F178-G180 PolarHBondContact O-N 3.41Å; F178-G180 VanDerWaalsContact O-N 3.12Å; F178-L181 WeakPolarHBondContact O-CB 3.32Å; F178-L181 PolarHBondContact O-N 3.25Å; F178-L181 VanDerWaalsContact O-N 3.12Å; F178-V186 HydrophobicContact CD1-CB 3.99Å; F178-V186 HydrophobicContact CD1-CG2 3.47Å; F178-V186 VanDerWaalsContact CD1-CG2 3.47Å; F178-V186 HydrophobicContact CE1-CB 4Å; F178-V186 HydrophobicContact CE1-CG1 4.17Å; F178-V186 HydrophobicContact CE1-CG2 3.74Å; F178-V186 HydrophobicContact CG-CG2 4.33Å; F178-Y189 HydrophobicContact CZ-CE1 4.46Å
179S82.8Confident89.1Confident92 Ų9269.1 Ų69.164%0.64336%0.355SS*.THydrogen-bonded Turntrans-69-11-174-570000114.4Y176 L181Y176-S179 WeakPolarHBondContact O-CB 3.05Å; Y176-S179 PolarHBondContact O-N 2.84Å; Y176-S179 PolarHBondContact O-OG 3.39Å; S179-L181 VanDerWaalsContact C-N 3.32Å
180G81Confident89.3Confident33 Ų3371.1 Ų71.134%0.3435%0.35SS..THydrogen-bonded Turntrans-80.5-6.5172.800000114.7L43 A45 F178L43-G180 CarbonylContact O-C 3.58Å; L43-G180 WeakPolarHBondContact O-CA 3.43Å; A45-G180 PolarHBondContact N-O 3.17Å; F178-G180 PolarHBondContact O-N 3.41Å; F178-G180 VanDerWaalsContact O-N 3.12Å
181L85.1Confident89.5Confident16 Ų1673.1 Ų73.18%0.08436%0.36CS..  trans-92100.4177.7-61.1172000110L43 N44 V46 F178 S179 F184 V186 M212L43-L181 HydrophobicContact CB-CD1 4.22Å; L43-L181 HydrophobicContact CB-CD2 4.29Å; L43-L181 HydrophobicContact CB-CG 4.22Å; N44-L181 WeakPolarHBondContact O-CD2 3.49Å; V46-L181 HydrophobicContact CG2-CD2 4.07Å; F178-L181 WeakPolarHBondContact O-CB 3.32Å; F178-L181 PolarHBondContact O-N 3.25Å; F178-L181 VanDerWaalsContact O-N 3.12Å; S179-L181 VanDerWaalsContact C-N 3.32Å; L181-F184 HydrophobicContact CB-CB 4.4Å; L181-F184 VanDerWaalsContact CB-O 3.27Å; L181-F184 WeakPolarHBondContact CB-O 3.25Å; L181-V186 HydrophobicContact CD1-CG2 3.69Å; L181-M212 HydrophobicContact CD1-SD 4.39Å; L181-M212 HydrophobicContact CD2-SD 4.49Å
182S79.9Confident89.5Confident83 Ų8373.9 Ų73.958%0.5837%0.367SS*.SBendtrans-75.7-32.4-179.664.40000113.9
183N86.2Confident89.5Confident57 Ų5773.6 Ų73.631%0.30538%0.377SS..SBendtrans-114.5-0.7-169.3-58.7-6.4000112.9L215N183-L215 PolarHBondContact O-N 3.05Å
184F91.5Very high89.5Confident9 Ų973.6 Ų73.64%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-138.3149.8-173.3-72.9-88.3000111.5V46 E48 Q146 L181 M212 R213 R214V46-F184 HydrophobicContact CB-CD2 3.95Å; V46-F184 HydrophobicContact CB-CE2 3.66Å; V46-F184 HydrophobicContact CB-CZ 4.45Å; V46-F184 HydrophobicContact CG1-CE2 3.86Å; V46-F184 HydrophobicContact CG1-CZ 4.21Å; V46-F184 HydrophobicContact CG2-CD2 3.95Å; V46-F184 HydrophobicContact CG2-CE2 4.06Å; E48-F184 HydrophobicContact CG-CZ 4.49Å; E48-F184 VanDerWaalsContact OE1-CE2 3.32Å; E48-F184 WeakPolarHBondContact OE1-CE2 3.36Å; Q146-F184 HydrophobicContact CG-CE1 4.27Å; L181-F184 HydrophobicContact CB-CB 4.4Å; L181-F184 VanDerWaalsContact CB-O 3.27Å; L181-F184 WeakPolarHBondContact CB-O 3.25Å; F184-M212 HydrophobicContact CB-CB 4.43Å; F184-M212 HydrophobicContact CD1-CB 3.93Å; F184-M212 HydrophobicContact CG-CB 4.49Å; F184-R213 CarbonylContact C-O 3.54Å; F184-R213 VanDerWaalsContact CA-O 3.31Å; F184-R213 WeakPolarHBondContact CA-O 3.43Å; F184-R214 HydrophobicContact CD1-CB 4.28Å; F184-R214 HydrophobicContact CE1-CB 4.15Å; F184-R214 VanDerWaalsContact CZ-CZ 3.46Å; F184-R214 VanDerWaalsContact CZ-NH1 3.32Å
185E91Very high89.5Confident117 Ų11773.4 Ų73.455%0.54739%0.385SS..EExtended strand (participates in β ladder)trans-118.1138.7170.2-178.8177.7-161.200109K187 M212 R213 L215E185-K187 PolarHBondContact O-N 3.1Å; E185-M212 CarbonylContact O-C 3.53Å; E185-M212 WeakPolarHBondContact O-CA 3.26Å; E185-R213 PolarHBondContact N-O 2.76Å; E185-R213 PolarHBondContact O-N 3.03Å; E185-L215 HydrophobicContact CB-CD2 4.23Å
186V91.5Very high89.6Confident24 Ų2467.6 Ų67.615%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-80.4106.8174-179.30000108.8L43 F178 L181 Y189 M212L43-V186 HydrophobicContact CD1-CG2 4.1Å; F178-V186 HydrophobicContact CD1-CB 3.99Å; F178-V186 HydrophobicContact CD1-CG2 3.47Å; F178-V186 VanDerWaalsContact CD1-CG2 3.47Å; F178-V186 HydrophobicContact CE1-CB 4Å; F178-V186 HydrophobicContact CE1-CG1 4.17Å; F178-V186 HydrophobicContact CE1-CG2 3.74Å; F178-V186 HydrophobicContact CG-CG2 4.33Å; L181-V186 HydrophobicContact CD1-CG2 3.69Å; V186-Y189 HydrophobicContact CG1-CD1 4.42Å; V186-M212 HydrophobicContact CG2-CG 4.25Å
187K91.4Very high89.9Confident115 Ų11567.5 Ų67.550%0.537%0.368SS..EExtended strand (participates in β ladder)trans-73.4-40.3179177.4179.1175179.50111.8E145 E185 Q211E145-K187 WeakPolarHBondContact OE1-CD 3.4Å; E145-K187 IonicContact OE1-NZ 3.67Å; E145-K187 PolarHBondContact OE1-NZ 3.31Å; E145-K187 IonicContact OE2-NZ 2.71Å; E145-K187 PolarHBondContact OE2-NZ 3.33Å; E185-K187 PolarHBondContact O-N 3.1Å; K187-Q211 PolarHBondContact N-O 2.63Å
188A93.4Very high90.2Very high29 Ų2970.9 Ų70.924%0.2439%0.389CS..EExtended strand (participates in β ladder)trans-159.3159.7177.200000110.9Q211A188-Q211 HydrophobicContact CB-CB 4.33Å; A188-Q211 PolarHBondContact N-O 3.27Å; A188-Q211 WeakPolarHBondContact O-CB 3.38Å; A188-Q211 PolarHBondContact O-N 3.44Å
189Y94.2Very high90.4Very high114 Ų11473 Ų7345%0.44742%0.419SS..EExtended strand (participates in β ladder)trans-134.8148.4167.654.9-97.6000109.8L171 F173 F178 V186 E209L171-Y189 HydrophobicContact CD1-CD2 3.92Å; F173-Y189 HydrophobicContact CD2-CD1 4.2Å; F173-Y189 HydrophobicContact CD2-CD2 4.44Å; F173-Y189 AromaticContact CD2-CE1 3.89Å; F173-Y189 HydrophobicContact CD2-CE1 3.89Å; F173-Y189 HydrophobicContact CD2-CE2 4.14Å; F173-Y189 HydrophobicContact CD2-CG 4.46Å; F173-Y189 AromaticContact CD2-CZ 3.86Å; F173-Y189 AromaticContact CE2-CD1 3.67Å; F173-Y189 HydrophobicContact CE2-CD1 3.67Å; F173-Y189 AromaticContact CE2-CD2 3.56Å; F173-Y189 HydrophobicContact CE2-CD2 3.56Å; F173-Y189 AromaticContact CE2-CE1 3.79Å; F173-Y189 HydrophobicContact CE2-CE1 3.79Å; F173-Y189 AromaticContact CE2-CE2 3.68Å; F173-Y189 HydrophobicContact CE2-CE2 3.68Å; F173-Y189 AromaticContact CE2-CG 3.55Å; F173-Y189 HydrophobicContact CE2-CG 3.55Å; F173-Y189 AromaticContact CE2-CZ 3.79Å; F173-Y189 HydrophobicContact CZ-CD1 4.04Å; F173-Y189 HydrophobicContact CZ-CD2 4.23Å; F173-Y189 AromaticContact CZ-CG 3.86Å; F173-Y189 HydrophobicContact CZ-CG 3.86Å; F178-Y189 HydrophobicContact CZ-CE1 4.46Å; V186-Y189 HydrophobicContact CG1-CD1 4.42Å; Y189-E209 CarbonylContact C-O 3.58Å; Y189-E209 VanDerWaalsContact CA-O 3.23Å; Y189-E209 WeakPolarHBondContact CA-O 3.36Å
190R95.6Very high90.9Very high146 Ų14673.7 Ų73.755%0.55142%0.42SS*.EExtended strand (participates in β ladder)trans-141145.2179.2-60.5179.6177.6-177-1.6110.5E209R190-E209 HydrophobicContact CB-CB 4.26Å; R190-E209 PolarHBondContact N-O 2.97Å; R190-E209 PolarHBondContact O-N 3.22Å
191N95Very high91.5Very high70 Ų7073.3 Ų73.337%0.37442%0.415SS..EExtended strand (participates in β ladder)trans-100.2134.1167.364.5-56.7000109.3W166 P170 L171W166-N191 HydrophobicContact CD2-CB 4.02Å; W166-N191 HydrophobicContact CG-CB 4.41Å; W166-N191 HydrophobicContact CH2-CB 4.44Å; W166-N191 HydrophobicContact CZ2-CB 3.86Å; P170-N191 HydrophobicContact CB-CB 4.34Å; L171-N191 HydrophobicContact CD1-CB 3.96Å; L171-N191 HydrophobicContact CG-CB 4.16Å
192S94.6Very high92Very high40 Ų4076.4 Ų76.428%0.2843%0.429SS..EExtended strand (participates in β ladder)trans-136.216117549.90000110.6W166 R207W166-S192 PolarHBondContact NE1-O 2.95Å; S192-R207 PolarHBondContact N-O 3.41Å; S192-R207 PolarHBondContact O-N 2.96Å; S192-R207 WeakPolarHBondContact OG-CB 3.34Å; S192-R207 WeakPolarHBondContact OG-CG 3.37Å; S192-R207 PolarHBondContact OG-O 2.87Å
193S93.8Very high92.7Very high97 Ų9773.3 Ų73.368%0.67841%0.405SS*.EExtended strand (participates in β ladder)trans-99.5152.1166.950.30000110
194C92.9Very high93.2Very high25 Ų2571 Ų7117%0.16939%0.393CS..EExtended strand (participates in β ladder)trans-138.2159.8179.3330000109.6C205 L206C194-C205 HydrophobicContact CB-CB 3.73Å; C194-C205 WeakPolarHBondContact CB-SG 3.32Å; C194-C205 PolarHBondContact N-O 2.86Å; C194-C205 CarbonylContact O-C 3.6Å; C194-C205 WeakPolarHBondContact O-CA 3.1Å; C194-C205 VanDerWaalsContact O-CB 3.29Å; C194-C205 WeakPolarHBondContact O-CB 3.48Å; C194-C205 PolarHBondContact O-N 3.23Å; C194-C205 WeakPolarHBondContact SG-CB 3.44Å; C194-C205 PolarHBondContact SG-O 3.18Å; C194-C205 CovalentContact SG-SG 2.05Å; C194-C205 PolarHBondContact SG-SG 2.62Å; C194-L206 PolarHBondContact SG-N 3.32Å
195T91.5Very high93.3Very high85 Ų8570.9 Ų70.952%0.52139%0.393SS..EExtended strand (participates in β ladder)trans-124.3118.5170-53.80000107.5K197 E202T195-K197 HydrophobicContact CG2-CG 4.49Å; T195-E202 HydrophobicContact CG2-CB 4.17Å
196S90.1Very high93.6Very high45 Ų4565.4 Ų65.432%0.31537%0.368SS..EExtended strand (participates in β ladder)trans-90.3116175-173.30000108.7Y203S196-Y203 PolarHBondContact N-O 2.95Å; S196-Y203 PolarHBondContact O-N 3.46Å
197K92.1Very high93.8Very high149 Ų14968 Ų6865%0.64838%0.375SS*.EExtended strand (participates in β ladder)trans-98.7120.3174.1-55.3-159.7-177.2-153.90108.8T195 E202T195-K197 HydrophobicContact CG2-CG 4.49Å; K197-E202 HydrophobicContact CD-CG 4.19Å; K197-E202 WeakPolarHBondContact CD-OE1 3.3Å; K197-E202 VanDerWaalsContact CE-CD 3.47Å; K197-E202 WeakPolarHBondContact CE-OE1 3.49Å; K197-E202 HydrophobicContact CG-CG 4.06Å; K197-E202 IonicContact NZ-OE1 3.57Å; K197-E202 PolarHBondContact NZ-OE1 2.86Å; K197-E202 IonicContact NZ-OE2 2.75Å
198T91.4Very high94.1Very high71 Ų7162.6 Ų62.644%0.43635%0.352SS..EExtended strand (participates in β ladder)trans-124.1176.5177.269.80000109.8T200 G201 Y203T198-T200 PolarHBondContact O-N 3.37Å; T198-T200 PolarHBondContact OG1-N 3.12Å; T198-T200 PolarHBondContact OG1-OG1 3.48Å; T198-G201 PolarHBondContact N-O 3.43Å; T198-G201 PolarHBondContact O-N 3.23Å; T198-G201 PolarHBondContact OG1-O 2.97Å; T198-Y203 HydrophobicContact CG2-CD2 4.49Å; T198-Y203 VanDerWaalsContact OG1-CE2 3.31Å; T198-Y203 WeakPolarHBondContact OG1-CE2 3.32Å
199A93.5Very high94.2Very high116 Ų11662.8 Ų62.896%0.95935%0.348SS*.THydrogen-bonded Turntrans-63.5-18.7177.300000113.9
200T93.4Very high94.2Very high107 Ų10757.4 Ų57.466%0.65633%0.326SS*.THydrogen-bonded Turntrans-94.7-15.7-179.651.50000113.8T198 Y203T198-T200 PolarHBondContact O-N 3.37Å; T198-T200 PolarHBondContact OG1-N 3.12Å; T198-T200 PolarHBondContact OG1-OG1 3.48Å; T200-Y203 WeakPolarHBondContact OG1-CE2 3.27Å; T200-Y203 PolarHBondContact OG1-OH 3.05Å
201G93.6Very high94.2Very high24 Ų2452.3 Ų52.325%0.24731%0.309CS..EExtended strand (participates in β ladder)trans154.6-170.3179.500000114.2T198 Y203T198-G201 PolarHBondContact N-O 3.43Å; T198-G201 PolarHBondContact O-N 3.23Å; T198-G201 PolarHBondContact OG1-O 2.97Å; G201-Y203 WeakPolarHBondContact O-CD2 3.49Å
202E95.4Very high94.1Very high81 Ų8149.1 Ų49.138%0.37929%0.292SS..EExtended strand (participates in β ladder)trans-98.7134.3171.5-55.4-162-179.100110.2T158 T159 T195 K197T158-E202 CarbonylContact C-O 3.53Å; T158-E202 WeakPolarHBondContact CA-O 3.38Å; T158-E202 WeakPolarHBondContact CB-O 3.42Å; T159-E202 HydrophobicContact CG2-CB 4.33Å; T159-E202 PolarHBondContact N-O 3.11Å; T159-E202 PolarHBondContact OG1-O 3.44Å; T195-E202 HydrophobicContact CG2-CB 4.17Å; K197-E202 HydrophobicContact CD-CG 4.19Å; K197-E202 WeakPolarHBondContact CD-OE1 3.3Å; K197-E202 VanDerWaalsContact CE-CD 3.47Å; K197-E202 WeakPolarHBondContact CE-OE1 3.49Å; K197-E202 HydrophobicContact CG-CG 4.06Å; K197-E202 IonicContact NZ-OE1 3.57Å; K197-E202 PolarHBondContact NZ-OE1 2.86Å; K197-E202 IonicContact NZ-OE2 2.75Å
203Y95.7Very high94Very high19 Ų1953.2 Ų53.28%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-123.6134.3-175.2-65.8-99.8000110.5S154 Y155 Y157 S196 T198 T200 G201S154-Y203 VanDerWaalsContact O-CD1 3.32Å; S154-Y203 WeakPolarHBondContact O-CD1 3.35Å; Y155-Y203 WeakPolarHBondContact O-CE1 3.27Å; Y157-Y203 WeakPolarHBondContact O-CD1 3.42Å; S196-Y203 PolarHBondContact N-O 2.95Å; S196-Y203 PolarHBondContact O-N 3.46Å; T198-Y203 HydrophobicContact CG2-CD2 4.49Å; T198-Y203 VanDerWaalsContact OG1-CE2 3.31Å; T198-Y203 WeakPolarHBondContact OG1-CE2 3.32Å; T200-Y203 WeakPolarHBondContact OG1-CE2 3.27Å; T200-Y203 PolarHBondContact OG1-OH 3.05Å; G201-Y203 WeakPolarHBondContact O-CD2 3.49Å
204S94.7Very high94Very high7 Ų748.9 Ų48.95%0.04927%0.27CS..EExtended strand (participates in β ladder)trans-69.3131.2174.7-1770000110V153 Y164V153-S204 WeakPolarHBondContact CG1-O 3.31Å; Y164-S204 WeakPolarHBondContact CD2-O 3.47Å; Y164-S204 PolarHBondContact N-OG 3.35Å
205C95.2Very high93.9Very high7 Ų750.9 Ų50.95%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-132.9143.1-175162.90000109.1F152 V153 C194F152-C205 WeakPolarHBondContact O-CA 3.49Å; V153-C205 HydrophobicContact CG1-CB 4.31Å; V153-C205 HydrophobicContact CG2-CB 3.78Å; C194-C205 HydrophobicContact CB-CB 3.73Å; C194-C205 WeakPolarHBondContact CB-SG 3.32Å; C194-C205 PolarHBondContact N-O 2.86Å; C194-C205 CarbonylContact O-C 3.6Å; C194-C205 WeakPolarHBondContact O-CA 3.1Å; C194-C205 VanDerWaalsContact O-CB 3.29Å; C194-C205 WeakPolarHBondContact O-CB 3.48Å; C194-C205 PolarHBondContact O-N 3.23Å; C194-C205 WeakPolarHBondContact SG-CB 3.44Å; C194-C205 PolarHBondContact SG-O 3.18Å; C194-C205 CovalentContact SG-SG 2.05Å; C194-C205 PolarHBondContact SG-SG 2.62Å
206L96.6Very high93.9Very high2 Ų248.6 Ų48.61%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-124145.2168.2-64.4-178.6000109.9T36 D151 F152 W166 C194T36-L206 WeakPolarHBondContact OG1-CD1 3.22Å; D151-L206 WeakPolarHBondContact CA-O 3.31Å; F152-L206 HydrophobicContact CD2-CB 4.25Å; F152-L206 HydrophobicContact CE1-CB 4.03Å; F152-L206 HydrophobicContact CE2-CB 3.66Å; F152-L206 HydrophobicContact CE2-CD1 3.83Å; F152-L206 HydrophobicContact CE2-CG 4.2Å; F152-L206 HydrophobicContact CZ-CB 3.54Å; F152-L206 HydrophobicContact CZ-CD1 3.94Å; F152-L206 HydrophobicContact CZ-CG 4.35Å; F152-L206 PolarHBondContact N-O 3.26Å; F152-L206 PolarHBondContact O-N 3.5Å; W166-L206 HydrophobicContact CD2-CD1 4.05Å; W166-L206 HydrophobicContact CE3-CD1 4.44Å; W166-L206 HydrophobicContact CG-CD1 4.34Å; W166-L206 HydrophobicContact CG-CD2 4.5Å; W166-L206 HydrophobicContact CH2-CB 4.44Å; W166-L206 HydrophobicContact CZ2-CB 3.78Å; W166-L206 HydrophobicContact CZ2-CD1 4.4Å; C194-L206 PolarHBondContact SG-N 3.32Å
207R96.5Very high93.8Very high80 Ų8050.4 Ų50.430%0.30227%0.274SS..EExtended strand (participates in β ladder)trans-130.5129-170.5167.1168.6-72.8169.21.5110.9Y149 D151 S192Y149-R207 HydrophobicContact CD1-CG 3.95Å; D151-R207 VanDerWaalsContact OD1-CB 3.27Å; D151-R207 WeakPolarHBondContact OD1-CB 3.41Å; D151-R207 WeakPolarHBondContact OD1-CG 3.44Å; D151-R207 IonicContact OD1-CZ 3.37Å; D151-R207 IonicContact OD1-NE 2.74Å; D151-R207 PolarHBondContact OD1-NE 3.45Å; D151-R207 IonicContact OD1-NH2 2.83Å; D151-R207 IonicContact OD2-CZ 2.74Å; D151-R207 IonicContact OD2-NE 2.78Å; D151-R207 PolarHBondContact OD2-NE 3.41Å; D151-R207 IonicContact OD2-NH2 3.7Å; D151-R207 PolarHBondContact OD2-NH2 3.45Å; S192-R207 PolarHBondContact N-O 3.41Å; S192-R207 PolarHBondContact O-N 2.96Å; S192-R207 WeakPolarHBondContact OG-CB 3.34Å; S192-R207 WeakPolarHBondContact OG-CG 3.37Å; S192-R207 PolarHBondContact OG-O 2.87Å
208V96.5Very high93.7Very high0 Ų047.8 Ų47.80%026%0.263CS..EExtended strand (participates in β ladder)trans-101.8118.2164.7-171.10000108.2F40 Y149 L150 W166 L171 L210F40-V208 HydrophobicContact CE2-CG1 4.24Å; F40-V208 HydrophobicContact CZ-CG1 4.21Å; Y149-V208 WeakPolarHBondContact CA-O 3.13Å; L150-V208 HydrophobicContact CB-CB 4.14Å; L150-V208 HydrophobicContact CD2-CB 4.43Å; L150-V208 HydrophobicContact CD2-CG2 4.02Å; L150-V208 PolarHBondContact N-O 2.86Å; L150-V208 PolarHBondContact O-N 3.44Å; W166-V208 HydrophobicContact CH2-CG2 3.63Å; W166-V208 HydrophobicContact CZ2-CG2 4.13Å; L171-V208 HydrophobicContact CD1-CG1 3.81Å; L171-V208 HydrophobicContact CD2-CB 4.47Å; L171-V208 HydrophobicContact CD2-CG1 3.97Å; L171-V208 HydrophobicContact CD2-CG2 3.68Å; V208-L210 HydrophobicContact CG1-CD2 4.11Å; V208-L210 HydrophobicContact CG1-CG 4.38Å
209E96Very high93.7Very high34 Ų3445 Ų4516%0.15925%0.245CC..EExtended strand (participates in β ladder)trans-93.1122.2173.4-175-172.5167.400108.9T147 Y149 Y189 R190 Q211T147-E209 HydrophobicContact CG2-CG 3.4Å; T147-E209 WeakPolarHBondContact CG2-OE1 3.36Å; Y149-E209 HydrophobicContact CD1-CB 4.29Å; Y149-E209 HydrophobicContact CD1-CG 4.29Å; Y149-E209 HydrophobicContact CE1-CB 4.3Å; Y149-E209 HydrophobicContact CE1-CG 3.89Å; Y189-E209 CarbonylContact C-O 3.58Å; Y189-E209 VanDerWaalsContact CA-O 3.23Å; Y189-E209 WeakPolarHBondContact CA-O 3.36Å; R190-E209 HydrophobicContact CB-CB 4.26Å; R190-E209 PolarHBondContact N-O 2.97Å; R190-E209 PolarHBondContact O-N 3.22Å; E209-Q211 HydrophobicContact CG-CG 4.35Å; E209-Q211 PolarHBondContact OE1-NE2 3.43Å
210L94.4Very high93.6Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-112.8110.7174.9-61.6175.9000108.7L43 F53 T147 C148 F173 V208L43-L210 HydrophobicContact CD1-CD1 3.99Å; L43-L210 HydrophobicContact CD2-CD1 4.07Å; F53-L210 HydrophobicContact CE2-CD1 3.93Å; F53-L210 HydrophobicContact CZ-CD1 4.47Å; T147-L210 WeakPolarHBondContact CA-O 3.36Å; C148-L210 PolarHBondContact N-O 3.16Å; C148-L210 PolarHBondContact O-N 3.17Å; F173-L210 HydrophobicContact CE1-CD2 4.33Å; F173-L210 HydrophobicContact CZ-CD2 4.05Å; V208-L210 HydrophobicContact CG1-CD2 4.11Å; V208-L210 HydrophobicContact CG1-CG 4.38Å
211Q94.9Very high93.6Very high39 Ų3943.7 Ų43.718%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-92.9110.6176.1-62.5-174.9-9.700109.1T147 K187 A188 E209T147-Q211 HydrophobicContact CG2-CG 4.36Å; K187-Q211 PolarHBondContact N-O 2.63Å; A188-Q211 HydrophobicContact CB-CB 4.33Å; A188-Q211 PolarHBondContact N-O 3.27Å; A188-Q211 WeakPolarHBondContact O-CB 3.38Å; A188-Q211 PolarHBondContact O-N 3.44Å; E209-Q211 HydrophobicContact CG-CG 4.35Å; E209-Q211 PolarHBondContact OE1-NE2 3.43Å
212M92.9Very high93.5Very high3 Ų347.8 Ų47.82%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-112.3130.3-176.6-63.8-175.3-65.700110.7V46 E145 Q146 C148 L181 F184 E185 V186V46-M212 HydrophobicContact CG2-CE 3.83Å; V46-M212 HydrophobicContact CG2-SD 4.01Å; E145-M212 CarbonylContact C-O 3.59Å; E145-M212 WeakPolarHBondContact CA-O 3.28Å; Q146-M212 PolarHBondContact N-O 2.96Å; Q146-M212 PolarHBondContact O-N 2.98Å; C148-M212 HydrophobicContact CB-CE 3.96Å; C148-M212 WeakPolarHBondContact SG-CE 3.48Å; L181-M212 HydrophobicContact CD1-SD 4.39Å; L181-M212 HydrophobicContact CD2-SD 4.49Å; F184-M212 HydrophobicContact CB-CB 4.43Å; F184-M212 HydrophobicContact CD1-CB 3.93Å; F184-M212 HydrophobicContact CG-CB 4.49Å; E185-M212 CarbonylContact O-C 3.53Å; E185-M212 WeakPolarHBondContact O-CA 3.26Å; V186-M212 HydrophobicContact CG2-CG 4.25Å
213R93.1Very high93.4Very high126 Ų12644.1 Ų44.148%0.47521%0.212SC..EExtended strand (participates in β ladder)trans-103.2135.2174.6179.4176.7-179.9173.55.8109.6E145 F184 E185E145-R213 HydrophobicContact CG-CB 4.26Å; E145-R213 HydrophobicContact CG-CG 4.21Å; F184-R213 CarbonylContact C-O 3.54Å; F184-R213 VanDerWaalsContact CA-O 3.31Å; F184-R213 WeakPolarHBondContact CA-O 3.43Å; E185-R213 PolarHBondContact N-O 2.76Å; E185-R213 PolarHBondContact O-N 3.03Å
214R93Very high93.3Very high7 Ų743.2 Ų43.23%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-72.9139.7176.1-167.1178.7-57.1-79.6-1.4111.9E48 Y141 P142 D144 F184 F216 F219E48-R214 IonicContact OE1-CZ 3.2Å; E48-R214 IonicContact OE1-NH1 2.65Å; E48-R214 PolarHBondContact OE1-NH1 3.49Å; E48-R214 IonicContact OE1-NH2 3.11Å; Y141-R214 VanDerWaalsContact CE2-CZ 3.45Å; P142-R214 WeakPolarHBondContact O-CD 3.45Å; D144-R214 PolarHBondContact O-N 3.33Å; D144-R214 WeakPolarHBondContact OD1-CD 3.21Å; D144-R214 IonicContact OD1-CZ 3.21Å; D144-R214 IonicContact OD1-NE 2.68Å; D144-R214 PolarHBondContact OD1-NE 3.06Å; D144-R214 IonicContact OD1-NH2 2.75Å; D144-R214 IonicContact OD2-CZ 2.8Å; D144-R214 IonicContact OD2-NE 2.74Å; D144-R214 PolarHBondContact OD2-NE 3.22Å; D144-R214 IonicContact OD2-NH2 3.48Å; D144-R214 PolarHBondContact OD2-NH2 2.72Å; F184-R214 HydrophobicContact CD1-CB 4.28Å; F184-R214 HydrophobicContact CE1-CB 4.15Å; F184-R214 VanDerWaalsContact CZ-CZ 3.46Å; F184-R214 VanDerWaalsContact CZ-NH1 3.32Å; R214-F216 PolarHBondContact O-N 3.47Å; R214-F219 HydrophobicContact CG-CE2 3.99Å
215L91.8Very high93.3Very high67 Ų6745.8 Ų45.835%0.35122%0.223SC..  trans-77.8105.3173.5-66.9177.5000110.5N183 E185N183-L215 PolarHBondContact O-N 3.05Å; E185-L215 HydrophobicContact CB-CD2 4.23Å
216F90.4Very high93.3Very high36 Ų3647.6 Ų47.616%0.15824%0.235CC..  trans-73.9-26.2-171.9178.7-102.4000115P142 M143 R214 F218 F219 M220 Y224 W443 W447P142-F216 HydrophobicContact CG-CD2 4.17Å; P142-F216 HydrophobicContact CG-CE2 4.15Å; M143-F216 HydrophobicContact CG-CD2 3.58Å; M143-F216 HydrophobicContact CG-CE2 3.66Å; M143-F216 HydrophobicContact CG-CG 4.48Å; M143-F216 HydrophobicContact SD-CD2 4.47Å; M143-F216 HydrophobicContact SD-CE2 4.02Å; R214-F216 PolarHBondContact O-N 3.47Å; F216-F218 VanDerWaalsContact C-N 3.32Å; F216-F218 PolarHBondContact O-N 2.89Å; F216-F219 PolarHBondContact O-N 3.27Å; F216-M220 HydrophobicContact CD1-CB 4.27Å; F216-M220 HydrophobicContact CE1-CB 3.74Å; F216-M220 HydrophobicContact CE1-CG 4.07Å; F216-M220 HydrophobicContact CE1-SD 3.75Å; F216-M220 HydrophobicContact CZ-CB 4.19Å; F216-M220 HydrophobicContact CZ-SD 3.82Å; F216-M220 PolarHBondContact O-N 2.95Å; F216-Y224 HydrophobicContact CE2-CD2 4.19Å; F216-Y224 AromaticContact CE2-CE2 3.68Å; F216-Y224 HydrophobicContact CE2-CE2 3.68Å; F216-Y224 HydrophobicContact CZ-CD2 4.05Å; F216-Y224 AromaticContact CZ-CE2 3.95Å; F216-Y224 HydrophobicContact CZ-CE2 3.95Å; F216-W443 HydrophobicContact CE1-CZ3 4.45Å; F216-W443 HydrophobicContact CE2-CZ3 4.35Å; F216-W443 AromaticContact CZ-CH2 3.74Å; F216-W443 HydrophobicContact CZ-CH2 3.74Å; F216-W443 AromaticContact CZ-CZ3 3.68Å; F216-W443 HydrophobicContact CZ-CZ3 3.68Å; F216-W447 HydrophobicContact CD1-CH2 4.1Å; F216-W447 AromaticContact CD1-CZ3 3.73Å; F216-W447 HydrophobicContact CD1-CZ3 3.73Å; F216-W447 HydrophobicContact CE1-CH2 4.39Å; F216-W447 AromaticContact CE1-CZ3 3.74Å; F216-W447 HydrophobicContact CE1-CZ3 3.74Å; F216-W447 HydrophobicContact CG-CZ3 4.18Å; F216-W447 HydrophobicContact CZ-CZ3 4.21Å
217S88.8Confident93.2Very high83 Ų8347.5 Ų47.558%0.5823%0.234SC*.Hα-helixtrans-56.7-39.6-171.151.60000114.3M220 L221S217-M220 PolarHBondContact O-N 3.23Å; S217-L221 PolarHBondContact O-N 3.44Å
218F89.3Confident93.1Very high95 Ų9545.3 Ų45.342%0.41723%0.231SC..Hα-helixtrans-58.5-49.1174.8173.6-92.1000111.8F216 M220 L221 Q222F216-F218 VanDerWaalsContact C-N 3.32Å; F216-F218 PolarHBondContact O-N 2.89Å; F218-M220 VanDerWaalsContact C-N 3.34Å; F218-M220 PolarHBondContact O-N 3.25Å; F218-L221 PolarHBondContact O-N 3.42Å; F218-Q222 HydrophobicContact CD2-CG 4.49Å; F218-Q222 HydrophobicContact CE2-CG 4.26Å; F218-Q222 HydrophobicContact CZ-CG 4.33Å; F218-Q222 WeakPolarHBondContact O-CB 3.33Å; F218-Q222 PolarHBondContact O-N 3.16Å
219F91.6Very high93Very high13 Ų1350.4 Ų50.46%0.05726%0.258CS..Hα-helixtrans-67.8-34.9-179-62.2-79.3000112Y141 P142 R214 F216 L221 V223 Y224Y141-F219 HydrophobicContact CE1-CE1 4.36Å; Y141-F219 AromaticContact CZ-CE1 3.84Å; Y141-F219 WeakPolarHBondContact OH-CE1 3.48Å; Y141-F219 WeakPolarHBondContact OH-CZ 3.36Å; P142-F219 HydrophobicContact CB-CB 4.11Å; P142-F219 HydrophobicContact CB-CD1 3.96Å; P142-F219 HydrophobicContact CB-CD2 3.67Å; P142-F219 HydrophobicContact CB-CE1 4.35Å; P142-F219 HydrophobicContact CB-CE2 4.09Å; P142-F219 HydrophobicContact CB-CG 3.6Å; P142-F219 HydrophobicContact CB-CZ 4.41Å; P142-F219 HydrophobicContact CG-CB 3.67Å; P142-F219 HydrophobicContact CG-CD1 4.17Å; P142-F219 HydrophobicContact CG-CD2 4.2Å; P142-F219 HydrophobicContact CG-CG 3.73Å; R214-F219 HydrophobicContact CG-CE2 3.99Å; F216-F219 PolarHBondContact O-N 3.27Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.88Å; F219-V223 HydrophobicContact CD1-CG2 4.36Å; F219-V223 WeakPolarHBondContact O-CA 3.31Å; F219-V223 VanDerWaalsContact O-CB 3.26Å; F219-V223 WeakPolarHBondContact O-CB 3.49Å; F219-V223 PolarHBondContact O-N 3.36Å; F219-Y224 PolarHBondContact O-N 3.3Å
220M91.7Very high93Very high70 Ų7050.2 Ų50.235%0.34526%0.258SS..Iπ-helixtrans-57.3-48.3174.5-167.762.8-167.700111.6F216 S217 F218 Y224 V225 W443F216-M220 HydrophobicContact CD1-CB 4.27Å; F216-M220 HydrophobicContact CE1-CB 3.74Å; F216-M220 HydrophobicContact CE1-CG 4.07Å; F216-M220 HydrophobicContact CE1-SD 3.75Å; F216-M220 HydrophobicContact CZ-CB 4.19Å; F216-M220 HydrophobicContact CZ-SD 3.82Å; F216-M220 PolarHBondContact O-N 2.95Å; S217-M220 PolarHBondContact O-N 3.23Å; F218-M220 VanDerWaalsContact C-N 3.34Å; F218-M220 PolarHBondContact O-N 3.25Å; M220-Y224 PolarHBondContact O-N 2.91Å; M220-Y224 HydrophobicContact SD-CD2 4.31Å; M220-Y224 HydrophobicContact SD-CG 4.15Å; M220-V225 HydrophobicContact CE-CG2 4.47Å; M220-V225 WeakPolarHBondContact O-CG2 3.23Å; M220-V225 PolarHBondContact O-N 3.47Å; M220-W443 HydrophobicContact CE-CZ2 4.48Å; M220-W443 HydrophobicContact SD-CH2 4.02Å; M220-W443 HydrophobicContact SD-CZ2 4.38Å
221L92.7Very high93Very high125 Ų12550.3 Ų50.365%0.65426%0.258SS*.Iπ-helixtrans-77.9-34.3-176.8-66.8175.2000113.9S217 F218 F219 P226S217-L221 PolarHBondContact O-N 3.44Å; F218-L221 PolarHBondContact O-N 3.42Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.88Å; L221-P226 VanDerWaalsContact O-CD 3.3Å; L221-P226 WeakPolarHBondContact O-CD 3.46Å
222Q91.9Very high92.9Very high109 Ų10950.5 Ų50.551%0.50927%0.266SS..Iπ-helixtrans-92.5-22-177-65.3-156.10.700114.7F218 H262F218-Q222 HydrophobicContact CD2-CG 4.49Å; F218-Q222 HydrophobicContact CE2-CG 4.26Å; F218-Q222 HydrophobicContact CZ-CG 4.33Å; F218-Q222 WeakPolarHBondContact O-CB 3.33Å; F218-Q222 PolarHBondContact O-N 3.16Å; Q222-H262 PolarHBondContact O-CE1 3.07Å; Q222-H262 VanDerWaalsContact O-CE1 3.25Å
223V93Very high93Very high5 Ų553.3 Ų53.33%0.0328%0.284CS..Iπ-helixtrans-118.9-60.7-174-178.30000111.5F219 S227 I266 L279F219-V223 HydrophobicContact CD1-CG2 4.36Å; F219-V223 WeakPolarHBondContact O-CA 3.31Å; F219-V223 VanDerWaalsContact O-CB 3.26Å; F219-V223 WeakPolarHBondContact O-CB 3.49Å; F219-V223 PolarHBondContact O-N 3.36Å; V223-S227 WeakPolarHBondContact O-CB 3.37Å; V223-S227 PolarHBondContact O-N 2.79Å; V223-S227 VanDerWaalsContact O-N 3.12Å; V223-S227 PolarHBondContact O-OG 3Å; V223-I266 HydrophobicContact CB-CD1 4.13Å; V223-I266 HydrophobicContact CG1-CD1 3.53Å; V223-I266 HydrophobicContact CG2-CD1 3.64Å; V223-I266 HydrophobicContact CG2-CG1 4.04Å; V223-L279 HydrophobicContact CG1-CD1 3.54Å
224Y94.2Very high92.9Very high0 Ų047.4 Ų47.40%026%0.262CS..Iπ-helixtrans-69.5-42.2-172.6-69.9-85.6000112.9P142 F216 F219 M220 S227 S228 W282 Y442 W443P142-Y224 WeakPolarHBondContact CD-OH 3.32Å; P142-Y224 HydrophobicContact CG-CE2 4.05Å; F216-Y224 HydrophobicContact CE2-CD2 4.19Å; F216-Y224 AromaticContact CE2-CE2 3.68Å; F216-Y224 HydrophobicContact CE2-CE2 3.68Å; F216-Y224 HydrophobicContact CZ-CD2 4.05Å; F216-Y224 AromaticContact CZ-CE2 3.95Å; F216-Y224 HydrophobicContact CZ-CE2 3.95Å; F219-Y224 PolarHBondContact O-N 3.3Å; M220-Y224 PolarHBondContact O-N 2.91Å; M220-Y224 HydrophobicContact SD-CD2 4.31Å; M220-Y224 HydrophobicContact SD-CG 4.15Å; Y224-S227 PolarHBondContact O-OG 2.79Å; Y224-S228 VanDerWaalsContact O-CB 3.28Å; Y224-S228 WeakPolarHBondContact O-CB 3.37Å; Y224-S228 PolarHBondContact O-N 3.18Å; Y224-S228 PolarHBondContact O-OG 3.24Å; Y224-W282 AromaticContact CD1-CD2 3.64Å; Y224-W282 HydrophobicContact CD1-CD2 3.64Å; Y224-W282 AromaticContact CD1-CE2 3.51Å; Y224-W282 HydrophobicContact CD1-CE3 4.13Å; Y224-W282 AromaticContact CD1-CG 3.99Å; Y224-W282 HydrophobicContact CD1-CG 3.99Å; Y224-W282 HydrophobicContact CD1-CH2 4.34Å; Y224-W282 AromaticContact CD1-CZ2 3.9Å; Y224-W282 HydrophobicContact CD1-CZ2 3.9Å; Y224-W282 HydrophobicContact CD1-CZ3 4.45Å; Y224-W282 AromaticContact CD1-NE1 3.74Å; Y224-W282 HydrophobicContact CE1-CB 4.19Å; Y224-W282 AromaticContact CE1-CD2 3.66Å; Y224-W282 HydrophobicContact CE1-CD2 3.66Å; Y224-W282 HydrophobicContact CE1-CE3 4.08Å; Y224-W282 AromaticContact CE1-CG 3.68Å; Y224-W282 HydrophobicContact CE1-CG 3.68Å; Y224-Y442 AromaticContact CE1-CE1 3.77Å; Y224-Y442 HydrophobicContact CE1-CE1 3.77Å; Y224-Y442 PolarHBondContact OH-OH 2.95Å; Y224-W443 AromaticContact CD1-CH2 3.47Å; Y224-W443 HydrophobicContact CD1-CH2 3.47Å; Y224-W443 VanDerWaalsContact CD1-CH2 3.47Å; Y224-W443 AromaticContact CD1-CZ2 3.57Å; Y224-W443 HydrophobicContact CD1-CZ2 3.57Å; Y224-W443 HydrophobicContact CD2-CH2 4.22Å; Y224-W443 AromaticContact CE1-CH2 3.57Å; Y224-W443 HydrophobicContact CE1-CH2 3.57Å; Y224-W443 AromaticContact CE1-CZ2 3.95Å; Y224-W443 HydrophobicContact CE1-CZ2 3.95Å; Y224-W443 HydrophobicContact CE1-CZ3 4.42Å; Y224-W443 HydrophobicContact CE2-CH2 4.31Å; Y224-W443 AromaticContact CG-CH2 3.82Å; Y224-W443 HydrophobicContact CG-CH2 3.82Å; Y224-W443 HydrophobicContact CG-CZ2 4.12Å; Y224-W443 AromaticContact CZ-CH2 4Å
225V94.5Very high92.9Very high61 Ų6151.3 Ų51.337%0.3728%0.276SS..Hα-helixtrans-66.1-51.6177.81690000112.1M220 S227 S228 L229M220-V225 HydrophobicContact CE-CG2 4.47Å; M220-V225 WeakPolarHBondContact O-CG2 3.23Å; M220-V225 PolarHBondContact O-N 3.47Å; V225-S227 PolarHBondContact O-N 3.13Å; V225-S228 PolarHBondContact O-N 3.28Å; V225-L229 HydrophobicContact CG1-CD1 4.02Å; V225-L229 WeakPolarHBondContact O-CG 3.36Å; V225-L229 PolarHBondContact O-N 3.12Å
226P95.2Very high92.8Very high44 Ų4451.8 Ų51.829%0.28628%0.282SS..Hα-helixtrans-62.3-42.1178.9-27.138.3000113.6L221 L229 L230L221-P226 VanDerWaalsContact O-CD 3.3Å; L221-P226 WeakPolarHBondContact O-CD 3.46Å; P226-L229 PolarHBondContact O-N 2.88Å; P226-L230 WeakPolarHBondContact O-CG 3.5Å; P226-L230 PolarHBondContact O-N 2.68Å
227S95.3Very high92.7Very high0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-64.7-39.4176.355.20000112.6V223 Y224 V225 L229 L230 V231 M259 W282V223-S227 WeakPolarHBondContact O-CB 3.37Å; V223-S227 PolarHBondContact O-N 2.79Å; V223-S227 VanDerWaalsContact O-N 3.12Å; V223-S227 PolarHBondContact O-OG 3Å; Y224-S227 PolarHBondContact O-OG 2.79Å; V225-S227 PolarHBondContact O-N 3.13Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-L229 PolarHBondContact O-N 3.43Å; S227-L230 PolarHBondContact O-N 2.65Å; S227-V231 PolarHBondContact O-N 3.22Å; S227-M259 WeakPolarHBondContact O-CE 3.32Å; S227-W282 PolarHBondContact OG-NE1 2.94Å
228S94.3Very high92.8Very high34 Ų3446.3 Ų46.324%0.23825%0.248CC..Hα-helixtrans-61.7-40.3172.6-59.60000112.4Y224 V225 V231 A232 W282Y224-S228 VanDerWaalsContact O-CB 3.28Å; Y224-S228 WeakPolarHBondContact O-CB 3.37Å; Y224-S228 PolarHBondContact O-N 3.18Å; Y224-S228 PolarHBondContact O-OG 3.24Å; V225-S228 PolarHBondContact O-N 3.28Å; S228-V231 PolarHBondContact O-N 3.19Å; S228-A232 PolarHBondContact O-N 2.93Å; S228-W282 WeakPolarHBondContact OG-CZ2 3.45Å
229L94.6Very high92.8Very high108 Ų10849.5 Ų49.557%0.56526%0.257SS*.Hα-helixtrans-66.4-37.1177.1-70.3171.6000112.1V225 P226 S227 V231 A232 V233V225-L229 HydrophobicContact CG1-CD1 4.02Å; V225-L229 WeakPolarHBondContact O-CG 3.36Å; V225-L229 PolarHBondContact O-N 3.12Å; P226-L229 PolarHBondContact O-N 2.88Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-L229 PolarHBondContact O-N 3.43Å; L229-V231 VanDerWaalsContact C-N 3.35Å; L229-V231 PolarHBondContact O-N 3.49Å; L229-A232 CarbonylContact O-C 3.42Å; L229-A232 WeakPolarHBondContact O-CB 3.03Å; L229-A232 PolarHBondContact O-N 2.82Å; L229-A232 VanDerWaalsContact O-N 3.16Å; L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 3.38Å
230L95.3Very high92.7Very high30 Ų3051 Ų5116%0.15727%0.265CS..Hα-helixtrans-62.6-40174.1-70.9170.9000112.3P226 S227 A232 V233 S234 T258 M259P226-L230 WeakPolarHBondContact O-CG 3.5Å; P226-L230 PolarHBondContact O-N 2.68Å; S227-L230 PolarHBondContact O-N 2.65Å; L230-A232 VanDerWaalsContact C-N 3.34Å; L230-V233 PolarHBondContact O-N 3.02Å; L230-S234 PolarHBondContact O-N 3.16Å; L230-S234 VanDerWaalsContact O-N 3.08Å; L230-T258 HydrophobicContact CD1-CG2 3.93Å; L230-T258 HydrophobicContact CD2-CG2 3.79Å; L230-M259 HydrophobicContact CB-CE 3.8Å; L230-M259 HydrophobicContact CD1-CB 4.42Å; L230-M259 HydrophobicContact CD1-CE 3.99Å
231V95.3Very high92.5Very high2 Ų251.7 Ų51.71%0.01227%0.27CS..Hα-helixtrans-67.8-34.3173.2179.60000111.4S227 S228 L229 S234 W235 M259 C286 F289 I290 F431 F435S227-V231 PolarHBondContact O-N 3.22Å; S228-V231 PolarHBondContact O-N 3.19Å; L229-V231 VanDerWaalsContact C-N 3.35Å; L229-V231 PolarHBondContact O-N 3.49Å; V231-S234 PolarHBondContact O-N 3.48Å; V231-S234 PolarHBondContact O-OG 2.79Å; V231-W235 PolarHBondContact O-N 2.73Å; V231-W235 VanDerWaalsContact O-N 3.11Å; V231-M259 HydrophobicContact CG2-CE 4.15Å; V231-C286 HydrophobicContact CG2-CB 3.71Å; V231-F289 HydrophobicContact CG1-CB 4.06Å; V231-I290 HydrophobicContact CG2-CD1 4.29Å; V231-I290 HydrophobicContact CG2-CG1 4.25Å; V231-F431 HydrophobicContact CG1-CE1 3.85Å; V231-F431 HydrophobicContact CG1-CZ 3.82Å; V231-F435 HydrophobicContact CB-CE2 4.2Å; V231-F435 HydrophobicContact CB-CZ 4.2Å; V231-F435 HydrophobicContact CG1-CD1 4.38Å; V231-F435 HydrophobicContact CG1-CD2 3.78Å; V231-F435 HydrophobicContact CG1-CE1 4.38Å; V231-F435 HydrophobicContact CG1-CE2 3.79Å; V231-F435 HydrophobicContact CG1-CG 4.09Å; V231-F435 HydrophobicContact CG1-CZ 4.09Å; V231-F435 HydrophobicContact CG2-CE2 4.21Å; V231-F435 HydrophobicContact CG2-CZ 4.49Å
232A93.3Very high92.1Very high42 Ų4246.1 Ų46.135%0.34724%0.241SC..Hα-helixtrans-66.6-36.1172.300000112.4S228 L229 L230 W235 V236S228-A232 PolarHBondContact O-N 2.93Å; L229-A232 CarbonylContact O-C 3.42Å; L229-A232 WeakPolarHBondContact O-CB 3.03Å; L229-A232 PolarHBondContact O-N 2.82Å; L229-A232 VanDerWaalsContact O-N 3.16Å; L230-A232 VanDerWaalsContact C-N 3.34Å; A232-W235 WeakPolarHBondContact O-CB 3.32Å; A232-W235 PolarHBondContact O-N 3.2Å; A232-V236 PolarHBondContact O-N 3.37Å
233V92.9Very high91.9Very high63 Ų6348.5 Ų48.538%0.38225%0.245SC..Hα-helixtrans-65.8-39.3173.3175.30000111.2L229 L230 W235 V236 T255L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 3.38Å; L230-V233 PolarHBondContact O-N 3.02Å; V233-W235 VanDerWaalsContact C-N 3.28Å; V233-W235 PolarHBondContact O-N 3.31Å; V233-V236 WeakPolarHBondContact O-CB 3.44Å; V233-V236 PolarHBondContact O-N 2.98Å; V233-V236 VanDerWaalsContact O-N 3.12Å; V233-T255 HydrophobicContact CB-CG2 3.91Å; V233-T255 HydrophobicContact CG1-CG2 3.55Å
234S92.7Very high91.7Very high1 Ų150.2 Ų50.21%0.00726%0.26CS..Hα-helixtrans-66.1-30.9175.580.30000112.3L230 V231 V236 S237 S293L230-S234 PolarHBondContact O-N 3.16Å; L230-S234 VanDerWaalsContact O-N 3.08Å; V231-S234 PolarHBondContact O-N 3.48Å; V231-S234 PolarHBondContact O-OG 2.79Å; S234-V236 VanDerWaalsContact C-N 3.32Å; S234-V236 PolarHBondContact O-N 3.32Å; S234-S237 VanDerWaalsContact O-CB 3.31Å; S234-S237 WeakPolarHBondContact O-CB 3.47Å; S234-S237 PolarHBondContact O-N 2.85Å; S234-S237 PolarHBondContact O-OG 3.45Å; S234-S293 WeakPolarHBondContact CB-OG 3.49Å
235W91.8Very high91.3Very high90 Ų9052.2 Ų52.234%0.34128%0.276SS..Hα-helixtrans-65.6-27.8171.4-17843000113.9V231 A232 V233 S237 Y238 R428 F431 P432V231-W235 PolarHBondContact O-N 2.73Å; V231-W235 VanDerWaalsContact O-N 3.11Å; A232-W235 WeakPolarHBondContact O-CB 3.32Å; A232-W235 PolarHBondContact O-N 3.2Å; V233-W235 VanDerWaalsContact C-N 3.28Å; V233-W235 PolarHBondContact O-N 3.31Å; W235-S237 PolarHBondContact O-N 2.87Å; W235-Y238 AromaticContact CD1-CD2 3.7Å; W235-Y238 AromaticContact CD1-CE2 3.99Å; W235-Y238 VanDerWaalsContact O-CD2 3.28Å; W235-Y238 WeakPolarHBondContact O-CD2 3.43Å; W235-R428 PolarHBondContact NE1-O 3.18Å; W235-F431 HydrophobicContact CB-CD1 3.73Å; W235-F431 HydrophobicContact CB-CE1 3.68Å; W235-F431 AromaticContact CD1-CD1 3.66Å; W235-F431 AromaticContact CG-CD1 3.81Å; W235-F431 HydrophobicContact CG-CD1 3.81Å; W235-F431 HydrophobicContact CG-CE1 4.26Å; W235-P432 HydrophobicContact CD2-CB 4.49Å; W235-P432 HydrophobicContact CH2-CB 4.31Å; W235-P432 HydrophobicContact CH2-CG 4.45Å; W235-P432 HydrophobicContact CZ2-CB 3.95Å; W235-P432 HydrophobicContact CZ2-CG 3.67Å
236V90.3Very high91Very high76 Ų7653.6 Ų53.646%0.46129%0.294SS..Hα-helixtrans-64.9-25.1175.3177.30000111.8A232 V233 S234 Y238 W239A232-V236 PolarHBondContact O-N 3.37Å; V233-V236 WeakPolarHBondContact O-CB 3.44Å; V233-V236 PolarHBondContact O-N 2.98Å; V233-V236 VanDerWaalsContact O-N 3.12Å; S234-V236 VanDerWaalsContact C-N 3.32Å; S234-V236 PolarHBondContact O-N 3.32Å; V236-Y238 PolarHBondContact O-N 3.07Å; V236-W239 WeakPolarHBondContact O-CB 3.37Å; V236-W239 PolarHBondContact O-N 3.12Å
237S88.9Confident90.7Very high2 Ų252.8 Ų52.81%0.01429%0.293CS..G310 helixtrans-55.6-36-17969.10000113.7S234 W235 W239 I240 R248S234-S237 VanDerWaalsContact O-CB 3.31Å; S234-S237 WeakPolarHBondContact O-CB 3.47Å; S234-S237 PolarHBondContact O-N 2.85Å; S234-S237 PolarHBondContact O-OG 3.45Å; W235-S237 PolarHBondContact O-N 2.87Å; S237-W239 PolarHBondContact O-N 3Å; S237-I240 PolarHBondContact O-N 2.85Å; S237-R248 PolarHBondContact O-NE 2.86Å
238Y90.1Very high90.4Very high3 Ų352.8 Ų52.81%0.01229%0.294CS..G310 helixtrans-70.2-13.8179.2-48.1-61.1000114W235 V236 S293 E296 S427 R428 F431W235-Y238 AromaticContact CD1-CD2 3.7Å; W235-Y238 AromaticContact CD1-CE2 3.99Å; W235-Y238 VanDerWaalsContact O-CD2 3.28Å; W235-Y238 WeakPolarHBondContact O-CD2 3.43Å; V236-Y238 PolarHBondContact O-N 3.07Å; Y238-S293 WeakPolarHBondContact OH-CA 3.28Å; Y238-S293 VanDerWaalsContact OH-CB 3.23Å; Y238-S293 WeakPolarHBondContact OH-CB 3.49Å; Y238-E296 WeakPolarHBondContact CD1-OE1 3.33Å; Y238-E296 WeakPolarHBondContact CD1-OE2 3.05Å; Y238-E296 HydrophobicContact CE1-CB 4.06Å; Y238-E296 HydrophobicContact CE1-CG 3.92Å; Y238-E296 WeakPolarHBondContact CE1-OE2 3.4Å; Y238-S427 VanDerWaalsContact CD1-OG 3.28Å; Y238-S427 WeakPolarHBondContact CD1-OG 3.04Å; Y238-R428 VanDerWaalsContact O-CZ 3.22Å; Y238-R428 PolarHBondContact O-NE 3.14Å; Y238-R428 PolarHBondContact O-NH2 3.07Å; Y238-F431 HydrophobicContact CE2-CB 3.77Å; Y238-F431 HydrophobicContact CE2-CD1 4.32Å; Y238-F431 AromaticContact CE2-CD2 3.74Å; Y238-F431 HydrophobicContact CE2-CD2 3.74Å; Y238-F431 HydrophobicContact CE2-CE2 4.37Å; Y238-F431 AromaticContact CE2-CG 3.69Å; Y238-F431 HydrophobicContact CE2-CG 3.69Å; Y238-F431 AromaticContact CZ-CD2 3.9Å; Y238-F431 WeakPolarHBondContact OH-CD2 3.32Å
239W89.3Confident90.3Very high162 Ų16253.4 Ų53.461%0.61430%0.296SS*.G310 helixtrans-87.4-21.1177.8-71.687.5000113.3V236 S237V236-W239 WeakPolarHBondContact O-CB 3.37Å; V236-W239 PolarHBondContact O-N 3.12Å; S237-W239 PolarHBondContact O-N 3Å
240I89.3Confident90.2Very high45 Ų4550.9 Ų50.923%0.23129%0.286CS..SBendtrans-73.5149.9174.7-62.5165.1000108.9S237 A244 R248 L251S237-I240 PolarHBondContact O-N 2.85Å; I240-A244 HydrophobicContact CG2-CB 3.87Å; I240-R248 HydrophobicContact CB-CG 4Å; I240-R248 HydrophobicContact CG2-CG 3.88Å; I240-R248 VanDerWaalsContact O-CZ 3.31Å; I240-R248 PolarHBondContact O-NE 3.28Å; I240-R248 VanDerWaalsContact O-NE 3.15Å; I240-R248 PolarHBondContact O-NH2 2.82Å; I240-L251 HydrophobicContact CD1-CD1 3.43Å; I240-L251 VanDerWaalsContact CD1-CD1 3.43Å
241D87.4Confident90.1Very high84 Ų8452.5 Ų52.545%0.44929%0.294SS..  trans-65.5139.5173.6-169.5-24.5000110.5R243 A244D241-R243 PolarHBondContact O-N 3.27Å; D241-R243 WeakPolarHBondContact OD1-CG 3.49Å; D241-R243 PolarHBondContact OD1-N 2.81Å; D241-A244 WeakPolarHBondContact O-CB 3.31Å; D241-A244 PolarHBondContact O-N 2.83Å
242W85.2Confident89.9Confident7 Ų752.5 Ų52.53%0.02729%0.294CS..THydrogen-bonded Turntrans-63.1-2417861.7-95.5000112.8A244 V300 G304 Q308 A420 D421W242-A244 PolarHBondContact O-N 2.77Å; W242-V300 HydrophobicContact CB-CG1 3.51Å; W242-V300 HydrophobicContact CG-CG1 4.1Å; W242-G304 VanDerWaalsContact CH2-CA 3.44Å; W242-Q308 HydrophobicContact CH2-CG 4.19Å; W242-Q308 VanDerWaalsContact CZ3-NE2 3.32Å; W242-A420 HydrophobicContact CD2-CB 4.27Å; W242-A420 HydrophobicContact CG-CB 4.33Å; W242-A420 HydrophobicContact CZ2-CB 4.34Å; W242-D421 VanDerWaalsContact CD1-OD1 3.28Å; W242-D421 PolarHBondContact NE1-OD1 3.37Å
243R86.2Confident89.9Confident159 Ų15954.6 Ų54.660%0.630%0.299SS*.THydrogen-bonded Turntrans-64.3-26.1173.5-61.8171.2-175.2-85.3-5.3112.4D241 A245D241-R243 PolarHBondContact O-N 3.27Å; D241-R243 WeakPolarHBondContact OD1-CG 3.49Å; D241-R243 PolarHBondContact OD1-N 2.81Å; R243-A245 VanDerWaalsContact C-N 3.26Å; R243-A245 PolarHBondContact O-N 2.74Å
244A88.6Confident90Very high42 Ų4256.5 Ų56.535%0.34731%0.306SS..  trans-85.762.1179.800000111.7I240 D241 W242 A246 G247 R248I240-A244 HydrophobicContact CG2-CB 3.87Å; D241-A244 WeakPolarHBondContact O-CB 3.31Å; D241-A244 PolarHBondContact O-N 2.83Å; W242-A244 PolarHBondContact O-N 2.77Å; A244-A246 PolarHBondContact O-N 2.74Å; A244-G247 PolarHBondContact O-N 2.78Å; A244-R248 PolarHBondContact O-N 3.01Å
245A86.3Confident90.1Very high41 Ų4156.8 Ų56.834%0.33931%0.307SS..Hα-helixtrans-52.3-40.817900000112.9R243 G247 R248 V249 Y297R243-A245 VanDerWaalsContact C-N 3.26Å; R243-A245 PolarHBondContact O-N 2.74Å; A245-G247 PolarHBondContact O-N 2.86Å; A245-R248 PolarHBondContact O-N 3.25Å; A245-V249 WeakPolarHBondContact O-CB 3.08Å; A245-V249 WeakPolarHBondContact O-CG2 3.41Å; A245-V249 PolarHBondContact O-N 2.86Å; A245-Y297 WeakPolarHBondContact CA-OH 3.46Å; A245-Y297 WeakPolarHBondContact CB-OH 3.22Å
246A88.8Confident90.2Very high91 Ų9154 Ų5475%0.75230%0.299SS*.Hα-helixtrans-63.3-20.3176.700000114A244 P250A244-A246 PolarHBondContact O-N 2.74Å; A246-P250 WeakPolarHBondContact O-CD 3.26Å; A246-P250 VanDerWaalsContact O-CG 3.28Å; A246-P250 WeakPolarHBondContact O-CG 3.49Å
247G87.7Confident90.5Very high26 Ų2655.4 Ų55.427%0.26830%0.304SS..Hα-helixtrans-86.6-51.9171.800000112.4A244 A245 L251A244-G247 PolarHBondContact O-N 2.78Å; A245-G247 PolarHBondContact O-N 2.86Å; G247-L251 WeakPolarHBondContact O-CD1 3.34Å; G247-L251 VanDerWaalsContact O-CG 3.26Å; G247-L251 WeakPolarHBondContact O-CG 3.35Å
248R90.4Very high90.9Very high1 Ų158.1 Ų58.10%0.00432%0.32CS..Hα-helixtrans-70.8-41.1-172.2-69.5-169.9177.9-164.513.8114.2S237 I240 A244 A245 S252 Y297 D424S237-R248 PolarHBondContact O-NE 2.86Å; I240-R248 HydrophobicContact CB-CG 4Å; I240-R248 HydrophobicContact CG2-CG 3.88Å; I240-R248 VanDerWaalsContact O-CZ 3.31Å; I240-R248 PolarHBondContact O-NE 3.28Å; I240-R248 VanDerWaalsContact O-NE 3.15Å; I240-R248 PolarHBondContact O-NH2 2.82Å; A244-R248 PolarHBondContact O-N 3.01Å; A245-R248 PolarHBondContact O-N 3.25Å; R248-S252 PolarHBondContact O-N 3.17Å; R248-S252 PolarHBondContact O-OG 3.27Å; R248-Y297 HydrophobicContact CB-CD2 3.71Å; R248-Y297 HydrophobicContact CB-CE2 3.8Å; R248-Y297 HydrophobicContact CB-CG 4.3Å; R248-Y297 HydrophobicContact CG-CD2 4.21Å; R248-Y297 HydrophobicContact CG-CE2 4.36Å; R248-D424 IonicContact CZ-OD1 3.26Å; R248-D424 VanDerWaalsContact CZ-OD1 3.26Å; R248-D424 IonicContact CZ-OD2 3.68Å; R248-D424 IonicContact NH1-OD1 2.72Å; R248-D424 PolarHBondContact NH1-OD1 2.94Å; R248-D424 IonicContact NH1-OD2 2.74Å; R248-D424 IonicContact NH2-OD1 2.96Å; R248-D424 PolarHBondContact NH2-OD1 3.27Å; R248-D424 IonicContact NH2-OD2 2.77Å; R248-D424 PolarHBondContact NH2-OD2 3.49Å
249V91.2Very high91.1Very high46 Ų4658 Ų5828%0.27932%0.32SS..Hα-helixtrans-65.5-52.6-175.7175.60000111.8A245 L251 S252 I253 Y297A245-V249 WeakPolarHBondContact O-CB 3.08Å; A245-V249 WeakPolarHBondContact O-CG2 3.41Å; A245-V249 PolarHBondContact O-N 2.86Å; V249-L251 PolarHBondContact O-N 3Å; V249-S252 PolarHBondContact O-N 3.22Å; V249-I253 HydrophobicContact CG1-CD1 3.58Å; V249-I253 HydrophobicContact CG1-CG1 4.36Å; V249-I253 WeakPolarHBondContact O-CG1 3.14Å; V249-I253 PolarHBondContact O-N 2.87Å; V249-Y297 HydrophobicContact CG2-CD1 3.86Å; V249-Y297 HydrophobicContact CG2-CE1 3.13Å
250P93.4Very high91.4Very high56 Ų5653.5 Ų53.536%0.36431%0.307SS..Hα-helixtrans-64.8-39.1-178-23.437.4000112.4A246 S252 I253 I254A246-P250 WeakPolarHBondContact O-CD 3.26Å; A246-P250 VanDerWaalsContact O-CG 3.28Å; A246-P250 WeakPolarHBondContact O-CG 3.49Å; P250-S252 VanDerWaalsContact C-N 3.31Å; P250-S252 PolarHBondContact O-N 2.95Å; P250-I253 PolarHBondContact O-N 3.12Å; P250-I254 HydrophobicContact CB-CD1 4.12Å; P250-I254 WeakPolarHBondContact O-CB 3.25Å; P250-I254 WeakPolarHBondContact O-CD1 3.17Å; P250-I254 WeakPolarHBondContact O-CG1 3.29Å; P250-I254 PolarHBondContact O-N 3.37Å
251L92.4Very high91.7Very high64 Ų6455.3 Ų55.334%0.33532%0.32SS..Hα-helixtrans-56.9-44.8176-73.5173.2000112.1I240 G247 V249 T255I240-L251 HydrophobicContact CD1-CD1 3.43Å; I240-L251 VanDerWaalsContact CD1-CD1 3.43Å; G247-L251 WeakPolarHBondContact O-CD1 3.34Å; G247-L251 VanDerWaalsContact O-CG 3.26Å; G247-L251 WeakPolarHBondContact O-CG 3.35Å; V249-L251 PolarHBondContact O-N 3Å; L251-T255 WeakPolarHBondContact O-CB 3.47Å; L251-T255 VanDerWaalsContact O-CG2 3.31Å; L251-T255 WeakPolarHBondContact O-CG2 3.37Å; L251-T255 PolarHBondContact O-N 3.12Å; L251-T255 PolarHBondContact O-OG1 3.26Å
252S90.7Very high92Very high1 Ų153.3 Ų53.31%0.00731%0.308CS..Hα-helixtrans-70.5-39.5-178.5-52.40000112.3R248 V249 P250 T255 L256R248-S252 PolarHBondContact O-N 3.17Å; R248-S252 PolarHBondContact O-OG 3.27Å; V249-S252 PolarHBondContact O-N 3.22Å; P250-S252 VanDerWaalsContact C-N 3.31Å; P250-S252 PolarHBondContact O-N 2.95Å; S252-T255 PolarHBondContact O-OG1 2.84Å; S252-T255 VanDerWaalsContact O-OG1 3.11Å; S252-L256 WeakPolarHBondContact O-CB 3.45Å; S252-L256 PolarHBondContact O-N 3.38Å
253I93.3Very high92.3Very high87 Ų8754 Ų5445%0.44631%0.314SS..Hα-helixtrans-72.2-43.9178.1-65.7176.2000111.4V249 P250 L256 L257 L294V249-I253 HydrophobicContact CG1-CD1 3.58Å; V249-I253 HydrophobicContact CG1-CG1 4.36Å; V249-I253 WeakPolarHBondContact O-CG1 3.14Å; V249-I253 PolarHBondContact O-N 2.87Å; P250-I253 PolarHBondContact O-N 3.12Å; I253-L256 PolarHBondContact O-N 2.88Å; I253-L257 WeakPolarHBondContact O-CB 3.21Å; I253-L257 PolarHBondContact O-N 3.16Å; I253-L294 HydrophobicContact CG1-CD1 4.27Å
254I95.1Very high92.6Very high103 Ų10352.5 Ų52.553%0.52831%0.313SS..Hα-helixtrans-65.8-43-179.8-67.5165.3000110.3P250 L256 L257 T258P250-I254 HydrophobicContact CB-CD1 4.12Å; P250-I254 WeakPolarHBondContact O-CB 3.25Å; P250-I254 WeakPolarHBondContact O-CD1 3.17Å; P250-I254 WeakPolarHBondContact O-CG1 3.29Å; P250-I254 PolarHBondContact O-N 3.37Å; I254-L256 PolarHBondContact O-N 2.93Å; I254-L257 PolarHBondContact O-N 2.9Å; I254-T258 VanDerWaalsContact O-CB 3.3Å; I254-T258 WeakPolarHBondContact O-CB 3.49Å; I254-T258 PolarHBondContact O-N 3.39Å; I254-T258 PolarHBondContact O-OG1 3.5Å
255T94.7Very high92.8Very high6 Ų653.3 Ų53.34%0.03732%0.32CS..Hα-helixtrans-63.2-40.6176.446.80000112.3V233 L251 S252 T258 M259V233-T255 HydrophobicContact CB-CG2 3.91Å; V233-T255 HydrophobicContact CG1-CG2 3.55Å; L251-T255 WeakPolarHBondContact O-CB 3.47Å; L251-T255 VanDerWaalsContact O-CG2 3.31Å; L251-T255 WeakPolarHBondContact O-CG2 3.37Å; L251-T255 PolarHBondContact O-N 3.12Å; L251-T255 PolarHBondContact O-OG1 3.26Å; S252-T255 PolarHBondContact O-OG1 2.84Å; S252-T255 VanDerWaalsContact O-OG1 3.11Å; T255-T258 PolarHBondContact O-N 2.67Å; T255-M259 WeakPolarHBondContact O-CB 3.27Å; T255-M259 PolarHBondContact O-N 3.12Å
256L95.3Very high93Very high31 Ų3152.2 Ų52.216%0.16231%0.308CS..Hα-helixtrans-63.3-49.8176.5-177.260.3000111.9S252 I253 I254 T258 M259 I260 V287 I290 F291S252-L256 WeakPolarHBondContact O-CB 3.45Å; S252-L256 PolarHBondContact O-N 3.38Å; I253-L256 PolarHBondContact O-N 2.88Å; I254-L256 PolarHBondContact O-N 2.93Å; L256-T258 VanDerWaalsContact C-N 3.35Å; L256-T258 PolarHBondContact O-N 3.01Å; L256-M259 PolarHBondContact O-N 3.43Å; L256-I260 HydrophobicContact CD1-CD1 4.17Å; L256-I260 HydrophobicContact CG-CD1 4.08Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 2.94Å; L256-V287 HydrophobicContact CD1-CG1 3.98Å; L256-I290 HydrophobicContact CB-CG2 3.8Å; L256-I290 HydrophobicContact CD1-CG2 4.27Å; L256-F291 HydrophobicContact CD2-CD2 4.44Å
257L96.3Very high93.2Very high107 Ų10749.8 Ų49.856%0.5628%0.283SS*.Hα-helixtrans-58.8-46.7175.7179.460.5000111.2I253 I254 M259 I260 T261I253-L257 WeakPolarHBondContact O-CB 3.21Å; I253-L257 PolarHBondContact O-N 3.16Å; I254-L257 PolarHBondContact O-N 2.9Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 2.74Å; L257-I260 PolarHBondContact O-N 2.78Å; L257-I260 VanDerWaalsContact O-N 3.16Å; L257-T261 PolarHBondContact O-N 2.85Å; L257-T261 PolarHBondContact O-OG1 2.96Å; L257-T261 VanDerWaalsContact O-OG1 3.13Å
258T96.2Very high93.4Very high59 Ų5952 Ų5236%0.36230%0.299SS..Hα-helixtrans-59-41.9179.1-52.20000111.8L230 I254 T255 L256 H262L230-T258 HydrophobicContact CD1-CG2 3.93Å; L230-T258 HydrophobicContact CD2-CG2 3.79Å; I254-T258 VanDerWaalsContact O-CB 3.3Å; I254-T258 WeakPolarHBondContact O-CB 3.49Å; I254-T258 PolarHBondContact O-N 3.39Å; I254-T258 PolarHBondContact O-OG1 3.5Å; T255-T258 PolarHBondContact O-N 2.67Å; L256-T258 VanDerWaalsContact C-N 3.35Å; L256-T258 PolarHBondContact O-N 3.01Å; T258-H262 VanDerWaalsContact O-CB 3.25Å; T258-H262 WeakPolarHBondContact O-CB 3.34Å; T258-H262 PolarHBondContact O-N 2.89Å
259M95.1Very high93.2Very high0 Ų057.5 Ų57.50%033%0.328CS..Hα-helixtrans-63.6-43176-17765.968.600112.2S227 L230 V231 T255 L256 L257 H262 S263 C286 V287 I290S227-M259 WeakPolarHBondContact O-CE 3.32Å; L230-M259 HydrophobicContact CB-CE 3.8Å; L230-M259 HydrophobicContact CD1-CB 4.42Å; L230-M259 HydrophobicContact CD1-CE 3.99Å; V231-M259 HydrophobicContact CG2-CE 4.15Å; T255-M259 WeakPolarHBondContact O-CB 3.27Å; T255-M259 PolarHBondContact O-N 3.12Å; L256-M259 PolarHBondContact O-N 3.43Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 2.74Å; M259-H262 PolarHBondContact O-N 2.8Å; M259-S263 PolarHBondContact O-N 3.32Å; M259-C286 HydrophobicContact CE-CB 3.57Å; M259-C286 HydrophobicContact SD-CB 3.96Å; M259-V287 HydrophobicContact CB-CG2 4.38Å; M259-V287 HydrophobicContact CG-CG2 3.47Å; M259-V287 VanDerWaalsContact CG-CG2 3.47Å; M259-I290 HydrophobicContact CB-CD1 3.94Å; M259-I290 HydrophobicContact CE-CD1 3.69Å; M259-I290 HydrophobicContact CG-CD1 4.21Å
260I94.7Very high93.2Very high67 Ų6755.6 Ų55.634%0.34432%0.316SS..Hα-helixtrans-65.2-46.3178.1-67.7165.8000110.6L256 L257 H262 S263 H264L256-I260 HydrophobicContact CD1-CD1 4.17Å; L256-I260 HydrophobicContact CG-CD1 4.08Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 2.94Å; L257-I260 PolarHBondContact O-N 2.78Å; L257-I260 VanDerWaalsContact O-N 3.16Å; I260-H262 VanDerWaalsContact C-N 3.34Å; I260-H262 PolarHBondContact O-N 3.38Å; I260-S263 WeakPolarHBondContact O-CB 3.32Å; I260-S263 PolarHBondContact O-N 3.13Å; I260-H264 PolarHBondContact O-CD2 3.18Å; I260-H264 PolarHBondContact O-N 3.01Å
261T95.6Very high93.2Very high84 Ų8453.5 Ų53.552%0.51530%0.303SS..Hα-helixtrans-61.5-41.5175.8-570000111.9L257 H264 A265L257-T261 PolarHBondContact O-N 2.85Å; L257-T261 PolarHBondContact O-OG1 2.96Å; L257-T261 VanDerWaalsContact O-OG1 3.13Å; T261-H264 PolarHBondContact O-N 3.46Å; T261-A265 PolarHBondContact O-N 3.24Å
262H93.8Very high93.1Very high41 Ų4156.3 Ų56.319%0.1933%0.325CS..Hα-helixtrans-62.5-42.2176.1-176.460.4000112.1Q222 T258 M259 I260 H264 A265 I266Q222-H262 PolarHBondContact O-CE1 3.07Å; Q222-H262 VanDerWaalsContact O-CE1 3.25Å; T258-H262 VanDerWaalsContact O-CB 3.25Å; T258-H262 WeakPolarHBondContact O-CB 3.34Å; T258-H262 PolarHBondContact O-N 2.89Å; M259-H262 PolarHBondContact O-N 2.8Å; I260-H262 VanDerWaalsContact C-N 3.34Å; I260-H262 PolarHBondContact O-N 3.38Å; H262-H264 PolarHBondContact O-N 2.84Å; H262-A265 PolarHBondContact O-N 2.87Å; H262-I266 WeakPolarHBondContact O-CD1 3.32Å; H262-I266 WeakPolarHBondContact O-CG1 3.31Å; H262-I266 PolarHBondContact O-N 3.04Å
263S92.3Very high93.2Very high22 Ų2258 Ų5815%0.15434%0.335CS..Hα-helixtrans-56.3-48.5172.8-176.40000112.7M259 I260 I266 N267M259-S263 PolarHBondContact O-N 3.32Å; I260-S263 WeakPolarHBondContact O-CB 3.32Å; I260-S263 PolarHBondContact O-N 3.13Å; S263-I266 PolarHBondContact O-N 2.86Å; S263-N267 WeakPolarHBondContact O-CB 3.44Å; S263-N267 PolarHBondContact O-N 2.84Å; S263-N267 PolarHBondContact O-ND2 3.48Å; S263-N267 VanDerWaalsContact O-ND2 3.14Å; S263-N267 PolarHBondContact OG-ND2 2.6Å
264H92.9Very high93.2Very high127 Ų12760.1 Ų60.159%0.58836%0.358SS*.Hα-helixtrans-64.6-40179.1-72.4-59.2000112.2I260 T261 H262 I266 N267 A268I260-H264 PolarHBondContact O-CD2 3.18Å; I260-H264 PolarHBondContact O-N 3.01Å; T261-H264 PolarHBondContact O-N 3.46Å; H262-H264 PolarHBondContact O-N 2.84Å; H264-I266 VanDerWaalsContact C-N 3.3Å; H264-I266 PolarHBondContact O-N 2.91Å; H264-N267 PolarHBondContact O-N 2.94Å; H264-A268 VanDerWaalsContact O-CB 3.31Å; H264-A268 WeakPolarHBondContact O-CB 3.44Å; H264-A268 PolarHBondContact O-N 2.03Å
265A93.4Very high93.1Very high59 Ų5959.1 Ų59.149%0.48835%0.348SS..Hα-helixtrans-61.2-36.7178.100000112.9T261 H262 N269T261-A265 PolarHBondContact O-N 3.24Å; H262-A265 PolarHBondContact O-N 2.87Å; A265-N269 PolarHBondContact O-ND2 3.26Å
266I90.6Very high93Very high18 Ų1862.2 Ų62.29%0.09237%0.374CS..Hα-helixtrans-76.2-48.2176.5-56.5154.8000110.5V223 H262 S263 H264 A268 N269 L279V223-I266 HydrophobicContact CB-CD1 4.13Å; V223-I266 HydrophobicContact CG1-CD1 3.53Å; V223-I266 HydrophobicContact CG2-CD1 3.64Å; V223-I266 HydrophobicContact CG2-CG1 4.04Å; H262-I266 WeakPolarHBondContact O-CD1 3.32Å; H262-I266 WeakPolarHBondContact O-CG1 3.31Å; H262-I266 PolarHBondContact O-N 3.04Å; S263-I266 PolarHBondContact O-N 2.86Å; H264-I266 VanDerWaalsContact C-N 3.3Å; H264-I266 PolarHBondContact O-N 2.91Å; I266-A268 PolarHBondContact O-N 2.8Å; I266-N269 PolarHBondContact O-N 2.93Å; I266-N269 VanDerWaalsContact O-N 3.16Å; I266-L279 HydrophobicContact CB-CD2 4.41Å; I266-L279 HydrophobicContact CG2-CD2 3.53Å
267N91.1Very high92.9Very high40 Ų4061.2 Ų61.221%0.21437%0.368CS..Hα-helixtrans-65.1-23.7-178.2-82-60.2000113.4S263 H264 N269 L270 K277S263-N267 WeakPolarHBondContact O-CB 3.44Å; S263-N267 PolarHBondContact O-N 2.84Å; S263-N267 PolarHBondContact O-ND2 3.48Å; S263-N267 VanDerWaalsContact O-ND2 3.14Å; S263-N267 PolarHBondContact OG-ND2 2.6Å; H264-N267 PolarHBondContact O-N 2.94Å; N267-N269 PolarHBondContact O-N 3.04Å; N267-L270 PolarHBondContact O-N 2.78Å; N267-L270 VanDerWaalsContact O-N 3.12Å; N267-K277 VanDerWaalsContact OD1-CE 3.32Å; N267-K277 WeakPolarHBondContact OD1-CE 3.11Å; N267-K277 PolarHBondContact OD1-NZ 2.94Å
268A91.9Very high92.9Very high73 Ų7356.1 Ų56.160%0.60334%0.342SS*.THydrogen-bonded Turntrans-63.3-22.3174.300000114.2H264 I266 L270H264-A268 VanDerWaalsContact O-CB 3.31Å; H264-A268 WeakPolarHBondContact O-CB 3.44Å; H264-A268 PolarHBondContact O-N 2.03Å; I266-A268 PolarHBondContact O-N 2.8Å; A268-L270 VanDerWaalsContact C-N 3.35Å
269N87.6Confident92.7Very high116 Ų11653.4 Ų53.462%0.6233%0.325SS*.THydrogen-bonded Turntrans-89.6-1.5177-61-66.9000113A265 I266 N267A265-N269 PolarHBondContact O-ND2 3.26Å; I266-N269 PolarHBondContact O-N 2.93Å; I266-N269 VanDerWaalsContact O-N 3.16Å; N267-N269 PolarHBondContact O-N 3.04Å
270L90.8Very high92.7Very high7 Ų755.5 Ų55.54%0.03734%0.336CS..SBendtrans-114.3150.5-173.3-70.6168.3000111.1E48 Y49 Y141 N267 A268 K277E48-L270 HydrophobicContact CB-CD2 4.46Å; Y49-L270 WeakPolarHBondContact CD2-O 3.24Å; Y141-L270 HydrophobicContact CD1-CD1 4.02Å; Y141-L270 HydrophobicContact CD2-CD2 4.22Å; Y141-L270 HydrophobicContact CE1-CD1 3.54Å; Y141-L270 HydrophobicContact CE1-CD2 4.18Å; Y141-L270 HydrophobicContact CE1-CG 4.43Å; Y141-L270 HydrophobicContact CE2-CD1 4.49Å; Y141-L270 HydrophobicContact CE2-CD2 3.62Å; N267-L270 PolarHBondContact O-N 2.78Å; N267-L270 VanDerWaalsContact O-N 3.12Å; A268-L270 VanDerWaalsContact C-N 3.35Å; L270-K277 HydrophobicContact CD1-CD 4.47Å
271P92.6Very high92.6Very high12 Ų1255 Ų558%0.07834%0.336CS..  trans-65.7142.6173.629.9-33.5000109.3E48 M51 L138 V273E48-P271 WeakPolarHBondContact O-CD 3.31Å; E48-P271 VanDerWaalsContact O-CG 3.28Å; E48-P271 WeakPolarHBondContact O-CG 3.12Å; M51-P271 HydrophobicContact CE-CB 4.31Å; M51-P271 HydrophobicContact CE-CG 3.65Å; M51-P271 HydrophobicContact SD-CG 4.39Å; L138-P271 HydrophobicContact CD1-CG 3.53Å; P271-V273 HydrophobicContact CG-CG1 4.38Å; P271-V273 PolarHBondContact O-N 2.95Å
272P91.7Very high92.6Very high123 Ų12351.1 Ų51.180%0.79931%0.312SS*.  trans-65.4109.4171.627.2-32.9000109.5
273V91.7Very high92.7Very high36 Ų3649.5 Ų49.522%0.21831%0.305CS..  trans-102.7145.6176.2-68.90000110.6L138 P271 Y275 K277L138-V273 HydrophobicContact CD1-CG1 4.33Å; P271-V273 HydrophobicContact CG-CG1 4.38Å; P271-V273 PolarHBondContact O-N 2.95Å; V273-Y275 VanDerWaalsContact C-N 3.28Å; V273-Y275 HydrophobicContact CB-CD1 4.26Å; V273-Y275 HydrophobicContact CB-CD2 4.44Å; V273-Y275 HydrophobicContact CB-CE1 3.94Å; V273-Y275 HydrophobicContact CB-CE2 4.12Å; V273-Y275 HydrophobicContact CG1-CE1 4.13Å; V273-Y275 HydrophobicContact CG1-CE2 4.39Å; V273-Y275 HydrophobicContact CG2-CD2 4.29Å; V273-Y275 HydrophobicContact CG2-CE2 4.06Å; V273-Y275 PolarHBondContact O-N 2.97Å; V273-K277 HydrophobicContact CG2-CD 3.88Å; V273-K277 HydrophobicContact CG2-CG 3.86Å
274S93.2Very high92.8Very high132 Ų13250 Ų5092%0.92331%0.314SS*.SBendtrans-81.2-2.2-178.653.50000114.5
275Y93.7Very high92.9Very high82 Ų8244.6 Ų44.632%0.32229%0.292SS..SBendtrans-118.7152.1-178.654.4-99.7000111.2L138 A139 V273 K277L138-Y275 HydrophobicContact CB-CE2 4.38Å; L138-Y275 PolarHBondContact N-OH 2.86Å; A139-Y275 HydrophobicContact CB-CD2 4.25Å; A139-Y275 HydrophobicContact CB-CE2 4.1Å; V273-Y275 VanDerWaalsContact C-N 3.28Å; V273-Y275 HydrophobicContact CB-CD1 4.26Å; V273-Y275 HydrophobicContact CB-CD2 4.44Å; V273-Y275 HydrophobicContact CB-CE1 3.94Å; V273-Y275 HydrophobicContact CB-CE2 4.12Å; V273-Y275 HydrophobicContact CG1-CE1 4.13Å; V273-Y275 HydrophobicContact CG1-CE2 4.39Å; V273-Y275 HydrophobicContact CG2-CD2 4.29Å; V273-Y275 HydrophobicContact CG2-CE2 4.06Å; V273-Y275 PolarHBondContact O-N 2.97Å; Y275-K277 PolarHBondContact O-N 2.96Å
276A92.5Very high93Very high70 Ų7041.8 Ų41.858%0.57927%0.269SS*.  trans-68.8130176.200000111.3
277K94.2Very high93.2Very high11 Ų1142.7 Ų42.75%0.04828%0.275CS..  trans-86.2156172.9-53.2179.1-60.4-620110A139 N267 L270 V273 Y275 L279 D280 V281A139-K277 CarbonylContact O-C 3.42Å; N267-K277 VanDerWaalsContact OD1-CE 3.32Å; N267-K277 WeakPolarHBondContact OD1-CE 3.11Å; N267-K277 PolarHBondContact OD1-NZ 2.94Å; L270-K277 HydrophobicContact CD1-CD 4.47Å; V273-K277 HydrophobicContact CG2-CD 3.88Å; V273-K277 HydrophobicContact CG2-CG 3.86Å; Y275-K277 PolarHBondContact O-N 2.96Å; K277-L279 PolarHBondContact O-N 3.04Å; K277-D280 VanDerWaalsContact CB-OD2 3.28Å; K277-D280 WeakPolarHBondContact CB-OD2 3.13Å; K277-D280 WeakPolarHBondContact CE-OD1 3.46Å; K277-D280 WeakPolarHBondContact CG-OD2 3.09Å; K277-D280 PolarHBondContact N-OD2 3Å; K277-D280 IonicContact NZ-OD1 2.94Å; K277-D280 PolarHBondContact NZ-OD1 2.68Å; K277-D280 IonicContact NZ-OD2 3.9Å; K277-D280 PolarHBondContact NZ-OD2 2.95Å; K277-D280 WeakPolarHBondContact O-CB 3.47Å; K277-D280 PolarHBondContact O-N 3.11Å; K277-V281 PolarHBondContact O-N 2.86Å; K277-V281 VanDerWaalsContact O-N 3.16Å
278A94.4Very high93.4Very high0 Ų046.1 Ų46.10%029%0.291CS..Hα-helixtrans-53.8-36171.500000112.4A139 V281 W282 Y442 Y446A139-A278 PolarHBondContact O-N 2.97Å; A278-V281 PolarHBondContact O-N 3.42Å; A278-W282 PolarHBondContact O-N 3.35Å; A278-W282 VanDerWaalsContact O-N 3.12Å; A278-Y442 VanDerWaalsContact C-OH 3.32Å; A278-Y442 VanDerWaalsContact O-CE2 3.3Å; A278-Y442 WeakPolarHBondContact O-CE2 3.48Å; A278-Y442 PolarHBondContact O-OH 3.09Å; A278-Y446 HydrophobicContact CB-CD1 3.35Å; A278-Y446 HydrophobicContact CB-CD2 4.28Å; A278-Y446 HydrophobicContact CB-CE1 3.45Å; A278-Y446 VanDerWaalsContact CB-CE1 3.45Å; A278-Y446 HydrophobicContact CB-CE2 4.36Å; A278-Y446 HydrophobicContact CB-CG 3.79Å
279L93.4Very high93.6Very high2 Ų244.1 Ų44.11%0.0127%0.269CS..Hα-helixtrans-62.7-40.7171.117761.2000113.5Y141 V223 I266 K277 V281 W282 V283Y141-L279 HydrophobicContact CD1-CB 4.25Å; Y141-L279 HydrophobicContact CD1-CD2 4.19Å; Y141-L279 HydrophobicContact CE1-CD2 3.98Å; Y141-L279 PolarHBondContact O-N 2.88Å; V223-L279 HydrophobicContact CG1-CD1 3.54Å; I266-L279 HydrophobicContact CB-CD2 4.41Å; I266-L279 HydrophobicContact CG2-CD2 3.53Å; K277-L279 PolarHBondContact O-N 3.04Å; L279-V281 VanDerWaalsContact C-N 3.29Å; L279-V281 PolarHBondContact O-N 2.8Å; L279-W282 WeakPolarHBondContact O-CB 3.29Å; L279-W282 PolarHBondContact O-N 2.94Å; L279-V283 HydrophobicContact CD1-CG2 3.87Å; L279-V283 HydrophobicContact CG-CG2 4.34Å; L279-V283 WeakPolarHBondContact O-CG2 3.42Å; L279-V283 PolarHBondContact O-N 2.86Å
280D94Very high93.9Very high44 Ų4438.6 Ų38.624%0.23524%0.24CC..Hα-helixtrans-66.5-35.7-179.5-56.4-37.6000111K277 G284K277-D280 VanDerWaalsContact CB-OD2 3.28Å; K277-D280 WeakPolarHBondContact CB-OD2 3.13Å; K277-D280 WeakPolarHBondContact CE-OD1 3.46Å; K277-D280 WeakPolarHBondContact CG-OD2 3.09Å; K277-D280 PolarHBondContact N-OD2 3Å; K277-D280 IonicContact NZ-OD1 2.94Å; K277-D280 PolarHBondContact NZ-OD1 2.68Å; K277-D280 IonicContact NZ-OD2 3.9Å; K277-D280 PolarHBondContact NZ-OD2 2.95Å; K277-D280 WeakPolarHBondContact O-CB 3.47Å; K277-D280 PolarHBondContact O-N 3.11Å; D280-G284 WeakPolarHBondContact O-CA 3.44Å; D280-G284 PolarHBondContact O-N 3.45Å
281V94.4Very high94.1Very high57 Ų5742.7 Ų42.735%0.34526%0.257SS..Hα-helixtrans-67-40.5174.4176.60000111.4K277 A278 L279 G285 Y442 Y446K277-V281 PolarHBondContact O-N 2.86Å; K277-V281 VanDerWaalsContact O-N 3.16Å; A278-V281 PolarHBondContact O-N 3.42Å; L279-V281 VanDerWaalsContact C-N 3.29Å; L279-V281 PolarHBondContact O-N 2.8Å; V281-G285 PolarHBondContact O-N 2.72Å; V281-Y442 HydrophobicContact CG1-CD2 4.49Å; V281-Y442 HydrophobicContact CG1-CE2 4.48Å; V281-Y446 HydrophobicContact CB-CE2 4.42Å; V281-Y446 HydrophobicContact CG1-CE2 4.21Å
282W95.3Very high94.1Very high1 Ų145.6 Ų45.60%0.00427%0.274CS..Hα-helixtrans-61-53.8173.8175-98.6000112Y224 S227 S228 A278 L279 G285 C286 F435 F438 N439 Y442 W443Y224-W282 AromaticContact CD1-CD2 3.64Å; Y224-W282 HydrophobicContact CD1-CD2 3.64Å; Y224-W282 AromaticContact CD1-CE2 3.51Å; Y224-W282 HydrophobicContact CD1-CE3 4.13Å; Y224-W282 AromaticContact CD1-CG 3.99Å; Y224-W282 HydrophobicContact CD1-CG 3.99Å; Y224-W282 HydrophobicContact CD1-CH2 4.34Å; Y224-W282 AromaticContact CD1-CZ2 3.9Å; Y224-W282 HydrophobicContact CD1-CZ2 3.9Å; Y224-W282 HydrophobicContact CD1-CZ3 4.45Å; Y224-W282 AromaticContact CD1-NE1 3.74Å; Y224-W282 HydrophobicContact CE1-CB 4.19Å; Y224-W282 AromaticContact CE1-CD2 3.66Å; Y224-W282 HydrophobicContact CE1-CD2 3.66Å; Y224-W282 HydrophobicContact CE1-CE3 4.08Å; Y224-W282 AromaticContact CE1-CG 3.68Å; Y224-W282 HydrophobicContact CE1-CG 3.68Å; S227-W282 PolarHBondContact OG-NE1 2.94Å; S228-W282 WeakPolarHBondContact OG-CZ2 3.45Å; A278-W282 PolarHBondContact O-N 3.35Å; A278-W282 VanDerWaalsContact O-N 3.12Å; L279-W282 WeakPolarHBondContact O-CB 3.29Å; L279-W282 PolarHBondContact O-N 2.94Å; W282-G285 PolarHBondContact O-N 3.48Å; W282-C286 PolarHBondContact O-N 3.16Å; W282-C286 PolarHBondContact O-SG 2.87Å; W282-F435 HydrophobicContact CH2-CZ 4.48Å; W282-F438 AromaticContact CE3-CE1 3.89Å; W282-F438 HydrophobicContact CE3-CE1 3.89Å; W282-F438 HydrophobicContact CE3-CZ 4.42Å; W282-F438 HydrophobicContact CZ3-CE1 4.03Å; W282-N439 VanDerWaalsContact CH2-OD1 3.27Å; W282-N439 WeakPolarHBondContact CH2-OD1 3.47Å; W282-N439 WeakPolarHBondContact CZ3-OD1 3.43Å; W282-Y442 HydrophobicContact CB-CD2 4.43Å; W282-Y442 HydrophobicContact CB-CE1 4.44Å; W282-Y442 HydrophobicContact CB-CE2 3.67Å; W282-Y442 HydrophobicContact CD2-CE1 4.43Å; W282-Y442 AromaticContact CE3-CD1 3.55Å; W282-Y442 HydrophobicContact CE3-CD1 3.55Å; W282-Y442 HydrophobicContact CE3-CD2 4.11Å; W282-Y442 AromaticContact CE3-CE1 3.73Å; W282-Y442 HydrophobicContact CE3-CE1 3.73Å; W282-Y442 HydrophobicContact CE3-CE2 4.26Å; W282-Y442 AromaticContact CE3-CG 3.78Å; W282-Y442 HydrophobicContact CE3-CG 3.78Å; W282-Y442 AromaticContact CZ3-CD1 3.95Å; W282-Y442 HydrophobicContact CZ3-CD1 3.95Å; W282-Y442 HydrophobicContact CZ3-CE1 4.43Å; W282-Y442 HydrophobicContact CZ3-CG 4.27Å; W282-W443 HydrophobicContact CZ3-CZ2 4.34Å
283V94.5Very high94.1Very high7 Ų739.7 Ų39.74%0.04224%0.236CC..Hα-helixtrans-64.5-44.3-177.9171.70000110.9L279 G285 C286 V287L279-V283 HydrophobicContact CD1-CG2 3.87Å; L279-V283 HydrophobicContact CG-CG2 4.34Å; L279-V283 WeakPolarHBondContact O-CG2 3.42Å; L279-V283 PolarHBondContact O-N 2.86Å; V283-G285 VanDerWaalsContact C-N 3.32Å; V283-G285 PolarHBondContact O-N 2.79Å; V283-C286 PolarHBondContact O-N 3.48Å; V283-V287 HydrophobicContact CG1-CG2 4.38Å; V283-V287 WeakPolarHBondContact O-CG2 3.18Å; V283-V287 PolarHBondContact O-N 2.8Å
284G94.9Very high94.1Very high34 Ų3440 Ų4035%0.35124%0.236SC..Hα-helixtrans-58.9-42.3175.100000112.2D280 V287 M288D280-G284 WeakPolarHBondContact O-CA 3.44Å; D280-G284 PolarHBondContact O-N 3.45Å; G284-V287 PolarHBondContact O-N 3.4Å; G284-M288 VanDerWaalsContact O-CG 3.32Å; G284-M288 WeakPolarHBondContact O-CG 3.4Å; G284-M288 PolarHBondContact O-N 2.74Å
285G95.1Very high94.1Very high12 Ų1237 Ų3712%0.12421%0.209CC..Hα-helixtrans-58.7-49.4171.800000112.4V281 W282 V283 V287 M288 F289V281-G285 PolarHBondContact O-N 2.72Å; W282-G285 PolarHBondContact O-N 3.48Å; V283-G285 VanDerWaalsContact C-N 3.32Å; V283-G285 PolarHBondContact O-N 2.79Å; G285-V287 PolarHBondContact O-N 3.34Å; G285-M288 WeakPolarHBondContact O-CB 3.18Å; G285-M288 PolarHBondContact O-N 3.27Å; G285-M288 VanDerWaalsContact O-N 3.16Å; G285-F289 WeakPolarHBondContact O-CD2 3.11Å; G285-F289 PolarHBondContact O-N 2.98Å
286C95.5Very high94Very high0 Ų034 Ų340%020%0.198CC..Hα-helixtrans-61.7-41.8178.6-62.90000112.8V231 M259 W282 V283 M288 F289 I290V231-C286 HydrophobicContact CG2-CB 3.71Å; M259-C286 HydrophobicContact CE-CB 3.57Å; M259-C286 HydrophobicContact SD-CB 3.96Å; W282-C286 PolarHBondContact O-N 3.16Å; W282-C286 PolarHBondContact O-SG 2.87Å; V283-C286 PolarHBondContact O-N 3.48Å; C286-M288 VanDerWaalsContact C-N 3.35Å; C286-M288 PolarHBondContact O-N 2.99Å; C286-F289 PolarHBondContact O-N 2.83Å; C286-I290 WeakPolarHBondContact O-CG1 3.5Å; C286-I290 PolarHBondContact O-N 2.97Å; C286-I290 VanDerWaalsContact O-N 3.11Å
287V95.5Very high93.9Very high37 Ų3731.3 Ų31.322%0.22417%0.173CC..Hα-helixtrans-59.8-44173.2168.50000110.9L256 M259 V283 G284 G285 F289 I290 F291L256-V287 HydrophobicContact CD1-CG1 3.98Å; M259-V287 HydrophobicContact CB-CG2 4.38Å; M259-V287 HydrophobicContact CG-CG2 3.47Å; M259-V287 VanDerWaalsContact CG-CG2 3.47Å; V283-V287 HydrophobicContact CG1-CG2 4.38Å; V283-V287 WeakPolarHBondContact O-CG2 3.18Å; V283-V287 PolarHBondContact O-N 2.8Å; G284-V287 PolarHBondContact O-N 3.4Å; G285-V287 PolarHBondContact O-N 3.34Å; V287-F289 PolarHBondContact O-N 2.78Å; V287-I290 PolarHBondContact O-N 2.63Å; V287-F291 WeakPolarHBondContact O-CB 3.3Å; V287-F291 PolarHBondContact O-N 3.13Å
288M95Very high93.8Very high113 Ų11333.5 Ų33.556%0.55719%0.193SC*.Hα-helixtrans-62.2-40.6177.3-74.6-61.1-61.700112.5G284 G285 C286 F291 V292G284-M288 VanDerWaalsContact O-CG 3.32Å; G284-M288 WeakPolarHBondContact O-CG 3.4Å; G284-M288 PolarHBondContact O-N 2.74Å; G285-M288 WeakPolarHBondContact O-CB 3.18Å; G285-M288 PolarHBondContact O-N 3.27Å; G285-M288 VanDerWaalsContact O-N 3.16Å; C286-M288 VanDerWaalsContact C-N 3.35Å; C286-M288 PolarHBondContact O-N 2.99Å; M288-F291 PolarHBondContact O-N 2.97Å; M288-V292 WeakPolarHBondContact O-CB 3.06Å; M288-V292 VanDerWaalsContact O-CG2 3.28Å; M288-V292 WeakPolarHBondContact O-CG2 3.1Å; M288-V292 PolarHBondContact O-N 2.87Å
289F95.2Very high93.6Very high31 Ų3140 Ų4014%0.13622%0.222CC..Hα-helixtrans-61.9-47.1174.6-80.6-72.9000112.1V231 G285 C286 V287 F291 V292 S293 F431 L434 F435 F438V231-F289 HydrophobicContact CG1-CB 4.06Å; G285-F289 WeakPolarHBondContact O-CD2 3.11Å; G285-F289 PolarHBondContact O-N 2.98Å; C286-F289 PolarHBondContact O-N 2.83Å; V287-F289 PolarHBondContact O-N 2.78Å; F289-F291 VanDerWaalsContact C-N 3.34Å; F289-F291 PolarHBondContact O-N 2.98Å; F289-V292 PolarHBondContact O-N 2.9Å; F289-S293 PolarHBondContact O-N 2.93Å; F289-S293 VanDerWaalsContact O-N 3.1Å; F289-F431 HydrophobicContact CB-CE2 4.1Å; F289-F431 HydrophobicContact CB-CZ 3.95Å; F289-F431 HydrophobicContact CD1-CD2 4.45Å; F289-F431 HydrophobicContact CD1-CE2 4.05Å; F289-F431 HydrophobicContact CD1-CZ 4.24Å; F289-F431 HydrophobicContact CG-CZ 4.5Å; F289-F431 WeakPolarHBondContact O-CE2 3.42Å; F289-L434 HydrophobicContact CE1-CB 3.78Å; F289-L434 HydrophobicContact CZ-CB 4.27Å; F289-F435 HydrophobicContact CD1-CB 4.43Å; F289-F435 AromaticContact CD2-CD2 3.74Å; F289-F435 HydrophobicContact CD2-CD2 3.74Å; F289-F435 HydrophobicContact CD2-CE2 4.39Å; F289-F435 HydrophobicContact CE1-CB 4.14Å; F289-F435 AromaticContact CE2-CD2 3.83Å; F289-F435 HydrophobicContact CE2-CD2 3.83Å; F289-F435 HydrophobicContact CG-CD2 4.17Å; F289-F435 HydrophobicContact CZ-CB 4.24Å; F289-F435 HydrophobicContact CZ-CD2 4.31Å; F289-F438 HydrophobicContact CE2-CB 3.75Å; F289-F438 AromaticContact CE2-CD1 3.94Å; F289-F438 HydrophobicContact CE2-CD1 3.94Å; F289-F438 HydrophobicContact CE2-CD2 4.4Å; F289-F438 AromaticContact CE2-CG 3.77Å; F289-F438 HydrophobicContact CE2-CG 3.77Å; F289-F438 HydrophobicContact CZ-CB 3.88Å; F289-F438 HydrophobicContact CZ-CG 4.39Å
290I95Very high93.5Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-63.4-41.5178.2-61.7166.7000110.6V231 L256 M259 C286 V287 V292 S293 L294V231-I290 HydrophobicContact CG2-CD1 4.29Å; V231-I290 HydrophobicContact CG2-CG1 4.25Å; L256-I290 HydrophobicContact CB-CG2 3.8Å; L256-I290 HydrophobicContact CD1-CG2 4.27Å; M259-I290 HydrophobicContact CB-CD1 3.94Å; M259-I290 HydrophobicContact CE-CD1 3.69Å; M259-I290 HydrophobicContact CG-CD1 4.21Å; C286-I290 WeakPolarHBondContact O-CG1 3.5Å; C286-I290 PolarHBondContact O-N 2.97Å; C286-I290 VanDerWaalsContact O-N 3.11Å; V287-I290 PolarHBondContact O-N 2.63Å; I290-V292 PolarHBondContact O-N 2.86Å; I290-S293 PolarHBondContact O-N 2.78Å; I290-S293 VanDerWaalsContact O-N 3.16Å; I290-S293 PolarHBondContact O-OG 2.85Å; I290-L294 PolarHBondContact O-N 3.48Å; I290-L294 VanDerWaalsContact O-N 3.15Å
291F94.1Very high93.3Very high93 Ų9340 Ų4041%0.40822%0.222SC..Hα-helixtrans-64.1-38.6177-172-116.6000112.8L256 V287 M288 F289 S293 L294 I295L256-F291 HydrophobicContact CD2-CD2 4.44Å; V287-F291 WeakPolarHBondContact O-CB 3.3Å; V287-F291 PolarHBondContact O-N 3.13Å; M288-F291 PolarHBondContact O-N 2.97Å; F289-F291 VanDerWaalsContact C-N 3.34Å; F289-F291 PolarHBondContact O-N 2.98Å; F291-S293 VanDerWaalsContact C-N 3.31Å; F291-S293 PolarHBondContact O-N 2.98Å; F291-L294 PolarHBondContact O-N 2.75Å; F291-I295 HydrophobicContact CD1-CD1 3.73Å; F291-I295 HydrophobicContact CE1-CD1 3.43Å; F291-I295 VanDerWaalsContact CE1-CD1 3.43Å; F291-I295 HydrophobicContact CE1-CG1 4.33Å; F291-I295 HydrophobicContact CG-CD1 4.47Å; F291-I295 HydrophobicContact CZ-CD1 3.92Å; F291-I295 HydrophobicContact CZ-CG1 4.41Å; F291-I295 WeakPolarHBondContact O-CG1 3.19Å; F291-I295 PolarHBondContact O-N 2.96Å
292V93Very high93.1Very high72 Ų7244.3 Ų44.344%0.43623%0.233SC..Hα-helixtrans-63.1-35.8172.9167.40000111.8M288 F289 I290 I295 E296M288-V292 WeakPolarHBondContact O-CB 3.06Å; M288-V292 VanDerWaalsContact O-CG2 3.28Å; M288-V292 WeakPolarHBondContact O-CG2 3.1Å; M288-V292 PolarHBondContact O-N 2.87Å; F289-V292 PolarHBondContact O-N 2.9Å; I290-V292 PolarHBondContact O-N 2.86Å; V292-I295 PolarHBondContact O-N 3.49Å; V292-E296 WeakPolarHBondContact O-CB 3.46Å; V292-E296 PolarHBondContact O-N 3.14Å
293S91.8Very high92.8Very high0 Ų045.2 Ų45.20%024%0.241CC..Hα-helixtrans-66.8-35.817467.40000113.4S234 Y238 F289 I290 F291 E296 Y297S234-S293 WeakPolarHBondContact CB-OG 3.49Å; Y238-S293 WeakPolarHBondContact OH-CA 3.28Å; Y238-S293 VanDerWaalsContact OH-CB 3.23Å; Y238-S293 WeakPolarHBondContact OH-CB 3.49Å; F289-S293 PolarHBondContact O-N 2.93Å; F289-S293 VanDerWaalsContact O-N 3.1Å; I290-S293 PolarHBondContact O-N 2.78Å; I290-S293 VanDerWaalsContact O-N 3.16Å; I290-S293 PolarHBondContact O-OG 2.85Å; F291-S293 VanDerWaalsContact C-N 3.31Å; F291-S293 PolarHBondContact O-N 2.98Å; S293-E296 PolarHBondContact O-N 2.05Å; S293-Y297 PolarHBondContact O-N 3.3Å; S293-Y297 VanDerWaalsContact O-N 3.13Å
294L92.1Very high92.5Very high42 Ų4244.9 Ų44.922%0.2224%0.239CC..Hα-helixtrans-66.9-41.3173.4-176.567.7000112.1I253 I290 F291 Y297 A298I253-L294 HydrophobicContact CG1-CD1 4.27Å; I290-L294 PolarHBondContact O-N 3.48Å; I290-L294 VanDerWaalsContact O-N 3.15Å; F291-L294 PolarHBondContact O-N 2.75Å; L294-Y297 PolarHBondContact O-N 2.89Å; L294-A298 PolarHBondContact O-N 2.93Å; L294-A298 VanDerWaalsContact O-N 3.15Å
295I92.8Very high92.2Very high68 Ų6847.2 Ų47.235%0.34924%0.243SC..Hα-helixtrans-64-43175.2-73.5171.5000111.2F291 V292 Y297 A298 F299F291-I295 HydrophobicContact CD1-CD1 3.73Å; F291-I295 HydrophobicContact CE1-CD1 3.43Å; F291-I295 VanDerWaalsContact CE1-CD1 3.43Å; F291-I295 HydrophobicContact CE1-CG1 4.33Å; F291-I295 HydrophobicContact CG-CD1 4.47Å; F291-I295 HydrophobicContact CZ-CD1 3.92Å; F291-I295 HydrophobicContact CZ-CG1 4.41Å; F291-I295 WeakPolarHBondContact O-CG1 3.19Å; F291-I295 PolarHBondContact O-N 2.96Å; V292-I295 PolarHBondContact O-N 3.49Å; I295-Y297 VanDerWaalsContact C-N 3.35Å; I295-Y297 PolarHBondContact O-N 2.89Å; I295-A298 WeakPolarHBondContact O-CB 3.48Å; I295-A298 PolarHBondContact O-N 2.95Å; I295-F299 HydrophobicContact CG2-CD2 3.65Å; I295-F299 HydrophobicContact CG2-CE2 3.5Å; I295-F299 VanDerWaalsContact CG2-CE2 3.5Å; I295-F299 VanDerWaalsContact O-CD2 3.31Å; I295-F299 WeakPolarHBondContact O-CD2 3.36Å; I295-F299 PolarHBondContact O-N 2.92Å
296E92Very high91.9Very high20 Ų2053.1 Ų53.19%0.09326%0.261CS..Hα-helixtrans-59.6-47178.3-170.4-92.9-160.800110.8Y238 V292 S293 A298 F299 V300 I423 S427Y238-E296 WeakPolarHBondContact CD1-OE1 3.33Å; Y238-E296 WeakPolarHBondContact CD1-OE2 3.05Å; Y238-E296 HydrophobicContact CE1-CB 4.06Å; Y238-E296 HydrophobicContact CE1-CG 3.92Å; Y238-E296 WeakPolarHBondContact CE1-OE2 3.4Å; V292-E296 WeakPolarHBondContact O-CB 3.46Å; V292-E296 PolarHBondContact O-N 3.14Å; S293-E296 PolarHBondContact O-N 2.05Å; E296-A298 VanDerWaalsContact C-N 3.3Å; E296-A298 PolarHBondContact O-N 2.72Å; E296-F299 PolarHBondContact O-N 2.9Å; E296-F299 VanDerWaalsContact O-N 3.1Å; E296-V300 HydrophobicContact CG-CG2 4.39Å; E296-V300 WeakPolarHBondContact O-CG2 3.26Å; E296-V300 PolarHBondContact O-N 3.48Å; E296-I423 HydrophobicContact CG-CG2 4.2Å; E296-S427 WeakPolarHBondContact OE1-CB 3.39Å; E296-S427 PolarHBondContact OE1-OG 3.05Å
297Y90.3Very high91.4Very high14 Ų1455.2 Ų55.26%0.05527%0.271CS..Hα-helixtrans-57.9-41.3175169.9-99.1000112.4A245 R248 V249 S293 L294 I295 F299 V300 N301A245-Y297 WeakPolarHBondContact CA-OH 3.46Å; A245-Y297 WeakPolarHBondContact CB-OH 3.22Å; R248-Y297 HydrophobicContact CB-CD2 3.71Å; R248-Y297 HydrophobicContact CB-CE2 3.8Å; R248-Y297 HydrophobicContact CB-CG 4.3Å; R248-Y297 HydrophobicContact CG-CD2 4.21Å; R248-Y297 HydrophobicContact CG-CE2 4.36Å; V249-Y297 HydrophobicContact CG2-CD1 3.86Å; V249-Y297 HydrophobicContact CG2-CE1 3.13Å; S293-Y297 PolarHBondContact O-N 3.3Å; S293-Y297 VanDerWaalsContact O-N 3.13Å; L294-Y297 PolarHBondContact O-N 2.89Å; I295-Y297 VanDerWaalsContact C-N 3.35Å; I295-Y297 PolarHBondContact O-N 2.89Å; Y297-F299 VanDerWaalsContact C-N 3.33Å; Y297-F299 PolarHBondContact O-N 2.83Å; Y297-V300 PolarHBondContact O-N 2.94Å; Y297-N301 HydrophobicContact CE1-CB 4.29Å; Y297-N301 HydrophobicContact CE2-CB 4.23Å; Y297-N301 VanDerWaalsContact O-CB 3.24Å; Y297-N301 WeakPolarHBondContact O-CB 3.46Å; Y297-N301 PolarHBondContact O-N 2.9Å
298A91.3Very high90.9Very high57 Ų5757.4 Ų57.447%0.47128%0.279SS..Hα-helixtrans-61.5-41177.100000112.1L294 I295 E296 Y302L294-A298 PolarHBondContact O-N 2.93Å; L294-A298 VanDerWaalsContact O-N 3.15Å; I295-A298 WeakPolarHBondContact O-CB 3.48Å; I295-A298 PolarHBondContact O-N 2.95Å; E296-A298 VanDerWaalsContact C-N 3.3Å; E296-A298 PolarHBondContact O-N 2.72Å; A298-Y302 WeakPolarHBondContact O-CB 3.42Å; A298-Y302 PolarHBondContact O-N 3.08Å
299F91.1Very high90.5Very high135 Ų13555.5 Ų55.559%0.59228%0.276SS*.Hα-helixtrans-68.1-42.7174.2-79.7-64.8000113.2I295 E296 Y297 Y302 A303I295-F299 HydrophobicContact CG2-CD2 3.65Å; I295-F299 HydrophobicContact CG2-CE2 3.5Å; I295-F299 VanDerWaalsContact CG2-CE2 3.5Å; I295-F299 VanDerWaalsContact O-CD2 3.31Å; I295-F299 WeakPolarHBondContact O-CD2 3.36Å; I295-F299 PolarHBondContact O-N 2.92Å; E296-F299 PolarHBondContact O-N 2.9Å; E296-F299 VanDerWaalsContact O-N 3.1Å; Y297-F299 VanDerWaalsContact C-N 3.33Å; Y297-F299 PolarHBondContact O-N 2.83Å; F299-Y302 PolarHBondContact O-N 2.65Å; F299-A303 WeakPolarHBondContact O-CB 3.48Å; F299-A303 PolarHBondContact O-N 2.85Å
300V90.4Very high90Very high0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-62.4-46.4177.41740000110.4W242 E296 Y297 A303 G304 A420 I423W242-V300 HydrophobicContact CB-CG1 3.51Å; W242-V300 HydrophobicContact CG-CG1 4.1Å; E296-V300 HydrophobicContact CG-CG2 4.39Å; E296-V300 WeakPolarHBondContact O-CG2 3.26Å; E296-V300 PolarHBondContact O-N 3.48Å; Y297-V300 PolarHBondContact O-N 2.94Å; V300-A303 PolarHBondContact O-N 2.94Å; V300-G304 PolarHBondContact O-N 3.11Å; V300-A420 HydrophobicContact CG1-CB 4.09Å; V300-I423 HydrophobicContact CG2-CB 3.91Å; V300-I423 HydrophobicContact CG2-CG2 3.55Å
301N89.9Confident89.5Confident48 Ų4861.5 Ų61.526%0.25731%0.309SS..Hα-helixtrans-62.2-46.9177.3-173.435.2000111.4Y297 A303 G304 L305Y297-N301 HydrophobicContact CE1-CB 4.29Å; Y297-N301 HydrophobicContact CE2-CB 4.23Å; Y297-N301 VanDerWaalsContact O-CB 3.24Å; Y297-N301 WeakPolarHBondContact O-CB 3.46Å; Y297-N301 PolarHBondContact O-N 2.9Å; N301-A303 PolarHBondContact O-N 2.84Å; N301-G304 PolarHBondContact O-N 2.81Å; N301-L305 WeakPolarHBondContact O-CB 3.4Å; N301-L305 WeakPolarHBondContact O-CD1 3.43Å; N301-L305 WeakPolarHBondContact O-CG 3.14Å; N301-L305 PolarHBondContact O-N 2.8Å
302Y89.6Confident89Confident147 Ų14759.4 Ų59.458%0.57631%0.309SS*.Hα-helixtrans-59.9-43.3175.7175.7-99.8000112.6A298 F299 R306A298-Y302 WeakPolarHBondContact O-CB 3.42Å; A298-Y302 PolarHBondContact O-N 3.08Å; F299-Y302 PolarHBondContact O-N 2.65Å; Y302-R306 WeakPolarHBondContact O-CB 3.45Å; Y302-R306 PolarHBondContact O-N 2.75Å
303A89.5Confident88.4Confident20 Ų2062 Ų6217%0.16532%0.317CS..Hα-helixtrans-64.6-43.8176.400000112F299 V300 N301 R306 E307 I423F299-A303 WeakPolarHBondContact O-CB 3.48Å; F299-A303 PolarHBondContact O-N 2.85Å; V300-A303 PolarHBondContact O-N 2.94Å; N301-A303 PolarHBondContact O-N 2.84Å; A303-R306 PolarHBondContact O-N 2.89Å; A303-E307 WeakPolarHBondContact O-CG 3.42Å; A303-E307 PolarHBondContact O-N 2.97Å; A303-I423 HydrophobicContact CB-CD1 4.4Å
304G88.5Confident87.8Confident0 Ų068 Ų680%035%0.347CS..Hα-helixtrans-65.3-43.9178.300000113.2W242 V300 N301 E307 Q308W242-G304 VanDerWaalsContact CH2-CA 3.44Å; V300-G304 PolarHBondContact O-N 3.11Å; N301-G304 PolarHBondContact O-N 2.81Å; G304-E307 PolarHBondContact O-N 3.31Å; G304-Q308 WeakPolarHBondContact O-CG 3.4Å; G304-Q308 PolarHBondContact O-N 2.94Å
305L87.7Confident87.3Confident82 Ų8272.4 Ų72.443%0.42936%0.364SS..Hα-helixtrans-59-47.2173-79.4160.3000111.4N301 E307 Q308 C309N301-L305 WeakPolarHBondContact O-CB 3.4Å; N301-L305 WeakPolarHBondContact O-CD1 3.43Å; N301-L305 WeakPolarHBondContact O-CG 3.14Å; N301-L305 PolarHBondContact O-N 2.8Å; L305-E307 VanDerWaalsContact C-N 3.32Å; L305-E307 PolarHBondContact O-N 2.87Å; L305-Q308 WeakPolarHBondContact O-CB 3.2Å; L305-Q308 PolarHBondContact O-N 3.01Å; L305-Q308 VanDerWaalsContact O-N 3.14Å; L305-C309 PolarHBondContact O-N 2.94Å; L305-C309 PolarHBondContact O-SG 2.96Å; L305-C309 VanDerWaalsContact O-SG 3.41Å
306R88.9Confident86.5Confident136 Ų13674.7 Ų74.751%0.51338%0.381SS..Hα-helixtrans-60-41.1177.7-176.6177.2179.1170.64.5112.4Y302 A303 C309 Q310Y302-R306 WeakPolarHBondContact O-CB 3.45Å; Y302-R306 PolarHBondContact O-N 2.75Å; A303-R306 PolarHBondContact O-N 2.89Å; R306-C309 PolarHBondContact O-N 2.84Å; R306-Q310 WeakPolarHBondContact O-CG 3.32Å; R306-Q310 PolarHBondContact O-N 2.64Å; R306-Q310 VanDerWaalsContact O-N 3.08Å
307E86.6Confident85.2Confident44 Ų4477.7 Ų77.721%0.20640%0.404CS..Hα-helixtrans-68.5-35.2176-72-175.3156.300112.1A303 G304 L305 V311 S418 R419A303-E307 WeakPolarHBondContact O-CG 3.42Å; A303-E307 PolarHBondContact O-N 2.97Å; G304-E307 PolarHBondContact O-N 3.31Å; L305-E307 VanDerWaalsContact C-N 3.32Å; L305-E307 PolarHBondContact O-N 2.87Å; E307-V311 VanDerWaalsContact O-CG2 3.3Å; E307-V311 WeakPolarHBondContact O-CG2 3.28Å; E307-V311 PolarHBondContact O-N 3.29Å; E307-S418 WeakPolarHBondContact OE2-CA 3.32Å; E307-S418 VanDerWaalsContact OE2-CB 3.24Å; E307-S418 WeakPolarHBondContact OE2-CB 3.45Å; E307-R419 WeakPolarHBondContact OE1-CB 3.37Å; E307-R419 VanDerWaalsContact OE1-CD 3.25Å; E307-R419 WeakPolarHBondContact OE1-CD 3.47Å; E307-R419 WeakPolarHBondContact OE1-CG 3.44Å; E307-R419 PolarHBondContact OE1-N 2.97Å; E307-R419 PolarHBondContact OE2-N 3.47Å
308Q84.9Confident83.8Confident84 Ų8480.5 Ų80.539%0.39343%0.43SS..Hα-helixtrans-64.1-44.6172.9-71.2-176.723.800112.3W242 G304 L305 V311 A312W242-Q308 HydrophobicContact CH2-CG 4.19Å; W242-Q308 VanDerWaalsContact CZ3-NE2 3.32Å; G304-Q308 WeakPolarHBondContact O-CG 3.4Å; G304-Q308 PolarHBondContact O-N 2.94Å; L305-Q308 WeakPolarHBondContact O-CB 3.2Å; L305-Q308 PolarHBondContact O-N 3.01Å; L305-Q308 VanDerWaalsContact O-N 3.14Å; Q308-V311 PolarHBondContact O-N 2.82Å; Q308-A312 PolarHBondContact O-N 3.39Å
309C86.4Confident82.2Confident73 Ų7384.3 Ų84.349%0.49344%0.443SS..Hα-helixtrans-60.4-47.1175.7-65.80000111.9L305 R306 V311 A312 E313L305-C309 PolarHBondContact O-N 2.94Å; L305-C309 PolarHBondContact O-SG 2.96Å; L305-C309 VanDerWaalsContact O-SG 3.41Å; R306-C309 PolarHBondContact O-N 2.84Å; C309-V311 VanDerWaalsContact C-N 3.3Å; C309-V311 PolarHBondContact O-N 3Å; C309-A312 WeakPolarHBondContact O-CB 3.43Å; C309-A312 PolarHBondContact O-N 3.17Å; C309-E313 WeakPolarHBondContact O-CG 3.34Å; C309-E313 PolarHBondContact O-N 2.95Å
310Q85Confident80.1Confident78 Ų7883.1 Ų83.136%0.36445%0.448SS..Hα-helixtrans-61.1-37177.9-72.7-178.6-22.900112.7R306 M314R306-Q310 WeakPolarHBondContact O-CG 3.32Å; R306-Q310 PolarHBondContact O-N 2.64Å; R306-Q310 VanDerWaalsContact O-N 3.08Å; Q310-M314 VanDerWaalsContact O-CG 3.28Å; Q310-M314 WeakPolarHBondContact O-CG 3.35Å; Q310-M314 PolarHBondContact O-N 3.05Å; Q310-M314 VanDerWaalsContact O-N 3.16Å
311V84.2Confident77.9Confident78 Ų7887.2 Ų87.247%0.47348%0.482SS..Hα-helixtrans-72.5-28.2175.2171.20000112.2E307 Q308 C309 K315E307-V311 VanDerWaalsContact O-CG2 3.3Å; E307-V311 WeakPolarHBondContact O-CG2 3.28Å; E307-V311 PolarHBondContact O-N 3.29Å; Q308-V311 PolarHBondContact O-N 2.82Å; C309-V311 VanDerWaalsContact C-N 3.3Å; C309-V311 PolarHBondContact O-N 3Å; V311-K315 WeakPolarHBondContact O-CG 3.35Å; V311-K315 PolarHBondContact O-N 3.17Å
312A82.3Confident75.7Confident50 Ų5093.5 Ų93.541%0.41351%0.51SS..Hα-helixtrans-70.1-48.2172.900000111.3Q308 C309 M314 K315 T316Q308-A312 PolarHBondContact O-N 3.39Å; C309-A312 WeakPolarHBondContact O-CB 3.43Å; C309-A312 PolarHBondContact O-N 3.17Å; A312-M314 VanDerWaalsContact C-N 3.3Å; A312-M314 PolarHBondContact O-N 2.8Å; A312-K315 PolarHBondContact O-N 2.92Å; A312-T316 PolarHBondContact O-N 3.12Å; A312-T316 PolarHBondContact O-OG1 2.93Å
313E81.1Confident73.4Confident126 Ų12696.8 Ų96.859%0.58953%0.528SS*.Hα-helixtrans-55.5-42.9175.9-69.8166.3178.100112.1C309 K315 S317C309-E313 WeakPolarHBondContact O-CG 3.34Å; C309-E313 PolarHBondContact O-N 2.95Å; E313-K315 VanDerWaalsContact C-N 3.32Å; E313-K315 PolarHBondContact O-N 2.83Å; E313-S317 PolarHBondContact O-N 2.88Å; E313-S317 VanDerWaalsContact O-N 3.11Å; E313-S317 PolarHBondContact O-OG 3.01Å
314M80.1Confident71.3Confident127 Ų127101.2 Ų101.263%0.62656%0.555SS**Hα-helixtrans-66.6-27.5176.8-71.7177.1-162.800114Q310 A312 S317 A318Q310-M314 VanDerWaalsContact O-CG 3.28Å; Q310-M314 WeakPolarHBondContact O-CG 3.35Å; Q310-M314 PolarHBondContact O-N 3.05Å; Q310-M314 VanDerWaalsContact O-N 3.16Å; A312-M314 VanDerWaalsContact C-N 3.3Å; A312-M314 PolarHBondContact O-N 2.8Å; M314-S317 WeakPolarHBondContact CA-OG 3.15Å; M314-S317 PolarHBondContact O-OG 2.94Å; M314-A318 WeakPolarHBondContact O-CB 3.49Å; M314-A318 PolarHBondContact O-N 2.87Å
315K80Confident69.3Low133 Ų133104.1 Ų104.158%0.57858%0.584SS**Hα-helixtrans-77.9-47.6175.9-73.9173.3-180-1780111V311 A312 E313 S317 A318 D319V311-K315 WeakPolarHBondContact O-CG 3.35Å; V311-K315 PolarHBondContact O-N 3.17Å; A312-K315 PolarHBondContact O-N 2.92Å; E313-K315 VanDerWaalsContact C-N 3.32Å; E313-K315 PolarHBondContact O-N 2.83Å; K315-S317 PolarHBondContact O-N 3.27Å; K315-A318 PolarHBondContact O-N 3.46Å; K315-D319 PolarHBondContact O-N 2.54Å
316T76.3Confident67.2Low117 Ų117105 Ų10572%0.71860%0.595SS**Hα-helixtrans-58.4-32.6177.4-50.30000112.3A312A312-T316 PolarHBondContact O-N 3.12Å; A312-T316 PolarHBondContact O-OG1 2.93Å
317S65.1Low64.9Low83 Ų83107.3 Ų107.358%0.5861%0.612SS**THydrogen-bonded Turntrans-86.6-9.7175.951.70000115.1E313 M314 K315 P320E313-S317 PolarHBondContact O-N 2.88Å; E313-S317 VanDerWaalsContact O-N 3.11Å; E313-S317 PolarHBondContact O-OG 3.01Å; M314-S317 WeakPolarHBondContact CA-OG 3.15Å; M314-S317 PolarHBondContact O-OG 2.94Å; K315-S317 PolarHBondContact O-N 3.27Å; S317-P320 WeakPolarHBondContact O-CD 3.37Å
318A62.1Low62.7Low72 Ų72114.5 Ų114.560%0.59564%0.637SS**THydrogen-bonded Turntrans-95.6-15177.900000114.2M314 K315 P320M314-A318 WeakPolarHBondContact O-CB 3.49Å; M314-A318 PolarHBondContact O-N 2.87Å; K315-A318 PolarHBondContact O-N 3.46Å; A318-P320 VanDerWaalsContact O-CD 3.22Å; A318-P320 WeakPolarHBondContact O-CD 3.47Å
319D56.6Low60.6Low138 Ų138116.5 Ų116.574%0.73866%0.655SS**  trans-101.537.4175.8-68.9-34.8000115.9K315 A321K315-D319 PolarHBondContact O-N 2.54Å; D319-A321 VanDerWaalsContact C-N 3.27Å; D319-A321 PolarHBondContact O-N 3.31Å; D319-A321 VanDerWaalsContact O-N 3.12Å
320P46.6Very low58.4Low109 Ų109116.4 Ų116.471%0.70867%0.667SS**  trans-86.341.1179.739.7-37.9000113.6S317 A318S317-P320 WeakPolarHBondContact O-CD 3.37Å; A318-P320 VanDerWaalsContact O-CD 3.22Å; A318-P320 WeakPolarHBondContact O-CD 3.47Å
321A45.2Very low56.1Low86 Ų86121.7 Ų121.771%0.71170%0.697SS**  trans-174.493.7166.900000114.3D319D319-A321 VanDerWaalsContact C-N 3.27Å; D319-A321 PolarHBondContact O-N 3.31Å; D319-A321 VanDerWaalsContact O-N 3.12Å
322Q43.9Very low53.9Low181 Ų181121.1 Ų121.185%0.84671%0.707SS**  trans-168.648.8138.8-155.29937.700113.3P324Q322-P324 VanDerWaalsContact O-CD 3.24Å; Q322-P324 WeakPolarHBondContact O-CD 3.46Å
323F40.5Very low51.6Low216 Ų216123.9 Ų123.995%0.94773%0.729SS**  trans-87.3109.4157.6-95.1-82000108.5G325F323-G325 PolarHBondContact O-N 3.43Å; F323-G325 VanDerWaalsContact O-N 3.13Å
324P45.5Very low49.4Very low113 Ų113123.6 Ų123.673%0.73474%0.739SS**  trans-70.5107.6169.829.1-31.6000108.3Q322Q322-P324 VanDerWaalsContact O-CD 3.24Å; Q322-P324 WeakPolarHBondContact O-CD 3.46Å
325G45.9Very low47.1Very low60 Ų60124 Ų12462%0.61975%0.748SS**  trans-59.9145.7171.600000110.9F323 Q327F323-G325 PolarHBondContact O-N 3.43Å; F323-G325 VanDerWaalsContact O-N 3.13Å; G325-Q327 PolarHBondContact O-N 3.05Å
326P43.7Very low44.7Very low101 Ų101124.2 Ų124.266%0.65675%0.746SS**  trans-64.5121.8-178.323.6-30.4000110.8W328P326-W328 VanDerWaalsContact O-CD1 3.29Å; P326-W328 PolarHBondContact O-N 3.07Å
327Q40.2Very low42.7Very low185 Ų185125 Ų12586%0.86475%0.751SS**  trans-83.3100.7-179.8-150.1175.619.700109G325 T329G325-Q327 PolarHBondContact O-N 3.05Å; Q327-T329 PolarHBondContact O-N 3.19Å
328W42Very low41Very low194 Ų194127.3 Ų127.374%0.73576%0.757SS**  trans-81.3114.1-179.2-68.493.1000111.5P326P326-W328 VanDerWaalsContact O-CD1 3.29Å; P326-W328 PolarHBondContact O-N 3.07Å
329T41.1Very low39.5Very low126 Ų126133.1 Ų133.177%0.77377%0.772SS**  trans-130.3118.3170.654.20000110.9Q327Q327-T329 PolarHBondContact O-N 3.19Å
330G39.9Very low38.3Very low72 Ų72130.1 Ų130.174%0.74277%0.773SS**SBendtrans74.1112.2157.700000118G332G330-G332 PolarHBondContact O-N 2.84Å
331L35.9Very low37.3Very low189 Ų189133 Ų13399%0.9978%0.783SS**SBendtrans11.4100.9158.7-69.987.6000118.2
332G38.1Very low36.5Very low66 Ų66137.6 Ų137.668%0.6879%0.789SS**  trans168.6108.8164.600000112G330G330-G332 PolarHBondContact O-N 2.84Å
333A33.7Very low35.6Very low107 Ų107138.1 Ų138.188%0.88479%0.789SS**  trans-82.4147.5178.800000112
334P34.7Very low35Very low121 Ų121133 Ų13379%0.78678%0.775SS**  trans-130.7160.1142.628.5-12.1000114
335T32.5Very low34.1Very low136 Ų136133.2 Ų133.283%0.83477%0.769SS**  trans-82.5157-168.744.60000115.2
336Y29.2Very low33.2Very low136 Ų136139.8 Ų139.853%0.53378%0.781SS.*  trans-100.2144.7169.6-157-79.8000110.4S375 S376Y336-S375 WeakPolarHBondContact CD2-OG 3.45Å; Y336-S375 WeakPolarHBondContact CE2-OG 3.47Å; Y336-S376 WeakPolarHBondContact CE2-O 3.18Å; Y336-S376 PolarHBondContact OH-O 3.13Å
337V34.2Very low32.4Very low133 Ų133143.8 Ų143.881%0.80679%0.788SS**  trans-134.5139.4171179.30000108.9
338D30.5Very low31.9Very low132 Ų132140.9 Ų140.971%0.70678%0.783SS**  trans-116.4145.1-168.5172.241.7000111.5
339Q30Very low31.1Very low195 Ų195141.1 Ų141.191%0.91178%0.784SS**  trans175.1129.6155.9-107.9173.6-4.400113.1
340G30.5Very low30.5Very low74 Ų74143.8 Ų143.876%0.76379%0.79SS**  trans129.896.4148.500000117.3
341D27.3Very low30.1Very low171 Ų171146.9 Ų146.991%0.91479%0.785SS**  trans-57.2136.2172.9-54-76.1000115
342E28.2Very low29.7Very low181 Ų181143.2 Ų143.285%0.84678%0.775SS**  -160137.4127.9-133.7-178.3176.300113.5V344E342-V344 HydrophobicContact CB-CG2 4.48Å; E342-V344 PolarHBondContact O-N 3.02Å
343F24.6Very low29.3Very low193 Ų193148.5 Ų148.585%0.84678%0.782SS**  trans-9490-174.7-167.9-87.4000110.6
344V26.8Very low29Very low108 Ų108152 Ų15266%0.65578%0.78SS**  trans-102.9108.2-175.2-172.90000112.4E342 F346E342-V344 HydrophobicContact CB-CG2 4.48Å; E342-V344 PolarHBondContact O-N 3.02Å; V344-F346 PolarHBondContact O-N 3.36Å
345I27.3Very low28.7Very low118 Ų118152 Ų15261%0.60578%0.778SS**  trans-62.1129.3168-63.7170000109F347I345-F347 HydrophobicContact CG2-CD2 3.96Å; I345-F347 HydrophobicContact CG2-CE2 4.29Å; I345-F347 PolarHBondContact O-N 2.93Å
346F26.4Very low28.4Very low198 Ų198155.6 Ų155.687%0.86878%0.778SS**  trans-69.372175.5-87.7-89.6000112.7V344 T348V344-F346 PolarHBondContact O-N 3.36Å; F346-T348 PolarHBondContact O-N 2.88Å
347F27.1Very low28.7Very low185 Ų185155.1 Ų155.181%0.81179%0.792SS**  trans-78.1105.4150.3-90.7-85.1000108I345 R349I345-F347 HydrophobicContact CG2-CD2 3.96Å; I345-F347 HydrophobicContact CG2-CE2 4.29Å; I345-F347 PolarHBondContact O-N 2.93Å; F347-R349 PolarHBondContact O-N 2.85Å
348T29.1Very low28.7Very low124 Ų124158.4 Ų158.476%0.76180%0.795SS**  trans-66.987.8166.636.60000109.5F346 M350F346-T348 PolarHBondContact O-N 2.88Å; T348-M350 PolarHBondContact O-N 3.16Å
349R26.3Very low28.7Very low199 Ų199164.2 Ų164.275%0.75181%0.807SS**  trans-56.197.2165.9-179.7177.9176.3124.7-5.5108.4F347 E351F347-R349 PolarHBondContact O-N 2.85Å; R349-E351 HydrophobicContact CG-CG 4.34Å; R349-E351 IonicContact CZ-OE1 2.63Å; R349-E351 IonicContact NE-OE1 3.81Å; R349-E351 PolarHBondContact NE-OE1 3.34Å; R349-E351 IonicContact NH2-OE1 3.48Å; R349-E351 PolarHBondContact NH2-OE1 3.43Å; R349-E351 PolarHBondContact O-N 3.42Å
350M28.2Very low28.7Very low182 Ų182166.8 Ų166.890%0.89781%0.808SS**  trans-68.284.9167.9-81.8-167.8167.300108.7T348 S352T348-M350 PolarHBondContact O-N 3.16Å; M350-S352 PolarHBondContact O-N 3.03Å
351E30.5Very low28.7Very low137 Ų137175.5 Ų175.564%0.6482%0.818SS**  trans-69.8116.6161.7-98.9166.3-172.100108.9R349 E353R349-E351 HydrophobicContact CG-CG 4.34Å; R349-E351 IonicContact CZ-OE1 2.63Å; R349-E351 IonicContact NE-OE1 3.81Å; R349-E351 PolarHBondContact NE-OE1 3.34Å; R349-E351 IonicContact NH2-OE1 3.48Å; R349-E351 PolarHBondContact NH2-OE1 3.43Å; R349-E351 PolarHBondContact O-N 3.42Å; E351-E353 PolarHBondContact O-N 3.43Å
352S28.1Very low28.8Very low112 Ų112178.2 Ų178.278%0.78382%0.816SS**  trans-81.679.9-173.357.30000111.1M350 E354M350-S352 PolarHBondContact O-N 3.03Å; S352-E354 PolarHBondContact O-N 3.2Å
353E29.5Very low28.8Very low177 Ų177178.5 Ų178.583%0.82781%0.814SS**  trans-79.197.6160.7-74.8-157.7133.600110.2E351 T355E351-E353 PolarHBondContact O-N 3.43Å; E353-T355 PolarHBondContact O-N 3.34Å
354E28.8Very low29.1Very low180 Ų180178.8 Ų178.884%0.84182%0.818SS**  trans-6499.8171.2-66.2-172138.400111S352S352-E354 PolarHBondContact O-N 3.2Å
355T28.2Very low29Very low122 Ų122183.5 Ų183.575%0.74883%0.83SS**  trans-12998.5170.4-59.80000112.6E353E353-T355 PolarHBondContact O-N 3.34Å
356Y26Very low29.2Very low210 Ų210183 Ų18382%0.82484%0.843SS**  trans-60.3129.2170.3-83.8-94.8000112.2K358Y356-K358 PolarHBondContact O-N 3.31Å; Y356-K358 VanDerWaalsContact O-N 3.09Å
357P35.3Very low29.1Very low127 Ų127178.8 Ų178.883%0.82584%0.838SS**  trans-77.898.9176.730.1-33.3000111.9
358K33.1Very low29.2Very low202 Ų202177 Ų17788%0.87884%0.843SS**  trans-68144.1170.3-77.8180178.8170.60112Y356Y356-K358 PolarHBondContact O-N 3.31Å; Y356-K358 VanDerWaalsContact O-N 3.09Å
359R31.7Very low29Very low254 Ų254176 Ų17696%0.95884%0.837SS**  trans-51.9132.2178.9-99.6173.8166172.8-4.9113.4
360R28.7Very low29Very low248 Ų248173.4 Ų173.494%0.93684%0.842SS**  trans-27.7125.7170.4-73.9175.2164.1175.3-5.5116.1
361R32.2Very low29Very low257 Ų257171.8 Ų171.897%0.9783%0.832SS**  trans-140.5164.6142.5-97.7-171.9175.8-170.8-0.6111.1
362R29.1Very low28.9Very low228 Ų228174.3 Ų174.386%0.8684%0.841SS**  trans-81.1148-157.9-81171.2161.8169-6.8115.6
363K28Very low29.1Very low188 Ų188174.9 Ų174.982%0.81784%0.843SS**  trans47.1121.5142.3-63.7-178.2175.3-171.30119.1
364Q30.7Very low29.1Very low198 Ų198172.8 Ų172.893%0.92584%0.842SS**  -165.7165.795.8-131154.7-34.900112.1
365K25.1Very low29.2Very low208 Ų208168.2 Ų168.290%0.90483%0.83SS**  trans-91.5146.1-176-67.1176.3171.3-1760112
366A30.2Very low29.3Very low107 Ų107165.8 Ų165.888%0.88482%0.818SS**  trans-153.4146142.900000108.8
367S25.4Very low29.5Very low109 Ų109163.9 Ų163.976%0.76281%0.811SS**  trans-129.7139.8-171.651.60000111.1
368V28Very low29.3Very low149 Ų149162.6 Ų162.690%0.90381%0.811SS**  trans-138.1138.9157.6-178.20000108.4
369T25Very low29.2Very low103 Ų103156.2 Ų156.263%0.63280%0.802SS**  trans-123.9137.8-173.6-59.40000109.3Q371T369-Q371 HydrophobicContact CG2-CG 4.26Å
370V28.1Very low29.2Very low143 Ų143151.5 Ų151.587%0.86779%0.794SS**  trans-142.4145.5149.4-171.40000108
371Q26.8Very low29.2Very low149 Ų149146.7 Ų146.770%0.69679%0.787SS**  trans-104.6146-165.3-72.3152.5-108.600114T369T369-Q371 HydrophobicContact CG2-CG 4.26Å
372F29.3Very low29.1Very low189 Ų189144.4 Ų144.483%0.82979%0.788SS**  11.7172.6119.9-47.7-75.4000120.1
373P31.2Very low29.2Very low124 Ų124140.7 Ų140.781%0.80578%0.78SS**  cis-139.8-178.18.623.93.7000118.4
374T29.9Very low29.3Very low134 Ų134140.3 Ų140.382%0.82278%0.781SS**  trans-74.9174.6175.151.50000116.8
375S30.5Very low29.1Very low83 Ų83138 Ų13858%0.5878%0.775SS**  trans-131.1-152.5149.6-157.90000112.4Y336Y336-S375 WeakPolarHBondContact CD2-OG 3.45Å; Y336-S375 WeakPolarHBondContact CE2-OG 3.47Å
376S30.2Very low29.3Very low72 Ų72131.3 Ų131.350%0.50377%0.765SS.*  trans-162.2-170.5-153.6-166.80000114.6Y336Y336-S376 WeakPolarHBondContact CE2-O 3.18Å; Y336-S376 PolarHBondContact OH-O 3.13Å
377Y30.8Very low29.2Very low170 Ų170133.7 Ų133.767%0.66776%0.762SS**  trans82.1111172.5-61.2-81.5000116.6
378A31.6Very low29.5Very low100 Ų100134.7 Ų134.783%0.82676%0.759SS**  cis89.3132.318.200000117
379G30.4Very low29.6Very low67 Ų67135.6 Ų135.669%0.69176%0.755SS**  trans176.1118.7167.900000115.7
380I31Very low29.8Very low155 Ų155139.1 Ų139.180%0.79576%0.764SS**  trans68.7103.2144-51.6168.1000115.6
381D29Very low29.8Very low147 Ų147139 Ų13979%0.78676%0.758SS**  76.7113.460.9-61.5-40.1000114.7
382E31.1Very low29.8Very low210 Ų210139 Ų13998%0.98176%0.761SS**  trans-164.1173.3133.3-126.4179.8167.100113
383E30.1Very low29.9Very low150 Ų150133.9 Ų133.970%0.70176%0.761SS**  trans-118.3151.8-148.9-173.2-164.713300113
384Q31.2Very low29.7Very low180 Ų180133.9 Ų133.984%0.84176%0.759SS**  176.3160.3127.6-95.9175.810.900117.1
385N26.9Very low29.8Very low150 Ų150134.9 Ų134.980%0.80276%0.757SS**  trans-88166.5-162.4-61.6-73.5000115.8
386G29.4Very low30Very low66 Ų66139.9 Ų139.968%0.6877%0.768SS**  trans178.171.5166.600000121
387L27Very low29.8Very low157 Ų157140.1 Ų140.182%0.82278%0.782SS**  trans61.7156.2143.4-81.5106000125.5
388D31.5Very low30Very low131 Ų131144.1 Ų144.170%0.70180%0.796SS**  trans73.9143157.5-60.2-24.5000121.4
389M30.1Very low29.9Very low167 Ų167151.3 Ų151.382%0.82380%0.802SS**  cis-163.1155.9-20.8179.5169-79.200109.2
390E29.7Very low29.9Very low177 Ų177159.9 Ų159.983%0.82781%0.813SS**  trans-61.3175.3176.4-69.8-176.9119.800114.7
391L27.2Very low30Very low141 Ų141162.6 Ų162.674%0.73882%0.819SS**  cis166.4152.5-27.4-168.678.2000105.6
392I27.2Very low30Very low150 Ų150167.3 Ų167.377%0.76983%0.826SS**  trans72.2123.5167-43-169.9000118.8
393G32.6Very low30Very low80 Ų80165.4 Ų165.483%0.82582%0.822SS**  trans-166.957.6169.900000114.2
394T26.3Very low30.1Very low125 Ų125167.6 Ų167.677%0.76783%0.829SS**  trans-72.4130.5176.252.60000112.6
395M31.6Very low30.2Very low155 Ų155166.9 Ų166.976%0.76482%0.824SS**  trans-168.6143.3147.6-94.4-127.6170.300115.9
396K34.4Very low30.2Very low187 Ų187171.4 Ų171.481%0.81383%0.829SS**  trans64.6109148.9-70.5163.9175.7152.50119.9
397G27.8Very low30.4Very low78 Ų78176.2 Ų176.280%0.80484%0.838SS**  trans-91.6174.616200000114.2
398R33.4Very low30.7Very low254 Ų254176.3 Ų176.396%0.95883%0.833SS**  trans-153.2117.9164.4-123.1173.2-178.7173.10.1112.2
399R29.2Very low30.7Very low251 Ų251175.5 Ų175.595%0.94784%0.837SS**  trans-80.1125.1168-81.3176.2166.9175.2-3.7110.2
400R31.5Very low31.1Very low247 Ų247173.3 Ų173.393%0.93282%0.823SS**  trans-176.6133136.7-114.3176.5171.5173.8-2.8113.3
401K32.6Very low31.4Very low211 Ų211172.3 Ų172.392%0.91782%0.818SS**  trans131.177157-74.6179.8178.2-1770112.8
402R29.6Very low31.7Very low247 Ų247170.8 Ų170.893%0.93282%0.818SS**  trans-122.190155.8-80.7-171.1-178.1-179.90.4108.1
403L31.2Very low32.3Very low170 Ų170167.3 Ų167.389%0.8980%0.801SS**  trans-168.188.3164.9-138.193.5000108.3
404F32.6Very low32.7Very low196 Ų196171.5 Ų171.586%0.8680%0.799SS**SBendtrans-170.8-23.6154.2-131-94.4000115.6
405F31.9Very low33.5Very low165 Ų165176.6 Ų176.672%0.72480%0.804SS**  trans-111.589178.7-90.1-96.1000112.4
406R27.1Very low34.2Very low244 Ų244171.9 Ų171.992%0.92178%0.781SS**  trans-131.365.6163.9-86.7-169.7172-178.6-2.7109.6
407L33.8Very low35.2Very low167 Ų167168.6 Ų168.687%0.87478%0.779SS**SBendtrans-155.75.9170.6-112.9152.7000114.7
408F34.1Very low37.1Very low160 Ų160165.8 Ų165.870%0.70275%0.747SS**SBendtrans-115.1135165.2-93.1-93.1000109.7F410F408-F410 VanDerWaalsContact C-N 3.28Å; F408-F410 HydrophobicContact CB-CD2 3.96Å; F408-F410 HydrophobicContact CB-CE2 3.89Å; F408-F410 PolarHBondContact O-N 3.48Å
409S30.1Very low39.2Very low113 Ų113162.2 Ų162.279%0.7973%0.734SS**  trans-74.380.1178.2-167.90000110.5H411S409-H411 PolarHBondContact O-N 2.99Å; S409-H411 VanDerWaalsContact O-N 3.08Å
410F39.4Very low41.6Very low122 Ų122150.3 Ų150.354%0.53569%0.689SS.*G310 helixtrans-68.91.4179.3-93.8-84.6000114.4F408 C412 L413F408-F410 VanDerWaalsContact C-N 3.28Å; F408-F410 HydrophobicContact CB-CD2 3.96Å; F408-F410 HydrophobicContact CB-CE2 3.89Å; F408-F410 PolarHBondContact O-N 3.48Å; F410-C412 PolarHBondContact O-N 3.32Å; F410-C412 VanDerWaalsContact O-N 3.08Å; F410-L413 HydrophobicContact CD1-CB 4.13Å; F410-L413 HydrophobicContact CD1-CD2 4.04Å; F410-L413 HydrophobicContact CD1-CG 4.47Å; F410-L413 HydrophobicContact CE1-CD2 4.04Å; F410-L413 WeakPolarHBondContact O-CB 3.32Å; F410-L413 PolarHBondContact O-N 3Å
411H36.4Very low43.9Very low156 Ų156140.4 Ų140.472%0.72266%0.655SS**G310 helixtrans-67.3-13.6-172.4-145.2-26.8000114.2S409S409-H411 PolarHBondContact O-N 2.99Å; S409-H411 VanDerWaalsContact O-N 3.08Å
412C33.9Very low46.3Very low108 Ų108136 Ų13673%0.7363%0.632SS**G310 helixtrans-87.9-13.5174.1-157.20000113.8F410 E414F410-C412 PolarHBondContact O-N 3.32Å; F410-C412 VanDerWaalsContact O-N 3.08Å; C412-E414 VanDerWaalsContact C-N 3.34Å; C412-E414 PolarHBondContact O-N 3Å
413L38.3Very low48.9Very low78 Ų78127.3 Ų127.341%0.40860%0.604SS.*G310 helixtrans-80-13.6-173.9-143.592.3000113.9F410 R415F410-L413 HydrophobicContact CD1-CB 4.13Å; F410-L413 HydrophobicContact CD1-CD2 4.04Å; F410-L413 HydrophobicContact CD1-CG 4.47Å; F410-L413 HydrophobicContact CE1-CD2 4.04Å; F410-L413 WeakPolarHBondContact O-CB 3.32Å; F410-L413 PolarHBondContact O-N 3Å; L413-R415 VanDerWaalsContact C-N 3.34Å; L413-R415 PolarHBondContact O-N 2.84Å
414E41.6Very low51.5Low168 Ų168119.4 Ų119.479%0.78556%0.562SS**G310 helixtrans-85.14.2-177.5-86.4-179.3153.600114.6C412C412-E414 VanDerWaalsContact C-N 3.34Å; C412-E414 PolarHBondContact O-N 3Å
415R43.5Very low54.1Low232 Ų232112.2 Ų112.288%0.87553%0.533SS*.G310 helixtrans-122.814.4-168.8-133.9177.2-139.4171.67.1116.6L413L413-R415 VanDerWaalsContact C-N 3.34Å; L413-R415 PolarHBondContact O-N 2.84Å
416L45.8Very low56.8Low55 Ų55108.1 Ų108.129%0.28852%0.521SS..  trans-97.1123.4179.7-75.4164.2000111.7S418 D421 N425L416-S418 PolarHBondContact O-N 3.26Å; L416-D421 HydrophobicContact CD2-CB 4.4Å; L416-N425 HydrophobicContact CD1-CB 4.21Å; L416-N425 WeakPolarHBondContact CD2-ND2 3.41Å
417P56.2Low59.8Low119 Ų11997 Ų9777%0.77348%0.481SS*.SBendtrans-9639-165.840.3-38.4000114.9
418S67.9Low62.6Low19 Ų1991.5 Ų91.513%0.13345%0.448CS..SBendtrans-166.2163.6165.768.20000109.9E307 L416 D421E307-S418 WeakPolarHBondContact OE2-CA 3.32Å; E307-S418 VanDerWaalsContact OE2-CB 3.24Å; E307-S418 WeakPolarHBondContact OE2-CB 3.45Å; L416-S418 PolarHBondContact O-N 3.26Å; S418-D421 VanDerWaalsContact OG-CB 3.31Å; S418-D421 WeakPolarHBondContact OG-CB 3.35Å; S418-D421 PolarHBondContact OG-N 3.21Å; S418-D421 PolarHBondContact OG-OD1 3.4Å; S418-D421 PolarHBondContact OG-OD2 2.94Å
419R76.1Confident65.3Low179 Ų17992.2 Ų92.268%0.67545%0.448SS*.Hα-helixtrans-73.6-33.5167.2-70.6170-178.8-161.11.4111.1E307 R422 I423E307-R419 WeakPolarHBondContact OE1-CB 3.37Å; E307-R419 VanDerWaalsContact OE1-CD 3.25Å; E307-R419 WeakPolarHBondContact OE1-CD 3.47Å; E307-R419 WeakPolarHBondContact OE1-CG 3.44Å; E307-R419 PolarHBondContact OE1-N 2.97Å; E307-R419 PolarHBondContact OE2-N 3.47Å; R419-R422 WeakPolarHBondContact O-CB 3.45Å; R419-R422 PolarHBondContact O-N 3.47Å; R419-I423 PolarHBondContact O-N 3.47Å
420A79.2Confident68.2Low0 Ų091.1 Ų91.10%043%0.433CS..Hα-helixtrans-56.8-55.2177.700000111.9W242 V300 R422 I423 D424W242-A420 HydrophobicContact CD2-CB 4.27Å; W242-A420 HydrophobicContact CG-CB 4.33Å; W242-A420 HydrophobicContact CZ2-CB 4.34Å; V300-A420 HydrophobicContact CG1-CB 4.09Å; A420-R422 PolarHBondContact O-N 3.36Å; A420-R422 VanDerWaalsContact O-N 3.07Å; A420-I423 WeakPolarHBondContact O-CB 3.43Å; A420-I423 PolarHBondContact O-N 3.48Å; A420-D424 PolarHBondContact O-N 2.91Å
421D79.7Confident70.8Confident40 Ų4085.9 Ų85.921%0.21441%0.41CS..Hα-helixtrans-60.6-26.3-179.5-54.7-33.4000112.1W242 L416 S418 N425W242-D421 VanDerWaalsContact CD1-OD1 3.28Å; W242-D421 PolarHBondContact NE1-OD1 3.37Å; L416-D421 HydrophobicContact CD2-CB 4.4Å; S418-D421 VanDerWaalsContact OG-CB 3.31Å; S418-D421 WeakPolarHBondContact OG-CB 3.35Å; S418-D421 PolarHBondContact OG-N 3.21Å; S418-D421 PolarHBondContact OG-OD1 3.4Å; S418-D421 PolarHBondContact OG-OD2 2.94Å; D421-N425 WeakPolarHBondContact O-CB 3.31Å; D421-N425 PolarHBondContact O-N 3.11Å; D421-N425 VanDerWaalsContact O-N 3.07Å; D421-N425 PolarHBondContact O-ND2 3.15Å
422R83.4Confident73.4Confident118 Ų11879.9 Ų79.945%0.44538%0.384SS..Hα-helixtrans-72.7-35.4177.6-166.8-177.1-59.3-169.80.2112R419 A420 V426R419-R422 WeakPolarHBondContact O-CB 3.45Å; R419-R422 PolarHBondContact O-N 3.47Å; A420-R422 PolarHBondContact O-N 3.36Å; A420-R422 VanDerWaalsContact O-N 3.07Å; R422-V426 WeakPolarHBondContact O-CG2 3.44Å; R422-V426 PolarHBondContact O-N 2.83Å
423I84.4Confident76.2Confident65 Ų6579.3 Ų79.333%0.33338%0.377SS..Hα-helixtrans-66.6-52176.9-63.3164.4000108.8E296 V300 A303 R419 A420 N425 V426 S427E296-I423 HydrophobicContact CG-CG2 4.2Å; V300-I423 HydrophobicContact CG2-CB 3.91Å; V300-I423 HydrophobicContact CG2-CG2 3.55Å; A303-I423 HydrophobicContact CB-CD1 4.4Å; R419-I423 PolarHBondContact O-N 3.47Å; A420-I423 WeakPolarHBondContact O-CB 3.43Å; A420-I423 PolarHBondContact O-N 3.48Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 2.89Å; I423-V426 PolarHBondContact O-N 2.75Å; I423-S427 PolarHBondContact O-N 3.21Å; I423-S427 PolarHBondContact O-OG 3.13Å
424D85.8Confident78.9Confident4 Ų479.5 Ų79.52%0.02138%0.378CS..Hα-helixtrans-53.4-44.6175.5-76-41.8000112.6R248 A420 V426 S427 R428R248-D424 IonicContact CZ-OD1 3.26Å; R248-D424 VanDerWaalsContact CZ-OD1 3.26Å; R248-D424 IonicContact CZ-OD2 3.68Å; R248-D424 IonicContact NH1-OD1 2.72Å; R248-D424 PolarHBondContact NH1-OD1 2.94Å; R248-D424 IonicContact NH1-OD2 2.74Å; R248-D424 IonicContact NH2-OD1 2.96Å; R248-D424 PolarHBondContact NH2-OD1 3.27Å; R248-D424 IonicContact NH2-OD2 2.77Å; R248-D424 PolarHBondContact NH2-OD2 3.49Å; A420-D424 PolarHBondContact O-N 2.91Å; D424-V426 VanDerWaalsContact C-N 3.26Å; D424-V426 PolarHBondContact O-N 2.94Å; D424-S427 WeakPolarHBondContact CA-OG 3.4Å; D424-S427 PolarHBondContact O-N 3.33Å; D424-S427 PolarHBondContact O-OG 3.43Å; D424-R428 WeakPolarHBondContact O-CG 3.07Å; D424-R428 PolarHBondContact O-N 2.55Å
425N87.1Confident81.5Confident44 Ų4473 Ų7324%0.23535%0.348CS..Hα-helixtrans-69.2-22.8-179.8-81.6-62.9000113.6L416 D421 I423 R428 Y429L416-N425 HydrophobicContact CD1-CB 4.21Å; L416-N425 WeakPolarHBondContact CD2-ND2 3.41Å; D421-N425 WeakPolarHBondContact O-CB 3.31Å; D421-N425 PolarHBondContact O-N 3.11Å; D421-N425 VanDerWaalsContact O-N 3.07Å; D421-N425 PolarHBondContact O-ND2 3.15Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 2.89Å; N425-R428 PolarHBondContact OD1-NH1 3.4Å; N425-Y429 VanDerWaalsContact O-CD2 3.26Å; N425-Y429 WeakPolarHBondContact O-CD2 3.43Å
426V89.4Confident83.8Confident79 Ų7965.4 Ų65.448%0.47933%0.329SS..Hα-helixtrans-83.7-43.3173172.20000110.6R422 I423 D424 R428 Y429 L430R422-V426 WeakPolarHBondContact O-CG2 3.44Å; R422-V426 PolarHBondContact O-N 2.83Å; I423-V426 PolarHBondContact O-N 2.75Å; D424-V426 VanDerWaalsContact C-N 3.26Å; D424-V426 PolarHBondContact O-N 2.94Å; V426-R428 VanDerWaalsContact C-N 3.31Å; V426-R428 PolarHBondContact O-N 3.23Å; V426-Y429 PolarHBondContact O-N 3.43Å; V426-L430 WeakPolarHBondContact O-CB 3.49Å; V426-L430 PolarHBondContact O-N 2.76Å
427S90Very high86.2Confident11 Ų1165.6 Ų65.68%0.07734%0.335CS..Hα-helixtrans-61.8-37179.859.30000112.4Y238 E296 I423 D424 Y429 L430 F431Y238-S427 VanDerWaalsContact CD1-OG 3.28Å; Y238-S427 WeakPolarHBondContact CD1-OG 3.04Å; E296-S427 WeakPolarHBondContact OE1-CB 3.39Å; E296-S427 PolarHBondContact OE1-OG 3.05Å; I423-S427 PolarHBondContact O-N 3.21Å; I423-S427 PolarHBondContact O-OG 3.13Å; D424-S427 WeakPolarHBondContact CA-OG 3.4Å; D424-S427 PolarHBondContact O-N 3.33Å; D424-S427 PolarHBondContact O-OG 3.43Å; S427-Y429 PolarHBondContact O-N 3.21Å; S427-Y429 VanDerWaalsContact O-N 3.13Å; S427-L430 PolarHBondContact O-N 3.21Å; S427-F431 VanDerWaalsContact O-CB 3.26Å; S427-F431 WeakPolarHBondContact O-CB 3.35Å; S427-F431 PolarHBondContact O-N 2.89Å
428R91.6Very high88Confident52 Ų5262 Ų6220%0.19631%0.307CS..Hα-helixtrans-46.9-40.3171.9-79.7169.7-164.3179.5-6.4114.4W235 Y238 D424 N425 V426 P432W235-R428 PolarHBondContact NE1-O 3.18Å; Y238-R428 VanDerWaalsContact O-CZ 3.22Å; Y238-R428 PolarHBondContact O-NE 3.14Å; Y238-R428 PolarHBondContact O-NH2 3.07Å; D424-R428 WeakPolarHBondContact O-CG 3.07Å; D424-R428 PolarHBondContact O-N 2.55Å; N425-R428 PolarHBondContact OD1-NH1 3.4Å; V426-R428 VanDerWaalsContact C-N 3.31Å; V426-R428 PolarHBondContact O-N 3.23Å; R428-P432 VanDerWaalsContact O-CD 3.24Å; R428-P432 WeakPolarHBondContact O-CD 3.38Å; R428-P432 WeakPolarHBondContact O-CG 3.42Å
429Y90.9Very high89.3Confident174 Ų17462.6 Ų62.668%0.68231%0.309SS*.Hα-helixtrans-96.3-35.9179.6-62-77.5000113N425 V426 S427 P432 V433N425-Y429 VanDerWaalsContact O-CD2 3.26Å; N425-Y429 WeakPolarHBondContact O-CD2 3.43Å; V426-Y429 PolarHBondContact O-N 3.43Å; S427-Y429 PolarHBondContact O-N 3.21Å; S427-Y429 VanDerWaalsContact O-N 3.13Å; Y429-P432 WeakPolarHBondContact O-CD 3.31Å; Y429-P432 WeakPolarHBondContact O-CG 3.37Å; Y429-V433 VanDerWaalsContact O-CG2 3.27Å; Y429-V433 WeakPolarHBondContact O-CG2 3.38Å
430L92.3Very high90.2Very high91 Ų9160 Ų6048%0.47631%0.307SS..Hα-helixtrans-67.3-42.9-177.4-177.462.5000111.9V426 S427 V433 L434V426-L430 WeakPolarHBondContact O-CB 3.49Å; V426-L430 PolarHBondContact O-N 2.76Å; S427-L430 PolarHBondContact O-N 3.21Å; L430-V433 PolarHBondContact O-N 3.1Å; L430-L434 HydrophobicContact CD1-CD1 4.04Å; L430-L434 HydrophobicContact CD1-CG 4.11Å; L430-L434 HydrophobicContact CD2-CD1 4.48Å; L430-L434 HydrophobicContact CG-CD1 3.85Å; L430-L434 HydrophobicContact CG-CG 4.33Å; L430-L434 WeakPolarHBondContact O-CG 3.36Å; L430-L434 PolarHBondContact O-N 2.68Å
431F93.2Very high90.9Very high12 Ų1264.2 Ų64.25%0.05333%0.333CS..Hα-helixtrans-57.5-55.3-178.1-173.3-85.8000113.9V231 W235 Y238 F289 S427 V433 L434 F435V231-F431 HydrophobicContact CG1-CE1 3.85Å; V231-F431 HydrophobicContact CG1-CZ 3.82Å; W235-F431 HydrophobicContact CB-CD1 3.73Å; W235-F431 HydrophobicContact CB-CE1 3.68Å; W235-F431 AromaticContact CD1-CD1 3.66Å; W235-F431 AromaticContact CG-CD1 3.81Å; W235-F431 HydrophobicContact CG-CD1 3.81Å; W235-F431 HydrophobicContact CG-CE1 4.26Å; Y238-F431 HydrophobicContact CE2-CB 3.77Å; Y238-F431 HydrophobicContact CE2-CD1 4.32Å; Y238-F431 AromaticContact CE2-CD2 3.74Å; Y238-F431 HydrophobicContact CE2-CD2 3.74Å; Y238-F431 HydrophobicContact CE2-CE2 4.37Å; Y238-F431 AromaticContact CE2-CG 3.69Å; Y238-F431 HydrophobicContact CE2-CG 3.69Å; Y238-F431 AromaticContact CZ-CD2 3.9Å; Y238-F431 WeakPolarHBondContact OH-CD2 3.32Å; F289-F431 HydrophobicContact CB-CE2 4.1Å; F289-F431 HydrophobicContact CB-CZ 3.95Å; F289-F431 HydrophobicContact CD1-CD2 4.45Å; F289-F431 HydrophobicContact CD1-CE2 4.05Å; F289-F431 HydrophobicContact CD1-CZ 4.24Å; F289-F431 HydrophobicContact CG-CZ 4.5Å; F289-F431 WeakPolarHBondContact O-CE2 3.42Å; S427-F431 VanDerWaalsContact O-CB 3.26Å; S427-F431 WeakPolarHBondContact O-CB 3.35Å; S427-F431 PolarHBondContact O-N 2.89Å; F431-V433 VanDerWaalsContact C-N 3.32Å; F431-V433 PolarHBondContact O-N 2.74Å; F431-L434 PolarHBondContact O-N 3Å; F431-F435 PolarHBondContact O-N 3.3Å
432P92Very high91.6Very high29 Ų2962.6 Ų62.619%0.18832%0.324CS..Hα-helixtrans-67-33-17927.8-37000112W235 R428 Y429 F435 C436W235-P432 HydrophobicContact CD2-CB 4.49Å; W235-P432 HydrophobicContact CH2-CB 4.31Å; W235-P432 HydrophobicContact CH2-CG 4.45Å; W235-P432 HydrophobicContact CZ2-CB 3.95Å; W235-P432 HydrophobicContact CZ2-CG 3.67Å; R428-P432 VanDerWaalsContact O-CD 3.24Å; R428-P432 WeakPolarHBondContact O-CD 3.38Å; R428-P432 WeakPolarHBondContact O-CG 3.42Å; Y429-P432 WeakPolarHBondContact O-CD 3.31Å; Y429-P432 WeakPolarHBondContact O-CG 3.37Å; P432-F435 PolarHBondContact O-N 3.36Å; P432-C436 VanDerWaalsContact O-CB 3.3Å; P432-C436 WeakPolarHBondContact O-CB 3.24Å; P432-C436 PolarHBondContact O-N 2.67Å; P432-C436 PolarHBondContact O-SG 3.02Å
433V92.8Very high92.1Very high96 Ų9659.8 Ų59.858%0.58231%0.313SS*.Hα-helixtrans-63.2-44.8175.2170.70000110.9Y429 L430 F431 S437Y429-V433 VanDerWaalsContact O-CG2 3.27Å; Y429-V433 WeakPolarHBondContact O-CG2 3.38Å; L430-V433 PolarHBondContact O-N 3.1Å; F431-V433 VanDerWaalsContact C-N 3.32Å; F431-V433 PolarHBondContact O-N 2.74Å; V433-S437 WeakPolarHBondContact O-CB 3.35Å; V433-S437 PolarHBondContact O-N 3.41Å
434L94.6Very high92.5Very high83 Ų8360 Ų6044%0.43532%0.321SS..Hα-helixtrans-64.3-44.4175.6-69.5174.4000111.6F289 L430 F431 S437 F438F289-L434 HydrophobicContact CE1-CB 3.78Å; F289-L434 HydrophobicContact CZ-CB 4.27Å; L430-L434 HydrophobicContact CD1-CD1 4.04Å; L430-L434 HydrophobicContact CD1-CG 4.11Å; L430-L434 HydrophobicContact CD2-CD1 4.48Å; L430-L434 HydrophobicContact CG-CD1 3.85Å; L430-L434 HydrophobicContact CG-CG 4.33Å; L430-L434 WeakPolarHBondContact O-CG 3.36Å; L430-L434 PolarHBondContact O-N 2.68Å; F431-L434 PolarHBondContact O-N 3Å; L434-S437 PolarHBondContact O-N 2.84Å; L434-S437 PolarHBondContact O-OG 2.93Å; L434-F438 PolarHBondContact O-N 2.99Å
435F94.6Very high92.8Very high31 Ų3163.4 Ų63.414%0.13634%0.341CS..Hα-helixtrans-65-39.8178.3-175.1-113.5000112.9V231 W282 F289 F431 P432 F438 N439V231-F435 HydrophobicContact CB-CE2 4.2Å; V231-F435 HydrophobicContact CB-CZ 4.2Å; V231-F435 HydrophobicContact CG1-CD1 4.38Å; V231-F435 HydrophobicContact CG1-CD2 3.78Å; V231-F435 HydrophobicContact CG1-CE1 4.38Å; V231-F435 HydrophobicContact CG1-CE2 3.79Å; V231-F435 HydrophobicContact CG1-CG 4.09Å; V231-F435 HydrophobicContact CG1-CZ 4.09Å; V231-F435 HydrophobicContact CG2-CE2 4.21Å; V231-F435 HydrophobicContact CG2-CZ 4.49Å; W282-F435 HydrophobicContact CH2-CZ 4.48Å; F289-F435 HydrophobicContact CD1-CB 4.43Å; F289-F435 AromaticContact CD2-CD2 3.74Å; F289-F435 HydrophobicContact CD2-CD2 3.74Å; F289-F435 HydrophobicContact CD2-CE2 4.39Å; F289-F435 HydrophobicContact CE1-CB 4.14Å; F289-F435 AromaticContact CE2-CD2 3.83Å; F289-F435 HydrophobicContact CE2-CD2 3.83Å; F289-F435 HydrophobicContact CG-CD2 4.17Å; F289-F435 HydrophobicContact CZ-CB 4.24Å; F289-F435 HydrophobicContact CZ-CD2 4.31Å; F431-F435 PolarHBondContact O-N 3.3Å; P432-F435 PolarHBondContact O-N 3.36Å; F435-F438 HydrophobicContact CD2-CD1 4.36Å; F435-F438 HydrophobicContact CE2-CD1 4.32Å; F435-F438 PolarHBondContact O-N 3.13Å; F435-N439 VanDerWaalsContact CE1-ND2 3.31Å; F435-N439 WeakPolarHBondContact CE1-ND2 3.38Å; F435-N439 VanDerWaalsContact CZ-ND2 3.27Å; F435-N439 WeakPolarHBondContact CZ-ND2 3.3Å; F435-N439 PolarHBondContact O-N 3.42Å; F435-N439 PolarHBondContact O-ND2 3.22Å
436C93.7Very high92.9Very high73 Ų7363.7 Ų63.749%0.49334%0.339SS..Hα-helixtrans-62.6-41.1172-73.80000111.8P432 N439 I440P432-C436 VanDerWaalsContact O-CB 3.3Å; P432-C436 WeakPolarHBondContact O-CB 3.24Å; P432-C436 PolarHBondContact O-N 2.67Å; P432-C436 PolarHBondContact O-SG 3.02Å; C436-N439 WeakPolarHBondContact O-CB 3.31Å; C436-N439 PolarHBondContact O-N 3.07Å; C436-I440 WeakPolarHBondContact O-CG1 3.38Å; C436-I440 PolarHBondContact O-N 2.71Å
437S94.5Very high92.7Very high58 Ų5867 Ų6741%0.40634%0.343SS..Hα-helixtrans-64.5-41176.477.50000112.2V433 L434 I440 V441V433-S437 WeakPolarHBondContact O-CB 3.35Å; V433-S437 PolarHBondContact O-N 3.41Å; L434-S437 PolarHBondContact O-N 2.84Å; L434-S437 PolarHBondContact O-OG 2.93Å; S437-I440 PolarHBondContact O-N 3.16Å; S437-V441 WeakPolarHBondContact O-CG2 3.42Å; S437-V441 PolarHBondContact O-N 3.4Å
438F95.4Very high91.7Very high44 Ų4472.1 Ų72.119%0.19337%0.374CS..Hα-helixtrans-60.9-44.7173.8169.6-101.9000111.4W282 F289 L434 F435 V441 Y442W282-F438 AromaticContact CE3-CE1 3.89Å; W282-F438 HydrophobicContact CE3-CE1 3.89Å; W282-F438 HydrophobicContact CE3-CZ 4.42Å; W282-F438 HydrophobicContact CZ3-CE1 4.03Å; F289-F438 HydrophobicContact CE2-CB 3.75Å; F289-F438 AromaticContact CE2-CD1 3.94Å; F289-F438 HydrophobicContact CE2-CD1 3.94Å; F289-F438 HydrophobicContact CE2-CD2 4.4Å; F289-F438 AromaticContact CE2-CG 3.77Å; F289-F438 HydrophobicContact CE2-CG 3.77Å; F289-F438 HydrophobicContact CZ-CB 3.88Å; F289-F438 HydrophobicContact CZ-CG 4.39Å; L434-F438 PolarHBondContact O-N 2.99Å; F435-F438 HydrophobicContact CD2-CD1 4.36Å; F435-F438 HydrophobicContact CE2-CD1 4.32Å; F435-F438 PolarHBondContact O-N 3.13Å; F438-V441 PolarHBondContact O-N 3.18Å; F438-Y442 HydrophobicContact CZ-CD2 4.39Å; F438-Y442 VanDerWaalsContact O-CB 3.22Å; F438-Y442 WeakPolarHBondContact O-CB 3.37Å; F438-Y442 PolarHBondContact O-N 3.4Å
439N94.6Very high91.7Very high31 Ų3173.2 Ų73.217%0.16638%0.383CS..Hα-helixtrans-58.3-50.9175.7-90-94.8000111.8W282 F435 C436 V441 Y442 W443W282-N439 VanDerWaalsContact CH2-OD1 3.27Å; W282-N439 WeakPolarHBondContact CH2-OD1 3.47Å; W282-N439 WeakPolarHBondContact CZ3-OD1 3.43Å; F435-N439 VanDerWaalsContact CE1-ND2 3.31Å; F435-N439 WeakPolarHBondContact CE1-ND2 3.38Å; F435-N439 VanDerWaalsContact CZ-ND2 3.27Å; F435-N439 WeakPolarHBondContact CZ-ND2 3.3Å; F435-N439 PolarHBondContact O-N 3.42Å; F435-N439 PolarHBondContact O-ND2 3.22Å; C436-N439 WeakPolarHBondContact O-CB 3.31Å; C436-N439 PolarHBondContact O-N 3.07Å; N439-V441 VanDerWaalsContact C-N 3.33Å; N439-V441 PolarHBondContact O-N 3.01Å; N439-Y442 PolarHBondContact O-N 3.18Å; N439-W443 PolarHBondContact O-N 3.49Å; N439-W443 PolarHBondContact OD1-NE1 2.85Å
440I94.1Very high91.8Very high125 Ų12567.8 Ų67.864%0.64137%0.368SS*.Hα-helixtrans-57.4-47.8-179.6-68163.6000110.6C436 S437 S444C436-I440 WeakPolarHBondContact O-CG1 3.38Å; C436-I440 PolarHBondContact O-N 2.71Å; S437-I440 PolarHBondContact O-N 3.16Å; I440-S444 WeakPolarHBondContact O-CB 3.41Å; I440-S444 PolarHBondContact O-N 3.36Å; I440-S444 PolarHBondContact O-OG 2.99Å
441V95Very high91.8Very high89 Ų8966.6 Ų66.654%0.53936%0.362SS..Hα-helixtrans-62-49.7177.3173.90000110.9S437 F438 N439 W443 S444 V445S437-V441 WeakPolarHBondContact O-CG2 3.42Å; S437-V441 PolarHBondContact O-N 3.4Å; F438-V441 PolarHBondContact O-N 3.18Å; N439-V441 VanDerWaalsContact C-N 3.33Å; N439-V441 PolarHBondContact O-N 3.01Å; V441-W443 PolarHBondContact O-N 3.07Å; V441-S444 PolarHBondContact O-N 3.47Å; V441-S444 PolarHBondContact O-OG 3.36Å; V441-V445 HydrophobicContact CG1-CG2 4.48Å; V441-V445 WeakPolarHBondContact O-CG2 3.47Å; V441-V445 PolarHBondContact O-N 2.99Å; V441-V445 VanDerWaalsContact O-N 3.1Å
442Y94.8Very high91.7Very high6 Ų669.8 Ų69.82%0.02438%0.38CS..Hα-helixtrans-55.8-55.2-179-179.3-91.2000112.3M143 Y224 A278 V281 W282 F438 N439 S444 V445 Y446M143-Y442 HydrophobicContact CE-CE1 4.13Å; Y224-Y442 AromaticContact CE1-CE1 3.77Å; Y224-Y442 HydrophobicContact CE1-CE1 3.77Å; Y224-Y442 PolarHBondContact OH-OH 2.95Å; A278-Y442 VanDerWaalsContact C-OH 3.32Å; A278-Y442 VanDerWaalsContact O-CE2 3.3Å; A278-Y442 WeakPolarHBondContact O-CE2 3.48Å; A278-Y442 PolarHBondContact O-OH 3.09Å; V281-Y442 HydrophobicContact CG1-CD2 4.49Å; V281-Y442 HydrophobicContact CG1-CE2 4.48Å; W282-Y442 HydrophobicContact CB-CD2 4.43Å; W282-Y442 HydrophobicContact CB-CE1 4.44Å; W282-Y442 HydrophobicContact CB-CE2 3.67Å; W282-Y442 HydrophobicContact CD2-CE1 4.43Å; W282-Y442 AromaticContact CE3-CD1 3.55Å; W282-Y442 HydrophobicContact CE3-CD1 3.55Å; W282-Y442 HydrophobicContact CE3-CD2 4.11Å; W282-Y442 AromaticContact CE3-CE1 3.73Å; W282-Y442 HydrophobicContact CE3-CE1 3.73Å; W282-Y442 HydrophobicContact CE3-CE2 4.26Å; W282-Y442 AromaticContact CE3-CG 3.78Å; W282-Y442 HydrophobicContact CE3-CG 3.78Å; W282-Y442 AromaticContact CZ3-CD1 3.95Å; W282-Y442 HydrophobicContact CZ3-CD1 3.95Å; W282-Y442 HydrophobicContact CZ3-CE1 4.43Å; W282-Y442 HydrophobicContact CZ3-CG 4.27Å; F438-Y442 HydrophobicContact CZ-CD2 4.39Å; F438-Y442 VanDerWaalsContact O-CB 3.22Å; F438-Y442 WeakPolarHBondContact O-CB 3.37Å; F438-Y442 PolarHBondContact O-N 3.4Å; N439-Y442 PolarHBondContact O-N 3.18Å; Y442-S444 VanDerWaalsContact C-N 3.32Å; Y442-S444 PolarHBondContact O-N 3.34Å; Y442-V445 PolarHBondContact O-N 3.23Å; Y442-Y446 HydrophobicContact CD1-CD2 4.49Å; Y442-Y446 AromaticContact CD2-CD2 3.6Å; Y442-Y446 HydrophobicContact CD2-CD2 3.6Å; Y442-Y446 AromaticContact CD2-CE2 3.77Å; Y442-Y446 HydrophobicContact CD2-CE2 3.77Å; Y442-Y446 HydrophobicContact CE1-CD2 4.31Å; Y442-Y446 AromaticContact CE2-CD2 3.36Å; Y442-Y446 HydrophobicContact CE2-CD2 3.36Å; Y442-Y446 AromaticContact CE2-CE2 3.54Å; Y442-Y446 HydrophobicContact CE2-CE2 3.54Å; Y442-Y446 HydrophobicContact CE2-CG 4.36Å; Y442-Y446 HydrophobicContact CG-CD2 4.15Å; Y442-Y446 AromaticContact CZ-CD2 3.74Å; Y442-Y446 WeakPolarHBondContact O-CD2 3.38Å; Y442-Y446 PolarHBondContact O-N 3.29Å
443W93.2Very high91.7Very high59 Ų5972.3 Ų72.322%0.22339%0.392CS..Hα-helixtrans-65.5-35.9-179.3-65.4112.7000111.5M143 F216 M220 Y224 W282 N439 V441 V445 W447M143-W443 HydrophobicContact CE-CZ3 4.1Å; M143-W443 HydrophobicContact SD-CE3 4.31Å; M143-W443 HydrophobicContact SD-CZ3 3.91Å; F216-W443 HydrophobicContact CE1-CZ3 4.45Å; F216-W443 HydrophobicContact CE2-CZ3 4.35Å; F216-W443 AromaticContact CZ-CH2 3.74Å; F216-W443 HydrophobicContact CZ-CH2 3.74Å; F216-W443 AromaticContact CZ-CZ3 3.68Å; F216-W443 HydrophobicContact CZ-CZ3 3.68Å; M220-W443 HydrophobicContact CE-CZ2 4.48Å; M220-W443 HydrophobicContact SD-CH2 4.02Å; M220-W443 HydrophobicContact SD-CZ2 4.38Å; Y224-W443 AromaticContact CD1-CH2 3.47Å; Y224-W443 HydrophobicContact CD1-CH2 3.47Å; Y224-W443 VanDerWaalsContact CD1-CH2 3.47Å; Y224-W443 AromaticContact CD1-CZ2 3.57Å; Y224-W443 HydrophobicContact CD1-CZ2 3.57Å; Y224-W443 HydrophobicContact CD2-CH2 4.22Å; Y224-W443 AromaticContact CE1-CH2 3.57Å; Y224-W443 HydrophobicContact CE1-CH2 3.57Å; Y224-W443 AromaticContact CE1-CZ2 3.95Å; Y224-W443 HydrophobicContact CE1-CZ2 3.95Å; Y224-W443 HydrophobicContact CE1-CZ3 4.42Å; Y224-W443 HydrophobicContact CE2-CH2 4.31Å; Y224-W443 AromaticContact CG-CH2 3.82Å; Y224-W443 HydrophobicContact CG-CH2 3.82Å; Y224-W443 HydrophobicContact CG-CZ2 4.12Å; Y224-W443 AromaticContact CZ-CH2 4Å; W282-W443 HydrophobicContact CZ3-CZ2 4.34Å; N439-W443 PolarHBondContact O-N 3.49Å; N439-W443 PolarHBondContact OD1-NE1 2.85Å; V441-W443 PolarHBondContact O-N 3.07Å; W443-V445 VanDerWaalsContact C-N 3.27Å; W443-V445 PolarHBondContact O-N 2.95Å; W443-W447 HydrophobicContact CE3-CE3 4.34Å; W443-W447 HydrophobicContact CZ3-CE3 4.38Å; W443-W447 WeakPolarHBondContact O-CB 3.33Å; W443-W447 PolarHBondContact O-N 3.5Å
444S92.3Very high91.6Very high70 Ų7070.7 Ų70.749%0.4938%0.379SS..Hα-helixtrans-65.3-26.3176.674.20000114.5I440 V441 Y442 T448I440-S444 WeakPolarHBondContact O-CB 3.41Å; I440-S444 PolarHBondContact O-N 3.36Å; I440-S444 PolarHBondContact O-OG 2.99Å; V441-S444 PolarHBondContact O-N 3.47Å; V441-S444 PolarHBondContact O-OG 3.36Å; Y442-S444 VanDerWaalsContact C-N 3.32Å; Y442-S444 PolarHBondContact O-N 3.34Å; S444-T448 PolarHBondContact O-OG1 3.24Å
445V92.1Very high91.4Very high75 Ų7569.9 Ų69.946%0.45538%0.375SS..Hα-helixtrans-91.9-36.5-178170.20000112.1V441 Y442 W443V441-V445 HydrophobicContact CG1-CG2 4.48Å; V441-V445 WeakPolarHBondContact O-CG2 3.47Å; V441-V445 PolarHBondContact O-N 2.99Å; V441-V445 VanDerWaalsContact O-N 3.1Å; Y442-V445 PolarHBondContact O-N 3.23Å; W443-V445 VanDerWaalsContact C-N 3.27Å; W443-V445 PolarHBondContact O-N 2.95Å
446Y90.1Very high91.1Very high50 Ų5072.8 Ų72.820%0.19639%0.394CS..Hα-helixtrans-102.6-16.4-172.4-69.1-67.7000115.3A278 V281 Y442A278-Y446 HydrophobicContact CB-CD1 3.35Å; A278-Y446 HydrophobicContact CB-CD2 4.28Å; A278-Y446 HydrophobicContact CB-CE1 3.45Å; A278-Y446 VanDerWaalsContact CB-CE1 3.45Å; A278-Y446 HydrophobicContact CB-CE2 4.36Å; A278-Y446 HydrophobicContact CB-CG 3.79Å; V281-Y446 HydrophobicContact CB-CE2 4.42Å; V281-Y446 HydrophobicContact CG1-CE2 4.21Å; Y442-Y446 HydrophobicContact CD1-CD2 4.49Å; Y442-Y446 AromaticContact CD2-CD2 3.6Å; Y442-Y446 HydrophobicContact CD2-CD2 3.6Å; Y442-Y446 AromaticContact CD2-CE2 3.77Å; Y442-Y446 HydrophobicContact CD2-CE2 3.77Å; Y442-Y446 HydrophobicContact CE1-CD2 4.31Å; Y442-Y446 AromaticContact CE2-CD2 3.36Å; Y442-Y446 HydrophobicContact CE2-CD2 3.36Å; Y442-Y446 AromaticContact CE2-CE2 3.54Å; Y442-Y446 HydrophobicContact CE2-CE2 3.54Å; Y442-Y446 HydrophobicContact CE2-CG 4.36Å; Y442-Y446 HydrophobicContact CG-CD2 4.15Å; Y442-Y446 AromaticContact CZ-CD2 3.74Å; Y442-Y446 WeakPolarHBondContact O-CD2 3.38Å; Y442-Y446 PolarHBondContact O-N 3.29Å
447W84Confident90.9Very high148 Ų14872.8 Ų72.856%0.56139%0.385SS*.  trans-82.9-13.4175.8-167.2-96.5000113.5M143 F216 W443M143-W447 HydrophobicContact CG-CE3 4.44Å; M143-W447 HydrophobicContact SD-CE3 3.62Å; M143-W447 HydrophobicContact SD-CZ3 4.19Å; F216-W447 HydrophobicContact CD1-CH2 4.1Å; F216-W447 AromaticContact CD1-CZ3 3.73Å; F216-W447 HydrophobicContact CD1-CZ3 3.73Å; F216-W447 HydrophobicContact CE1-CH2 4.39Å; F216-W447 AromaticContact CE1-CZ3 3.74Å; F216-W447 HydrophobicContact CE1-CZ3 3.74Å; F216-W447 HydrophobicContact CG-CZ3 4.18Å; F216-W447 HydrophobicContact CZ-CZ3 4.21Å; W443-W447 HydrophobicContact CE3-CE3 4.34Å; W443-W447 HydrophobicContact CZ3-CE3 4.38Å; W443-W447 WeakPolarHBondContact O-CB 3.33Å; W443-W447 PolarHBondContact O-N 3.5Å
448T70.6Confident90.6Very high119 Ų11974.2 Ų74.273%0.7338%0.383SS*.  trans-96.40179.4600000112.7R140 S444R140-T448 VanDerWaalsContact NH1-C 3.31Å; R140-T448 PolarHBondContact NH1-O 3.26Å; R140-T448 PolarHBondContact NH1-OXT 3.47Å; R140-T448 PolarHBondContact NH2-OXT 3.23Å; S444-T448 PolarHBondContact O-OG1 3.24Å

Retrieved 448 of 448 residues in 428 ms (Link to these results)

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