A0A3Q0KF86_SCHMA Loading...

Zinc finger CCCH domain-containing protein 14

AlphaFold DB , UniProt , Accession A0A3Q0KF86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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
1M54.8Low82.4Confident189 Ų18980.9 Ų80.993%0.93145%0.45SS*.  0125.80-68.3169.5178.900108.5K41M1-K41 WeakPolarHBondContact O-CE 3.28Å; M1-K41 PolarHBondContact O-NZ 3.22Å
2V69.8Low83.1Confident142 Ų14278.6 Ų78.686%0.86143%0.432SS*.PPolyproline II helixtrans-94.8143.6160.6-178.50000105.6
3Y79.2Confident83.8Confident60 Ų6079.8 Ų79.824%0.23544%0.437CS..PPolyproline II helixtrans-75.5138.2173.9-63.2-78.4000109.4F7 L8 V38 K41Y3-F7 AromaticContact CD1-CD1 3.57Å; Y3-F7 HydrophobicContact CD1-CD1 3.57Å; Y3-F7 AromaticContact CD1-CE1 3.3Å; Y3-F7 HydrophobicContact CD1-CE1 3.3Å; Y3-F7 HydrophobicContact CD1-CG 4.39Å; Y3-F7 AromaticContact CD1-CZ 3.93Å; Y3-F7 HydrophobicContact CD1-CZ 3.93Å; Y3-F7 HydrophobicContact CE1-CD1 4.38Å; Y3-F7 AromaticContact CE1-CE1 3.66Å; Y3-F7 HydrophobicContact CE1-CE1 3.66Å; Y3-F7 HydrophobicContact CE1-CZ 4Å; Y3-F7 HydrophobicContact CG-CD1 4.12Å; Y3-F7 HydrophobicContact CG-CE1 4.16Å; Y3-L8 HydrophobicContact CD2-CD2 4.37Å; Y3-L8 HydrophobicContact CG-CD2 4.19Å; Y3-V38 VanDerWaalsContact CE2-O 3.3Å; Y3-V38 WeakPolarHBondContact CE2-O 3.49Å; Y3-K41 HydrophobicContact CE2-CG 3.88Å
4D84.5Confident84.3Confident101 Ų10182.3 Ų82.354%0.5444%0.437SS..PPolyproline II helixtrans-70.9153.4175.4-178.749.8000111.3S6 F7 L8D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 3.44Å; D4-S6 VanDerWaalsContact OD2-CB 3.3Å; D4-S6 WeakPolarHBondContact OD2-CB 3.47Å; D4-S6 PolarHBondContact OD2-N 3.49Å; D4-S6 VanDerWaalsContact OD2-N 3.08Å; D4-S6 PolarHBondContact OD2-OG 3.36Å; D4-F7 WeakPolarHBondContact O-CB 3.24Å; D4-F7 PolarHBondContact O-N 3.33Å; D4-F7 VanDerWaalsContact O-N 3.11Å; D4-L8 PolarHBondContact O-N 3.28Å
5S84.8Confident84.8Confident81 Ų8176.9 Ų76.957%0.56641%0.408SS*.Hα-helixtrans-58.9-37.3178.8-166.40000112.2F7 L8 L9S5-F7 PolarHBondContact O-N 3.19Å; S5-L8 PolarHBondContact O-N 2.98Å; S5-L9 WeakPolarHBondContact O-CG 3.29Å; S5-L9 PolarHBondContact O-N 3.34Å
6S85.8Confident85.1Confident73 Ų7373.8 Ų73.851%0.5139%0.393SS..Hα-helixtrans-65.7-38.2175.967.40000112.8D4 T10D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 3.44Å; D4-S6 VanDerWaalsContact OD2-CB 3.3Å; D4-S6 WeakPolarHBondContact OD2-CB 3.47Å; D4-S6 PolarHBondContact OD2-N 3.49Å; D4-S6 VanDerWaalsContact OD2-N 3.08Å; D4-S6 PolarHBondContact OD2-OG 3.36Å; S6-T10 PolarHBondContact O-N 2.98Å; S6-T10 VanDerWaalsContact O-N 3.07Å; S6-T10 PolarHBondContact O-OG1 3.25Å
7F88.7Confident85.5Confident35 Ų3574.5 Ų74.515%0.15440%0.397CS..Hα-helixtrans-65.6-46.2175.3179.9-80.4000110.7Y3 D4 S5 L9 T10 V11 L70 L73Y3-F7 AromaticContact CD1-CD1 3.57Å; Y3-F7 HydrophobicContact CD1-CD1 3.57Å; Y3-F7 AromaticContact CD1-CE1 3.3Å; Y3-F7 HydrophobicContact CD1-CE1 3.3Å; Y3-F7 HydrophobicContact CD1-CG 4.39Å; Y3-F7 AromaticContact CD1-CZ 3.93Å; Y3-F7 HydrophobicContact CD1-CZ 3.93Å; Y3-F7 HydrophobicContact CE1-CD1 4.38Å; Y3-F7 AromaticContact CE1-CE1 3.66Å; Y3-F7 HydrophobicContact CE1-CE1 3.66Å; Y3-F7 HydrophobicContact CE1-CZ 4Å; Y3-F7 HydrophobicContact CG-CD1 4.12Å; Y3-F7 HydrophobicContact CG-CE1 4.16Å; D4-F7 WeakPolarHBondContact O-CB 3.24Å; D4-F7 PolarHBondContact O-N 3.33Å; D4-F7 VanDerWaalsContact O-N 3.11Å; S5-F7 PolarHBondContact O-N 3.19Å; F7-L9 PolarHBondContact O-N 2.93Å; F7-T10 PolarHBondContact O-N 3.23Å; F7-V11 HydrophobicContact CD1-CG2 3.92Å; F7-V11 HydrophobicContact CE1-CG2 3.6Å; F7-V11 HydrophobicContact CZ-CG2 4.16Å; F7-V11 WeakPolarHBondContact O-CG2 3.19Å; F7-V11 PolarHBondContact O-N 3.38Å; F7-L70 HydrophobicContact CE1-CD2 3.89Å; F7-L70 HydrophobicContact CZ-CD2 4.14Å; F7-L73 HydrophobicContact CD2-CB 4.35Å; F7-L73 HydrophobicContact CE2-CB 3.52Å; F7-L73 HydrophobicContact CE2-CD2 4.32Å; F7-L73 HydrophobicContact CZ-CB 3.96Å
8L87.8Confident85.7Confident44 Ų4473.6 Ų73.623%0.2339%0.389CS..Hα-helixtrans-63-39.8179.7-69173000112.1Y3 D4 S5 V11 K12 M35 V38Y3-L8 HydrophobicContact CD2-CD2 4.37Å; Y3-L8 HydrophobicContact CG-CD2 4.19Å; D4-L8 PolarHBondContact O-N 3.28Å; S5-L8 PolarHBondContact O-N 2.98Å; L8-V11 PolarHBondContact O-N 3.47Å; L8-K12 PolarHBondContact O-N 3.4Å; L8-M35 HydrophobicContact CB-CE 3.78Å; L8-M35 HydrophobicContact CD2-CE 3.43Å; L8-M35 VanDerWaalsContact CD2-CE 3.43Å; L8-M35 HydrophobicContact CG-CE 4.2Å; L8-M35 WeakPolarHBondContact O-CE 3.15Å; L8-V38 HydrophobicContact CD2-CG1 4.33Å
9L88.1Confident85.9Confident101 Ų10169.8 Ų69.853%0.52937%0.369SS..Hα-helixtrans-61.8-47.2172-71.1167.1000111.8S5 F7 V11 K12 D13S5-L9 WeakPolarHBondContact O-CG 3.29Å; S5-L9 PolarHBondContact O-N 3.34Å; F7-L9 PolarHBondContact O-N 2.93Å; L9-V11 PolarHBondContact O-N 3.12Å; L9-K12 WeakPolarHBondContact O-CB 3.41Å; L9-K12 PolarHBondContact O-N 3.09Å; L9-D13 PolarHBondContact O-N 3.11Å
10T91.2Very high85.9Confident64 Ų6472.6 Ų72.639%0.39338%0.378SS..Hα-helixtrans-61-32.3178.1-490000112.6S6 F7 R14 L73S6-T10 PolarHBondContact O-N 2.98Å; S6-T10 VanDerWaalsContact O-N 3.07Å; S6-T10 PolarHBondContact O-OG1 3.25Å; F7-T10 PolarHBondContact O-N 3.23Å; T10-R14 WeakPolarHBondContact O-CG 3.15Å; T10-L73 HydrophobicContact CG2-CD2 3.86Å
11V91.6Very high86Confident0 Ų074.5 Ų74.50%039%0.393CS..Hα-helixtrans-73.7-42.7172.2174.30000111F7 L8 L9 D13 R14 V15 M35 L66 L70 L73F7-V11 HydrophobicContact CD1-CG2 3.92Å; F7-V11 HydrophobicContact CE1-CG2 3.6Å; F7-V11 HydrophobicContact CZ-CG2 4.16Å; F7-V11 WeakPolarHBondContact O-CG2 3.19Å; F7-V11 PolarHBondContact O-N 3.38Å; L8-V11 PolarHBondContact O-N 3.47Å; L9-V11 PolarHBondContact O-N 3.12Å; V11-D13 VanDerWaalsContact C-N 3.34Å; V11-D13 PolarHBondContact O-N 2.88Å; V11-R14 PolarHBondContact O-N 2.85Å; V11-V15 HydrophobicContact CG1-CG2 4.13Å; V11-V15 WeakPolarHBondContact O-CB 3.47Å; V11-V15 WeakPolarHBondContact O-CG2 3.47Å; V11-V15 PolarHBondContact O-N 3.42Å; V11-M35 HydrophobicContact CB-CE 3.97Å; V11-M35 HydrophobicContact CB-SD 4.08Å; V11-M35 HydrophobicContact CG1-CE 3.96Å; V11-M35 HydrophobicContact CG1-SD 3.68Å; V11-L66 HydrophobicContact CG1-CD1 4.47Å; V11-L70 HydrophobicContact CG1-CD2 3.99Å; V11-L70 HydrophobicContact CG2-CD2 3.75Å; V11-L73 HydrophobicContact CG2-CD2 3.96Å
12K90.9Very high87.3Confident53 Ų5367.4 Ų67.423%0.2336%0.358CS..Hα-helixtrans-56.7-47.8178-172.8177.1178.1172.80111L8 L9 R14 V15 T16 P31 D32 M35L8-K12 PolarHBondContact O-N 3.4Å; L9-K12 WeakPolarHBondContact O-CB 3.41Å; L9-K12 PolarHBondContact O-N 3.09Å; K12-R14 PolarHBondContact O-N 3.43Å; K12-V15 WeakPolarHBondContact O-CB 3.36Å; K12-V15 PolarHBondContact O-N 3.14Å; K12-V15 VanDerWaalsContact O-N 3.14Å; K12-T16 HydrophobicContact CG-CG2 4.36Å; K12-T16 WeakPolarHBondContact O-CG2 3.37Å; K12-T16 PolarHBondContact O-N 3.22Å; K12-P31 HydrophobicContact CG-CB 4.48Å; K12-D32 WeakPolarHBondContact CE-OD1 3.21Å; K12-D32 IonicContact NZ-OD1 3.12Å; K12-D32 PolarHBondContact NZ-OD1 3.09Å; K12-D32 IonicContact NZ-OD2 2.79Å; K12-D32 PolarHBondContact NZ-OD2 3.5Å; K12-M35 HydrophobicContact CB-CG 3.79Å; K12-M35 HydrophobicContact CB-SD 3.86Å; K12-M35 HydrophobicContact CD-CG 4.39Å; K12-M35 HydrophobicContact CG-CG 3.99Å; K12-M35 PolarHBondContact N-SD 3.47Å
13D91.8Very high87.2Confident94 Ų9463.7 Ų63.750%0.50335%0.349SS..Hα-helixtrans-56.6-52.3-179.9-63.2-24.4000110.7L9 V11 V15 T16 D17L9-D13 PolarHBondContact O-N 3.11Å; V11-D13 VanDerWaalsContact C-N 3.34Å; V11-D13 PolarHBondContact O-N 2.88Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 2.75Å; D13-T16 PolarHBondContact O-N 2.92Å; D13-T16 VanDerWaalsContact O-N 3.14Å; D13-T16 PolarHBondContact O-OG1 3.48Å; D13-D17 PolarHBondContact O-N 3.46Å
14R91.7Very high86.4Confident115 Ų11562.4 Ų62.443%0.43435%0.351SS..Hα-helixtrans-58.7-39.8175.9-69.6-178-179-142.71.8113T10 V11 K12 D17 K18 W65T10-R14 WeakPolarHBondContact O-CG 3.15Å; V11-R14 PolarHBondContact O-N 2.85Å; K12-R14 PolarHBondContact O-N 3.43Å; R14-D17 PolarHBondContact O-N 3.06Å; R14-K18 WeakPolarHBondContact O-CB 3.46Å; R14-K18 PolarHBondContact O-N 3.36Å; R14-W65 HydrophobicContact CB-CH2 4.32Å; R14-W65 WeakPolarHBondContact O-CH2 3.44Å
15V91.7Very high85.2Confident1 Ų168.1 Ų68.11%0.00637%0.371CS..Hα-helixtrans-62.8-47.5175.3161.60000110.4V11 K12 D13 D17 K18 L19 P31 I34 F62 W65 L66V11-V15 HydrophobicContact CG1-CG2 4.13Å; V11-V15 WeakPolarHBondContact O-CB 3.47Å; V11-V15 WeakPolarHBondContact O-CG2 3.47Å; V11-V15 PolarHBondContact O-N 3.42Å; K12-V15 WeakPolarHBondContact O-CB 3.36Å; K12-V15 PolarHBondContact O-N 3.14Å; K12-V15 VanDerWaalsContact O-N 3.14Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 2.75Å; V15-D17 VanDerWaalsContact C-N 3.33Å; V15-D17 PolarHBondContact O-N 3.06Å; V15-K18 PolarHBondContact O-N 3.16Å; V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 VanDerWaalsContact O-CG 3.23Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.49Å; V15-P31 HydrophobicContact CG1-CB 4.35Å; V15-I34 HydrophobicContact CG1-CB 4.26Å; V15-I34 HydrophobicContact CG1-CD1 3.91Å; V15-I34 HydrophobicContact CG1-CG2 4.02Å; V15-I34 HydrophobicContact CG2-CG2 4.1Å; V15-F62 HydrophobicContact CG1-CZ 4.24Å; V15-F62 HydrophobicContact CG2-CZ 4.48Å; V15-W65 HydrophobicContact CG2-CZ3 4.39Å; V15-L66 HydrophobicContact CG2-CD1 3.78Å
16T90.1Very high84.1Confident28 Ų2867.3 Ų67.317%0.17236%0.36CS..Hα-helixtrans-61.3-41.617870.40000111.8K12 D13 L19 K20 P31K12-T16 HydrophobicContact CG-CG2 4.36Å; K12-T16 WeakPolarHBondContact O-CG2 3.37Å; K12-T16 PolarHBondContact O-N 3.22Å; D13-T16 PolarHBondContact O-N 2.92Å; D13-T16 VanDerWaalsContact O-N 3.14Å; D13-T16 PolarHBondContact O-OG1 3.48Å; T16-L19 PolarHBondContact O-N 3.4Å; T16-K20 WeakPolarHBondContact O-CE 3.46Å; T16-K20 WeakPolarHBondContact O-CG 3.48Å; T16-K20 PolarHBondContact O-N 3.41Å; T16-K20 PolarHBondContact OG1-NZ 2.93Å; T16-K20 VanDerWaalsContact OG1-NZ 3.09Å; T16-P31 HydrophobicContact CG2-CB 3.73Å; T16-P31 HydrophobicContact CG2-CG 3.81Å
17D91.1Very high83.4Confident86 Ų8668 Ų6846%0.4636%0.358SS..Hα-helixtrans-70-36.6179.8-71-19.9000112.4D13 R14 V15 K20 T21D13-D17 PolarHBondContact O-N 3.46Å; R14-D17 PolarHBondContact O-N 3.06Å; V15-D17 VanDerWaalsContact C-N 3.33Å; V15-D17 PolarHBondContact O-N 3.06Å; D17-K20 PolarHBondContact O-N 3.5Å; D17-K20 IonicContact OD1-NZ 2.59Å; D17-K20 PolarHBondContact OD1-NZ 3.18Å; D17-T21 WeakPolarHBondContact O-CB 3.44Å; D17-T21 PolarHBondContact O-N 3.26Å; D17-T21 PolarHBondContact O-OG1 3.47Å
18K89.9Confident82.9Confident57 Ų5773.8 Ų73.825%0.24839%0.39CS..Hα-helixtrans-66.4-40.9173.5-175.268171.9-179.20111.9R14 V15 T21 L22 F62 W65R14-K18 WeakPolarHBondContact O-CB 3.46Å; R14-K18 PolarHBondContact O-N 3.36Å; V15-K18 PolarHBondContact O-N 3.16Å; K18-T21 WeakPolarHBondContact O-CB 3.36Å; K18-T21 PolarHBondContact O-N 2.81Å; K18-L22 HydrophobicContact CG-CD1 4.46Å; K18-L22 WeakPolarHBondContact O-CG 3.45Å; K18-L22 PolarHBondContact O-N 2.81Å; K18-L22 VanDerWaalsContact O-N 3.09Å; K18-F62 HydrophobicContact CB-CE2 4.23Å; K18-F62 HydrophobicContact CG-CD2 3.85Å; K18-F62 HydrophobicContact CG-CE2 3.87Å; K18-W65 HydrophobicContact CB-CE3 4.23Å; K18-W65 HydrophobicContact CB-CH2 3.41Å; K18-W65 VanDerWaalsContact CB-CH2 3.41Å; K18-W65 HydrophobicContact CB-CZ2 3.71Å; K18-W65 HydrophobicContact CB-CZ3 3.69Å; K18-W65 HydrophobicContact CD-CD2 3.95Å; K18-W65 HydrophobicContact CD-CE3 4.33Å; K18-W65 HydrophobicContact CD-CG 4.39Å; K18-W65 HydrophobicContact CD-CZ2 4.16Å; K18-W65 HydrophobicContact CG-CD2 3.82Å; K18-W65 HydrophobicContact CG-CE3 3.68Å; K18-W65 HydrophobicContact CG-CH2 3.81Å; K18-W65 HydrophobicContact CG-CZ2 3.93Å; K18-W65 HydrophobicContact CG-CZ3 3.67Å
19L89.3Confident82.8Confident3 Ų377.5 Ų77.52%0.01641%0.407CS..Hα-helixtrans-63.2-46.9175-68.6167.8000111V15 T16 T21 L22 G23 I26 L30 P31 I34 L55 F62V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 VanDerWaalsContact O-CG 3.23Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 3.4Å; L19-T21 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 3.13Å; L19-G23 PolarHBondContact O-N 3.35Å; L19-I26 VanDerWaalsContact C-CD1 3.47Å; L19-I26 HydrophobicContact CB-CD1 3.83Å; L19-I26 HydrophobicContact CB-CG1 4.38Å; L19-I26 HydrophobicContact CB-CG2 4.22Å; L19-I26 HydrophobicContact CD1-CG2 4.2Å; L19-L30 HydrophobicContact CD2-CD2 4.3Å; L19-P31 HydrophobicContact CD1-CG 4Å; L19-I34 HydrophobicContact CD1-CD1 3.91Å; L19-I34 HydrophobicContact CD2-CD1 4.4Å; L19-L55 HydrophobicContact CD2-CD1 4.22Å; L19-L55 HydrophobicContact CD2-CD2 3.67Å; L19-F62 HydrophobicContact CD2-CD2 4.42Å; L19-F62 HydrophobicContact CD2-CE2 3.91Å; L19-F62 HydrophobicContact CD2-CZ 4.17Å; L19-F62 HydrophobicContact CG-CE2 4.11Å; L19-F62 HydrophobicContact CG-CZ 4.39Å
20K86.2Confident82.9Confident124 Ų12473.1 Ų73.154%0.53938%0.384SS..Hα-helixtrans-53.4-39.2172.3-70.2164.6-145.3157.90112.2T16 D17 L22 I26T16-K20 WeakPolarHBondContact O-CE 3.46Å; T16-K20 WeakPolarHBondContact O-CG 3.48Å; T16-K20 PolarHBondContact O-N 3.41Å; T16-K20 PolarHBondContact OG1-NZ 2.93Å; T16-K20 VanDerWaalsContact OG1-NZ 3.09Å; D17-K20 PolarHBondContact O-N 3.5Å; D17-K20 IonicContact OD1-NZ 2.59Å; D17-K20 PolarHBondContact OD1-NZ 3.18Å; K20-L22 VanDerWaalsContact C-N 3.35Å; K20-I26 HydrophobicContact CG-CD1 4.18Å
21T87.6Confident82.9Confident113 Ų11370.5 Ų70.569%0.69337%0.368SS*.Hα-helixtrans-70.6-27.7178.3-53.30000113D17 K18 L19D17-T21 WeakPolarHBondContact O-CB 3.44Å; D17-T21 PolarHBondContact O-N 3.26Å; D17-T21 PolarHBondContact O-OG1 3.47Å; K18-T21 WeakPolarHBondContact O-CB 3.36Å; K18-T21 PolarHBondContact O-N 2.81Å; L19-T21 PolarHBondContact O-N 3.48Å
22L80.9Confident82.8Confident40 Ų4074.3 Ų74.321%0.20939%0.388CS..Hα-helixtrans-83.6-12.8-179.6-72.5173.3000113.9K18 L19 K20 A24 H58 F62K18-L22 HydrophobicContact CG-CD1 4.46Å; K18-L22 WeakPolarHBondContact O-CG 3.45Å; K18-L22 PolarHBondContact O-N 2.81Å; K18-L22 VanDerWaalsContact O-N 3.09Å; L19-L22 PolarHBondContact O-N 3.13Å; K20-L22 VanDerWaalsContact C-N 3.35Å; L22-A24 PolarHBondContact O-N 3.02Å; L22-H58 HydrophobicContact CD1-CB 4.4Å; L22-H58 HydrophobicContact CD2-CB 4.33Å; L22-F62 HydrophobicContact CD1-CB 4.24Å; L22-F62 HydrophobicContact CD1-CD2 3.81Å; L22-F62 HydrophobicContact CD1-CG 4.42Å
23G68.2Low82.9Confident64 Ų6473.8 Ų73.866%0.6639%0.385SS*.  trans68.8-8.9167.900000117.4L19L19-G23 PolarHBondContact O-N 3.35Å
24A63.2Low82.9Confident34 Ų3469.3 Ų69.328%0.28136%0.361SS..SBendtrans-58.8143.9167.800000110.2L22 I26L22-A24 PolarHBondContact O-N 3.02Å; A24-I26 WeakPolarHBondContact O-CG1 3.13Å; A24-I26 PolarHBondContact O-N 2.85Å
25F58.5Low82.9Confident220 Ų22064.7 Ų64.797%0.96535%0.345SS*.  trans-61105-176.9-115-101.8000110.6
26I63.1Low82.8Confident65 Ų6568.4 Ų68.433%0.33337%0.367SS..  trans-88.5124.5-173.1-32.1168.3000109.2L19 K20 A24 L30L19-I26 VanDerWaalsContact C-CD1 3.47Å; L19-I26 HydrophobicContact CB-CD1 3.83Å; L19-I26 HydrophobicContact CB-CG1 4.38Å; L19-I26 HydrophobicContact CB-CG2 4.22Å; L19-I26 HydrophobicContact CD1-CG2 4.2Å; K20-I26 HydrophobicContact CG-CD1 4.18Å; A24-I26 WeakPolarHBondContact O-CG1 3.13Å; A24-I26 PolarHBondContact O-N 2.85Å; I26-L30 HydrophobicContact CG2-CB 4.44Å; I26-L30 HydrophobicContact CG2-CD2 4.26Å
27D70.4Confident82.9Confident88 Ų8867.4 Ų67.447%0.47136%0.361SS..  trans-75.8138.1162.6-165.7-33.9000109.2E29 L30 P31D27-E29 PolarHBondContact O-N 3.03Å; D27-E29 VanDerWaalsContact O-N 3.14Å; D27-E29 PolarHBondContact OD1-N 3.46Å; D27-L30 WeakPolarHBondContact O-CB 3.5Å; D27-L30 PolarHBondContact O-N 3.42Å; D27-P31 WeakPolarHBondContact O-CD 3.25Å
28D77.8Confident82.9Confident155 Ų15563.5 Ų63.583%0.82934%0.34SS*.THydrogen-bonded Turntrans-58.5-23.1175.7-77.4-42.4000112.2P31D28-P31 WeakPolarHBondContact O-CD 3.33Å
29E86.7Confident82.9Confident123 Ų12362.7 Ų62.758%0.57534%0.344SS*.THydrogen-bonded Turntrans-78.3-22.2174.9-62.6-163.8173.200114D27 D32 Y33 L230D27-E29 PolarHBondContact O-N 3.03Å; D27-E29 VanDerWaalsContact O-N 3.14Å; D27-E29 PolarHBondContact OD1-N 3.46Å; E29-D32 PolarHBondContact O-N 3.48Å; E29-Y33 PolarHBondContact O-N 2.9Å; E29-L230 WeakPolarHBondContact OE2-CD2 3.41Å
30L89Confident82.9Confident9 Ų967.4 Ų67.45%0.04737%0.369CS..Hα-helixtrans-62.3-42-174.3-179.562.9000114.2L19 I26 D27 D32 Y33 I34 L51 F54 L55L19-L30 HydrophobicContact CD2-CD2 4.3Å; I26-L30 HydrophobicContact CG2-CB 4.44Å; I26-L30 HydrophobicContact CG2-CD2 4.26Å; D27-L30 WeakPolarHBondContact O-CB 3.5Å; D27-L30 PolarHBondContact O-N 3.42Å; L30-D32 VanDerWaalsContact C-N 3.31Å; L30-D32 PolarHBondContact O-N 3.06Å; L30-Y33 PolarHBondContact O-N 3.4Å; L30-I34 HydrophobicContact CD1-CD1 4.24Å; L30-I34 HydrophobicContact CD1-CG1 4.45Å; L30-I34 HydrophobicContact CG-CD1 4.02Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 2.93Å; L30-L51 HydrophobicContact CD1-CD2 3.93Å; L30-F54 HydrophobicContact CD1-CB 4.02Å; L30-F54 HydrophobicContact CD1-CD1 4.04Å; L30-F54 HydrophobicContact CD1-CD2 4.11Å; L30-F54 HydrophobicContact CD1-CG 3.8Å; L30-F54 HydrophobicContact CD2-CB 4.02Å; L30-L55 HydrophobicContact CD2-CD2 4.2Å
31P90.5Very high82.9Confident9 Ų967 Ų676%0.05837%0.367CS..Hα-helixtrans-59.1-39.9174.9-23.633.7000112.8K12 V15 T16 L19 D27 D28 I34 M35K12-P31 HydrophobicContact CG-CB 4.48Å; V15-P31 HydrophobicContact CG1-CB 4.35Å; T16-P31 HydrophobicContact CG2-CB 3.73Å; T16-P31 HydrophobicContact CG2-CG 3.81Å; L19-P31 HydrophobicContact CD1-CG 4Å; D27-P31 WeakPolarHBondContact O-CD 3.25Å; D28-P31 WeakPolarHBondContact O-CD 3.33Å; P31-I34 PolarHBondContact O-N 3.08Å; P31-M35 WeakPolarHBondContact O-CG 3.24Å; P31-M35 PolarHBondContact O-N 2.86Å
32D91Very high82.9Confident79 Ų7964.8 Ų64.842%0.42235%0.348SS..Hα-helixtrans-71.3-33.3177.9-79.7-47.2000112.2K12 E29 L30 M35 V36K12-D32 WeakPolarHBondContact CE-OD1 3.21Å; K12-D32 IonicContact NZ-OD1 3.12Å; K12-D32 PolarHBondContact NZ-OD1 3.09Å; K12-D32 IonicContact NZ-OD2 2.79Å; K12-D32 PolarHBondContact NZ-OD2 3.5Å; E29-D32 PolarHBondContact O-N 3.48Å; L30-D32 VanDerWaalsContact C-N 3.31Å; L30-D32 PolarHBondContact O-N 3.06Å; D32-M35 PolarHBondContact O-N 3Å; D32-V36 WeakPolarHBondContact O-CG2 3.03Å; D32-V36 PolarHBondContact O-N 3.15Å
33Y92.5Very high83.5Confident43 Ų4365.8 Ų65.817%0.16936%0.358CS..Hα-helixtrans-62-44.5171.4-171.1-121.4000112.2E29 L30 M35 V36 M37 D50 F54 V234E29-Y33 PolarHBondContact O-N 2.9Å; L30-Y33 PolarHBondContact O-N 3.4Å; Y33-M35 VanDerWaalsContact C-N 3.32Å; Y33-M35 PolarHBondContact O-N 3.25Å; Y33-V36 PolarHBondContact O-N 2.96Å; Y33-M37 HydrophobicContact CD1-CE 3.63Å; Y33-M37 HydrophobicContact CE1-CE 3.68Å; Y33-M37 HydrophobicContact CE1-SD 4.27Å; Y33-M37 HydrophobicContact CG-CE 4.44Å; Y33-M37 PolarHBondContact O-N 3.34Å; Y33-M37 VanDerWaalsContact O-N 3.09Å; Y33-D50 WeakPolarHBondContact CE1-OD1 3.4Å; Y33-D50 PolarHBondContact OH-OD1 2.59Å; Y33-D50 PolarHBondContact OH-OD2 2.99Å; Y33-F54 HydrophobicContact CD1-CE2 4.46Å; Y33-F54 HydrophobicContact CE1-CE2 4.27Å; Y33-V234 HydrophobicContact CE2-CG2 4.24Å
34I92.2Very high84.6Confident0 Ų065.9 Ų65.90%034%0.342CS..Hα-helixtrans-60.5-42.4173.6-67.9158.5000110.6V15 L19 L30 P31 V36 M37 V38 L51 F62 L66V15-I34 HydrophobicContact CG1-CB 4.26Å; V15-I34 HydrophobicContact CG1-CD1 3.91Å; V15-I34 HydrophobicContact CG1-CG2 4.02Å; V15-I34 HydrophobicContact CG2-CG2 4.1Å; L19-I34 HydrophobicContact CD1-CD1 3.91Å; L19-I34 HydrophobicContact CD2-CD1 4.4Å; L30-I34 HydrophobicContact CD1-CD1 4.24Å; L30-I34 HydrophobicContact CD1-CG1 4.45Å; L30-I34 HydrophobicContact CG-CD1 4.02Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 2.93Å; P31-I34 PolarHBondContact O-N 3.08Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 3.5Å; I34-M37 HydrophobicContact CG1-CE 4.17Å; I34-M37 PolarHBondContact O-N 2.73Å; I34-M37 VanDerWaalsContact O-N 3.15Å; I34-V38 HydrophobicContact CG2-CG2 4.35Å; I34-V38 WeakPolarHBondContact O-CG2 3.3Å; I34-V38 PolarHBondContact O-N 2.86Å; I34-L51 HydrophobicContact CD1-CD2 4.13Å; I34-L51 HydrophobicContact CG1-CD1 4.25Å; I34-L51 HydrophobicContact CG1-CD2 3.76Å; I34-F62 HydrophobicContact CD1-CE1 3.92Å; I34-F62 HydrophobicContact CD1-CZ 3.88Å; I34-L66 HydrophobicContact CG2-CD2 3.83Å
35M90.4Very high85.9Confident17 Ų1768.1 Ų68.18%0.08436%0.355CS..Hα-helixtrans-62.6-33.3177.1-70.3-46.2-51.500113.5L8 V11 K12 P31 D32 Y33 V38 A39L8-M35 HydrophobicContact CB-CE 3.78Å; L8-M35 HydrophobicContact CD2-CE 3.43Å; L8-M35 VanDerWaalsContact CD2-CE 3.43Å; L8-M35 HydrophobicContact CG-CE 4.2Å; L8-M35 WeakPolarHBondContact O-CE 3.15Å; V11-M35 HydrophobicContact CB-CE 3.97Å; V11-M35 HydrophobicContact CB-SD 4.08Å; V11-M35 HydrophobicContact CG1-CE 3.96Å; V11-M35 HydrophobicContact CG1-SD 3.68Å; K12-M35 HydrophobicContact CB-CG 3.79Å; K12-M35 HydrophobicContact CB-SD 3.86Å; K12-M35 HydrophobicContact CD-CG 4.39Å; K12-M35 HydrophobicContact CG-CG 3.99Å; K12-M35 PolarHBondContact N-SD 3.47Å; P31-M35 WeakPolarHBondContact O-CG 3.24Å; P31-M35 PolarHBondContact O-N 2.86Å; D32-M35 PolarHBondContact O-N 3Å; Y33-M35 VanDerWaalsContact C-N 3.32Å; Y33-M35 PolarHBondContact O-N 3.25Å; M35-V38 HydrophobicContact CE-CG1 4.44Å; M35-A39 WeakPolarHBondContact O-CB 3.47Å; M35-A39 PolarHBondContact O-N 3.06Å
36V90.9Very high87.6Confident79 Ų7959 Ų5948%0.47932%0.32SS..Hα-helixtrans-67.8-42.8172.2172.60000111.4D32 Y33 I34 V38 A39 N40D32-V36 WeakPolarHBondContact O-CG2 3.03Å; D32-V36 PolarHBondContact O-N 3.15Å; Y33-V36 PolarHBondContact O-N 2.96Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 3.5Å; V36-V38 VanDerWaalsContact C-N 3.34Å; V36-V38 PolarHBondContact O-N 3.02Å; V36-A39 PolarHBondContact O-N 2.89Å; V36-N40 WeakPolarHBondContact O-CB 3.31Å; V36-N40 VanDerWaalsContact O-CG 3.31Å; V36-N40 PolarHBondContact O-N 2.98Å
37M91.1Very high89Confident8 Ų856 Ų564%0.03931%0.305CS..Hα-helixtrans-61.6-40.9175-71.4-168.7-84.300112.6Y33 I34 N40 K41 K42 M47 D50 L51Y33-M37 HydrophobicContact CD1-CE 3.63Å; Y33-M37 HydrophobicContact CE1-CE 3.68Å; Y33-M37 HydrophobicContact CE1-SD 4.27Å; Y33-M37 HydrophobicContact CG-CE 4.44Å; Y33-M37 PolarHBondContact O-N 3.34Å; Y33-M37 VanDerWaalsContact O-N 3.09Å; I34-M37 HydrophobicContact CG1-CE 4.17Å; I34-M37 PolarHBondContact O-N 2.73Å; I34-M37 VanDerWaalsContact O-N 3.15Å; M37-N40 CarbonylContact O-C 3.49Å; M37-N40 PolarHBondContact O-N 2.96Å; M37-K41 PolarHBondContact O-N 2.82Å; M37-K41 VanDerWaalsContact O-N 3.09Å; M37-K42 HydrophobicContact CB-CB 4.22Å; M37-K42 HydrophobicContact CB-CD 4.32Å; M37-K42 HydrophobicContact CG-CD 3.92Å; M37-K42 PolarHBondContact O-N 3.2Å; M37-K42 HydrophobicContact SD-CD 3.7Å; M37-M47 HydrophobicContact CB-CG 4.13Å; M37-M47 HydrophobicContact CB-SD 3.95Å; M37-M47 HydrophobicContact SD-CB 4.44Å; M37-M47 HydrophobicContact SD-CG 4Å; M37-D50 HydrophobicContact CE-CB 4.37Å; M37-D50 HydrophobicContact SD-CB 3.76Å; M37-D50 VanDerWaalsContact SD-OD2 3.33Å; M37-L51 HydrophobicContact CE-CD1 4.23Å; M37-L51 HydrophobicContact CE-CD2 3.68Å; M37-L51 HydrophobicContact CE-CG 3.81Å
38V91.9Very high90Very high4 Ų452.3 Ų52.32%0.02429%0.287CS..Hα-helixtrans-64.7-46174.9170.40000111.3Y3 L8 I34 M35 V36 N40 K41 L66 L70Y3-V38 VanDerWaalsContact CE2-O 3.3Å; Y3-V38 WeakPolarHBondContact CE2-O 3.49Å; L8-V38 HydrophobicContact CD2-CG1 4.33Å; I34-V38 HydrophobicContact CG2-CG2 4.35Å; I34-V38 WeakPolarHBondContact O-CG2 3.3Å; I34-V38 PolarHBondContact O-N 2.86Å; M35-V38 HydrophobicContact CE-CG1 4.44Å; V36-V38 VanDerWaalsContact C-N 3.34Å; V36-V38 PolarHBondContact O-N 3.02Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 3.28Å; V38-K41 PolarHBondContact O-N 3.49Å; V38-L66 HydrophobicContact CG2-CD1 4.37Å; V38-L66 HydrophobicContact CG2-CD2 4.13Å; V38-L70 HydrophobicContact CG1-CD1 4.01Å; V38-L70 HydrophobicContact CG1-CD2 3.65Å; V38-L70 HydrophobicContact CG2-CD1 3.97Å
39A89.4Confident90.7Very high40 Ų4053.4 Ų53.433%0.33129%0.285SS..Hα-helixtrans-58.7-40.5176.900000112.1M35 V36 K41M35-A39 WeakPolarHBondContact O-CB 3.47Å; M35-A39 PolarHBondContact O-N 3.06Å; V36-A39 PolarHBondContact O-N 2.89Å; A39-K41 VanDerWaalsContact C-N 3.26Å; A39-K41 PolarHBondContact O-N 3.12Å
40N88.9Confident91Very high102 Ų10248.9 Ų48.955%0.54526%0.264SS..THydrogen-bonded Turntrans-76.9-4.7176.5-68-6.6000114V36 M37 V38 K42V36-N40 WeakPolarHBondContact O-CB 3.31Å; V36-N40 VanDerWaalsContact O-CG 3.31Å; V36-N40 PolarHBondContact O-N 2.98Å; M37-N40 CarbonylContact O-C 3.49Å; M37-N40 PolarHBondContact O-N 2.96Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 3.28Å; N40-K42 VanDerWaalsContact C-N 3.32Å; N40-K42 PolarHBondContact O-N 3.36Å
41K86.5Confident91.1Very high115 Ų11548.4 Ų48.450%0.526%0.262SS..THydrogen-bonded Turntrans55.341.9-178.1-53.3179.8-166.273.40113.5M1 Y3 M37 V38 A39 S43M1-K41 WeakPolarHBondContact O-CE 3.28Å; M1-K41 PolarHBondContact O-NZ 3.22Å; Y3-K41 HydrophobicContact CE2-CG 3.88Å; M37-K41 PolarHBondContact O-N 2.82Å; M37-K41 VanDerWaalsContact O-N 3.09Å; V38-K41 PolarHBondContact O-N 3.49Å; A39-K41 VanDerWaalsContact C-N 3.26Å; A39-K41 PolarHBondContact O-N 3.12Å; K41-S43 PolarHBondContact O-N 3.19Å
42K88.8Confident91.1Very high66 Ų6652.3 Ų52.329%0.28728%0.279SS..  trans-57.1137.3174.6-160.7174.5-153.1-153.10109.5M37 N40 A46 M47 D50M37-K42 HydrophobicContact CB-CB 4.22Å; M37-K42 HydrophobicContact CB-CD 4.32Å; M37-K42 HydrophobicContact CG-CD 3.92Å; M37-K42 PolarHBondContact O-N 3.2Å; M37-K42 HydrophobicContact SD-CD 3.7Å; N40-K42 VanDerWaalsContact C-N 3.32Å; N40-K42 PolarHBondContact O-N 3.36Å; K42-A46 HydrophobicContact CD-CB 4.23Å; K42-A46 WeakPolarHBondContact CD-O 3.16Å; K42-A46 WeakPolarHBondContact CE-O 3.43Å; K42-A46 HydrophobicContact CG-CB 3.7Å; K42-A46 PolarHBondContact NZ-O 2.86Å; K42-M47 HydrophobicContact CB-CG 3.72Å; K42-M47 HydrophobicContact CB-SD 4.48Å; K42-M47 HydrophobicContact CD-CG 3.96Å; K42-M47 HydrophobicContact CG-CG 3.95Å; K42-D50 IonicContact NZ-OD2 3.37Å; K42-D50 PolarHBondContact NZ-OD2 2.76Å
43S92.1Very high90.9Very high61 Ų6155.8 Ų55.843%0.42730%0.297SS..  trans-67.215817864.40000110.9K41 S45 A46 M47K41-S43 PolarHBondContact O-N 3.19Å; S43-S45 PolarHBondContact O-N 2.81Å; S43-S45 PolarHBondContact OG-OG 3.08Å; S43-A46 CarbonylContact O-C 3.16Å; S43-A46 WeakPolarHBondContact O-CA 3.41Å; S43-A46 PolarHBondContact O-N 3.11Å; S43-A46 VanDerWaalsContact OG-CB 3.28Å; S43-A46 WeakPolarHBondContact OG-CB 3.36Å; S43-A46 PolarHBondContact OG-N 3.41Å; S43-M47 PolarHBondContact O-N 3.2Å
44E91.2Very high90.7Very high66 Ų6657.4 Ų57.431%0.30831%0.305SS..Hα-helixtrans-54.5-51.5-177.7-163.2179.6160.100112.1A46 M47 A48 E64 H67E44-A46 PolarHBondContact O-N 3.25Å; E44-M47 PolarHBondContact O-N 3.3Å; E44-M47 VanDerWaalsContact O-N 3.13Å; E44-A48 WeakPolarHBondContact O-CB 3.44Å; E44-A48 PolarHBondContact O-N 3.32Å; E44-E64 WeakPolarHBondContact OE1-CA 3.45Å; E44-E64 VanDerWaalsContact OE1-CG 3.24Å; E44-E64 WeakPolarHBondContact OE1-CG 3.14Å; E44-E64 PolarHBondContact OE1-N 2.92Å; E44-H67 WeakPolarHBondContact CA-NE2 3.38Å; E44-H67 WeakPolarHBondContact CB-NE2 3.24Å; E44-H67 PolarHBondContact N-NE2 3.48Å; E44-H67 IonicContact OE2-CG 3.94Å
45S91.6Very high90.4Very high81 Ų8158 Ų5857%0.56631%0.308SS*.Hα-helixtrans-58.4-27.2174.655.30000114.4S43 K49S43-S45 PolarHBondContact O-N 2.81Å; S43-S45 PolarHBondContact OG-OG 3.08Å; S45-K49 WeakPolarHBondContact O-CG 3.47Å; S45-K49 PolarHBondContact O-N 3.14Å
46A92.8Very high90.2Very high28 Ų2858.5 Ų58.523%0.23132%0.318CS..Hα-helixtrans-91.8-24.2178.700000112.4K42 S43 E44K42-A46 HydrophobicContact CD-CB 4.23Å; K42-A46 WeakPolarHBondContact CD-O 3.16Å; K42-A46 WeakPolarHBondContact CE-O 3.43Å; K42-A46 HydrophobicContact CG-CB 3.7Å; K42-A46 PolarHBondContact NZ-O 2.86Å; S43-A46 CarbonylContact O-C 3.16Å; S43-A46 WeakPolarHBondContact O-CA 3.41Å; S43-A46 PolarHBondContact O-N 3.11Å; S43-A46 VanDerWaalsContact OG-CB 3.28Å; S43-A46 WeakPolarHBondContact OG-CB 3.36Å; S43-A46 PolarHBondContact OG-N 3.41Å; E44-A46 PolarHBondContact O-N 3.25Å
47M92.7Very high90.1Very high2 Ų263 Ų631%0.0133%0.333CS..Hα-helixtrans-72.5-38.6163.9-71-163.4-7200111M37 K42 S43 E44 K49 D50 L51 T63 L66 H67M37-M47 HydrophobicContact CB-CG 4.13Å; M37-M47 HydrophobicContact CB-SD 3.95Å; M37-M47 HydrophobicContact SD-CB 4.44Å; M37-M47 HydrophobicContact SD-CG 4Å; K42-M47 HydrophobicContact CB-CG 3.72Å; K42-M47 HydrophobicContact CB-SD 4.48Å; K42-M47 HydrophobicContact CD-CG 3.96Å; K42-M47 HydrophobicContact CG-CG 3.95Å; S43-M47 PolarHBondContact O-N 3.2Å; E44-M47 PolarHBondContact O-N 3.3Å; E44-M47 VanDerWaalsContact O-N 3.13Å; M47-K49 PolarHBondContact O-N 3.25Å; M47-D50 WeakPolarHBondContact O-CB 3.46Å; M47-D50 PolarHBondContact O-N 3.24Å; M47-D50 VanDerWaalsContact O-N 3.11Å; M47-L51 HydrophobicContact CB-CD1 4.48Å; M47-L51 WeakPolarHBondContact O-CB 3.34Å; M47-L51 WeakPolarHBondContact O-CG 3.42Å; M47-L51 PolarHBondContact O-N 2.85Å; M47-T63 HydrophobicContact CB-CG2 3.97Å; M47-L66 HydrophobicContact CE-CD2 3.95Å; M47-L66 HydrophobicContact SD-CD2 3.91Å; M47-H67 VanDerWaalsContact CE-CD2 3.41Å; M47-H67 WeakPolarHBondContact CE-CD2 3.47Å; M47-H67 WeakPolarHBondContact CE-NE2 3.39Å
48A93.1Very high89.9Confident12 Ų1265.9 Ų65.910%0.09935%0.347CS..Hα-helixtrans-58.9-50.8177.500000111.1E44 D50 L51 Q52 T59 T63E44-A48 WeakPolarHBondContact O-CB 3.44Å; E44-A48 PolarHBondContact O-N 3.32Å; A48-D50 PolarHBondContact O-N 2.67Å; A48-D50 VanDerWaalsContact O-N 3.08Å; A48-L51 PolarHBondContact O-N 3.47Å; A48-Q52 WeakPolarHBondContact O-CB 3.38Å; A48-Q52 PolarHBondContact O-N 3.27Å; A48-T59 HydrophobicContact CB-CG2 4.01Å; A48-T59 VanDerWaalsContact O-CG2 3.31Å; A48-T59 WeakPolarHBondContact O-CG2 3.44Å; A48-T63 HydrophobicContact CB-CG2 4.22Å
49K92.3Very high89.8Confident178 Ų17865.7 Ų65.777%0.77435%0.346SS*.Hα-helixtrans-56.1-27.1175.3-73.2177.6-179.8-170.50114.9S45 M47S45-K49 WeakPolarHBondContact O-CG 3.47Å; S45-K49 PolarHBondContact O-N 3.14Å; M47-K49 PolarHBondContact O-N 3.25Å
50D92.2Very high89.9Confident27 Ų2768 Ų6814%0.14435%0.352CS..Hα-helixtrans-85.6-46.8179.6-140.2-28000111.1Y33 M37 K42 M47 A48 Q52Y33-D50 WeakPolarHBondContact CE1-OD1 3.4Å; Y33-D50 PolarHBondContact OH-OD1 2.59Å; Y33-D50 PolarHBondContact OH-OD2 2.99Å; M37-D50 HydrophobicContact CE-CB 4.37Å; M37-D50 HydrophobicContact SD-CB 3.76Å; M37-D50 VanDerWaalsContact SD-OD2 3.33Å; K42-D50 IonicContact NZ-OD2 3.37Å; K42-D50 PolarHBondContact NZ-OD2 2.76Å; M47-D50 WeakPolarHBondContact O-CB 3.46Å; M47-D50 PolarHBondContact O-N 3.24Å; M47-D50 VanDerWaalsContact O-N 3.11Å; A48-D50 PolarHBondContact O-N 2.67Å; A48-D50 VanDerWaalsContact O-N 3.08Å; D50-Q52 VanDerWaalsContact C-N 3.32Å; D50-Q52 PolarHBondContact O-N 3.43Å
51L91Very high90Very high0 Ų070 Ų700%036%0.356CS..Hα-helixtrans-77.8-15.2-177.2-67.4175.3000113.3L30 I34 M37 M47 A48 L53 F54 L55 T59 F62 T63L30-L51 HydrophobicContact CD1-CD2 3.93Å; I34-L51 HydrophobicContact CD1-CD2 4.13Å; I34-L51 HydrophobicContact CG1-CD1 4.25Å; I34-L51 HydrophobicContact CG1-CD2 3.76Å; M37-L51 HydrophobicContact CE-CD1 4.23Å; M37-L51 HydrophobicContact CE-CD2 3.68Å; M37-L51 HydrophobicContact CE-CG 3.81Å; M47-L51 HydrophobicContact CB-CD1 4.48Å; M47-L51 WeakPolarHBondContact O-CB 3.34Å; M47-L51 WeakPolarHBondContact O-CG 3.42Å; M47-L51 PolarHBondContact O-N 2.85Å; A48-L51 PolarHBondContact O-N 3.47Å; L51-L53 PolarHBondContact O-N 3.34Å; L51-L53 VanDerWaalsContact O-N 3.15Å; L51-F54 PolarHBondContact O-N 3.42Å; L51-L55 HydrophobicContact CB-CD1 4.23Å; L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 PolarHBondContact O-N 3.45Å; L51-T59 HydrophobicContact CB-CG2 3.94Å; L51-T59 PolarHBondContact O-OG1 3.5Å; L51-F62 HydrophobicContact CD1-CD1 3.86Å; L51-F62 HydrophobicContact CD1-CE1 3.83Å; L51-T63 HydrophobicContact CD1-CG2 4.21Å
52Q90.6Very high90.3Very high90 Ų9064.5 Ų64.542%0.42133%0.332SS..Hα-helixtrans-54.3-34.1175.8-165.363.726.600112.6A48 D50 F54 G56 T59A48-Q52 WeakPolarHBondContact O-CB 3.38Å; A48-Q52 PolarHBondContact O-N 3.27Å; D50-Q52 VanDerWaalsContact C-N 3.32Å; D50-Q52 PolarHBondContact O-N 3.43Å; Q52-F54 VanDerWaalsContact C-N 3.3Å; Q52-F54 PolarHBondContact O-N 3.33Å; Q52-G56 PolarHBondContact NE2-O 2.92Å; Q52-G56 VanDerWaalsContact NE2-O 3.14Å; Q52-G56 WeakPolarHBondContact O-CA 3.37Å; Q52-G56 PolarHBondContact O-N 3.4Å; Q52-G56 VanDerWaalsContact O-N 3.17Å; Q52-G56 PolarHBondContact OE1-O 2.97Å; Q52-T59 WeakPolarHBondContact CA-OG1 3.36Å; Q52-T59 VanDerWaalsContact OE1-CB 3.27Å; Q52-T59 PolarHBondContact OE1-OG1 3Å
53L86.9Confident90.5Very high153 Ų15361.5 Ų61.580%0.80132%0.319SS*.Hα-helixtrans-73.4-18.8177.9-60.4178.5000113.8L51L51-L53 PolarHBondContact O-N 3.34Å; L51-L53 VanDerWaalsContact O-N 3.15Å
54F88Confident90.6Very high76 Ų7663.7 Ų63.733%0.33332%0.323SS..Hα-helixtrans-111.1-33.6-175.3-60.4-83.6000113.3L30 Y33 L51 Q52 L230L30-F54 HydrophobicContact CD1-CB 4.02Å; L30-F54 HydrophobicContact CD1-CD1 4.04Å; L30-F54 HydrophobicContact CD1-CD2 4.11Å; L30-F54 HydrophobicContact CD1-CG 3.8Å; L30-F54 HydrophobicContact CD2-CB 4.02Å; Y33-F54 HydrophobicContact CD1-CE2 4.46Å; Y33-F54 HydrophobicContact CE1-CE2 4.27Å; L51-F54 PolarHBondContact O-N 3.42Å; Q52-F54 VanDerWaalsContact C-N 3.3Å; Q52-F54 PolarHBondContact O-N 3.33Å; F54-L230 HydrophobicContact CE1-CD1 4.42Å; F54-L230 HydrophobicContact CZ-CD1 4.12Å
55L86.6Confident90.7Very high12 Ų1263.2 Ų63.26%0.06332%0.318CS..Hα-helixtrans-115.3-8.1-173.6-57.3-178.5000113.6L19 L30 L51 E57 H58 T59 F62L19-L55 HydrophobicContact CD2-CD1 4.22Å; L19-L55 HydrophobicContact CD2-CD2 3.67Å; L30-L55 HydrophobicContact CD2-CD2 4.2Å; L51-L55 HydrophobicContact CB-CD1 4.23Å; L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 PolarHBondContact O-N 3.45Å; L55-E57 PolarHBondContact O-N 3.11Å; L55-H58 WeakPolarHBondContact O-CB 3.39Å; L55-H58 PolarHBondContact O-N 3.21Å; L55-T59 WeakPolarHBondContact CB-OG1 3.46Å; L55-F62 HydrophobicContact CD1-CB 3.94Å; L55-F62 HydrophobicContact CD1-CD1 3.57Å; L55-F62 HydrophobicContact CD1-CD2 4.3Å; L55-F62 HydrophobicContact CD1-CE1 4.15Å; L55-F62 HydrophobicContact CD1-CG 3.66Å
56G86.6Confident90.8Very high28 Ų2859.3 Ų59.329%0.28929%0.291SS..G310 helixtrans52.6-124.3176.200000112.8Q52 H58 T59Q52-G56 PolarHBondContact NE2-O 2.92Å; Q52-G56 VanDerWaalsContact NE2-O 3.14Å; Q52-G56 WeakPolarHBondContact O-CA 3.37Å; Q52-G56 PolarHBondContact O-N 3.4Å; Q52-G56 VanDerWaalsContact O-N 3.17Å; Q52-G56 PolarHBondContact OE1-O 2.97Å; G56-H58 PolarHBondContact O-N 2.93Å; G56-T59 PolarHBondContact N-OG1 3.1Å; G56-T59 VanDerWaalsContact O-CB 3.24Å; G56-T59 WeakPolarHBondContact O-CB 3.45Å; G56-T59 PolarHBondContact O-N 3.31Å; G56-T59 PolarHBondContact O-OG1 2.97Å
57E87.5Confident90.7Very high173 Ų17361 Ų6181%0.80829%0.294SS*.G310 helixtrans-62.8-22.7178.6-62.4175.3-163.600114.4L55 T59L55-E57 PolarHBondContact O-N 3.11Å; E57-T59 VanDerWaalsContact C-N 3.27Å; E57-T59 PolarHBondContact O-N 3.46Å
58H86.5Confident90.7Very high70 Ų7067 Ų6732%0.32432%0.322SS..G310 helixtrans-82-8.2-178.5-59.7-13.1000112.8L22 L55 G56 K61 F62L22-H58 HydrophobicContact CD1-CB 4.4Å; L22-H58 HydrophobicContact CD2-CB 4.33Å; L55-H58 WeakPolarHBondContact O-CB 3.39Å; L55-H58 PolarHBondContact O-N 3.21Å; G56-H58 PolarHBondContact O-N 2.93Å; H58-K61 PolarHBondContact O-N 3.21Å; H58-F62 WeakPolarHBondContact O-CB 3.36Å; H58-F62 PolarHBondContact O-N 2.9Å
59T91.3Very high90.6Very high0 Ų066.9 Ų66.90%032%0.32CS..Hα-helixtrans-54.5-57-175.1-59.20000113.5A48 L51 Q52 L55 G56 E57 K61 F62 T63A48-T59 HydrophobicContact CB-CG2 4.01Å; A48-T59 VanDerWaalsContact O-CG2 3.31Å; A48-T59 WeakPolarHBondContact O-CG2 3.44Å; L51-T59 HydrophobicContact CB-CG2 3.94Å; L51-T59 PolarHBondContact O-OG1 3.5Å; Q52-T59 WeakPolarHBondContact CA-OG1 3.36Å; Q52-T59 VanDerWaalsContact OE1-CB 3.27Å; Q52-T59 PolarHBondContact OE1-OG1 3Å; L55-T59 WeakPolarHBondContact CB-OG1 3.46Å; G56-T59 PolarHBondContact N-OG1 3.1Å; G56-T59 VanDerWaalsContact O-CB 3.24Å; G56-T59 WeakPolarHBondContact O-CB 3.45Å; G56-T59 PolarHBondContact O-N 3.31Å; G56-T59 PolarHBondContact O-OG1 2.97Å; E57-T59 VanDerWaalsContact C-N 3.27Å; E57-T59 PolarHBondContact O-N 3.46Å; T59-K61 PolarHBondContact O-N 2.93Å; T59-F62 CarbonylContact O-C 3.49Å; T59-F62 WeakPolarHBondContact O-CA 3.41Å; T59-F62 WeakPolarHBondContact O-CB 3.38Å; T59-F62 PolarHBondContact O-N 3.25Å; T59-T63 PolarHBondContact O-N 3.36Å; T59-T63 PolarHBondContact O-OG1 3.32Å
60N90.5Very high90.5Very high87 Ų8759.2 Ų59.247%0.46529%0.288SS..Hα-helixtrans-62.2-47.2-175.6-60.9-34.1000111.3F62 T63 E64N60-F62 PolarHBondContact O-N 3.29Å; N60-F62 VanDerWaalsContact O-N 3.15Å; N60-T63 WeakPolarHBondContact CA-OG1 3.36Å; N60-T63 PolarHBondContact O-N 3.39Å; N60-T63 VanDerWaalsContact O-N 3.08Å; N60-T63 PolarHBondContact O-OG1 2.86Å; N60-E64 WeakPolarHBondContact O-CB 3.23Å; N60-E64 VanDerWaalsContact O-CG 3.29Å; N60-E64 WeakPolarHBondContact O-CG 3.33Å; N60-E64 PolarHBondContact O-N 3.36Å
61K91.4Very high90.3Very high145 Ų14564.1 Ų64.163%0.6331%0.31SS*.Hα-helixtrans-60.1-25.5174.8-65.4172.7-179.4168.30113H58 T59 W65H58-K61 PolarHBondContact O-N 3.21Å; T59-K61 PolarHBondContact O-N 2.93Å; K61-W65 WeakPolarHBondContact O-CB 3.42Å
62F93.2Very high90.3Very high0 Ų068.5 Ų68.50%033%0.333CS..Hα-helixtrans-82.9-41173.7179.4-93.5000112.2V15 K18 L19 L22 I34 L51 L55 H58 T59 N60 W65 L66V15-F62 HydrophobicContact CG1-CZ 4.24Å; V15-F62 HydrophobicContact CG2-CZ 4.48Å; K18-F62 HydrophobicContact CB-CE2 4.23Å; K18-F62 HydrophobicContact CG-CD2 3.85Å; K18-F62 HydrophobicContact CG-CE2 3.87Å; L19-F62 HydrophobicContact CD2-CD2 4.42Å; L19-F62 HydrophobicContact CD2-CE2 3.91Å; L19-F62 HydrophobicContact CD2-CZ 4.17Å; L19-F62 HydrophobicContact CG-CE2 4.11Å; L19-F62 HydrophobicContact CG-CZ 4.39Å; L22-F62 HydrophobicContact CD1-CB 4.24Å; L22-F62 HydrophobicContact CD1-CD2 3.81Å; L22-F62 HydrophobicContact CD1-CG 4.42Å; I34-F62 HydrophobicContact CD1-CE1 3.92Å; I34-F62 HydrophobicContact CD1-CZ 3.88Å; L51-F62 HydrophobicContact CD1-CD1 3.86Å; L51-F62 HydrophobicContact CD1-CE1 3.83Å; L55-F62 HydrophobicContact CD1-CB 3.94Å; L55-F62 HydrophobicContact CD1-CD1 3.57Å; L55-F62 HydrophobicContact CD1-CD2 4.3Å; L55-F62 HydrophobicContact CD1-CE1 4.15Å; L55-F62 HydrophobicContact CD1-CG 3.66Å; H58-F62 WeakPolarHBondContact O-CB 3.36Å; H58-F62 PolarHBondContact O-N 2.9Å; T59-F62 CarbonylContact O-C 3.49Å; T59-F62 WeakPolarHBondContact O-CA 3.41Å; T59-F62 WeakPolarHBondContact O-CB 3.38Å; T59-F62 PolarHBondContact O-N 3.25Å; N60-F62 PolarHBondContact O-N 3.29Å; N60-F62 VanDerWaalsContact O-N 3.15Å; F62-W65 HydrophobicContact CD2-CE3 4.11Å; F62-W65 HydrophobicContact CD2-CZ3 4.34Å; F62-W65 HydrophobicContact CE2-CE3 4.01Å; F62-W65 AromaticContact CE2-CZ3 3.77Å; F62-W65 HydrophobicContact CE2-CZ3 3.77Å; F62-W65 HydrophobicContact CZ-CZ3 4.21Å; F62-W65 PolarHBondContact O-N 2.72Å; F62-L66 HydrophobicContact CE1-CD2 4.05Å; F62-L66 VanDerWaalsContact O-CB 3.25Å; F62-L66 WeakPolarHBondContact O-CB 3.33Å; F62-L66 PolarHBondContact O-N 3.29Å
63T92.9Very high90Very high2 Ų265.1 Ų65.11%0.01232%0.318CS..Hα-helixtrans-69.9-40.2179.7530000112.6M47 A48 L51 T59 N60 L66 H67M47-T63 HydrophobicContact CB-CG2 3.97Å; A48-T63 HydrophobicContact CB-CG2 4.22Å; L51-T63 HydrophobicContact CD1-CG2 4.21Å; T59-T63 PolarHBondContact O-N 3.36Å; T59-T63 PolarHBondContact O-OG1 3.32Å; N60-T63 WeakPolarHBondContact CA-OG1 3.36Å; N60-T63 PolarHBondContact O-N 3.39Å; N60-T63 VanDerWaalsContact O-N 3.08Å; N60-T63 PolarHBondContact O-OG1 2.86Å; T63-L66 PolarHBondContact O-N 3.44Å; T63-H67 WeakPolarHBondContact O-CB 3.47Å; T63-H67 PolarHBondContact O-CD2 3.19Å; T63-H67 PolarHBondContact O-N 2.9Å
64E93.1Very high89.9Confident107 Ų10762.6 Ų62.650%0.530%0.3SS..Hα-helixtrans-56-52.8171.8-71.3165.3-162.900110.3E44 N60 L66 H67 Q68E44-E64 WeakPolarHBondContact OE1-CA 3.45Å; E44-E64 VanDerWaalsContact OE1-CG 3.24Å; E44-E64 WeakPolarHBondContact OE1-CG 3.14Å; E44-E64 PolarHBondContact OE1-N 2.92Å; N60-E64 WeakPolarHBondContact O-CB 3.23Å; N60-E64 VanDerWaalsContact O-CG 3.29Å; N60-E64 WeakPolarHBondContact O-CG 3.33Å; N60-E64 PolarHBondContact O-N 3.36Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 2.69Å; E64-H67 PolarHBondContact O-N 3.47Å; E64-Q68 WeakPolarHBondContact O-CB 3.2Å; E64-Q68 PolarHBondContact O-N 3.02Å
65W94.3Very high89.7Confident56 Ų5661.3 Ų61.321%0.21230%0.304CS..Hα-helixtrans-61.2-38.3178.1169.284.6000112.4R14 V15 K18 K61 F62 T69R14-W65 HydrophobicContact CB-CH2 4.32Å; R14-W65 WeakPolarHBondContact O-CH2 3.44Å; V15-W65 HydrophobicContact CG2-CZ3 4.39Å; K18-W65 HydrophobicContact CB-CE3 4.23Å; K18-W65 HydrophobicContact CB-CH2 3.41Å; K18-W65 VanDerWaalsContact CB-CH2 3.41Å; K18-W65 HydrophobicContact CB-CZ2 3.71Å; K18-W65 HydrophobicContact CB-CZ3 3.69Å; K18-W65 HydrophobicContact CD-CD2 3.95Å; K18-W65 HydrophobicContact CD-CE3 4.33Å; K18-W65 HydrophobicContact CD-CG 4.39Å; K18-W65 HydrophobicContact CD-CZ2 4.16Å; K18-W65 HydrophobicContact CG-CD2 3.82Å; K18-W65 HydrophobicContact CG-CE3 3.68Å; K18-W65 HydrophobicContact CG-CH2 3.81Å; K18-W65 HydrophobicContact CG-CZ2 3.93Å; K18-W65 HydrophobicContact CG-CZ3 3.67Å; K61-W65 WeakPolarHBondContact O-CB 3.42Å; F62-W65 HydrophobicContact CD2-CE3 4.11Å; F62-W65 HydrophobicContact CD2-CZ3 4.34Å; F62-W65 HydrophobicContact CE2-CE3 4.01Å; F62-W65 AromaticContact CE2-CZ3 3.77Å; F62-W65 HydrophobicContact CE2-CZ3 3.77Å; F62-W65 HydrophobicContact CZ-CZ3 4.21Å; F62-W65 PolarHBondContact O-N 2.72Å; W65-T69 HydrophobicContact CZ2-CG2 4.43Å; W65-T69 WeakPolarHBondContact O-CB 3.46Å; W65-T69 PolarHBondContact O-N 2.9Å; W65-T69 PolarHBondContact O-OG1 3.15Å
66L93.3Very high89.1Confident0 Ų067 Ų670%033%0.332CS..Hα-helixtrans-68-45.2178.8179.760.6000110.7V11 V15 I34 V38 M47 F62 T63 E64 T69 L70V11-L66 HydrophobicContact CG1-CD1 4.47Å; V15-L66 HydrophobicContact CG2-CD1 3.78Å; I34-L66 HydrophobicContact CG2-CD2 3.83Å; V38-L66 HydrophobicContact CG2-CD1 4.37Å; V38-L66 HydrophobicContact CG2-CD2 4.13Å; M47-L66 HydrophobicContact CE-CD2 3.95Å; M47-L66 HydrophobicContact SD-CD2 3.91Å; F62-L66 HydrophobicContact CE1-CD2 4.05Å; F62-L66 VanDerWaalsContact O-CB 3.25Å; F62-L66 WeakPolarHBondContact O-CB 3.33Å; F62-L66 PolarHBondContact O-N 3.29Å; T63-L66 PolarHBondContact O-N 3.44Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 2.69Å; L66-T69 PolarHBondContact O-N 3.17Å; L66-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.37Å; L66-L70 HydrophobicContact CG-CD1 4.09Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.3Å; L66-L70 PolarHBondContact O-N 2.81Å
67H90.9Very high88.1Confident64 Ų6468 Ų6830%0.29634%0.343SS..Hα-helixtrans-60.3-50.6174.9-94-105.6000111.8E44 M47 T63 E64 T69 L70 E71E44-H67 WeakPolarHBondContact CA-NE2 3.38Å; E44-H67 WeakPolarHBondContact CB-NE2 3.24Å; E44-H67 PolarHBondContact N-NE2 3.48Å; E44-H67 IonicContact OE2-CG 3.94Å; M47-H67 VanDerWaalsContact CE-CD2 3.41Å; M47-H67 WeakPolarHBondContact CE-CD2 3.47Å; M47-H67 WeakPolarHBondContact CE-NE2 3.39Å; T63-H67 WeakPolarHBondContact O-CB 3.47Å; T63-H67 PolarHBondContact O-CD2 3.19Å; T63-H67 PolarHBondContact O-N 2.9Å; E64-H67 PolarHBondContact O-N 3.47Å; H67-T69 VanDerWaalsContact C-N 3.3Å; H67-T69 PolarHBondContact O-N 3.15Å; H67-L70 PolarHBondContact O-N 3.09Å; H67-E71 PolarHBondContact O-N 3.34Å
68Q91.8Very high86.6Confident126 Ų12668.2 Ų68.259%0.58934%0.336SS*.Hα-helixtrans-61.3-38.5177.3-170.4-176.273.100111.9E64 N72E64-Q68 WeakPolarHBondContact O-CB 3.2Å; E64-Q68 PolarHBondContact O-N 3.02Å; Q68-N72 WeakPolarHBondContact O-CB 3.43Å; Q68-N72 VanDerWaalsContact O-CG 3.25Å; Q68-N72 PolarHBondContact O-N 3.36Å; Q68-N72 PolarHBondContact O-ND2 3.44Å; Q68-N72 VanDerWaalsContact O-ND2 3.09Å
69T91.5Very high85.2Confident10 Ų1071.3 Ų71.36%0.06136%0.355CS..Hα-helixtrans-64.3-46.9175.3-66.50000111.2W65 L66 H67 E71 N72 L73W65-T69 HydrophobicContact CZ2-CG2 4.43Å; W65-T69 WeakPolarHBondContact O-CB 3.46Å; W65-T69 PolarHBondContact O-N 2.9Å; W65-T69 PolarHBondContact O-OG1 3.15Å; L66-T69 PolarHBondContact O-N 3.17Å; H67-T69 VanDerWaalsContact C-N 3.3Å; H67-T69 PolarHBondContact O-N 3.15Å; T69-E71 VanDerWaalsContact C-N 3.33Å; T69-E71 PolarHBondContact O-N 3.41Å; T69-N72 PolarHBondContact O-N 3.48Å; T69-L73 HydrophobicContact CG2-CD1 3.59Å; T69-L73 WeakPolarHBondContact O-CD1 3.48Å; T69-L73 PolarHBondContact O-N 3.25Å
70L90.6Very high83.5Confident18 Ų1876.4 Ų76.49%0.09439%0.391CS..Hα-helixtrans-61.7-39.1178.2-73.2166.6000112.6F7 V11 V38 L66 H67 K74F7-L70 HydrophobicContact CE1-CD2 3.89Å; F7-L70 HydrophobicContact CZ-CD2 4.14Å; V11-L70 HydrophobicContact CG1-CD2 3.99Å; V11-L70 HydrophobicContact CG2-CD2 3.75Å; V38-L70 HydrophobicContact CG1-CD1 4.01Å; V38-L70 HydrophobicContact CG1-CD2 3.65Å; V38-L70 HydrophobicContact CG2-CD1 3.97Å; L66-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.37Å; L66-L70 HydrophobicContact CG-CD1 4.09Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.3Å; L66-L70 PolarHBondContact O-N 2.81Å; H67-L70 PolarHBondContact O-N 3.09Å; L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.03Å
71E88.4Confident81.8Confident130 Ų13076.8 Ų76.861%0.60740%0.4SS*.Hα-helixtrans-66.5-44.8174.2-176.2139.8-114.400111.9H67 T69 L73 K74 A75H67-E71 PolarHBondContact O-N 3.34Å; T69-E71 VanDerWaalsContact C-N 3.33Å; T69-E71 PolarHBondContact O-N 3.41Å; E71-L73 PolarHBondContact O-N 3.39Å; E71-K74 CarbonylContact O-C 3.57Å; E71-K74 WeakPolarHBondContact O-CB 3.37Å; E71-K74 PolarHBondContact O-N 3.24Å; E71-K74 VanDerWaalsContact O-N 3.12Å; E71-A75 PolarHBondContact O-N 2.91Å
72N90Very high79.8Confident91 Ų9176.4 Ų76.449%0.48741%0.405SS..Hα-helixtrans-60.9-43.8177.5-77.7-34.9000113Q68 T69 K74 A75 M76Q68-N72 WeakPolarHBondContact O-CB 3.43Å; Q68-N72 VanDerWaalsContact O-CG 3.25Å; Q68-N72 PolarHBondContact O-N 3.36Å; Q68-N72 PolarHBondContact O-ND2 3.44Å; Q68-N72 VanDerWaalsContact O-ND2 3.09Å; T69-N72 PolarHBondContact O-N 3.48Å; N72-K74 VanDerWaalsContact C-N 3.34Å; N72-A75 PolarHBondContact O-N 2.93Å; N72-M76 WeakPolarHBondContact O-CB 3.39Å; N72-M76 PolarHBondContact O-N 2.84Å; N72-M76 VanDerWaalsContact O-N 3.14Å
73L84.8Confident77.7Confident19 Ų1979.6 Ų79.610%0.09944%0.438CS..Hα-helixtrans-66-36.8173.5-81.283.7000111.7F7 T10 V11 T69 E71 M76 G77F7-L73 HydrophobicContact CD2-CB 4.35Å; F7-L73 HydrophobicContact CE2-CB 3.52Å; F7-L73 HydrophobicContact CE2-CD2 4.32Å; F7-L73 HydrophobicContact CZ-CB 3.96Å; T10-L73 HydrophobicContact CG2-CD2 3.86Å; V11-L73 HydrophobicContact CG2-CD2 3.96Å; T69-L73 HydrophobicContact CG2-CD1 3.59Å; T69-L73 WeakPolarHBondContact O-CD1 3.48Å; T69-L73 PolarHBondContact O-N 3.25Å; E71-L73 PolarHBondContact O-N 3.39Å; L73-M76 PolarHBondContact O-N 3.4Å; L73-G77 PolarHBondContact O-N 2.99Å
74K84.9Confident75.7Confident100 Ų10091.2 Ų91.244%0.43548%0.481SS..Hα-helixtrans-69.1-31.4179.3178.6-173170.5-1590112.6L70 E71 N72 R78L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.03Å; E71-K74 CarbonylContact O-C 3.57Å; E71-K74 WeakPolarHBondContact O-CB 3.37Å; E71-K74 PolarHBondContact O-N 3.24Å; E71-K74 VanDerWaalsContact O-N 3.12Å; N72-K74 VanDerWaalsContact C-N 3.34Å; K74-R78 WeakPolarHBondContact O-CG 3.44Å
75A82.9Confident73.6Confident50 Ų5096.3 Ų96.341%0.41350%0.496SS..Hα-helixtrans-66.3-56.5169.200000110.4E71 N72 G77 R78E71-A75 PolarHBondContact O-N 2.91Å; N72-A75 PolarHBondContact O-N 2.93Å; A75-G77 PolarHBondContact O-N 3.41Å; A75-G77 VanDerWaalsContact O-N 3.11Å; A75-R78 WeakPolarHBondContact O-CB 3.31Å; A75-R78 PolarHBondContact O-N 3.14Å
76M73.8Confident71.5Confident131 Ų131101.1 Ų101.165%0.64553%0.526SS*.Hα-helixtrans-57.3-30.2-178.1-167.2169.8-71.900113.8N72 L73 R78 S80N72-M76 WeakPolarHBondContact O-CB 3.39Å; N72-M76 PolarHBondContact O-N 2.84Å; N72-M76 VanDerWaalsContact O-N 3.14Å; L73-M76 PolarHBondContact O-N 3.4Å; M76-R78 VanDerWaalsContact C-N 3.34Å; M76-R78 PolarHBondContact O-N 3.32Å; M76-S80 PolarHBondContact O-OG 2.93Å
77G65.7Low69.2Low50 Ų50108.7 Ų108.752%0.51557%0.566SS.*Hα-helixtrans-72.2-16.3174.400000115.6L73 A75L73-G77 PolarHBondContact O-N 2.99Å; A75-G77 PolarHBondContact O-N 3.41Å; A75-G77 VanDerWaalsContact O-N 3.11Å
78R57.6Low67.1Low176 Ų176115 Ų11566%0.66460%0.596SS**Hα-helixtrans-84.4-48.9179-67.3176.774.8168.21.4111.5K74 A75 M76 S80 S81K74-R78 WeakPolarHBondContact O-CG 3.44Å; A75-R78 WeakPolarHBondContact O-CB 3.31Å; A75-R78 PolarHBondContact O-N 3.14Å; M76-R78 VanDerWaalsContact C-N 3.34Å; M76-R78 PolarHBondContact O-N 3.32Å; R78-S80 PolarHBondContact O-N 2.98Å; R78-S80 VanDerWaalsContact O-N 3.16Å; R78-S81 PolarHBondContact O-N 3.09Å; R78-S81 PolarHBondContact O-OG 3.24Å
79D56.3Low65Low136 Ų136114 Ų11473%0.72760%0.603SS**Hα-helixtrans-62.7-25.9-176.2-57.7-47.5000113S81D79-S81 PolarHBondContact O-N 3.23Å
80S56.7Low63.1Low107 Ų107119.5 Ų119.575%0.74864%0.636SS**THydrogen-bonded Turntrans-72.3-4.7177.1-61.10000114.7M76 R78M76-S80 PolarHBondContact O-OG 2.93Å; R78-S80 PolarHBondContact O-N 2.98Å; R78-S80 VanDerWaalsContact O-N 3.16Å
81S54.4Low60.8Low94 Ų94130.6 Ų130.666%0.65768%0.677SS**THydrogen-bonded Turntrans-111.8-18.6-171.768.10000116R78 D79R78-S81 PolarHBondContact O-N 3.09Å; R78-S81 PolarHBondContact O-OG 3.24Å; D79-S81 PolarHBondContact O-N 3.23Å
82D49.4Very low58.6Low138 Ų138130.1 Ų130.174%0.73869%0.688SS**SBendtrans-106.224.9-175.9-145.78000113.5
83G47.7Very low56.8Low67 Ų67130.8 Ų130.869%0.69170%0.7SS**  trans-107.919.7-179.300000115.1
84R51.6Low55Low246 Ų246141.5 Ų141.593%0.92874%0.739SS**SBendtrans-134.931.7-175.2-90.2-168.4174.8-1710.6115.5
85R49.1Very low53.1Low214 Ų214142.4 Ų142.481%0.80876%0.758SS**SBendtrans-110.9171.7151.6-71175.4174158.6-1.1108
86D49.3Very low51.5Low157 Ų157150 Ų15084%0.8478%0.781SS**  trans65.755.3179.8-54.8-16.1000117.2
87N44.9Very low50.2Low159 Ų159149.2 Ų149.285%0.8579%0.789SS**  trans-146.650158.4-157.5-7000114.1
88E47.9Very low49.4Very low195 Ų195158 Ų15891%0.91181%0.806SS**SBendtrans-120.8-12.8171.4-149.1-168.8108.800113.3
89S48.2Very low48.9Very low105 Ų105161.5 Ų161.573%0.73482%0.82SS**SBendtrans-101.25.8-161.551.40000116.7
90V51.1Low48.5Very low126 Ų126166.8 Ų166.876%0.76483%0.829SS**  trans-129.653.2-173.4-159.10000114.1
91R42.8Very low47.9Very low251 Ų251173.9 Ų173.995%0.94784%0.84SS**  trans-135.651166-73.8-165.4173.6171.80.4114.1
92S42.4Very low47.2Very low121 Ų121173 Ų17385%0.84685%0.845SS**  trans-126.776.5171.1-168.50000112.2
93S50.9Low47Very low105 Ų105177.4 Ų177.473%0.73485%0.852SS**  trans-161.2130.9162.366.30000112.7
94R46.8Very low46.7Very low243 Ų243185.5 Ų185.592%0.91786%0.861SS**  trans67.6141.6173.9-51.3162112.2121.6-5.2113.4
95S46.6Very low46.1Very low119 Ų119178.7 Ų178.783%0.83285%0.852SS**  cis-134.2164.518.3-76.30000114.4
96K48.5Very low45.8Very low210 Ų210180 Ų18091%0.91386%0.856SS**  trans-81.1134.8-177.2-62.5165.3175.9169.80113.2
97S47Very low45.3Very low114 Ų114177.6 Ų177.680%0.79785%0.852SS**  trans-170.5101.1137.2-160.40000110.9
98R48.5Very low45.2Very low234 Ų234173.9 Ų173.988%0.88384%0.839SS**  60.190.388.4-81.6-170.7165.2-169.5-2.3117
99R45.9Very low44.8Very low251 Ų251173 Ų17395%0.94783%0.834SS**  trans170.796.4137.1-93.4159.2-168-133.33.7107.6
100R48.2Very low44.6Very low246 Ų246172.3 Ų172.393%0.92883%0.829SS**  67.6129.161.6-99.4-170176.6-169.4-1.2115.6
101R44.8Very low44.3Very low257 Ų257177.7 Ų177.797%0.9784%0.836SS**  trans87139.1-177.3-58.6-176.6174.5-163-1.3115.1
102G40.1Very low44.4Very low75 Ų75171.3 Ų171.377%0.77383%0.83SS**  cis174.284.1-7.600000118.7
103R43.9Very low44.4Very low231 Ų231169.2 Ų169.287%0.87283%0.828SS**  trans20.5119.4141.2-170.1-172-165.1-147.55.6120.6
104R42.2Very low44.4Very low236 Ų236170.1 Ų170.189%0.89183%0.834SS**  trans164.7134.4145.8-87.8147.4-169.9-129.43.7106.9
105S39.4Very low44.9Very low104 Ų104164.4 Ų164.473%0.72783%0.828SS**  cis91129.411.7-44.80000116.6
106R41.9Very low45.1Very low241 Ų241163.9 Ų163.991%0.90982%0.822SS**  trans77.3121.9-176.7-67.1-177.7172.2171.7-4.6113.9
107S39.7Very low45Very low106 Ų106162.9 Ų162.974%0.74182%0.818SS**  97.1157.268.489.80000110
108S42.5Very low45Very low82 Ų82162.1 Ų162.157%0.57381%0.812SS**  cis-166.2163.3-17.339.90000108.3
109E39.4Very low45.1Very low176 Ų176157.9 Ų157.982%0.82281%0.806SS**  trans62.4164.4169.8-78.9133.899.400116.7
110S44.4Very low45.1Very low90 Ų90154.9 Ų154.963%0.62980%0.8SS**  cis-162154.8-21.153.60000110.7
111R43.8Very low44.9Very low239 Ų239152.9 Ų152.990%0.90279%0.793SS**  trans60.1159.3154.5-70.8172.3177.4-149.5-1.7116.7
112S46.5Very low44.9Very low118 Ų118146.3 Ų146.383%0.82578%0.783SS**  cis-166.8155.9-11.540.70000108.9
113G41.2Very low44.8Very low77 Ų77152.4 Ų152.479%0.79478%0.783SS**  trans154.5120.2168.400000114.7
114S50.6Low44.8Very low123 Ų123146.9 Ų146.986%0.8678%0.78SS**  trans-92.8150.3-162.9-54.20000116.4
115P58Low44.8Very low123 Ų123147 Ų14780%0.79978%0.78SS**  trans-111153.6172.239.8-33.6000114.9
116P51.5Low45Very low108 Ų108147.3 Ų147.370%0.70178%0.782SS**  trans-142.7172.1157.342.3-28.3000115.8
117K45.5Very low45.2Very low190 Ų190141 Ų14183%0.82677%0.773SS**  trans76.6108.3164.9-58.1172.3-174.31780116.5
118S47.2Very low45.5Very low98 Ų98144.5 Ų144.569%0.68578%0.782SS**  79133.259.375.60000113.6
119L50.9Low45.7Very low145 Ų145144.1 Ų144.176%0.75979%0.791SS**  -158.1144.152.3-75.8163.2000116.8
120K46Very low45.9Very low187 Ų187141.3 Ų141.381%0.81379%0.788SS**  trans19.3110.7136.7-56.4176.9-178.61770123.5
121R43Very low46Very low205 Ų205143.9 Ų143.977%0.77480%0.8SS**  9.2125.4127.1-175.5-174.6-176-148.68.2119.9R123R121-R123 HydrophobicContact CG-CB 4.27Å
122P45.1Very low46.1Very low119 Ų119141.7 Ų141.777%0.77380%0.796SS**  -143.1166.2106.539.8-27.7000113.8
123R37.5Very low45.7Very low202 Ų202144.6 Ų144.676%0.76280%0.797SS**  cis107.557.2-9-155-117.9174.7-173.50.3121.3R121R121-R123 HydrophobicContact CG-CB 4.27Å
124S43.6Very low45.7Very low115 Ų115144.6 Ų144.680%0.80480%0.797SS**  trans-160.8154.7161.3520000117.1
125R42.8Very low45.1Very low240 Ų240149 Ų14991%0.90680%0.795SS**  trans-10.8157.5151.2-71.2169.1175.7167.1-5118.3
126S43.7Very low44.2Very low110 Ų110154 Ų15477%0.76980%0.799SS**  cis-159.7-179.219.6-120.60000112.9
127P46.4Very low43.7Very low109 Ų109152.8 Ų152.871%0.70880%0.798SS**  trans-110.6-173.7-167.441.9-34.9000117.1
128L45.8Very low43.1Very low179 Ų179151.7 Ų151.794%0.93780%0.801SS**  trans111.9138.2164.5-60.2178.6000116.7
129G45.8Very low42.8Very low74 Ų74152.1 Ų152.176%0.76381%0.805SS**  trans161.1108.2176.600000113.8
130P45.2Very low42.2Very low117 Ų117150.4 Ų150.476%0.7680%0.804SS**  trans-114.9143.9-171.638.3-30.1000116
131V45.1Very low42Very low144 Ų144153 Ų15387%0.87381%0.809SS**  trans-137.697.4166.6-1730000107.3
132K46.4Very low42Very low192 Ų192151.1 Ų151.184%0.83581%0.809SS**  74.3133.778-75.3-168.5174.2-1780114.5
133H37.4Very low42Very low180 Ų180151 Ų15183%0.83381%0.808SS**  trans-79.2149.1-172.3-67.9-88.8000114.1
134G42.8Very low42.2Very low77 Ų77149.2 Ų149.279%0.79481%0.808SS**  trans-108.3135.5145.800000110.3
135R37.2Very low41.9Very low215 Ų215147.5 Ų147.581%0.81180%0.801SS**  trans-119.4-171.1166.1-69.1-168.7-174.3-1784.1108.5
136Y39.7Very low41.8Very low227 Ų227144 Ų14489%0.8980%0.795SS**  trans78.7145.4175.4-57.3-89.7000114.9
137A41Very low41.9Very low83 Ų83144.6 Ų144.669%0.68679%0.794SS**  cis-162.9168.1-2200000110.9
138N32.9Very low41.8Very low167 Ų167146.8 Ų146.889%0.89380%0.799SS**  trans-66.7136.2179.7-47.5-15.4000113.1
139S40.8Very low41.5Very low108 Ų108141.3 Ų141.376%0.75579%0.787SS**  -170.5123.9128.3-157.90000107.7
140S38.4Very low41.5Very low108 Ų108143 Ų14376%0.75579%0.787SS**  cis75.977.642.7-167.40000114.5
141R41Very low41.4Very low243 Ų243142.9 Ų142.992%0.91778%0.783SS**  trans-170.6132.9150.6-108.8167.1-174.9-170.1-0.8111.1
142E42.6Very low41.5Very low165 Ų165144.8 Ų144.877%0.77178%0.78SS**  trans-83.4170.2149.9-61.6-160.9137.300109.1
143P46.4Very low41.2Very low116 Ų116140.4 Ų140.475%0.75378%0.78SS**  -148.1145.698.537.7-21.5000117.1
144H40.4Very low41.6Very low165 Ų165136.2 Ų136.276%0.76478%0.776SS**  trans22.2121.4133.2-62.8-86.6000122.4
145A38.3Very low42Very low78 Ų78136.4 Ų136.465%0.64577%0.77SS**  75.2174.811700000121.7
146E41.5Very low42.3Very low166 Ų166133.3 Ų133.378%0.77677%0.77SS**  trans64148.2179.9-43.7-47.1103.500118.5
147V45.8Very low42.9Very low124 Ų124129.3 Ų129.375%0.75277%0.768SS**  cis-171.3157.5-45.2126.20000109.4
148D43.5Very low42.8Very low154 Ų154134 Ų13482%0.82477%0.77SS**  trans71.3165.4167.5-145.2-9.8000119.5
149G38.6Very low43.6Very low65 Ų65132.2 Ų132.267%0.6777%0.765SS**  trans179.5-35.217400000121.5
150S46.4Very low43.7Very low110 Ų110130.4 Ų130.477%0.76975%0.752SS**  trans58.6174.7178.2-81.50000119.1
151V44.3Very low44.2Very low113 Ų113133.5 Ų133.569%0.68576%0.755SS**  -166.6172.1-53.396.90000110.7
152K45.2Very low44.4Very low184 Ų184127.9 Ų127.980%0.874%0.743SS**  trans88.1128.2178.4-50.6-170.2-179.9670114.9
153A41.6Very low44.2Very low101 Ų101126.4 Ų126.484%0.83574%0.74SS**  cis86.3150.13800000113.1
154A46Very low43.9Very low92 Ų92129 Ų12976%0.7674%0.743SS**  cis-153.6178.216.400000113.5
155A49.6Very low43.7Very low80 Ų80124.9 Ų124.966%0.66173%0.732SS**  trans68.2156.3154.500000118.6
156D45Very low43.8Very low151 Ų151132.1 Ų132.181%0.80774%0.744SS**  cis-160.6-170.9-25-95.1-25.7000106.5
157V51.6Low43.5Very low142 Ų142130.3 Ų130.386%0.86174%0.735SS**  cis-149167.223.6-165.60000110.9
158Y39.6Very low43.4Very low181 Ų181132.5 Ų132.571%0.7174%0.741SS**  trans-79.7152-177178.3-100.8000116.4
159V49.4Very low43.3Very low130 Ų130132.4 Ų132.479%0.78873%0.733SS**  179.8148.7129.5152.50000108.9
160S41.8Very low43.7Very low71 Ų71138.3 Ų138.350%0.49774%0.744SS.*  trans-114-161.5-166-55.50000113.4
161E50.3Low43.5Very low172 Ų172139.4 Ų139.480%0.80474%0.736SS**  trans83.6135.1163.6-59.9164.4-156.700117.3
162D43.9Very low43.5Very low126 Ų126145.5 Ų145.567%0.67475%0.747SS**  cis-165.9153-21-121.89.9000112.1
163N39.2Very low43.6Very low134 Ų134144.7 Ų144.772%0.71774%0.744SS**  trans59.5154.5157.3-61.1-42.9000120.2
164E39.9Very low43.6Very low171 Ų171147.3 Ų147.380%0.79974%0.742SS**  cis-143.2170.7-3.3-138.3-179.6118.400112.5
165S35.8Very low43.5Very low77 Ų77150.7 Ų150.754%0.53874%0.744SS.*  trans-86.6150-170.11060000114.3
166Y40.5Very low42.9Very low231 Ų231151.9 Ų151.991%0.90675%0.748SS**  -142143124.1-80.1-67.3000110.1
167H35.2Very low43Very low127 Ų127150.8 Ų150.859%0.58875%0.747SS**  trans-131.7124.2-162159.6-63.5000111.7K169H167-K169 WeakPolarHBondContact NE2-CD 3.37Å; H167-K169 WeakPolarHBondContact NE2-CE 3.28Å; H167-K169 PolarHBondContact NE2-NZ 3Å
168I44.2Very low42.1Very low170 Ų170149 Ų14987%0.87274%0.74SS**  trans-125.6113.1168.1-58.3179.1000108.2
169K41.8Very low42.2Very low152 Ų152145.8 Ų145.866%0.66174%0.744SS**  trans-96126.3169.1-83.9173.7-177.8152.30109.2H167H167-K169 WeakPolarHBondContact NE2-CD 3.37Å; H167-K169 WeakPolarHBondContact NE2-CE 3.28Å; H167-K169 PolarHBondContact NE2-NZ 3Å
170E45.5Very low41.8Very low190 Ų190148.4 Ų148.489%0.88875%0.753SS**  trans-100.8102.8163.5-168175-159.100109.2R172E170-R172 PolarHBondContact O-N 3.47Å
171E42.7Very low41.9Very low132 Ų132150.3 Ų150.362%0.61777%0.766SS**  trans-78.7110.5-177.1-64.3-170.5151.800111.9K173E171-K173 VanDerWaalsContact C-N 3.3Å; E171-K173 PolarHBondContact O-N 2.73Å; E171-K173 WeakPolarHBondContact OE2-CE 3.22Å; E171-K173 IonicContact OE2-NZ 2.68Å; E171-K173 PolarHBondContact OE2-NZ 3.03Å
172R45.3Very low41.5Very low242 Ų242153.2 Ų153.291%0.91377%0.77SS**  trans-72.185164.9-69.1-173.7-174143.66110.5E170 I174E170-R172 PolarHBondContact O-N 3.47Å; R172-I174 PolarHBondContact O-N 2.96Å
173K47.2Very low42Very low166 Ų166157 Ų15772%0.72278%0.78SS**  trans-64.6119.7174.1-85.3175.3177.4157.80111.3E171E171-K173 VanDerWaalsContact C-N 3.3Å; E171-K173 PolarHBondContact O-N 2.73Å; E171-K173 WeakPolarHBondContact OE2-CE 3.22Å; E171-K173 IonicContact OE2-NZ 2.68Å; E171-K173 PolarHBondContact OE2-NZ 3.03Å
174I41.9Very low42Very low157 Ų157157.3 Ų157.381%0.80578%0.781SS**  trans-87.2107.2177.9-49.9171.8000107.6R172 S176R172-I174 PolarHBondContact O-N 2.96Å; I174-S176 PolarHBondContact O-N 2.88Å
175M43Very low42.4Very low162 Ų162154.7 Ų154.780%0.79878%0.776SS**  trans-93.891.7-179.6-72.1-172.667.600112
176S37.2Very low42.5Very low106 Ų106158 Ų15874%0.74178%0.783SS**  trans-78.7115.6163.8-63.40000110I174I174-S176 PolarHBondContact O-N 2.88Å
177T47.6Very low42.5Very low128 Ų128154.1 Ų154.179%0.78577%0.773SS**  trans-120.774.4175.8520000111.5
178S33.1Very low42.8Very low103 Ų103152.9 Ų152.972%0.7278%0.779SS**  trans-12989.217557.80000110.6
179S40.5Very low42.7Very low114 Ų114152.5 Ų152.580%0.79777%0.773SS**  trans173104.6154.6-83.20000111.5
180L41.6Very low42.6Very low186 Ų186150.9 Ų150.997%0.97477%0.772SS**  trans-139.6102.9151.3-80.6-177.2000108.1
181S44.3Very low42.2Very low111 Ų111148.3 Ų148.378%0.77676%0.764SS**  trans-112.7127.3179.3-75.60000110.4
182R41.1Very low42.2Very low233 Ų233146.7 Ų146.788%0.87977%0.768SS**  trans23.5123.1147.4-56.1176-175.7166.60.1117.7
183K54.3Low41.9Very low204 Ų204143.2 Ų143.289%0.88776%0.762SS**  trans-126.8135.6144.7-155.3172.4-173.8-178.20108.8
184I39.3Very low41.6Very low142 Ų142142.3 Ų142.373%0.72876%0.764SS**  trans-126.5136.6-177.7-64.9172.2000107.6
185V47.8Very low41.3Very low115 Ų115139.1 Ų139.170%0.69776%0.756SS**  trans-146.4115.2164-168.80000102.2
186Q39.5Very low41.4Very low146 Ų146137.9 Ų137.968%0.68275%0.752SS**  46126.995.1-69.2170.4-8700112.2
187E39.3Very low41.8Very low150 Ų150141.9 Ų141.970%0.70176%0.756SS**  cis-162.3161.914.2-131.9147.5-142.800111.7
188S41.4Very low41.8Very low102 Ų102143.2 Ų143.271%0.71376%0.756SS**  trans53.4134.4143.467.40000121.8
189E42.7Very low42.3Very low161 Ų161145.9 Ų145.975%0.75276%0.762SS**  cis-156.6170.2-12.4-43.9-170.5117.500110.2
190N39Very low42.3Very low119 Ų119147.2 Ų147.264%0.63676%0.76SS**  trans56.1143.1144.8-59.4-30.1000121.1
191N38.2Very low42.5Very low135 Ų135144.7 Ų144.772%0.72275%0.747SS**  cis-165.2160.5-17-115.7-28.2000109.9
192S41.3Very low42.4Very low99 Ų99147 Ų14769%0.69275%0.745SS**  trans55152.7163.655.10000119.4
193E40.2Very low42.1Very low168 Ų168141.5 Ų141.579%0.78574%0.742SS**  cis-151.3170.7-10.3-123.7167.378.800112.8
194L40.5Very low41.7Very low147 Ų147138.1 Ų138.177%0.7774%0.738SS**  trans-1.7124.2164.7-62.2161.2000118.5
195S35.8Very low41.8Very low90 Ų90137.3 Ų137.363%0.62974%0.74SS**  99.614955.1-160.20000113.6
196D44Very low41.6Very low136 Ų136139.9 Ų139.973%0.72775%0.745SS**  trans58.495.3165.2-59.6-66.4000120.2
197K47.1Very low41.9Very low191 Ų191138.1 Ų138.183%0.8374%0.743SS**  trans-154.1104.5135.1-109.5138.6-168.4167.90115.1
198M47.3Very low42.7Very low156 Ų156139 Ų13977%0.76875%0.745SS**  trans-19135.615457.6-149134.800119.1
199N42.2Very low42.4Very low158 Ų158140.9 Ų140.985%0.84575%0.747SS**  trans25.6107.5140.9-57.2-19.1000118.9
200N41.2Very low42.7Very low143 Ų143138.1 Ų138.177%0.76575%0.745SS**  trans-161134.2147.2-129.1-13.2000114
201L46.1Very low42.8Very low132 Ų132139.4 Ų139.469%0.69175%0.752SS**  trans60.4161.2158.7-47.1179.2000117
202Q41.3Very low43Very low160 Ų160139 Ų13975%0.74876%0.76SS**  cis-150.3165-26.2-120.4166.2-25.400108.1V204Q202-V204 PolarHBondContact O-N 3.39Å
203S36.4Very low43Very low117 Ų117141.7 Ų141.782%0.81877%0.766SS**  trans-76.4119.5174.2550000111.9
204V45.2Very low43.2Very low133 Ų133143 Ų14381%0.80677%0.769SS**  trans-122.5124.6163179.90000108.2Q202Q202-V204 PolarHBondContact O-N 3.39Å
205V41.2Very low43.2Very low126 Ų126144.1 Ų144.176%0.76477%0.77SS**  trans-98.4106.2175.9177.60000107.9V207V205-V207 HydrophobicContact CG1-CG2 4.03Å; V205-V207 PolarHBondContact O-N 3.41Å
206E44.7Very low43.2Very low169 Ų169145.6 Ų145.679%0.7977%0.774SS**  trans-84.7106.8175-166180136.600110.1
207V45.5Very low42.9Very low108 Ų108150.9 Ų150.966%0.65578%0.784SS**  trans-92.2105.9176-177.90000109.3V205V205-V207 HydrophobicContact CG1-CG2 4.03Å; V205-V207 PolarHBondContact O-N 3.41Å
208K54.7Low42.3Very low170 Ų170148.3 Ų148.374%0.73979%0.785SS**  trans-102.689.2175.6-168.1160.3-172.2164.30111.7
209N35.3Very low42.2Very low141 Ų141150.7 Ų150.775%0.75479%0.791SS**  trans-73.4131.9166.7-67.6-17.9000109.8
210S50.3Low42Very low102 Ų102150.8 Ų150.871%0.71379%0.786SS**  trans-156.6100.7166.558.30000110.4
211D39.3Very low42.1Very low147 Ų147153 Ų15379%0.78679%0.792SS**  trans-62.6145.8176.2-67.1-89.9000113.1
212S44Very low42.1Very low126 Ų126155 Ų15588%0.88179%0.791SS**  trans-159.9107155.4-84.30000110.4
213L41.3Very low42.5Very low155 Ų155153.2 Ų153.281%0.81279%0.794SS**  trans-68.8146176-62.188.2000111.3
214K42.9Very low43.3Very low196 Ų196155.8 Ų155.885%0.85279%0.793SS**  -167.7117.2127.9-102145.2-169.11740115.1
215H41.3Very low43.7Very low171 Ų171154.1 Ų154.179%0.79279%0.785SS**  trans61.4105.3143.9-82.6-98.8000123.2
216V35.9Very low45Very low120 Ų120151.7 Ų151.773%0.72777%0.774SS**  58.4105.8120.4-177.60000118.7
217R38.8Very low46.4Very low248 Ų248147.6 Ų147.694%0.93676%0.763SS**  -150.5134.7109.9-139.5168.7-177.2153.6-0.1110.8
218T33.8Very low48.1Very low137 Ų137147.5 Ų147.584%0.8476%0.759SS**  trans-90.7119.8-169.932.70000113.3
219K45.7Very low49.4Very low206 Ų206144.7 Ų144.790%0.89675%0.751SS**  trans-133.8145.9147-84-166.6172.2-172.80108.1
220Q37.9Very low51.6Low160 Ų160140.8 Ų140.875%0.74873%0.73SS**  trans-103.6108.8-170-175.6173.3-4.500109.2Y222Q220-Y222 HydrophobicContact CG-CE2 4.09Å; Q220-Y222 PolarHBondContact NE2-OH 2.98Å; Q220-Y222 VanDerWaalsContact NE2-OH 3.11Å
221E42.1Very low53Low188 Ų188141.5 Ų141.588%0.87972%0.72SS**  trans-116.5117.7-175.2-161.7165.1138.300109.3
222Y46.8Very low55.3Low175 Ų175142.7 Ų142.769%0.68671%0.714SS**PPolyproline II helixtrans-85.8143179.5-76.2-91.2000110.5Q220 Q224Q220-Y222 HydrophobicContact CG-CE2 4.09Å; Q220-Y222 PolarHBondContact NE2-OH 2.98Å; Q220-Y222 VanDerWaalsContact NE2-OH 3.11Å; Y222-Q224 PolarHBondContact O-N 3.14Å
223P49.4Very low57.1Low123 Ų123138.9 Ų138.980%0.79969%0.69SS**PPolyproline II helixtrans-68.4117.6-175.427.2-34.2000111.8
224Q53.4Low59.3Low171 Ų171133.5 Ų133.580%0.79966%0.664SS**PPolyproline II helixtrans-63.2132.1179-75.2-73.2-5.300112.2Y222 S226Y222-Q224 PolarHBondContact O-N 3.14Å; Q224-S226 PolarHBondContact O-N 3.43Å
225P53.6Low61.4Low97 Ų97128.9 Ų128.963%0.6365%0.648SS**PPolyproline II helixtrans-65.8126173.927.6-33.5000110.2L229P225-L229 HydrophobicContact CB-CD1 4.41Å
226S68.3Low63.5Low76 Ų76127.1 Ų127.153%0.53164%0.64SS.*PPolyproline II helixtrans-60.6144.7-172.4760000112.8Q224 L228 L229Q224-S226 PolarHBondContact O-N 3.43Å; S226-L228 PolarHBondContact O-N 3.02Å; S226-L229 PolarHBondContact O-N 3.49Å
227S73.9Confident65.6Low82 Ų82123.1 Ų123.157%0.57362%0.62SS**Hα-helixtrans-626.6-179.975.20000115.5K231S227-K231 VanDerWaalsContact CB-NZ 3.26Å; S227-K231 VanDerWaalsContact O-CD 3.28Å; S227-K231 WeakPolarHBondContact O-CD 3.49Å; S227-K231 WeakPolarHBondContact O-CG 3.33Å; S227-K231 PolarHBondContact O-NZ 2.86Å; S227-K231 PolarHBondContact OG-NZ 3.08Å
228L81Confident67.7Low107 Ų107116.9 Ų116.956%0.5660%0.599SS**Hα-helixtrans-80.5-32.8171.4-119.5166.4000112.2S226 R232S226-L228 PolarHBondContact O-N 3.02Å; L228-R232 PolarHBondContact O-N 3.31Å; L228-R232 VanDerWaalsContact O-N 3.08Å
229L83.6Confident70Confident111 Ų111113.4 Ų113.458%0.58158%0.584SS**Hα-helixtrans-66.4-51.8176.6-87.8165.9000111.2P225 S226 K231 R232 A233P225-L229 HydrophobicContact CB-CD1 4.41Å; S226-L229 PolarHBondContact O-N 3.49Å; L229-K231 VanDerWaalsContact C-N 3.26Å; L229-K231 PolarHBondContact O-N 3Å; L229-R232 WeakPolarHBondContact O-CB 3.41Å; L229-R232 PolarHBondContact O-N 3.35Å; L229-A233 PolarHBondContact O-N 2.82Å
230L79.9Confident71.3Confident59 Ų59107 Ų10731%0.30957%0.566SS.*Hα-helixtrans-59.1-38.3177.9-162.968.5000111.7E29 F54 R232 A233 V234E29-L230 WeakPolarHBondContact OE2-CD2 3.41Å; F54-L230 HydrophobicContact CE1-CD1 4.42Å; F54-L230 HydrophobicContact CZ-CD1 4.12Å; L230-R232 PolarHBondContact O-N 2.55Å; L230-A233 PolarHBondContact O-N 3.07Å; L230-V234 WeakPolarHBondContact O-CB 3.27Å; L230-V234 VanDerWaalsContact O-CG2 3.27Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 2.81Å
231K81.2Confident72.6Confident116 Ų116102 Ų10250%0.50455%0.546SS..Hα-helixtrans-65.8-32174.2-73.9175.7-171790113.6S227 L229 N235S227-K231 VanDerWaalsContact CB-NZ 3.26Å; S227-K231 VanDerWaalsContact O-CD 3.28Å; S227-K231 WeakPolarHBondContact O-CD 3.49Å; S227-K231 WeakPolarHBondContact O-CG 3.33Å; S227-K231 PolarHBondContact O-NZ 2.86Å; S227-K231 PolarHBondContact OG-NZ 3.08Å; L229-K231 VanDerWaalsContact C-N 3.26Å; L229-K231 PolarHBondContact O-N 3Å; K231-N235 WeakPolarHBondContact O-CB 3.34Å; K231-N235 VanDerWaalsContact O-CG 3.26Å; K231-N235 PolarHBondContact O-N 2.85Å
232R87.1Confident73.6Confident172 Ų17299.4 Ų99.465%0.64954%0.536SS*.Hα-helixtrans-68.8-53.8172.2-77.9179.6174.4171.7-2.4110.6L228 L229 L230 V234 N235 E236L228-R232 PolarHBondContact O-N 3.31Å; L228-R232 VanDerWaalsContact O-N 3.08Å; L229-R232 WeakPolarHBondContact O-CB 3.41Å; L229-R232 PolarHBondContact O-N 3.35Å; L230-R232 PolarHBondContact O-N 2.55Å; R232-V234 VanDerWaalsContact C-N 3.33Å; R232-V234 PolarHBondContact O-N 2.76Å; R232-N235 PolarHBondContact O-N 2.99Å; R232-E236 WeakPolarHBondContact O-CB 3.4Å; R232-E236 PolarHBondContact O-N 3.03Å
233A81.1Confident74.2Confident47 Ų4794.3 Ų94.339%0.38853%0.53SS..Hα-helixtrans-54.9-46178.500000112.6L229 L230 N235 E236 A237L229-A233 PolarHBondContact O-N 2.82Å; L230-A233 PolarHBondContact O-N 3.07Å; A233-N235 VanDerWaalsContact C-N 3.3Å; A233-N235 PolarHBondContact O-N 3.26Å; A233-E236 PolarHBondContact O-N 3.23Å; A233-A237 WeakPolarHBondContact O-CB 2.93Å; A233-A237 PolarHBondContact O-N 3Å
234V88.2Confident74.5Confident42 Ų4293.5 Ų93.526%0.25552%0.522SS..Hα-helixtrans-65.3-29.8177.4167.90000113Y33 L230 R232 K238Y33-V234 HydrophobicContact CE2-CG2 4.24Å; L230-V234 WeakPolarHBondContact O-CB 3.27Å; L230-V234 VanDerWaalsContact O-CG2 3.27Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 2.81Å; R232-V234 VanDerWaalsContact C-N 3.33Å; R232-V234 PolarHBondContact O-N 2.76Å; V234-K238 HydrophobicContact CG1-CD 4.49Å; V234-K238 VanDerWaalsContact O-CD 3.28Å; V234-K238 WeakPolarHBondContact O-CD 3.12Å; V234-K238 WeakPolarHBondContact O-CG 3.42Å; V234-K238 PolarHBondContact O-N 3.23Å
235N86Confident74.6Confident98 Ų9892.4 Ų92.452%0.52452%0.517SS..Hα-helixtrans-80.8-36.4175.4-78.3-3.8000112.2K231 R232 A233 K238 A239K231-N235 WeakPolarHBondContact O-CB 3.34Å; K231-N235 VanDerWaalsContact O-CG 3.26Å; K231-N235 PolarHBondContact O-N 2.85Å; R232-N235 PolarHBondContact O-N 2.99Å; A233-N235 VanDerWaalsContact C-N 3.3Å; A233-N235 PolarHBondContact O-N 3.26Å; N235-K238 PolarHBondContact O-N 3.29Å; N235-A239 PolarHBondContact O-N 3.45Å
236E85.3Confident74.5Confident134 Ų13492.6 Ų92.663%0.62652%0.521SS*.Hα-helixtrans-67.2-42.6176.5-171.6166.7-171.400111.8R232 A233 K238 A239 S240R232-E236 WeakPolarHBondContact O-CB 3.4Å; R232-E236 PolarHBondContact O-N 3.03Å; A233-E236 PolarHBondContact O-N 3.23Å; E236-K238 VanDerWaalsContact C-N 3.31Å; E236-K238 PolarHBondContact O-N 3.32Å; E236-A239 PolarHBondContact O-N 3.47Å; E236-S240 WeakPolarHBondContact O-CB 3.34Å; E236-S240 PolarHBondContact O-N 2.81Å; E236-S240 PolarHBondContact O-OG 3.49Å
237A80.1Confident73.4Confident36 Ų3694 Ų9430%0.29853%0.531SS..Hα-helixtrans-58.5-40.2170.400000112.3A233 S240 T241A233-A237 WeakPolarHBondContact O-CB 2.93Å; A233-A237 PolarHBondContact O-N 3Å; A237-S240 PolarHBondContact O-N 2.98Å; A237-T241 PolarHBondContact O-N 3.35Å
238K84.2Confident71.9Confident118 Ų11896.8 Ų96.851%0.51354%0.539SS..Hα-helixtrans-67.8-44.3175.5-73.5166.9-169.5167.60112.4V234 N235 E236 S240 T241 M242V234-K238 HydrophobicContact CG1-CD 4.49Å; V234-K238 VanDerWaalsContact O-CD 3.28Å; V234-K238 WeakPolarHBondContact O-CD 3.12Å; V234-K238 WeakPolarHBondContact O-CG 3.42Å; V234-K238 PolarHBondContact O-N 3.23Å; N235-K238 PolarHBondContact O-N 3.29Å; E236-K238 VanDerWaalsContact C-N 3.31Å; E236-K238 PolarHBondContact O-N 3.32Å; K238-S240 VanDerWaalsContact C-N 3.28Å; K238-S240 PolarHBondContact O-N 3.06Å; K238-T241 PolarHBondContact O-N 3.5Å; K238-T241 PolarHBondContact O-OG1 2.93Å; K238-M242 PolarHBondContact O-N 3.17Å
239A80.3Confident70Confident63 Ų63100.5 Ų100.552%0.52155%0.553SS.*Hα-helixtrans-58.2-43.5175.500000111.1N235 E236 T241 M242 A243N235-A239 PolarHBondContact O-N 3.45Å; E236-A239 PolarHBondContact O-N 3.47Å; A239-T241 VanDerWaalsContact C-N 3.32Å; A239-T241 PolarHBondContact O-N 3.13Å; A239-M242 PolarHBondContact O-N 3.04Å; A239-A243 PolarHBondContact O-N 3.06Å; A239-A243 VanDerWaalsContact O-N 3.12Å
240S75Confident67.8Low72 Ų72101.7 Ų101.750%0.50357%0.565SS.*Hα-helixtrans-59.4-38.1176.8-55.20000112.9E236 A237 K238E236-S240 WeakPolarHBondContact O-CB 3.34Å; E236-S240 PolarHBondContact O-N 2.81Å; E236-S240 PolarHBondContact O-OG 3.49Å; A237-S240 PolarHBondContact O-N 2.98Å; K238-S240 VanDerWaalsContact C-N 3.28Å; K238-S240 PolarHBondContact O-N 3.06Å
241T65.1Low65.9Low54 Ų54105 Ų10533%0.33159%0.59SS.*Hα-helixtrans-69.4-38.5175.751.80000113.6A237 K238 A239 A243 T244 E245A237-T241 PolarHBondContact O-N 3.35Å; K238-T241 PolarHBondContact O-N 3.5Å; K238-T241 PolarHBondContact O-OG1 2.93Å; A239-T241 VanDerWaalsContact C-N 3.32Å; A239-T241 PolarHBondContact O-N 3.13Å; T241-A243 VanDerWaalsContact C-N 3.34Å; T241-A243 PolarHBondContact O-N 3Å; T241-T244 PolarHBondContact O-N 3.21Å; T241-T244 PolarHBondContact O-OG1 3.14Å; T241-T244 VanDerWaalsContact O-OG1 3.06Å; T241-E245 PolarHBondContact O-N 2.95Å
242M62.7Low64Low135 Ų135106.4 Ų106.467%0.66561%0.608SS**Hα-helixtrans-75.7-23.6-179.3-68.1-168.5169.100113.2K238 A239 S246K238-M242 PolarHBondContact O-N 3.17Å; A239-M242 PolarHBondContact O-N 3.04Å; M242-S246 PolarHBondContact O-OG 3.09Å
243A58.5Low61.7Low68 Ų68108 Ų10856%0.56262%0.62SS**Hα-helixtrans-65.2-41.7172.500000112.5A239 T241 S246A239-A243 PolarHBondContact O-N 3.06Å; A239-A243 VanDerWaalsContact O-N 3.12Å; T241-A243 VanDerWaalsContact C-N 3.34Å; T241-A243 PolarHBondContact O-N 3Å; A243-S246 PolarHBondContact O-N 2.66Å
244T56.6Low59.9Low105 Ų105117.6 Ų117.664%0.64465%0.646SS**Hα-helixtrans-76.4-27.5-177.550.60000113.7T241 S246T241-T244 PolarHBondContact O-N 3.21Å; T241-T244 PolarHBondContact O-OG1 3.14Å; T241-T244 VanDerWaalsContact O-OG1 3.06Å; T244-S246 PolarHBondContact O-N 2.72Å
245E54.4Low58Low148 Ų148124.6 Ų124.669%0.69267%0.673SS**Hα-helixtrans-71.5-17.4173.9-68.2-177.5-160.200113.4T241T241-E245 PolarHBondContact O-N 2.95Å
246S51.7Low55.9Low101 Ų101126 Ų12671%0.70669%0.687SS**THydrogen-bonded Turntrans-90-1.1-171-61.10000115.2M242 A243 T244M242-S246 PolarHBondContact O-OG 3.09Å; A243-S246 PolarHBondContact O-N 2.66Å; T244-S246 PolarHBondContact O-N 2.72Å
247S46.1Very low54Low107 Ų107127.2 Ų127.275%0.74870%0.697SS**THydrogen-bonded Turntrans-108.78-174-153.80000114.5
248L42.3Very low52.2Low140 Ų140130.1 Ų130.173%0.73372%0.721SS**  trans-129.9167.9177.3-65.7171.9000110.2
249H40.9Very low50.5Low184 Ų184135.8 Ų135.885%0.85274%0.739SS**  trans82.758.4-176.8-60.3-98000118.3
250T37.5Very low48.8Very low137 Ų137139 Ų13984%0.8475%0.754SS**  trans-94.712214549.60000109.8
251P38.7Very low47.4Very low128 Ų128143.7 Ų143.783%0.83177%0.772SS**  trans-97.5107.1-168.434.4-33.8000114.6
252T41.6Very low46.3Very low145 Ų145145.5 Ų145.589%0.8979%0.792SS**  trans-96.7132.8166.5510000112.2
253K39.4Very low45.4Very low205 Ų205145.4 Ų145.489%0.89180%0.804SS**  trans-119.9103.8-160-174.2-177.6-174.6179.70112.3
254R42.4Very low44.8Very low249 Ų249146.9 Ų146.994%0.9481%0.81SS**  trans-130.1148.4169.2-75.8-171.6170-175.9-2.9111.6
255K49.9Very low44Very low189 Ų189148.9 Ų148.982%0.82282%0.817SS**  trans-97.1144.1-174.4-58.2172.6-179173.40111.1
256P40.3Very low43.5Very low127 Ų127148.9 Ų148.983%0.82583%0.827SS**  trans-90144.4158.134.6-30.6000111.4
257I47.4Very low43Very low160 Ų160149.2 Ų149.282%0.82183%0.829SS**  trans-142.7119169.2-60.2177.3000108.7
258A41.8Very low42.8Very low98 Ų98149.8 Ų149.881%0.8183%0.832SS**  trans-170.3150.8150.300000110
259R46.9Very low42.9Very low236 Ų236148.1 Ų148.189%0.89183%0.833SS**  trans-130139.4164-65.2173.271.9-1713.3106.9
260P44.6Very low43.1Very low130 Ų130144 Ų14484%0.84482%0.824SS**  trans-77.7151.6-179.932-34.8000111.9
261I47.6Very low43.5Very low172 Ų172146.3 Ų146.388%0.88283%0.826SS**  trans-126.7140.5161.9-65.1178.3000106
262A40.8Very low44.3Very low91 Ų91145.3 Ų145.375%0.75282%0.819SS**  trans-103.6146.6-176.700000111.9
263C44.2Very low44.5Very low133 Ų133146.2 Ų146.290%0.89982%0.819SS**  trans-146.4163.6156.7-96.30000108.5
264S45.3Very low44.7Very low99 Ų99140.8 Ų140.869%0.69281%0.807SS**  trans-110.2167.5-153.9-33.90000114.8
265D39.8Very low45.2Very low148 Ų148135 Ų13579%0.79180%0.799SS**  trans50.7120.4145.2-46-34.2000120.5
266V44.9Very low44.9Very low148 Ų148135.2 Ų135.290%0.89780%0.795SS**  -163.4169106.3-88.40000110.4
267S41.4Very low45.4Very low108 Ų108138.6 Ų138.676%0.75580%0.797SS**  trans-97.1155.4-160.4-46.30000116.2
268S41.1Very low45.1Very low118 Ų118138 Ų13883%0.82579%0.788SS**  trans58.6124143.2-56.60000121.2
269S44.1Very low45.7Very low106 Ų106141.4 Ų141.474%0.74179%0.792SS**  159150.899.2-172.20000115
270S45.9Very low45.7Very low96 Ų96135.3 Ų135.367%0.67178%0.781SS**  trans6195.5147.247.40000122.6
271Q46.4Very low46.2Very low186 Ų186136.9 Ų136.987%0.86978%0.781SS**  trans71.9150.6130.2-60.3-62.7-12.300121.2
272P55.4Low46Very low108 Ų108134.3 Ų134.370%0.70178%0.778SS**  trans-106.9177.8-174.243-36.2000113.7
273D44.8Very low46.1Very low164 Ų164133.7 Ų133.788%0.87778%0.781SS**  trans-142.5169.5159.5-139.9-33000113.2
274S43.2Very low46Very low91 Ų91131.6 Ų131.664%0.63677%0.773SS**  trans-64.1141-160.9-174.30000117.2
275T53.2Low46.1Very low128 Ų128135.1 Ų135.179%0.78578%0.779SS**  -164.4139.5116.713.70000111.6
276R44.2Very low46.7Very low193 Ų193132.3 Ų132.373%0.72877%0.769SS**  trans-146.2120.5-175.7-172.7-168.6-166.8-152.52.9109.8F278R276-F278 HydrophobicContact CG-CD2 3.86Å; R276-F278 HydrophobicContact CG-CE2 3.92Å; R276-F278 VanDerWaalsContact NE-CE2 3.25Å
277F49.9Very low46.6Very low197 Ų197134.8 Ų134.886%0.86477%0.767SS**  trans-114.2128.5171-73.5-81.3000110.3
278F42.5Very low46.5Very low147 Ų147134.3 Ų134.365%0.64576%0.764SS**  trans-126.9148.3170.9-89.7-116.1000107.4R276R276-F278 HydrophobicContact CG-CD2 3.86Å; R276-F278 HydrophobicContact CG-CE2 3.92Å; R276-F278 VanDerWaalsContact NE-CE2 3.25Å
279I53.4Low46.5Very low171 Ų171134.3 Ų134.388%0.87776%0.759SS**  trans-116.8135.7168.9-62.9177.1000106.8
280T47.1Very low46.6Very low108 Ų108137.6 Ų137.666%0.66376%0.763SS**  trans-137.9126.3-169.751.80000112
281L54.2Low46.1Very low162 Ų162141.5 Ų141.585%0.84877%0.772SS**  trans-141122.8160.1-59.7171.1000104.1
282S44.8Very low46.1Very low118 Ų118140.9 Ų140.983%0.82577%0.773SS**  63.4107.855.1-54.30000111.4
283G41.4Very low45.5Very low78 Ų78140.6 Ų140.680%0.80477%0.774SS**  cis171.9-173.61.100000110.9
284A43Very low46Very low89 Ų89138.1 Ų138.174%0.73677%0.766SS**  cis-176.9144.1-14.600000111.1
285E47.3Very low46.3Very low174 Ų174138.7 Ų138.781%0.81377%0.768SS**  trans66.5161.2150.8-64.7-68.195.500121
286P52.4Low45.7Very low89 Ų89141.5 Ų141.558%0.57877%0.769SS**  -143.6-166.8-5241.3-23.3000114.5
287K44Very low45.5Very low200 Ų200140.2 Ų140.287%0.8778%0.776SS**  trans107.6143.9168.7-63.5159.4-174.8170.10114.4
288S38.7Very low45Very low97 Ų97141.9 Ų141.968%0.67878%0.777SS**  cis-157.2132.4-2.9152.20000113.1
289T41.2Very low44.7Very low118 Ų118142.1 Ų142.172%0.72479%0.785SS**  trans37121135.3-11.80000119.2
290Q44.6Very low44.2Very low176 Ų176139.8 Ų139.882%0.82278%0.784SS**  -166.816772.8-86.8-175.74900113.7
291M37.2Very low43.7Very low178 Ų178140.5 Ų140.588%0.87779%0.793SS**  trans-127.9155.2175.1-61.9-144.6-55.800112.2
292I46.3Very low43.2Very low172 Ų172144.7 Ų144.788%0.88280%0.798SS**  trans-152.7158156.7-99.5142.1000109.4
293S42.5Very low43Very low103 Ų103146.2 Ų146.272%0.7280%0.802SS**  trans-106.1156.5-154.654.80000117.4
294P55.6Low42.8Very low111 Ų111146.1 Ų146.172%0.72180%0.801SS**  trans-73.9-175.1160.839-39.5000110.5
295P47.8Very low42.5Very low104 Ų104153.2 Ų153.268%0.67581%0.808SS**  cis-158.4-164.928.845.4-21.6000120
296K41.3Very low42.1Very low186 Ų186153 Ų15381%0.80981%0.812SS**  trans97141.2141.9-87.7173-172.5172.90122.1
297L39.9Very low41.4Very low166 Ų166159.6 Ų159.687%0.86983%0.825SS**  trans74.1149.3165.7-62.4163.8000115.8
298R40.7Very low40.9Very low232 Ų232155.3 Ų155.388%0.87582%0.821SS**  cis-147.6144.725.1-155.9-178.5-159.6-170.46.7113.2
299N35.9Very low41Very low152 Ų152157.2 Ų157.281%0.81383%0.828SS**  trans-82153170.7-74.3-12.1000112.5
300S41.6Very low40.7Very low123 Ų123154.6 Ų154.686%0.8683%0.825SS**  trans-166.9114.1140.5-83.70000113
301S37.7Very low40.3Very low122 Ų122156.7 Ų156.785%0.85383%0.827SS**  trans-86.3143.3162.5-47.90000109.8
302R43.9Very low40.4Very low250 Ų250154.9 Ų154.994%0.94381%0.814SS**  trans-147.8126.6158.8-116.3176-171.1-1711.8112.6
303V40Very low40.3Very low151 Ų151153.5 Ų153.592%0.91581%0.809SS**  trans-84134.7170.5177.30000108.4
304G38.3Very low40.4Very low76 Ų76153.5 Ų153.578%0.78480%0.797SS**  trans-15180.2-175.900000113.4
305R35.6Very low39.8Very low237 Ų237154.5 Ų154.589%0.89480%0.801SS**  trans-79.1123.6169.2169.7-162.1-84.1-173.1-5.1109.5
306L39.5Very low39.5Very low171 Ų171154.5 Ų154.590%0.89580%0.796SS**  trans-153.4175.1154.1-111.2166.6000111.1
307R37.5Very low39.5Very low226 Ų226151.5 Ų151.585%0.85379%0.792SS**  trans-131.9142.6-165.9-76.6-178.3167.9-167.4-2.3113.3
308S33.4Very low39.9Very low111 Ų111150.2 Ų150.278%0.77679%0.786SS**  trans70.4156141.3-161.20000119.5
309V41.1Very low39.9Very low137 Ų137146.1 Ų146.183%0.8378%0.781SS**  trans70.8129.3175.2-162.50000114.5
310G34.8Very low40Very low63 Ų63143.3 Ų143.365%0.64977%0.766SS**  cis137.186.3-14.700000115.3
311Y36.7Very low40.2Very low220 Ų220149.4 Ų149.486%0.86377%0.77SS**  trans-169.5133.2162.3-123.3-101.3000104.5
312F39Very low40.4Very low139 Ų139150.8 Ų150.861%0.6176%0.761SS**  cis91110.824.5-167.4-82000115.2Q314F312-Q314 HydrophobicContact CE1-CB 4.28Å; F312-Q314 VanDerWaalsContact CZ-OE1 3.31Å
313D43.8Very low40.1Very low144 Ų144146.2 Ų146.277%0.7775%0.754SS**  trans-176.7163.9145.6-124.420.8000108.5
314Q44.9Very low40Very low103 Ų103150.5 Ų150.548%0.48175%0.754SS.*  -164.1139.6-56.2175.580.278.400107.1F312 D316F312-Q314 HydrophobicContact CE1-CB 4.28Å; F312-Q314 VanDerWaalsContact CZ-OE1 3.31Å; Q314-D316 WeakPolarHBondContact CG-OD2 3.28Å; Q314-D316 PolarHBondContact NE2-OD2 2.68Å
315T41.9Very low40.1Very low131 Ų131155.7 Ų155.780%0.80476%0.763SS**  trans150.3102.5161.334.40000107.4
316D41.1Very low40.4Very low105 Ų105147.3 Ų147.356%0.56175%0.751SS**  64.8138.860.5-56.4-61.2000113.1Q314Q314-D316 WeakPolarHBondContact CG-OD2 3.28Å; Q314-D316 PolarHBondContact NE2-OD2 2.68Å
317V42.6Very low40.4Very low122 Ų122145 Ų14574%0.73975%0.746SS**  cis-140.8121.731.7168.60000112.4
318L47.2Very low40.3Very low140 Ų140145.8 Ų145.873%0.73375%0.749SS**  trans52.1158.2142.8-55.1178.2000121.3
319N41.5Very low40.8Very low146 Ų146147.7 Ų147.778%0.78175%0.75SS**  cis-145.6162.76.9-140-27.6000114.3
320D38.1Very low41Very low93 Ų93147.6 Ų147.650%0.49775%0.749SS.*  trans-98.5143.8-172-179.70.7000112.9K322D320-K322 WeakPolarHBondContact OD1-CG 3.16Å; D320-K322 PolarHBondContact OD1-N 2.68Å; D320-K322 VanDerWaalsContact OD2-CE 3.27Å; D320-K322 WeakPolarHBondContact OD2-CE 3.27Å; D320-K322 IonicContact OD2-NZ 2.72Å
321R45Very low41Very low250 Ų250150.1 Ų150.194%0.94375%0.748SS**  trans-150.961.1153-118.2167.6-166.9-174.23116.2
322K41.9Very low40.8Very low152 Ų152146.1 Ų146.166%0.66175%0.746SS**  trans19.2128143.4-86.3167.4-176.8157.90121.3D320D320-K322 WeakPolarHBondContact OD1-CG 3.16Å; D320-K322 PolarHBondContact OD1-N 2.68Å; D320-K322 VanDerWaalsContact OD2-CE 3.27Å; D320-K322 WeakPolarHBondContact OD2-CE 3.27Å; D320-K322 IonicContact OD2-NZ 2.72Å
323L38.8Very low40.9Very low153 Ų153147.6 Ų147.680%0.80175%0.752SS**  trans67.2104.7132.5-59.6168.3000120.1
324R36.6Very low40.3Very low242 Ų242145.9 Ų145.991%0.91375%0.752SS**  175.892.6115.1-99172.5165.7174.5-3.3113.3
325L42.3Very low40.1Very low184 Ų184149.3 Ų149.396%0.96377%0.772SS**  trans-143.5113.9150.3-78.4-177000109.2
326G40.4Very low40Very low62 Ų62151.5 Ų151.564%0.63977%0.773SS**  trans-88.5178.7177.300000113.1R328G326-R328 PolarHBondContact O-N 2.98Å
327P39.3Very low39.7Very low122 Ų122150 Ų15079%0.79278%0.782SS**  trans-62.3122.3177.727.1-34.3000110.2L329P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.48Å
328R36.8Very low39.9Very low242 Ų242153.7 Ų153.791%0.91379%0.791SS**  trans-78.479-176.8-154.3173.5-165.2167.14.3110.6G326 V330G326-R328 PolarHBondContact O-N 2.98Å; R328-V330 PolarHBondContact O-N 3.07Å; R328-V330 VanDerWaalsContact O-N 3.09Å
329L43.5Very low39.8Very low152 Ų152150.2 Ų150.280%0.79679%0.789SS**  trans-50.4114.6168.6-70.3170.2000109.3P327 N331P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.48Å; L329-N331 VanDerWaalsContact C-N 3.35Å; L329-N331 PolarHBondContact O-N 3Å
330V44.4Very low40Very low135 Ų135155.2 Ų155.282%0.81880%0.797SS**  trans-70.693.5174.2-80.20000109.1R328 T332R328-V330 PolarHBondContact O-N 3.07Å; R328-V330 VanDerWaalsContact O-N 3.09Å; V330-T332 PolarHBondContact O-N 3.4Å
331N35.2Very low40.7Very low116 Ų116157.7 Ų157.762%0.6281%0.809SS**  trans-63.598.6-172.8176.635.6000112L329 K333L329-N331 VanDerWaalsContact C-N 3.35Å; L329-N331 PolarHBondContact O-N 3Å; N331-K333 PolarHBondContact O-N 2.93Å; N331-K333 WeakPolarHBondContact OD1-CE 3.46Å; N331-K333 WeakPolarHBondContact OD1-CG 3.31Å
332T32.9Very low41.1Very low135 Ų135149.7 Ų149.783%0.82879%0.791SS**  trans-69.795.9173.652.20000110.6V330V330-T332 PolarHBondContact O-N 3.4Å
333K40.5Very low41.6Very low170 Ų170146.7 Ų146.774%0.73980%0.795SS**  trans-125.4128.9168.2-72-171.9-178.9-174.10110.9N331N331-K333 PolarHBondContact O-N 2.93Å; N331-K333 WeakPolarHBondContact OD1-CE 3.46Å; N331-K333 WeakPolarHBondContact OD1-CG 3.31Å
334S32.1Very low42.4Very low109 Ų109148.3 Ų148.376%0.76280%0.795SS**PPolyproline II helixtrans-68.2129.4-175-52.50000112.1
335L40.9Very low43.4Very low175 Ų175144.6 Ų144.692%0.91679%0.788SS**PPolyproline II helixtrans-101.7127148.8-101.2162000107.8
336H38.9Very low44.1Very low177 Ų177146.8 Ų146.882%0.81978%0.783SS**PPolyproline II helixtrans-84.9151176.3-93.744.2000110.8
337G35.6Very low44.6Very low72 Ų72151.2 Ų151.274%0.74279%0.792SS**  trans82.8115.7-178.900000111.4
338E45.6Very low45Very low200 Ų200148.3 Ų148.394%0.93578%0.783SS**  cis-138.7170.946.5-72.5-174.5129.900114.4
339G45.5Very low45.9Very low67 Ų67143 Ų14369%0.69178%0.781SS**  trans-74.8128.4-169.700000114.8I341G339-I341 VanDerWaalsContact C-N 3.34Å; G339-I341 PolarHBondContact O-N 3.43Å
340R45.4Very low46.1Very low252 Ų252141.7 Ų141.795%0.95178%0.778SS**  trans-70.386.4167-72-178.2175.8170.7-1.2110.7S342R340-S342 PolarHBondContact O-N 2.87Å; R340-S342 VanDerWaalsContact O-N 3.07Å
341I52.7Low46.2Very low145 Ų145143 Ų14374%0.74478%0.779SS**  trans-64.7108.6176.1-49.6173000109G339G339-I341 VanDerWaalsContact C-N 3.34Å; G339-I341 PolarHBondContact O-N 3.43Å
342S53.5Low46.9Very low82 Ų82144.7 Ų144.757%0.57378%0.783SS**  trans-61.6140-179.3-178.70000111.8R340 K344 H345R340-S342 PolarHBondContact O-N 2.87Å; R340-S342 VanDerWaalsContact O-N 3.07Å; S342-K344 PolarHBondContact O-N 3.06Å; S342-H345 PolarHBondContact O-N 3.08Å; S342-H345 VanDerWaalsContact O-N 3.16Å
343A51.9Low47.7Very low88 Ų88143.9 Ų143.973%0.72778%0.783SS**G310 helixtrans-58.4-12.6-175.100000114.6H345A343-H345 VanDerWaalsContact C-N 3.26Å; A343-H345 PolarHBondContact O-N 3.29Å
344K57.4Low47.6Very low188 Ų188142.4 Ų142.482%0.81778%0.783SS**G310 helixtrans-71.3-12.3177.6-151.7168.4-175.6177.10114.4S342S342-K344 PolarHBondContact O-N 3.06Å
345H55.9Low48.2Very low163 Ų163140.7 Ų140.776%0.75578%0.782SS**G310 helixtrans-96.94-180-88.8-91.1000115.6S342 A343S342-H345 PolarHBondContact O-N 3.08Å; S342-H345 VanDerWaalsContact O-N 3.16Å; A343-H345 VanDerWaalsContact C-N 3.26Å; A343-H345 PolarHBondContact O-N 3.29Å
346R56.7Low48.1Very low231 Ų231143.8 Ų143.887%0.87278%0.782SS**SBendtrans-96.77.7-178.9-81-169.5172.9-169.4-1.1115.6
347L51.1Low48.3Very low155 Ų155142.2 Ų142.281%0.81279%0.785SS**SBendtrans-123.1130.1177.1-63.6175.1000110.2
348G47.9Very low48.6Very low60 Ų60144.3 Ų144.362%0.61978%0.783SS**PPolyproline II helixtrans-70.2165.9173.100000112.3V350G348-V350 PolarHBondContact O-N 3.11Å
349P56.4Low48Very low132 Ų132140.6 Ų140.686%0.85778%0.779SS**PPolyproline II helixtrans-63.9120.4-174.525.9-34.2000111.8
350V46.8Very low47.8Very low123 Ų123145.3 Ų145.375%0.74579%0.787SS**PPolyproline II helixtrans-80.6119.8164.2175.90000107.6G348 Q352G348-V350 PolarHBondContact O-N 3.11Å; V350-Q352 PolarHBondContact O-N 2.88Å
351I47.7Very low47.3Very low163 Ų163138.9 Ų138.984%0.83678%0.781SS**PPolyproline II helixtrans-71.9122.1174.4-60.4170.9000108.1
352Q49Very low46.7Very low151 Ų151143 Ų14371%0.70679%0.788SS**  trans-109.9124.4170.1-70.6-173.2-18.500109.4V350V350-Q352 PolarHBondContact O-N 2.88Å
353S49.7Very low46Very low118 Ų118143.9 Ų143.983%0.82579%0.793SS**  trans-91.897.3-178.851.40000110.9
354N40Very low45.4Very low140 Ų140148.7 Ų148.775%0.74980%0.801SS**  trans-106.991.6-174.6-65.76000111.9
355G43.3Very low45.1Very low72 Ų72148.7 Ų148.774%0.74280%0.804SS**  trans-11896.9162.500000108.9
356R40.2Very low44.4Very low240 Ų240148.2 Ų148.291%0.90681%0.807SS**  73.881.578.5-166.7-171.8-166.8-179.24.9112.8
357V41.7Very low43.7Very low144 Ų144147.2 Ų147.287%0.87381%0.809SS**  trans-121.6149.8155.5-1740000107.5
358V41.7Very low43.3Very low116 Ų116146.4 Ų146.470%0.70381%0.806SS**PPolyproline II helixtrans-93.5133.4-173.7175.60000110.5
359S33.8Very low43.1Very low122 Ų122153.4 Ų153.485%0.85382%0.815SS**PPolyproline II helixtrans-90.2119.4164.3-570000109.8
360L41.4Very low42.4Very low166 Ų166153.7 Ų153.787%0.86981%0.809SS**PPolyproline II helixtrans-94.7140.3157.7-69.7174.4000108.2
361S35Very low42Very low118 Ų118153.5 Ų153.583%0.82581%0.813SS**PPolyproline II helixtrans-92.7154.4174.449.50000110.8
362R38.9Very low41.7Very low232 Ų232148.7 Ų148.788%0.87580%0.803SS**  178.7152.8117.3-161.2168.8178.7127.7-1.6112.2
363S40.5Very low41.3Very low99 Ų99148.3 Ų148.369%0.69281%0.807SS**  trans67.5135.115828.90000119.2
364E39.1Very low41.1Very low189 Ų189150 Ų15088%0.88380%0.801SS**  trans-108.2129.8173.5-55.5146.4107.200107.8
365E51Low41.6Very low188 Ų188152.7 Ų152.788%0.87981%0.807SS**  trans-139.1137.5162.6-67.4-169.1178.200109.1
366N40.9Very low41.7Very low153 Ų153155.3 Ų155.382%0.81880%0.804SS**  trans-80.6149.5176.8-61.6-51.6000110.1
367F42.1Very low42.1Very low210 Ų210150.8 Ų150.892%0.92180%0.797SS**  -160.7151.7128.3-113.5-74.1000110.9
368D41.7Very low42.2Very low139 Ų139151.7 Ų151.774%0.74379%0.79SS**  trans-88176.3-175.6-69.3-87.1000114.1
369Y44.7Very low42.4Very low207 Ų207152 Ų15281%0.81279%0.791SS**  trans107131.2141.3-109.1-87000121.2
370N40.7Very low43.2Very low138 Ų138154.2 Ų154.274%0.73879%0.788SS**  trans62.5126.4160.2-90-2.7000124
371S38.8Very low43.2Very low119 Ų119149.4 Ų149.483%0.83278%0.779SS**  trans-43.9155.4150-42.20000115.5
372G42.5Very low43.9Very low61 Ų61151.8 Ų151.863%0.62978%0.782SS**  trans174.9119157.200000111.7
373N39.7Very low44.1Very low144 Ų144149.4 Ų149.477%0.7778%0.775SS**  trans37.8123135.7-66.956.1000118.2
374E45.2Very low44.6Very low153 Ų153151.2 Ų151.272%0.71578%0.781SS**  112.611364.2177.2-173.4144.400108.1
375F50.1Low44.9Very low197 Ų197148.7 Ų148.786%0.86477%0.77SS**  trans-158139.8145.4-157.2-102.7000109.4
376D46.3Very low44.9Very low126 Ų126147.5 Ų147.567%0.67477%0.768SS**  trans-94.6179.6-174.9-87.2-83.5000112.9
377D49.4Very low45.2Very low145 Ų145143.7 Ų143.778%0.77576%0.758SS**  trans98.7157.2131-136.1-3.5000120.9
378F42.3Very low46Very low164 Ų164139.8 Ų139.872%0.71976%0.755SS**  trans83.2129.6171.1-125.3-96.4000120.4
379V45.8Very low46.4Very low121 Ų121139.4 Ų139.473%0.73375%0.753SS**  trans-134.6122.4-169.8171.30000108.1
380E50.5Low46.5Very low169 Ų169137 Ų13779%0.7976%0.755SS**  trans-155.2138.7154.1-131.1102.3-126.600106
381G42.3Very low46.9Very low65 Ų65133.6 Ų133.667%0.6775%0.746SS**  cis111.280.99.100000109.7
382D49.9Very low47.1Very low168 Ų168138.2 Ų138.290%0.89875%0.751SS**  trans-151.4139.4166.2-137.1-18.1000110.5
383Y41.7Very low47.3Very low183 Ų183138.5 Ų138.572%0.71875%0.754SS**  trans-124.9124.8-168.3172.8-93.2000108.5E385Y383-E385 HydrophobicContact CD1-CB 4.28Å; Y383-E385 HydrophobicContact CE1-CB 3.77Å; Y383-E385 HydrophobicContact CE1-CG 4.1Å
384V51.8Low47.6Very low136 Ų136138.6 Ų138.682%0.82475%0.754SS**  trans-111.299.5176.9-174.60000109.3
385E45.5Very low47.6Very low137 Ų137138 Ų13864%0.6476%0.756SS**  trans-66142.5170.8-160.1168-176.900110.6Y383Y383-E385 HydrophobicContact CD1-CB 4.28Å; Y383-E385 HydrophobicContact CE1-CB 3.77Å; Y383-E385 HydrophobicContact CE1-CG 4.1Å
386L51.3Low47.1Very low163 Ų163131.8 Ų131.885%0.85375%0.747SS**  trans-127.998.2165.7-75.7178.3000107.6
387A47.4Very low47.3Very low73 Ų73133.8 Ų133.860%0.60376%0.756SS**  trans-62.5148.9175.500000111.4
388C57.9Low47.3Very low127 Ų127133.1 Ų133.186%0.85875%0.753SS**  trans-129.891.9165.455.50000107.8
389D51.1Low47.5Very low131 Ų131132.4 Ų132.470%0.70176%0.756SS**  trans-78.3154.3-177.5-53.9-68.9000112.3
390D46.6Very low47.8Very low158 Ų158134.8 Ų134.885%0.84576%0.759SS**  trans62.2138.3160.3-61.3-28.6000119.4
391A49.3Very low47.4Very low66 Ų66130.2 Ų130.255%0.54575%0.746SS.*  cis-163.7-170.4-11.600000109.1
392F43.4Very low47.4Very low216 Ų216135.2 Ų135.295%0.94776%0.757SS**  trans71.1126.4177.6-40.2-76.1000115.7
393G46.5Very low46.8Very low66 Ų66135.1 Ų135.168%0.6875%0.751SS**  cis146.8121.9-11.500000113.2
394N44.3Very low46.9Very low146 Ų146135 Ų13578%0.78176%0.762SS**  trans61.1152.5170.7-73.850.8000116.5
395D45.2Very low46.3Very low141 Ų141137.7 Ų137.775%0.75476%0.762SS**  cis-140.9159.3-19.7-85.8-41.1000104.9
396G41.2Very low45.9Very low66 Ų66134.7 Ų134.768%0.6877%0.768SS**  cis114.696.928.700000108.8
397I49.1Very low45.3Very low169 Ų169134.6 Ų134.687%0.86777%0.768SS**  trans-170.5160.8163.8-103155.2000109
398D49.8Very low44.6Very low130 Ų130141.1 Ų141.170%0.69578%0.779SS**  trans-136.1155.9-138.644.8-65.4000116.1
399D46Very low43.9Very low150 Ų150140.6 Ų140.680%0.80277%0.771SS**  trans51.9169.1163.9-90.2-75.4000119.9
400E52.3Low43.4Very low170 Ų170139 Ų13979%0.79477%0.768SS**  cis-136163.90.2-152.3-174.16500111.5
401S42.3Very low43Very low73 Ų73138.2 Ų138.251%0.5176%0.763SS.*  trans4135157-145.50000118.9
402L42.2Very low42.8Very low171 Ų171139.7 Ų139.790%0.89577%0.77SS**  -152.5146.275.9-89.5167.4000114.4
403Q37.9Very low42.9Very low165 Ų165139 Ų13977%0.77177%0.766SS**  trans-100.5142.8-176.5-55.5166.614.500111.8
404L44Very low42.9Very low182 Ų182142.2 Ų142.295%0.95377%0.766SS**  trans-152.8146.6152.7-109.7162.2000110.6
405K38.1Very low42.9Very low192 Ų192140.9 Ų140.984%0.83576%0.764SS**  trans-96.6143-161.7-68.8166.2179.1167.20113
406G36.9Very low42.8Very low73 Ų73142.6 Ų142.675%0.75377%0.772SS**  trans-158.8104.6169.200000111
407N38.8Very low43.3Very low161 Ų161143.6 Ų143.686%0.86177%0.774SS**  trans-76.5130.9-174.9-64.4-5000111.3
408Y34.1Very low43.4Very low211 Ų211141.2 Ų141.283%0.82776%0.763SS**  trans-115.1119.2171.2-171.5-94.2000110.3P410Y408-P410 HydrophobicContact CE1-CB 4.26Å
409V42.3Very low43.4Very low115 Ų115143.5 Ų143.570%0.69777%0.766SS**  trans-116116.4177179.20000108.8L411V409-L411 PolarHBondContact O-N 2.8Å; V409-L411 VanDerWaalsContact O-N 3.1Å
410P40.3Very low43.4Very low98 Ų98144.6 Ų144.664%0.63677%0.771SS**  trans-80.592.9-176.631.5-33.9000111.2Y408 S412Y408-P410 HydrophobicContact CE1-CB 4.26Å; P410-S412 PolarHBondContact O-N 2.99Å
411L39.3Very low43.4Very low142 Ų142140.8 Ų140.874%0.74376%0.763SS**  trans-78107180-150.875000111.4V409 I414V409-L411 PolarHBondContact O-N 2.8Å; V409-L411 VanDerWaalsContact O-N 3.1Å; L411-I414 HydrophobicContact CD2-CD1 3.78Å; L411-I414 HydrophobicContact CD2-CG1 4.41Å
412S45.9Very low43.5Very low97 Ų97146 Ų14668%0.67878%0.78SS**  trans-97.9152.7172.165.40000111.1P410P410-S412 PolarHBondContact O-N 2.99Å
413K45.2Very low44Very low202 Ų202143.9 Ų143.988%0.87878%0.776SS**  trans59.281.1176.1-53.9175.5-175.7173.40115.7
414I45.1Very low44.2Very low133 Ų133141.8 Ų141.868%0.68278%0.775SS**  trans-108.2134.1152.1-72.9179.3000108.7L411L411-I414 HydrophobicContact CD2-CD1 3.78Å; L411-I414 HydrophobicContact CD2-CG1 4.41Å
415T44.4Very low44.6Very low118 Ų118139.2 Ų139.272%0.72477%0.769SS**  trans-84.9151.8-177.741.90000112.3A417T415-A417 PolarHBondContact O-N 3.49Å
416L44.2Very low44.8Very low176 Ų176138.3 Ų138.392%0.92177%0.768SS**THydrogen-bonded Turntrans-74.416.1-166.7-118.3172.8000115.8
417A50.6Low45.2Very low87 Ų87142.8 Ų142.872%0.71977%0.774SS**THydrogen-bonded Turntrans-90.8-25.9-17600000113.9T415 K419T415-A417 PolarHBondContact O-N 3.49Å; A417-K419 PolarHBondContact O-N 2.76Å
418D50.8Low45.8Very low119 Ų119140.3 Ų140.364%0.63676%0.764SS**SBendtrans-101.448.9-164.2-162.434.7000113.7
419K50.3Low46.7Very low179 Ų179136 Ų13678%0.77876%0.759SS**  trans-134.522.5179.5-72.1-64.2171.6-162.40114.7A417A417-K419 PolarHBondContact O-N 2.76Å
420L47.1Very low46.9Very low172 Ų172136.5 Ų136.590%0.90176%0.758SS**SBendtrans-116.625.7-178.2-111.981.5000114.2
421S50.7Low47.2Very low90 Ų90140.2 Ų140.263%0.62977%0.772SS**  trans-152.942.9-165.647.50000115.6
422Q45.7Very low47.8Very low183 Ų183138.6 Ų138.686%0.85576%0.764SS**  trans-133.5141.3162.4-73.9-167.2-21.600111.9
423P52.4Low47.6Very low127 Ų127141.3 Ų141.383%0.82577%0.766SS**PPolyproline II helixtrans-78.7153.4-17232.1-36.2000113.1
424T42.9Very low48Very low121 Ų121137.9 Ų137.974%0.74276%0.762SS**PPolyproline II helixtrans-77.7138.2174.642.30000112Q426T424-Q426 PolarHBondContact O-N 2.83Å
425P52.2Low48.2Very low127 Ų127138.6 Ų138.683%0.82577%0.767SS**PPolyproline II helixtrans-70.4124.7163.329.9-31.7000108.9
426Q42.4Very low48.9Very low174 Ų174142.3 Ų142.381%0.81378%0.776SS**PPolyproline II helixtrans-84133.7172.6-62.1-171.126.500109.8T424T424-Q426 PolarHBondContact O-N 2.83Å
427L44.9Very low49.4Very low167 Ų167141.9 Ų141.987%0.87477%0.77SS**  trans-113.2107.3170-114.3165.8000107.9
428V50.2Low49.8Very low108 Ų108146.1 Ų146.166%0.65578%0.775SS**  trans-87.7125.8176.6-178.90000108.3
429V52.8Low49.7Very low121 Ų121147.2 Ų147.273%0.73378%0.781SS**  trans-125.2117.3167.9-179.20000106.8
430N48.1Very low49.7Very low126 Ų126144.2 Ų144.267%0.67478%0.777SS**  trans-73.5144.7176.1-67.8-10.2000109.8
431L45Very low49.5Very low175 Ų175141.7 Ų141.792%0.91677%0.769SS**  trans-110121.7170.3-75.3163000108
432N51.9Low49Very low109 Ų109142 Ų14258%0.58377%0.771SS**  trans-133.1141.7-177.8-85.281.7000108.5
433E43.6Very low48.7Very low153 Ų153142.3 Ų142.372%0.71577%0.77SS**  trans48.591.8164.2-66.1104.4-120.700117.3
434T52.6Low48Very low131 Ų131141.5 Ų141.580%0.80477%0.767SS**  87.5126.875.9510000115.1
435D48.4Very low47.8Very low147 Ų147141 Ų14179%0.78678%0.775SS**  trans-63.7144.7167.7-56.2-104.4000112.7
436E60.7Low47.2Very low197 Ų197138.8 Ų138.892%0.92178%0.775SS**  trans-135.9140.5147-70.4-165.3129.800107.8
437E54.4Low47.2Very low166 Ų166135 Ų13578%0.77677%0.774SS**  trans-114.2-141.7-172.950.5-145.2116.800112.1
438E59Low47.2Very low177 Ų177132.9 Ų132.983%0.82776%0.764SS**  trans67.3103.3-171.4-40.3-77107.500113.8
439D48.6Very low46.9Very low142 Ų142137 Ų13776%0.75977%0.767SS**  85.3169.560.6-158.420.6000115.1
440V49.7Very low46.7Very low115 Ų115138.7 Ų138.770%0.69777%0.767SS**  trans73.170.2171.8-55.10000121.2
441T43.2Very low46.5Very low119 Ų119141.1 Ų141.173%0.7377%0.772SS**  43.8123119.862.50000123.1
442S40.9Very low46.3Very low98 Ų98142 Ų14269%0.68577%0.768SS**  89.5157.4129.9-630000123.1
443F39.2Very low45.7Very low189 Ų189143.1 Ų143.183%0.82977%0.774SS**  trans8776.4164.2-58.7-70.1000121.1
444S37.3Very low45.8Very low109 Ų109141.7 Ų141.776%0.76278%0.781SS**  47118.9113.2-53.80000122.7
445A39.2Very low45.4Very low111 Ų111140 Ų14092%0.91778%0.775SS**  trans69.5129.2140.100000120.8
446G39.4Very low45.5Very low80 Ų80140.6 Ų140.683%0.82578%0.776SS**  trans176.1115.6170.300000113.3
447A41.8Very low44.6Very low94 Ų94139.1 Ų139.178%0.77777%0.766SS**  trans-72.4164-165.600000118.1
448D44Very low44.1Very low124 Ų124138.9 Ų138.966%0.66377%0.765SS**  trans50124.5141.6-86.6-119.3000123.6
449R45.6Very low43.4Very low195 Ų195137.9 Ų137.974%0.73676%0.758SS**  97127.3125.4-77.5172-170.2-145.1-3123.3
450Q48.6Very low43.3Very low156 Ų156138.1 Ų138.173%0.72975%0.754SS**  trans70.1111.5135.3-66.41788.600118.1
451K42.7Very low43Very low176 Ų176140.7 Ų140.777%0.76576%0.756SS**  79.792.663.8-175.7-171.9177.9174.90113.9
452K42.3Very low43.1Very low193 Ų193141.5 Ų141.584%0.83976%0.755SS**  trans-176.8120.3138.7-93.5143.4-172176.60106.7
453N38.8Very low43.5Very low134 Ų134144.1 Ų144.172%0.71776%0.756SS**  85.3143.566-78.632.9000112.9
454S45.4Very low43.5Very low122 Ų122142.2 Ų142.285%0.85376%0.755SS**  trans92.9141.9170.6-51.50000115.8
455S44.7Very low43.9Very low96 Ų96142.1 Ų142.167%0.67175%0.752SS**  cis-169.7-175.9-19.7-168.20000108.9
456I49.3Very low44.1Very low159 Ų159143.1 Ų143.182%0.81575%0.746SS**  trans77139.8166.8-51.9163.6000114.9
457K43.2Very low44.1Very low166 Ų166146.2 Ų146.272%0.72274%0.743SS**  -173.1158.6-51.5-112.3177.5179.6-177.80109
458H42.8Very low44.3Very low161 Ų161148.7 Ų148.775%0.74574%0.742SS**  trans75.5151.2162.1-80.1-152.2000119.3
459K44.9Very low43.8Very low156 Ų156147.9 Ų147.968%0.67874%0.742SS**  cis178.9115.9-34.5148.6172.5171.8-165.80110.6
460E47Very low43.5Very low147 Ų147143.8 Ų143.869%0.68774%0.739SS**  trans159.8121.8134.5-88.2-175.3105.900109.8
461K42Very low43.1Very low169 Ų169144.8 Ų144.874%0.73574%0.743SS**  81.8124.779.6-137.4-166.5-177.7-177.50109.9
462I46.4Very low42.9Very low136 Ų136141.2 Ų141.270%0.69774%0.74SS**  cis-144.3150.740.4-75.1164.2000112.8
463Q47.9Very low42.8Very low153 Ų153140.7 Ų140.772%0.71574%0.741SS**  trans-4.6128.1167.8-69.7139.4-97.600121
464N40.2Very low42.8Very low149 Ų149139.1 Ų139.180%0.79774%0.736SS**  72.1147.963.9-68.77000115.7
465P45.8Very low42.6Very low108 Ų108141.2 Ų141.270%0.70173%0.733SS**  cis-148.4179.9-34.244.2-26.8000116
466V43.1Very low42.3Very low132 Ų132141.6 Ų141.680%0.873%0.733SS**  trans63.3107.4161.9-171.10000118.8
467D39.1Very low41.8Very low144 Ų144141.1 Ų141.177%0.7773%0.732SS**  -155.4-180102.3-138.9-38.7000111.4
468I46.3Very low41.7Very low146 Ų146140.4 Ų140.475%0.74973%0.734SS**  trans-70.3134.2-159.6-68.8159.8000115.2T470I468-T470 PolarHBondContact O-N 2.75Å
469T34.6Very low41.8Very low108 Ų108136.6 Ų136.666%0.66372%0.724SS**  trans-67122.1171.1-28.10000112.3E471T469-E471 HydrophobicContact CG2-CG 4.29Å; T469-E471 WeakPolarHBondContact CG2-OE1 3.24Å
470T38.2Very low41.8Very low108 Ų108131.5 Ų131.566%0.66371%0.708SS**  trans-148.484160-54.30000110.2I468 S472I468-T470 PolarHBondContact O-N 2.75Å; T470-S472 PolarHBondContact O-N 2.96Å; T470-S472 VanDerWaalsContact O-N 3.07Å; T470-S472 PolarHBondContact O-OG 3.11Å
471E41.2Very low42.3Very low177 Ų177129.2 Ų129.283%0.82771%0.709SS**  trans-62.8109.4-178.3-70.3158-139.400110.3T469T469-E471 HydrophobicContact CG2-CG 4.29Å; T469-E471 WeakPolarHBondContact CG2-OE1 3.24Å
472S37.5Very low43.4Very low101 Ų101127.4 Ų127.471%0.70671%0.706SS**  trans-125.446-170.1-58.30000112.4T470T470-S472 PolarHBondContact O-N 2.96Å; T470-S472 VanDerWaalsContact O-N 3.07Å; T470-S472 PolarHBondContact O-OG 3.11Å
473E41.3Very low44.9Very low183 Ų183126.9 Ų126.986%0.85570%0.701SS**  trans-135.5148173.6-72.2-166.57100109.7
474T38.4Very low46.5Very low100 Ų100123.3 Ų123.361%0.61368%0.681SS**  cis-158166.7-22.5-75.60000105.4
475Q40.7Very low48.6Very low166 Ų166116.4 Ų116.478%0.77664%0.644SS**  trans82.1138.6176.9-48-66.8-13.800116.7
476P39Very low50.4Low104 Ų104120.1 Ų120.168%0.67565%0.649SS**  cis-123.5140.2-37.335.8-23000112.4I478P476-I478 PolarHBondContact O-N 2.79Å
477N37.3Very low52.3Low149 Ų149120.4 Ų120.480%0.79764%0.64SS**  trans-74.9110.1177.1-174.5-19.4000110.3P479N477-P479 VanDerWaalsContact O-CD 3.31Å; N477-P479 WeakPolarHBondContact O-CD 3.36Å
478I42.4Very low54.3Low151 Ų151117.5 Ų117.577%0.77462%0.618SS**  trans-78.3112.3178.3-54.7174.9000109.2P476P476-I478 PolarHBondContact O-N 2.79Å
479P44.8Very low55.9Low81 Ų81115.2 Ų115.253%0.52661%0.613SS.*  trans-70.5152.6-176.529.5-35.3000112.4N477 S481N477-P479 VanDerWaalsContact O-CD 3.31Å; N477-P479 WeakPolarHBondContact O-CD 3.36Å; P479-S481 PolarHBondContact O-N 3.21Å
480S43.9Very low58.2Low49 Ų49117.1 Ų117.134%0.34362%0.619SS.*  trans-75.670.9179-165.10000111L482 E483S480-L482 PolarHBondContact O-N 3.5Å; S480-E483 PolarHBondContact O-N 3.07Å
481S57.3Low60.5Low100 Ų100112.7 Ų112.770%0.69959%0.592SS**THydrogen-bonded Turntrans-67.42.1-145.959.70000118.5P479P479-S481 PolarHBondContact O-N 3.21Å
482L66.9Low62.8Low130 Ų130116.2 Ų116.268%0.68160%0.598SS**THydrogen-bonded Turntrans-148.110.4170.4-141.671.6000116.5S480 I500 T519S480-L482 PolarHBondContact O-N 3.5Å; L482-I500 HydrophobicContact CD1-CD1 4.05Å; L482-I500 HydrophobicContact CG-CD1 4.47Å; L482-T519 HydrophobicContact CD1-CG2 4.09Å; L482-T519 HydrophobicContact CG-CG2 4.12Å
483E76.6Confident65Low126 Ų126115.5 Ų115.559%0.58959%0.586SS**PPolyproline II helixtrans-85.7131.3175.3-69.8-153.817400112.2S480 Y499 I500S480-E483 PolarHBondContact O-N 3.07Å; E483-Y499 HydrophobicContact CB-CD1 4.19Å; E483-I500 PolarHBondContact O-N 3.45Å
484R80.9Confident66.9Low77 Ų77108.6 Ų108.629%0.29156%0.564SS.*BIsolated β-bridgetrans-69.7132.6171.5-170.8-170.4-62.4-129.32.1109.1K486 I500 P502 C518 T519 F520R484-K486 PolarHBondContact O-N 2.98Å; R484-I500 WeakPolarHBondContact CA-O 3.27Å; R484-P502 HydrophobicContact CG-CG 4.11Å; R484-P502 VanDerWaalsContact CZ-CG 3.46Å; R484-C518 PolarHBondContact NH2-O 3.41Å; R484-T519 PolarHBondContact NH2-O 3.2Å; R484-F520 PolarHBondContact NH2-O 3.2Å
485C86Confident68.7Low4 Ų4110.1 Ų110.13%0.02758%0.579CS.*PPolyproline II helixtrans-56.5126-177.4-177.10000112.4F487 W488 C491 C497 I500 H501C485-F487 PolarHBondContact O-N 2.88Å; C485-F487 VanDerWaalsContact O-N 3.12Å; C485-F487 PolarHBondContact SG-N 2.79Å; C485-W488 HydrophobicContact CB-CB 4.04Å; C485-W488 WeakPolarHBondContact O-CB 3.42Å; C485-W488 PolarHBondContact O-N 3.05Å; C485-W488 VanDerWaalsContact O-N 3.11Å; C485-C491 VanDerWaalsContact SG-SG 3.62Å; C485-C497 VanDerWaalsContact SG-SG 3.62Å; C485-I500 PolarHBondContact N-O 3.19Å; C485-H501 WeakPolarHBondContact CB-CD2 3.26Å; C485-H501 WeakPolarHBondContact CB-NE2 3.36Å; C485-H501 PolarHBondContact SG-NE2 3.11Å; C485-H501 VanDerWaalsContact SG-NE2 3.37Å
486K83.3Confident70.7Confident187 Ų187106.6 Ų106.681%0.81357%0.573SS**THydrogen-bonded Turntrans-57.4-26.2177.6-175.9-174.3171.9-165.80113.4R484R484-K486 PolarHBondContact O-N 2.98Å
487F83.2Confident72.9Confident138 Ų138102.7 Ų102.761%0.60555%0.547SS*.THydrogen-bonded Turntrans-96.2-7-177.7-58-75.4000113.7C485 N490 C491C485-F487 PolarHBondContact O-N 2.88Å; C485-F487 VanDerWaalsContact O-N 3.12Å; C485-F487 PolarHBondContact SG-N 2.79Å; F487-N490 CarbonylContact O-C 3.56Å; F487-N490 WeakPolarHBondContact O-CA 3.48Å; F487-N490 PolarHBondContact O-N 3.39Å; F487-C491 HydrophobicContact CB-CB 3.99Å; F487-C491 PolarHBondContact O-N 2.68Å
488W79.9Confident75.2Confident83 Ų8399.1 Ų99.131%0.31453%0.533SS..  trans-66.1137.8177.8-17988.4000111.2C485 H501 P502 V521C485-W488 HydrophobicContact CB-CB 4.04Å; C485-W488 WeakPolarHBondContact O-CB 3.42Å; C485-W488 PolarHBondContact O-N 3.05Å; C485-W488 VanDerWaalsContact O-N 3.11Å; W488-H501 AromaticContact CD1-CD2 3.41Å; W488-H501 VanDerWaalsContact CD1-CD2 3.41Å; W488-H501 AromaticContact CD1-CG 3.64Å; W488-H501 AromaticContact CG-CD2 3.86Å; W488-P502 HydrophobicContact CZ2-CG 4.33Å; W488-P502 WeakPolarHBondContact CZ2-O 3.15Å; W488-V521 HydrophobicContact CH2-CG2 4.02Å; W488-V521 HydrophobicContact CZ2-CG2 4.39Å
489P81Confident77.3Confident97 Ų9797 Ų9763%0.6352%0.515SS*.SBendcis-80-18.96.830.6-34.4000115.4C491P489-C491 PolarHBondContact O-N 3.12Å
490N82.5Confident79.2Confident148 Ų14895.7 Ų95.779%0.79150%0.503SS*.SBendtrans-79.134.9-173.6-60.614.2000114F487 R492F487-N490 CarbonylContact O-C 3.56Å; F487-N490 WeakPolarHBondContact O-CA 3.48Å; F487-N490 PolarHBondContact O-N 3.39Å; N490-R492 PolarHBondContact O-N 3.09Å
491C87Confident81.3Confident15 Ų1595.7 Ų95.710%0.10150%0.498CS..  trans-84113.7-177-173.70000111.7C485 F487 P489 N493 G494 H501C485-C491 VanDerWaalsContact SG-SG 3.62Å; F487-C491 HydrophobicContact CB-CB 3.99Å; F487-C491 PolarHBondContact O-N 2.68Å; P489-C491 PolarHBondContact O-N 3.12Å; C491-N493 PolarHBondContact O-N 2.86Å; C491-G494 PolarHBondContact O-N 3.22Å; C491-H501 WeakPolarHBondContact CB-CE1 3.14Å; C491-H501 VanDerWaalsContact CB-NE2 3.26Å; C491-H501 WeakPolarHBondContact CB-NE2 3.31Å; C491-H501 VanDerWaalsContact SG-CE1 3.58Å
492R89.1Confident82.6Confident251 Ų25191.5 Ų91.595%0.94747%0.469SS*.THydrogen-bonded Turntrans-55.6-22.7178.6-177.5173.4171.3-178.4-3.5114.4N490N490-R492 PolarHBondContact O-N 3.09Å
493N83.5Confident83.3Confident87 Ų8791.6 Ų91.647%0.46548%0.475SS..THydrogen-bonded Turntrans-81.6-8.6179.4-66.180.1000114.2C491 S495 S496 C497C491-N493 PolarHBondContact O-N 2.86Å; N493-S495 PolarHBondContact O-N 3.13Å; N493-S495 VanDerWaalsContact O-N 3.13Å; N493-S496 PolarHBondContact O-N 3.14Å; N493-S496 PolarHBondContact O-OG 2.87Å; N493-C497 HydrophobicContact CB-CB 3.8Å
494G80.7Confident83.7Confident38 Ų3891 Ų9139%0.39247%0.472SS..G310 helixtrans52.2-120.5174.100000113.3C491 H501C491-G494 PolarHBondContact O-N 3.22Å; G494-H501 PolarHBondContact O-CE1 2.98Å; G494-H501 PolarHBondContact O-ND1 2.83Å
495S77.9Confident84.1Confident131 Ų13191.2 Ų91.292%0.91648%0.483SS*.G310 helixtrans-78-19.317649.10000114.8N493 C497N493-S495 PolarHBondContact O-N 3.13Å; N493-S495 VanDerWaalsContact O-N 3.13Å; S495-C497 VanDerWaalsContact C-N 3.27Å; S495-C497 PolarHBondContact O-N 2.73Å
496S82.2Confident84.2Confident93 Ų9391.6 Ų91.665%0.6549%0.486SS*.G310 helixtrans-89.619.1177.867.80000113.5N493N493-S496 PolarHBondContact O-N 3.14Å; N493-S496 PolarHBondContact O-OG 2.87Å
497C85.8Confident84.4Confident21 Ų2190.1 Ų90.114%0.14248%0.482CS..  trans-80.9131.6174.5-162.40000110.8C485 N493 S495 Y499 H501C485-C497 VanDerWaalsContact SG-SG 3.62Å; N493-C497 HydrophobicContact CB-CB 3.8Å; S495-C497 VanDerWaalsContact C-N 3.27Å; S495-C497 PolarHBondContact O-N 2.73Å; C497-Y499 PolarHBondContact O-N 3.43Å; C497-H501 WeakPolarHBondContact CB-CE1 3.37Å
498P85Confident84.5Confident75 Ų7588.7 Ų88.749%0.48748%0.48SS..SBendtrans-74.816.1176.132.4-37000114
499Y85.1Confident84.8Confident105 Ų10587.6 Ų87.641%0.41248%0.477SS..SBendtrans-133.8150.7-177.9-62.2-80.1000110.2E483 C497 H501E483-Y499 HydrophobicContact CB-CD1 4.19Å; C497-Y499 PolarHBondContact O-N 3.43Å; Y499-H501 PolarHBondContact O-N 3.37Å
500I86Confident85.1Confident54 Ų5487.2 Ų87.228%0.27748%0.475SS..BIsolated β-bridgetrans-70.5130.4-169.3-60.9178.3000111.9L482 E483 R484 C485 P502 T519L482-I500 HydrophobicContact CD1-CD1 4.05Å; L482-I500 HydrophobicContact CG-CD1 4.47Å; E483-I500 PolarHBondContact O-N 3.45Å; R484-I500 WeakPolarHBondContact CA-O 3.27Å; C485-I500 PolarHBondContact N-O 3.19Å; I500-P502 HydrophobicContact CG2-CB 4.38Å; I500-P502 WeakPolarHBondContact O-CD 3.49Å; I500-T519 HydrophobicContact CD1-CG2 4.16Å
501H88.1Confident85.1Confident50 Ų5091.4 Ų91.423%0.23148%0.48CS..  trans-110.993.7170.7-71.2165.8000110.3C485 W488 C491 G494 C497 Y499 T503C485-H501 WeakPolarHBondContact CB-CD2 3.26Å; C485-H501 WeakPolarHBondContact CB-NE2 3.36Å; C485-H501 PolarHBondContact SG-NE2 3.11Å; C485-H501 VanDerWaalsContact SG-NE2 3.37Å; W488-H501 AromaticContact CD1-CD2 3.41Å; W488-H501 VanDerWaalsContact CD1-CD2 3.41Å; W488-H501 AromaticContact CD1-CG 3.64Å; W488-H501 AromaticContact CG-CD2 3.86Å; C491-H501 WeakPolarHBondContact CB-CE1 3.14Å; C491-H501 VanDerWaalsContact CB-NE2 3.26Å; C491-H501 WeakPolarHBondContact CB-NE2 3.31Å; C491-H501 VanDerWaalsContact SG-CE1 3.58Å; G494-H501 PolarHBondContact O-CE1 2.98Å; G494-H501 PolarHBondContact O-ND1 2.83Å; C497-H501 WeakPolarHBondContact CB-CE1 3.37Å; Y499-H501 PolarHBondContact O-N 3.37Å; H501-T503 PolarHBondContact O-N 2.97Å
502P83.7Confident85.1Confident12 Ų1291 Ų918%0.07848%0.477CS..  trans-90108.8-170.732.8-33000112.2R484 W488 I500 T519 V521R484-P502 HydrophobicContact CG-CG 4.11Å; R484-P502 VanDerWaalsContact CZ-CG 3.46Å; W488-P502 HydrophobicContact CZ2-CG 4.33Å; W488-P502 WeakPolarHBondContact CZ2-O 3.15Å; I500-P502 HydrophobicContact CG2-CB 4.38Å; I500-P502 WeakPolarHBondContact O-CD 3.49Å; P502-T519 WeakPolarHBondContact CB-O 3.2Å; P502-T519 WeakPolarHBondContact CG-O 3.16Å; P502-V521 WeakPolarHBondContact O-CG2 3.43Å
503T82.8Confident84.8Confident132 Ų13287.5 Ų87.581%0.8147%0.469SS*.  trans-81.1-30.2177.4-46.50000112.7H501H501-T503 PolarHBondContact O-N 2.97Å
504E85.3Confident84.6Confident113 Ų11388.1 Ų88.153%0.52847%0.467SS..SBendtrans-88.6145.1-169.4-68.2-170.6170.500114.9F520 V521E504-F520 HydrophobicContact CB-CD1 3.96Å; E504-F520 HydrophobicContact CB-CE1 4.27Å; E504-V521 PolarHBondContact O-N 3.12Å
505P88Confident84.6Confident82 Ų8286.9 Ų86.953%0.53246%0.455SS..BIsolated β-bridgetrans-72.1148.8169.632.5-35.1000111.6Q507 V521P505-Q507 PolarHBondContact O-N 3.34Å; P505-V521 CarbonylContact C-O 3.57Å; P505-V521 WeakPolarHBondContact CA-O 3.39Å
506C87.5Confident84.4Confident12 Ų1284.3 Ų84.38%0.08144%0.441CS..  trans-73.2115.7179.8-170.80000112L508 F509 C512 F520 V521 H522C506-L508 PolarHBondContact O-N 3.5Å; C506-L508 PolarHBondContact SG-N 2.88Å; C506-F509 HydrophobicContact CB-CB 4.29Å; C506-F509 VanDerWaalsContact O-CB 3.27Å; C506-F509 WeakPolarHBondContact O-CB 3.42Å; C506-F509 PolarHBondContact O-N 3.22Å; C506-C512 VanDerWaalsContact SG-SG 3.63Å; C506-F520 HydrophobicContact CB-CB 3.59Å; C506-F520 HydrophobicContact CB-CG 4.39Å; C506-V521 PolarHBondContact N-O 3.24Å; C506-H522 WeakPolarHBondContact CB-CD2 3.38Å; C506-H522 VanDerWaalsContact CB-NE2 3.31Å; C506-H522 WeakPolarHBondContact CB-NE2 3.4Å
507Q87.4Confident84.2Confident156 Ų15685.6 Ų85.673%0.72945%0.445SS*.THydrogen-bonded Turntrans-59.8-17.3175.2-53.3-59.6-16.300113.9P505P505-Q507 PolarHBondContact O-N 3.34Å
508L86Confident84.2Confident107 Ų10784.9 Ų84.956%0.5644%0.441SS*.THydrogen-bonded Turntrans-93.2-4.3176.2-59.5178.3000113.6C506 R511 C512C506-L508 PolarHBondContact O-N 3.5Å; C506-L508 PolarHBondContact SG-N 2.88Å; L508-R511 CarbonylContact O-C 3.56Å; L508-R511 WeakPolarHBondContact O-CA 3.5Å; L508-R511 PolarHBondContact O-N 3.23Å; L508-C512 HydrophobicContact CB-CB 4.12Å; L508-C512 PolarHBondContact O-N 2.94Å
509F86.5Confident84.2Confident60 Ų6083.4 Ų83.426%0.26343%0.431SS..THydrogen-bonded Turntrans-67.2135.7175.6-177.4-90.7000110.3C506 H522 P523 A537 F538C506-F509 HydrophobicContact CB-CB 4.29Å; C506-F509 VanDerWaalsContact O-CB 3.27Å; C506-F509 WeakPolarHBondContact O-CB 3.42Å; C506-F509 PolarHBondContact O-N 3.22Å; F509-H522 HydrophobicContact CD2-CB 3.85Å; F509-H522 AromaticContact CD2-CG 3.93Å; F509-H522 HydrophobicContact CE2-CB 4.16Å; F509-P523 HydrophobicContact CD1-CG 4.27Å; F509-P523 HydrophobicContact CE1-CG 3.8Å; F509-P523 HydrophobicContact CE2-CG 4.43Å; F509-P523 HydrophobicContact CZ-CB 4.42Å; F509-P523 HydrophobicContact CZ-CG 3.9Å; F509-A537 HydrophobicContact CE2-CB 4.46Å; F509-A537 WeakPolarHBondContact CE2-O 3.45Å; F509-F538 HydrophobicContact CE2-CD1 4.25Å; F509-F538 HydrophobicContact CE2-CE1 4.38Å; F509-F538 HydrophobicContact CE2-CG 4.4Å; F509-F538 AromaticContact CZ-CD1 3.99Å; F509-F538 HydrophobicContact CZ-CD1 3.99Å; F509-F538 AromaticContact CZ-CE1 3.71Å; F509-F538 HydrophobicContact CZ-CE1 3.71Å; F509-F538 HydrophobicContact CZ-CZ 4Å
510P86.1Confident84.2Confident90 Ų9082.2 Ų82.258%0.58443%0.428SS*.THydrogen-bonded Turncis-92.98.59.937.4-37.5000115.5A537P510-A537 WeakPolarHBondContact O-CB 3.4Å
511R83.4Confident84.3Confident235 Ų23581.7 Ų81.789%0.88743%0.427SS*.SBendtrans-97.319.4-179-64.6-175.6177.3173.20.3113.6L508 K513L508-R511 CarbonylContact O-C 3.56Å; L508-R511 WeakPolarHBondContact O-CA 3.5Å; L508-R511 PolarHBondContact O-N 3.23Å; R511-K513 PolarHBondContact O-N 3.05Å; R511-K513 VanDerWaalsContact O-N 3.13Å
512C86.1Confident84.3Confident7 Ų779.4 Ų79.45%0.04742%0.416CS..  trans-69.6109.5-175.5-1780000111.7C506 L508 F514 G515 H522C506-C512 VanDerWaalsContact SG-SG 3.63Å; L508-C512 HydrophobicContact CB-CB 4.12Å; L508-C512 PolarHBondContact O-N 2.94Å; C512-F514 PolarHBondContact O-N 2.7Å; C512-G515 PolarHBondContact O-N 3.31Å; C512-G515 VanDerWaalsContact O-N 3.17Å; C512-H522 PolarHBondContact SG-CE1 3.13Å; C512-H522 PolarHBondContact SG-NE2 2.88Å
513K84.3Confident84.5Confident178 Ų17881.7 Ų81.777%0.77443%0.431SS*.THydrogen-bonded Turntrans-58-17.7179.867.9179.2-177.2177.70115R511R511-K513 PolarHBondContact O-N 3.05Å; R511-K513 VanDerWaalsContact O-N 3.13Å
514F79.5Confident84.8Confident99 Ų9980.1 Ų80.143%0.43442%0.423SS..THydrogen-bonded Turntrans-88.5-16.4-177.7-56.7-73.6000113.4C512 A516 T517 C518C512-F514 PolarHBondContact O-N 2.7Å; F514-A516 PolarHBondContact O-N 3Å; F514-T517 PolarHBondContact O-N 2.93Å; F514-T517 PolarHBondContact O-OG1 3.06Å; F514-C518 HydrophobicContact CB-CB 3.8Å
515G79Confident85Confident12 Ų1275.4 Ų75.412%0.12440%0.402CS..G310 helixtrans48.3-116.8176.700000113.4C512 C518 H522C512-G515 PolarHBondContact O-N 3.31Å; C512-G515 VanDerWaalsContact O-N 3.17Å; G515-C518 PolarHBondContact O-N 3.04Å; G515-H522 PolarHBondContact O-CE1 2.88Å; G515-H522 PolarHBondContact O-ND1 2.8Å
516A74.8Confident85.2Confident77 Ų7783 Ų8364%0.63642%0.42SS*.G310 helixtrans-74.8-14.9179.400000115.4F514F514-A516 PolarHBondContact O-N 3Å
517T78Confident85.2Confident120 Ų12090.3 Ų90.374%0.73645%0.447SS*.G310 helixtrans-97.17.8175.362.80000113.2F514 T519F514-T517 PolarHBondContact O-N 2.93Å; F514-T517 PolarHBondContact O-OG1 3.06Å; T517-T519 PolarHBondContact O-N 2.93Å
518C85.4Confident85.1Confident6 Ų684.1 Ų84.14%0.04143%0.425CS..  trans-63.2138.5174.4-161.50000110.9R484 F514 G515 H522R484-C518 PolarHBondContact NH2-O 3.41Å; F514-C518 HydrophobicContact CB-CB 3.8Å; G515-C518 PolarHBondContact O-N 3.04Å; C518-H522 WeakPolarHBondContact CB-NE2 3.41Å
519T84.7Confident85Confident45 Ų4583 Ų8328%0.27643%0.432SS..SBendtrans-64.2-44.2170.845.30000110.8L482 R484 I500 P502 T517L482-T519 HydrophobicContact CD1-CG2 4.09Å; L482-T519 HydrophobicContact CG-CG2 4.12Å; R484-T519 PolarHBondContact NH2-O 3.2Å; I500-T519 HydrophobicContact CD1-CG2 4.16Å; P502-T519 WeakPolarHBondContact CB-O 3.2Å; P502-T519 WeakPolarHBondContact CG-O 3.16Å; T517-T519 PolarHBondContact O-N 2.93Å
520F85.8Confident85Confident80 Ų8087.5 Ų87.535%0.35146%0.457SS..SBendtrans-70166.9179-62.2-87.2000114R484 E504 C506R484-F520 PolarHBondContact NH2-O 3.2Å; E504-F520 HydrophobicContact CB-CD1 3.96Å; E504-F520 HydrophobicContact CB-CE1 4.27Å; C506-F520 HydrophobicContact CB-CB 3.59Å; C506-F520 HydrophobicContact CB-CG 4.39Å
521V87.2Confident85.2Confident43 Ų4384.3 Ų84.326%0.26144%0.437SS..BIsolated β-bridgetrans-83.7130.3178.2-174.40000110.9W488 P502 E504 P505 C506W488-V521 HydrophobicContact CH2-CG2 4.02Å; W488-V521 HydrophobicContact CZ2-CG2 4.39Å; P502-V521 WeakPolarHBondContact O-CG2 3.43Å; E504-V521 PolarHBondContact O-N 3.12Å; P505-V521 CarbonylContact C-O 3.57Å; P505-V521 WeakPolarHBondContact CA-O 3.39Å; C506-V521 PolarHBondContact N-O 3.24Å
522H88.5Confident85.4Confident2 Ų279.8 Ų79.81%0.00944%0.436CS..  trans-107.6151.4163.8-52.3164.5000109.8C506 F509 C512 G515 C518 A537 T539C506-H522 WeakPolarHBondContact CB-CD2 3.38Å; C506-H522 VanDerWaalsContact CB-NE2 3.31Å; C506-H522 WeakPolarHBondContact CB-NE2 3.4Å; F509-H522 HydrophobicContact CD2-CB 3.85Å; F509-H522 AromaticContact CD2-CG 3.93Å; F509-H522 HydrophobicContact CE2-CB 4.16Å; C512-H522 PolarHBondContact SG-CE1 3.13Å; C512-H522 PolarHBondContact SG-NE2 2.88Å; G515-H522 PolarHBondContact O-CE1 2.88Å; G515-H522 PolarHBondContact O-ND1 2.8Å; C518-H522 WeakPolarHBondContact CB-NE2 3.41Å; H522-A537 PolarHBondContact ND1-O 2.85Å; H522-T539 HydrophobicContact CB-CG2 4.05Å; H522-T539 VanDerWaalsContact O-CG2 3.29Å; H522-T539 WeakPolarHBondContact O-CG2 3.29Å; H522-T539 PolarHBondContact O-OG1 2.98Å
523P88.8Confident85.4Confident60 Ų6086.5 Ų86.539%0.3946%0.46SS..PPolyproline II helixtrans-54148.4171.5-26.535.3000113F509 F538 T539F509-P523 HydrophobicContact CD1-CG 4.27Å; F509-P523 HydrophobicContact CE1-CG 3.8Å; F509-P523 HydrophobicContact CE2-CG 4.43Å; F509-P523 HydrophobicContact CZ-CB 4.42Å; F509-P523 HydrophobicContact CZ-CG 3.9Å; P523-F538 HydrophobicContact CB-CD1 4.3Å; P523-F538 WeakPolarHBondContact O-CA 3.5Å; P523-F538 WeakPolarHBondContact O-CB 3.37Å; P523-F538 WeakPolarHBondContact O-CD1 3.42Å; P523-T539 PolarHBondContact O-N 3.12Å; P523-T539 PolarHBondContact O-OG1 3.47Å
524P88.1Confident85.3Confident99 Ų9984.5 Ų84.564%0.64347%0.465SS*.BIsolated β-bridgetrans-67.7141.6-178.527.4-34.9000112.3T539P524-T539 WeakPolarHBondContact CA-OG1 3.41Å
525C90.7Very high85.4Confident13 Ų1384.5 Ų84.59%0.08847%0.47CS..PPolyproline II helixtrans-69.2131178.6-175.50000111.3Y527 G528 C531 F538 T539 H540C525-Y527 PolarHBondContact O-N 3.35Å; C525-Y527 PolarHBondContact SG-N 3.25Å; C525-G528 PolarHBondContact O-N 3.08Å; C525-C531 VanDerWaalsContact SG-SG 3.67Å; C525-F538 HydrophobicContact CB-CB 3.61Å; C525-F538 HydrophobicContact CB-CG 4.46Å; C525-T539 WeakPolarHBondContact CB-O 3.46Å; C525-T539 PolarHBondContact N-O 3.02Å; C525-H540 WeakPolarHBondContact CB-CD2 3.42Å; C525-H540 WeakPolarHBondContact CB-NE2 3.29Å; C525-H540 PolarHBondContact SG-NE2 3.15Å
526R90.4Very high85.7Confident241 Ų24184.5 Ų84.591%0.90947%0.468SS*.THydrogen-bonded Turntrans-58.5-17.2175.2-68.9-174.4174.6-170.2-2.1114.6
527Y88.4Confident86.3Confident167 Ų16781.8 Ų81.866%0.65545%0.446SS*.THydrogen-bonded Turntrans-102.6-7.2177.1-56.8-75.9000113.3C525 A529 L530C525-Y527 PolarHBondContact O-N 3.35Å; C525-Y527 PolarHBondContact SG-N 3.25Å; Y527-A529 PolarHBondContact O-N 3.36Å; Y527-L530 WeakPolarHBondContact O-CA 3.12Å; Y527-L530 WeakPolarHBondContact O-CB 3.36Å; Y527-L530 PolarHBondContact O-N 3.34Å
528G85.3Confident86.7Confident25 Ų2580 Ų8026%0.25843%0.428SS..G310 helixtrans50.2-136.6-176.300000112.5C525 L530 C531 H540C525-G528 PolarHBondContact O-N 3.08Å; G528-L530 PolarHBondContact O-N 3.42Å; G528-L530 VanDerWaalsContact O-N 3.15Å; G528-C531 PolarHBondContact O-N 3.22Å; G528-H540 PolarHBondContact O-CD2 3.46Å
529A84.5Confident86.7Confident85 Ų8581.6 Ų81.670%0.70244%0.437SS*.G310 helixtrans-67.7-5.1176.400000114.7Y527Y527-A529 PolarHBondContact O-N 3.36Å
530L86.7Confident86.7Confident153 Ų15381.8 Ų81.880%0.80144%0.435SS*.G310 helixtrans-95.210.4175.2-57.1176.8000112.7Y527 G528 T532Y527-L530 WeakPolarHBondContact O-CA 3.12Å; Y527-L530 WeakPolarHBondContact O-CB 3.36Å; Y527-L530 PolarHBondContact O-N 3.34Å; G528-L530 PolarHBondContact O-N 3.42Å; G528-L530 VanDerWaalsContact O-N 3.15Å; L530-T532 PolarHBondContact O-N 3.16Å
531C89.2Confident86.3Confident24 Ų2482.7 Ų82.716%0.16245%0.451CS..  trans-71.9117.8176.9-161.60000111.3C525 G528 R533 H540C525-C531 VanDerWaalsContact SG-SG 3.67Å; G528-C531 PolarHBondContact O-N 3.22Å; C531-R533 PolarHBondContact O-N 3.07Å; C531-H540 WeakPolarHBondContact CB-NE2 3.3Å
532T87.5Confident85.3Confident140 Ų14085.3 Ų85.386%0.85947%0.472SS*.  trans-82.98.1178.253.60000114L530L530-T532 PolarHBondContact O-N 3.16Å
533R86.2Confident83.8Confident147 Ų14794.1 Ų94.156%0.55551%0.51SS*.  trans-92.4116.4179.2-70.8-162.372.4126.60.5111.3C531 D535 C536C531-R533 PolarHBondContact O-N 3.07Å; R533-D535 IonicContact CZ-OD1 2.68Å; R533-D535 IonicContact CZ-OD2 3.58Å; R533-D535 IonicContact NE-OD1 3.66Å; R533-D535 PolarHBondContact NE-OD1 3.36Å; R533-D535 IonicContact NE-OD2 3.21Å; R533-D535 VanDerWaalsContact NH2-CG 3.3Å; R533-D535 IonicContact NH2-OD1 3.84Å; R533-D535 PolarHBondContact NH2-OD1 2.78Å; R533-D535 VanDerWaalsContact NH2-OD1 3.12Å; R533-D535 IonicContact NH2-OD2 2.66Å; R533-D535 PolarHBondContact NH2-OD2 2.92Å; R533-D535 PolarHBondContact O-N 2.9Å; R533-C536 HydrophobicContact CB-CB 4.04Å
534P82.2Confident82.2Confident136 Ų13699.8 Ų99.888%0.88353%0.528SS*.THydrogen-bonded Turntrans-69.6-23174.330.5-35.1000112.2
535D81.1Confident80.2Confident99 Ų99100.7 Ų100.753%0.52953%0.532SS..THydrogen-bonded Turntrans-100.121.8-177.371.4-29.1000113.3R533 A537R533-D535 IonicContact CZ-OD1 2.68Å; R533-D535 IonicContact CZ-OD2 3.58Å; R533-D535 IonicContact NE-OD1 3.66Å; R533-D535 PolarHBondContact NE-OD1 3.36Å; R533-D535 IonicContact NE-OD2 3.21Å; R533-D535 VanDerWaalsContact NH2-CG 3.3Å; R533-D535 IonicContact NH2-OD1 3.84Å; R533-D535 PolarHBondContact NH2-OD1 2.78Å; R533-D535 VanDerWaalsContact NH2-OD1 3.12Å; R533-D535 IonicContact NH2-OD2 2.66Å; R533-D535 PolarHBondContact NH2-OD2 2.92Å; R533-D535 PolarHBondContact O-N 2.9Å; D535-A537 PolarHBondContact O-N 2.81Å; D535-A537 VanDerWaalsContact O-N 3.13Å
536C86.2Confident78.1Confident13 Ų13106.9 Ų106.99%0.08856%0.563CS.*  trans-65.3115.6-172.6-164.20000112R533 F538 H540R533-C536 HydrophobicContact CB-CB 4.04Å; C536-F538 PolarHBondContact O-N 3.11Å; C536-H540 VanDerWaalsContact CB-CE1 3.4Å; C536-H540 WeakPolarHBondContact CB-CE1 3.31Å
537A87Confident75.5Confident20 Ų20100.9 Ų100.917%0.16556%0.555CS.*  trans-73.4-6.9176.700000114.2F509 P510 H522 D535F509-A537 HydrophobicContact CE2-CB 4.46Å; F509-A537 WeakPolarHBondContact CE2-O 3.45Å; P510-A537 WeakPolarHBondContact O-CB 3.4Å; H522-A537 PolarHBondContact ND1-O 2.85Å; D535-A537 PolarHBondContact O-N 2.81Å; D535-A537 VanDerWaalsContact O-N 3.13Å
538F86.3Confident73.4Confident82 Ų8297.8 Ų97.836%0.3655%0.554SS.*SBendtrans-90.7153.5178.6-66.5-99.1000111.2F509 P523 C525 C536F509-F538 HydrophobicContact CE2-CD1 4.25Å; F509-F538 HydrophobicContact CE2-CE1 4.38Å; F509-F538 HydrophobicContact CE2-CG 4.4Å; F509-F538 AromaticContact CZ-CD1 3.99Å; F509-F538 HydrophobicContact CZ-CD1 3.99Å; F509-F538 AromaticContact CZ-CE1 3.71Å; F509-F538 HydrophobicContact CZ-CE1 3.71Å; F509-F538 HydrophobicContact CZ-CZ 4Å; P523-F538 HydrophobicContact CB-CD1 4.3Å; P523-F538 WeakPolarHBondContact O-CA 3.5Å; P523-F538 WeakPolarHBondContact O-CB 3.37Å; P523-F538 WeakPolarHBondContact O-CD1 3.42Å; C525-F538 HydrophobicContact CB-CB 3.61Å; C525-F538 HydrophobicContact CB-CG 4.46Å; C536-F538 PolarHBondContact O-N 3.11Å
539T86Confident71.4Confident39 Ų39103.1 Ų103.124%0.23958%0.581CS.*BIsolated β-bridgetrans-68.4138172.943.40000110.9H522 P523 P524 C525H522-T539 HydrophobicContact CB-CG2 4.05Å; H522-T539 VanDerWaalsContact O-CG2 3.29Å; H522-T539 WeakPolarHBondContact O-CG2 3.29Å; H522-T539 PolarHBondContact O-OG1 2.98Å; P523-T539 PolarHBondContact O-N 3.12Å; P523-T539 PolarHBondContact O-OG1 3.47Å; P524-T539 WeakPolarHBondContact CA-OG1 3.41Å; C525-T539 WeakPolarHBondContact CB-O 3.46Å; C525-T539 PolarHBondContact N-O 3.02Å
540H84.9Confident69.4Low50 Ų50103.8 Ų103.823%0.23158%0.581CS.*  trans-105.7129.2165-61.5132.7000108.3C525 G528 C531 C536 S542C525-H540 WeakPolarHBondContact CB-CD2 3.42Å; C525-H540 WeakPolarHBondContact CB-NE2 3.29Å; C525-H540 PolarHBondContact SG-NE2 3.15Å; G528-H540 PolarHBondContact O-CD2 3.46Å; C531-H540 WeakPolarHBondContact CB-NE2 3.3Å; C536-H540 VanDerWaalsContact CB-CE1 3.4Å; C536-H540 WeakPolarHBondContact CB-CE1 3.31Å; H540-S542 PolarHBondContact O-N 2.94Å
541S78.2Confident67.6Low98 Ų9899 Ų9969%0.68556%0.563SS**  trans-65.887.9167.7-50.60000108.4K543S541-K543 PolarHBondContact O-N 3.03Å
542S65.8Low65.9Low99 Ų99102.1 Ų102.169%0.69258%0.578SS**  trans-74.775.6-167.8-163.60000111.3H540 K544H540-S542 PolarHBondContact O-N 2.94Å; S542-K544 PolarHBondContact O-N 3.3Å
543K56.1Low64.4Low186 Ų18698.6 Ų98.681%0.80956%0.557SS**  trans-58.995.4153-69.6-171.3177.6-172.70105.9S541 V545S541-K543 PolarHBondContact O-N 3.03Å; K543-V545 PolarHBondContact O-N 2.73Å; K543-V545 VanDerWaalsContact O-N 3.11Å
544K55.1Low63.1Low180 Ų18094.4 Ų94.478%0.78356%0.555SS**  trans-47.8124.1168.5-69.1-167.8178.8-169.50106.3S542 L546S542-K544 PolarHBondContact O-N 3.3Å; K544-L546 PolarHBondContact O-N 2.96Å
545V47.3Very low62.3Low117 Ų11794.8 Ų94.871%0.70954%0.544SS*.  trans-66.894.5173.5178.90000105.8K543 V548K543-V545 PolarHBondContact O-N 2.73Å; K543-V545 VanDerWaalsContact O-N 3.11Å; V545-V548 HydrophobicContact CG1-CG2 3.64Å
546L44.8Very low62.3Low144 Ų14494.3 Ų94.375%0.75454%0.541SS*.  trans-49.2132.6157.1-64.9175000105.7K544 V548K544-L546 PolarHBondContact O-N 2.96Å; L546-V548 PolarHBondContact O-N 3.06Å
547P37.3Very low62.2Low114 Ų11497.4 Ų97.474%0.7456%0.559SS**SBendtrans-50.8121.7-173.722.7-34000107.7V549P547-V549 PolarHBondContact O-N 3.38Å
548V42.8Very low62.3Low103 Ų10396.5 Ų96.562%0.62455%0.552SS**  trans-59.198.6-155.8178.90000109.9V545 L546 S550 A551V545-V548 HydrophobicContact CG1-CG2 3.64Å; L546-V548 PolarHBondContact O-N 3.06Å; V548-S550 VanDerWaalsContact C-N 3.33Å; V548-S550 PolarHBondContact O-N 3.05Å; V548-A551 HydrophobicContact CG1-CB 4.42Å
549V43.7Very low62.4Low136 Ų136103 Ų10382%0.82457%0.574SS**  trans-58.1106.4163.1175.90000103.8P547 A551P547-V549 PolarHBondContact O-N 3.38Å; V549-A551 PolarHBondContact O-N 2.92Å
550S43.7Very low62.4Low100 Ų100107.4 Ų107.470%0.69959%0.59SS**  trans-41.2109.2-159.8-173.60000110V548 N552V548-S550 VanDerWaalsContact C-N 3.33Å; V548-S550 PolarHBondContact O-N 3.05Å; S550-N552 PolarHBondContact O-N 3.17Å
551A48.4Very low62.2Low52 Ų52109.1 Ų109.143%0.4360%0.598SS.*  trans-68.485.5-176.100000106.8V548 V549V548-A551 HydrophobicContact CG1-CB 4.42Å; V549-A551 PolarHBondContact O-N 2.92Å
552N54Low62.2Low90 Ų90109.5 Ų109.548%0.48159%0.592SS.*  trans-56.1127.2-161.3-168.3-20.8000107.1S550 A554 Q555S550-N552 PolarHBondContact O-N 3.17Å; N552-A554 CarbonylContact O-C 3.59Å; N552-A554 PolarHBondContact O-N 2.91Å; N552-Q555 HydrophobicContact CB-CG 4.37Å; N552-Q555 WeakPolarHBondContact O-CB 3.39Å; N552-Q555 PolarHBondContact O-N 3.45Å
553P54.6Low63Low65 Ų65114.3 Ų114.342%0.42260%0.595SS.*G310 helixtrans-49.9-27.4-170.99.2-26.2000114.2Q555 I556 Q570P553-Q555 PolarHBondContact O-N 3.42Å; P553-Q555 VanDerWaalsContact O-N 3.16Å; P553-I556 PolarHBondContact O-N 2.84Å; P553-Q570 HydrophobicContact CB-CB 4.36Å; P553-Q570 WeakPolarHBondContact CB-O 3.03Å
554A58.9Low64.6Low60 Ų60107.1 Ų107.150%0.49657%0.568SS.*G310 helixtrans-65-0.1169.800000116.9N552 Y572N552-A554 CarbonylContact O-C 3.59Å; N552-A554 PolarHBondContact O-N 2.91Å; A554-Y572 WeakPolarHBondContact O-CB 3.37Å; A554-Y572 WeakPolarHBondContact O-CD2 3.49Å
555Q66.8Low66.1Low143 Ų143105.4 Ų105.467%0.66857%0.573SS**G310 helixtrans-105.1-19.7178.6-67-176.1-13.700113.7N552 P553N552-Q555 HydrophobicContact CB-CG 4.37Å; N552-Q555 WeakPolarHBondContact O-CB 3.39Å; N552-Q555 PolarHBondContact O-N 3.45Å; P553-Q555 PolarHBondContact O-N 3.42Å; P553-Q555 VanDerWaalsContact O-N 3.16Å
556I80.2Confident67.9Low89 Ų89103.8 Ų103.846%0.45656%0.56SS.*SBendtrans-96.7109.9178.3-60.7175000107.9P553 C558 F571 Y572P553-I556 PolarHBondContact O-N 2.84Å; I556-C558 PolarHBondContact O-N 2.69Å; I556-F571 HydrophobicContact CB-CD1 3.91Å; I556-F571 HydrophobicContact CB-CE1 4.33Å; I556-F571 HydrophobicContact CG2-CD1 3.64Å; I556-F571 HydrophobicContact CG2-CE1 3.86Å; I556-F571 CarbonylContact O-C 3.21Å; I556-F571 WeakPolarHBondContact O-CA 3.44Å; I556-F571 WeakPolarHBondContact O-CB 3.45Å; I556-Y572 PolarHBondContact O-N 3.14Å
557V85Confident69.6Low78 Ų78102.6 Ų102.647%0.47356%0.561SS.*BIsolated β-bridgetrans-60.4128.4178.1-175.30000110.2R559 Q561 Y572V557-R559 PolarHBondContact O-N 2.97Å; V557-Q561 HydrophobicContact CG1-CG 3.91Å; V557-Y572 WeakPolarHBondContact CA-O 3.46Å; V557-Y572 HydrophobicContact CG2-CD1 4.36Å
558C87.9Confident71.8Confident1 Ų1105 Ų1051%0.00756%0.562CS.*  trans-57.7129.7178.4-178.80000111I556 F560 Q561 F571 Y572 H573I556-C558 PolarHBondContact O-N 2.69Å; C558-F560 PolarHBondContact O-N 2.91Å; C558-Q561 VanDerWaalsContact O-CG 3.31Å; C558-Q561 WeakPolarHBondContact O-CG 3.49Å; C558-Q561 PolarHBondContact O-N 2.88Å; C558-Q561 PolarHBondContact O-NE2 3.35Å; C558-Q561 VanDerWaalsContact O-NE2 3.08Å; C558-F571 VanDerWaalsContact CA-CB 3.49Å; C558-F571 HydrophobicContact CB-CB 3.58Å; C558-Y572 PolarHBondContact N-O 3.26Å; C558-H573 VanDerWaalsContact CB-CD2 3.4Å; C558-H573 WeakPolarHBondContact CB-CD2 3.46Å; C558-H573 WeakPolarHBondContact CB-NE2 3.46Å; C558-H573 PolarHBondContact SG-NE2 3.02Å
559R88.7Confident73.7Confident219 Ų219101.6 Ų101.683%0.82654%0.542SS*.THydrogen-bonded Turntrans-59.5-17.1179.2-178.5173174.584.85.6114.2V557 Q561V557-R559 PolarHBondContact O-N 2.97Å; R559-Q561 PolarHBondContact O-OE1 2.99Å
560F85.8Confident75.7Confident131 Ų131102.4 Ų102.458%0.57554%0.537SS*.THydrogen-bonded Turntrans-101.3-9.5176.2-57.9-79.5000113.1C558 N562 R563 C564C558-F560 PolarHBondContact O-N 2.91Å; F560-N562 PolarHBondContact O-N 3.27Å; F560-R563 WeakPolarHBondContact O-CA 3.46Å; F560-R563 VanDerWaalsContact O-CB 3.32Å; F560-R563 WeakPolarHBondContact O-CB 3.36Å; F560-R563 PolarHBondContact O-N 2.79Å; F560-C564 HydrophobicContact CB-CB 3.97Å
561Q80.2Confident77.6Confident86 Ų86102.3 Ų102.340%0.40253%0.525SS..G310 helixtrans39.5-127.7-174.2-63.784.310.800111.1V557 C558 R559 R563 C564 H573V557-Q561 HydrophobicContact CG1-CG 3.91Å; C558-Q561 VanDerWaalsContact O-CG 3.31Å; C558-Q561 WeakPolarHBondContact O-CG 3.49Å; C558-Q561 PolarHBondContact O-N 2.88Å; C558-Q561 PolarHBondContact O-NE2 3.35Å; C558-Q561 VanDerWaalsContact O-NE2 3.08Å; R559-Q561 PolarHBondContact O-OE1 2.99Å; Q561-R563 PolarHBondContact O-N 3.34Å; Q561-C564 PolarHBondContact O-N 2.89Å; Q561-H573 PolarHBondContact O-CD2 3.08Å; Q561-H573 PolarHBondContact O-NE2 3.34Å
562N79.4Confident79.4Confident106 Ų106104.5 Ų104.557%0.56752%0.522SS*.G310 helixtrans-70.211-175.8-44.87000113.4F560 V576F560-N562 PolarHBondContact O-N 3.27Å; N562-V576 HydrophobicContact CB-CG2 4.43Å
563R83.1Confident80.8Confident201 Ų201103.5 Ų103.576%0.75852%0.515SS*.G310 helixtrans-115.46.3174.3-47.4-178.4-172.5-85.11.8112.5F560 Q561 T565F560-R563 WeakPolarHBondContact O-CA 3.46Å; F560-R563 VanDerWaalsContact O-CB 3.32Å; F560-R563 WeakPolarHBondContact O-CB 3.36Å; F560-R563 PolarHBondContact O-N 2.79Å; Q561-R563 PolarHBondContact O-N 3.34Å; R563-T565 PolarHBondContact O-N 2.85Å
564C88.2Confident81.9Confident35 Ų35102.9 Ų102.924%0.23651%0.511CS..  trans-72.7123.1175.5-161.20000110.6F560 Q561 C569 H573F560-C564 HydrophobicContact CB-CB 3.97Å; Q561-C564 PolarHBondContact O-N 2.89Å; C564-C569 VanDerWaalsContact SG-SG 3.6Å; C564-H573 WeakPolarHBondContact CB-NE2 3.16Å
565T87.5Confident82.4Confident143 Ų143104.7 Ų104.788%0.87752%0.517SS*.  trans-94.34.9178.952.20000113.6R563 P567R563-T565 PolarHBondContact O-N 2.85Å; T565-P567 WeakPolarHBondContact O-CD 3.21Å
566N84Confident82.4Confident84 Ų84102.5 Ų102.545%0.44951%0.513SS..  trans-93.7114.7179.8-179.12.1000110.7H568 C569N566-H568 VanDerWaalsContact C-N 3.25Å; N566-H568 PolarHBondContact O-N 3.5Å; N566-H568 PolarHBondContact OD1-N 2.73Å; N566-C569 HydrophobicContact CB-CB 4.42Å; N566-C569 WeakPolarHBondContact O-CB 3.4Å; N566-C569 PolarHBondContact O-N 3.16Å
567P80.6Confident81.6Confident118 Ų118103.8 Ų103.877%0.76653%0.525SS*.THydrogen-bonded Turntrans-67.5-24.1178.228.3-35.1000113.1T565T565-P567 WeakPolarHBondContact O-CD 3.21Å
568H83.5Confident80.3Confident164 Ų164106.2 Ų106.276%0.75954%0.54SS*.THydrogen-bonded Turntrans-101.838.7176.4-63.8-67.6000112N566 Q570N566-H568 VanDerWaalsContact C-N 3.25Å; N566-H568 PolarHBondContact O-N 3.5Å; N566-H568 PolarHBondContact OD1-N 2.73Å; H568-Q570 PolarHBondContact O-N 2.85Å
569C84.1Confident78.6Confident32 Ų32114.1 Ų114.122%0.21658%0.577CS.*  trans-69.7122.1178.1-158.70000111.4C564 N566 F571C564-C569 VanDerWaalsContact SG-SG 3.6Å; N566-C569 HydrophobicContact CB-CB 4.42Å; N566-C569 WeakPolarHBondContact O-CB 3.4Å; N566-C569 PolarHBondContact O-N 3.16Å; C569-F571 PolarHBondContact O-N 3.21Å; C569-F571 VanDerWaalsContact O-N 3.07Å
570Q84.6Confident76.6Confident153 Ų153107.6 Ų107.672%0.71557%0.57SS**SBendtrans-78.322.7177-61.3178.8-9.300113.4P553 H568P553-Q570 HydrophobicContact CB-CB 4.36Å; P553-Q570 WeakPolarHBondContact CB-O 3.03Å; H568-Q570 PolarHBondContact O-N 2.85Å
571F85.2Confident75.1Confident99 Ų99107 Ų10743%0.43458%0.578SS.*SBendtrans-133.7144.4-175.4-62.9-67.5000110.4I556 C558 C569 H573I556-F571 HydrophobicContact CB-CD1 3.91Å; I556-F571 HydrophobicContact CB-CE1 4.33Å; I556-F571 HydrophobicContact CG2-CD1 3.64Å; I556-F571 HydrophobicContact CG2-CE1 3.86Å; I556-F571 CarbonylContact O-C 3.21Å; I556-F571 WeakPolarHBondContact O-CA 3.44Å; I556-F571 WeakPolarHBondContact O-CB 3.45Å; C558-F571 VanDerWaalsContact CA-CB 3.49Å; C558-F571 HydrophobicContact CB-CB 3.58Å; C569-F571 PolarHBondContact O-N 3.21Å; C569-F571 VanDerWaalsContact O-N 3.07Å; F571-H573 PolarHBondContact O-N 3.21Å
572Y85.8Confident73.8Confident98 Ų98108.4 Ų108.438%0.38460%0.595SS.*BIsolated β-bridgetrans-67132-174.6-179.5-104.2000112.8A554 I556 V557 C558 P574 P575A554-Y572 WeakPolarHBondContact O-CB 3.37Å; A554-Y572 WeakPolarHBondContact O-CD2 3.49Å; I556-Y572 PolarHBondContact O-N 3.14Å; V557-Y572 WeakPolarHBondContact CA-O 3.46Å; V557-Y572 HydrophobicContact CG2-CD1 4.36Å; C558-Y572 PolarHBondContact N-O 3.26Å; Y572-P574 HydrophobicContact CE1-CB 3.88Å; Y572-P575 WeakPolarHBondContact OH-CD 3.4Å
573H83.8Confident72.6Confident69 Ų69111 Ų11132%0.31961%0.608SS.*  trans-108.4118.3166.1-59.3120.9000108C558 Q561 C564 F571C558-H573 VanDerWaalsContact CB-CD2 3.4Å; C558-H573 WeakPolarHBondContact CB-CD2 3.46Å; C558-H573 WeakPolarHBondContact CB-NE2 3.46Å; C558-H573 PolarHBondContact SG-NE2 3.02Å; Q561-H573 PolarHBondContact O-CD2 3.08Å; Q561-H573 PolarHBondContact O-NE2 3.34Å; C564-H573 WeakPolarHBondContact CB-NE2 3.16Å; F571-H573 PolarHBondContact O-N 3.21Å
574P75.8Confident70.9Confident52 Ų52108.7 Ų108.734%0.33861%0.609SS.*  trans-61132.217026.1-32.2000108.6Y572 V576Y572-P574 HydrophobicContact CE1-CB 3.88Å; P574-V576 PolarHBondContact O-N 3.44Å
575P71.2Confident69Low97 Ų97113.1 Ų113.163%0.6363%0.634SS**  trans-59.8134.5-178.924.6-33.3000109.5Y572 V577Y572-P575 WeakPolarHBondContact OH-CD 3.4Å; P575-V577 PolarHBondContact O-N 3.02Å
576V65.9Low66.7Low97 Ų97117.2 Ų117.259%0.58863%0.634SS**  trans-65104.9173.7-177.50000107.3N562 P574 V578N562-V576 HydrophobicContact CB-CG2 4.43Å; P574-V576 PolarHBondContact O-N 3.44Å; V576-V578 VanDerWaalsContact C-N 3.28Å; V576-V578 HydrophobicContact CG1-CG2 4.37Å; V576-V578 PolarHBondContact O-N 3.35Å
577V63.2Low64.9Low116 Ų116119 Ų11970%0.70365%0.653SS**  trans-66.197.2167.2-175.90000106.3P575 Q579P575-V577 PolarHBondContact O-N 3.02Å; V577-Q579 HydrophobicContact CG1-CG 4.28Å; V577-Q579 PolarHBondContact O-N 3.27Å
578V57.8Low63.2Low129 Ų129119.3 Ų119.378%0.78266%0.658SS**  trans-68.287.7169.4-177.10000106.2V576 A580V576-V578 VanDerWaalsContact C-N 3.28Å; V576-V578 HydrophobicContact CG1-CG2 4.37Å; V576-V578 PolarHBondContact O-N 3.35Å; V578-A580 PolarHBondContact O-N 2.88Å
579Q52.6Low61.5Low168 Ų168116.3 Ų116.379%0.78566%0.661SS**PPolyproline II helixtrans-57.6128.4171.3-63-176.617.600107.1V577V577-Q579 HydrophobicContact CG1-CG 4.28Å; V577-Q579 PolarHBondContact O-N 3.27Å
580A46.8Very low59.7Low82 Ų82120.4 Ų120.468%0.67869%0.69SS**PPolyproline II helixtrans-54.5141.617700000109.3V578V578-A580 PolarHBondContact O-N 2.88Å
581P54.3Low58Low117 Ų117119.4 Ų119.476%0.7670%0.695SS**PPolyproline II helixtrans-57.6129.8-173.223-33.6000110.2I583P581-I583 PolarHBondContact O-N 3.27Å
582P53.1Low56.6Low116 Ų116120 Ų12075%0.75371%0.706SS**PPolyproline II helixtrans-61.4134.9178.325.7-33.6000109.5I584P582-I584 PolarHBondContact O-N 2.91Å
583I54Low54.9Low161 Ų161121.1 Ų121.183%0.82673%0.726SS**PPolyproline II helixtrans-59.5120.9-177.7-53.5174.6000108.3P581 V585P581-I583 PolarHBondContact O-N 3.27Å; I583-V585 PolarHBondContact O-N 3.07Å
584I46.3Very low53.4Low152 Ų152123.2 Ų123.278%0.77974%0.743SS**  trans-76.387.8-168.6-53.9177.8000110.6P582 R586P582-I584 PolarHBondContact O-N 2.91Å; I584-R586 HydrophobicContact CG2-CG 4.47Å; I584-R586 PolarHBondContact O-N 3.29Å
585V47.9Very low52.3Low128 Ų128128.5 Ų128.578%0.77676%0.761SS**  trans-80.8110.2161.1-172.50000107.9I583 S587I583-V585 PolarHBondContact O-N 3.07Å; V585-S587 PolarHBondContact O-N 3.37Å
586R39.5Very low51.6Low230 Ų230129.3 Ų129.387%0.86876%0.76SS**  trans-68.3120.6-178.6-75.4171.6156.1-171.9-6111.2I584I584-R586 HydrophobicContact CG2-CG 4.47Å; I584-R586 PolarHBondContact O-N 3.29Å
587S47.3Very low51.6Low121 Ų121126 Ų12685%0.84674%0.741SS**  trans-148.7135157.8-80.50000109.5V585V585-S587 PolarHBondContact O-N 3.37Å
588S44.6Very low52.1Low125 Ų125128 Ų12887%0.87474%0.743SS**  trans-114.6107.7-163.552.90000112.4
589A48.3Very low53.1Low100 Ų100126.9 Ų126.983%0.82673%0.731SS**  trans-150.2139.6163.800000111.4
590S46.7Very low54.5Low118 Ų118123.1 Ų123.183%0.82572%0.722SS**  trans-60.8129.5179.9-179.80000113.1
591T49Very low56.5Low133 Ų133119.8 Ų119.882%0.81669%0.693SS**  trans-155.6141.8158.5-73.60000110.2
592V55Low58Low111 Ų111125.2 Ų125.267%0.67370%0.698SS**  trans-84.2149.1-177.3-70.20000112.9V594V592-V594 PolarHBondContact O-N 3.16Å
593P50.8Low59.5Low122 Ų122127.4 Ų127.479%0.79269%0.693SS**  trans-74.997.1178.630.1-34.5000111.5F595P593-F595 PolarHBondContact O-N 3.33Å
594V51.5Low60.8Low113 Ų113121 Ų12169%0.68567%0.666SS**  trans-7397.2175.7-1750000109.9V592 N596V592-V594 PolarHBondContact O-N 3.16Å; V594-N596 HydrophobicContact CG1-CB 4.16Å; V594-N596 PolarHBondContact O-N 3.3Å
595F52.2Low62.5Low162 Ų162118.2 Ų118.271%0.71166%0.661SS**  trans-77.671.2178.1-142.2-84.2000110.9P593 S597P593-F595 PolarHBondContact O-N 3.33Å; F595-S597 PolarHBondContact O-N 3.2Å
596N57.6Low64.1Low114 Ų114114.7 Ų114.761%0.6165%0.65SS**  trans-74.9105.7-165.6-158.313.5000112.4V594V594-N596 HydrophobicContact CG1-CB 4.16Å; V594-N596 PolarHBondContact O-N 3.3Å
597S65.2Low66.4Low29 Ų29104.5 Ų104.520%0.20361%0.614CS.*  trans-121131.8162.586.60000109.5F595 I599 P614F595-S597 PolarHBondContact O-N 3.2Å; S597-I599 PolarHBondContact O-N 2.83Å; S597-P614 PolarHBondContact OG-O 3.49Å
598Q74.2Confident68.2Low158 Ų158105.8 Ų105.874%0.73862%0.617SS**SBendtrans-74.515.6-178.9-62.382.8-5.600113
599I78.6Confident70.1Confident104 Ų104103.4 Ų103.453%0.53359%0.594SS.*SBendtrans-101.7115-176.9-57.4175.6000108.5S597 F615 L616S597-I599 PolarHBondContact O-N 2.83Å; I599-F615 HydrophobicContact CB-CD1 3.94Å; I599-F615 HydrophobicContact CB-CE1 4.36Å; I599-F615 HydrophobicContact CG2-CD1 3.7Å; I599-F615 HydrophobicContact CG2-CE1 3.89Å; I599-F615 WeakPolarHBondContact O-CA 3.31Å; I599-F615 WeakPolarHBondContact O-CB 3.15Å; I599-L616 PolarHBondContact O-N 2.69Å
600P82.9Confident71.7Confident90 Ų90104.3 Ų104.358%0.58458%0.576SS**BIsolated β-bridgetrans-66.9142.9-17926.7-33.9000112.2R602 L616P600-R602 PolarHBondContact O-N 3.13Å; P600-L616 WeakPolarHBondContact CA-O 3.22Å
601C87.2Confident73.4Confident12 Ų12105.1 Ų105.18%0.08158%0.577CS.*  trans-65.3124179.3-177.50000110.6Y603 G604 C607 C613 F615 L616 H617C601-Y603 PolarHBondContact O-N 3.01Å; C601-G604 PolarHBondContact O-N 2.73Å; C601-C607 VanDerWaalsContact SG-SG 3.69Å; C601-C613 VanDerWaalsContact SG-SG 3.62Å; C601-F615 HydrophobicContact CB-CB 3.77Å; C601-L616 WeakPolarHBondContact CB-O 3.43Å; C601-L616 PolarHBondContact N-O 2.92Å; C601-H617 PolarHBondContact SG-NE2 3.24Å; C601-H617 VanDerWaalsContact SG-NE2 3.35Å
602R87.2Confident75.1Confident230 Ų230106.8 Ų106.887%0.86857%0.573SS**THydrogen-bonded Turntrans-56.4-22.7178.4-179.1173.7175.7-173-2.1114P600P600-R602 PolarHBondContact O-N 3.13Å
603Y83.9Confident76.4Confident163 Ų163102.7 Ų102.764%0.63955%0.549SS*.THydrogen-bonded Turntrans-95-4.8178.2-58.9-73.3000113.5C601 G606C601-Y603 PolarHBondContact O-N 3.01Å; Y603-G606 CarbonylContact O-C 3.58Å; Y603-G606 VanDerWaalsContact O-CA 3.3Å; Y603-G606 WeakPolarHBondContact O-CA 3.31Å; Y603-G606 PolarHBondContact O-N 2.88Å
604G81.4Confident77.9Confident26 Ų26100.2 Ų100.227%0.26853%0.532SS..G310 helixtrans53.1-141.1-176.100000112.6C601 G606 C607 H617C601-G604 PolarHBondContact O-N 2.73Å; G604-G606 PolarHBondContact O-N 2.98Å; G604-C607 WeakPolarHBondContact O-CB 3.21Å; G604-C607 PolarHBondContact O-N 2.85Å; G604-H617 PolarHBondContact O-CD2 3.42Å
605S81.7Confident79.4Confident94 Ų9499.1 Ų99.166%0.65752%0.519SS*.G310 helixtrans-58.7-22.1170.949.80000113.6C607S605-C607 PolarHBondContact O-N 3.05Å
606G82Confident80.8Confident54 Ų5495.3 Ų95.356%0.55751%0.505SS*.G310 helixtrans-77.911.117500000115.4Y603 G604 T608Y603-G606 CarbonylContact O-C 3.58Å; Y603-G606 VanDerWaalsContact O-CA 3.3Å; Y603-G606 WeakPolarHBondContact O-CA 3.31Å; Y603-G606 PolarHBondContact O-N 2.88Å; G604-G606 PolarHBondContact O-N 2.98Å; G606-T608 PolarHBondContact O-N 2.88Å; G606-T608 VanDerWaalsContact O-N 3.16Å
607C87.1Confident81.9Confident16 Ų1691.2 Ų91.211%0.10848%0.482CS..  trans-70.4109.3179.3-168.10000112.4C601 G604 S605 N609 R610 C613 H617C601-C607 VanDerWaalsContact SG-SG 3.69Å; G604-C607 WeakPolarHBondContact O-CB 3.21Å; G604-C607 PolarHBondContact O-N 2.85Å; S605-C607 PolarHBondContact O-N 3.05Å; C607-N609 PolarHBondContact O-N 3.06Å; C607-R610 PolarHBondContact O-N 3.49Å; C607-C613 VanDerWaalsContact SG-SG 3.68Å; C607-H617 VanDerWaalsContact CB-NE2 3.31Å; C607-H617 WeakPolarHBondContact CB-NE2 3.47Å
608T85.6Confident82.3Confident148 Ų14893 Ų9391%0.90849%0.494SS*.THydrogen-bonded Turntrans-61.4-6.5178.2550000115.2G606G606-T608 PolarHBondContact O-N 2.88Å; G606-T608 VanDerWaalsContact O-N 3.16Å
609N84.4Confident82Confident75 Ų7590 Ų9040%0.40148%0.483SS..THydrogen-bonded Turntrans-135.135.8-178.2-162.116.2000111.9C607 T611 K612 C613C607-N609 PolarHBondContact O-N 3.06Å; N609-T611 PolarHBondContact O-N 3.19Å; N609-K612 CarbonylContact O-C 3.56Å; N609-K612 PolarHBondContact O-N 2.93Å; N609-K612 WeakPolarHBondContact OD1-CB 3.45Å; N609-C613 WeakPolarHBondContact O-CB 3.32Å; N609-C613 PolarHBondContact O-N 3.33Å
610R82.7Confident81Confident119 Ų11991.8 Ų91.845%0.44949%0.493SS..THydrogen-bonded Turntrans-45.8-35.5-175.5-171175-175.4-179.33.8114.1C607 H617 D619C607-R610 PolarHBondContact O-N 3.49Å; R610-H617 HydrophobicContact CG-CB 4.49Å; R610-D619 IonicContact CZ-OD1 3.13Å; R610-D619 IonicContact CZ-OD2 2.83Å; R610-D619 IonicContact NH1-OD1 3.24Å; R610-D619 PolarHBondContact NH1-OD1 3.43Å; R610-D619 VanDerWaalsContact NH1-OD1 3.13Å; R610-D619 IonicContact NH1-OD2 2.69Å; R610-D619 PolarHBondContact NH1-OD2 3.34Å; R610-D619 IonicContact NH2-OD1 3.39Å; R610-D619 PolarHBondContact NH2-OD1 3.35Å; R610-D619 IonicContact NH2-OD2 3.4Å; R610-D619 PolarHBondContact NH2-OD2 2.92Å
611T81.3Confident80Confident135 Ų13590.7 Ų90.783%0.82849%0.487SS*.THydrogen-bonded Turntrans-80.6-10-178.753.90000115.7N609N609-T611 PolarHBondContact O-N 3.19Å
612K83.7Confident78.7Confident168 Ų16893.3 Ų93.373%0.7351%0.505SS*.THydrogen-bonded Turntrans-130.89.3176-48.7-179.1-179.4-177.40113.1N609N609-K612 CarbonylContact O-C 3.56Å; N609-K612 PolarHBondContact O-N 2.93Å; N609-K612 WeakPolarHBondContact OD1-CB 3.45Å
613C82.9Confident77.6Confident25 Ų2588.3 Ų88.317%0.16950%0.5CS..  trans-88.5121.9-177.1176.70000109.5C601 C607 N609 F615 H617C601-C613 VanDerWaalsContact SG-SG 3.62Å; C607-C613 VanDerWaalsContact SG-SG 3.68Å; N609-C613 WeakPolarHBondContact O-CB 3.32Å; N609-C613 PolarHBondContact O-N 3.33Å; C613-F615 PolarHBondContact O-N 3.39Å; C613-H617 VanDerWaalsContact SG-CE1 3.5Å
614P83.7Confident76.7Confident69 Ų6987.6 Ų87.645%0.44851%0.507SS..  trans-80.920.1-171.235.2-38.7000114.2S597S597-P614 PolarHBondContact OG-O 3.49Å
615F82.3Confident75.8Confident91 Ų9193.3 Ų93.340%0.39953%0.527SS..SBendtrans-121.1151.7-174.2-62.2-70.9000110.4I599 C601 C613 H617I599-F615 HydrophobicContact CB-CD1 3.94Å; I599-F615 HydrophobicContact CB-CE1 4.36Å; I599-F615 HydrophobicContact CG2-CD1 3.7Å; I599-F615 HydrophobicContact CG2-CE1 3.89Å; I599-F615 WeakPolarHBondContact O-CA 3.31Å; I599-F615 WeakPolarHBondContact O-CB 3.15Å; C601-F615 HydrophobicContact CB-CB 3.77Å; C613-F615 PolarHBondContact O-N 3.39Å; F615-H617 PolarHBondContact O-CE1 2.94Å; F615-H617 PolarHBondContact O-ND1 3.26Å
616L81.6Confident75Confident82 Ų8294.1 Ų94.143%0.42952%0.523SS..BIsolated β-bridgetrans-69.6132.6-177-177.864000111.9I599 P600 C601I599-L616 PolarHBondContact O-N 2.69Å; P600-L616 WeakPolarHBondContact CA-O 3.22Å; C601-L616 WeakPolarHBondContact CB-O 3.43Å; C601-L616 PolarHBondContact N-O 2.92Å
617H80.2Confident74.6Confident27 Ų2799.4 Ų99.413%0.12553%0.531CS..  trans-110.185.5176.7-57.878.2000109.6C601 G604 C607 R610 C613 F615 D619C601-H617 PolarHBondContact SG-NE2 3.24Å; C601-H617 VanDerWaalsContact SG-NE2 3.35Å; G604-H617 PolarHBondContact O-CD2 3.42Å; C607-H617 VanDerWaalsContact CB-NE2 3.31Å; C607-H617 WeakPolarHBondContact CB-NE2 3.47Å; R610-H617 HydrophobicContact CG-CB 4.49Å; C613-H617 VanDerWaalsContact SG-CE1 3.5Å; F615-H617 PolarHBondContact O-CE1 2.94Å; F615-H617 PolarHBondContact O-ND1 3.26Å; H617-D619 PolarHBondContact O-N 2.98Å
618S73.5Confident73.2Confident66 Ų66109.6 Ų109.646%0.46257%0.567SS.*  trans-70111.4167.5-51.30000108.8L620S618-L620 PolarHBondContact O-N 2.87Å
619D67.2Low72.7Confident95 Ų95108.3 Ų108.351%0.50855%0.553SS.*  trans-7481.4169.9-71.5-28.6000108.4R610 H617R610-D619 IonicContact CZ-OD1 3.13Å; R610-D619 IonicContact CZ-OD2 2.83Å; R610-D619 IonicContact NH1-OD1 3.24Å; R610-D619 PolarHBondContact NH1-OD1 3.43Å; R610-D619 VanDerWaalsContact NH1-OD1 3.13Å; R610-D619 IonicContact NH1-OD2 2.69Å; R610-D619 PolarHBondContact NH1-OD2 3.34Å; R610-D619 IonicContact NH2-OD1 3.39Å; R610-D619 PolarHBondContact NH2-OD1 3.35Å; R610-D619 IonicContact NH2-OD2 3.4Å; R610-D619 PolarHBondContact NH2-OD2 2.92Å; H617-D619 PolarHBondContact O-N 2.98Å
620L58.3Low72Confident142 Ų142108.1 Ų108.174%0.74356%0.562SS**PPolyproline II helixtrans-59.7139.6171.4-68.1171.5000109.3S618S618-L620 PolarHBondContact O-N 2.87Å
621P62.1Low71.2Confident68 Ų68108.3 Ų108.344%0.44258%0.579SS.*PPolyproline II helixtrans-57.3153177.818.1-26.9000111.9Q625 L626P621-Q625 HydrophobicContact CB-CB 4.3Å; P621-L626 HydrophobicContact CB-CD1 4.47Å; P621-L626 HydrophobicContact CG-CD1 4.08Å; P621-L626 VanDerWaalsContact O-CD1 3.31Å; P621-L626 WeakPolarHBondContact O-CD1 3.49Å
622S59Low70.5Confident67 Ų67107.2 Ų107.247%0.46958%0.577SS.*PPolyproline II helixtrans-54.9149.4-177-169.90000111.2D624 Q625S622-D624 PolarHBondContact O-N 3.35Å; S622-D624 PolarHBondContact OG-OD2 3.05Å; S622-D624 VanDerWaalsContact OG-OD2 3.14Å; S622-Q625 WeakPolarHBondContact O-CB 3.49Å; S622-Q625 PolarHBondContact O-N 2.94Å
623V64.8Low69Low125 Ų125108.8 Ų108.876%0.75858%0.584SS**G310 helixtrans-53.7-33.1-179.2-177.50000111.7Q625 L626V623-Q625 PolarHBondContact O-N 3.05Å; V623-L626 PolarHBondContact O-N 2.88Å
624D65.9Low67.5Low147 Ų147117.3 Ų117.379%0.78662%0.618SS**G310 helixtrans-63-18.1176.7-48.6-64.4000114.3S622S622-D624 PolarHBondContact O-N 3.35Å; S622-D624 PolarHBondContact OG-OD2 3.05Å; S622-D624 VanDerWaalsContact OG-OD2 3.14Å
625Q61.8Low66.1Low147 Ų147122.9 Ų122.969%0.68764%0.638SS**G310 helixtrans-92.5-15.6175.7-63.3-178.2-12.100112.8P621 S622 V623 K627P621-Q625 HydrophobicContact CB-CB 4.3Å; S622-Q625 WeakPolarHBondContact O-CB 3.49Å; S622-Q625 PolarHBondContact O-N 2.94Å; V623-Q625 PolarHBondContact O-N 3.05Å; Q625-K627 PolarHBondContact O-N 2.85Å
626L63.9Low64.5Low110 Ų110127.8 Ų127.858%0.57666%0.662SS**  trans-97.456.3177.8-69.5104.3000112.4P621 V623 W628P621-L626 HydrophobicContact CB-CD1 4.47Å; P621-L626 HydrophobicContact CG-CD1 4.08Å; P621-L626 VanDerWaalsContact O-CD1 3.31Å; P621-L626 WeakPolarHBondContact O-CD1 3.49Å; V623-L626 PolarHBondContact O-N 2.88Å; L626-W628 PolarHBondContact O-N 3.3Å; L626-W628 VanDerWaalsContact O-N 3.12Å
627K73.7Confident62.8Low166 Ų166128.7 Ų128.772%0.72268%0.675SS**  trans-72.3101.4168.9-175.3-172.4177.1-175.10110.1Q625 I629Q625-K627 PolarHBondContact O-N 2.85Å; K627-I629 HydrophobicContact CD-CD1 4.35Å; K627-I629 HydrophobicContact CD-CG1 4.18Å; K627-I629 HydrophobicContact CG-CG1 4.21Å; K627-I629 PolarHBondContact O-N 3.36Å
628W58.2Low61.4Low230 Ų230132.4 Ų132.487%0.87170%0.704SS**  trans-60.6128.4163.7-106.489.5000110.1L626L626-W628 PolarHBondContact O-N 3.3Å; L626-W628 VanDerWaalsContact O-N 3.12Å
629I76.3Confident60Low120 Ų120136.8 Ų136.862%0.61572%0.722SS**  trans-117.7116.4169.7-58.9178.2000105.9K627K627-I629 HydrophobicContact CD-CD1 4.35Å; K627-I629 HydrophobicContact CD-CG1 4.18Å; K627-I629 HydrophobicContact CG-CG1 4.21Å; K627-I629 PolarHBondContact O-N 3.36Å
630A67.9Low59.1Low72 Ų72138.1 Ų138.160%0.59574%0.736SS**  trans-69138.2176.400000109.9S632A630-S632 PolarHBondContact O-N 3.18Å
631P67.8Low58.6Low123 Ų123139.6 Ų139.680%0.79974%0.743SS**  trans-70.198.3174.428.4-33.3000109.8K633P631-K633 PolarHBondContact O-N 2.89Å
632S64.8Low57.6Low111 Ų111141.7 Ų141.778%0.77676%0.759SS**  trans-60.8134.7171.3-64.90000110.4A630 K634A630-S632 PolarHBondContact O-N 3.18Å; S632-K634 PolarHBondContact O-N 3.38Å
633K53.4Low56.9Low202 Ų202145 Ų14588%0.87878%0.777SS**  trans-54.2123.1175.7-66-172.2175.4-171.70109.9P631 Q635P631-K633 PolarHBondContact O-N 2.89Å; K633-Q635 PolarHBondContact O-N 3.47Å
634K50.6Low55.8Low203 Ų203148.6 Ų148.688%0.88378%0.782SS**  trans-66.6111.6163.3-77.8-176.3175.9179.30107.8S632S632-K634 PolarHBondContact O-N 3.38Å
635Q53.9Low54.8Low187 Ų187146 Ų14687%0.87478%0.782SS**  trans-73.1124.3163.2-69.8180-73.500108.1K633K633-Q635 PolarHBondContact O-N 3.47Å
636Q49.4Very low53.9Low193 Ų193145.9 Ų145.990%0.90279%0.786SS**  trans-85120.7168.1-70.7174.9-19.200108.3
637S46.6Very low53Low102 Ų102145 Ų14571%0.71379%0.789SS**  trans-157.694.8166.461.20000111.3
638S50.4Low51.6Low104 Ų104143 Ų14373%0.72779%0.79SS**  trans24.9107.8149.1580000120.2
639N44.2Very low51.3Low158 Ų158140.4 Ų140.485%0.84579%0.788SS**  61.4140128.3-57.1-8.6000121.7
640P48.1Very low50Low124 Ų124143.7 Ų143.781%0.80580%0.798SS**  trans-100.8168.5-176.240.5-36.8000114.7
641I47.8Very low49Very low173 Ų173144.6 Ų144.689%0.88781%0.805SS**  trans-143.9156157.8-133.5168.2000110.8
642S41.9Very low48.3Very low111 Ų111144.8 Ų144.878%0.77680%0.804SS**  trans-111.7142.9-169.7-57.30000114.3
643T42.9Very low47.7Very low138 Ų138148 Ų14885%0.84780%0.804SS**  trans-157.5105149.717.10000114.9
644K42.1Very low47.7Very low199 Ų199143.4 Ų143.487%0.86580%0.798SS**  trans19.4142.3138.3-59.1178.8178.5177.80123.2
645A45Very low47.8Very low94 Ų94139.4 Ų139.478%0.77779%0.79SS**  trans76.4157.3143.900000118.4
646N43.6Very low47.5Very low144 Ų144136 Ų13677%0.7778%0.782SS**  cis-152.9170.61.8-147.12000113.8
647S45.4Very low47.8Very low91 Ų91133.1 Ų133.164%0.63678%0.778SS**  trans70.8125.1160.8-56.20000118.8
648T44.1Very low48Very low123 Ų123135.5 Ų135.576%0.75578%0.782SS**  cis92.19620.875.50000118
649E52Low48.1Very low177 Ų177138.4 Ų138.483%0.82779%0.789SS**  trans-166.5158.1146.7-86.8-148.2114.300108.4
650K48.3Very low48.6Very low188 Ų188144 Ų14482%0.81781%0.81SS**  cis173.696.4-31.1-126.7-175.3-175.8172.70107.5
651A47Very low48.6Very low91 Ų91145.1 Ų145.175%0.75281%0.811SS**  trans-168.6112.5159.800000108.2
652V52.1Low48.7Very low128 Ų128143.6 Ų143.678%0.77681%0.807SS**  69.7118.372.2172.70000112.1
653K53.9Low49.1Very low177 Ų177145.4 Ų145.477%0.7781%0.808SS**  cis-165.6146.2-6.2-110.1178.1-167.8175.60108.9
654S51.6Low49.4Very low107 Ų107145.8 Ų145.875%0.74881%0.806SS**  trans54.2153.7140.3-54.80000120.8
655V54.4Low49.9Very low118 Ų118142.5 Ų142.572%0.71580%0.802SS**  cis-160.1127.8-7.91220000104.9
656T46.7Very low50.2Low115 Ų115145.7 Ų145.771%0.70680%0.804SS**  72.991.274.4-46.80000116.2
657T56.4Low50.7Low133 Ų133145.9 Ų145.982%0.81681%0.806SS**  trans-169.9115.4144.631.20000105.6
658L51.1Low51.1Low153 Ų153150.1 Ų150.180%0.80182%0.82SS**  56.7103.464-71.5176.3000114.4
659N52.5Low51.7Low164 Ų164152.3 Ų152.388%0.87783%0.825SS**  -164.8136124.3-93.6-4.4000108.4
660E54.1Low51.6Low277 Ų277150.1 Ų150.1100%1.29483%0.825SS**  trans33.60178.5-88.7163.583.600118.9

Retrieved 660 of 660 residues in 172.2 ms (Link to these results)

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