A0A096NC79_PAPAN Loading...

diphosphoinositol-polyphosphate diphosphatase

AlphaFold DB (A0A2K6MGB6), UniProt , Accession A0A096NC79, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 181 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
1M49.7Very low69.9Low197 Ų197103.9 Ų103.997%0.9751%0.512SS*.  0129.90-166.6155.7164.200107.3
2M60.2Low72Confident125 Ų125106 Ų10662%0.61651%0.512SS*.  trans-72.9138.9179.8-74.2-167.3-173.300110.2F4 R41M2-F4 PolarHBondContact O-N 2.85Å; M2-F4 VanDerWaalsContact O-N 3.11Å; M2-R41 HydrophobicContact CE-CG 4.22Å; M2-R41 HydrophobicContact CG-CG 4.5Å; M2-R41 HydrophobicContact SD-CG 4.46Å
3K67.7Low73.7Confident47 Ų47100.8 Ų100.820%0.20449%0.488CS..  trans-58.8112.4173.8-172.9172.6177.4167.30109.8K5 E70 D110 I114K3-K5 HydrophobicContact CG-CG 4.4Å; K3-E70 IonicContact NZ-OE1 3.35Å; K3-E70 PolarHBondContact NZ-OE1 3.24Å; K3-D110 WeakPolarHBondContact CD-OD2 3.21Å; K3-D110 WeakPolarHBondContact CE-OD1 3.17Å; K3-D110 WeakPolarHBondContact CE-OD2 3.46Å; K3-D110 VanDerWaalsContact NZ-CG 3.32Å; K3-D110 IonicContact NZ-OD1 2.69Å; K3-D110 PolarHBondContact NZ-OD1 3.21Å; K3-D110 IonicContact NZ-OD2 2.76Å; K3-D110 PolarHBondContact NZ-OD2 3.23Å; K3-I114 HydrophobicContact CB-CD1 4.03Å; K3-I114 HydrophobicContact CD-CD1 4.41Å; K3-I114 HydrophobicContact CG-CD1 4.42Å
4F61.4Low75.1Confident174 Ų174112.2 Ų112.276%0.76352%0.523SS*.  trans-113.4114.6173.5-175.1-102.4000108.6M2 P6M2-F4 PolarHBondContact O-N 2.85Å; M2-F4 VanDerWaalsContact O-N 3.11Å; F4-P6 HydrophobicContact CD1-CB 4.38Å; F4-P6 HydrophobicContact CE1-CB 3.79Å; F4-P6 HydrophobicContact CE1-CG 4.43Å; F4-P6 WeakPolarHBondContact O-CD 3.3Å
5K65.3Low76.3Confident43 Ų43112.8 Ų112.819%0.18753%0.526CS..  trans-107.498174.5-72.2-161.9157-160.20108.8K3 N7 Q8 E69 E109K3-K5 HydrophobicContact CG-CG 4.4Å; K5-N7 PolarHBondContact O-N 3.37Å; K5-N7 VanDerWaalsContact O-N 3.12Å; K5-Q8 HydrophobicContact CB-CB 3.68Å; K5-Q8 HydrophobicContact CD-CB 4.36Å; K5-Q8 PolarHBondContact O-N 3.22Å; K5-E69 IonicContact NZ-OE1 2.86Å; K5-E69 PolarHBondContact NZ-OE1 3.13Å; K5-E69 VanDerWaalsContact NZ-OE1 3.13Å; K5-E69 IonicContact NZ-OE2 3.62Å; K5-E69 PolarHBondContact NZ-OE2 2.98Å; K5-E109 WeakPolarHBondContact CE-OE1 3.47Å; K5-E109 IonicContact NZ-OE1 3.72Å; K5-E109 PolarHBondContact NZ-OE1 3.04Å
6P55.8Low77.4Confident97 Ų97108.2 Ų108.263%0.6352%0.518SS*.THydrogen-bonded Turntrans-59.7-26.4-17218.3-28.8000113.8F4F4-P6 HydrophobicContact CD1-CB 4.38Å; F4-P6 HydrophobicContact CE1-CB 3.79Å; F4-P6 HydrophobicContact CE1-CG 4.43Å; F4-P6 WeakPolarHBondContact O-CD 3.3Å
7N64.1Low78.4Confident146 Ų146102.6 Ų102.678%0.78149%0.492SS*.THydrogen-bonded Turntrans-108.83.3-174.8-62.4-13.4000114.2K5 T9K5-N7 PolarHBondContact O-N 3.37Å; K5-N7 VanDerWaalsContact O-N 3.12Å; N7-T9 PolarHBondContact O-N 3.25Å
8Q73.4Confident79.3Confident49 Ų4998.7 Ų98.723%0.22947%0.472CS..  trans-8098.2-177.6-166.8174.746.700110.4K5 R10 E54 E66K5-Q8 HydrophobicContact CB-CB 3.68Å; K5-Q8 HydrophobicContact CD-CB 4.36Å; K5-Q8 PolarHBondContact O-N 3.22Å; Q8-R10 PolarHBondContact O-N 3.23Å; Q8-E54 HydrophobicContact CG-CG 4.35Å; Q8-E66 PolarHBondContact NE2-OE1 3.25Å
9T86.7Confident80.3Confident85 Ų8596.5 Ų96.552%0.52146%0.46SS..PPolyproline II helixtrans-71.4120.7175.6-61.60000109.6N7 P55N7-T9 PolarHBondContact O-N 3.25Å; T9-P55 HydrophobicContact CG2-CG 3.69Å
10R89.9Confident81.2Confident158 Ų15893.7 Ų93.760%0.59644%0.444SS*.PPolyproline II helixtrans-77.3130.9178.1-61.7179.5-177.5172.85.4109.9Q8 Y12Q8-R10 PolarHBondContact O-N 3.23Å; R10-Y12 HydrophobicContact CB-CE2 3.86Å
11T94.8Very high82Confident22 Ų2289.2 Ų89.214%0.13542%0.423CS..PPolyproline II helixtrans-102.615117359.60000111.8K18 K19 M53 P55T11-K18 WeakPolarHBondContact O-CA 3.36Å; T11-K19 PolarHBondContact O-N 3.1Å; T11-M53 WeakPolarHBondContact CG2-O 3.49Å; T11-M53 PolarHBondContact OG1-O 3.38Å; T11-P55 HydrophobicContact CG2-CB 4.45Å; T11-P55 HydrophobicContact CG2-CG 4.05Å
12Y95.2Very high84.3Confident129 Ų12980 Ų8051%0.50638%0.379SS..BIsolated β-bridgetrans-133.4151.9-179.7-55.6-95.6000110.1R10 F17 K18R10-Y12 HydrophobicContact CB-CE2 3.86Å; Y12-F17 CarbonylContact C-O 3.48Å; Y12-F17 WeakPolarHBondContact CA-O 3.49Å; Y12-K18 HydrophobicContact CD1-CB 3.94Å; Y12-K18 HydrophobicContact CE1-CB 3.82Å; Y12-K18 HydrophobicContact CE1-CG 4.2Å
13D93.4Very high86.1Confident38 Ų3874 Ų7420%0.20335%0.349CS..  trans-88.6-179.4170.769.724000112.6E15 G16 F17 K19 R93D13-E15 PolarHBondContact O-N 3.21Å; D13-E15 WeakPolarHBondContact OD1-CA 3.49Å; D13-E15 PolarHBondContact OD1-N 3.47Å; D13-G16 PolarHBondContact O-N 3.24Å; D13-G16 PolarHBondContact OD1-N 3.39Å; D13-F17 PolarHBondContact N-O 3.45Å; D13-F17 PolarHBondContact OD1-N 3.21Å; D13-F17 WeakPolarHBondContact OD2-CB 3.46Å; D13-K19 HydrophobicContact CB-CG 4.39Å; D13-R93 IonicContact OD2-CZ 2.78Å; D13-R93 IonicContact OD2-NE 2.85Å; D13-R93 IonicContact OD2-NH1 2.89Å; D13-R93 PolarHBondContact OD2-NH1 2.94Å
14R93.8Very high87.6Confident261 Ų26171.8 Ų71.899%0.98534%0.34SS*.THydrogen-bonded Turntrans-64.3-21.9-176.4-63-177.4-178.3-175.7-0113.5G16R14-G16 VanDerWaalsContact C-N 3.31Å
15E93Very high89.4Confident121 Ų12163.5 Ų63.557%0.56530%0.303SS*.THydrogen-bonded Turntrans-92.71.5179.3-63175.7-9800111.8D13 F17 R93D13-E15 PolarHBondContact O-N 3.21Å; D13-E15 WeakPolarHBondContact OD1-CA 3.49Å; D13-E15 PolarHBondContact OD1-N 3.47Å; E15-F17 HydrophobicContact CB-CD2 3.78Å; E15-F17 HydrophobicContact CB-CE2 4.07Å; E15-R93 IonicContact OE1-CZ 3.43Å; E15-R93 IonicContact OE1-NH1 2.82Å; E15-R93 PolarHBondContact OE1-NH1 3.49Å; E15-R93 IonicContact OE1-NH2 3.73Å; E15-R93 PolarHBondContact OE1-NH2 2.99Å; E15-R93 IonicContact OE2-NH2 3.05Å
16G93.4Very high91Very high39 Ų3961.5 Ų61.540%0.40229%0.294SS..SBendtrans82.814.9179.100000113.8D13 R14D13-G16 PolarHBondContact O-N 3.24Å; D13-G16 PolarHBondContact OD1-N 3.39Å; R14-G16 VanDerWaalsContact C-N 3.31Å
17F94.9Very high93Very high14 Ų1462.3 Ų62.36%0.06129%0.285CS..PPolyproline II helixtrans-79.5133.5174.3-74.8-109.1000110.7Y12 D13 E15 K19 E85 N87 K91 R93Y12-F17 CarbonylContact C-O 3.48Å; Y12-F17 WeakPolarHBondContact CA-O 3.49Å; D13-F17 PolarHBondContact N-O 3.45Å; D13-F17 PolarHBondContact OD1-N 3.21Å; D13-F17 WeakPolarHBondContact OD2-CB 3.46Å; E15-F17 HydrophobicContact CB-CD2 3.78Å; E15-F17 HydrophobicContact CB-CE2 4.07Å; F17-K19 PolarHBondContact O-N 2.6Å; F17-E85 HydrophobicContact CE1-CB 4.31Å; F17-E85 HydrophobicContact CE1-CG 4.32Å; F17-N87 WeakPolarHBondContact CE1-OD1 3.24Å; F17-N87 WeakPolarHBondContact CZ-OD1 3.42Å; F17-K91 CarbonylContact C-O 3.58Å; F17-K91 VanDerWaalsContact CA-O 3.24Å; F17-K91 WeakPolarHBondContact CA-O 3.31Å; F17-K91 VanDerWaalsContact CD1-C 3.48Å; F17-K91 HydrophobicContact CD1-CB 4.02Å; F17-K91 HydrophobicContact CE1-CB 4.35Å; F17-K91 HydrophobicContact CG-CB 4.23Å; F17-R93 HydrophobicContact CB-CB 3.89Å; F17-R93 HydrophobicContact CD1-CB 4.03Å; F17-R93 HydrophobicContact CG-CB 4.26Å
18K95.5Very high94.6Very high32 Ų3257.5 Ų57.514%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-65.3124.1169.1-173.2-173.3174.6-175.30108.9T11 Y12 R20 K91 R93T11-K18 WeakPolarHBondContact O-CA 3.36Å; Y12-K18 HydrophobicContact CD1-CB 3.94Å; Y12-K18 HydrophobicContact CE1-CB 3.82Å; Y12-K18 HydrophobicContact CE1-CG 4.2Å; K18-R20 HydrophobicContact CD-CG 4.49Å; K18-R20 HydrophobicContact CG-CG 4.49Å; K18-K91 PolarHBondContact N-O 3.11Å; K18-R93 PolarHBondContact O-N 3.37Å
19K97.3Very high95.7Very high57 Ų5762 Ų6225%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-75.5130.4176.4-60.817666.5-169.10110T11 D13 F17 M53T11-K19 PolarHBondContact O-N 3.1Å; D13-K19 HydrophobicContact CB-CG 4.39Å; F17-K19 PolarHBondContact O-N 2.6Å; K19-M53 HydrophobicContact CB-CB 4.1Å; K19-M53 HydrophobicContact CB-CG 4.22Å; K19-M53 HydrophobicContact CB-SD 3.79Å; K19-M53 PolarHBondContact O-N 3.42Å
20R97.8Very high96.1Very high39 Ų3965 Ų6515%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-135.7157.4-179.6-68-16669.3-162.10.9111.1K18 G50 G51 R93 T94 Y95K18-R20 HydrophobicContact CD-CG 4.49Å; K18-R20 HydrophobicContact CG-CG 4.49Å; R20-G50 PolarHBondContact NH2-O 2.88Å; R20-G51 WeakPolarHBondContact CA-O 3.3Å; R20-G51 WeakPolarHBondContact CB-O 3.34Å; R20-G51 VanDerWaalsContact CG-O 3.29Å; R20-G51 WeakPolarHBondContact CG-O 3.29Å; R20-G51 PolarHBondContact NE-O 2.93Å; R20-R93 PolarHBondContact N-O 2.69Å; R20-T94 HydrophobicContact CB-CG2 3.98Å; R20-T94 CarbonylContact O-C 3.57Å; R20-T94 WeakPolarHBondContact O-CA 3.43Å; R20-Y95 WeakPolarHBondContact O-CD2 3.49Å; R20-Y95 PolarHBondContact O-N 3.35Å
21A98.4Very high96.5Very high0 Ų058.9 Ų58.90%027%0.27CS..EExtended strand (participates in β ladder)trans-136.3149.7171.100000110.5G50 G51 M53 P59 A62 A63 Y95A21-G50 CarbonylContact O-C 3.57Å; A21-G50 WeakPolarHBondContact O-CA 3.27Å; A21-G51 PolarHBondContact N-O 3.44Å; A21-G51 VanDerWaalsContact N-O 3.13Å; A21-G51 PolarHBondContact O-N 2.96Å; A21-M53 HydrophobicContact CB-CG 4.21Å; A21-P59 WeakPolarHBondContact CB-O 3.4Å; A21-A62 HydrophobicContact CB-CB 3.6Å; A21-A63 HydrophobicContact CB-CB 3.96Å; A21-Y95 CarbonylContact C-O 3.55Å; A21-Y95 VanDerWaalsContact CA-O 3.29Å; A21-Y95 WeakPolarHBondContact CA-O 3.47Å
22A98.7Very high96.5Very high4 Ų461.8 Ų61.83%0.03329%0.285CS..EExtended strand (participates in β ladder)trans-150.1160.8-179.300000110.2V48 P49 T94 Y95 V96 Y97A22-V48 HydrophobicContact CB-CG1 4.27Å; A22-P49 WeakPolarHBondContact CA-O 3.5Å; A22-P49 WeakPolarHBondContact CB-O 3.27Å; A22-T94 HydrophobicContact CB-CG2 3.91Å; A22-Y95 PolarHBondContact N-O 2.76Å; A22-V96 HydrophobicContact CB-CG2 4.47Å; A22-V96 WeakPolarHBondContact O-CA 3.35Å; A22-Y97 PolarHBondContact O-N 3.21Å
23C98.5Very high96.7Very high0 Ų058.7 Ų58.70%028%0.275CS..EExtended strand (participates in β ladder)trans-126.2144.9167-56.40000112C25 V48 P49 A63 V67 Y97 L99C23-C25 PolarHBondContact O-N 2.92Å; C23-V48 VanDerWaalsContact O-CG1 3.27Å; C23-V48 WeakPolarHBondContact O-CG1 3.49Å; C23-P49 PolarHBondContact N-O 3.3Å; C23-A63 WeakPolarHBondContact SG-CB 3.29Å; C23-V67 HydrophobicContact CB-CG1 3.75Å; C23-Y97 CarbonylContact C-O 3.52Å; C23-Y97 WeakPolarHBondContact CA-O 3.11Å; C23-L99 HydrophobicContact CB-CB 3.96Å
24L98.8Very high97Very high0 Ų056.9 Ų56.90%027%0.265CS..EExtended strand (participates in β ladder)trans-81.4102154.5-57.7-177.9000107.7F26 V34 V48 L81 V96 Y97 L99 Y140 L141 L144L24-F26 HydrophobicContact CB-CD2 4.35Å; L24-F26 HydrophobicContact CB-CE2 3.52Å; L24-F26 HydrophobicContact CB-CZ 3.73Å; L24-F26 HydrophobicContact CD1-CE2 4.4Å; L24-F26 HydrophobicContact CD1-CZ 4.11Å; L24-F26 WeakPolarHBondContact O-CD2 3.34Å; L24-F26 PolarHBondContact O-N 3.48Å; L24-V34 HydrophobicContact CB-CG2 4.3Å; L24-V34 HydrophobicContact CD2-CG2 4.49Å; L24-V48 HydrophobicContact CD2-CG1 3.96Å; L24-V48 HydrophobicContact CD2-CG2 3.88Å; L24-L81 HydrophobicContact CD1-CD2 3.59Å; L24-V96 HydrophobicContact CG-CG1 4.12Å; L24-Y97 PolarHBondContact N-O 2.91Å; L24-L99 PolarHBondContact O-N 2.69Å; L24-Y140 HydrophobicContact CD2-CD2 4.44Å; L24-L141 HydrophobicContact CD1-CD2 3.93Å; L24-L141 HydrophobicContact CD1-CG 4.47Å; L24-L141 HydrophobicContact CD2-CD2 3.99Å; L24-L141 HydrophobicContact CD2-CG 4.19Å; L24-L144 HydrophobicContact CD1-CD1 4.34Å
25C98.8Very high97.2Very high0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-85.3105.6-179.1-65.50000109.8C23 V34 L35 L99 V101 W120C23-C25 PolarHBondContact O-N 2.92Å; C25-V34 CarbonylContact O-C 3.48Å; C25-V34 WeakPolarHBondContact O-CA 3.34Å; C25-L35 HydrophobicContact CB-CB 4.02Å; C25-L35 PolarHBondContact O-N 2.95Å; C25-L99 CarbonylContact C-O 3.49Å; C25-L99 WeakPolarHBondContact CA-O 3.27Å; C25-L99 HydrophobicContact CB-CD2 4.41Å; C25-V101 HydrophobicContact CB-CG2 3.8Å; C25-W120 VanDerWaalsContact O-CZ3 3.3Å; C25-W120 WeakPolarHBondContact O-CZ3 3.35Å
26F98.8Very high97.5Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-94.9148.2179.4-64.2-77.1000112.5L24 S28 E31 E33 V34 V98 L99 V101 V123 L144L24-F26 HydrophobicContact CB-CD2 4.35Å; L24-F26 HydrophobicContact CB-CE2 3.52Å; L24-F26 HydrophobicContact CB-CZ 3.73Å; L24-F26 HydrophobicContact CD1-CE2 4.4Å; L24-F26 HydrophobicContact CD1-CZ 4.11Å; L24-F26 WeakPolarHBondContact O-CD2 3.34Å; L24-F26 PolarHBondContact O-N 3.48Å; F26-S28 VanDerWaalsContact C-N 3.29Å; F26-S28 WeakPolarHBondContact CB-O 3.49Å; F26-S28 PolarHBondContact O-N 3.02Å; F26-E31 VanDerWaalsContact CD1-CA 3.44Å; F26-E31 HydrophobicContact CD1-CB 3.89Å; F26-E31 HydrophobicContact CD1-CG 4.43Å; F26-E31 HydrophobicContact CD2-CB 4.18Å; F26-E31 HydrophobicContact CD2-CG 3.89Å; F26-E31 HydrophobicContact CE1-CB 3.95Å; F26-E31 VanDerWaalsContact CE1-O 3.3Å; F26-E31 WeakPolarHBondContact CE1-O 3.29Å; F26-E31 HydrophobicContact CE2-CB 4.23Å; F26-E31 HydrophobicContact CE2-CG 4.14Å; F26-E31 HydrophobicContact CG-CB 4.01Å; F26-E31 HydrophobicContact CG-CG 4.04Å; F26-E31 HydrophobicContact CZ-CB 4.14Å; F26-E33 VanDerWaalsContact CA-O 3.27Å; F26-E33 WeakPolarHBondContact CA-O 3.43Å; F26-E33 WeakPolarHBondContact CD1-O 3.47Å; F26-V34 HydrophobicContact CD1-CB 4.06Å; F26-V34 HydrophobicContact CE1-CB 3.87Å; F26-V34 HydrophobicContact CE1-CG2 4.26Å; F26-V98 HydrophobicContact CD2-CG1 3.74Å; F26-V98 HydrophobicContact CE2-CG1 3.85Å; F26-V98 HydrophobicContact CE2-CG2 4.27Å; F26-L99 PolarHBondContact N-O 2.83Å; F26-V101 PolarHBondContact O-N 3.43Å; F26-V123 HydrophobicContact CE1-CG2 3.96Å; F26-L144 HydrophobicContact CE1-CD2 3.92Å; F26-L144 HydrophobicContact CE2-CD1 4.27Å; F26-L144 HydrophobicContact CE2-CD2 4.27Å; F26-L144 HydrophobicContact CZ-CD1 4.13Å; F26-L144 HydrophobicContact CZ-CD2 3.38Å; F26-L144 HydrophobicContact CZ-CG 4.38Å
27R98.4Very high97.7Very high115 Ų11537 Ų3743%0.43417%0.173SC..SBendtrans-68.1-31177.2-173.8179.1-75174.4-5.9112.3E33 W120R27-E33 HydrophobicContact CB-CB 4.2Å; R27-E33 WeakPolarHBondContact CD-OE2 3.45Å; R27-E33 IonicContact CZ-OE1 3.52Å; R27-E33 IonicContact CZ-OE2 2.91Å; R27-E33 VanDerWaalsContact CZ-OE2 3.3Å; R27-E33 PolarHBondContact N-O 3.32Å; R27-E33 IonicContact NE-OE2 3.62Å; R27-E33 IonicContact NH1-OE1 2.82Å; R27-E33 PolarHBondContact NH1-OE1 2.82Å; R27-E33 IonicContact NH1-OE2 3.78Å; R27-E33 PolarHBondContact NH1-OE2 3.18Å; R27-E33 IonicContact NH2-OE1 2.69Å; R27-W120 VanDerWaalsContact CA-CH2 3.48Å; R27-W120 HydrophobicContact CB-CD2 4.45Å; R27-W120 HydrophobicContact CB-CE3 4.01Å; R27-W120 HydrophobicContact CB-CH2 3.78Å; R27-W120 HydrophobicContact CB-CZ2 4.22Å; R27-W120 HydrophobicContact CB-CZ3 3.66Å; R27-W120 HydrophobicContact CG-CH2 4.47Å; R27-W120 HydrophobicContact CG-CZ2 4.46Å; R27-W120 VanDerWaalsContact NH2-CB 3.28Å
28S97.9Very high97.9Very high45 Ų4536.5 Ų36.532%0.31517%0.172SC..SBendtrans-148.3173.8-177.972.70000111.1F26 Q30 E31F26-S28 VanDerWaalsContact C-N 3.29Å; F26-S28 WeakPolarHBondContact CB-O 3.49Å; F26-S28 PolarHBondContact O-N 3.02Å; S28-Q30 PolarHBondContact O-N 2.89Å; S28-Q30 WeakPolarHBondContact OG-CB 3.39Å; S28-Q30 PolarHBondContact OG-N 3.17Å; S28-E31 PolarHBondContact O-N 2.69Å
29E95.4Very high97.9Very high143 Ų14335.4 Ų35.467%0.66817%0.168SC*.THydrogen-bonded Turntrans-68.4-7173.9-60.1-168.7155.800113.3E31 K76 T100E29-E31 VanDerWaalsContact C-N 3.27Å; E29-K76 IonicContact OE1-NZ 3.75Å; E29-T100 HydrophobicContact CG-CG2 4.19Å
30Q95.9Very high97.7Very high147 Ų14734.4 Ų34.469%0.68717%0.168SC*.THydrogen-bonded Turntrans-75.5-17.3174.3-64.7175.8-20.700112.7S28 D32S28-Q30 PolarHBondContact O-N 2.89Å; S28-Q30 WeakPolarHBondContact OG-CB 3.39Å; S28-Q30 PolarHBondContact OG-N 3.17Å; Q30-D32 PolarHBondContact O-N 3.17Å
31E97.1Very high97.4Very high31 Ų3138.3 Ų38.315%0.14518%0.183CC..  trans59.926.6177.3-55.7-177.6176.100114.9F26 S28 E29 R79 V98 V123 L144F26-E31 VanDerWaalsContact CD1-CA 3.44Å; F26-E31 HydrophobicContact CD1-CB 3.89Å; F26-E31 HydrophobicContact CD1-CG 4.43Å; F26-E31 HydrophobicContact CD2-CB 4.18Å; F26-E31 HydrophobicContact CD2-CG 3.89Å; F26-E31 HydrophobicContact CE1-CB 3.95Å; F26-E31 VanDerWaalsContact CE1-O 3.3Å; F26-E31 WeakPolarHBondContact CE1-O 3.29Å; F26-E31 HydrophobicContact CE2-CB 4.23Å; F26-E31 HydrophobicContact CE2-CG 4.14Å; F26-E31 HydrophobicContact CG-CB 4.01Å; F26-E31 HydrophobicContact CG-CG 4.04Å; F26-E31 HydrophobicContact CZ-CB 4.14Å; S28-E31 PolarHBondContact O-N 2.69Å; E29-E31 VanDerWaalsContact C-N 3.27Å; E31-R79 IonicContact OE1-CZ 3.54Å; E31-R79 IonicContact OE1-NH1 2.69Å; E31-R79 PolarHBondContact OE1-NH1 3.2Å; E31-R79 IonicContact OE1-NH2 3.36Å; E31-R79 PolarHBondContact OE1-NH2 3.36Å; E31-R79 IonicContact OE2-CZ 3.68Å; E31-R79 IonicContact OE2-NH1 3.58Å; E31-R79 IonicContact OE2-NH2 3.44Å; E31-R79 PolarHBondContact OE2-NH2 2.87Å; E31-V98 WeakPolarHBondContact OE1-CG1 3.19Å; E31-V123 VanDerWaalsContact O-CG2 3.27Å; E31-V123 WeakPolarHBondContact O-CG2 3.23Å; E31-L144 HydrophobicContact CB-CD2 4.41Å; E31-L144 WeakPolarHBondContact OE2-CD1 3Å
32D96.3Very high97.3Very high83 Ų8344.6 Ų44.644%0.44421%0.207SC..  trans-88.7-29.2-177.6-70.4-35.3000114.5Q30 K122 V123Q30-D32 PolarHBondContact O-N 3.17Å; D32-K122 WeakPolarHBondContact O-CA 3.29Å; D32-V123 PolarHBondContact O-N 3.45Å
33E98.5Very high97Very high63 Ų6347.9 Ų47.929%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-122.3123.3179.5-68.9-179.9105.800110.6F26 R27 W120 F121F26-E33 VanDerWaalsContact CA-O 3.27Å; F26-E33 WeakPolarHBondContact CA-O 3.43Å; F26-E33 WeakPolarHBondContact CD1-O 3.47Å; R27-E33 HydrophobicContact CB-CB 4.2Å; R27-E33 WeakPolarHBondContact CD-OE2 3.45Å; R27-E33 IonicContact CZ-OE1 3.52Å; R27-E33 IonicContact CZ-OE2 2.91Å; R27-E33 VanDerWaalsContact CZ-OE2 3.3Å; R27-E33 PolarHBondContact N-O 3.32Å; R27-E33 IonicContact NE-OE2 3.62Å; R27-E33 IonicContact NH1-OE1 2.82Å; R27-E33 PolarHBondContact NH1-OE1 2.82Å; R27-E33 IonicContact NH1-OE2 3.78Å; R27-E33 PolarHBondContact NH1-OE2 3.18Å; R27-E33 IonicContact NH2-OE1 2.69Å; E33-W120 HydrophobicContact CB-CE3 4.32Å; E33-W120 WeakPolarHBondContact O-CZ3 3.22Å; E33-F121 CarbonylContact C-O 3.46Å; E33-F121 VanDerWaalsContact CA-O 3.23Å; E33-F121 WeakPolarHBondContact CA-O 3.07Å
34V98.8Very high96.8Very high1 Ų155.1 Ų55.11%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-112.5140.7-179.265.60000111L24 C25 F26 F121 A126 L141L24-V34 HydrophobicContact CB-CG2 4.3Å; L24-V34 HydrophobicContact CD2-CG2 4.49Å; C25-V34 CarbonylContact O-C 3.48Å; C25-V34 WeakPolarHBondContact O-CA 3.34Å; F26-V34 HydrophobicContact CD1-CB 4.06Å; F26-V34 HydrophobicContact CE1-CB 3.87Å; F26-V34 HydrophobicContact CE1-CG2 4.26Å; V34-F121 PolarHBondContact N-O 3.23Å; V34-F121 PolarHBondContact O-N 3.49Å; V34-A126 HydrophobicContact CG1-CB 3.49Å; V34-A126 VanDerWaalsContact CG1-CB 3.49Å; V34-L141 HydrophobicContact CB-CD2 4.37Å; V34-L141 HydrophobicContact CG1-CD1 4.34Å; V34-L141 HydrophobicContact CG1-CD2 4.06Å; V34-L141 HydrophobicContact CG2-CD2 4.36Å
35L98.8Very high96.7Very high2 Ų256.8 Ų56.81%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-86.7123.1176.3-168.874.3000110C25 A71 V73 R118 W120C25-L35 HydrophobicContact CB-CB 4.02Å; C25-L35 PolarHBondContact O-N 2.95Å; L35-A71 HydrophobicContact CD2-CB 3.99Å; L35-V73 HydrophobicContact CD2-CG1 3.57Å; L35-V73 HydrophobicContact CD2-CG2 4.45Å; L35-R118 HydrophobicContact CD1-CB 4.14Å; L35-R118 HydrophobicContact CD1-CG 4.24Å; L35-R118 HydrophobicContact CD2-CB 4.48Å; L35-R118 HydrophobicContact CG-CB 4.34Å; L35-W120 HydrophobicContact CB-CD2 4.21Å; L35-W120 HydrophobicContact CB-CE3 3.81Å; L35-W120 HydrophobicContact CB-CH2 3.9Å; L35-W120 HydrophobicContact CB-CZ2 4.3Å; L35-W120 HydrophobicContact CB-CZ3 3.63Å; L35-W120 HydrophobicContact CD1-CD2 3.74Å; L35-W120 HydrophobicContact CD1-CE3 4.22Å; L35-W120 HydrophobicContact CD1-CG 3.99Å; L35-W120 HydrophobicContact CD1-CZ2 4.15Å
36L98.8Very high96.7Very high0 Ų059 Ų590%028%0.283CS..EExtended strand (participates in β ladder)trans-107.7160.1169.9-57.8-175.6000110.2W46 V48 R118 E119 F121 A126 V129 L130L36-W46 HydrophobicContact CB-CB 4.19Å; L36-W46 HydrophobicContact CB-CE3 4.11Å; L36-W46 HydrophobicContact CD1-CB 3.89Å; L36-V48 HydrophobicContact CD2-CG2 3.94Å; L36-R118 CarbonylContact O-C 3.46Å; L36-R118 WeakPolarHBondContact O-CA 3.49Å; L36-E119 PolarHBondContact N-O 3.49Å; L36-E119 PolarHBondContact O-N 2.96Å; L36-F121 HydrophobicContact CB-CD2 3.87Å; L36-F121 HydrophobicContact CB-CE2 3.91Å; L36-F121 HydrophobicContact CD1-CD2 3.75Å; L36-F121 HydrophobicContact CD1-CE2 4.08Å; L36-F121 HydrophobicContact CD1-CG 4.17Å; L36-F121 HydrophobicContact CG-CD2 3.76Å; L36-F121 HydrophobicContact CG-CE2 4.23Å; L36-F121 HydrophobicContact CG-CG 4.49Å; L36-A126 HydrophobicContact CD1-CB 4Å; L36-V129 HydrophobicContact CD1-CG2 3.84Å; L36-L130 HydrophobicContact CD1-CD1 4.23Å; L36-L130 HydrophobicContact CD1-CD2 4.34Å; L36-L130 HydrophobicContact CD1-CG 4.15Å; L36-L130 HydrophobicContact CD2-CD1 4.18Å
37V98.7Very high96.7Very high0 Ų059.8 Ų59.80%029%0.287CS..EExtended strand (participates in β ladder)trans-123.2153.4174.8-61.40000111W46 I47 P49 A71 R116 K117 R118V37-W46 VanDerWaalsContact C-CE3 3.43Å; V37-W46 CarbonylContact O-C 3.47Å; V37-W46 WeakPolarHBondContact O-CA 3.28Å; V37-I47 HydrophobicContact CG2-CD1 4.38Å; V37-I47 HydrophobicContact CG2-CG1 3.72Å; V37-I47 PolarHBondContact N-O 3.12Å; V37-I47 WeakPolarHBondContact O-CG1 3.31Å; V37-I47 PolarHBondContact O-N 3.46Å; V37-P49 HydrophobicContact CG1-CB 4.24Å; V37-P49 HydrophobicContact CG2-CB 3.96Å; V37-A71 HydrophobicContact CG1-CB 3.58Å; V37-R116 HydrophobicContact CB-CG 4.13Å; V37-R116 VanDerWaalsContact CG2-NH1 3.31Å; V37-K117 CarbonylContact C-O 3.27Å; V37-K117 WeakPolarHBondContact CA-O 3.37Å; V37-K117 WeakPolarHBondContact CB-O 3.34Å; V37-R118 HydrophobicContact CG1-CB 4Å
38S98.2Very high96.7Very high5 Ų554.4 Ų54.44%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-68.2147.9175.363.80000111.2P43 Q45 R116 K117S38-P43 WeakPolarHBondContact CB-O 3.3Å; S38-Q45 CarbonylContact C-O 3.54Å; S38-Q45 WeakPolarHBondContact CA-O 3.36Å; S38-R116 PolarHBondContact O-NH1 2.93Å; S38-K117 PolarHBondContact N-O 3Å; S38-K117 PolarHBondContact OG-N 2.86Å
39S96.4Very high96.7Very high8 Ų852.3 Ų52.36%0.05625%0.252CS..  trans-71.6130.7176.61600000110.6R41 Y42 P43 Q45S39-R41 PolarHBondContact O-N 2.82Å; S39-R41 VanDerWaalsContact O-N 3.13Å; S39-R41 PolarHBondContact OG-N 3.42Å; S39-Y42 VanDerWaalsContact CB-O 3.3Å; S39-Y42 WeakPolarHBondContact CB-O 3.36Å; S39-Y42 CarbonylContact O-C 3.58Å; S39-Y42 VanDerWaalsContact O-C 3.27Å; S39-Y42 PolarHBondContact O-N 3.38Å; S39-Y42 PolarHBondContact OG-N 2.77Å; S39-Y42 VanDerWaalsContact OG-N 3.16Å; S39-P43 WeakPolarHBondContact O-CA 3.3Å; S39-Q45 PolarHBondContact N-O 3.17Å
40S93Very high96.8Very high36 Ų3645.6 Ų45.625%0.25222%0.222SC..SBendtrans-62.4-19.717659.90000114.2
41R92.1Very high96.8Very high122 Ų12239 Ų3946%0.4619%0.193SC..SBendtrans-95.6-31.4177.2-64.9-171.3-175.7-152.80.3113.4M2 S39 R90M2-R41 HydrophobicContact CE-CG 4.22Å; M2-R41 HydrophobicContact CG-CG 4.5Å; M2-R41 HydrophobicContact SD-CG 4.46Å; S39-R41 PolarHBondContact O-N 2.82Å; S39-R41 VanDerWaalsContact O-N 3.13Å; S39-R41 PolarHBondContact OG-N 3.42Å; R41-R90 VanDerWaalsContact NH1-NH2 3.11Å
42Y94.6Very high96.8Very high132 Ų13237.6 Ų37.652%0.51819%0.187SC..  trans-137.785.7-174.7-56.1-72.6000107.1S39 D44 Q45S39-Y42 VanDerWaalsContact CB-O 3.3Å; S39-Y42 WeakPolarHBondContact CB-O 3.36Å; S39-Y42 CarbonylContact O-C 3.58Å; S39-Y42 VanDerWaalsContact O-C 3.27Å; S39-Y42 PolarHBondContact O-N 3.38Å; S39-Y42 PolarHBondContact OG-N 2.77Å; S39-Y42 VanDerWaalsContact OG-N 3.16Å; Y42-D44 PolarHBondContact O-N 3.06Å; Y42-Q45 WeakPolarHBondContact O-CB 3.43Å; Y42-Q45 PolarHBondContact O-N 2.93Å
43P93.4Very high96.8Very high73 Ų7333.7 Ų33.747%0.47417%0.166SC..THydrogen-bonded Turntrans-57.8-17.6-170.8-2837000115.1S38 S39 Q45S38-P43 WeakPolarHBondContact CB-O 3.3Å; S39-P43 WeakPolarHBondContact O-CA 3.3Å; P43-Q45 VanDerWaalsContact C-N 3.33Å
44D94Very high96.7Very high151 Ų15133.7 Ų33.781%0.80717%0.166SC*.THydrogen-bonded Turntrans-87.5-5.1-179-29.9-36.3000112.1Y42Y42-D44 PolarHBondContact O-N 3.06Å
45Q97Very high96.5Very high35 Ų3537 Ų3716%0.16419%0.188CC..SBendtrans-108143179.4-60.1-179.1-9.700111S38 S39 Y42 P43 H133S38-Q45 CarbonylContact C-O 3.54Å; S38-Q45 WeakPolarHBondContact CA-O 3.36Å; S39-Q45 PolarHBondContact N-O 3.17Å; Y42-Q45 WeakPolarHBondContact O-CB 3.43Å; Y42-Q45 PolarHBondContact O-N 2.93Å; P43-Q45 VanDerWaalsContact C-N 3.33Å; Q45-H133 VanDerWaalsContact CD-CD2 3.46Å; Q45-H133 VanDerWaalsContact CD-CG 3.48Å; Q45-H133 HydrophobicContact CG-CB 4.49Å; Q45-H133 PolarHBondContact NE2-CD2 3.07Å; Q45-H133 VanDerWaalsContact NE2-CD2 3.3Å; Q45-H133 PolarHBondContact NE2-CE1 2.86Å; Q45-H133 VanDerWaalsContact NE2-CG 3.26Å; Q45-H133 PolarHBondContact NE2-ND1 3.32Å; Q45-H133 PolarHBondContact NE2-NE2 3.03Å
46W98.1Very high96.2Very high46 Ų4646.6 Ų46.617%0.17423%0.233CC..EExtended strand (participates in β ladder)trans-96.5148.1178.2-62.3104.1000112.3L36 V37 K117 E119 F121 V129 L130L36-W46 HydrophobicContact CB-CB 4.19Å; L36-W46 HydrophobicContact CB-CE3 4.11Å; L36-W46 HydrophobicContact CD1-CB 3.89Å; V37-W46 VanDerWaalsContact C-CE3 3.43Å; V37-W46 CarbonylContact O-C 3.47Å; V37-W46 WeakPolarHBondContact O-CA 3.28Å; W46-K117 HydrophobicContact CH2-CB 4.23Å; W46-K117 HydrophobicContact CZ3-CB 4.43Å; W46-E119 HydrophobicContact CH2-CB 3.54Å; W46-E119 HydrophobicContact CZ2-CB 4.08Å; W46-E119 WeakPolarHBondContact CZ2-OE2 3.18Å; W46-E119 HydrophobicContact CZ3-CB 3.94Å; W46-F121 AromaticContact CD1-CZ 3.87Å; W46-F121 AromaticContact CD2-CE2 3.92Å; W46-F121 HydrophobicContact CD2-CE2 3.92Å; W46-F121 AromaticContact CD2-CZ 3.84Å; W46-F121 HydrophobicContact CD2-CZ 3.84Å; W46-F121 AromaticContact CE2-CZ 3.65Å; W46-F121 HydrophobicContact CE3-CE2 4.13Å; W46-F121 HydrophobicContact CE3-CZ 4.47Å; W46-F121 HydrophobicContact CG-CE2 4.24Å; W46-F121 AromaticContact CG-CZ 3.99Å; W46-F121 HydrophobicContact CG-CZ 3.99Å; W46-F121 HydrophobicContact CZ2-CE2 4.48Å; W46-F121 HydrophobicContact CZ2-CZ 4.12Å; W46-F121 AromaticContact NE1-CZ 3.65Å; W46-V129 HydrophobicContact CB-CG2 4.18Å; W46-L130 VanDerWaalsContact O-CD2 3.31Å; W46-L130 WeakPolarHBondContact O-CD2 3.29Å
47I98.3Very high96Very high18 Ų1848.3 Ų48.39%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-142.6151177.271.6173.5000110.6V37 K134V37-I47 HydrophobicContact CG2-CD1 4.38Å; V37-I47 HydrophobicContact CG2-CG1 3.72Å; V37-I47 PolarHBondContact N-O 3.12Å; V37-I47 WeakPolarHBondContact O-CG1 3.31Å; V37-I47 PolarHBondContact O-N 3.46Å; I47-K134 HydrophobicContact CG2-CD 4.31Å; I47-K134 HydrophobicContact CG2-CG 3.74Å
48V98.5Very high95.9Very high2 Ų255.2 Ų55.21%0.01227%0.273CS..  trans-62.2129.7160.7177.30000109.7A22 C23 L24 L36 L130 H137 Y140A22-V48 HydrophobicContact CB-CG1 4.27Å; C23-V48 VanDerWaalsContact O-CG1 3.27Å; C23-V48 WeakPolarHBondContact O-CG1 3.49Å; L24-V48 HydrophobicContact CD2-CG1 3.96Å; L24-V48 HydrophobicContact CD2-CG2 3.88Å; L36-V48 HydrophobicContact CD2-CG2 3.94Å; V48-L130 HydrophobicContact CG2-CD1 4.08Å; V48-H137 HydrophobicContact CB-CB 4.41Å; V48-H137 HydrophobicContact CG2-CB 3.95Å; V48-H137 PolarHBondContact N-ND1 3.44Å; V48-Y140 HydrophobicContact CB-CD2 4.39Å; V48-Y140 HydrophobicContact CG1-CD2 4.27Å; V48-Y140 HydrophobicContact CG1-CE2 4.47Å; V48-Y140 HydrophobicContact CG2-CD2 4.19Å
49P98.5Very high95.9Very high0 Ų055.9 Ų55.90%028%0.277CS..  trans-66.1137178.127.7-34.7000111.3A22 C23 V37 V67 E70 A71A22-P49 WeakPolarHBondContact CA-O 3.5Å; A22-P49 WeakPolarHBondContact CB-O 3.27Å; C23-P49 PolarHBondContact N-O 3.3Å; V37-P49 HydrophobicContact CG1-CB 4.24Å; V37-P49 HydrophobicContact CG2-CB 3.96Å; P49-V67 HydrophobicContact CB-CG1 4.18Å; P49-V67 HydrophobicContact CG-CG1 3.95Å; P49-E70 HydrophobicContact CB-CB 4.11Å; P49-A71 HydrophobicContact CB-CB 4.19Å; P49-A71 HydrophobicContact CG-CB 4.29Å
50G97.8Very high96Very high3 Ų356 Ų563%0.03128%0.28CS..EExtended strand (participates in β ladder)trans163158.2-178.900000112.9R20 A21R20-G50 PolarHBondContact NH2-O 2.88Å; A21-G50 CarbonylContact O-C 3.57Å; A21-G50 WeakPolarHBondContact O-CA 3.27Å
51G96.4Very high96.3Very high7 Ų756.2 Ų56.27%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-154-153.4-171.100000113.4R20 A21 E66R20-G51 WeakPolarHBondContact CA-O 3.3Å; R20-G51 WeakPolarHBondContact CB-O 3.34Å; R20-G51 VanDerWaalsContact CG-O 3.29Å; R20-G51 WeakPolarHBondContact CG-O 3.29Å; R20-G51 PolarHBondContact NE-O 2.93Å; A21-G51 PolarHBondContact N-O 3.44Å; A21-G51 VanDerWaalsContact N-O 3.13Å; A21-G51 PolarHBondContact O-N 2.96Å; G51-E66 WeakPolarHBondContact CA-OE1 3.36Å; G51-E66 WeakPolarHBondContact CA-OE2 3.15Å; G51-E66 PolarHBondContact N-OE2 2.85Å
52G96.3Very high96.6Very high3 Ų350.4 Ų50.43%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-85.8141.3-176.100000110.6R65 E66G52-R65 PolarHBondContact O-NH2 2.86Å; G52-E66 PolarHBondContact N-OE1 2.8Å
53M97.3Very high96.8Very high0 Ų044.1 Ų44.10%024%0.241CC..PPolyproline II helixtrans-73.3137.4167.1-65.417861.100109.6T11 K19 A21 E57 P59 A62 Y95T11-M53 WeakPolarHBondContact CG2-O 3.49Å; T11-M53 PolarHBondContact OG1-O 3.38Å; K19-M53 HydrophobicContact CB-CB 4.1Å; K19-M53 HydrophobicContact CB-CG 4.22Å; K19-M53 HydrophobicContact CB-SD 3.79Å; K19-M53 PolarHBondContact O-N 3.42Å; A21-M53 HydrophobicContact CB-CG 4.21Å; M53-E57 WeakPolarHBondContact CE-O 3.35Å; M53-P59 HydrophobicContact CE-CB 4.09Å; M53-P59 HydrophobicContact CE-CG 3.7Å; M53-P59 HydrophobicContact SD-CB 4.25Å; M53-P59 HydrophobicContact SD-CG 4.23Å; M53-A62 HydrophobicContact CB-CB 4.33Å; M53-A62 HydrophobicContact CG-CB 3.73Å; M53-Y95 HydrophobicContact SD-CD2 3.94Å; M53-Y95 HydrophobicContact SD-CE2 4.08Å
54E95.4Very high97Very high63 Ų6343.5 Ų43.529%0.29424%0.236SC..PPolyproline II helixtrans-84.1163.1174.2-66.1-174.817800111.2Q8 E56 E57 R65Q8-E54 HydrophobicContact CG-CG 4.35Å; E54-E56 PolarHBondContact O-N 3.46Å; E54-E57 HydrophobicContact CB-CB 4.2Å; E54-E57 PolarHBondContact N-OE2 2.96Å; E54-E57 VanDerWaalsContact O-CB 3.29Å; E54-E57 WeakPolarHBondContact O-CB 3.49Å; E54-E57 PolarHBondContact O-N 2.87Å; E54-R65 IonicContact OE1-CZ 2.79Å; E54-R65 IonicContact OE1-NE 3.5Å; E54-R65 IonicContact OE1-NH1 2.85Å
55P94.2Very high97.2Very high72 Ų7238.2 Ų38.247%0.46820%0.204SC..THydrogen-bonded Turntrans-54.3137.4174.8-25.935.9000111.4T9 T11 E57T9-P55 HydrophobicContact CG2-CG 3.69Å; T11-P55 HydrophobicContact CG2-CB 4.45Å; T11-P55 HydrophobicContact CG2-CG 4.05Å; P55-E57 PolarHBondContact O-N 2.78Å
56E92.5Very high97.3Very high203 Ų20336.6 Ų36.695%0.94920%0.197SC*.THydrogen-bonded Turntrans62.26178.9-51.4-177.5160.700115E54E54-E56 PolarHBondContact O-N 3.46Å
57E95.5Very high97.3Very high36 Ų3634.4 Ų34.417%0.16819%0.189CC..  trans-82.3129.5178.3-164.6177.8-148.400111.3M53 E54 P55 A62 R65M53-E57 WeakPolarHBondContact CE-O 3.35Å; E54-E57 HydrophobicContact CB-CB 4.2Å; E54-E57 PolarHBondContact N-OE2 2.96Å; E54-E57 VanDerWaalsContact O-CB 3.29Å; E54-E57 WeakPolarHBondContact O-CB 3.49Å; E54-E57 PolarHBondContact O-N 2.87Å; P55-E57 PolarHBondContact O-N 2.78Å; E57-A62 VanDerWaalsContact CD-CB 3.42Å; E57-A62 HydrophobicContact CG-CB 3.93Å; E57-A62 VanDerWaalsContact OE1-CA 3.24Å; E57-A62 WeakPolarHBondContact OE1-CA 3.44Å; E57-A62 PolarHBondContact OE1-N 2.86Å; E57-A62 WeakPolarHBondContact OE2-CB 3.35Å; E57-R65 IonicContact OE1-CZ 3.89Å; E57-R65 IonicContact OE1-NE 2.61Å; E57-R65 PolarHBondContact OE1-NE 2.83Å; E57-R65 IonicContact OE1-NH2 3.97Å; E57-R65 PolarHBondContact OE1-NH2 3.43Å; E57-R65 IonicContact OE2-CZ 2.99Å; E57-R65 IonicContact OE2-NE 3.35Å; E57-R65 IonicContact OE2-NH2 3.15Å; E57-R65 PolarHBondContact OE2-NH2 3.06Å
58E97.5Very high97.3Very high145 Ų14538.7 Ų38.768%0.67821%0.205SC*.  trans-70.5143171.4-72.2-59.7144.700110.9G60 G61 A62E58-G60 VanDerWaalsContact C-N 3.26Å; E58-G60 PolarHBondContact O-N 3.37Å; E58-G60 VanDerWaalsContact O-N 3.13Å; E58-G61 WeakPolarHBondContact O-CA 3.32Å; E58-G61 PolarHBondContact O-N 2.79Å; E58-A62 PolarHBondContact O-N 2.96Å
59P98.2Very high97.3Very high18 Ų1839.6 Ų39.612%0.11721%0.209CC..Hα-helixtrans-54.3-38.4-176-24.330.3000114.5A21 M53 A63 Y95 Y97A21-P59 WeakPolarHBondContact CB-O 3.4Å; M53-P59 HydrophobicContact CE-CB 4.09Å; M53-P59 HydrophobicContact CE-CG 3.7Å; M53-P59 HydrophobicContact SD-CB 4.25Å; M53-P59 HydrophobicContact SD-CG 4.23Å; P59-A63 WeakPolarHBondContact O-CB 3.23Å; P59-A63 PolarHBondContact O-N 2.95Å; P59-Y95 HydrophobicContact CB-CD1 3.73Å; P59-Y95 HydrophobicContact CB-CD2 4.09Å; P59-Y95 HydrophobicContact CB-CE1 4.32Å; P59-Y95 HydrophobicContact CB-CG 3.61Å; P59-Y95 HydrophobicContact CG-CD1 3.86Å; P59-Y95 HydrophobicContact CG-CD2 4.3Å; P59-Y95 HydrophobicContact CG-CE1 3.93Å; P59-Y95 HydrophobicContact CG-CE2 4.39Å; P59-Y95 HydrophobicContact CG-CG 4.06Å; P59-Y97 HydrophobicContact CB-CE2 4.04Å
60G98.4Very high97.2Very high12 Ų1240.2 Ų40.212%0.12421%0.211CC..Hα-helixtrans-67.6-38.2176.500000113E58 A63 V64E58-G60 VanDerWaalsContact C-N 3.26Å; E58-G60 PolarHBondContact O-N 3.37Å; E58-G60 VanDerWaalsContact O-N 3.13Å; G60-A63 PolarHBondContact O-N 3.48Å; G60-V64 WeakPolarHBondContact O-CG2 3.4Å; G60-V64 PolarHBondContact O-N 3.13Å
61G98.3Very high97.3Very high40 Ų4040 Ų4041%0.41221%0.21SC..Hα-helixtrans-63.4-46.4174.600000111.5E58 A63 V64 R65E58-G61 WeakPolarHBondContact O-CA 3.32Å; E58-G61 PolarHBondContact O-N 2.79Å; G61-A63 VanDerWaalsContact C-N 3.3Å; G61-A63 PolarHBondContact O-N 3.41Å; G61-V64 PolarHBondContact O-N 2.99Å; G61-R65 PolarHBondContact O-N 3.06Å
62A98.3Very high97.4Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-58-42.5174.300000112.2A21 M53 E57 E58 R65 E66A21-A62 HydrophobicContact CB-CB 3.6Å; M53-A62 HydrophobicContact CB-CB 4.33Å; M53-A62 HydrophobicContact CG-CB 3.73Å; E57-A62 VanDerWaalsContact CD-CB 3.42Å; E57-A62 HydrophobicContact CG-CB 3.93Å; E57-A62 VanDerWaalsContact OE1-CA 3.24Å; E57-A62 WeakPolarHBondContact OE1-CA 3.44Å; E57-A62 PolarHBondContact OE1-N 2.86Å; E57-A62 WeakPolarHBondContact OE2-CB 3.35Å; E58-A62 PolarHBondContact O-N 2.96Å; A62-R65 PolarHBondContact O-N 3.24Å; A62-E66 WeakPolarHBondContact O-CB 3.43Å; A62-E66 WeakPolarHBondContact O-CG 3.41Å; A62-E66 PolarHBondContact O-N 2.92Å
63A98.6Very high97.5Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-62.7-45.5178.800000111.6A21 C23 P59 G60 G61 E66 V67 Y97A21-A63 HydrophobicContact CB-CB 3.96Å; C23-A63 WeakPolarHBondContact SG-CB 3.29Å; P59-A63 WeakPolarHBondContact O-CB 3.23Å; P59-A63 PolarHBondContact O-N 2.95Å; G60-A63 PolarHBondContact O-N 3.48Å; G61-A63 VanDerWaalsContact C-N 3.3Å; G61-A63 PolarHBondContact O-N 3.41Å; A63-E66 PolarHBondContact O-N 3.24Å; A63-V67 WeakPolarHBondContact O-CG1 3.27Å; A63-V67 PolarHBondContact O-N 2.79Å; A63-V67 VanDerWaalsContact O-N 3.15Å; A63-Y97 HydrophobicContact CB-CD2 3.9Å
64V98.6Very high97.5Very high59 Ų5943.4 Ų43.436%0.35822%0.222SC..Hα-helixtrans-64.6-45.5177.7172.40000111.7G60 G61 V67 Y68 L77 L99G60-V64 WeakPolarHBondContact O-CG2 3.4Å; G60-V64 PolarHBondContact O-N 3.13Å; G61-V64 PolarHBondContact O-N 2.99Å; V64-V67 VanDerWaalsContact O-CG2 3.28Å; V64-V67 WeakPolarHBondContact O-CG2 3.44Å; V64-Y68 WeakPolarHBondContact O-CB 3.46Å; V64-Y68 PolarHBondContact O-N 3.46Å; V64-Y68 VanDerWaalsContact O-N 3.13Å; V64-L77 HydrophobicContact CG2-CB 4.15Å; V64-L77 HydrophobicContact CG2-CD1 4.01Å; V64-L77 HydrophobicContact CG2-CD2 4Å; V64-L77 HydrophobicContact CG2-CG 4.28Å; V64-L99 HydrophobicContact CG2-CD1 4.44Å
65R98.2Very high97.7Very high40 Ų4041.7 Ų41.715%0.15122%0.221CC..Hα-helixtrans-59.4-48.8176.6177-178.153.668.92.2111.2G52 E54 E57 G61 A62 V67 Y68 E69G52-R65 PolarHBondContact O-NH2 2.86Å; E54-R65 IonicContact OE1-CZ 2.79Å; E54-R65 IonicContact OE1-NE 3.5Å; E54-R65 IonicContact OE1-NH1 2.85Å; E57-R65 IonicContact OE1-CZ 3.89Å; E57-R65 IonicContact OE1-NE 2.61Å; E57-R65 PolarHBondContact OE1-NE 2.83Å; E57-R65 IonicContact OE1-NH2 3.97Å; E57-R65 PolarHBondContact OE1-NH2 3.43Å; E57-R65 IonicContact OE2-CZ 2.99Å; E57-R65 IonicContact OE2-NE 3.35Å; E57-R65 IonicContact OE2-NH2 3.15Å; E57-R65 PolarHBondContact OE2-NH2 3.06Å; G61-R65 PolarHBondContact O-N 3.06Å; A62-R65 PolarHBondContact O-N 3.24Å; R65-V67 PolarHBondContact O-N 3.46Å; R65-Y68 WeakPolarHBondContact O-CB 3.47Å; R65-Y68 PolarHBondContact O-N 3.44Å; R65-E69 HydrophobicContact CG-CG 4.31Å; R65-E69 WeakPolarHBondContact CG-OE1 3.37Å; R65-E69 IonicContact NH1-OE1 3.3Å; R65-E69 IonicContact NH1-OE2 2.69Å; R65-E69 PolarHBondContact NH1-OE2 3.42Å; R65-E69 VanDerWaalsContact O-CG 3.31Å; R65-E69 WeakPolarHBondContact O-CG 3.37Å; R65-E69 PolarHBondContact O-N 3.38Å
66E98.3Very high97.9Very high1 Ų144.6 Ų44.61%0.00523%0.226CC..Hα-helixtrans-64.3-39.4-176.5-72-74172.500112.3Q8 G51 G52 A62 A63 Y68 E69 E70Q8-E66 PolarHBondContact NE2-OE1 3.25Å; G51-E66 WeakPolarHBondContact CA-OE1 3.36Å; G51-E66 WeakPolarHBondContact CA-OE2 3.15Å; G51-E66 PolarHBondContact N-OE2 2.85Å; G52-E66 PolarHBondContact N-OE1 2.8Å; A62-E66 WeakPolarHBondContact O-CB 3.43Å; A62-E66 WeakPolarHBondContact O-CG 3.41Å; A62-E66 PolarHBondContact O-N 2.92Å; A63-E66 PolarHBondContact O-N 3.24Å; E66-Y68 VanDerWaalsContact C-N 3.33Å; E66-Y68 PolarHBondContact O-N 2.99Å; E66-E69 PolarHBondContact O-N 3.36Å; E66-E70 VanDerWaalsContact O-CB 3.28Å; E66-E70 WeakPolarHBondContact O-CB 3.49Å; E66-E70 VanDerWaalsContact O-CG 3.27Å; E66-E70 WeakPolarHBondContact O-CG 3.37Å; E66-E70 PolarHBondContact O-N 2.99Å
67V98.4Very high98.2Very high1 Ų137.9 Ų37.91%0.00620%0.196CC..Hα-helixtrans-71.5-29.9176.6-59.40000113.1C23 P49 A63 V64 R65 A71 G72 V73 L99C23-V67 HydrophobicContact CB-CG1 3.75Å; P49-V67 HydrophobicContact CB-CG1 4.18Å; P49-V67 HydrophobicContact CG-CG1 3.95Å; A63-V67 WeakPolarHBondContact O-CG1 3.27Å; A63-V67 PolarHBondContact O-N 2.79Å; A63-V67 VanDerWaalsContact O-N 3.15Å; V64-V67 VanDerWaalsContact O-CG2 3.28Å; V64-V67 WeakPolarHBondContact O-CG2 3.44Å; R65-V67 PolarHBondContact O-N 3.46Å; V67-A71 CarbonylContact O-C 3.12Å; V67-A71 WeakPolarHBondContact O-CA 3.46Å; V67-A71 WeakPolarHBondContact O-CB 3.31Å; V67-A71 PolarHBondContact O-N 2.88Å; V67-G72 PolarHBondContact O-N 2.95Å; V67-G72 VanDerWaalsContact O-N 3.11Å; V67-V73 HydrophobicContact CB-CG2 4.12Å; V67-V73 HydrophobicContact CG2-CG2 4.24Å; V67-L99 HydrophobicContact CG2-CD1 4.12Å
68Y98.4Very high98.3Very high108 Ų10838 Ų3842%0.42421%0.207SC..Hα-helixtrans-63.1-48.7171.5-179.9-93.5000110.7V64 R65 E66 G72 K74 L105V64-Y68 WeakPolarHBondContact O-CB 3.46Å; V64-Y68 PolarHBondContact O-N 3.46Å; V64-Y68 VanDerWaalsContact O-N 3.13Å; R65-Y68 WeakPolarHBondContact O-CB 3.47Å; R65-Y68 PolarHBondContact O-N 3.44Å; E66-Y68 VanDerWaalsContact C-N 3.33Å; E66-Y68 PolarHBondContact O-N 2.99Å; Y68-G72 VanDerWaalsContact O-CA 3.24Å; Y68-G72 WeakPolarHBondContact O-CA 2.98Å; Y68-G72 PolarHBondContact O-N 3.33Å; Y68-K74 HydrophobicContact CD2-CG 3.97Å; Y68-K74 HydrophobicContact CE2-CD 4.46Å; Y68-K74 HydrophobicContact CE2-CG 4.28Å; Y68-L105 HydrophobicContact CD2-CD1 4.12Å; Y68-L105 HydrophobicContact CE2-CD1 3.51Å
69E97.3Very high98.3Very high21 Ų2136.6 Ų36.610%0.09820%0.196CC..Hα-helixtrans-71.6-40.3-178.5-66.7170.4166.300113.7K5 R65 E66 W108 D110K5-E69 IonicContact NZ-OE1 2.86Å; K5-E69 PolarHBondContact NZ-OE1 3.13Å; K5-E69 VanDerWaalsContact NZ-OE1 3.13Å; K5-E69 IonicContact NZ-OE2 3.62Å; K5-E69 PolarHBondContact NZ-OE2 2.98Å; R65-E69 HydrophobicContact CG-CG 4.31Å; R65-E69 WeakPolarHBondContact CG-OE1 3.37Å; R65-E69 IonicContact NH1-OE1 3.3Å; R65-E69 IonicContact NH1-OE2 2.69Å; R65-E69 PolarHBondContact NH1-OE2 3.42Å; R65-E69 VanDerWaalsContact O-CG 3.31Å; R65-E69 WeakPolarHBondContact O-CG 3.37Å; R65-E69 PolarHBondContact O-N 3.38Å; E66-E69 PolarHBondContact O-N 3.36Å; E69-W108 VanDerWaalsContact O-CD1 3.25Å; E69-D110 VanDerWaalsContact O-CB 3.29Å; E69-D110 WeakPolarHBondContact O-CB 2.99Å; E69-D110 PolarHBondContact O-N 3.06Å; E69-D110 VanDerWaalsContact O-N 3.07Å
70E98.2Very high98.3Very high12 Ų1239.4 Ų39.46%0.05621%0.209CC..Hα-helixtrans-91.3-34.3-173.4-59.5-138.5143.600113.2K3 P49 E66 W108 R116K3-E70 IonicContact NZ-OE1 3.35Å; K3-E70 PolarHBondContact NZ-OE1 3.24Å; P49-E70 HydrophobicContact CB-CB 4.11Å; E66-E70 VanDerWaalsContact O-CB 3.28Å; E66-E70 WeakPolarHBondContact O-CB 3.49Å; E66-E70 VanDerWaalsContact O-CG 3.27Å; E66-E70 WeakPolarHBondContact O-CG 3.37Å; E66-E70 PolarHBondContact O-N 2.99Å; E70-W108 VanDerWaalsContact C-NE1 3.34Å; E70-W108 PolarHBondContact O-NE1 3.09Å; E70-R116 WeakPolarHBondContact O-CD 3.48Å; E70-R116 IonicContact OE1-CZ 2.8Å; E70-R116 IonicContact OE1-NH1 2.75Å; E70-R116 IonicContact OE1-NH2 2.92Å; E70-R116 PolarHBondContact OE1-NH2 3.24Å; E70-R116 IonicContact OE2-CZ 2.81Å; E70-R116 IonicContact OE2-NH1 3.19Å; E70-R116 PolarHBondContact OE2-NH1 2.96Å; E70-R116 IonicContact OE2-NH2 3.86Å; E70-R116 PolarHBondContact OE2-NH2 2.91Å
71A98.3Very high98.3Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-116.8-9.8-173.700000113.5L35 V37 P49 V67 V73 R118L35-A71 HydrophobicContact CD2-CB 3.99Å; V37-A71 HydrophobicContact CG1-CB 3.58Å; P49-A71 HydrophobicContact CB-CB 4.19Å; P49-A71 HydrophobicContact CG-CB 4.29Å; V67-A71 CarbonylContact O-C 3.12Å; V67-A71 WeakPolarHBondContact O-CA 3.46Å; V67-A71 WeakPolarHBondContact O-CB 3.31Å; V67-A71 PolarHBondContact O-N 2.88Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 HydrophobicContact CB-CG2 4.13Å; A71-V73 PolarHBondContact O-N 3.42Å; A71-R118 WeakPolarHBondContact O-CD 3.31Å; A71-R118 PolarHBondContact O-NH1 3.47Å
72G98.6Very high98.2Very high0 Ų038.5 Ų38.50%019%0.194CC..  trans63.538.2179.200000112.7V67 Y68 L105 W108 R118V67-G72 PolarHBondContact O-N 2.95Å; V67-G72 VanDerWaalsContact O-N 3.11Å; Y68-G72 VanDerWaalsContact O-CA 3.24Å; Y68-G72 WeakPolarHBondContact O-CA 2.98Å; Y68-G72 PolarHBondContact O-N 3.33Å; G72-L105 WeakPolarHBondContact O-CB 3.08Å; G72-L105 WeakPolarHBondContact O-CG 3.34Å; G72-L105 PolarHBondContact O-N 2.93Å; G72-W108 VanDerWaalsContact CA-CG 3.47Å; G72-R118 PolarHBondContact O-NH1 3.39Å; G72-R118 VanDerWaalsContact O-NH1 3.09Å
73V98.7Very high98.2Very high1 Ų142.4 Ų42.41%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-124.1149-179.8-620000111.9L35 V67 A71 V101 E103 I104L35-V73 HydrophobicContact CD2-CG1 3.57Å; L35-V73 HydrophobicContact CD2-CG2 4.45Å; V67-V73 HydrophobicContact CB-CG2 4.12Å; V67-V73 HydrophobicContact CG2-CG2 4.24Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 HydrophobicContact CB-CG2 4.13Å; A71-V73 PolarHBondContact O-N 3.42Å; V73-V101 HydrophobicContact CB-CG1 4.05Å; V73-V101 HydrophobicContact CB-CG2 4.24Å; V73-V101 HydrophobicContact CG1-CG1 4.08Å; V73-V101 HydrophobicContact CG1-CG2 4.45Å; V73-V101 HydrophobicContact CG2-CG2 4.25Å; V73-E103 WeakPolarHBondContact CA-O 3.32Å; V73-I104 HydrophobicContact CG1-CG1 4.25Å
74K98.6Very high98.1Very high80 Ų8043.3 Ų43.335%0.34822%0.218SC..EExtended strand (participates in β ladder)trans-119.4156.9164.2-51.4-177.7-160.8137.40109.3Y68 T102 E103Y68-K74 HydrophobicContact CD2-CG 3.97Å; Y68-K74 HydrophobicContact CE2-CD 4.46Å; Y68-K74 HydrophobicContact CE2-CG 4.28Å; K74-T102 PolarHBondContact O-N 3.13Å; K74-T102 PolarHBondContact O-OG1 3.15Å; K74-E103 HydrophobicContact CB-CB 4.13Å; K74-E103 WeakPolarHBondContact CD-OE2 3.24Å; K74-E103 PolarHBondContact N-O 3.37Å; K74-E103 VanDerWaalsContact NZ-CD 3.28Å; K74-E103 IonicContact NZ-OE1 3.62Å; K74-E103 PolarHBondContact NZ-OE1 3.49Å; K74-E103 IonicContact NZ-OE2 2.76Å; K74-E103 PolarHBondContact NZ-OE2 2.94Å; K74-E103 PolarHBondContact O-N 2.81Å; K74-E103 VanDerWaalsContact O-N 3.12Å
75G98.1Very high97.8Very high26 Ų2644.5 Ų44.527%0.26822%0.22SC..EExtended strand (participates in β ladder)trans-172.9179-178.600000113.6L77 T100 T102G75-L77 PolarHBondContact O-N 2.85Å; G75-T100 CarbonylContact C-O 3.49Å; G75-T100 WeakPolarHBondContact CA-O 3.28Å; G75-T102 WeakPolarHBondContact CA-OG1 3.37Å
76K98.6Very high97.3Very high133 Ų13345.3 Ų45.358%0.57823%0.226SC*.EExtended strand (participates in β ladder)trans-80.9110.5172.5-177.5-178.8172.5-169.20108.3E29 G78 T100E29-K76 IonicContact OE1-NZ 3.75Å; K76-G78 PolarHBondContact O-N 2.9Å; K76-T100 PolarHBondContact N-O 2.91Å; K76-T100 PolarHBondContact O-N 2.69Å
77L98.7Very high96.3Very high63 Ų6349.8 Ų49.833%0.3325%0.249SC..EExtended strand (participates in β ladder)trans-65127172-171.568.6000109.2V64 G75 Y97 L99V64-L77 HydrophobicContact CG2-CB 4.15Å; V64-L77 HydrophobicContact CG2-CD1 4.01Å; V64-L77 HydrophobicContact CG2-CD2 4Å; V64-L77 HydrophobicContact CG2-CG 4.28Å; G75-L77 PolarHBondContact O-N 2.85Å; L77-Y97 HydrophobicContact CD1-CD1 4.13Å; L77-Y97 HydrophobicContact CD1-CG 4Å; L77-Y97 HydrophobicContact CD2-CD1 4.35Å; L77-Y97 HydrophobicContact CG-CD1 4.28Å; L77-L99 HydrophobicContact CD1-CD1 4.39Å
78G97.9Very high94.9Very high38 Ų3858.4 Ų58.439%0.39229%0.29SS..EExtended strand (participates in β ladder)trans-104.9-146.8-179.400000112.4K76 V98K76-G78 PolarHBondContact O-N 2.9Å; G78-V98 WeakPolarHBondContact CA-O 3.37Å; G78-V98 PolarHBondContact N-O 2.83Å
79R97.6Very high93.3Very high115 Ų11560 Ų6043%0.43431%0.306SS..EExtended strand (participates in β ladder)trans-67.2150.9-176.569.6-171.8-179.2-73.61.8112.4E31 L81 Y97 V98 L144E31-R79 IonicContact OE1-CZ 3.54Å; E31-R79 IonicContact OE1-NH1 2.69Å; E31-R79 PolarHBondContact OE1-NH1 3.2Å; E31-R79 IonicContact OE1-NH2 3.36Å; E31-R79 PolarHBondContact OE1-NH2 3.36Å; E31-R79 IonicContact OE2-CZ 3.68Å; E31-R79 IonicContact OE2-NH1 3.58Å; E31-R79 IonicContact OE2-NH2 3.44Å; E31-R79 PolarHBondContact OE2-NH2 2.87Å; R79-L81 PolarHBondContact O-N 3.47Å; R79-Y97 WeakPolarHBondContact O-CA 3.32Å; R79-V98 HydrophobicContact CG-CB 4.39Å; R79-V98 HydrophobicContact CG-CG2 4.15Å; R79-V98 PolarHBondContact O-N 3.13Å; R79-L144 VanDerWaalsContact NH2-CD1 3.31Å
80L98.3Very high92.2Very high77 Ų7765.6 Ų65.640%0.40333%0.326SS..EExtended strand (participates in β ladder)trans-69.7116.6159.8177.168.4000108Y95 V96 Y97L80-Y95 HydrophobicContact CD1-CD1 4.39Å; L80-V96 WeakPolarHBondContact CD1-O 3.47Å; L80-Y97 HydrophobicContact CB-CD1 4.1Å; L80-Y97 HydrophobicContact CB-CE1 3.73Å; L80-Y97 HydrophobicContact CD1-CD1 4.44Å; L80-Y97 HydrophobicContact CD1-CD2 4.03Å; L80-Y97 HydrophobicContact CD1-CE1 4.13Å; L80-Y97 HydrophobicContact CD1-CE2 3.68Å; L80-Y97 HydrophobicContact CD1-CG 4.4Å
81L97.7Very high91.9Very high23 Ų2370.2 Ų70.212%0.1235%0.346CS..EExtended strand (participates in β ladder)trans-74.7-34.3175.7-177.462.7000111.4L24 R79 V96 Y140 K143 L144L24-L81 HydrophobicContact CD1-CD2 3.59Å; R79-L81 PolarHBondContact O-N 3.47Å; L81-V96 WeakPolarHBondContact CB-O 3.44Å; L81-V96 HydrophobicContact CD2-CG1 4.31Å; L81-V96 PolarHBondContact N-O 3.42Å; L81-Y140 VanDerWaalsContact CD2-O 3.28Å; L81-Y140 WeakPolarHBondContact CD2-O 3.02Å; L81-K143 HydrophobicContact CG-CD 4.43Å; L81-K143 WeakPolarHBondContact O-CE 3.29Å; L81-K143 PolarHBondContact O-NZ 3.21Å; L81-L144 HydrophobicContact CD1-CD1 4.11Å; L81-L144 HydrophobicContact CD2-CB 4.47Å; L81-L144 HydrophobicContact CD2-CD1 4.34Å
82G97.4Very high91.7Very high10 Ų1071.2 Ų71.210%0.10335%0.35CS..EExtended strand (participates in β ladder)trans160.4-176.2173.800000113.3V96G82-V96 PolarHBondContact N-O 2.97Å; G82-V96 PolarHBondContact O-N 3.5Å
83I97.4Very high91.6Very high82 Ų8272.9 Ų72.942%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-111.9126.2174.9-55.2173.9000107R93 T94 Y95I83-R93 HydrophobicContact CG2-CG 3.35Å; I83-T94 WeakPolarHBondContact CA-O 3.18Å; I83-Y95 HydrophobicContact CD1-CD1 3.91Å; I83-Y95 HydrophobicContact CD1-CE1 3.45Å; I83-Y95 VanDerWaalsContact CD1-CE1 3.45Å; I83-Y95 HydrophobicContact CG1-CD1 3.75Å; I83-Y95 HydrophobicContact CG1-CE1 3.84Å; I83-Y95 HydrophobicContact CG1-CG 4.35Å
84F95.8Very high91.6Very high20 Ų2073 Ų739%0.08836%0.358CS..EExtended strand (participates in β ladder)trans-119.9136.6-175.2-64.5-101.5000110.6R93 T94 V96 V136 E139 Y140 K143F84-R93 WeakPolarHBondContact O-CA 3.33Å; F84-T94 PolarHBondContact N-O 3.41Å; F84-T94 PolarHBondContact O-N 2.97Å; F84-V96 HydrophobicContact CD2-CB 3.98Å; F84-V96 HydrophobicContact CD2-CG2 3.51Å; F84-V96 HydrophobicContact CE2-CB 3.86Å; F84-V96 HydrophobicContact CE2-CG2 3.86Å; F84-V96 HydrophobicContact CG-CG2 4.44Å; F84-V136 HydrophobicContact CB-CG1 4.45Å; F84-E139 HydrophobicContact CE1-CB 4.48Å; F84-Y140 HydrophobicContact CB-CD1 4.13Å; F84-Y140 HydrophobicContact CB-CE1 3.43Å; F84-Y140 VanDerWaalsContact CB-CE1 3.43Å; F84-Y140 AromaticContact CD1-CD1 3.48Å; F84-Y140 HydrophobicContact CD1-CD1 3.48Å; F84-Y140 VanDerWaalsContact CD1-CD1 3.48Å; F84-Y140 AromaticContact CD1-CE1 3.67Å; F84-Y140 HydrophobicContact CD1-CE1 3.67Å; F84-Y140 AromaticContact CD2-CD1 3.66Å; F84-Y140 HydrophobicContact CD2-CD1 3.66Å; F84-Y140 AromaticContact CD2-CE1 3.72Å; F84-Y140 HydrophobicContact CD2-CE1 3.72Å; F84-Y140 AromaticContact CE1-CD1 3.61Å; F84-Y140 HydrophobicContact CE1-CD1 3.61Å; F84-Y140 HydrophobicContact CE1-CE1 4.27Å; F84-Y140 AromaticContact CE2-CD1 3.78Å; F84-Y140 HydrophobicContact CE2-CD1 3.78Å; F84-Y140 HydrophobicContact CE2-CE1 4.32Å; F84-Y140 HydrophobicContact CE2-CG 4.45Å; F84-Y140 AromaticContact CG-CD1 3.49Å; F84-Y140 HydrophobicContact CG-CD1 3.49Å; F84-Y140 VanDerWaalsContact CG-CD1 3.49Å; F84-Y140 AromaticContact CG-CE1 3.33Å; F84-Y140 HydrophobicContact CG-CE1 3.33Å; F84-Y140 AromaticContact CZ-CD1 3.74Å; F84-Y140 HydrophobicContact CZ-CD1 3.74Å; F84-Y140 HydrophobicContact CZ-CG 4.43Å; F84-K143 HydrophobicContact CE1-CB 4.37Å; F84-K143 HydrophobicContact CE1-CD 3.97Å; F84-K143 HydrophobicContact CE2-CD 4.35Å; F84-K143 HydrophobicContact CZ-CB 4.11Å; F84-K143 HydrophobicContact CZ-CD 3.46Å; F84-K143 VanDerWaalsContact CZ-CD 3.46Å; F84-K143 HydrophobicContact CZ-CG 4.42Å
85E93.9Very high91.6Very high84 Ų8471.8 Ų71.839%0.39335%0.351SS..EExtended strand (participates in β ladder)trans-110.1137.1-175.6-65.5-174.2174.300111.7F17 H92 R93F17-E85 HydrophobicContact CE1-CB 4.31Å; F17-E85 HydrophobicContact CE1-CG 4.32Å; E85-H92 CarbonylContact C-O 3.58Å; E85-H92 WeakPolarHBondContact CA-O 3.38Å; E85-R93 HydrophobicContact CG-CG 4.28Å; E85-R93 IonicContact OE1-CZ 3.6Å; E85-R93 IonicContact OE1-NE 3.27Å; E85-R93 PolarHBondContact OE1-NE 2.93Å; E85-R93 IonicContact OE1-NH2 3.13Å; E85-R93 PolarHBondContact OE1-NH2 2.94Å
86Q87.6Confident91.6Very high57 Ų5770.5 Ų70.527%0.26634%0.338SS..EExtended strand (participates in β ladder)trans-120.799.2172.7-170.3173.636.500109.5K91 H92 V136Q86-K91 WeakPolarHBondContact O-CA 3.18Å; Q86-K91 PolarHBondContact O-N 3.25Å; Q86-H92 HydrophobicContact CB-CB 4.26Å; Q86-H92 PolarHBondContact N-O 3.48Å; Q86-H92 PolarHBondContact O-N 3.21Å; Q86-H92 VanDerWaalsContact O-N 3.11Å; Q86-V136 HydrophobicContact CB-CG2 4.34Å; Q86-V136 HydrophobicContact CG-CG2 4.09Å
87N76.4Confident91.6Very high94 Ų9466 Ų6650%0.50332%0.317SS..  trans-91.7-26.7-167.3-69.7-17.2000114.7F17 D89F17-N87 WeakPolarHBondContact CE1-OD1 3.24Å; F17-N87 WeakPolarHBondContact CZ-OD1 3.42Å; N87-D89 PolarHBondContact O-N 3.12Å
88Q68.4Low91.6Very high182 Ų18263.1 Ų63.185%0.8530%0.303SS*.SBendtrans-68.3-41.4-165.1-70.4-1794.100113.8
89D66.3Low91.6Very high142 Ų14261.3 Ų61.376%0.75928%0.284SS*.SBendtrans-126.8-21-170.9-66.8-40000115.6N87N87-D89 PolarHBondContact O-N 3.12Å
90R74.1Confident91.7Very high138 Ų13857 Ų5752%0.52127%0.271SS..SBendtrans-140.8-3.8-164.4-62.5-165.4170.1149.47.2116.5R41 H92R41-R90 VanDerWaalsContact NH1-NH2 3.11Å; R90-H92 WeakPolarHBondContact CB-NE2 3.28Å; R90-H92 PolarHBondContact O-CD2 3.41Å; R90-H92 PolarHBondContact O-N 2.76Å
91K91.2Very high91.7Very high109 Ų10954.2 Ų54.247%0.47426%0.257SS..  trans40.968.7-174.8-71.2-169.8168.8-168.10111.6F17 K18 Q86F17-K91 CarbonylContact C-O 3.58Å; F17-K91 VanDerWaalsContact CA-O 3.24Å; F17-K91 WeakPolarHBondContact CA-O 3.31Å; F17-K91 VanDerWaalsContact CD1-C 3.48Å; F17-K91 HydrophobicContact CD1-CB 4.02Å; F17-K91 HydrophobicContact CE1-CB 4.35Å; F17-K91 HydrophobicContact CG-CB 4.23Å; K18-K91 PolarHBondContact N-O 3.11Å; Q86-K91 WeakPolarHBondContact O-CA 3.18Å; Q86-K91 PolarHBondContact O-N 3.25Å
92H94.6Very high91.8Very high21 Ų2158.1 Ų58.110%0.09728%0.282CS..EExtended strand (participates in β ladder)trans-104.3138.4176.2-65163.7000110.4E85 Q86 R90E85-H92 CarbonylContact C-O 3.58Å; E85-H92 WeakPolarHBondContact CA-O 3.38Å; Q86-H92 HydrophobicContact CB-CB 4.26Å; Q86-H92 PolarHBondContact N-O 3.48Å; Q86-H92 PolarHBondContact O-N 3.21Å; Q86-H92 VanDerWaalsContact O-N 3.11Å; R90-H92 WeakPolarHBondContact CB-NE2 3.28Å; R90-H92 PolarHBondContact O-CD2 3.41Å; R90-H92 PolarHBondContact O-N 2.76Å
93R96.6Very high91.8Very high36 Ų3661.4 Ų61.414%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-121.9110.6170.7-172.7173-77.9163.9-8.2108D13 E15 F17 K18 R20 I83 F84 E85D13-R93 IonicContact OD2-CZ 2.78Å; D13-R93 IonicContact OD2-NE 2.85Å; D13-R93 IonicContact OD2-NH1 2.89Å; D13-R93 PolarHBondContact OD2-NH1 2.94Å; E15-R93 IonicContact OE1-CZ 3.43Å; E15-R93 IonicContact OE1-NH1 2.82Å; E15-R93 PolarHBondContact OE1-NH1 3.49Å; E15-R93 IonicContact OE1-NH2 3.73Å; E15-R93 PolarHBondContact OE1-NH2 2.99Å; E15-R93 IonicContact OE2-NH2 3.05Å; F17-R93 HydrophobicContact CB-CB 3.89Å; F17-R93 HydrophobicContact CD1-CB 4.03Å; F17-R93 HydrophobicContact CG-CB 4.26Å; K18-R93 PolarHBondContact O-N 3.37Å; R20-R93 PolarHBondContact N-O 2.69Å; I83-R93 HydrophobicContact CG2-CG 3.35Å; F84-R93 WeakPolarHBondContact O-CA 3.33Å; E85-R93 HydrophobicContact CG-CG 4.28Å; E85-R93 IonicContact OE1-CZ 3.6Å; E85-R93 IonicContact OE1-NE 3.27Å; E85-R93 PolarHBondContact OE1-NE 2.93Å; E85-R93 IonicContact OE1-NH2 3.13Å; E85-R93 PolarHBondContact OE1-NH2 2.94Å
94T98Very high91.9Very high4 Ų461.6 Ų61.63%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-110.9120.2-169.3-48.70000110.7R20 A22 I83 F84 V96R20-T94 HydrophobicContact CB-CG2 3.98Å; R20-T94 CarbonylContact O-C 3.57Å; R20-T94 WeakPolarHBondContact O-CA 3.43Å; A22-T94 HydrophobicContact CB-CG2 3.91Å; I83-T94 WeakPolarHBondContact CA-O 3.18Å; F84-T94 PolarHBondContact N-O 3.41Å; F84-T94 PolarHBondContact O-N 2.97Å; T94-V96 HydrophobicContact CG2-CG2 4.01Å
95Y98.5Very high92Very high53 Ų5362.2 Ų62.221%0.20830%0.299CS..EExtended strand (participates in β ladder)trans-79.8117.7168.7-64-104.1000108.4R20 A21 A22 M53 P59 L80 I83R20-Y95 WeakPolarHBondContact O-CD2 3.49Å; R20-Y95 PolarHBondContact O-N 3.35Å; A21-Y95 CarbonylContact C-O 3.55Å; A21-Y95 VanDerWaalsContact CA-O 3.29Å; A21-Y95 WeakPolarHBondContact CA-O 3.47Å; A22-Y95 PolarHBondContact N-O 2.76Å; M53-Y95 HydrophobicContact SD-CD2 3.94Å; M53-Y95 HydrophobicContact SD-CE2 4.08Å; P59-Y95 HydrophobicContact CB-CD1 3.73Å; P59-Y95 HydrophobicContact CB-CD2 4.09Å; P59-Y95 HydrophobicContact CB-CE1 4.32Å; P59-Y95 HydrophobicContact CB-CG 3.61Å; P59-Y95 HydrophobicContact CG-CD1 3.86Å; P59-Y95 HydrophobicContact CG-CD2 4.3Å; P59-Y95 HydrophobicContact CG-CE1 3.93Å; P59-Y95 HydrophobicContact CG-CE2 4.39Å; P59-Y95 HydrophobicContact CG-CG 4.06Å; L80-Y95 HydrophobicContact CD1-CD1 4.39Å; I83-Y95 HydrophobicContact CD1-CD1 3.91Å; I83-Y95 HydrophobicContact CD1-CE1 3.45Å; I83-Y95 VanDerWaalsContact CD1-CE1 3.45Å; I83-Y95 HydrophobicContact CG1-CD1 3.75Å; I83-Y95 HydrophobicContact CG1-CE1 3.84Å; I83-Y95 HydrophobicContact CG1-CG 4.35Å
96V98.7Very high92Very high0 Ų066.2 Ų66.20%032%0.318CS..EExtended strand (participates in β ladder)trans-110.5118.8-176.5-1780000109.3A22 L24 L80 L81 G82 F84 T94 Y140A22-V96 HydrophobicContact CB-CG2 4.47Å; A22-V96 WeakPolarHBondContact O-CA 3.35Å; L24-V96 HydrophobicContact CG-CG1 4.12Å; L80-V96 WeakPolarHBondContact CD1-O 3.47Å; L81-V96 WeakPolarHBondContact CB-O 3.44Å; L81-V96 HydrophobicContact CD2-CG1 4.31Å; L81-V96 PolarHBondContact N-O 3.42Å; G82-V96 PolarHBondContact N-O 2.97Å; G82-V96 PolarHBondContact O-N 3.5Å; F84-V96 HydrophobicContact CD2-CB 3.98Å; F84-V96 HydrophobicContact CD2-CG2 3.51Å; F84-V96 HydrophobicContact CE2-CB 3.86Å; F84-V96 HydrophobicContact CE2-CG2 3.86Å; F84-V96 HydrophobicContact CG-CG2 4.44Å; T94-V96 HydrophobicContact CG2-CG2 4.01Å; V96-Y140 HydrophobicContact CG1-CD2 4.04Å; V96-Y140 HydrophobicContact CG1-CG 4.16Å; V96-Y140 HydrophobicContact CG2-CD1 4Å; V96-Y140 HydrophobicContact CG2-CD2 3.87Å; V96-Y140 HydrophobicContact CG2-CE1 3.86Å; V96-Y140 HydrophobicContact CG2-CE2 3.71Å; V96-Y140 HydrophobicContact CG2-CG 4.03Å
97Y98.7Very high92.4Very high37 Ų3769 Ų6915%0.14534%0.335CS..EExtended strand (participates in β ladder)trans-103.8162176.4-72.5-97.5000111.6A22 C23 L24 P59 A63 L77 R79 L80A22-Y97 PolarHBondContact O-N 3.21Å; C23-Y97 CarbonylContact C-O 3.52Å; C23-Y97 WeakPolarHBondContact CA-O 3.11Å; L24-Y97 PolarHBondContact N-O 2.91Å; P59-Y97 HydrophobicContact CB-CE2 4.04Å; A63-Y97 HydrophobicContact CB-CD2 3.9Å; L77-Y97 HydrophobicContact CD1-CD1 4.13Å; L77-Y97 HydrophobicContact CD1-CG 4Å; L77-Y97 HydrophobicContact CD2-CD1 4.35Å; L77-Y97 HydrophobicContact CG-CD1 4.28Å; R79-Y97 WeakPolarHBondContact O-CA 3.32Å; L80-Y97 HydrophobicContact CB-CD1 4.1Å; L80-Y97 HydrophobicContact CB-CE1 3.73Å; L80-Y97 HydrophobicContact CD1-CD1 4.44Å; L80-Y97 HydrophobicContact CD1-CD2 4.03Å; L80-Y97 HydrophobicContact CD1-CE1 4.13Å; L80-Y97 HydrophobicContact CD1-CE2 3.68Å; L80-Y97 HydrophobicContact CD1-CG 4.4Å
98V98.5Very high93.4Very high3 Ų365.6 Ų65.62%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-93.2139163.8173.80000108.4F26 E31 G78 R79 L144F26-V98 HydrophobicContact CD2-CG1 3.74Å; F26-V98 HydrophobicContact CE2-CG1 3.85Å; F26-V98 HydrophobicContact CE2-CG2 4.27Å; E31-V98 WeakPolarHBondContact OE1-CG1 3.19Å; G78-V98 WeakPolarHBondContact CA-O 3.37Å; G78-V98 PolarHBondContact N-O 2.83Å; R79-V98 HydrophobicContact CG-CB 4.39Å; R79-V98 HydrophobicContact CG-CG2 4.15Å; R79-V98 PolarHBondContact O-N 3.13Å; V98-L144 HydrophobicContact CG2-CD1 4.13Å
99L98.7Very high94.6Very high1 Ų160.5 Ų60.51%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-136126.2173.9180143.2000109.9C23 L24 C25 F26 V64 V67 L77 V101C23-L99 HydrophobicContact CB-CB 3.96Å; L24-L99 PolarHBondContact O-N 2.69Å; C25-L99 CarbonylContact C-O 3.49Å; C25-L99 WeakPolarHBondContact CA-O 3.27Å; C25-L99 HydrophobicContact CB-CD2 4.41Å; F26-L99 PolarHBondContact N-O 2.83Å; V64-L99 HydrophobicContact CG2-CD1 4.44Å; V67-L99 HydrophobicContact CG2-CD1 4.12Å; L77-L99 HydrophobicContact CD1-CD1 4.39Å; L99-V101 HydrophobicContact CD2-CG2 3.8Å
100T98.8Very high96Very high25 Ų2553.9 Ų53.915%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-89.4115.3172.1-53.60000108.6E29 G75 K76 T102E29-T100 HydrophobicContact CG-CG2 4.19Å; G75-T100 CarbonylContact C-O 3.49Å; G75-T100 WeakPolarHBondContact CA-O 3.28Å; K76-T100 PolarHBondContact N-O 2.91Å; K76-T100 PolarHBondContact O-N 2.69Å; T100-T102 PolarHBondContact O-N 2.96Å
101V98.8Very high97.1Very high17 Ų1749 Ų4910%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-68.8128.6-176.5176.70000109.9C25 F26 V73 L99 I104 W120C25-V101 HydrophobicContact CB-CG2 3.8Å; F26-V101 PolarHBondContact O-N 3.43Å; V73-V101 HydrophobicContact CB-CG1 4.05Å; V73-V101 HydrophobicContact CB-CG2 4.24Å; V73-V101 HydrophobicContact CG1-CG1 4.08Å; V73-V101 HydrophobicContact CG1-CG2 4.45Å; V73-V101 HydrophobicContact CG2-CG2 4.25Å; L99-V101 HydrophobicContact CD2-CG2 3.8Å; V101-I104 HydrophobicContact CG1-CD1 4.42Å; V101-I104 HydrophobicContact CG1-CG1 3.77Å; V101-W120 HydrophobicContact CB-CH2 4.06Å; V101-W120 HydrophobicContact CB-CZ2 4.44Å; V101-W120 HydrophobicContact CG1-CZ2 4.46Å; V101-W120 HydrophobicContact CG2-CH2 3.78Å; V101-W120 HydrophobicContact CG2-CZ2 4.4Å
102T98.6Very high97.3Very high106 Ų10648.5 Ų48.565%0.6525%0.249SC*.EExtended strand (participates in β ladder)trans-115.8-21.117760.10000112.5K74 G75 T100K74-T102 PolarHBondContact O-N 3.13Å; K74-T102 PolarHBondContact O-OG1 3.15Å; G75-T102 WeakPolarHBondContact CA-OG1 3.37Å; T100-T102 PolarHBondContact O-N 2.96Å
103E98.6Very high97.2Very high79 Ų7952.4 Ų52.437%0.36927%0.27SS..EExtended strand (participates in β ladder)trans-142.6137.6-179-169.7-172.3144.700109.7V73 K74 L105V73-E103 WeakPolarHBondContact CA-O 3.32Å; K74-E103 HydrophobicContact CB-CB 4.13Å; K74-E103 WeakPolarHBondContact CD-OE2 3.24Å; K74-E103 PolarHBondContact N-O 3.37Å; K74-E103 VanDerWaalsContact NZ-CD 3.28Å; K74-E103 IonicContact NZ-OE1 3.62Å; K74-E103 PolarHBondContact NZ-OE1 3.49Å; K74-E103 IonicContact NZ-OE2 2.76Å; K74-E103 PolarHBondContact NZ-OE2 2.94Å; K74-E103 PolarHBondContact O-N 2.81Å; K74-E103 VanDerWaalsContact O-N 3.12Å; E103-L105 VanDerWaalsContact OE1-CD2 3.23Å; E103-L105 WeakPolarHBondContact OE1-CD2 3.36Å
104I98.6Very high97.1Very high86 Ų8652.6 Ų52.644%0.44127%0.273SS..EExtended strand (participates in β ladder)trans-122.2117.6176.6-59.6179.5000107.3V73 V101 W120V73-I104 HydrophobicContact CG1-CG1 4.25Å; V101-I104 HydrophobicContact CG1-CD1 4.42Å; V101-I104 HydrophobicContact CG1-CG1 3.77Å; I104-W120 HydrophobicContact CD1-CZ2 4.11Å
105L98.4Very high97Very high32 Ų3254.8 Ų54.817%0.16830%0.297CS..  trans-80.7136177.2-58.1177.4000110.4Y68 G72 E103 R118Y68-L105 HydrophobicContact CD2-CD1 4.12Å; Y68-L105 HydrophobicContact CE2-CD1 3.51Å; G72-L105 WeakPolarHBondContact O-CB 3.08Å; G72-L105 WeakPolarHBondContact O-CG 3.34Å; G72-L105 PolarHBondContact O-N 2.93Å; E103-L105 VanDerWaalsContact OE1-CD2 3.23Å; E103-L105 WeakPolarHBondContact OE1-CD2 3.36Å; L105-R118 PolarHBondContact O-NH1 3.3Å; L105-R118 PolarHBondContact O-NH2 3Å
106E95.3Very high97Very high169 Ų16952.6 Ų52.679%0.7929%0.288SS*.SBendtrans-64.3-53.8176.1-173.3168.5-167.600111.2
107D95.5Very high96.9Very high115 Ų11558.9 Ų58.962%0.61532%0.316SS*.SBendtrans-105.9138.9173.1-64.6-53.5000110.9V112D107-V112 HydrophobicContact CB-CG2 4.23Å
108W97.3Very high96.9Very high22 Ų2259.9 Ų59.98%0.08332%0.319CS..  trans-147163.6176.373.699.9000111.2E69 E70 G72 D110 S111 V112 R116 R118E69-W108 VanDerWaalsContact O-CD1 3.25Å; E70-W108 VanDerWaalsContact C-NE1 3.34Å; E70-W108 PolarHBondContact O-NE1 3.09Å; G72-W108 VanDerWaalsContact CA-CG 3.47Å; W108-D110 PolarHBondContact O-N 2.87Å; W108-S111 VanDerWaalsContact CE2-CB 3.4Å; W108-S111 VanDerWaalsContact CE3-CB 3.44Å; W108-S111 WeakPolarHBondContact O-CB 3.08Å; W108-S111 PolarHBondContact O-N 3.07Å; W108-V112 PolarHBondContact O-N 3.11Å; W108-R116 WeakPolarHBondContact CZ2-O 3.45Å; W108-R118 HydrophobicContact CH2-CG 4.01Å; W108-R118 HydrophobicContact CZ2-CB 4.39Å; W108-R118 HydrophobicContact CZ2-CG 4.29Å
109E93.6Very high96.9Very high76 Ų7664.7 Ų64.736%0.35534%0.341SS..Hα-helixtrans-49.8-56.3-169.3-175.8-179.4112.200113.2K5 S111 V112 N113K5-E109 WeakPolarHBondContact CE-OE1 3.47Å; K5-E109 IonicContact NZ-OE1 3.72Å; K5-E109 PolarHBondContact NZ-OE1 3.04Å; E109-S111 VanDerWaalsContact C-N 3.35Å; E109-S111 PolarHBondContact O-N 2.83Å; E109-V112 PolarHBondContact O-N 3.45Å; E109-N113 VanDerWaalsContact CG-ND2 3.29Å; E109-N113 WeakPolarHBondContact CG-ND2 3.22Å; E109-N113 WeakPolarHBondContact O-CB 2.98Å; E109-N113 PolarHBondContact O-N 2.82Å; E109-N113 PolarHBondContact O-ND2 2.67Å
110D95.7Very high96.9Very high3 Ų367 Ų672%0.01635%0.35CS..Hα-helixtrans-72.5-25.2-177.7-84.713.2000113.1K3 E69 W108 I114 G115 R116K3-D110 WeakPolarHBondContact CD-OD2 3.21Å; K3-D110 WeakPolarHBondContact CE-OD1 3.17Å; K3-D110 WeakPolarHBondContact CE-OD2 3.46Å; K3-D110 VanDerWaalsContact NZ-CG 3.32Å; K3-D110 IonicContact NZ-OD1 2.69Å; K3-D110 PolarHBondContact NZ-OD1 3.21Å; K3-D110 IonicContact NZ-OD2 2.76Å; K3-D110 PolarHBondContact NZ-OD2 3.23Å; E69-D110 VanDerWaalsContact O-CB 3.29Å; E69-D110 WeakPolarHBondContact O-CB 2.99Å; E69-D110 PolarHBondContact O-N 3.06Å; E69-D110 VanDerWaalsContact O-N 3.07Å; W108-D110 PolarHBondContact O-N 2.87Å; D110-I114 HydrophobicContact CB-CD1 4.19Å; D110-I114 HydrophobicContact CB-CG1 4.06Å; D110-I114 WeakPolarHBondContact O-CG1 3.33Å; D110-I114 PolarHBondContact O-N 2.91Å; D110-I114 VanDerWaalsContact O-N 3.13Å; D110-G115 PolarHBondContact O-N 3.01Å; D110-R116 HydrophobicContact CB-CB 3.77Å; D110-R116 HydrophobicContact CB-CG 4.4Å; D110-R116 WeakPolarHBondContact O-CB 3.39Å; D110-R116 PolarHBondContact O-N 2.78Å; D110-R116 IonicContact OD2-CZ 2.83Å; D110-R116 IonicContact OD2-NE 3.66Å; D110-R116 PolarHBondContact OD2-NE 3.23Å; D110-R116 IonicContact OD2-NH2 3.38Å; D110-R116 PolarHBondContact OD2-NH2 2.81Å
111S95.8Very high96.9Very high34 Ų3467 Ų6724%0.23835%0.348CS..Hα-helixtrans-64.5-51.6172.1179.10000110.4W108 E109 G115W108-S111 VanDerWaalsContact CE2-CB 3.4Å; W108-S111 VanDerWaalsContact CE3-CB 3.44Å; W108-S111 WeakPolarHBondContact O-CB 3.08Å; W108-S111 PolarHBondContact O-N 3.07Å; E109-S111 VanDerWaalsContact C-N 3.35Å; E109-S111 PolarHBondContact O-N 2.83Å; S111-G115 WeakPolarHBondContact O-CA 3.48Å; S111-G115 PolarHBondContact O-N 2.87Å
112V95.3Very high96.9Very high100 Ų10072.3 Ų72.361%0.60637%0.369SS*.Hα-helixtrans-68.9-43.3-176.7177.60000111.2D107 W108 E109D107-V112 HydrophobicContact CB-CG2 4.23Å; W108-V112 PolarHBondContact O-N 3.11Å; E109-V112 PolarHBondContact O-N 3.45Å
113N94.4Very high96.9Very high102 Ų10267.2 Ų67.255%0.54534%0.338SS..Hα-helixtrans-81.7-33.9-171.3-68.5-25.2000113.8E109E109-N113 VanDerWaalsContact CG-ND2 3.29Å; E109-N113 WeakPolarHBondContact CG-ND2 3.22Å; E109-N113 WeakPolarHBondContact O-CB 2.98Å; E109-N113 PolarHBondContact O-N 2.82Å; E109-N113 PolarHBondContact O-ND2 2.67Å
114I94.5Very high96.8Very high40 Ų4067.7 Ų67.721%0.20534%0.341CS..Hα-helixtrans-132.84.6-173.666168000114K3 D110 R116K3-I114 HydrophobicContact CB-CD1 4.03Å; K3-I114 HydrophobicContact CD-CD1 4.41Å; K3-I114 HydrophobicContact CG-CD1 4.42Å; D110-I114 HydrophobicContact CB-CD1 4.19Å; D110-I114 HydrophobicContact CB-CG1 4.06Å; D110-I114 WeakPolarHBondContact O-CG1 3.33Å; D110-I114 PolarHBondContact O-N 2.91Å; D110-I114 VanDerWaalsContact O-N 3.13Å; I114-R116 VanDerWaalsContact C-N 3.3Å; I114-R116 HydrophobicContact CD1-CB 4.31Å; I114-R116 HydrophobicContact CG1-CB 4.09Å; I114-R116 PolarHBondContact O-N 3.11Å
115G95.4Very high96.8Very high50 Ų5066.7 Ų66.752%0.51534%0.336SS..  trans68.229.3-17900000113.1D110 S111 K117D110-G115 PolarHBondContact O-N 3.01Å; S111-G115 WeakPolarHBondContact O-CA 3.48Å; S111-G115 PolarHBondContact O-N 2.87Å; G115-K117 PolarHBondContact O-N 3.41Å
116R97.1Very high96.7Very high8 Ų865.2 Ų65.23%0.0333%0.328CS..  trans-65.2134.8179.4-172.5174-71.7-131.328.9110V37 S38 E70 W108 D110 I114V37-R116 HydrophobicContact CB-CG 4.13Å; V37-R116 VanDerWaalsContact CG2-NH1 3.31Å; S38-R116 PolarHBondContact O-NH1 2.93Å; E70-R116 WeakPolarHBondContact O-CD 3.48Å; E70-R116 IonicContact OE1-CZ 2.8Å; E70-R116 IonicContact OE1-NH1 2.75Å; E70-R116 IonicContact OE1-NH2 2.92Å; E70-R116 PolarHBondContact OE1-NH2 3.24Å; E70-R116 IonicContact OE2-CZ 2.81Å; E70-R116 IonicContact OE2-NH1 3.19Å; E70-R116 PolarHBondContact OE2-NH1 2.96Å; E70-R116 IonicContact OE2-NH2 3.86Å; E70-R116 PolarHBondContact OE2-NH2 2.91Å; W108-R116 WeakPolarHBondContact CZ2-O 3.45Å; D110-R116 HydrophobicContact CB-CB 3.77Å; D110-R116 HydrophobicContact CB-CG 4.4Å; D110-R116 WeakPolarHBondContact O-CB 3.39Å; D110-R116 PolarHBondContact O-N 2.78Å; D110-R116 IonicContact OD2-CZ 2.83Å; D110-R116 IonicContact OD2-NE 3.66Å; D110-R116 PolarHBondContact OD2-NE 3.23Å; D110-R116 IonicContact OD2-NH2 3.38Å; D110-R116 PolarHBondContact OD2-NH2 2.81Å; I114-R116 VanDerWaalsContact C-N 3.3Å; I114-R116 HydrophobicContact CD1-CB 4.31Å; I114-R116 HydrophobicContact CG1-CB 4.09Å; I114-R116 PolarHBondContact O-N 3.11Å
117K97.9Very high96.9Very high132 Ų13258.6 Ų58.657%0.57430%0.298SS*.  trans-100.8158.9177.2-58.8178.2-177.6176.90109.6V37 S38 W46 G115V37-K117 CarbonylContact C-O 3.27Å; V37-K117 WeakPolarHBondContact CA-O 3.37Å; V37-K117 WeakPolarHBondContact CB-O 3.34Å; S38-K117 PolarHBondContact N-O 3Å; S38-K117 PolarHBondContact OG-N 2.86Å; W46-K117 HydrophobicContact CH2-CB 4.23Å; W46-K117 HydrophobicContact CZ3-CB 4.43Å; G115-K117 PolarHBondContact O-N 3.41Å
118R98.3Very high96.9Very high58 Ų5859.2 Ų59.222%0.21930%0.295CS..EExtended strand (participates in β ladder)trans-136.9146.6171.271.8-172.2177.4-155.5-15.1109.9L35 L36 V37 A71 G72 L105 W108L35-R118 HydrophobicContact CD1-CB 4.14Å; L35-R118 HydrophobicContact CD1-CG 4.24Å; L35-R118 HydrophobicContact CD2-CB 4.48Å; L35-R118 HydrophobicContact CG-CB 4.34Å; L36-R118 CarbonylContact O-C 3.46Å; L36-R118 WeakPolarHBondContact O-CA 3.49Å; V37-R118 HydrophobicContact CG1-CB 4Å; A71-R118 WeakPolarHBondContact O-CD 3.31Å; A71-R118 PolarHBondContact O-NH1 3.47Å; G72-R118 PolarHBondContact O-NH1 3.39Å; G72-R118 VanDerWaalsContact O-NH1 3.09Å; L105-R118 PolarHBondContact O-NH1 3.3Å; L105-R118 PolarHBondContact O-NH2 3Å; W108-R118 HydrophobicContact CH2-CG 4.01Å; W108-R118 HydrophobicContact CZ2-CB 4.39Å; W108-R118 HydrophobicContact CZ2-CG 4.29Å
119E98.6Very high96.9Very high103 Ų10360.8 Ų60.848%0.48131%0.307SS..EExtended strand (participates in β ladder)trans-152.3147179.2-174.3169.9165.700110.5L36 W46 F121L36-E119 PolarHBondContact N-O 3.49Å; L36-E119 PolarHBondContact O-N 2.96Å; W46-E119 HydrophobicContact CH2-CB 3.54Å; W46-E119 HydrophobicContact CZ2-CB 4.08Å; W46-E119 WeakPolarHBondContact CZ2-OE2 3.18Å; W46-E119 HydrophobicContact CZ3-CB 3.94Å; E119-F121 HydrophobicContact CB-CD2 4.48Å; E119-F121 HydrophobicContact CB-CE2 3.69Å; E119-F121 HydrophobicContact CB-CZ 4.17Å; E119-F121 HydrophobicContact CG-CE2 3.96Å; E119-F121 HydrophobicContact CG-CZ 4.14Å; E119-F121 VanDerWaalsContact O-CD2 3.31Å; E119-F121 WeakPolarHBondContact O-CD2 3.5Å
120W98.8Very high97.1Very high50 Ų5057.1 Ų57.119%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-85.6133.6176.9-71.4104.7000109.9C25 R27 E33 L35 V101 I104C25-W120 VanDerWaalsContact O-CZ3 3.3Å; C25-W120 WeakPolarHBondContact O-CZ3 3.35Å; R27-W120 VanDerWaalsContact CA-CH2 3.48Å; R27-W120 HydrophobicContact CB-CD2 4.45Å; R27-W120 HydrophobicContact CB-CE3 4.01Å; R27-W120 HydrophobicContact CB-CH2 3.78Å; R27-W120 HydrophobicContact CB-CZ2 4.22Å; R27-W120 HydrophobicContact CB-CZ3 3.66Å; R27-W120 HydrophobicContact CG-CH2 4.47Å; R27-W120 HydrophobicContact CG-CZ2 4.46Å; R27-W120 VanDerWaalsContact NH2-CB 3.28Å; E33-W120 HydrophobicContact CB-CE3 4.32Å; E33-W120 WeakPolarHBondContact O-CZ3 3.22Å; L35-W120 HydrophobicContact CB-CD2 4.21Å; L35-W120 HydrophobicContact CB-CE3 3.81Å; L35-W120 HydrophobicContact CB-CH2 3.9Å; L35-W120 HydrophobicContact CB-CZ2 4.3Å; L35-W120 HydrophobicContact CB-CZ3 3.63Å; L35-W120 HydrophobicContact CD1-CD2 3.74Å; L35-W120 HydrophobicContact CD1-CE3 4.22Å; L35-W120 HydrophobicContact CD1-CG 3.99Å; L35-W120 HydrophobicContact CD1-CZ2 4.15Å; V101-W120 HydrophobicContact CB-CH2 4.06Å; V101-W120 HydrophobicContact CB-CZ2 4.44Å; V101-W120 HydrophobicContact CG1-CZ2 4.46Å; V101-W120 HydrophobicContact CG2-CH2 3.78Å; V101-W120 HydrophobicContact CG2-CZ2 4.4Å; I104-W120 HydrophobicContact CD1-CZ2 4.11Å
121F98.7Very high97.1Very high25 Ų2561.4 Ų61.411%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-126.5143177.3-69-93.8000109.4E33 V34 L36 W46 E119 A126 V129E33-F121 CarbonylContact C-O 3.46Å; E33-F121 VanDerWaalsContact CA-O 3.23Å; E33-F121 WeakPolarHBondContact CA-O 3.07Å; V34-F121 PolarHBondContact N-O 3.23Å; V34-F121 PolarHBondContact O-N 3.49Å; L36-F121 HydrophobicContact CB-CD2 3.87Å; L36-F121 HydrophobicContact CB-CE2 3.91Å; L36-F121 HydrophobicContact CD1-CD2 3.75Å; L36-F121 HydrophobicContact CD1-CE2 4.08Å; L36-F121 HydrophobicContact CD1-CG 4.17Å; L36-F121 HydrophobicContact CG-CD2 3.76Å; L36-F121 HydrophobicContact CG-CE2 4.23Å; L36-F121 HydrophobicContact CG-CG 4.49Å; W46-F121 AromaticContact CD1-CZ 3.87Å; W46-F121 AromaticContact CD2-CE2 3.92Å; W46-F121 HydrophobicContact CD2-CE2 3.92Å; W46-F121 AromaticContact CD2-CZ 3.84Å; W46-F121 HydrophobicContact CD2-CZ 3.84Å; W46-F121 AromaticContact CE2-CZ 3.65Å; W46-F121 HydrophobicContact CE3-CE2 4.13Å; W46-F121 HydrophobicContact CE3-CZ 4.47Å; W46-F121 HydrophobicContact CG-CE2 4.24Å; W46-F121 AromaticContact CG-CZ 3.99Å; W46-F121 HydrophobicContact CG-CZ 3.99Å; W46-F121 HydrophobicContact CZ2-CE2 4.48Å; W46-F121 HydrophobicContact CZ2-CZ 4.12Å; W46-F121 AromaticContact NE1-CZ 3.65Å; E119-F121 HydrophobicContact CB-CD2 4.48Å; E119-F121 HydrophobicContact CB-CE2 3.69Å; E119-F121 HydrophobicContact CB-CZ 4.17Å; E119-F121 HydrophobicContact CG-CE2 3.96Å; E119-F121 HydrophobicContact CG-CZ 4.14Å; E119-F121 VanDerWaalsContact O-CD2 3.31Å; E119-F121 WeakPolarHBondContact O-CD2 3.5Å; F121-A126 HydrophobicContact CB-CB 3.78Å; F121-V129 HydrophobicContact CE1-CG1 4.45Å; F121-V129 HydrophobicContact CE1-CG2 4.42Å
122K98.4Very high96.7Very high128 Ų12864.4 Ų64.456%0.55733%0.33SS*.EExtended strand (participates in β ladder)trans-58.9145.4159.3-67-177.7178.5-178.90109.1D32 E124 D125 A126D32-K122 WeakPolarHBondContact O-CA 3.29Å; K122-E124 PolarHBondContact O-N 2.76Å; K122-D125 PolarHBondContact O-N 3.13Å; K122-A126 WeakPolarHBondContact O-CB 3.48Å; K122-A126 PolarHBondContact O-N 3.22Å
123V98Very high96.4Very high0 Ų064.4 Ų64.40%032%0.323CS..Hα-helixtrans-52.9-41.8-177.8170.20000112.2F26 E31 D32 D125 A126 I127 L141 K145F26-V123 HydrophobicContact CE1-CG2 3.96Å; E31-V123 VanDerWaalsContact O-CG2 3.27Å; E31-V123 WeakPolarHBondContact O-CG2 3.23Å; D32-V123 PolarHBondContact O-N 3.45Å; V123-D125 VanDerWaalsContact C-N 3.33Å; V123-D125 PolarHBondContact O-N 2.88Å; V123-A126 WeakPolarHBondContact O-CB 3.39Å; V123-A126 PolarHBondContact O-N 2.72Å; V123-I127 HydrophobicContact CG1-CD1 3.98Å; V123-I127 VanDerWaalsContact O-CG1 3.31Å; V123-I127 WeakPolarHBondContact O-CG1 3.35Å; V123-I127 PolarHBondContact O-N 3.29Å; V123-L141 HydrophobicContact CG1-CB 4.21Å; V123-L141 HydrophobicContact CG1-CD2 4.11Å; V123-L141 HydrophobicContact CG2-CD2 4.32Å; V123-K145 HydrophobicContact CG1-CD 4.43Å; V123-K145 HydrophobicContact CG1-CG 4.23Å
124E96.9Very high96.4Very high89 Ų8961.8 Ų61.842%0.41631%0.307SS..Hα-helixtrans-63.6-38.1179.4-6772.1-161.900112.4K122 K128 K145K122-E124 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact O-CG 3.33Å; E124-K128 PolarHBondContact O-N 2.94Å; E124-K145 VanDerWaalsContact OE1-CE 3.3Å; E124-K145 WeakPolarHBondContact OE1-CE 3.13Å; E124-K145 IonicContact OE1-NZ 2.6Å; E124-K145 PolarHBondContact OE1-NZ 2.96Å
125D98Very high96.4Very high65 Ų6562.6 Ų62.635%0.34831%0.314SS..Hα-helixtrans-79-35.4179.9-63.7-32.5000111K122 V123 I127 K128 V129K122-D125 PolarHBondContact O-N 3.13Å; V123-D125 VanDerWaalsContact C-N 3.33Å; V123-D125 PolarHBondContact O-N 2.88Å; D125-I127 VanDerWaalsContact C-N 3.34Å; D125-I127 PolarHBondContact O-N 2.94Å; D125-K128 PolarHBondContact O-N 3.27Å; D125-K128 IonicContact OD1-NZ 3.3Å; D125-K128 PolarHBondContact OD1-NZ 3.24Å; D125-V129 PolarHBondContact O-N 2.96Å
126A98.3Very high96.3Very high0 Ų060.9 Ų60.90%029%0.294CS..Hα-helixtrans-57.4-45.6171.200000111.5V34 L36 F121 K122 V123 K128 V129 L130 L141V34-A126 HydrophobicContact CG1-CB 3.49Å; V34-A126 VanDerWaalsContact CG1-CB 3.49Å; L36-A126 HydrophobicContact CD1-CB 4Å; F121-A126 HydrophobicContact CB-CB 3.78Å; K122-A126 WeakPolarHBondContact O-CB 3.48Å; K122-A126 PolarHBondContact O-N 3.22Å; V123-A126 WeakPolarHBondContact O-CB 3.39Å; V123-A126 PolarHBondContact O-N 2.72Å; A126-K128 PolarHBondContact O-N 2.96Å; A126-V129 VanDerWaalsContact O-CG2 3.29Å; A126-V129 WeakPolarHBondContact O-CG2 3.13Å; A126-V129 PolarHBondContact O-N 3.18Å; A126-L130 WeakPolarHBondContact O-CB 3.42Å; A126-L130 WeakPolarHBondContact O-CD1 3.08Å; A126-L130 WeakPolarHBondContact O-CG 3.29Å; A126-L130 PolarHBondContact O-N 3.04Å; A126-L141 HydrophobicContact CB-CD1 3.56Å
127I97.9Very high96.3Very high31 Ų3161.1 Ų61.116%0.15930%0.295CS..Hα-helixtrans-57.2-49.7175.7-70.8164.6000110.4V123 D125 V129 L130 Q131 A138 L141 E142V123-I127 HydrophobicContact CG1-CD1 3.98Å; V123-I127 VanDerWaalsContact O-CG1 3.31Å; V123-I127 WeakPolarHBondContact O-CG1 3.35Å; V123-I127 PolarHBondContact O-N 3.29Å; D125-I127 VanDerWaalsContact C-N 3.34Å; D125-I127 PolarHBondContact O-N 2.94Å; I127-V129 PolarHBondContact O-N 2.88Å; I127-L130 PolarHBondContact O-N 3.05Å; I127-Q131 WeakPolarHBondContact O-CB 3.35Å; I127-Q131 PolarHBondContact O-N 3.28Å; I127-A138 HydrophobicContact CG2-CB 4.38Å; I127-L141 HydrophobicContact CD1-CB 3.94Å; I127-L141 HydrophobicContact CG1-CB 3.54Å; I127-L141 HydrophobicContact CG1-CD1 4.02Å; I127-L141 HydrophobicContact CG1-CG 4.45Å; I127-E142 HydrophobicContact CD1-CG 4.22Å; I127-E142 HydrophobicContact CG2-CG 4.44Å
128K97.1Very high96.3Very high128 Ų12854.8 Ų54.856%0.55727%0.268SS*.Hα-helixtrans-58.9-46.7-178.5-66.9167.8-160.31590112.5E124 D125 A126 L130E124-K128 WeakPolarHBondContact O-CG 3.33Å; E124-K128 PolarHBondContact O-N 2.94Å; D125-K128 PolarHBondContact O-N 3.27Å; D125-K128 IonicContact OD1-NZ 3.3Å; D125-K128 PolarHBondContact OD1-NZ 3.24Å; A126-K128 PolarHBondContact O-N 2.96Å; K128-L130 VanDerWaalsContact C-N 3.31Å; K128-L130 PolarHBondContact O-N 3.02Å
129V97.2Very high96.2Very high54 Ų5456 Ų5633%0.32728%0.276SS..Hα-helixtrans-71.3-28.5-178.3-58.80000112.4L36 W46 F121 D125 A126 I127L36-V129 HydrophobicContact CD1-CG2 3.84Å; W46-V129 HydrophobicContact CB-CG2 4.18Å; F121-V129 HydrophobicContact CE1-CG1 4.45Å; F121-V129 HydrophobicContact CE1-CG2 4.42Å; D125-V129 PolarHBondContact O-N 2.96Å; A126-V129 VanDerWaalsContact O-CG2 3.29Å; A126-V129 WeakPolarHBondContact O-CG2 3.13Å; A126-V129 PolarHBondContact O-N 3.18Å; I127-V129 PolarHBondContact O-N 2.88Å
130L97.1Very high96.2Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-78.4-37177.7-69.8168.4000112.3L36 W46 V48 A126 I127 K128 C132 H133 K134 H137 A138 L141L36-L130 HydrophobicContact CD1-CD1 4.23Å; L36-L130 HydrophobicContact CD1-CD2 4.34Å; L36-L130 HydrophobicContact CD1-CG 4.15Å; L36-L130 HydrophobicContact CD2-CD1 4.18Å; W46-L130 VanDerWaalsContact O-CD2 3.31Å; W46-L130 WeakPolarHBondContact O-CD2 3.29Å; V48-L130 HydrophobicContact CG2-CD1 4.08Å; A126-L130 WeakPolarHBondContact O-CB 3.42Å; A126-L130 WeakPolarHBondContact O-CD1 3.08Å; A126-L130 WeakPolarHBondContact O-CG 3.29Å; A126-L130 PolarHBondContact O-N 3.04Å; I127-L130 PolarHBondContact O-N 3.05Å; K128-L130 VanDerWaalsContact C-N 3.31Å; K128-L130 PolarHBondContact O-N 3.02Å; L130-C132 PolarHBondContact O-N 2.61Å; L130-C132 VanDerWaalsContact O-N 3.11Å; L130-H133 PolarHBondContact O-N 2.78Å; L130-H133 VanDerWaalsContact O-N 3.12Å; L130-K134 HydrophobicContact CD2-CB 4.26Å; L130-K134 CarbonylContact O-C 3.48Å; L130-K134 WeakPolarHBondContact O-CA 3.14Å; L130-K134 PolarHBondContact O-N 2.85Å; L130-H137 HydrophobicContact CD1-CB 4.11Å; L130-H137 HydrophobicContact CD2-CB 3.92Å; L130-H137 HydrophobicContact CG-CB 4.43Å; L130-A138 HydrophobicContact CB-CB 3.89Å; L130-L141 HydrophobicContact CD1-CD1 3.74Å
131Q94.6Very high96.1Very high93 Ų9348.9 Ų48.944%0.43525%0.245SC..Hα-helixtrans-52.9-39.5-173.2-161.369.73.800113.2I127 H133I127-Q131 WeakPolarHBondContact O-CB 3.35Å; I127-Q131 PolarHBondContact O-N 3.28Å; Q131-H133 PolarHBondContact O-N 3.05Å
132C88.4Confident95.9Very high97 Ų9751.4 Ų51.466%0.65526%0.257SS*.THydrogen-bonded Turntrans-67.6-31.6-175.8-64.50000114L130L130-C132 PolarHBondContact O-N 2.61Å; L130-C132 VanDerWaalsContact O-N 3.11Å
133H89.6Confident95.7Very high99 Ų9949.7 Ų49.746%0.45825%0.249SC..THydrogen-bonded Turntrans-135.8-15.3-166.7-58.9-49.9000115.1Q45 L130 Q131Q45-H133 VanDerWaalsContact CD-CD2 3.46Å; Q45-H133 VanDerWaalsContact CD-CG 3.48Å; Q45-H133 HydrophobicContact CG-CB 4.49Å; Q45-H133 PolarHBondContact NE2-CD2 3.07Å; Q45-H133 VanDerWaalsContact NE2-CD2 3.3Å; Q45-H133 PolarHBondContact NE2-CE1 2.86Å; Q45-H133 VanDerWaalsContact NE2-CG 3.26Å; Q45-H133 PolarHBondContact NE2-ND1 3.32Å; Q45-H133 PolarHBondContact NE2-NE2 3.03Å; L130-H133 PolarHBondContact O-N 2.78Å; L130-H133 VanDerWaalsContact O-N 3.12Å; Q131-H133 PolarHBondContact O-N 3.05Å
134K93.4Very high95.4Very high48 Ų4849.9 Ų49.921%0.20925%0.251CS..  trans-14464.1175.5-63-62.5168.1-62.90109.8I47 L130 V136 H137 A138I47-K134 HydrophobicContact CG2-CD 4.31Å; I47-K134 HydrophobicContact CG2-CG 3.74Å; L130-K134 HydrophobicContact CD2-CB 4.26Å; L130-K134 CarbonylContact O-C 3.48Å; L130-K134 WeakPolarHBondContact O-CA 3.14Å; L130-K134 PolarHBondContact O-N 2.85Å; K134-V136 VanDerWaalsContact C-N 3.25Å; K134-V136 PolarHBondContact O-N 3.06Å; K134-H137 HydrophobicContact CB-CB 3.85Å; K134-H137 WeakPolarHBondContact O-CA 3.24Å; K134-H137 WeakPolarHBondContact O-CB 3.43Å; K134-H137 PolarHBondContact O-N 3.17Å; K134-A138 PolarHBondContact O-N 2.86Å
135P94.1Very high94.9Very high56 Ų5649.1 Ų49.136%0.36425%0.246SC..Hα-helixtrans-55.7-39-178.421.8-33.5000112.8H137 A138 E139P135-H137 PolarHBondContact O-N 3.3Å; P135-A138 WeakPolarHBondContact O-CA 3.41Å; P135-A138 VanDerWaalsContact O-CB 3.3Å; P135-A138 WeakPolarHBondContact O-CB 3.44Å; P135-A138 PolarHBondContact O-N 2.81Å; P135-E139 PolarHBondContact O-N 2.8Å
136V94.8Very high94Very high14 Ų1452.7 Ų52.79%0.08526%0.264CS..Hα-helixtrans-59.4-33174.9179.10000112.5F84 Q86 K134 E139 Y140F84-V136 HydrophobicContact CB-CG1 4.45Å; Q86-V136 HydrophobicContact CB-CG2 4.34Å; Q86-V136 HydrophobicContact CG-CG2 4.09Å; K134-V136 VanDerWaalsContact C-N 3.25Å; K134-V136 PolarHBondContact O-N 3.06Å; V136-E139 WeakPolarHBondContact O-CB 3.45Å; V136-E139 PolarHBondContact O-N 2.82Å; V136-Y140 HydrophobicContact CG1-CE1 3.71Å; V136-Y140 WeakPolarHBondContact O-CD1 3.33Å; V136-Y140 WeakPolarHBondContact O-CE1 3.3Å; V136-Y140 PolarHBondContact O-N 3.19Å
137H97.1Very high92.5Very high13 Ų1356.1 Ų56.16%0.0630%0.299CS..Hα-helixtrans-73.4-31.1175.1-69.3-160.9000112V48 L130 K134 P135 Y140V48-H137 HydrophobicContact CB-CB 4.41Å; V48-H137 HydrophobicContact CG2-CB 3.95Å; V48-H137 PolarHBondContact N-ND1 3.44Å; L130-H137 HydrophobicContact CD1-CB 4.11Å; L130-H137 HydrophobicContact CD2-CB 3.92Å; L130-H137 HydrophobicContact CG-CB 4.43Å; K134-H137 HydrophobicContact CB-CB 3.85Å; K134-H137 WeakPolarHBondContact O-CA 3.24Å; K134-H137 WeakPolarHBondContact O-CB 3.43Å; K134-H137 PolarHBondContact O-N 3.17Å; P135-H137 PolarHBondContact O-N 3.3Å; H137-Y140 HydrophobicContact CB-CD2 4.39Å; H137-Y140 HydrophobicContact CB-CE2 4.31Å; H137-Y140 AromaticContact CD2-CE2 3.7Å; H137-Y140 AromaticContact CD2-CZ 3.85Å; H137-Y140 WeakPolarHBondContact O-CB 3.48Å; H137-Y140 PolarHBondContact O-N 2.92Å
138A97.1Very high90.4Very high0 Ų059.1 Ų59.10%032%0.322CS..Hα-helixtrans-66.9-39.9172.700000111I127 L130 K134 P135 Y140 L141 E142I127-A138 HydrophobicContact CG2-CB 4.38Å; L130-A138 HydrophobicContact CB-CB 3.89Å; K134-A138 PolarHBondContact O-N 2.86Å; P135-A138 WeakPolarHBondContact O-CA 3.41Å; P135-A138 VanDerWaalsContact O-CB 3.3Å; P135-A138 WeakPolarHBondContact O-CB 3.44Å; P135-A138 PolarHBondContact O-N 2.81Å; A138-Y140 PolarHBondContact O-N 3.03Å; A138-Y140 VanDerWaalsContact O-N 3.13Å; A138-L141 PolarHBondContact O-N 3.48Å; A138-E142 PolarHBondContact O-N 3.47Å
139E96.5Very high87.8Confident83 Ų8356.9 Ų56.939%0.38832%0.322SS..Hα-helixtrans-55.6-30.5174.3-67.9168.6-154.800112.6F84 P135 V136 E142 K143F84-E139 HydrophobicContact CE1-CB 4.48Å; P135-E139 PolarHBondContact O-N 2.8Å; V136-E139 WeakPolarHBondContact O-CB 3.45Å; V136-E139 PolarHBondContact O-N 2.82Å; E139-E142 PolarHBondContact O-N 3.26Å; E139-K143 WeakPolarHBondContact O-CB 3.46Å; E139-K143 PolarHBondContact O-N 3.13Å
140Y97.5Very high85.1Confident4 Ų460 Ų602%0.01634%0.344CS..Hα-helixtrans-59.8-48.1174.4-54.8-12.4000110.6L24 V48 L81 F84 V96 V136 H137 A138 K143 L144L24-Y140 HydrophobicContact CD2-CD2 4.44Å; V48-Y140 HydrophobicContact CB-CD2 4.39Å; V48-Y140 HydrophobicContact CG1-CD2 4.27Å; V48-Y140 HydrophobicContact CG1-CE2 4.47Å; V48-Y140 HydrophobicContact CG2-CD2 4.19Å; L81-Y140 VanDerWaalsContact CD2-O 3.28Å; L81-Y140 WeakPolarHBondContact CD2-O 3.02Å; F84-Y140 HydrophobicContact CB-CD1 4.13Å; F84-Y140 HydrophobicContact CB-CE1 3.43Å; F84-Y140 VanDerWaalsContact CB-CE1 3.43Å; F84-Y140 AromaticContact CD1-CD1 3.48Å; F84-Y140 HydrophobicContact CD1-CD1 3.48Å; F84-Y140 VanDerWaalsContact CD1-CD1 3.48Å; F84-Y140 AromaticContact CD1-CE1 3.67Å; F84-Y140 HydrophobicContact CD1-CE1 3.67Å; F84-Y140 AromaticContact CD2-CD1 3.66Å; F84-Y140 HydrophobicContact CD2-CD1 3.66Å; F84-Y140 AromaticContact CD2-CE1 3.72Å; F84-Y140 HydrophobicContact CD2-CE1 3.72Å; F84-Y140 AromaticContact CE1-CD1 3.61Å; F84-Y140 HydrophobicContact CE1-CD1 3.61Å; F84-Y140 HydrophobicContact CE1-CE1 4.27Å; F84-Y140 AromaticContact CE2-CD1 3.78Å; F84-Y140 HydrophobicContact CE2-CD1 3.78Å; F84-Y140 HydrophobicContact CE2-CE1 4.32Å; F84-Y140 HydrophobicContact CE2-CG 4.45Å; F84-Y140 AromaticContact CG-CD1 3.49Å; F84-Y140 HydrophobicContact CG-CD1 3.49Å; F84-Y140 VanDerWaalsContact CG-CD1 3.49Å; F84-Y140 AromaticContact CG-CE1 3.33Å; F84-Y140 HydrophobicContact CG-CE1 3.33Å; F84-Y140 AromaticContact CZ-CD1 3.74Å; F84-Y140 HydrophobicContact CZ-CD1 3.74Å; F84-Y140 HydrophobicContact CZ-CG 4.43Å; V96-Y140 HydrophobicContact CG1-CD2 4.04Å; V96-Y140 HydrophobicContact CG1-CG 4.16Å; V96-Y140 HydrophobicContact CG2-CD1 4Å; V96-Y140 HydrophobicContact CG2-CD2 3.87Å; V96-Y140 HydrophobicContact CG2-CE1 3.86Å; V96-Y140 HydrophobicContact CG2-CE2 3.71Å; V96-Y140 HydrophobicContact CG2-CG 4.03Å; V136-Y140 HydrophobicContact CG1-CE1 3.71Å; V136-Y140 WeakPolarHBondContact O-CD1 3.33Å; V136-Y140 WeakPolarHBondContact O-CE1 3.3Å; V136-Y140 PolarHBondContact O-N 3.19Å; H137-Y140 HydrophobicContact CB-CD2 4.39Å; H137-Y140 HydrophobicContact CB-CE2 4.31Å; H137-Y140 AromaticContact CD2-CE2 3.7Å; H137-Y140 AromaticContact CD2-CZ 3.85Å; H137-Y140 WeakPolarHBondContact O-CB 3.48Å; H137-Y140 PolarHBondContact O-N 2.92Å; A138-Y140 PolarHBondContact O-N 3.03Å; A138-Y140 VanDerWaalsContact O-N 3.13Å; Y140-K143 PolarHBondContact O-N 2.8Å; Y140-L144 PolarHBondContact O-N 3.47Å
141L96.9Very high82.4Confident0 Ų065.1 Ų65.10%039%0.386CS..Hα-helixtrans-74.5-33.2-178.4-69.5165.5000112.1L24 V34 V123 A126 I127 L130 A138 L144 K145L24-L141 HydrophobicContact CD1-CD2 3.93Å; L24-L141 HydrophobicContact CD1-CG 4.47Å; L24-L141 HydrophobicContact CD2-CD2 3.99Å; L24-L141 HydrophobicContact CD2-CG 4.19Å; V34-L141 HydrophobicContact CB-CD2 4.37Å; V34-L141 HydrophobicContact CG1-CD1 4.34Å; V34-L141 HydrophobicContact CG1-CD2 4.06Å; V34-L141 HydrophobicContact CG2-CD2 4.36Å; V123-L141 HydrophobicContact CG1-CB 4.21Å; V123-L141 HydrophobicContact CG1-CD2 4.11Å; V123-L141 HydrophobicContact CG2-CD2 4.32Å; A126-L141 HydrophobicContact CB-CD1 3.56Å; I127-L141 HydrophobicContact CD1-CB 3.94Å; I127-L141 HydrophobicContact CG1-CB 3.54Å; I127-L141 HydrophobicContact CG1-CD1 4.02Å; I127-L141 HydrophobicContact CG1-CG 4.45Å; L130-L141 HydrophobicContact CD1-CD1 3.74Å; A138-L141 PolarHBondContact O-N 3.48Å; L141-L144 VanDerWaalsContact O-CB 3.29Å; L141-L144 WeakPolarHBondContact O-CB 3.2Å; L141-L144 PolarHBondContact O-N 2.93Å; L141-K145 PolarHBondContact O-N 3.16Å; L141-K145 VanDerWaalsContact O-N 3.17Å
142E95.9Very high79.7Confident77 Ų7768.6 Ų68.636%0.3641%0.408SS..Hα-helixtrans-63.9-43.5172.7-68.4177.6166.900111.2I127 A138 E139 L144 K145 L146I127-E142 HydrophobicContact CD1-CG 4.22Å; I127-E142 HydrophobicContact CG2-CG 4.44Å; A138-E142 PolarHBondContact O-N 3.47Å; E139-E142 PolarHBondContact O-N 3.26Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.49Å; E142-K145 PolarHBondContact O-N 2.93Å; E142-K145 VanDerWaalsContact O-N 3.17Å; E142-L146 WeakPolarHBondContact O-CG 2.99Å; E142-L146 PolarHBondContact O-N 3.05Å; E142-L146 VanDerWaalsContact O-N 3.1Å
143K94.1Very high77.1Confident92 Ų9267.3 Ų67.340%0.441%0.411SS..Hα-helixtrans-61.3-37.5175.3-168-178.3-173.2-170.10112.1L81 F84 E139 Y140 L146 G147L81-K143 HydrophobicContact CG-CD 4.43Å; L81-K143 WeakPolarHBondContact O-CE 3.29Å; L81-K143 PolarHBondContact O-NZ 3.21Å; F84-K143 HydrophobicContact CE1-CB 4.37Å; F84-K143 HydrophobicContact CE1-CD 3.97Å; F84-K143 HydrophobicContact CE2-CD 4.35Å; F84-K143 HydrophobicContact CZ-CB 4.11Å; F84-K143 HydrophobicContact CZ-CD 3.46Å; F84-K143 VanDerWaalsContact CZ-CD 3.46Å; F84-K143 HydrophobicContact CZ-CG 4.42Å; E139-K143 WeakPolarHBondContact O-CB 3.46Å; E139-K143 PolarHBondContact O-N 3.13Å; Y140-K143 PolarHBondContact O-N 2.8Å; K143-L146 PolarHBondContact O-N 3.38Å; K143-G147 PolarHBondContact O-N 3.23Å
144L91Very high74.9Confident5 Ų570.1 Ų70.13%0.02643%0.429CS..Hα-helixtrans-58-48.2174.1-169.788.9000111.4L24 F26 E31 R79 L81 V98 Y140 L141 E142 L146 G147 C148L24-L144 HydrophobicContact CD1-CD1 4.34Å; F26-L144 HydrophobicContact CE1-CD2 3.92Å; F26-L144 HydrophobicContact CE2-CD1 4.27Å; F26-L144 HydrophobicContact CE2-CD2 4.27Å; F26-L144 HydrophobicContact CZ-CD1 4.13Å; F26-L144 HydrophobicContact CZ-CD2 3.38Å; F26-L144 HydrophobicContact CZ-CG 4.38Å; E31-L144 HydrophobicContact CB-CD2 4.41Å; E31-L144 WeakPolarHBondContact OE2-CD1 3Å; R79-L144 VanDerWaalsContact NH2-CD1 3.31Å; L81-L144 HydrophobicContact CD1-CD1 4.11Å; L81-L144 HydrophobicContact CD2-CB 4.47Å; L81-L144 HydrophobicContact CD2-CD1 4.34Å; V98-L144 HydrophobicContact CG2-CD1 4.13Å; Y140-L144 PolarHBondContact O-N 3.47Å; L141-L144 VanDerWaalsContact O-CB 3.29Å; L141-L144 WeakPolarHBondContact O-CB 3.2Å; L141-L144 PolarHBondContact O-N 2.93Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.49Å; L144-L146 PolarHBondContact O-N 2.75Å; L144-G147 PolarHBondContact O-N 2.91Å; L144-C148 PolarHBondContact O-N 3.46Å
145K86.4Confident72.1Confident73 Ų7373.4 Ų73.432%0.31746%0.458SS..Hα-helixtrans-62.7-40.9-179.7-73.2-81.9170.7-179.30112.3V123 E124 L141 E142 G147 C148 S149V123-K145 HydrophobicContact CG1-CD 4.43Å; V123-K145 HydrophobicContact CG1-CG 4.23Å; E124-K145 VanDerWaalsContact OE1-CE 3.3Å; E124-K145 WeakPolarHBondContact OE1-CE 3.13Å; E124-K145 IonicContact OE1-NZ 2.6Å; E124-K145 PolarHBondContact OE1-NZ 2.96Å; L141-K145 PolarHBondContact O-N 3.16Å; L141-K145 VanDerWaalsContact O-N 3.17Å; E142-K145 PolarHBondContact O-N 2.93Å; E142-K145 VanDerWaalsContact O-N 3.17Å; K145-G147 VanDerWaalsContact C-N 3.27Å; K145-G147 PolarHBondContact O-N 3.43Å; K145-C148 PolarHBondContact O-N 2.9Å; K145-S149 PolarHBondContact O-N 3.26Å
146L78.9Confident69.4Low139 Ų13976.8 Ų76.873%0.72848%0.478SS*.Hα-helixtrans-64.6-32.5177.3-67.6173000112.5E142 K143 L144E142-L146 WeakPolarHBondContact O-CG 2.99Å; E142-L146 PolarHBondContact O-N 3.05Å; E142-L146 VanDerWaalsContact O-N 3.1Å; K143-L146 PolarHBondContact O-N 3.38Å; L144-L146 PolarHBondContact O-N 2.75Å
147G66.8Low66.6Low72 Ų7282.3 Ų82.374%0.74251%0.511SS*.Hα-helixtrans-80.4-14.2176.600000115.4K143 L144 K145K143-G147 PolarHBondContact O-N 3.23Å; L144-G147 PolarHBondContact O-N 2.91Å; K145-G147 VanDerWaalsContact C-N 3.27Å; K145-G147 PolarHBondContact O-N 3.43Å
148C54.2Low63.8Low94 Ų9487 Ų8764%0.63554%0.543SS*.Hα-helixtrans-103.4-3.9-177.9-1600000113.3L144 K145 P150L144-C148 PolarHBondContact O-N 3.46Å; K145-C148 PolarHBondContact O-N 2.9Å; C148-P150 WeakPolarHBondContact O-CD 3.45Å
149S42.8Very low60.9Low81 Ų8192.3 Ų92.357%0.56658%0.581SS**SBendtrans-61.9125.2172.1-670000109.9K145 A151K145-S149 PolarHBondContact O-N 3.26Å; S149-A151 PolarHBondContact O-N 3.13Å
150P40.9Very low58.1Low120 Ų12096.2 Ų96.278%0.77960%0.603SS**  trans-63.4114.4168.925-29.4000107.1C148 N152C148-P150 WeakPolarHBondContact O-CD 3.45Å; P150-N152 PolarHBondContact O-N 3.28Å
151A38.9Very low55.4Low107 Ų107101.5 Ų101.588%0.88464%0.638SS**  trans-59.7100.3174.200000109S149S149-A151 PolarHBondContact O-N 3.13Å
152N37.8Very low52.7Low167 Ų167109 Ų10989%0.89368%0.678SS**  trans-106.4115.6163.7-120.40.3000106.8P150P150-N152 PolarHBondContact O-N 3.28Å
153G34.9Very low49.9Very low70 Ų70112.7 Ų112.772%0.72270%0.7SS**SBendtrans127.393.5162.600000115.7
154N42Very low47.1Very low158 Ų158115.4 Ų115.485%0.84572%0.719SS**  trans-3.1115.5155.1-69.5-18.8000117.1
155S36.1Very low44.6Very low116 Ų116119 Ų11981%0.81175%0.75SS**  trans-11499.7147.4-75.80000108V157S155-V157 PolarHBondContact O-N 3.29Å
156T36.4Very low42.3Very low127 Ų127123.6 Ų123.678%0.77978%0.777SS**  trans-54.2115166.3430000109.3
157V36.7Very low40.1Very low130 Ų130126.1 Ų126.179%0.78878%0.782SS**  trans-69126.5164.7-176.20000107.3S155 S159S155-V157 PolarHBondContact O-N 3.29Å; V157-S159 PolarHBondContact O-N 3.12Å
158P36.8Very low38.7Very low111 Ų111129.4 Ų129.472%0.72179%0.788SS**  trans-70.6114.2166.6-7.724000107.7L160P158-L160 PolarHBondContact O-N 3.11Å
159S37Very low37.8Very low113 Ų113131.1 Ų131.179%0.7980%0.796SS**PPolyproline II helixtrans-58.4116.216651.30000109.3V157V157-S159 PolarHBondContact O-N 3.12Å
160L38.8Very low37.5Very low164 Ų164132.2 Ų132.286%0.85981%0.809SS**PPolyproline II helixtrans-66.6142.6164.9-85.7143.4000109.6P158P158-L160 PolarHBondContact O-N 3.11Å
161P40.4Very low37.3Very low116 Ų116130.9 Ų130.975%0.75381%0.809SS**PPolyproline II helixtrans-77.9139.5-172.930.8-32.3000112
162D39.8Very low37.2Very low157 Ų157134.4 Ų134.484%0.8481%0.807SS**PPolyproline II helixtrans-53.5131.3161.1-79.1-49.8000110.5
163N36.7Very low37.2Very low155 Ų155132.5 Ų132.583%0.82980%0.801SS**  trans-159.8135.1148.1-103.5-22.4000113.3
164N36.2Very low37.3Very low148 Ų148134.8 Ų134.879%0.79181%0.806SS**  trans88.890160.2-71.62.9000120
165A39.1Very low36.9Very low81 Ų81131 Ų13167%0.66981%0.805SS**  trans-43.513414000000113.3
166L36Very low37.5Very low170 Ų170133.4 Ų133.489%0.8981%0.807SS**  trans-138.6110.8146-84.2174.3000108.8
167F34.8Very low38.5Very low191 Ų191132.5 Ų132.584%0.83880%0.804SS**  trans-64.2135.5163.3-74.6-97.3000109.7
168V36.3Very low38.7Very low142 Ų142131.8 Ų131.886%0.86181%0.805SS**  trans-138.2127147-176.50000109.5
169T35.1Very low39.3Very low130 Ų130132.3 Ų132.380%0.79881%0.811SS**  trans-77.3157.9-172.226.80000114.2
170A37.3Very low39.9Very low103 Ų103134.7 Ų134.785%0.85181%0.813SS**  trans-83.6141.4167.900000112.4
171A36.8Very low40.5Very low93 Ų93141.8 Ų141.877%0.76983%0.829SS**  trans-171.9109.315000000107.5
172Q37.1Very low40.5Very low180 Ų180143.1 Ų143.184%0.84183%0.832SS**  73.7133.384.5-84.1-161.544.800117.5
173T37.3Very low40.5Very low127 Ų127142.4 Ų142.478%0.77983%0.832SS**  trans81140.3163.778.70000116.4
174S37.6Very low40.7Very low118 Ų118141.7 Ų141.783%0.82583%0.832SS**  cis-174.3151.23.940.30000108.6
175G33.3Very low41Very low79 Ų79141.3 Ų141.381%0.81483%0.834SS**  trans136.498.1154.700000117.4
176L48.6Very low41.1Very low166 Ų166145.1 Ų145.187%0.86985%0.845SS**  trans-68.2-172.8165.8-86.4103.4000112.8
177P56.6Low41.4Very low108 Ų108143.4 Ų143.470%0.70184%0.842SS**  -135.5178.6-61.340.4-23000111.4
178S42.2Very low41.9Very low116 Ų116140 Ų14081%0.81184%0.842SS**  trans-172.6119.5132.848.40000111.6
179S48.8Very low42.3Very low122 Ų122139.8 Ų139.885%0.85384%0.841SS**  trans-92.1132.2157.8-59.70000107.8
180I49.7Very low42.9Very low162 Ų162140.7 Ų140.783%0.83184%0.844SS**  trans-127.4137.8153.2-69.4-176.7000106.9
181R50.1Low43.5Very low314 Ų314144.1 Ų144.1100%1.18584%0.844SS**  trans-33.20-178.7-74.1172.3170.3176-4.2117.2

Retrieved 181 of 181 residues in 40.3 ms (Link to these results)

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