C0SJM6_MACFA Loading...

Maleylacetoacetate isomerase

AlphaFold DB , UniProt , Accession C0SJM6, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene GSTZ1, Length 217 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.3Very low79.1Confident241 Ų24182.4 Ų82.4100%1.18746%0.461SS*.  098.50-68.8-177-77.100106E3M1-E3 PolarHBondContact O-N 3.29Å
2T42.5Very low80.7Confident140 Ų14077.2 Ų77.286%0.85943%0.429SS*.  trans-64.8120.7176.240.80000107.4S4T2-S4 PolarHBondContact O-N 2.92Å
3E48.3Very low82.1Confident192 Ų19272.1 Ų72.190%0.89740%0.4SS*.  trans-48.9109.2168.7-76.6179.414600107.6M1 G5M1-E3 PolarHBondContact O-N 3.29Å; E3-G5 PolarHBondContact O-N 3.04Å
4S66.2Low83.2Confident82 Ų8275.2 Ų75.257%0.57340%0.402SS*.  trans-67.7109170.955.90000105.8T2T2-S4 PolarHBondContact O-N 2.92Å
5G83.4Confident84.3Confident65 Ų6571.2 Ų71.267%0.6738%0.383SS*.PPolyproline II helixtrans-53.5164.7175.500000112E3E3-G5 PolarHBondContact O-N 3.04Å
6K94.8Very high85.2Confident83 Ų8367.1 Ų67.136%0.36136%0.361SS..PPolyproline II helixtrans-49.4138179.3-173.1166.51651720111.1D31 Y32 E33K6-D31 WeakPolarHBondContact CE-OD1 3.33Å; K6-D31 WeakPolarHBondContact CE-OD2 3.07Å; K6-D31 IonicContact NZ-OD1 3.18Å; K6-D31 PolarHBondContact NZ-OD1 3.01Å; K6-D31 IonicContact NZ-OD2 2.67Å; K6-D31 PolarHBondContact NZ-OD2 3.04Å; K6-Y32 VanDerWaalsContact CE-CA 3.41Å; K6-Y32 VanDerWaalsContact CE-O 3.31Å; K6-Y32 WeakPolarHBondContact CE-O 3.18Å; K6-E33 HydrophobicContact CB-CG 4.47Å; K6-E33 HydrophobicContact CD-CG 3.84Å; K6-E33 HydrophobicContact CG-CG 4.15Å
7P98.5Very high86Confident24 Ų2463.9 Ų63.916%0.15635%0.345CS..PPolyproline II helixtrans-53.1141.7177.5-26.734000112I30 D31 Y32 E33 L63 K64 I65P7-I30 HydrophobicContact CG-CG2 3.97Å; P7-D31 WeakPolarHBondContact CD-O 3.43Å; P7-Y32 CarbonylContact O-C 3.56Å; P7-Y32 WeakPolarHBondContact O-CA 3.37Å; P7-Y32 WeakPolarHBondContact O-CB 3.39Å; P7-E33 PolarHBondContact O-N 3.42Å; P7-L63 HydrophobicContact CB-CD1 4.31Å; P7-K64 CarbonylContact C-O 3.58Å; P7-K64 VanDerWaalsContact CA-O 3.23Å; P7-K64 WeakPolarHBondContact CA-O 3.33Å; P7-I65 HydrophobicContact CB-CB 4.29Å; P7-I65 HydrophobicContact CB-CD1 4.2Å; P7-I65 HydrophobicContact CB-CG1 4.23Å; P7-I65 HydrophobicContact CG-CD1 3.9Å; P7-I65 HydrophobicContact CG-CG1 3.97Å
8I98.8Very high86.7Confident44 Ų4460.3 Ų60.323%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-117.3115.8-179-56.3171.1000109.3Y10 E33 V35 L63 K64I8-Y10 HydrophobicContact CG2-CD2 4.3Å; I8-Y10 HydrophobicContact CG2-CE2 3.89Å; I8-E33 CarbonylContact C-O 3.54Å; I8-E33 WeakPolarHBondContact CA-O 3.2Å; I8-V35 HydrophobicContact CG2-CB 4.29Å; I8-V35 HydrophobicContact CG2-CG2 3.51Å; I8-L63 WeakPolarHBondContact O-CA 3.45Å; I8-K64 HydrophobicContact CB-CB 4.22Å; I8-K64 PolarHBondContact N-O 3.27Å; I8-K64 PolarHBondContact O-N 3.47Å
9L98.9Very high87.3Confident0 Ų057.5 Ų57.50%031%0.31CS..EExtended strand (participates in β ladder)trans-97.4114.5174.4-178.265.2000110.3S11 V21 R22 L25 Y32 E33 T34 V35 P61 L63L9-S11 PolarHBondContact O-N 2.92Å; L9-V21 HydrophobicContact CD1-CB 4.31Å; L9-V21 HydrophobicContact CD1-CG1 3.71Å; L9-V21 HydrophobicContact CD2-CG1 4.33Å; L9-R22 HydrophobicContact CD2-CG 3.6Å; L9-L25 HydrophobicContact CD2-CD1 4.1Å; L9-Y32 HydrophobicContact CB-CD2 3.64Å; L9-Y32 HydrophobicContact CB-CE2 3.87Å; L9-Y32 HydrophobicContact CD2-CD2 4.28Å; L9-Y32 HydrophobicContact CD2-CE2 3.69Å; L9-Y32 HydrophobicContact CG-CE2 4.42Å; L9-E33 PolarHBondContact N-O 3Å; L9-T34 WeakPolarHBondContact O-CA 3.04Å; L9-V35 PolarHBondContact O-N 3.31Å; L9-P61 HydrophobicContact CD1-CB 3.75Å; L9-L63 HydrophobicContact CB-CD1 4.23Å; L9-L63 HydrophobicContact CD1-CD1 4.33Å
10Y98.8Very high87.9Confident34 Ų3454.8 Ų54.813%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-79.9113.9166.9-63-97.8000108.7I8 V35 I37 F51 L54 P61 A62 K64I8-Y10 HydrophobicContact CG2-CD2 4.3Å; I8-Y10 HydrophobicContact CG2-CE2 3.89Å; Y10-V35 WeakPolarHBondContact CA-O 3.3Å; Y10-V35 HydrophobicContact CD1-CB 3.79Å; Y10-V35 HydrophobicContact CD1-CG1 3.69Å; Y10-V35 HydrophobicContact CE1-CB 3.96Å; Y10-V35 HydrophobicContact CE1-CG1 3.73Å; Y10-V35 HydrophobicContact CE1-CG2 4.35Å; Y10-V35 HydrophobicContact CG-CB 4.37Å; Y10-I37 HydrophobicContact CD1-CD1 4.13Å; Y10-I37 HydrophobicContact CD1-CG1 4.25Å; Y10-F51 HydrophobicContact CD1-CD2 4.4Å; Y10-F51 HydrophobicContact CD1-CE2 4.14Å; Y10-F51 HydrophobicContact CG-CE2 4.23Å; Y10-L54 HydrophobicContact CD1-CD2 3.65Å; Y10-L54 HydrophobicContact CD2-CD2 3.51Å; Y10-L54 HydrophobicContact CE1-CD2 3.64Å; Y10-L54 HydrophobicContact CE2-CD1 4.17Å; Y10-L54 HydrophobicContact CE2-CD2 3.51Å; Y10-L54 HydrophobicContact CE2-CG 4.49Å; Y10-L54 HydrophobicContact CG-CD2 3.57Å; Y10-P61 WeakPolarHBondContact O-CA 3.48Å; Y10-A62 HydrophobicContact CD2-CB 4.33Å; Y10-A62 PolarHBondContact N-O 3.39Å; Y10-A62 PolarHBondContact O-N 3.35Å; Y10-K64 HydrophobicContact CE2-CD 3.98Å; Y10-K64 HydrophobicContact CE2-CG 4.13Å; Y10-K64 PolarHBondContact OH-NZ 3.14Å
11S98.8Very high88.4Confident1 Ų152.1 Ų52.11%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-135.5161.3-163.4-153.70000112L9 S18 R22 V35 P36 I37L9-S11 PolarHBondContact O-N 2.92Å; S11-S18 VanDerWaalsContact OG-CB 3.31Å; S11-S18 WeakPolarHBondContact OG-CB 3.38Å; S11-R22 PolarHBondContact OG-NH1 3.01Å; S11-V35 PolarHBondContact N-O 2.89Å; S11-P36 CarbonylContact O-C 3.35Å; S11-P36 WeakPolarHBondContact O-CA 3.39Å; S11-I37 PolarHBondContact O-N 3.17Å
12Y98.7Very high91.2Very high20 Ų2040.7 Ų40.78%0.07822%0.224CC..  trans-130.3133.4161.8179.7-123.8000108.5R14 S15 R22 I37 L39 I40 D210Y12-R14 HydrophobicContact CD1-CB 4.16Å; Y12-R14 HydrophobicContact CE1-CB 3.74Å; Y12-R14 PolarHBondContact O-N 2.67Å; Y12-R14 VanDerWaalsContact O-N 3.08Å; Y12-S15 WeakPolarHBondContact O-CB 3.2Å; Y12-S15 PolarHBondContact O-N 2.9Å; Y12-R22 PolarHBondContact O-NH1 2.97Å; Y12-I37 WeakPolarHBondContact CB-O 3.43Å; Y12-I37 WeakPolarHBondContact CD2-O 3.24Å; Y12-L39 HydrophobicContact CD1-CB 4.12Å; Y12-L39 HydrophobicContact CD1-CD1 3.5Å; Y12-L39 VanDerWaalsContact CD1-CD1 3.5Å; Y12-L39 HydrophobicContact CD1-CG 3.68Å; Y12-L39 HydrophobicContact CD2-CG 4.33Å; Y12-L39 HydrophobicContact CE1-CB 4.21Å; Y12-L39 HydrophobicContact CE1-CD1 4.25Å; Y12-L39 HydrophobicContact CE1-CG 4.28Å; Y12-L39 HydrophobicContact CG-CB 4.4Å; Y12-L39 HydrophobicContact CG-CD1 3.9Å; Y12-L39 HydrophobicContact CG-CG 3.7Å; Y12-I40 WeakPolarHBondContact OH-CD1 3.23Å; Y12-D210 WeakPolarHBondContact CD2-OD2 3.37Å
13F98.5Very high93.9Very high11 Ų1134 Ų345%0.04818%0.183CC..THydrogen-bonded Turntrans-51-43.7-171.678-80.6000112.3R22 P205 Q208 D210 T211 P212 L215F13-R22 PolarHBondContact O-NH2 3.36Å; F13-P205 HydrophobicContact CD2-CB 4.25Å; F13-P205 WeakPolarHBondContact CD2-O 3.47Å; F13-P205 VanDerWaalsContact O-CB 3.3Å; F13-P205 WeakPolarHBondContact O-CB 3.46Å; F13-Q208 HydrophobicContact CB-CB 3.73Å; F13-Q208 HydrophobicContact CB-CG 4.01Å; F13-D210 WeakPolarHBondContact CB-OD1 3.22Å; F13-D210 PolarHBondContact N-OD1 3.17Å; F13-D210 PolarHBondContact N-OD2 3.2Å; F13-T211 HydrophobicContact CD2-CG2 4.38Å; F13-P212 HydrophobicContact CE1-CG 4.08Å; F13-P212 HydrophobicContact CZ-CG 3.87Å; F13-L215 HydrophobicContact CE2-CD1 3.89Å; F13-L215 HydrophobicContact CZ-CD1 4.05Å
14R97.8Very high96.3Very high116 Ų11624.9 Ų24.944%0.43814%0.141SC..THydrogen-bonded Turntrans-92.93.6-175.1-143176.8-179.1-176.20.6114.4Y12 S16Y12-R14 HydrophobicContact CD1-CB 4.16Å; Y12-R14 HydrophobicContact CE1-CB 3.74Å; Y12-R14 PolarHBondContact O-N 2.67Å; Y12-R14 VanDerWaalsContact O-N 3.08Å; R14-S16 PolarHBondContact O-N 3.02Å
15S98.7Very high97.8Very high15 Ų1521 Ų2111%0.10511%0.113CC..  trans-78.4119.3175.8170.70000110.5Y12 C17 S18 W19Y12-S15 WeakPolarHBondContact O-CB 3.2Å; Y12-S15 PolarHBondContact O-N 2.9Å; S15-C17 VanDerWaalsContact C-N 3.34Å; S15-C17 PolarHBondContact O-N 2.75Å; S15-S18 WeakPolarHBondContact CB-OG 2.95Å; S15-S18 PolarHBondContact O-N 3.05Å; S15-S18 PolarHBondContact OG-N 2.67Å; S15-S18 PolarHBondContact OG-OG 3.43Å; S15-W19 PolarHBondContact O-N 2.88Å
16S98.8Very high98.6Very high5 Ų519.5 Ų19.54%0.03510%0.095CC..Hα-helixtrans-62.1-41.6177.459.80000111.8R14 S18 W19 R20 P169 N173R14-S16 PolarHBondContact O-N 3.02Å; S16-S18 VanDerWaalsContact C-N 3.29Å; S16-S18 PolarHBondContact O-N 2.71Å; S16-W19 PolarHBondContact O-N 3.15Å; S16-R20 WeakPolarHBondContact O-CG 3.49Å; S16-R20 PolarHBondContact O-N 2.9Å; S16-P169 WeakPolarHBondContact CB-O 3.35Å; S16-P169 WeakPolarHBondContact O-CB 3.18Å; S16-N173 VanDerWaalsContact CB-ND2 3.29Å; S16-N173 WeakPolarHBondContact CB-ND2 3.42Å; S16-N173 PolarHBondContact OG-ND2 2.7Å
17C98.8Very high98.8Very high13 Ų1317.4 Ų17.49%0.0889%0.088CC..Hα-helixtrans-62.1-37176.4-59.50000112.5S15 R20 Q112S15-C17 VanDerWaalsContact C-N 3.34Å; S15-C17 PolarHBondContact O-N 2.75Å; C17-R20 PolarHBondContact SG-NH1 2.83Å; C17-Q112 PolarHBondContact SG-NE2 2.75Å
18S98.9Very high98.8Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-69.1-40.5176.4-62.40000111.5S11 S15 S16 R20 V21 R22 V60S11-S18 VanDerWaalsContact OG-CB 3.31Å; S11-S18 WeakPolarHBondContact OG-CB 3.38Å; S15-S18 WeakPolarHBondContact CB-OG 2.95Å; S15-S18 PolarHBondContact O-N 3.05Å; S15-S18 PolarHBondContact OG-N 2.67Å; S15-S18 PolarHBondContact OG-OG 3.43Å; S16-S18 VanDerWaalsContact C-N 3.29Å; S16-S18 PolarHBondContact O-N 2.71Å; S18-R20 VanDerWaalsContact C-N 3.3Å; S18-R20 PolarHBondContact O-N 3.46Å; S18-V21 PolarHBondContact O-N 3.17Å; S18-V21 VanDerWaalsContact O-N 3.16Å; S18-R22 WeakPolarHBondContact O-CG 3.47Å; S18-R22 PolarHBondContact O-N 2.72Å; S18-V60 WeakPolarHBondContact OG-CG2 3.46Å
19W98.9Very high98.7Very high7 Ų718.2 Ų18.23%0.02711%0.106CC..Hα-helixtrans-60.6-38.4178-167.15.2000112.3S15 S16 V21 R22 I23 V168 P169 A172 T203 H204 P205S15-W19 PolarHBondContact O-N 2.88Å; S16-W19 PolarHBondContact O-N 3.15Å; W19-V21 VanDerWaalsContact C-N 3.29Å; W19-V21 PolarHBondContact O-N 3.3Å; W19-R22 PolarHBondContact O-N 2.65Å; W19-R22 VanDerWaalsContact O-N 3.15Å; W19-I23 HydrophobicContact CG-CD1 4.15Å; W19-I23 WeakPolarHBondContact O-CD1 3.1Å; W19-I23 VanDerWaalsContact O-CG1 3.31Å; W19-I23 WeakPolarHBondContact O-CG1 3.2Å; W19-I23 PolarHBondContact O-N 3.16Å; W19-V168 HydrophobicContact CH2-CG1 3.76Å; W19-V168 HydrophobicContact CZ2-CG1 3.83Å; W19-V168 HydrophobicContact CZ3-CG1 4.34Å; W19-P169 HydrophobicContact CB-CB 4.1Å; W19-P169 HydrophobicContact CB-CG 3.86Å; W19-P169 HydrophobicContact CD2-CB 4.25Å; W19-P169 HydrophobicContact CD2-CG 3.92Å; W19-P169 HydrophobicContact CE3-CB 3.85Å; W19-P169 HydrophobicContact CE3-CG 4Å; W19-P169 HydrophobicContact CG-CB 4.41Å; W19-P169 HydrophobicContact CG-CG 3.91Å; W19-A172 HydrophobicContact CE3-CB 4.5Å; W19-A172 HydrophobicContact CH2-CB 4.41Å; W19-A172 HydrophobicContact CZ3-CB 3.61Å; W19-T203 PolarHBondContact NE1-O 3.06Å; W19-T203 VanDerWaalsContact NE1-O 3.14Å; W19-T203 PolarHBondContact NE1-OG1 3.48Å; W19-T203 VanDerWaalsContact NE1-OG1 3.12Å; W19-H204 AromaticContact CH2-CD2 3.53Å; W19-H204 AromaticContact CH2-NE2 3.93Å; W19-H204 HydrophobicContact CZ2-CB 4.39Å; W19-H204 AromaticContact CZ2-CD2 3.59Å; W19-P205 HydrophobicContact CD2-CG 3.94Å; W19-P205 HydrophobicContact CE3-CG 3.5Å; W19-P205 VanDerWaalsContact CE3-CG 3.5Å; W19-P205 VanDerWaalsContact CH2-CD 3.49Å; W19-P205 HydrophobicContact CH2-CG 4.17Å; W19-P205 VanDerWaalsContact CZ3-CD 3.47Å; W19-P205 HydrophobicContact CZ3-CG 3.61Å
20R98.9Very high98.7Very high2 Ų219.6 Ų19.61%0.00811%0.113CC..Hα-helixtrans-50.6-49.3173-58.9172-174160.5-3.6112S16 C17 S18 I23 A24 S73 I77 L165 P169S16-R20 WeakPolarHBondContact O-CG 3.49Å; S16-R20 PolarHBondContact O-N 2.9Å; C17-R20 PolarHBondContact SG-NH1 2.83Å; S18-R20 VanDerWaalsContact C-N 3.3Å; S18-R20 PolarHBondContact O-N 3.46Å; R20-I23 PolarHBondContact O-N 3.1Å; R20-A24 PolarHBondContact O-N 2.65Å; R20-S73 PolarHBondContact NH1-OG 3.46Å; R20-I77 HydrophobicContact CB-CD1 3.91Å; R20-L165 WeakPolarHBondContact CG-O 3.44Å; R20-P169 HydrophobicContact CG-CG 4.08Å
21V98.9Very high98.7Very high0 Ų023.2 Ų23.20%014%0.135CC..Hα-helixtrans-71.5-37.8-178.2177.80000111.3L9 S18 W19 I23 A24 L25 P61 I76 I77L9-V21 HydrophobicContact CD1-CB 4.31Å; L9-V21 HydrophobicContact CD1-CG1 3.71Å; L9-V21 HydrophobicContact CD2-CG1 4.33Å; S18-V21 PolarHBondContact O-N 3.17Å; S18-V21 VanDerWaalsContact O-N 3.16Å; W19-V21 VanDerWaalsContact C-N 3.29Å; W19-V21 PolarHBondContact O-N 3.3Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 2.9Å; V21-A24 PolarHBondContact O-N 2.87Å; V21-L25 HydrophobicContact CG1-CD1 3.86Å; V21-L25 HydrophobicContact CG1-CG 4.26Å; V21-L25 WeakPolarHBondContact O-CG 3.43Å; V21-L25 PolarHBondContact O-N 2.92Å; V21-P61 HydrophobicContact CB-CG 4.39Å; V21-P61 HydrophobicContact CG2-CB 4.33Å; V21-P61 HydrophobicContact CG2-CG 3.65Å; V21-I76 HydrophobicContact CB-CG2 4.45Å; V21-I76 HydrophobicContact CG1-CG2 3.65Å; V21-I76 HydrophobicContact CG2-CB 4.16Å; V21-I76 HydrophobicContact CG2-CD1 4.19Å; V21-I76 HydrophobicContact CG2-CG2 3.91Å; V21-I77 HydrophobicContact CG2-CG1 4.44Å
22R98.9Very high98.7Very high0 Ų025.1 Ų25.10%014%0.142CC..Hα-helixtrans-57.7-45.9173.1-65-165.8-61.1-99.56.7111.2L9 S11 Y12 F13 S18 W19 L25 A26 Y32 T203L9-R22 HydrophobicContact CD2-CG 3.6Å; S11-R22 PolarHBondContact OG-NH1 3.01Å; Y12-R22 PolarHBondContact O-NH1 2.97Å; F13-R22 PolarHBondContact O-NH2 3.36Å; S18-R22 WeakPolarHBondContact O-CG 3.47Å; S18-R22 PolarHBondContact O-N 2.72Å; W19-R22 PolarHBondContact O-N 2.65Å; W19-R22 VanDerWaalsContact O-N 3.15Å; R22-L25 PolarHBondContact O-N 3.29Å; R22-A26 WeakPolarHBondContact O-CB 3.34Å; R22-A26 PolarHBondContact O-N 2.92Å; R22-Y32 WeakPolarHBondContact CG-OH 3.39Å; R22-T203 VanDerWaalsContact C-CG2 3.4Å; R22-T203 HydrophobicContact CB-CG2 3.79Å; R22-T203 PolarHBondContact NE-O 3.18Å; R22-T203 PolarHBondContact NH2-O 2.89Å; R22-T203 WeakPolarHBondContact O-CG2 3.38Å
23I98.9Very high98.7Very high0 Ų029.2 Ų29.20%016%0.162CC..Hα-helixtrans-60.8-46.3176.9-61.6156000110.3W19 R20 V21 L25 A26 L27 L165 P169 F200 T203W19-I23 HydrophobicContact CG-CD1 4.15Å; W19-I23 WeakPolarHBondContact O-CD1 3.1Å; W19-I23 VanDerWaalsContact O-CG1 3.31Å; W19-I23 WeakPolarHBondContact O-CG1 3.2Å; W19-I23 PolarHBondContact O-N 3.16Å; R20-I23 PolarHBondContact O-N 3.1Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 2.9Å; I23-L25 PolarHBondContact O-N 3.06Å; I23-A26 PolarHBondContact O-N 3.08Å; I23-L27 HydrophobicContact CG2-CD1 3.82Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 3.14Å; I23-L165 HydrophobicContact CB-CD2 4.49Å; I23-L165 HydrophobicContact CB-CG 4.17Å; I23-L165 HydrophobicContact CG2-CD1 4.34Å; I23-L165 HydrophobicContact CG2-CD2 4.29Å; I23-L165 HydrophobicContact CG2-CG 3.72Å; I23-P169 HydrophobicContact CD1-CG 4.08Å; I23-F200 HydrophobicContact CD1-CD1 3.63Å; I23-F200 HydrophobicContact CD1-CE1 3.65Å; I23-F200 HydrophobicContact CG1-CD1 4.02Å; I23-F200 HydrophobicContact CG1-CE1 4.24Å; I23-F200 HydrophobicContact CG2-CD1 4.14Å; I23-F200 HydrophobicContact CG2-CD2 4.22Å; I23-F200 HydrophobicContact CG2-CE1 3.84Å; I23-F200 HydrophobicContact CG2-CE2 3.92Å; I23-F200 HydrophobicContact CG2-CG 4.35Å; I23-F200 HydrophobicContact CG2-CZ 3.72Å; I23-T203 VanDerWaalsContact CG1-OG1 3.28Å; I23-T203 WeakPolarHBondContact CG1-OG1 3.44Å
24A98.9Very high98.7Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-58.7-48.3177.900000112.2R20 V21 A26 L27 K28 I77 L80 L89 L165R20-A24 PolarHBondContact O-N 2.65Å; V21-A24 PolarHBondContact O-N 2.87Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 2.69Å; A24-L27 PolarHBondContact O-N 2.82Å; A24-K28 WeakPolarHBondContact O-CB 3.47Å; A24-K28 WeakPolarHBondContact O-CG 3.46Å; A24-K28 PolarHBondContact O-N 3.38Å; A24-I77 HydrophobicContact CB-CG1 3.87Å; A24-I77 HydrophobicContact CB-CG2 4.47Å; A24-L80 HydrophobicContact CB-CD1 4.04Å; A24-L89 HydrophobicContact CB-CD1 4Å; A24-L165 HydrophobicContact CB-CD2 3.64Å
25L98.9Very high98.7Very high0 Ų027.2 Ų27.20%016%0.163CC..Hα-helixtrans-59.8-43.3178-69.5164.5000111.4L9 V21 R22 I23 K28 G29 I30 Y32 L63 L80L9-L25 HydrophobicContact CD2-CD1 4.1Å; V21-L25 HydrophobicContact CG1-CD1 3.86Å; V21-L25 HydrophobicContact CG1-CG 4.26Å; V21-L25 WeakPolarHBondContact O-CG 3.43Å; V21-L25 PolarHBondContact O-N 2.92Å; R22-L25 PolarHBondContact O-N 3.29Å; I23-L25 PolarHBondContact O-N 3.06Å; L25-K28 PolarHBondContact O-N 3.4Å; L25-G29 PolarHBondContact O-N 3.42Å; L25-G29 VanDerWaalsContact O-N 3.14Å; L25-I30 HydrophobicContact CD2-CB 3.93Å; L25-I30 HydrophobicContact CD2-CD1 4.19Å; L25-I30 HydrophobicContact CD2-CG2 3.77Å; L25-I30 PolarHBondContact O-N 2.98Å; L25-Y32 HydrophobicContact CB-CD1 3.81Å; L25-Y32 HydrophobicContact CB-CE1 3.84Å; L25-Y32 HydrophobicContact CD1-CD1 3.7Å; L25-Y32 HydrophobicContact CD1-CD2 3.98Å; L25-Y32 HydrophobicContact CD1-CE1 3.91Å; L25-Y32 HydrophobicContact CD1-CE2 4.16Å; L25-Y32 HydrophobicContact CD1-CG 3.74Å; L25-Y32 HydrophobicContact CG-CD1 4.26Å; L25-L63 HydrophobicContact CD1-CD1 4.47Å; L25-L80 HydrophobicContact CD2-CD1 3.84Å; L25-L80 HydrophobicContact CD2-CD2 4.21Å; L25-L80 HydrophobicContact CG-CD1 4.14Å
26A98.9Very high98.7Very high34 Ų3428.9 Ų28.928%0.28117%0.174SC..Hα-helixtrans-63.7-46.117700000112.5R22 I23 A24 K28 G29 A199 V202 T203R22-A26 WeakPolarHBondContact O-CB 3.34Å; R22-A26 PolarHBondContact O-N 2.92Å; I23-A26 PolarHBondContact O-N 3.08Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 2.69Å; A26-K28 VanDerWaalsContact C-N 3.29Å; A26-K28 PolarHBondContact O-N 3.36Å; A26-G29 PolarHBondContact O-N 2.83Å; A26-G29 VanDerWaalsContact O-N 3.08Å; A26-A199 HydrophobicContact CB-CB 4.05Å; A26-V202 HydrophobicContact CB-CG2 4.18Å; A26-T203 HydrophobicContact CB-CG2 3.61Å
27L98.8Very high98.7Very high40 Ų4029.3 Ų29.321%0.20918%0.176CC..Hα-helixtrans-62.4-37.2177-74.3171.6000112I23 A24 G29 P87 L89 V160 L165 A199I23-L27 HydrophobicContact CG2-CD1 3.82Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 3.14Å; A24-L27 PolarHBondContact O-N 2.82Å; L27-G29 PolarHBondContact O-N 3.3Å; L27-P87 WeakPolarHBondContact O-CD 3.44Å; L27-P87 WeakPolarHBondContact O-CG 3.39Å; L27-L89 HydrophobicContact CB-CD2 4.38Å; L27-L89 HydrophobicContact CD1-CD2 3.7Å; L27-V160 HydrophobicContact CD1-CG1 4Å; L27-L165 HydrophobicContact CD1-CD1 3.85Å; L27-L165 HydrophobicContact CD1-CG 4.41Å; L27-A199 HydrophobicContact CD2-CB 3.52Å; L27-A199 HydrophobicContact CG-CB 3.75Å
28K98.6Very high98.6Very high17 Ų1731 Ų317%0.07418%0.184CC..THydrogen-bonded Turntrans-77.3-2.9176.7-64-64.6-170.3-179.40113.7A24 L25 A26 I30 E81 R84 P87A24-K28 WeakPolarHBondContact O-CB 3.47Å; A24-K28 WeakPolarHBondContact O-CG 3.46Å; A24-K28 PolarHBondContact O-N 3.38Å; L25-K28 PolarHBondContact O-N 3.4Å; A26-K28 VanDerWaalsContact C-N 3.29Å; A26-K28 PolarHBondContact O-N 3.36Å; K28-I30 HydrophobicContact CB-CD1 3.62Å; K28-I30 HydrophobicContact CB-CG1 3.74Å; K28-I30 HydrophobicContact CG-CD1 4.35Å; K28-I30 PolarHBondContact O-N 3.41Å; K28-E81 IonicContact NZ-OE2 3.85Å; K28-E81 PolarHBondContact NZ-OE2 2.94Å; K28-R84 HydrophobicContact CD-CB 4.32Å; K28-R84 VanDerWaalsContact CD-O 3.23Å; K28-R84 WeakPolarHBondContact CD-O 3.41Å; K28-R84 WeakPolarHBondContact CE-O 3.44Å; K28-R84 PolarHBondContact NZ-O 3.47Å; K28-P87 WeakPolarHBondContact CE-O 3.09Å; K28-P87 PolarHBondContact NZ-O 3.33Å
29G98.3Very high98.5Very high67 Ų6732.2 Ų32.269%0.69119%0.19SC*.THydrogen-bonded Turntrans61.527.6-175.800000113.3L25 A26 L27L25-G29 PolarHBondContact O-N 3.42Å; L25-G29 VanDerWaalsContact O-N 3.14Å; A26-G29 PolarHBondContact O-N 2.83Å; A26-G29 VanDerWaalsContact O-N 3.08Å; L27-G29 PolarHBondContact O-N 3.3Å
30I98.5Very high98.2Very high29 Ų2936.8 Ų36.815%0.14921%0.214CC..  trans-89.3112.3-178.3-62.6170.4000108.2P7 L25 K28 Y32 L80 R84P7-I30 HydrophobicContact CG-CG2 3.97Å; L25-I30 HydrophobicContact CD2-CB 3.93Å; L25-I30 HydrophobicContact CD2-CD1 4.19Å; L25-I30 HydrophobicContact CD2-CG2 3.77Å; L25-I30 PolarHBondContact O-N 2.98Å; K28-I30 HydrophobicContact CB-CD1 3.62Å; K28-I30 HydrophobicContact CB-CG1 3.74Å; K28-I30 HydrophobicContact CG-CD1 4.35Å; K28-I30 PolarHBondContact O-N 3.41Å; I30-Y32 WeakPolarHBondContact O-CD1 3.23Å; I30-L80 HydrophobicContact CD1-CD2 3.8Å; I30-R84 HydrophobicContact CD1-CB 4.48Å; I30-R84 HydrophobicContact CD1-CG 4.23Å
31D98.3Very high97.7Very high110 Ų11042.7 Ų42.759%0.58824%0.24SC*.  trans-70.3131.8170.8-169.518.9000109.9K6 P7K6-D31 WeakPolarHBondContact CE-OD1 3.33Å; K6-D31 WeakPolarHBondContact CE-OD2 3.07Å; K6-D31 IonicContact NZ-OD1 3.18Å; K6-D31 PolarHBondContact NZ-OD1 3.01Å; K6-D31 IonicContact NZ-OD2 2.67Å; K6-D31 PolarHBondContact NZ-OD2 3.04Å; P7-D31 WeakPolarHBondContact CD-O 3.43Å
32Y98.6Very high97.3Very high42 Ų4249.8 Ų49.817%0.16528%0.278CS..  trans-144.8156.7-175.271.3-82.1000112.1K6 P7 L9 R22 L25 I30 T34K6-Y32 VanDerWaalsContact CE-CA 3.41Å; K6-Y32 VanDerWaalsContact CE-O 3.31Å; K6-Y32 WeakPolarHBondContact CE-O 3.18Å; P7-Y32 CarbonylContact O-C 3.56Å; P7-Y32 WeakPolarHBondContact O-CA 3.37Å; P7-Y32 WeakPolarHBondContact O-CB 3.39Å; L9-Y32 HydrophobicContact CB-CD2 3.64Å; L9-Y32 HydrophobicContact CB-CE2 3.87Å; L9-Y32 HydrophobicContact CD2-CD2 4.28Å; L9-Y32 HydrophobicContact CD2-CE2 3.69Å; L9-Y32 HydrophobicContact CG-CE2 4.42Å; R22-Y32 WeakPolarHBondContact CG-OH 3.39Å; L25-Y32 HydrophobicContact CB-CD1 3.81Å; L25-Y32 HydrophobicContact CB-CE1 3.84Å; L25-Y32 HydrophobicContact CD1-CD1 3.7Å; L25-Y32 HydrophobicContact CD1-CD2 3.98Å; L25-Y32 HydrophobicContact CD1-CE1 3.91Å; L25-Y32 HydrophobicContact CD1-CE2 4.16Å; L25-Y32 HydrophobicContact CD1-CG 3.74Å; L25-Y32 HydrophobicContact CG-CD1 4.26Å; I30-Y32 WeakPolarHBondContact O-CD1 3.23Å; Y32-T34 VanDerWaalsContact CE2-OG1 3.31Å; Y32-T34 WeakPolarHBondContact CE2-OG1 3.33Å
33E98.4Very high96.8Very high105 Ų10551.8 Ų51.849%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-95.5140171.6-63.7-171.8173.700110.2K6 P7 I8 L9K6-E33 HydrophobicContact CB-CG 4.47Å; K6-E33 HydrophobicContact CD-CG 3.84Å; K6-E33 HydrophobicContact CG-CG 4.15Å; P7-E33 PolarHBondContact O-N 3.42Å; I8-E33 CarbonylContact C-O 3.54Å; I8-E33 WeakPolarHBondContact CA-O 3.2Å; L9-E33 PolarHBondContact N-O 3Å
34T98.6Very high96.7Very high33 Ų3352.2 Ų52.220%0.20230%0.303CS..EExtended strand (participates in β ladder)trans-99.3127.1173.4-58.30000109.9L9 Y32 P36L9-T34 WeakPolarHBondContact O-CA 3.04Å; Y32-T34 VanDerWaalsContact CE2-OG1 3.31Å; Y32-T34 WeakPolarHBondContact CE2-OG1 3.33Å; T34-P36 HydrophobicContact CG2-CG 4.48Å; T34-P36 WeakPolarHBondContact O-CD 3.39Å
35V98.5Very high96.6Very high52 Ų5256.5 Ų56.532%0.31532%0.323SS..EExtended strand (participates in β ladder)trans-104.6107.2164.8176.30000108.1I8 L9 Y10 S11 I37I8-V35 HydrophobicContact CG2-CB 4.29Å; I8-V35 HydrophobicContact CG2-CG2 3.51Å; L9-V35 PolarHBondContact O-N 3.31Å; Y10-V35 WeakPolarHBondContact CA-O 3.3Å; Y10-V35 HydrophobicContact CD1-CB 3.79Å; Y10-V35 HydrophobicContact CD1-CG1 3.69Å; Y10-V35 HydrophobicContact CE1-CB 3.96Å; Y10-V35 HydrophobicContact CE1-CG1 3.73Å; Y10-V35 HydrophobicContact CE1-CG2 4.35Å; Y10-V35 HydrophobicContact CG-CB 4.37Å; S11-V35 PolarHBondContact N-O 2.89Å; V35-I37 HydrophobicContact CG1-CD1 4.49Å
36P98.3Very high96.6Very high51 Ų5157 Ų5733%0.33133%0.325SS..EExtended strand (participates in β ladder)trans-67.3136.8179.5-23.635.6000113.1S11 T34 D210S11-P36 CarbonylContact O-C 3.35Å; S11-P36 WeakPolarHBondContact O-CA 3.39Å; T34-P36 HydrophobicContact CG2-CG 4.48Å; T34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-D210 HydrophobicContact CB-CB 3.58Å; P36-D210 HydrophobicContact CG-CB 3.82Å
37I98.4Very high96.5Very high14 Ų1460 Ų607%0.07233%0.332CS..  trans-123.799.9172.7-56.4-64.9000107.4Y10 S11 Y12 V35 L39 Q45 Q46 F51 V60Y10-I37 HydrophobicContact CD1-CD1 4.13Å; Y10-I37 HydrophobicContact CD1-CG1 4.25Å; S11-I37 PolarHBondContact O-N 3.17Å; Y12-I37 WeakPolarHBondContact CB-O 3.43Å; Y12-I37 WeakPolarHBondContact CD2-O 3.24Å; V35-I37 HydrophobicContact CG1-CD1 4.49Å; I37-L39 HydrophobicContact CG2-CD2 4.14Å; I37-L39 PolarHBondContact O-N 3.06Å; I37-Q45 HydrophobicContact CG2-CB 3.92Å; I37-Q46 HydrophobicContact CG2-CB 4.18Å; I37-F51 HydrophobicContact CB-CE2 4.47Å; I37-F51 HydrophobicContact CD1-CD2 3.56Å; I37-F51 HydrophobicContact CD1-CE2 3.89Å; I37-F51 HydrophobicContact CD1-CG 4.41Å; I37-F51 HydrophobicContact CG1-CD2 3.81Å; I37-F51 HydrophobicContact CG1-CE2 3.59Å; I37-F51 HydrophobicContact CG1-CZ 4.34Å; I37-F51 HydrophobicContact CG2-CD2 4.29Å; I37-F51 HydrophobicContact CG2-CE2 4.29Å; I37-F51 HydrophobicContact CG2-CG 4.47Å; I37-F51 HydrophobicContact CG2-CZ 4.44Å; I37-V60 HydrophobicContact CB-CG1 3.82Å; I37-V60 HydrophobicContact CG1-CG1 4.12Å; I37-V60 HydrophobicContact CG2-CG1 4.12Å
38N97.6Very high96.4Very high49 Ų4960.3 Ų60.326%0.26234%0.338SS..  trans-69.2117.5-179.8-166.6-48.4000110.5I40 K41 Q45N38-I40 PolarHBondContact OD1-N 2.9Å; N38-K41 HydrophobicContact CB-CB 4.3Å; N38-K41 WeakPolarHBondContact OD1-CB 3.41Å; N38-K41 PolarHBondContact OD1-N 3.12Å; N38-Q45 HydrophobicContact CB-CG 4.3Å; N38-Q45 PolarHBondContact O-N 2.87Å
39L96.1Very high96.3Very high25 Ų2568.3 Ų68.313%0.13137%0.373CS..SBendtrans-84.5-8.9-173.5-56.4-177.2000114.8Y12 I37 Q46 V60 L117Y12-L39 HydrophobicContact CD1-CB 4.12Å; Y12-L39 HydrophobicContact CD1-CD1 3.5Å; Y12-L39 VanDerWaalsContact CD1-CD1 3.5Å; Y12-L39 HydrophobicContact CD1-CG 3.68Å; Y12-L39 HydrophobicContact CD2-CG 4.33Å; Y12-L39 HydrophobicContact CE1-CB 4.21Å; Y12-L39 HydrophobicContact CE1-CD1 4.25Å; Y12-L39 HydrophobicContact CE1-CG 4.28Å; Y12-L39 HydrophobicContact CG-CB 4.4Å; Y12-L39 HydrophobicContact CG-CD1 3.9Å; Y12-L39 HydrophobicContact CG-CG 3.7Å; I37-L39 HydrophobicContact CG2-CD2 4.14Å; I37-L39 PolarHBondContact O-N 3.06Å; L39-Q46 HydrophobicContact CD2-CB 4.08Å; L39-Q46 HydrophobicContact CD2-CG 4.21Å; L39-Q46 PolarHBondContact O-NE2 2.97Å; L39-V60 HydrophobicContact CD1-CG2 3.81Å; L39-V60 HydrophobicContact CD2-CG2 4.02Å; L39-V60 HydrophobicContact CG-CG2 4.34Å; L39-L117 HydrophobicContact CB-CD2 4.1Å; L39-L117 WeakPolarHBondContact O-CD2 3.13Å
40I92.9Very high96.2Very high102 Ų10271.8 Ų71.852%0.52338%0.375SS..SBendtrans-117.8-48-170.1-55.4179.2000111.3Y12 N38 D42 G43Y12-I40 WeakPolarHBondContact OH-CD1 3.23Å; N38-I40 PolarHBondContact OD1-N 2.9Å; I40-D42 PolarHBondContact O-N 3.19Å; I40-G43 PolarHBondContact O-N 3.41Å
41K87.8Confident96.1Very high126 Ų12670.7 Ų70.755%0.54837%0.369SS..G310 helixtrans-58.5134-175.7-171.5-176.5174.2-178.70110.8N38 G43 G44N38-K41 HydrophobicContact CB-CB 4.3Å; N38-K41 WeakPolarHBondContact OD1-CB 3.41Å; N38-K41 PolarHBondContact OD1-N 3.12Å; K41-G43 PolarHBondContact O-N 2.69Å; K41-G43 VanDerWaalsContact O-N 3.15Å; K41-G44 WeakPolarHBondContact O-CA 3.44Å; K41-G44 PolarHBondContact O-N 3.18Å
42D90.2Very high96Very high149 Ų14968.3 Ų68.380%0.79736%0.355SS*.G310 helixtrans52.834.1176.9-51.5-38.4000114I40 G44I40-D42 PolarHBondContact O-N 3.19Å; D42-G44 VanDerWaalsContact C-N 3.26Å; D42-G44 PolarHBondContact O-N 3.26Å
43G90.1Very high95.9Very high43 Ų4370.6 Ų70.644%0.44338%0.382SS..G310 helixtrans86-12.5-178.400000114.6I40 K41 F47I40-G43 PolarHBondContact O-N 3.41Å; K41-G43 PolarHBondContact O-N 2.69Å; K41-G43 VanDerWaalsContact O-N 3.15Å; G43-F47 VanDerWaalsContact O-CD2 3.27Å; G43-F47 WeakPolarHBondContact O-CD2 3.47Å; G43-F47 WeakPolarHBondContact O-CE2 3.48Å
44G95.8Very high95.8Very high8 Ų866.9 Ų66.98%0.08237%0.365CS..  trans112.6125.7172.900000113.9K41 D42 Q46 F47K41-G44 WeakPolarHBondContact O-CA 3.44Å; K41-G44 PolarHBondContact O-N 3.18Å; D42-G44 VanDerWaalsContact C-N 3.26Å; D42-G44 PolarHBondContact O-N 3.26Å; G44-Q46 PolarHBondContact O-N 3.35Å; G44-F47 PolarHBondContact O-N 3.44Å; G44-F47 VanDerWaalsContact O-N 3.1Å
45Q97.6Very high95.8Very high90 Ų9065.5 Ų65.542%0.42136%0.357SS..G310 helixtrans-65.6-20.3179.4-69.2179.6-31.600113.3I37 N38 F47 S48I37-Q45 HydrophobicContact CG2-CB 3.92Å; N38-Q45 HydrophobicContact CB-CG 4.3Å; N38-Q45 PolarHBondContact O-N 2.87Å; Q45-F47 PolarHBondContact O-N 2.98Å; Q45-F47 VanDerWaalsContact O-N 3.15Å; Q45-S48 VanDerWaalsContact O-CB 3.31Å; Q45-S48 WeakPolarHBondContact O-CB 3.47Å; Q45-S48 PolarHBondContact O-N 3.07Å; Q45-S48 PolarHBondContact O-OG 2.87Å
46Q97.5Very high95.7Very high10 Ų1067.5 Ų67.55%0.04737%0.371CS..G310 helixtrans-62.2-16.9172.973.5-80.71800113.4I37 L39 G44 F51 K58I37-Q46 HydrophobicContact CG2-CB 4.18Å; L39-Q46 HydrophobicContact CD2-CB 4.08Å; L39-Q46 HydrophobicContact CD2-CG 4.21Å; L39-Q46 PolarHBondContact O-NE2 2.97Å; G44-Q46 PolarHBondContact O-N 3.35Å; Q46-F51 VanDerWaalsContact CA-CD1 3.47Å; Q46-F51 HydrophobicContact CB-CD1 3.88Å; Q46-F51 HydrophobicContact CB-CE1 4Å; Q46-K58 HydrophobicContact CB-CB 4.47Å; Q46-K58 WeakPolarHBondContact CB-O 3.42Å; Q46-K58 HydrophobicContact CG-CB 4.37Å; Q46-K58 WeakPolarHBondContact CG-O 3.31Å; Q46-K58 WeakPolarHBondContact O-CB 3.45Å
47F97.2Very high95.7Very high97 Ų9770.4 Ų70.443%0.42538%0.381SS..G310 helixtrans-94.3-1.7175.2-58.3-67.4000113.5G43 G44 Q45 Q52 K58G43-F47 VanDerWaalsContact O-CD2 3.27Å; G43-F47 WeakPolarHBondContact O-CD2 3.47Å; G43-F47 WeakPolarHBondContact O-CE2 3.48Å; G44-F47 PolarHBondContact O-N 3.44Å; G44-F47 VanDerWaalsContact O-N 3.1Å; Q45-F47 PolarHBondContact O-N 2.98Å; Q45-F47 VanDerWaalsContact O-N 3.15Å; F47-Q52 PolarHBondContact O-NE2 2.8Å; F47-K58 HydrophobicContact CD1-CB 4.32Å; F47-K58 HydrophobicContact CD1-CD 3.62Å; F47-K58 HydrophobicContact CE1-CB 4.29Å; F47-K58 HydrophobicContact CE1-CD 3.97Å
48S97Very high95.7Very high48 Ų4873.2 Ų73.234%0.33639%0.393SS..SBendtrans-61.7150.7172.965.60000111.5Q45 D50 F51 Q52Q45-S48 VanDerWaalsContact O-CB 3.31Å; Q45-S48 WeakPolarHBondContact O-CB 3.47Å; Q45-S48 PolarHBondContact O-N 3.07Å; Q45-S48 PolarHBondContact O-OG 2.87Å; S48-D50 PolarHBondContact O-N 3.28Å; S48-F51 PolarHBondContact O-N 3.48Å; S48-F51 WeakPolarHBondContact OG-CB 3.42Å; S48-F51 PolarHBondContact OG-N 2.88Å; S48-Q52 WeakPolarHBondContact O-CB 3.33Å; S48-Q52 VanDerWaalsContact O-CG 3.27Å; S48-Q52 WeakPolarHBondContact O-CG 3.46Å; S48-Q52 PolarHBondContact O-N 3.39Å
49K97.1Very high95.7Very high185 Ų18573.7 Ų73.780%0.80439%0.394SS*.Hα-helixtrans-57.5-41.1177.4-69.4-176179.6179.30111.4Q52 A53K49-Q52 PolarHBondContact O-N 2.91Å; K49-A53 WeakPolarHBondContact O-CB 3.02Å; K49-A53 PolarHBondContact O-N 3.16Å
50D95.5Very high95.8Very high139 Ų13973 Ų7374%0.74339%0.391SS*.Hα-helixtrans-64.3-45.3-178.8-57.7-20.8000111.7S48 A53 L54S48-D50 PolarHBondContact O-N 3.28Å; D50-A53 PolarHBondContact O-N 2.97Å; D50-L54 PolarHBondContact O-N 2.99Å
51F96.8Very high96.1Very high7 Ų768.4 Ų68.43%0.03137%0.367CS..Hα-helixtrans-72.5-33.9178.2-166.2-96.1000112.6Y10 I37 Q46 S48 A53 L54 N55 Q59 V60Y10-F51 HydrophobicContact CD1-CD2 4.4Å; Y10-F51 HydrophobicContact CD1-CE2 4.14Å; Y10-F51 HydrophobicContact CG-CE2 4.23Å; I37-F51 HydrophobicContact CB-CE2 4.47Å; I37-F51 HydrophobicContact CD1-CD2 3.56Å; I37-F51 HydrophobicContact CD1-CE2 3.89Å; I37-F51 HydrophobicContact CD1-CG 4.41Å; I37-F51 HydrophobicContact CG1-CD2 3.81Å; I37-F51 HydrophobicContact CG1-CE2 3.59Å; I37-F51 HydrophobicContact CG1-CZ 4.34Å; I37-F51 HydrophobicContact CG2-CD2 4.29Å; I37-F51 HydrophobicContact CG2-CE2 4.29Å; I37-F51 HydrophobicContact CG2-CG 4.47Å; I37-F51 HydrophobicContact CG2-CZ 4.44Å; Q46-F51 VanDerWaalsContact CA-CD1 3.47Å; Q46-F51 HydrophobicContact CB-CD1 3.88Å; Q46-F51 HydrophobicContact CB-CE1 4Å; S48-F51 PolarHBondContact O-N 3.48Å; S48-F51 WeakPolarHBondContact OG-CB 3.42Å; S48-F51 PolarHBondContact OG-N 2.88Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-A53 PolarHBondContact O-N 2.88Å; F51-L54 HydrophobicContact CD2-CD2 3.98Å; F51-L54 HydrophobicContact CE2-CD2 3.8Å; F51-L54 WeakPolarHBondContact O-CB 3.43Å; F51-L54 PolarHBondContact O-N 2.88Å; F51-L54 VanDerWaalsContact O-N 3.17Å; F51-N55 HydrophobicContact CE1-CB 4.18Å; F51-N55 HydrophobicContact CZ-CB 4.36Å; F51-N55 PolarHBondContact O-N 3Å; F51-Q59 WeakPolarHBondContact CE1-O 3.21Å; F51-Q59 VanDerWaalsContact CZ-O 3.3Å; F51-Q59 WeakPolarHBondContact CZ-O 3.41Å; F51-V60 HydrophobicContact CE1-CG1 4.5Å; F51-V60 HydrophobicContact CE2-CG1 4.29Å; F51-V60 HydrophobicContact CZ-CG1 3.71Å
52Q96.7Very high96.6Very high60 Ų6062.4 Ų62.428%0.2834%0.341SS..Hα-helixtrans-65.5-36.2175-71.4-172.537.600112.3F47 S48 K49 L54 N55 P56 K58F47-Q52 PolarHBondContact O-NE2 2.8Å; S48-Q52 WeakPolarHBondContact O-CB 3.33Å; S48-Q52 VanDerWaalsContact O-CG 3.27Å; S48-Q52 WeakPolarHBondContact O-CG 3.46Å; S48-Q52 PolarHBondContact O-N 3.39Å; K49-Q52 PolarHBondContact O-N 2.91Å; Q52-L54 VanDerWaalsContact C-N 3.27Å; Q52-N55 CarbonylContact O-C 3.59Å; Q52-N55 VanDerWaalsContact O-C 3.31Å; Q52-P56 WeakPolarHBondContact O-CA 3.48Å; Q52-K58 VanDerWaalsContact CD-NZ 3.29Å; Q52-K58 HydrophobicContact CG-CD 3.77Å; Q52-K58 HydrophobicContact CG-CG 3.95Å; Q52-K58 VanDerWaalsContact OE1-CE 3.27Å
53A95.9Very high97Very high89 Ų8955.3 Ų55.374%0.73630%0.303SS*.Hα-helixtrans-66.5-32.217300000111.9K49 D50 F51K49-A53 WeakPolarHBondContact O-CB 3.02Å; K49-A53 PolarHBondContact O-N 3.16Å; D50-A53 PolarHBondContact O-N 2.97Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-A53 PolarHBondContact O-N 2.88Å
54L95.9Very high97.4Very high27 Ų2756.8 Ų56.814%0.14130%0.298CS..Hα-helixtrans-72.4-54.5173.9-178.376.5000111.9Y10 D50 F51 Q52 A62 K64 T69 H71Y10-L54 HydrophobicContact CD1-CD2 3.65Å; Y10-L54 HydrophobicContact CD2-CD2 3.51Å; Y10-L54 HydrophobicContact CE1-CD2 3.64Å; Y10-L54 HydrophobicContact CE2-CD1 4.17Å; Y10-L54 HydrophobicContact CE2-CD2 3.51Å; Y10-L54 HydrophobicContact CE2-CG 4.49Å; Y10-L54 HydrophobicContact CG-CD2 3.57Å; D50-L54 PolarHBondContact O-N 2.99Å; F51-L54 HydrophobicContact CD2-CD2 3.98Å; F51-L54 HydrophobicContact CE2-CD2 3.8Å; F51-L54 WeakPolarHBondContact O-CB 3.43Å; F51-L54 PolarHBondContact O-N 2.88Å; F51-L54 VanDerWaalsContact O-N 3.17Å; Q52-L54 VanDerWaalsContact C-N 3.27Å; L54-A62 HydrophobicContact CD2-CB 4.15Å; L54-K64 VanDerWaalsContact CD1-CE 3.45Å; L54-T69 HydrophobicContact CD1-CG2 3.79Å; L54-T69 HydrophobicContact CG-CG2 4.41Å; L54-H71 PolarHBondContact O-CE1 3.24Å; L54-H71 PolarHBondContact O-NE2 3.05Å
55N98Very high97.6Very high4 Ų456.9 Ų56.92%0.02130%0.296CS..  trans-131.2102.7178.7-177.90.2000110F51 Q52 M57 K58 Q59F51-N55 HydrophobicContact CE1-CB 4.18Å; F51-N55 HydrophobicContact CZ-CB 4.36Å; F51-N55 PolarHBondContact O-N 3Å; Q52-N55 CarbonylContact O-C 3.59Å; Q52-N55 VanDerWaalsContact O-C 3.31Å; N55-M57 PolarHBondContact O-N 3.19Å; N55-M57 VanDerWaalsContact O-N 3.08Å; N55-M57 WeakPolarHBondContact OD1-CB 3.41Å; N55-M57 PolarHBondContact OD1-N 3.21Å; N55-M57 VanDerWaalsContact OD1-N 3.08Å; N55-K58 PolarHBondContact O-N 3.44Å; N55-Q59 PolarHBondContact ND2-O 3.38Å
56P97.4Very high97.6Very high94 Ų9455.5 Ų55.561%0.6129%0.292SS*.THydrogen-bonded Turntrans-59-24.6-179.1-27.135.8000114.4Q52 K58Q52-P56 WeakPolarHBondContact O-CA 3.48Å; P56-K58 VanDerWaalsContact O-CG 3.31Å; P56-K58 WeakPolarHBondContact O-CG 3.22Å; P56-K58 PolarHBondContact O-N 3.44Å
57M97.9Very high97.6Very high112 Ų11258.9 Ų58.955%0.55233%0.329SS*.THydrogen-bonded Turntrans-74.5-6.2175.6-76.6-62.7-62.900113.6N55 Q59N55-M57 PolarHBondContact O-N 3.19Å; N55-M57 VanDerWaalsContact O-N 3.08Å; N55-M57 WeakPolarHBondContact OD1-CB 3.41Å; N55-M57 PolarHBondContact OD1-N 3.21Å; N55-M57 VanDerWaalsContact OD1-N 3.08Å; M57-Q59 VanDerWaalsContact C-N 3.27Å; M57-Q59 WeakPolarHBondContact O-CG 3.32Å; M57-Q59 PolarHBondContact O-N 3.04Å
58K98.1Very high97.6Very high74 Ų7458 Ų5832%0.32233%0.328SS..  trans58.441174-37.5-167.4-171.1-1750111.9Q46 F47 Q52 N55 P56Q46-K58 HydrophobicContact CB-CB 4.47Å; Q46-K58 WeakPolarHBondContact CB-O 3.42Å; Q46-K58 HydrophobicContact CG-CB 4.37Å; Q46-K58 WeakPolarHBondContact CG-O 3.31Å; Q46-K58 WeakPolarHBondContact O-CB 3.45Å; F47-K58 HydrophobicContact CD1-CB 4.32Å; F47-K58 HydrophobicContact CD1-CD 3.62Å; F47-K58 HydrophobicContact CE1-CB 4.29Å; F47-K58 HydrophobicContact CE1-CD 3.97Å; Q52-K58 VanDerWaalsContact CD-NZ 3.29Å; Q52-K58 HydrophobicContact CG-CD 3.77Å; Q52-K58 HydrophobicContact CG-CG 3.95Å; Q52-K58 VanDerWaalsContact OE1-CE 3.27Å; N55-K58 PolarHBondContact O-N 3.44Å; P56-K58 VanDerWaalsContact O-CG 3.31Å; P56-K58 WeakPolarHBondContact O-CG 3.22Å; P56-K58 PolarHBondContact O-N 3.44Å
59Q98.4Very high97.6Very high59 Ų5958.6 Ų58.628%0.27633%0.33SS..  trans-131.7153.6-175.3-74.8167.3-4.800110.9F51 N55 M57F51-Q59 WeakPolarHBondContact CE1-O 3.21Å; F51-Q59 VanDerWaalsContact CZ-O 3.3Å; F51-Q59 WeakPolarHBondContact CZ-O 3.41Å; N55-Q59 PolarHBondContact ND2-O 3.38Å; M57-Q59 VanDerWaalsContact C-N 3.27Å; M57-Q59 WeakPolarHBondContact O-CG 3.32Å; M57-Q59 PolarHBondContact O-N 3.04Å
60V98.6Very high97.7Very high11 Ų1150.9 Ų50.97%0.06730%0.297CS..SBendtrans-107.3146.2166-68.50000109.6S18 I37 L39 F51S18-V60 WeakPolarHBondContact OG-CG2 3.46Å; I37-V60 HydrophobicContact CB-CG1 3.82Å; I37-V60 HydrophobicContact CG1-CG1 4.12Å; I37-V60 HydrophobicContact CG2-CG1 4.12Å; L39-V60 HydrophobicContact CD1-CG2 3.81Å; L39-V60 HydrophobicContact CD2-CG2 4.02Å; L39-V60 HydrophobicContact CG-CG2 4.34Å; F51-V60 HydrophobicContact CE1-CG1 4.5Å; F51-V60 HydrophobicContact CE2-CG1 4.29Å; F51-V60 HydrophobicContact CZ-CG1 3.71Å
61P98.8Very high97.8Very high5 Ų546.8 Ų46.83%0.03227%0.273CS..  cis-87.7160.28.933.4-33.5000114.5L9 Y10 V21 I76L9-P61 HydrophobicContact CD1-CB 3.75Å; Y10-P61 WeakPolarHBondContact O-CA 3.48Å; V21-P61 HydrophobicContact CB-CG 4.39Å; V21-P61 HydrophobicContact CG2-CB 4.33Å; V21-P61 HydrophobicContact CG2-CG 3.65Å; P61-I76 HydrophobicContact CB-CD1 4.39Å; P61-I76 HydrophobicContact CG-CD1 4.09Å
62A98.8Very high97.9Very high0 Ų051.5 Ų51.50%030%0.295CS..EExtended strand (participates in β ladder)trans-128.6139.3156.700000108.4Y10 L54 I70 H71Y10-A62 HydrophobicContact CD2-CB 4.33Å; Y10-A62 PolarHBondContact N-O 3.39Å; Y10-A62 PolarHBondContact O-N 3.35Å; L54-A62 HydrophobicContact CD2-CB 4.15Å; A62-I70 WeakPolarHBondContact CA-O 3.37Å; A62-H71 WeakPolarHBondContact CB-ND1 3.32Å
63L98.9Very high98Very high0 Ų049 Ų490%028%0.284CS..EExtended strand (participates in β ladder)trans-119.9125.7-179-178.767.8000109.8P7 I8 L9 L25 I65 T69 I70 I76 L80P7-L63 HydrophobicContact CB-CD1 4.31Å; I8-L63 WeakPolarHBondContact O-CA 3.45Å; L9-L63 HydrophobicContact CB-CD1 4.23Å; L9-L63 HydrophobicContact CD1-CD1 4.33Å; L25-L63 HydrophobicContact CD1-CD1 4.47Å; L63-I65 HydrophobicContact CD2-CB 4.15Å; L63-I65 HydrophobicContact CD2-CD1 4.38Å; L63-I65 HydrophobicContact CD2-CG2 3.76Å; L63-I65 HydrophobicContact CG-CB 4.12Å; L63-I65 HydrophobicContact CG-CG2 3.97Å; L63-T69 CarbonylContact O-C 3.52Å; L63-T69 WeakPolarHBondContact O-CA 3.23Å; L63-I70 PolarHBondContact N-O 2.89Å; L63-I70 PolarHBondContact O-N 2.87Å; L63-I76 HydrophobicContact CB-CD1 3.97Å; L63-I76 HydrophobicContact CB-CG1 4.19Å; L63-I76 HydrophobicContact CB-CG2 4.17Å; L63-I76 HydrophobicContact CD2-CG2 3.56Å; L63-I76 HydrophobicContact CG-CG2 4.5Å; L63-L80 HydrophobicContact CD2-CD2 4.25Å
64K98.7Very high98.2Very high74 Ų7446 Ų4632%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-93.8122.4162.7-70179.9174.8173.70108.9P7 I8 Y10 L54 I68 T69P7-K64 CarbonylContact C-O 3.58Å; P7-K64 VanDerWaalsContact CA-O 3.23Å; P7-K64 WeakPolarHBondContact CA-O 3.33Å; I8-K64 HydrophobicContact CB-CB 4.22Å; I8-K64 PolarHBondContact N-O 3.27Å; I8-K64 PolarHBondContact O-N 3.47Å; Y10-K64 HydrophobicContact CE2-CD 3.98Å; Y10-K64 HydrophobicContact CE2-CG 4.13Å; Y10-K64 PolarHBondContact OH-NZ 3.14Å; L54-K64 VanDerWaalsContact CD1-CE 3.45Å; K64-I68 WeakPolarHBondContact CA-O 3.4Å; K64-T69 HydrophobicContact CG-CG2 4.27Å
65I98.6Very high98.3Very high9 Ų947.1 Ų47.15%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-157146.1-179.3-172.3162.2000108.9P7 L63 G67 I68 I70 Y79 L80P7-I65 HydrophobicContact CB-CB 4.29Å; P7-I65 HydrophobicContact CB-CD1 4.2Å; P7-I65 HydrophobicContact CB-CG1 4.23Å; P7-I65 HydrophobicContact CG-CD1 3.9Å; P7-I65 HydrophobicContact CG-CG1 3.97Å; L63-I65 HydrophobicContact CD2-CB 4.15Å; L63-I65 HydrophobicContact CD2-CD1 4.38Å; L63-I65 HydrophobicContact CD2-CG2 3.76Å; L63-I65 HydrophobicContact CG-CB 4.12Å; L63-I65 HydrophobicContact CG-CG2 3.97Å; I65-G67 PolarHBondContact O-N 2.93Å; I65-I68 PolarHBondContact N-O 2.96Å; I65-I68 WeakPolarHBondContact O-CG1 3.38Å; I65-I68 PolarHBondContact O-N 2.78Å; I65-I70 HydrophobicContact CG2-CD1 4.11Å; I65-Y79 HydrophobicContact CG2-CD1 4.16Å; I65-Y79 HydrophobicContact CG2-CE1 3.73Å; I65-L80 HydrophobicContact CD1-CD2 3.81Å
66D97.5Very high98.4Very high62 Ų6247 Ų4733%0.33227%0.268SS..THydrogen-bonded Turntrans49.735175.3-56-40.4000114.7I68 Y79 R84D66-I68 VanDerWaalsContact C-N 3.29Å; D66-I68 PolarHBondContact O-N 3.48Å; D66-Y79 WeakPolarHBondContact CB-OH 2.95Å; D66-Y79 PolarHBondContact OD2-OH 3.02Å; D66-R84 IonicContact OD1-CZ 2.65Å; D66-R84 IonicContact OD1-NH1 3.71Å; D66-R84 IonicContact OD1-NH2 3.04Å; D66-R84 PolarHBondContact OD1-NH2 2.99Å; D66-R84 IonicContact OD2-CZ 3.74Å; D66-R84 IonicContact OD2-NH1 2.65Å; D66-R84 PolarHBondContact OD2-NH1 3.34Å; D66-R84 IonicContact OD2-NH2 3.42Å; D66-R84 PolarHBondContact OD2-NH2 3.18Å
67G97Very high98.4Very high81 Ų8142.5 Ų42.584%0.83524%0.239SC*.THydrogen-bonded Turntrans78.33.8179.400000115.6I65I65-G67 PolarHBondContact O-N 2.93Å
68I97.8Very high98.5Very high78 Ų7838.6 Ų38.640%0.422%0.22SC..EExtended strand (participates in β ladder)trans-118164.3177.161.5170.3000111.9K64 I65 D66 I70 Y79K64-I68 WeakPolarHBondContact CA-O 3.4Å; I65-I68 PolarHBondContact N-O 2.96Å; I65-I68 WeakPolarHBondContact O-CG1 3.38Å; I65-I68 PolarHBondContact O-N 2.78Å; D66-I68 VanDerWaalsContact C-N 3.29Å; D66-I68 PolarHBondContact O-N 3.48Å; I68-I70 HydrophobicContact CD1-CD1 3.74Å; I68-I70 HydrophobicContact CD1-CG1 3.76Å; I68-I70 HydrophobicContact CG1-CD1 4.3Å; I68-I70 HydrophobicContact CG1-CG1 4.08Å; I68-Y79 HydrophobicContact CD1-CD2 4.5Å; I68-Y79 HydrophobicContact CD1-CE2 3.83Å
69T98.3Very high98.5Very high61 Ų6137.5 Ų37.537%0.37421%0.214SC..EExtended strand (participates in β ladder)trans-116126.3169.7-560000108.9L54 L63 K64 H71L54-T69 HydrophobicContact CD1-CG2 3.79Å; L54-T69 HydrophobicContact CG-CG2 4.41Å; L63-T69 CarbonylContact O-C 3.52Å; L63-T69 WeakPolarHBondContact O-CA 3.23Å; K64-T69 HydrophobicContact CG-CG2 4.27Å; T69-H71 VanDerWaalsContact CG2-CE1 3.48Å; T69-H71 WeakPolarHBondContact CG2-CE1 3.48Å
70I98.8Very high98.5Very high23 Ų2334.7 Ų34.712%0.11820%0.201CC..EExtended strand (participates in β ladder)trans-117.1136.9-178.7-46.8175.4000109A62 L63 I65 I68 A75 I76 Y79A62-I70 WeakPolarHBondContact CA-O 3.37Å; L63-I70 PolarHBondContact N-O 2.89Å; L63-I70 PolarHBondContact O-N 2.87Å; I65-I70 HydrophobicContact CG2-CD1 4.11Å; I68-I70 HydrophobicContact CD1-CD1 3.74Å; I68-I70 HydrophobicContact CD1-CG1 3.76Å; I68-I70 HydrophobicContact CG1-CD1 4.3Å; I68-I70 HydrophobicContact CG1-CG1 4.08Å; I70-A75 HydrophobicContact CG2-CB 4.45Å; I70-I76 HydrophobicContact CB-CG1 3.88Å; I70-I76 HydrophobicContact CG2-CG1 3.61Å; I70-Y79 HydrophobicContact CD1-CD1 3.47Å; I70-Y79 VanDerWaalsContact CD1-CD1 3.47Å; I70-Y79 HydrophobicContact CD1-CD2 3.9Å; I70-Y79 HydrophobicContact CD1-CE1 3.95Å; I70-Y79 HydrophobicContact CD1-CE2 4.32Å; I70-Y79 HydrophobicContact CD1-CG 3.43Å; I70-Y79 VanDerWaalsContact CD1-CG 3.43Å
71H97.8Very high98.5Very high52 Ų5235.1 Ų35.124%0.24120%0.202CC..EExtended strand (participates in β ladder)trans-115176170.4-44.9-46.9000109.5L54 A62 T69L54-H71 PolarHBondContact O-CE1 3.24Å; L54-H71 PolarHBondContact O-NE2 3.05Å; A62-H71 WeakPolarHBondContact CB-ND1 3.32Å; T69-H71 VanDerWaalsContact CG2-CE1 3.48Å; T69-H71 WeakPolarHBondContact CG2-CE1 3.48Å
72Q98.7Very high98.5Very high106 Ų10641.6 Ų41.650%0.49523%0.232SC..SBendtrans67.2116.8-173.4-57.9-62.5-28.400112.3L74 A75 I76Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 2.99Å; Q72-A75 HydrophobicContact CB-CB 4.08Å; Q72-A75 PolarHBondContact O-N 3.23Å; Q72-I76 WeakPolarHBondContact O-CG1 3.37Å; Q72-I76 PolarHBondContact O-N 2.73Å
73S98.9Very high98.5Very high7 Ų744 Ų445%0.04925%0.247CC..Hα-helixtrans-59.8-37-172.360.90000113.1R20 I77R20-S73 PolarHBondContact NH1-OG 3.46Å; S73-I77 WeakPolarHBondContact O-CD1 3.36Å; S73-I77 WeakPolarHBondContact O-CG1 3.36Å; S73-I77 PolarHBondContact O-N 2.96Å
74L98.9Very high98.5Very high28 Ų2848.1 Ų48.115%0.14726%0.262CS..Hα-helixtrans-72.8-39.3179.8-60-169.8000112.1Q72 I76 I77 E78 D105 A108 M162Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 2.99Å; L74-I76 VanDerWaalsContact C-N 3.31Å; L74-I76 PolarHBondContact O-N 2.71Å; L74-I77 PolarHBondContact O-N 3.47Å; L74-E78 VanDerWaalsContact O-CG 3.32Å; L74-E78 WeakPolarHBondContact O-CG 3.45Å; L74-E78 PolarHBondContact O-N 3.21Å; L74-D105 VanDerWaalsContact CD1-OD1 3.23Å; L74-D105 WeakPolarHBondContact CD1-OD1 3.24Å; L74-A108 HydrophobicContact CD1-CB 3.67Å; L74-A108 HydrophobicContact CD2-CB 4.29Å; L74-A108 HydrophobicContact CG-CB 4.01Å; L74-M162 HydrophobicContact CD2-CG 4.33Å; L74-M162 HydrophobicContact CD2-SD 4.03Å
75A98.9Very high98.5Very high50 Ų5048.4 Ų48.441%0.41327%0.272SS..Hα-helixtrans-62.9-39.3174.600000111.6I70 Q72 Y79I70-A75 HydrophobicContact CG2-CB 4.45Å; Q72-A75 HydrophobicContact CB-CB 4.08Å; Q72-A75 PolarHBondContact O-N 3.23Å; A75-Y79 WeakPolarHBondContact O-CB 3.45Å; A75-Y79 PolarHBondContact O-N 2.79Å
76I98.9Very high98.4Very high0 Ų053.8 Ų53.80%031%0.305CS..Hα-helixtrans-59.3-49.2171.8-67.6165000110.6V21 P61 L63 I70 Q72 L74 Y79 L80V21-I76 HydrophobicContact CB-CG2 4.45Å; V21-I76 HydrophobicContact CG1-CG2 3.65Å; V21-I76 HydrophobicContact CG2-CB 4.16Å; V21-I76 HydrophobicContact CG2-CD1 4.19Å; V21-I76 HydrophobicContact CG2-CG2 3.91Å; P61-I76 HydrophobicContact CB-CD1 4.39Å; P61-I76 HydrophobicContact CG-CD1 4.09Å; L63-I76 HydrophobicContact CB-CD1 3.97Å; L63-I76 HydrophobicContact CB-CG1 4.19Å; L63-I76 HydrophobicContact CB-CG2 4.17Å; L63-I76 HydrophobicContact CD2-CG2 3.56Å; L63-I76 HydrophobicContact CG-CG2 4.5Å; I70-I76 HydrophobicContact CB-CG1 3.88Å; I70-I76 HydrophobicContact CG2-CG1 3.61Å; Q72-I76 WeakPolarHBondContact O-CG1 3.37Å; Q72-I76 PolarHBondContact O-N 2.73Å; L74-I76 VanDerWaalsContact C-N 3.31Å; L74-I76 PolarHBondContact O-N 2.71Å; I76-Y79 PolarHBondContact O-N 3.45Å; I76-L80 HydrophobicContact CG2-CD1 4.16Å; I76-L80 HydrophobicContact CG2-CG 4.43Å; I76-L80 VanDerWaalsContact O-CG 3.3Å; I76-L80 WeakPolarHBondContact O-CG 3.39Å; I76-L80 PolarHBondContact O-N 3.16Å
77I98.9Very high98.5Very high1 Ų153.8 Ų53.81%0.00531%0.308CS..Hα-helixtrans-65.9-41-176.8-67.2166000111.8R20 V21 A24 S73 L74 L80 E81 L89 M162 L165R20-I77 HydrophobicContact CB-CD1 3.91Å; V21-I77 HydrophobicContact CG2-CG1 4.44Å; A24-I77 HydrophobicContact CB-CG1 3.87Å; A24-I77 HydrophobicContact CB-CG2 4.47Å; S73-I77 WeakPolarHBondContact O-CD1 3.36Å; S73-I77 WeakPolarHBondContact O-CG1 3.36Å; S73-I77 PolarHBondContact O-N 2.96Å; L74-I77 PolarHBondContact O-N 3.47Å; I77-L80 PolarHBondContact O-N 2.92Å; I77-E81 WeakPolarHBondContact O-CB 3.45Å; I77-E81 PolarHBondContact O-N 3.33Å; I77-L89 HydrophobicContact CG2-CD1 3.82Å; I77-M162 HydrophobicContact CB-SD 4.05Å; I77-M162 HydrophobicContact CG2-CB 4.36Å; I77-M162 HydrophobicContact CG2-CG 3.88Å; I77-M162 HydrophobicContact CG2-SD 3.63Å; I77-L165 HydrophobicContact CD1-CD2 4.27Å; I77-L165 HydrophobicContact CG2-CD2 4.47Å
78E98.9Very high98.5Very high30 Ų3054.1 Ų54.114%0.1428%0.284CS..Hα-helixtrans-63.7-41.7175.1-66.9-91.6-16400111L74 L80 E81 E82 L90 R101 M162L74-E78 VanDerWaalsContact O-CG 3.32Å; L74-E78 WeakPolarHBondContact O-CG 3.45Å; L74-E78 PolarHBondContact O-N 3.21Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 2.76Å; E78-E81 WeakPolarHBondContact O-CB 3.25Å; E78-E81 PolarHBondContact O-N 3.08Å; E78-E81 VanDerWaalsContact O-N 3.15Å; E78-E82 WeakPolarHBondContact O-CG 3.3Å; E78-E82 PolarHBondContact O-N 3.49Å; E78-L90 WeakPolarHBondContact OE2-CD1 3.35Å; E78-R101 IonicContact OE1-CZ 3.32Å; E78-R101 IonicContact OE1-NE 2.69Å; E78-R101 PolarHBondContact OE1-NE 3.43Å; E78-R101 IonicContact OE1-NH2 2.72Å; E78-R101 PolarHBondContact OE1-NH2 3.19Å; E78-R101 VanDerWaalsContact OE1-NH2 3.12Å; E78-R101 IonicContact OE2-CZ 3.84Å; E78-R101 IonicContact OE2-NE 3.94Å; E78-R101 IonicContact OE2-NH2 2.87Å; E78-R101 PolarHBondContact OE2-NH2 2.8Å; E78-M162 HydrophobicContact CG-SD 4.37Å
79Y98.9Very high98.6Very high51 Ų5150.6 Ų50.620%0.227%0.266CS..Hα-helixtrans-60.5-42.2173.9-179.6-94.7000112.5I65 D66 I68 I70 A75 I76 E81 E82 T83I65-Y79 HydrophobicContact CG2-CD1 4.16Å; I65-Y79 HydrophobicContact CG2-CE1 3.73Å; D66-Y79 WeakPolarHBondContact CB-OH 2.95Å; D66-Y79 PolarHBondContact OD2-OH 3.02Å; I68-Y79 HydrophobicContact CD1-CD2 4.5Å; I68-Y79 HydrophobicContact CD1-CE2 3.83Å; I70-Y79 HydrophobicContact CD1-CD1 3.47Å; I70-Y79 VanDerWaalsContact CD1-CD1 3.47Å; I70-Y79 HydrophobicContact CD1-CD2 3.9Å; I70-Y79 HydrophobicContact CD1-CE1 3.95Å; I70-Y79 HydrophobicContact CD1-CE2 4.32Å; I70-Y79 HydrophobicContact CD1-CG 3.43Å; I70-Y79 VanDerWaalsContact CD1-CG 3.43Å; A75-Y79 WeakPolarHBondContact O-CB 3.45Å; A75-Y79 PolarHBondContact O-N 2.79Å; I76-Y79 PolarHBondContact O-N 3.45Å; Y79-E81 VanDerWaalsContact C-N 3.32Å; Y79-E82 PolarHBondContact O-N 3.27Å; Y79-T83 HydrophobicContact CD1-CG2 4.45Å; Y79-T83 HydrophobicContact CD2-CG2 4.27Å; Y79-T83 HydrophobicContact CE1-CG2 4.07Å; Y79-T83 HydrophobicContact CE2-CG2 3.88Å; Y79-T83 WeakPolarHBondContact O-CB 3.32Å; Y79-T83 WeakPolarHBondContact O-CG2 3.31Å; Y79-T83 PolarHBondContact O-N 3.35Å; Y79-T83 PolarHBondContact O-OG1 2.88Å
80L98.9Very high98.6Very high0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-65.1-37.1175.3-66.1177.8000111.8A24 L25 I30 L63 I65 I76 I77 E78 R84A24-L80 HydrophobicContact CB-CD1 4.04Å; L25-L80 HydrophobicContact CD2-CD1 3.84Å; L25-L80 HydrophobicContact CD2-CD2 4.21Å; L25-L80 HydrophobicContact CG-CD1 4.14Å; I30-L80 HydrophobicContact CD1-CD2 3.8Å; L63-L80 HydrophobicContact CD2-CD2 4.25Å; I65-L80 HydrophobicContact CD1-CD2 3.81Å; I76-L80 HydrophobicContact CG2-CD1 4.16Å; I76-L80 HydrophobicContact CG2-CG 4.43Å; I76-L80 VanDerWaalsContact O-CG 3.3Å; I76-L80 WeakPolarHBondContact O-CG 3.39Å; I76-L80 PolarHBondContact O-N 3.16Å; I77-L80 PolarHBondContact O-N 2.92Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 2.76Å; L80-R84 CarbonylContact O-C 3.55Å; L80-R84 WeakPolarHBondContact O-CA 3.48Å; L80-R84 PolarHBondContact O-N 3.22Å
81E98.8Very high98.6Very high20 Ų2047.4 Ų47.49%0.09325%0.248CC..Hα-helixtrans-64.5-46.3174.8177.168173.100111.8K28 I77 E78 Y79 P85 L89 L90K28-E81 IonicContact NZ-OE2 3.85Å; K28-E81 PolarHBondContact NZ-OE2 2.94Å; I77-E81 WeakPolarHBondContact O-CB 3.45Å; I77-E81 PolarHBondContact O-N 3.33Å; E78-E81 WeakPolarHBondContact O-CB 3.25Å; E78-E81 PolarHBondContact O-N 3.08Å; E78-E81 VanDerWaalsContact O-N 3.15Å; Y79-E81 VanDerWaalsContact C-N 3.32Å; E81-P85 WeakPolarHBondContact O-CA 3.28Å; E81-L89 PolarHBondContact OE1-N 3.44Å; E81-L89 PolarHBondContact OE2-N 3.38Å; E81-L90 HydrophobicContact CG-CB 4.43Å; E81-L90 HydrophobicContact CG-CD1 4.29Å; E81-L90 HydrophobicContact CG-CG 4.37Å; E81-L90 PolarHBondContact OE1-N 2.85Å; E81-L90 VanDerWaalsContact OE1-N 3.17Å
82E98.8Very high98.6Very high140 Ų14052.9 Ų52.965%0.65427%0.274SS*.Hα-helixtrans-66.9-36.8-178.9-72.2173.3-17900112.4E78 Y79E78-E82 WeakPolarHBondContact O-CG 3.3Å; E78-E82 PolarHBondContact O-N 3.49Å; Y79-E82 PolarHBondContact O-N 3.27Å
83T98.8Very high98.6Very high52 Ų5251 Ų5132%0.31927%0.267SS..Hα-helixtrans-96.8-23.3-173.860.90000114.3Y79Y79-T83 HydrophobicContact CD1-CG2 4.45Å; Y79-T83 HydrophobicContact CD2-CG2 4.27Å; Y79-T83 HydrophobicContact CE1-CG2 4.07Å; Y79-T83 HydrophobicContact CE2-CG2 3.88Å; Y79-T83 WeakPolarHBondContact O-CB 3.32Å; Y79-T83 WeakPolarHBondContact O-CG2 3.31Å; Y79-T83 PolarHBondContact O-N 3.35Å; Y79-T83 PolarHBondContact O-OG1 2.88Å
84R98.6Very high98.6Very high86 Ų8655.4 Ų55.433%0.32530%0.295SS..SBendtrans-129.479.6174.2-7982.8-160.4172.5-9.8108.9K28 I30 D66 L80 T86K28-R84 HydrophobicContact CD-CB 4.32Å; K28-R84 VanDerWaalsContact CD-O 3.23Å; K28-R84 WeakPolarHBondContact CD-O 3.41Å; K28-R84 WeakPolarHBondContact CE-O 3.44Å; K28-R84 PolarHBondContact NZ-O 3.47Å; I30-R84 HydrophobicContact CD1-CB 4.48Å; I30-R84 HydrophobicContact CD1-CG 4.23Å; D66-R84 IonicContact OD1-CZ 2.65Å; D66-R84 IonicContact OD1-NH1 3.71Å; D66-R84 IonicContact OD1-NH2 3.04Å; D66-R84 PolarHBondContact OD1-NH2 2.99Å; D66-R84 IonicContact OD2-CZ 3.74Å; D66-R84 IonicContact OD2-NH1 2.65Å; D66-R84 PolarHBondContact OD2-NH1 3.34Å; D66-R84 IonicContact OD2-NH2 3.42Å; D66-R84 PolarHBondContact OD2-NH2 3.18Å; L80-R84 CarbonylContact O-C 3.55Å; L80-R84 WeakPolarHBondContact O-CA 3.48Å; L80-R84 PolarHBondContact O-N 3.22Å; R84-T86 PolarHBondContact O-N 2.9Å
85P97.8Very high98.6Very high80 Ų8062.1 Ų62.152%0.51932%0.323SS..  trans-66.1-14.2-166.6-25.636.3000116.6E81 P87 R88E81-P85 WeakPolarHBondContact O-CA 3.28Å; P85-P87 CarbonylContact O-C 3.31Å; P85-R88 PolarHBondContact O-N 3.42Å
86T97.5Very high98.6Very high121 Ų12165 Ų6574%0.74233%0.327SS*.SBendtrans-124.2135.7-174.1-59.20000111.4R84R84-T86 PolarHBondContact O-N 2.9Å
87P98.1Very high98.5Very high62 Ų6267.9 Ų67.940%0.40334%0.337SS..SBendcis-65.2150.1-12.730-35.6000111.3L27 K28 P85L27-P87 WeakPolarHBondContact O-CD 3.44Å; L27-P87 WeakPolarHBondContact O-CG 3.39Å; K28-P87 WeakPolarHBondContact CE-O 3.09Å; K28-P87 PolarHBondContact NZ-O 3.33Å; P85-P87 CarbonylContact O-C 3.31Å
88R98.4Very high98.5Very high89 Ų8970.6 Ų70.634%0.33636%0.36SS..  trans-70.8138.9-176.966.4-176.3176.6-173.5-0.7111.6P85 E159P85-R88 PolarHBondContact O-N 3.42Å; R88-E159 IonicContact CZ-OE1 3.5Å; R88-E159 IonicContact CZ-OE2 2.69Å; R88-E159 IonicContact NE-OE2 3.12Å; R88-E159 PolarHBondContact NE-OE2 3.31Å; R88-E159 IonicContact NH2-OE1 2.67Å; R88-E159 PolarHBondContact NH2-OE1 3.25Å; R88-E159 IonicContact NH2-OE2 2.9Å; R88-E159 PolarHBondContact NH2-OE2 2.87Å
89L98.8Very high98.5Very high3 Ų370.7 Ų70.72%0.01636%0.364CS..SBendtrans-103.2-9.3169.8-60.2179.2000111.7A24 L27 I77 E81 T161 M162 L165A24-L89 HydrophobicContact CB-CD1 4Å; L27-L89 HydrophobicContact CB-CD2 4.38Å; L27-L89 HydrophobicContact CD1-CD2 3.7Å; I77-L89 HydrophobicContact CG2-CD1 3.82Å; E81-L89 PolarHBondContact OE1-N 3.44Å; E81-L89 PolarHBondContact OE2-N 3.38Å; L89-T161 CarbonylContact O-C 3.55Å; L89-T161 VanDerWaalsContact O-CA 3.24Å; L89-T161 WeakPolarHBondContact O-CA 3.45Å; L89-T161 WeakPolarHBondContact O-CB 3.41Å; L89-M162 PolarHBondContact O-N 3.04Å; L89-L165 HydrophobicContact CD1-CD2 4.02Å; L89-L165 HydrophobicContact CD2-CD1 4.06Å; L89-L165 HydrophobicContact CD2-CD2 4.29Å
90L98.8Very high98.5Very high4 Ų468.2 Ų68.22%0.02136%0.355CS..SBendtrans-127.7139.6171.4-65.9177.2000110.5E78 E81 R97 V100 M162E78-L90 WeakPolarHBondContact OE2-CD1 3.35Å; E81-L90 HydrophobicContact CG-CB 4.43Å; E81-L90 HydrophobicContact CG-CD1 4.29Å; E81-L90 HydrophobicContact CG-CG 4.37Å; E81-L90 PolarHBondContact OE1-N 2.85Å; E81-L90 VanDerWaalsContact OE1-N 3.17Å; L90-R97 HydrophobicContact CB-CG 4.48Å; L90-R97 VanDerWaalsContact CD1-NH2 3.29Å; L90-V100 HydrophobicContact CD2-CB 3.97Å; L90-V100 HydrophobicContact CD2-CG1 3.47Å; L90-V100 VanDerWaalsContact CD2-CG1 3.47Å; L90-M162 HydrophobicContact CD2-CB 4.3Å; L90-M162 HydrophobicContact CD2-CE 4.27Å
91P98.4Very high98.5Very high14 Ų1471.9 Ų71.99%0.09137%0.368CS..  trans-66.1165.1174.127.7-33.2000110.9K96 R97 V100P91-K96 HydrophobicContact CB-CB 3.97Å; P91-K96 HydrophobicContact CG-CB 3.46Å; P91-K96 VanDerWaalsContact CG-CB 3.46Å; P91-R97 HydrophobicContact CG-CG 4.03Å; P91-R97 WeakPolarHBondContact O-CD 3.49Å; P91-R97 WeakPolarHBondContact O-CG 3.3Å; P91-R97 PolarHBondContact O-NH1 3.2Å; P91-V100 HydrophobicContact CG-CG2 4.2Å
92Q97.8Very high98.6Very high166 Ų16675.2 Ų75.278%0.77639%0.385SS*.SBendtrans-76.2-37.4175.1-72.6179.2-10.100112.2P94Q92-P94 WeakPolarHBondContact O-CD 3.15Å
93D98.4Very high98.6Very high67 Ų6768.5 Ų68.536%0.35835%0.354SS..SBendtrans-64.2118.6-179.8175.13.7000111.1K95 K96 R97D93-K95 PolarHBondContact O-N 3.12Å; D93-K95 VanDerWaalsContact O-N 3.16Å; D93-K95 WeakPolarHBondContact OD1-CB 3.5Å; D93-K95 PolarHBondContact OD1-N 3.35Å; D93-K96 HydrophobicContact CB-CB 4.24Å; D93-K96 HydrophobicContact CB-CD 4.27Å; D93-K96 HydrophobicContact CB-CG 4.2Å; D93-K96 PolarHBondContact O-N 2.84Å; D93-K96 VanDerWaalsContact O-N 3.1Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 3.19Å
94P98.7Very high98.6Very high99 Ų9966 Ų6664%0.64334%0.338SS*.Hα-helixtrans-53.6-34.4178.2-27.536.1000114.4Q92 R97 A98Q92-P94 WeakPolarHBondContact O-CD 3.15Å; P94-R97 PolarHBondContact O-N 3.42Å; P94-A98 PolarHBondContact O-N 3Å
95K98.7Very high98.6Very high169 Ų16966.1 Ų66.174%0.73535%0.345SS*.Hα-helixtrans-66.7-45.9178.7-66.3179.6179.6179.10111D93 R97 A98 S99D93-K95 PolarHBondContact O-N 3.12Å; D93-K95 VanDerWaalsContact O-N 3.16Å; D93-K95 WeakPolarHBondContact OD1-CB 3.5Å; D93-K95 PolarHBondContact OD1-N 3.35Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-A98 WeakPolarHBondContact O-CB 3.42Å; K95-A98 PolarHBondContact O-N 3.32Å; K95-S99 PolarHBondContact O-N 3.03Å; K95-S99 PolarHBondContact O-OG 2.65Å
96K98.8Very high98.6Very high112 Ų11264 Ų6449%0.48733%0.329SS..Hα-helixtrans-66.6-36.1174.9-64.6-177.5-179.6-174.90111.8P91 D93 A98 S99 V100 V156P91-K96 HydrophobicContact CB-CB 3.97Å; P91-K96 HydrophobicContact CG-CB 3.46Å; P91-K96 VanDerWaalsContact CG-CB 3.46Å; D93-K96 HydrophobicContact CB-CB 4.24Å; D93-K96 HydrophobicContact CB-CD 4.27Å; D93-K96 HydrophobicContact CB-CG 4.2Å; D93-K96 PolarHBondContact O-N 2.84Å; D93-K96 VanDerWaalsContact O-N 3.1Å; K96-A98 VanDerWaalsContact C-N 3.28Å; K96-A98 PolarHBondContact O-N 2.93Å; K96-S99 WeakPolarHBondContact O-CB 3.42Å; K96-S99 PolarHBondContact O-N 3.2Å; K96-V100 WeakPolarHBondContact O-CG2 3.39Å; K96-V100 PolarHBondContact O-N 2.93Å; K96-V156 HydrophobicContact CB-CG1 4.31Å
97R98.8Very high98.7Very high59 Ų5958.2 Ų58.222%0.22329%0.294CS..Hα-helixtrans-59.5-41173.7-68.7174.970.882.30.5111.3L90 P91 D93 P94 K95 V100 R101L90-R97 HydrophobicContact CB-CG 4.48Å; L90-R97 VanDerWaalsContact CD1-NH2 3.29Å; P91-R97 HydrophobicContact CG-CG 4.03Å; P91-R97 WeakPolarHBondContact O-CD 3.49Å; P91-R97 WeakPolarHBondContact O-CG 3.3Å; P91-R97 PolarHBondContact O-NH1 3.2Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 3.19Å; P94-R97 PolarHBondContact O-N 3.42Å; K95-R97 VanDerWaalsContact C-N 3.34Å; R97-V100 PolarHBondContact O-N 3.41Å; R97-R101 WeakPolarHBondContact O-CG 3.38Å; R97-R101 PolarHBondContact O-N 3.43Å
98A98.9Very high98.7Very high59 Ų5956 Ų5649%0.48828%0.281SS..Hα-helixtrans-62-43.3175.500000111.5P94 K95 K96 V100 R101 M102P94-A98 PolarHBondContact O-N 3Å; K95-A98 WeakPolarHBondContact O-CB 3.42Å; K95-A98 PolarHBondContact O-N 3.32Å; K96-A98 VanDerWaalsContact C-N 3.28Å; K96-A98 PolarHBondContact O-N 2.93Å; A98-V100 PolarHBondContact O-N 3.46Å; A98-R101 PolarHBondContact O-N 3.38Å; A98-M102 VanDerWaalsContact O-CB 3.25Å; A98-M102 WeakPolarHBondContact O-CB 3.44Å; A98-M102 PolarHBondContact O-N 3.17Å
99S98.9Very high98.7Very high31 Ų3154.2 Ų54.222%0.21729%0.29CS..Hα-helixtrans-61-43.8174.5-56.30000112.7K95 K96 M102 I103K95-S99 PolarHBondContact O-N 3.03Å; K95-S99 PolarHBondContact O-OG 2.65Å; K96-S99 WeakPolarHBondContact O-CB 3.42Å; K96-S99 PolarHBondContact O-N 3.2Å; S99-M102 PolarHBondContact O-N 3.34Å; S99-I103 WeakPolarHBondContact O-CG1 3.31Å; S99-I103 PolarHBondContact O-N 3.01Å; S99-I103 VanDerWaalsContact O-N 3.08Å
100V98.9Very high98.7Very high0 Ų056 Ų560%031%0.31CS..Hα-helixtrans-61.3-46.7177.5175.50000111.1L90 P91 K96 R97 A98 I103 S104 V156 T161 M162 A163L90-V100 HydrophobicContact CD2-CB 3.97Å; L90-V100 HydrophobicContact CD2-CG1 3.47Å; L90-V100 VanDerWaalsContact CD2-CG1 3.47Å; P91-V100 HydrophobicContact CG-CG2 4.2Å; K96-V100 WeakPolarHBondContact O-CG2 3.39Å; K96-V100 PolarHBondContact O-N 2.93Å; R97-V100 PolarHBondContact O-N 3.41Å; A98-V100 PolarHBondContact O-N 3.46Å; V100-I103 PolarHBondContact O-N 2.99Å; V100-S104 WeakPolarHBondContact O-CB 3.35Å; V100-S104 PolarHBondContact O-N 3.5Å; V100-S104 PolarHBondContact O-OG 3.38Å; V100-V156 HydrophobicContact CB-CG2 4.47Å; V100-V156 HydrophobicContact CG2-CB 3.8Å; V100-V156 HydrophobicContact CG2-CG1 4.05Å; V100-V156 HydrophobicContact CG2-CG2 3.66Å; V100-T161 HydrophobicContact CG2-CG2 3.83Å; V100-M162 HydrophobicContact CG1-CB 3.88Å; V100-A163 HydrophobicContact CG1-CB 4.13Å
101R98.9Very high98.7Very high77 Ų7755.9 Ų55.929%0.29131%0.309SS..Hα-helixtrans-66-43.9178.7-72-170.8178.8113.7-3112.2E78 R97 A98 I103 S104 D105 M162E78-R101 IonicContact OE1-CZ 3.32Å; E78-R101 IonicContact OE1-NE 2.69Å; E78-R101 PolarHBondContact OE1-NE 3.43Å; E78-R101 IonicContact OE1-NH2 2.72Å; E78-R101 PolarHBondContact OE1-NH2 3.19Å; E78-R101 VanDerWaalsContact OE1-NH2 3.12Å; E78-R101 IonicContact OE2-CZ 3.84Å; E78-R101 IonicContact OE2-NE 3.94Å; E78-R101 IonicContact OE2-NH2 2.87Å; E78-R101 PolarHBondContact OE2-NH2 2.8Å; R97-R101 WeakPolarHBondContact O-CG 3.38Å; R97-R101 PolarHBondContact O-N 3.43Å; A98-R101 PolarHBondContact O-N 3.38Å; R101-I103 VanDerWaalsContact C-N 3.31Å; R101-I103 PolarHBondContact O-N 2.96Å; R101-S104 CarbonylContact O-C 3.58Å; R101-S104 WeakPolarHBondContact O-CB 3.33Å; R101-S104 PolarHBondContact O-N 3.21Å; R101-S104 VanDerWaalsContact O-N 3.1Å; R101-D105 WeakPolarHBondContact O-CB 3.47Å; R101-D105 PolarHBondContact O-N 3.33Å; R101-M162 HydrophobicContact CG-CE 4.13Å
102M98.9Very high98.7Very high89 Ų8956 Ų5644%0.43831%0.308SS..Hα-helixtrans-54.5-47176.4178.6-176.366.600111.7A98 S99 L106 I146A98-M102 VanDerWaalsContact O-CB 3.25Å; A98-M102 WeakPolarHBondContact O-CB 3.44Å; A98-M102 PolarHBondContact O-N 3.17Å; S99-M102 PolarHBondContact O-N 3.34Å; M102-L106 VanDerWaalsContact O-CB 3.27Å; M102-L106 WeakPolarHBondContact O-CB 3.35Å; M102-L106 PolarHBondContact O-N 3.21Å; M102-I146 HydrophobicContact CE-CD1 4.49Å; M102-I146 HydrophobicContact CE-CG2 3.61Å
103I98.9Very high98.8Very high0 Ų050.5 Ų50.50%029%0.287CS..Hα-helixtrans-66.8-43.4177.2-68.1165.3000111S99 V100 R101 D105 L106 I107 L143 I146 L147 C155 V156 A163S99-I103 WeakPolarHBondContact O-CG1 3.31Å; S99-I103 PolarHBondContact O-N 3.01Å; S99-I103 VanDerWaalsContact O-N 3.08Å; V100-I103 PolarHBondContact O-N 2.99Å; R101-I103 VanDerWaalsContact C-N 3.31Å; R101-I103 PolarHBondContact O-N 2.96Å; I103-D105 VanDerWaalsContact C-N 3.34Å; I103-D105 PolarHBondContact O-N 3.15Å; I103-L106 PolarHBondContact O-N 3.16Å; I103-I107 HydrophobicContact CG2-CD1 4.03Å; I103-I107 WeakPolarHBondContact O-CG1 3.44Å; I103-I107 PolarHBondContact O-N 3.28Å; I103-I107 VanDerWaalsContact O-N 3.11Å; I103-L143 HydrophobicContact CB-CD1 4.43Å; I103-L143 HydrophobicContact CG1-CD1 4.2Å; I103-L143 HydrophobicContact CG2-CD1 3.65Å; I103-I146 HydrophobicContact CD1-CG2 4.16Å; I103-I146 HydrophobicContact CG1-CG2 3.91Å; I103-L147 HydrophobicContact CD1-CD2 4.05Å; I103-C155 HydrophobicContact CD1-CB 4.4Å; I103-V156 HydrophobicContact CD1-CG2 3.82Å; I103-A163 HydrophobicContact CB-CB 3.9Å; I103-A163 HydrophobicContact CG2-CB 3.63Å
104S98.9Very high98.8Very high0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-60.1-43.9178.6-56.40000111.6V100 R101 I107 A108 A163V100-S104 WeakPolarHBondContact O-CB 3.35Å; V100-S104 PolarHBondContact O-N 3.5Å; V100-S104 PolarHBondContact O-OG 3.38Å; R101-S104 CarbonylContact O-C 3.58Å; R101-S104 WeakPolarHBondContact O-CB 3.33Å; R101-S104 PolarHBondContact O-N 3.21Å; R101-S104 VanDerWaalsContact O-N 3.1Å; S104-I107 PolarHBondContact O-N 3.01Å; S104-A108 WeakPolarHBondContact O-CB 3.12Å; S104-A108 PolarHBondContact O-N 2.97Å; S104-A163 PolarHBondContact OG-N 2.62Å
105D98.9Very high98.8Very high88 Ų8846.4 Ų46.447%0.47126%0.259SS..Hα-helixtrans-73.8-37.4180-70.6-20.9000112.1L74 R101 I103 I107 A108 G109 G110L74-D105 VanDerWaalsContact CD1-OD1 3.23Å; L74-D105 WeakPolarHBondContact CD1-OD1 3.24Å; R101-D105 WeakPolarHBondContact O-CB 3.47Å; R101-D105 PolarHBondContact O-N 3.33Å; I103-D105 VanDerWaalsContact C-N 3.34Å; I103-D105 PolarHBondContact O-N 3.15Å; D105-I107 PolarHBondContact O-N 3.27Å; D105-A108 PolarHBondContact O-N 2.93Å; D105-G109 VanDerWaalsContact O-CA 3.3Å; D105-G109 WeakPolarHBondContact O-CA 3.25Å; D105-G109 PolarHBondContact O-N 3.21Å; D105-G110 PolarHBondContact O-N 3.38Å
106L98.9Very high98.7Very high34 Ų3439.9 Ų39.918%0.17823%0.232CC..Iπ-helixtrans-54.5-46.9171.1-179157.1000109.7M102 I103 G110 I111 A142 L143 I146M102-L106 VanDerWaalsContact O-CB 3.27Å; M102-L106 WeakPolarHBondContact O-CB 3.35Å; M102-L106 PolarHBondContact O-N 3.21Å; I103-L106 PolarHBondContact O-N 3.16Å; L106-G110 CarbonylContact O-C 3.41Å; L106-G110 WeakPolarHBondContact O-CA 3.14Å; L106-G110 PolarHBondContact O-N 3.1Å; L106-I111 HydrophobicContact CD2-CD1 3.71Å; L106-I111 HydrophobicContact CD2-CG1 4.15Å; L106-I111 PolarHBondContact O-N 3.34Å; L106-I111 VanDerWaalsContact O-N 3.1Å; L106-A142 HydrophobicContact CD1-CB 4.23Å; L106-L143 HydrophobicContact CD2-CB 4.01Å; L106-I146 HydrophobicContact CD1-CD1 3.54Å
107I98.9Very high98.4Very high0 Ų037.4 Ų37.40%022%0.224CC..Iπ-helixtrans-73.5-50.6179.8-65.9165.6000111.5I103 S104 D105 I111 Q112 L143 C166 L167 Q170I103-I107 HydrophobicContact CG2-CD1 4.03Å; I103-I107 WeakPolarHBondContact O-CG1 3.44Å; I103-I107 PolarHBondContact O-N 3.28Å; I103-I107 VanDerWaalsContact O-N 3.11Å; S104-I107 PolarHBondContact O-N 3.01Å; D105-I107 PolarHBondContact O-N 3.27Å; I107-I111 HydrophobicContact CG1-CD1 4.4Å; I107-I111 PolarHBondContact O-N 3.17Å; I107-Q112 WeakPolarHBondContact O-CB 3.27Å; I107-Q112 PolarHBondContact O-N 3.08Å; I107-L143 HydrophobicContact CD1-CD2 3.91Å; I107-L143 HydrophobicContact CG1-CD2 4.05Å; I107-C166 HydrophobicContact CB-CB 4.17Å; I107-C166 HydrophobicContact CD1-CB 3.92Å; I107-C166 HydrophobicContact CG2-CB 4.01Å; I107-L167 HydrophobicContact CD1-CB 4.44Å; I107-L167 HydrophobicContact CD1-CD1 4.44Å; I107-Q170 HydrophobicContact CG2-CB 3.71Å; I107-Q170 HydrophobicContact CG2-CG 3.85Å
108A98.7Very high98.3Very high17 Ų1737.1 Ų37.114%0.1423%0.231CC..Iπ-helixtrans-78.5-29-17000000113.9L74 S104 D105 P113L74-A108 HydrophobicContact CD1-CB 3.67Å; L74-A108 HydrophobicContact CD2-CB 4.29Å; L74-A108 HydrophobicContact CG-CB 4.01Å; S104-A108 WeakPolarHBondContact O-CB 3.12Å; S104-A108 PolarHBondContact O-N 2.97Å; D105-A108 PolarHBondContact O-N 2.93Å; A108-P113 WeakPolarHBondContact O-CD 3.39Å; A108-P113 VanDerWaalsContact O-CG 3.24Å; A108-P113 WeakPolarHBondContact O-CG 3.44Å
109G98.3Very high98.2Very high50 Ų5036.4 Ų36.452%0.51522%0.221SC..Iπ-helixtrans-107.2-35.8177.700000113.4D105 P113D105-G109 VanDerWaalsContact O-CA 3.3Å; D105-G109 WeakPolarHBondContact O-CA 3.25Å; D105-G109 PolarHBondContact O-N 3.21Å; G109-P113 WeakPolarHBondContact O-CD 3.37Å; G109-P113 WeakPolarHBondContact O-CG 3.42Å
110G98.5Very high98.1Very high42 Ų4235.4 Ų35.443%0.43321%0.212SC..Iπ-helixtrans-90.4-26-17500000115.8D105 L106 L114D105-G110 PolarHBondContact O-N 3.38Å; L106-G110 CarbonylContact O-C 3.41Å; L106-G110 WeakPolarHBondContact O-CA 3.14Å; L106-G110 PolarHBondContact O-N 3.1Å; G110-L114 WeakPolarHBondContact O-CD1 3.3Å
111I98.9Very high98Very high0 Ų040.7 Ų40.70%024%0.235CC..Iπ-helixtrans-115.3-58.5-178.4-48.7176.6000111.6L106 I107 P113 L114 I136 F140L106-I111 HydrophobicContact CD2-CD1 3.71Å; L106-I111 HydrophobicContact CD2-CG1 4.15Å; L106-I111 PolarHBondContact O-N 3.34Å; L106-I111 VanDerWaalsContact O-N 3.1Å; I107-I111 HydrophobicContact CG1-CD1 4.4Å; I107-I111 PolarHBondContact O-N 3.17Å; I111-P113 VanDerWaalsContact C-CD 3.49Å; I111-L114 PolarHBondContact O-N 3.08Å; I111-I136 HydrophobicContact CG2-CB 4.49Å; I111-I136 HydrophobicContact CG2-CG1 3.96Å; I111-F140 HydrophobicContact CD1-CD1 3.99Å; I111-F140 HydrophobicContact CD1-CE1 4.23Å
112Q98.8Very high97.9Very high18 Ų1845.2 Ų45.28%0.08426%0.26CS..G310 helixtrans-56.9-42.6-170-164.1-73-29.300113.2C17 I107 L114 Q115 N116C17-Q112 PolarHBondContact SG-NE2 2.75Å; I107-Q112 WeakPolarHBondContact O-CB 3.27Å; I107-Q112 PolarHBondContact O-N 3.08Å; Q112-L114 VanDerWaalsContact C-N 3.27Å; Q112-L114 PolarHBondContact O-N 2.89Å; Q112-Q115 VanDerWaalsContact CA-NE2 3.34Å; Q112-Q115 PolarHBondContact O-N 3.21Å; Q112-Q115 PolarHBondContact O-NE2 2.88Å; Q112-N116 PolarHBondContact NE2-ND2 3.23Å; Q112-N116 PolarHBondContact O-N 3.33Å; Q112-N116 VanDerWaalsContact O-N 3.15Å
113P98.7Very high97.8Very high49 Ų4942.6 Ų42.632%0.31825%0.249SC..G310 helixtrans-64-34-177.3-25.438.4000112.6A108 G109 I111 Q115 N116 V119A108-P113 WeakPolarHBondContact O-CD 3.39Å; A108-P113 VanDerWaalsContact O-CG 3.24Å; A108-P113 WeakPolarHBondContact O-CG 3.44Å; G109-P113 WeakPolarHBondContact O-CD 3.37Å; G109-P113 WeakPolarHBondContact O-CG 3.42Å; I111-P113 VanDerWaalsContact C-CD 3.49Å; P113-Q115 VanDerWaalsContact C-N 3.34Å; P113-Q115 PolarHBondContact O-N 3.47Å; P113-N116 WeakPolarHBondContact O-CB 3.37Å; P113-N116 PolarHBondContact O-N 3.3Å; P113-V119 WeakPolarHBondContact O-CG2 3.15Å
114L98.6Very high97.6Very high77 Ų7744 Ų4440%0.40326%0.263SS..G310 helixtrans-70.3-28.7-177.8-57.2-179.1000113.1G110 I111 Q112 V119 W131 A135G110-L114 WeakPolarHBondContact O-CD1 3.3Å; I111-L114 PolarHBondContact O-N 3.08Å; Q112-L114 VanDerWaalsContact C-N 3.27Å; Q112-L114 PolarHBondContact O-N 2.89Å; L114-V119 WeakPolarHBondContact O-CG1 3.43Å; L114-W131 VanDerWaalsContact O-CD1 3.28Å; L114-W131 PolarHBondContact O-NE1 3.15Å; L114-A135 HydrophobicContact CB-CB 3.75Å; L114-A135 HydrophobicContact CD1-CB 4.11Å
115Q98.3Very high97.4Very high3 Ų352.3 Ų52.31%0.01430%0.302CS..G310 helixtrans-105.115.1176.560.972.769.300113.2Q112 P113 L120 A132 I136 N173 F177Q112-Q115 VanDerWaalsContact CA-NE2 3.34Å; Q112-Q115 PolarHBondContact O-N 3.21Å; Q112-Q115 PolarHBondContact O-NE2 2.88Å; P113-Q115 VanDerWaalsContact C-N 3.34Å; P113-Q115 PolarHBondContact O-N 3.47Å; Q115-L120 WeakPolarHBondContact O-CD1 3.49Å; Q115-A132 HydrophobicContact CB-CB 3.95Å; Q115-I136 HydrophobicContact CG-CD1 4.4Å; Q115-I136 HydrophobicContact CG-CG1 4.33Å; Q115-N173 PolarHBondContact OE1-ND2 3.23Å; Q115-N173 VanDerWaalsContact OE1-ND2 3.09Å; Q115-F177 HydrophobicContact CB-CE2 4.29Å
116N97Very high97.2Very high33 Ų3355.6 Ų55.618%0.17632%0.315CS..SBendtrans-68145.8177.1-169.8-64.1000110.8Q112 P113 S118 V119 L120Q112-N116 PolarHBondContact NE2-ND2 3.23Å; Q112-N116 PolarHBondContact O-N 3.33Å; Q112-N116 VanDerWaalsContact O-N 3.15Å; P113-N116 WeakPolarHBondContact O-CB 3.37Å; P113-N116 PolarHBondContact O-N 3.3Å; N116-S118 PolarHBondContact O-N 2.78Å; N116-S118 VanDerWaalsContact O-N 3.14Å; N116-S118 PolarHBondContact OD1-N 3.45Å; N116-S118 VanDerWaalsContact OD1-N 3.15Å; N116-S118 PolarHBondContact OD1-OG 2.85Å; N116-V119 PolarHBondContact O-N 3.4Å; N116-L120 WeakPolarHBondContact O-CG 3.31Å; N116-L120 PolarHBondContact O-N 3.11Å
117L93.5Very high97.1Very high60 Ų6059.7 Ų59.731%0.31433%0.331SS..Hα-helixtrans-48.4-42.8179.1179.563.3000113.4L39 V119 L120 K121L39-L117 HydrophobicContact CB-CD2 4.1Å; L39-L117 WeakPolarHBondContact O-CD2 3.13Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 2.6Å; L117-L120 PolarHBondContact O-N 3.07Å; L117-K121 HydrophobicContact CD1-CG 4.38Å; L117-K121 HydrophobicContact CG-CD 4.46Å; L117-K121 WeakPolarHBondContact O-CB 3.42Å; L117-K121 WeakPolarHBondContact O-CG 3.32Å; L117-K121 PolarHBondContact O-N 2.97Å
118S94.9Very high97Very high53 Ų5363 Ų6337%0.37135%0.346SS..Hα-helixtrans-67-35.7-179610000112.7N116 Q122N116-S118 PolarHBondContact O-N 2.78Å; N116-S118 VanDerWaalsContact O-N 3.14Å; N116-S118 PolarHBondContact OD1-N 3.45Å; N116-S118 VanDerWaalsContact OD1-N 3.15Å; N116-S118 PolarHBondContact OD1-OG 2.85Å; S118-Q122 PolarHBondContact O-N 2.76Å
119V97.7Very high97Very high44 Ų4465.8 Ų65.827%0.26736%0.359SS..Hα-helixtrans-72.1-46.6176.6175.60000109.9P113 L114 N116 L117 K121 Q122 V123P113-V119 WeakPolarHBondContact O-CG2 3.15Å; L114-V119 WeakPolarHBondContact O-CG1 3.43Å; N116-V119 PolarHBondContact O-N 3.4Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 2.6Å; V119-K121 VanDerWaalsContact C-N 3.27Å; V119-K121 PolarHBondContact O-N 3.45Å; V119-Q122 WeakPolarHBondContact O-CA 3.43Å; V119-Q122 WeakPolarHBondContact O-CB 3.42Å; V119-Q122 PolarHBondContact O-N 3.34Å; V119-V123 HydrophobicContact CG1-CG2 4.35Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.1Å
120L97.3Very high97Very high9 Ų966.9 Ų66.95%0.04736%0.355CS..Hα-helixtrans-60.1-36.8178.4-65.4-172.8000112.7Q115 N116 L117 Q122 V123 G124 Q128 W131 A132 F177Q115-L120 WeakPolarHBondContact O-CD1 3.49Å; N116-L120 WeakPolarHBondContact O-CG 3.31Å; N116-L120 PolarHBondContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 3.07Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 2.9Å; L120-V123 PolarHBondContact O-N 3.42Å; L120-G124 PolarHBondContact O-N 3.17Å; L120-G124 VanDerWaalsContact O-N 3.16Å; L120-Q128 HydrophobicContact CB-CB 4.08Å; L120-Q128 HydrophobicContact CD2-CB 4.22Å; L120-W131 HydrophobicContact CD2-CG 4.43Å; L120-A132 HydrophobicContact CD1-CB 4.28Å; L120-A132 HydrophobicContact CD2-CB 4.12Å; L120-F177 HydrophobicContact CD1-CE1 3.92Å; L120-F177 HydrophobicContact CD1-CZ 3.61Å
121K95.3Very high97Very high111 Ų11170.7 Ų70.748%0.48336%0.357SS..Hα-helixtrans-61-34.7172.2-78.3-178.3177.3-1740113L117 V119L117-K121 HydrophobicContact CD1-CG 4.38Å; L117-K121 HydrophobicContact CG-CD 4.46Å; L117-K121 WeakPolarHBondContact O-CB 3.42Å; L117-K121 WeakPolarHBondContact O-CG 3.32Å; L117-K121 PolarHBondContact O-N 2.97Å; V119-K121 VanDerWaalsContact C-N 3.27Å; V119-K121 PolarHBondContact O-N 3.45Å
122Q97.1Very high97Very high172 Ų17270.7 Ų70.780%0.80436%0.357SS*.Hα-helixtrans-77.6-32.6177-68.1-177.610.300112.6S118 V119 L120 G124S118-Q122 PolarHBondContact O-N 2.76Å; V119-Q122 WeakPolarHBondContact O-CA 3.43Å; V119-Q122 WeakPolarHBondContact O-CB 3.42Å; V119-Q122 PolarHBondContact O-N 3.34Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 2.9Å; Q122-G124 PolarHBondContact O-N 2.92Å
123V97.3Very high97Very high35 Ų3572 Ų7221%0.21236%0.363CS..Hα-helixtrans-64.6-30.4174.7170.20000111.7V119 L120 F127 W131V119-V123 HydrophobicContact CG1-CG2 4.35Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.1Å; L120-V123 PolarHBondContact O-N 3.42Å; V123-F127 HydrophobicContact CG1-CB 3.6Å; V123-W131 HydrophobicContact CG1-CB 3.9Å; V123-W131 HydrophobicContact CG1-CD2 4.35Å; V123-W131 HydrophobicContact CG1-CE3 4.46Å; V123-W131 HydrophobicContact CG1-CG 4.11Å; V123-W131 HydrophobicContact CG2-CD2 3.77Å; V123-W131 HydrophobicContact CG2-CE3 4.2Å; V123-W131 HydrophobicContact CG2-CG 3.91Å
124G95.2Very high97Very high29 Ų2974.1 Ų74.130%0.29937%0.372SS..  trans91154.1178.700000113L120 Q122 E126 F127 Q128L120-G124 PolarHBondContact O-N 3.17Å; L120-G124 VanDerWaalsContact O-N 3.16Å; Q122-G124 PolarHBondContact O-N 2.92Å; G124-E126 PolarHBondContact O-N 2.92Å; G124-F127 PolarHBondContact O-N 3.5Å; G124-Q128 WeakPolarHBondContact O-CB 3.47Å; G124-Q128 PolarHBondContact O-N 3.39Å
125E93.8Very high97Very high174 Ų17471 Ų7181%0.81336%0.357SS*.THydrogen-bonded Turntrans-60.3-32.5-170.3-69.3-171.2166.700113.9
126E96.1Very high97Very high158 Ų15870.9 Ų70.974%0.73836%0.356SS*.THydrogen-bonded Turntrans-65-38.8179.7-173.6178.217700112.3G124G124-E126 PolarHBondContact O-N 2.92Å
127F96.6Very high97.1Very high120 Ų12072.2 Ų72.253%0.52636%0.363SS..THydrogen-bonded Turntrans-107.7-13.3-170.9-57.9-68.2000114V123 G124 L129 T130 W131V123-F127 HydrophobicContact CG1-CB 3.6Å; G124-F127 PolarHBondContact O-N 3.5Å; F127-L129 VanDerWaalsContact C-N 3.27Å; F127-L129 PolarHBondContact O-N 3.27Å; F127-T130 PolarHBondContact O-N 2.86Å; F127-W131 VanDerWaalsContact O-CB 3.27Å; F127-W131 WeakPolarHBondContact O-CB 3.42Å; F127-W131 PolarHBondContact O-N 3.08Å
128Q97.3Very high97.4Very high68 Ų6873.4 Ų73.432%0.31838%0.376SS..Hα-helixtrans-57.1-36.8-17365.6-178.6-19.200113.8L120 G124 A132L120-Q128 HydrophobicContact CB-CB 4.08Å; L120-Q128 HydrophobicContact CD2-CB 4.22Å; G124-Q128 WeakPolarHBondContact O-CB 3.47Å; G124-Q128 PolarHBondContact O-N 3.39Å; Q128-A132 WeakPolarHBondContact O-CB 3.3Å; Q128-A132 PolarHBondContact O-N 3.24Å
129L97.6Very high97.5Very high77 Ų7771.3 Ų71.340%0.40336%0.363SS..Hα-helixtrans-68.5-55-179.1178.261.4000110.4F127 W131 A132 Q133 F177F127-L129 VanDerWaalsContact C-N 3.27Å; F127-L129 PolarHBondContact O-N 3.27Å; L129-W131 VanDerWaalsContact C-N 3.26Å; L129-W131 PolarHBondContact O-N 3.12Å; L129-A132 PolarHBondContact O-N 3.47Å; L129-Q133 HydrophobicContact CD1-CG 4.25Å; L129-Q133 WeakPolarHBondContact O-CB 3.46Å; L129-Q133 VanDerWaalsContact O-CG 3.29Å; L129-Q133 WeakPolarHBondContact O-CG 3.39Å; L129-Q133 PolarHBondContact O-N 3.03Å; L129-F177 HydrophobicContact CD1-CB 4.33Å; L129-F177 HydrophobicContact CD1-CD1 4.08Å
130T98.3Very high97.6Very high72 Ų7269.2 Ų69.244%0.44235%0.351SS..Hα-helixtrans-59.8-39179-52.10000111.4F127 Q133 N134F127-T130 PolarHBondContact O-N 2.86Å; T130-Q133 PolarHBondContact O-N 2.91Å; T130-N134 WeakPolarHBondContact O-CB 3.37Å; T130-N134 PolarHBondContact O-N 2.94Å; T130-N134 PolarHBondContact O-ND2 3.14Å
131W98.7Very high97.7Very high122 Ų12272.3 Ų72.346%0.46237%0.367SS..Hα-helixtrans-61.2-50.8175.2-178.4-83.1000112.2L114 L120 V123 F127 L129 Q133 N134 A135L114-W131 VanDerWaalsContact O-CD1 3.28Å; L114-W131 PolarHBondContact O-NE1 3.15Å; L120-W131 HydrophobicContact CD2-CG 4.43Å; V123-W131 HydrophobicContact CG1-CB 3.9Å; V123-W131 HydrophobicContact CG1-CD2 4.35Å; V123-W131 HydrophobicContact CG1-CE3 4.46Å; V123-W131 HydrophobicContact CG1-CG 4.11Å; V123-W131 HydrophobicContact CG2-CD2 3.77Å; V123-W131 HydrophobicContact CG2-CE3 4.2Å; V123-W131 HydrophobicContact CG2-CG 3.91Å; F127-W131 VanDerWaalsContact O-CB 3.27Å; F127-W131 WeakPolarHBondContact O-CB 3.42Å; F127-W131 PolarHBondContact O-N 3.08Å; L129-W131 VanDerWaalsContact C-N 3.26Å; L129-W131 PolarHBondContact O-N 3.12Å; W131-Q133 VanDerWaalsContact C-N 3.32Å; W131-Q133 PolarHBondContact O-N 2.94Å; W131-N134 PolarHBondContact O-N 3.41Å; W131-A135 PolarHBondContact O-N 3.22Å
132A98.6Very high97.8Very high0 Ų069 Ų690%036%0.361CS..Hα-helixtrans-60.8-43.417800000111.5Q115 L120 Q128 L129 A135 I136 F177Q115-A132 HydrophobicContact CB-CB 3.95Å; L120-A132 HydrophobicContact CD1-CB 4.28Å; L120-A132 HydrophobicContact CD2-CB 4.12Å; Q128-A132 WeakPolarHBondContact O-CB 3.3Å; Q128-A132 PolarHBondContact O-N 3.24Å; L129-A132 PolarHBondContact O-N 3.47Å; A132-A135 PolarHBondContact O-N 3.14Å; A132-I136 WeakPolarHBondContact O-CB 3.4Å; A132-I136 WeakPolarHBondContact O-CD1 3.35Å; A132-I136 WeakPolarHBondContact O-CG1 3.42Å; A132-I136 PolarHBondContact O-N 3.02Å; A132-F177 HydrophobicContact CB-CD1 3.76Å; A132-F177 HydrophobicContact CB-CD2 3.92Å; A132-F177 HydrophobicContact CB-CE1 3.79Å; A132-F177 HydrophobicContact CB-CE2 3.92Å; A132-F177 HydrophobicContact CB-CG 3.83Å; A132-F177 HydrophobicContact CB-CZ 3.87Å
133Q98.8Very high97.9Very high45 Ų4560.8 Ų60.821%0.2132%0.322CS..Hα-helixtrans-59.9-49.2176.9-72.8176-27.800111.4L129 T130 W131 A135 I136 I137 F177 V179L129-Q133 HydrophobicContact CD1-CG 4.25Å; L129-Q133 WeakPolarHBondContact O-CB 3.46Å; L129-Q133 VanDerWaalsContact O-CG 3.29Å; L129-Q133 WeakPolarHBondContact O-CG 3.39Å; L129-Q133 PolarHBondContact O-N 3.03Å; T130-Q133 PolarHBondContact O-N 2.91Å; W131-Q133 VanDerWaalsContact C-N 3.32Å; W131-Q133 PolarHBondContact O-N 2.94Å; Q133-A135 PolarHBondContact O-N 2.76Å; Q133-I136 PolarHBondContact O-N 3.27Å; Q133-I137 HydrophobicContact CB-CD1 4.36Å; Q133-I137 WeakPolarHBondContact O-CB 3.27Å; Q133-I137 WeakPolarHBondContact O-CD1 3.41Å; Q133-I137 WeakPolarHBondContact O-CG1 3.47Å; Q133-I137 PolarHBondContact O-N 3.22Å; Q133-F177 HydrophobicContact CG-CB 4.4Å; Q133-F177 WeakPolarHBondContact CG-O 3.42Å; Q133-F177 PolarHBondContact NE2-O 3.21Å; Q133-V179 HydrophobicContact CB-CG2 4.24Å; Q133-V179 HydrophobicContact CG-CG2 3.93Å
134N98.7Very high98Very high95 Ų9560 Ų6051%0.50832%0.316SS..Hα-helixtrans-62.4-41.9-179.2-72.2-16.8000112.6T130 W131 I136 S138T130-N134 WeakPolarHBondContact O-CB 3.37Å; T130-N134 PolarHBondContact O-N 2.94Å; T130-N134 PolarHBondContact O-ND2 3.14Å; W131-N134 PolarHBondContact O-N 3.41Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 2.78Å; N134-S138 VanDerWaalsContact O-CB 3.27Å; N134-S138 WeakPolarHBondContact O-CB 3.45Å; N134-S138 PolarHBondContact O-N 3Å
135A98.8Very high98.2Very high11 Ų1165.4 Ų65.49%0.09133%0.334CS..Hα-helixtrans-61.3-43.1175.600000111.7L114 W131 A132 Q133 G139L114-A135 HydrophobicContact CB-CB 3.75Å; L114-A135 HydrophobicContact CD1-CB 4.11Å; W131-A135 PolarHBondContact O-N 3.22Å; A132-A135 PolarHBondContact O-N 3.14Å; Q133-A135 PolarHBondContact O-N 2.76Å; A135-G139 PolarHBondContact O-N 3.22Å; A135-G139 VanDerWaalsContact O-N 3.12Å
136I98.9Very high98.4Very high0 Ų059 Ų590%030%0.304CS..Hα-helixtrans-69.3-47.8179.2-66.3169.2000111.2I111 Q115 A132 Q133 N134 S138 G139 F140 A174 F177 V179I111-I136 HydrophobicContact CG2-CB 4.49Å; I111-I136 HydrophobicContact CG2-CG1 3.96Å; Q115-I136 HydrophobicContact CG-CD1 4.4Å; Q115-I136 HydrophobicContact CG-CG1 4.33Å; A132-I136 WeakPolarHBondContact O-CB 3.4Å; A132-I136 WeakPolarHBondContact O-CD1 3.35Å; A132-I136 WeakPolarHBondContact O-CG1 3.42Å; A132-I136 PolarHBondContact O-N 3.02Å; Q133-I136 PolarHBondContact O-N 3.27Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 2.78Å; I136-S138 PolarHBondContact O-N 2.86Å; I136-G139 PolarHBondContact O-N 3.14Å; I136-F140 HydrophobicContact CG2-CD1 4.33Å; I136-F140 HydrophobicContact CG2-CD2 4.03Å; I136-F140 HydrophobicContact CG2-CE1 4.37Å; I136-F140 HydrophobicContact CG2-CE2 4.07Å; I136-F140 HydrophobicContact CG2-CG 4.18Å; I136-F140 HydrophobicContact CG2-CZ 4.25Å; I136-F140 WeakPolarHBondContact O-CB 3.31Å; I136-F140 PolarHBondContact O-N 3.22Å; I136-A174 HydrophobicContact CG2-CB 3.7Å; I136-F177 HydrophobicContact CD1-CB 4.39Å; I136-F177 HydrophobicContact CD1-CD2 3.67Å; I136-F177 HydrophobicContact CD1-CE2 4.43Å; I136-F177 HydrophobicContact CD1-CG 4.44Å; I136-V179 HydrophobicContact CB-CG2 4.16Å; I136-V179 HydrophobicContact CD1-CG2 4.35Å; I136-V179 HydrophobicContact CG2-CB 4.43Å; I136-V179 HydrophobicContact CG2-CG1 4.19Å; I136-V179 HydrophobicContact CG2-CG2 4Å
137I98.9Very high98.6Very high62 Ų6251.5 Ų51.532%0.31827%0.269SS..Hα-helixtrans-58.7-48.1179.4-71.1164.4000110.2Q133 G139 F140 N141 V179 Y184Q133-I137 HydrophobicContact CB-CD1 4.36Å; Q133-I137 WeakPolarHBondContact O-CB 3.27Å; Q133-I137 WeakPolarHBondContact O-CD1 3.41Å; Q133-I137 WeakPolarHBondContact O-CG1 3.47Å; Q133-I137 PolarHBondContact O-N 3.22Å; I137-G139 VanDerWaalsContact C-N 3.35Å; I137-G139 PolarHBondContact O-N 3.33Å; I137-F140 PolarHBondContact O-N 3.49Å; I137-N141 WeakPolarHBondContact O-CB 3.05Å; I137-N141 PolarHBondContact O-N 3.03Å; I137-N141 PolarHBondContact O-ND2 3.2Å; I137-N141 PolarHBondContact O-OD1 3.3Å; I137-V179 HydrophobicContact CG1-CG1 3.87Å; I137-Y184 PolarHBondContact O-OH 3.08Å
138S98.8Very high98.7Very high84 Ų8451.9 Ų51.959%0.58727%0.273SS*.Hα-helixtrans-59.1-46.6177.8-179.70000111.7N134 I136 A142N134-S138 VanDerWaalsContact O-CB 3.27Å; N134-S138 WeakPolarHBondContact O-CB 3.45Å; N134-S138 PolarHBondContact O-N 3Å; I136-S138 PolarHBondContact O-N 2.86Å; S138-A142 PolarHBondContact O-N 2.98Å
139G98.9Very high98.7Very high10 Ų1053.4 Ų53.410%0.10329%0.291CS..Hα-helixtrans-65.7-41.7177.600000114A135 I136 I137 A142 L143A135-G139 PolarHBondContact O-N 3.22Å; A135-G139 VanDerWaalsContact O-N 3.12Å; I136-G139 PolarHBondContact O-N 3.14Å; I137-G139 VanDerWaalsContact C-N 3.35Å; I137-G139 PolarHBondContact O-N 3.33Å; G139-A142 PolarHBondContact O-N 3.01Å; G139-L143 VanDerWaalsContact O-CB 3.31Å; G139-L143 WeakPolarHBondContact O-CB 3.34Å; G139-L143 PolarHBondContact O-N 3.15Å
140F98.9Very high98.8Very high0 Ų050.9 Ų50.90%028%0.279CS..Hα-helixtrans-70.7-34.4179.3-81.213.6000111.9I111 I136 I137 A142 L143 E144 Q170 V171 A174 Y184 I187I111-F140 HydrophobicContact CD1-CD1 3.99Å; I111-F140 HydrophobicContact CD1-CE1 4.23Å; I136-F140 HydrophobicContact CG2-CD1 4.33Å; I136-F140 HydrophobicContact CG2-CD2 4.03Å; I136-F140 HydrophobicContact CG2-CE1 4.37Å; I136-F140 HydrophobicContact CG2-CE2 4.07Å; I136-F140 HydrophobicContact CG2-CG 4.18Å; I136-F140 HydrophobicContact CG2-CZ 4.25Å; I136-F140 WeakPolarHBondContact O-CB 3.31Å; I136-F140 PolarHBondContact O-N 3.22Å; I137-F140 PolarHBondContact O-N 3.49Å; F140-A142 VanDerWaalsContact C-N 3.28Å; F140-A142 PolarHBondContact O-N 3.46Å; F140-L143 HydrophobicContact CD1-CD2 4.36Å; F140-L143 HydrophobicContact CE1-CD2 4.44Å; F140-L143 PolarHBondContact O-N 3.06Å; F140-E144 VanDerWaalsContact O-CB 3.24Å; F140-E144 WeakPolarHBondContact O-CB 3.33Å; F140-E144 PolarHBondContact O-N 3.27Å; F140-Q170 HydrophobicContact CE1-CG 3.75Å; F140-Q170 HydrophobicContact CZ-CG 4.09Å; F140-V171 HydrophobicContact CE2-CG2 4.39Å; F140-V171 HydrophobicContact CZ-CG2 4.02Å; F140-A174 HydrophobicContact CE2-CB 3.66Å; F140-A174 HydrophobicContact CZ-CB 4.05Å; F140-Y184 HydrophobicContact CB-CD1 4.06Å; F140-Y184 HydrophobicContact CB-CD2 4.03Å; F140-Y184 HydrophobicContact CB-CE1 3.77Å; F140-Y184 HydrophobicContact CB-CE2 3.76Å; F140-Y184 HydrophobicContact CB-CG 4.19Å; F140-Y184 AromaticContact CD2-CD2 3.73Å; F140-Y184 HydrophobicContact CD2-CD2 3.73Å; F140-Y184 AromaticContact CD2-CE2 3.9Å; F140-Y184 HydrophobicContact CD2-CE2 3.9Å; F140-Y184 HydrophobicContact CD2-CG 4.36Å; F140-Y184 HydrophobicContact CG-CD2 4.39Å; F140-Y184 HydrophobicContact CG-CE2 4.37Å; F140-I187 HydrophobicContact CB-CD1 4.08Å; F140-I187 HydrophobicContact CD1-CD1 4.2Å; F140-I187 HydrophobicContact CD2-CD1 4.22Å; F140-I187 HydrophobicContact CE2-CG2 4.32Å; F140-I187 HydrophobicContact CG-CD1 3.93Å
141N98.9Very high98.8Very high73 Ų7349 Ų4939%0.3927%0.271SS..Hα-helixtrans-57.9-41171.2-70.8-9.4000111.8I137 Q145 Y184I137-N141 WeakPolarHBondContact O-CB 3.05Å; I137-N141 PolarHBondContact O-N 3.03Å; I137-N141 PolarHBondContact O-ND2 3.2Å; I137-N141 PolarHBondContact O-OD1 3.3Å; N141-Q145 WeakPolarHBondContact O-CG 3.38Å; N141-Q145 PolarHBondContact O-NE2 3.11Å; N141-Y184 WeakPolarHBondContact OD1-CE1 3.29Å; N141-Y184 PolarHBondContact OD1-OH 3.24Å
142A98.9Very high98.8Very high42 Ų4244.9 Ų44.935%0.34727%0.266SS..Hα-helixtrans-74.3-45.6176.500000111.9L106 S138 G139 F140 Q145 I146L106-A142 HydrophobicContact CD1-CB 4.23Å; S138-A142 PolarHBondContact O-N 2.98Å; G139-A142 PolarHBondContact O-N 3.01Å; F140-A142 VanDerWaalsContact C-N 3.28Å; F140-A142 PolarHBondContact O-N 3.46Å; A142-Q145 PolarHBondContact O-N 3.41Å; A142-I146 WeakPolarHBondContact O-CG1 3.45Å; A142-I146 PolarHBondContact O-N 3.34Å
143L98.9Very high98.8Very high0 Ų047.6 Ų47.60%028%0.283CS..Hα-helixtrans-62.5-44.7-178179.358.4000112.2I103 L106 I107 G139 F140 Q145 I146 L147 L167 I187I103-L143 HydrophobicContact CB-CD1 4.43Å; I103-L143 HydrophobicContact CG1-CD1 4.2Å; I103-L143 HydrophobicContact CG2-CD1 3.65Å; L106-L143 HydrophobicContact CD2-CB 4.01Å; I107-L143 HydrophobicContact CD1-CD2 3.91Å; I107-L143 HydrophobicContact CG1-CD2 4.05Å; G139-L143 VanDerWaalsContact O-CB 3.31Å; G139-L143 WeakPolarHBondContact O-CB 3.34Å; G139-L143 PolarHBondContact O-N 3.15Å; F140-L143 HydrophobicContact CD1-CD2 4.36Å; F140-L143 HydrophobicContact CE1-CD2 4.44Å; F140-L143 PolarHBondContact O-N 3.06Å; L143-Q145 VanDerWaalsContact C-N 3.27Å; L143-Q145 PolarHBondContact O-N 3.25Å; L143-I146 PolarHBondContact O-N 3.31Å; L143-L147 HydrophobicContact CD1-CD1 4.1Å; L143-L147 HydrophobicContact CD1-CD2 4.47Å; L143-L147 HydrophobicContact CD1-CG 4.04Å; L143-L147 HydrophobicContact CG-CD1 3.93Å; L143-L147 HydrophobicContact CG-CG 4.33Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.29Å; L143-L147 PolarHBondContact O-N 3.42Å; L143-L167 HydrophobicContact CD2-CD1 3.73Å; L143-I187 HydrophobicContact CB-CD1 4.14Å; L143-I187 HydrophobicContact CD2-CD1 3.91Å; L143-I187 HydrophobicContact CD2-CG1 4.29Å; L143-I187 HydrophobicContact CG-CD1 3.94Å; L143-I187 HydrophobicContact CG-CG1 4.3Å
144E98.9Very high98.8Very high17 Ų1747 Ų478%0.07928%0.279CS..Hα-helixtrans-58.8-39.3178.5-176.966-161.600111.6F140 L147 Q148 Y184 P185 T186 I187F140-E144 VanDerWaalsContact O-CB 3.24Å; F140-E144 WeakPolarHBondContact O-CB 3.33Å; F140-E144 PolarHBondContact O-N 3.27Å; E144-L147 PolarHBondContact O-N 2.96Å; E144-Q148 WeakPolarHBondContact O-CG 3.42Å; E144-Q148 PolarHBondContact O-N 2.87Å; E144-Q148 PolarHBondContact O-NE2 3.39Å; E144-Q148 PolarHBondContact OE1-NE2 3.23Å; E144-Y184 HydrophobicContact CB-CD1 3.98Å; E144-Y184 HydrophobicContact CG-CD1 4.24Å; E144-P185 VanDerWaalsContact OE1-CD 3.25Å; E144-P185 WeakPolarHBondContact OE1-CD 3.31Å; E144-T186 WeakPolarHBondContact OE1-CA 3.33Å; E144-T186 WeakPolarHBondContact OE1-CB 3.33Å; E144-T186 PolarHBondContact OE1-N 3.41Å; E144-T186 PolarHBondContact OE1-OG1 3.37Å; E144-T186 WeakPolarHBondContact OE2-CB 3.47Å; E144-T186 PolarHBondContact OE2-N 2.87Å; E144-I187 HydrophobicContact CB-CD1 4.14Å; E144-I187 VanDerWaalsContact OE2-CG1 3.29Å; E144-I187 WeakPolarHBondContact OE2-CG1 3.21Å; E144-I187 PolarHBondContact OE2-N 3.14Å
145Q98.8Very high98.8Very high144 Ų14442.5 Ų42.567%0.67326%0.255SS*.Hα-helixtrans-67.7-44.2175.4-72176.866.500112.2N141 A142 L143 L147 Q148N141-Q145 WeakPolarHBondContact O-CG 3.38Å; N141-Q145 PolarHBondContact O-NE2 3.11Å; A142-Q145 PolarHBondContact O-N 3.41Å; L143-Q145 VanDerWaalsContact C-N 3.27Å; L143-Q145 PolarHBondContact O-N 3.25Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.26Å; Q145-Q148 WeakPolarHBondContact O-CB 3.45Å; Q145-Q148 PolarHBondContact O-N 2.91Å
146I98.9Very high98.8Very high38 Ų3842.7 Ų42.720%0.19526%0.255CS..Hα-helixtrans-59.4-42.3176.6-72.1164.9000110.7M102 I103 L106 A142 L143 Q148 S149 T150M102-I146 HydrophobicContact CE-CD1 4.49Å; M102-I146 HydrophobicContact CE-CG2 3.61Å; I103-I146 HydrophobicContact CD1-CG2 4.16Å; I103-I146 HydrophobicContact CG1-CG2 3.91Å; L106-I146 HydrophobicContact CD1-CD1 3.54Å; A142-I146 WeakPolarHBondContact O-CG1 3.45Å; A142-I146 PolarHBondContact O-N 3.34Å; L143-I146 PolarHBondContact O-N 3.31Å; I146-Q148 PolarHBondContact O-N 3.46Å; I146-S149 PolarHBondContact O-N 3.43Å; I146-S149 VanDerWaalsContact O-N 3.08Å; I146-S149 PolarHBondContact O-OG 3Å; I146-T150 HydrophobicContact CG2-CG2 4.38Å; I146-T150 PolarHBondContact O-N 2.93Å; I146-T150 PolarHBondContact O-OG1 2.89Å
147L98.9Very high98.8Very high1 Ų143.8 Ų43.81%0.00527%0.266CS..Hα-helixtrans-63.6-26.5-178.9-70.5171.4000112.8I103 L143 E144 Q145 S149 T150 A151 C155 T186 I187 I190I103-L147 HydrophobicContact CD1-CD2 4.05Å; L143-L147 HydrophobicContact CD1-CD1 4.1Å; L143-L147 HydrophobicContact CD1-CD2 4.47Å; L143-L147 HydrophobicContact CD1-CG 4.04Å; L143-L147 HydrophobicContact CG-CD1 3.93Å; L143-L147 HydrophobicContact CG-CG 4.33Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.29Å; L143-L147 PolarHBondContact O-N 3.42Å; E144-L147 PolarHBondContact O-N 2.96Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.26Å; L147-S149 PolarHBondContact O-N 3.4Å; L147-S149 VanDerWaalsContact O-N 3.12Å; L147-T150 WeakPolarHBondContact CA-OG1 3.46Å; L147-T150 PolarHBondContact O-N 3.24Å; L147-A151 HydrophobicContact CB-CB 4.25Å; L147-A151 HydrophobicContact CD2-CB 4.26Å; L147-A151 WeakPolarHBondContact O-CB 3.45Å; L147-A151 PolarHBondContact O-N 3.4Å; L147-C155 HydrophobicContact CD2-CB 3.99Å; L147-T186 HydrophobicContact CB-CG2 3.87Å; L147-I187 HydrophobicContact CD1-CG1 3.58Å; L147-I190 HydrophobicContact CD1-CD1 4.23Å; L147-I190 HydrophobicContact CD2-CD1 4.17Å
148Q98.7Very high98.7Very high128 Ų12846 Ų4660%0.59828%0.279SS*.Hα-helixtrans-58.7-26.7174.2-57.9-47-61.800113.2E144 Q145 I146 T186E144-Q148 WeakPolarHBondContact O-CG 3.42Å; E144-Q148 PolarHBondContact O-N 2.87Å; E144-Q148 PolarHBondContact O-NE2 3.39Å; E144-Q148 PolarHBondContact OE1-NE2 3.23Å; Q145-Q148 WeakPolarHBondContact O-CB 3.45Å; Q145-Q148 PolarHBondContact O-N 2.91Å; I146-Q148 PolarHBondContact O-N 3.46Å; Q148-T186 PolarHBondContact NE2-OG1 2.94Å
149S98Very high98.7Very high101 Ų10146.7 Ų46.771%0.70627%0.272SS*.Hα-helixtrans-103.7-14.6-177.767.60000114.3I146 L147I146-S149 PolarHBondContact O-N 3.43Å; I146-S149 VanDerWaalsContact O-N 3.08Å; I146-S149 PolarHBondContact O-OG 3Å; L147-S149 PolarHBondContact O-N 3.4Å; L147-S149 VanDerWaalsContact O-N 3.12Å
150T98.8Very high98.7Very high23 Ų2347.4 Ų47.414%0.14128%0.275CS..Hα-helixtrans-117.8-30.7-170.249.30000113.2I146 L147 C155 V156 G157I146-T150 HydrophobicContact CG2-CG2 4.38Å; I146-T150 PolarHBondContact O-N 2.93Å; I146-T150 PolarHBondContact O-OG1 2.89Å; L147-T150 WeakPolarHBondContact CA-OG1 3.46Å; L147-T150 PolarHBondContact O-N 3.24Å; T150-C155 CarbonylContact C-O 3.48Å; T150-C155 PolarHBondContact OG1-O 2.66Å; T150-V156 WeakPolarHBondContact O-CA 3.24Å; T150-G157 PolarHBondContact O-N 2.8Å
151A98.7Very high98.7Very high34 Ų3447.7 Ų47.728%0.28128%0.276SS..BIsolated β-bridgetrans-75.3142.4-173.400000112.7L147 Y154 C155 T186 I190L147-A151 HydrophobicContact CB-CB 4.25Å; L147-A151 HydrophobicContact CD2-CB 4.26Å; L147-A151 WeakPolarHBondContact O-CB 3.45Å; L147-A151 PolarHBondContact O-N 3.4Å; A151-Y154 VanDerWaalsContact CA-O 3.24Å; A151-Y154 WeakPolarHBondContact CA-O 3.15Å; A151-Y154 WeakPolarHBondContact CB-O 3.21Å; A151-C155 WeakPolarHBondContact CA-O 3.36Å; A151-C155 PolarHBondContact N-O 2.82Å; A151-T186 HydrophobicContact CB-CG2 4.21Å; A151-I190 HydrophobicContact CB-CD1 3.89Å
152G98.3Very high98.7Very high35 Ų3544.3 Ų44.336%0.36126%0.258SS..SBendtrans-121.6-112.1159.900000108.4Y154 G157 R193G152-Y154 VanDerWaalsContact C-N 3.25Å; G152-Y154 PolarHBondContact N-O 3.39Å; G152-Y154 VanDerWaalsContact N-O 3.16Å; G152-Y154 PolarHBondContact O-N 2.87Å; G152-G157 CarbonylContact C-O 3.58Å; G152-G157 WeakPolarHBondContact CA-O 3.29Å; G152-G157 PolarHBondContact N-O 3.4Å; G152-R193 PolarHBondContact O-NH1 2.98Å; G152-R193 VanDerWaalsContact O-NH1 3.07Å
153T98.6Very high98.7Very high56 Ų5642.3 Ų42.334%0.34424%0.242SC..SBendtrans-68.5-23.2169.6-50.60000113G157 D158 R193T153-G157 PolarHBondContact N-O 3.5Å; T153-D158 WeakPolarHBondContact CB-OD1 3.49Å; T153-D158 PolarHBondContact N-OD1 2.96Å; T153-D158 PolarHBondContact OG1-OD1 3.1Å; T153-R193 PolarHBondContact O-NH1 3.18Å
154Y98.9Very high98.7Very high34 Ų3442.3 Ų42.313%0.13324%0.242CC..SBendtrans-137.8-169.7178.5-62.9-63.7000110.5A151 G152 V156 G157 D158 V160 D164 R193 L194 L197A151-Y154 VanDerWaalsContact CA-O 3.24Å; A151-Y154 WeakPolarHBondContact CA-O 3.15Å; A151-Y154 WeakPolarHBondContact CB-O 3.21Å; G152-Y154 VanDerWaalsContact C-N 3.25Å; G152-Y154 PolarHBondContact N-O 3.39Å; G152-Y154 VanDerWaalsContact N-O 3.16Å; G152-Y154 PolarHBondContact O-N 2.87Å; Y154-V156 PolarHBondContact O-N 3.37Å; Y154-G157 PolarHBondContact N-O 2.95Å; Y154-D158 WeakPolarHBondContact CD2-O 3.49Å; Y154-D158 WeakPolarHBondContact CE2-O 3.49Å; Y154-V160 HydrophobicContact CD1-CG2 4.15Å; Y154-V160 HydrophobicContact CD2-CG2 4.03Å; Y154-V160 HydrophobicContact CE1-CG2 3.9Å; Y154-V160 HydrophobicContact CE2-CG2 3.76Å; Y154-V160 HydrophobicContact CG-CG2 4.21Å; Y154-D164 WeakPolarHBondContact CB-OD1 3.29Å; Y154-R193 HydrophobicContact CE1-CB 4.45Å; Y154-L194 HydrophobicContact CD1-CD2 3.43Å; Y154-L194 VanDerWaalsContact CD1-CD2 3.43Å; Y154-L194 HydrophobicContact CD1-CG 3.97Å; Y154-L194 HydrophobicContact CE1-CD2 3.53Å; Y154-L194 HydrophobicContact CE1-CG 4.15Å; Y154-L194 HydrophobicContact CG-CD2 4.46Å; Y154-L197 HydrophobicContact CE1-CD1 4.29Å
155C98.9Very high98.7Very high0 Ų041.5 Ų41.50%024%0.238CC..SBendtrans-55.7-35.5-177.9-79.80000113.7I103 L147 T150 A151 A163 D164I103-C155 HydrophobicContact CD1-CB 4.4Å; L147-C155 HydrophobicContact CD2-CB 3.99Å; T150-C155 CarbonylContact C-O 3.48Å; T150-C155 PolarHBondContact OG1-O 2.66Å; A151-C155 WeakPolarHBondContact CA-O 3.36Å; A151-C155 PolarHBondContact N-O 2.82Å; C155-A163 HydrophobicContact CB-CB 3.63Å; C155-D164 WeakPolarHBondContact CB-OD1 3.45Å; C155-D164 PolarHBondContact N-OD1 2.92Å; C155-D164 PolarHBondContact SG-OD1 2.89Å; C155-D164 VanDerWaalsContact SG-OD1 3.33Å
156V98.9Very high98.7Very high15 Ų1534.7 Ų34.79%0.09121%0.206CC..SBendtrans-135.199.2178.4-176.20000110K96 V100 I103 T150 Y154K96-V156 HydrophobicContact CB-CG1 4.31Å; V100-V156 HydrophobicContact CB-CG2 4.47Å; V100-V156 HydrophobicContact CG2-CB 3.8Å; V100-V156 HydrophobicContact CG2-CG1 4.05Å; V100-V156 HydrophobicContact CG2-CG2 3.66Å; I103-V156 HydrophobicContact CD1-CG2 3.82Å; T150-V156 WeakPolarHBondContact O-CA 3.24Å; Y154-V156 PolarHBondContact O-N 3.37Å
157G98.6Very high98.7Very high22 Ų2232.9 Ų32.923%0.22720%0.197CC..BIsolated β-bridgetrans66.2-141.8-17600000113T150 G152 T153 Y154T150-G157 PolarHBondContact O-N 2.8Å; G152-G157 CarbonylContact C-O 3.58Å; G152-G157 WeakPolarHBondContact CA-O 3.29Å; G152-G157 PolarHBondContact N-O 3.4Å; T153-G157 PolarHBondContact N-O 3.5Å; Y154-G157 PolarHBondContact N-O 2.95Å
158D98.7Very high98.8Very high110 Ų11032.9 Ų32.959%0.58820%0.197SC*.THydrogen-bonded Turntrans-111.87.3-165.8-59.2-51.1000115.4T153 Y154T153-D158 WeakPolarHBondContact CB-OD1 3.49Å; T153-D158 PolarHBondContact N-OD1 2.96Å; T153-D158 PolarHBondContact OG1-OD1 3.1Å; Y154-D158 WeakPolarHBondContact CD2-O 3.49Å; Y154-D158 WeakPolarHBondContact CE2-O 3.49Å
159E98.4Very high98.8Very high98 Ų9826.8 Ų26.846%0.45817%0.168SC..SBendtrans-119.4149.1176.7-70.2171.4-127.800111R88 T161R88-E159 IonicContact CZ-OE1 3.5Å; R88-E159 IonicContact CZ-OE2 2.69Å; R88-E159 IonicContact NE-OE2 3.12Å; R88-E159 PolarHBondContact NE-OE2 3.31Å; R88-E159 IonicContact NH2-OE1 2.67Å; R88-E159 PolarHBondContact NH2-OE1 3.25Å; R88-E159 IonicContact NH2-OE2 2.9Å; R88-E159 PolarHBondContact NH2-OE2 2.87Å; E159-T161 PolarHBondContact O-N 3.18Å
160V98.9Very high98.8Very high25 Ų2522 Ų2215%0.15214%0.135CC..  trans-66.4132.2175.9177.20000109.5L27 Y154 D164 L165 L194 L197 F200L27-V160 HydrophobicContact CD1-CG1 4Å; Y154-V160 HydrophobicContact CD1-CG2 4.15Å; Y154-V160 HydrophobicContact CD2-CG2 4.03Å; Y154-V160 HydrophobicContact CE1-CG2 3.9Å; Y154-V160 HydrophobicContact CE2-CG2 3.76Å; Y154-V160 HydrophobicContact CG-CG2 4.21Å; V160-D164 HydrophobicContact CG1-CB 4.09Å; V160-L165 HydrophobicContact CG1-CD1 3.91Å; V160-L194 HydrophobicContact CG1-CD2 4.41Å; V160-L194 HydrophobicContact CG2-CD2 3.96Å; V160-L197 HydrophobicContact CG2-CD1 3.75Å; V160-F200 HydrophobicContact CG1-CE2 4.25Å; V160-F200 HydrophobicContact CG1-CZ 4.26Å
161T98.9Very high98.8Very high6 Ų621 Ų214%0.03713%0.129CC..  trans-131.2171.8-179.267.10000111.7L89 V100 E159 A163 D164 L165L89-T161 CarbonylContact O-C 3.55Å; L89-T161 VanDerWaalsContact O-CA 3.24Å; L89-T161 WeakPolarHBondContact O-CA 3.45Å; L89-T161 WeakPolarHBondContact O-CB 3.41Å; V100-T161 HydrophobicContact CG2-CG2 3.83Å; E159-T161 PolarHBondContact O-N 3.18Å; T161-A163 PolarHBondContact O-N 3.13Å; T161-A163 PolarHBondContact OG1-N 3.42Å; T161-D164 PolarHBondContact N-OD2 3.05Å; T161-D164 VanDerWaalsContact O-CB 3.32Å; T161-D164 WeakPolarHBondContact O-CB 3.03Å; T161-D164 PolarHBondContact O-N 3.33Å; T161-D164 PolarHBondContact OG1-OD2 2.85Å; T161-L165 WeakPolarHBondContact O-CD1 3.41Å; T161-L165 PolarHBondContact O-N 3.31Å
162M98.9Very high98.8Very high2 Ų220.8 Ų20.81%0.0113%0.127CC..Hα-helixtrans-52.3-28.1174.5-176.2169.269.600114L74 I77 E78 L89 L90 V100 R101 D164 L165 C166L74-M162 HydrophobicContact CD2-CG 4.33Å; L74-M162 HydrophobicContact CD2-SD 4.03Å; I77-M162 HydrophobicContact CB-SD 4.05Å; I77-M162 HydrophobicContact CG2-CB 4.36Å; I77-M162 HydrophobicContact CG2-CG 3.88Å; I77-M162 HydrophobicContact CG2-SD 3.63Å; E78-M162 HydrophobicContact CG-SD 4.37Å; L89-M162 PolarHBondContact O-N 3.04Å; L90-M162 HydrophobicContact CD2-CB 4.3Å; L90-M162 HydrophobicContact CD2-CE 4.27Å; V100-M162 HydrophobicContact CG1-CB 3.88Å; R101-M162 HydrophobicContact CG-CE 4.13Å; M162-D164 VanDerWaalsContact C-N 3.33Å; M162-D164 PolarHBondContact O-N 3.34Å; M162-L165 WeakPolarHBondContact O-CB 3.25Å; M162-L165 PolarHBondContact O-N 2.98Å; M162-C166 PolarHBondContact O-N 3.32Å; M162-C166 VanDerWaalsContact O-N 3.14Å; M162-C166 PolarHBondContact O-SG 2.95Å
163A98.9Very high98.8Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-61.4-42.217500000111.6V100 I103 S104 C155 T161 C166 L167V100-A163 HydrophobicContact CG1-CB 4.13Å; I103-A163 HydrophobicContact CB-CB 3.9Å; I103-A163 HydrophobicContact CG2-CB 3.63Å; S104-A163 PolarHBondContact OG-N 2.62Å; C155-A163 HydrophobicContact CB-CB 3.63Å; T161-A163 PolarHBondContact O-N 3.13Å; T161-A163 PolarHBondContact OG1-N 3.42Å; A163-C166 WeakPolarHBondContact O-CB 3.05Å; A163-C166 PolarHBondContact O-N 3.04Å; A163-C166 VanDerWaalsContact O-N 3.15Å; A163-L167 PolarHBondContact O-N 2.77Å
164D98.9Very high98.8Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-68-38.4178.9-57.5-71.3000111.9Y154 C155 V160 T161 M162 C166 L167 V168 L194Y154-D164 WeakPolarHBondContact CB-OD1 3.29Å; C155-D164 WeakPolarHBondContact CB-OD1 3.45Å; C155-D164 PolarHBondContact N-OD1 2.92Å; C155-D164 PolarHBondContact SG-OD1 2.89Å; C155-D164 VanDerWaalsContact SG-OD1 3.33Å; V160-D164 HydrophobicContact CG1-CB 4.09Å; T161-D164 PolarHBondContact N-OD2 3.05Å; T161-D164 VanDerWaalsContact O-CB 3.32Å; T161-D164 WeakPolarHBondContact O-CB 3.03Å; T161-D164 PolarHBondContact O-N 3.33Å; T161-D164 PolarHBondContact OG1-OD2 2.85Å; M162-D164 VanDerWaalsContact C-N 3.33Å; M162-D164 PolarHBondContact O-N 3.34Å; D164-C166 PolarHBondContact O-N 2.84Å; D164-L167 PolarHBondContact O-N 3.1Å; D164-V168 PolarHBondContact O-N 3.14Å; D164-L194 HydrophobicContact CB-CD1 3.64Å; D164-L194 HydrophobicContact CB-CD2 3.8Å; D164-L194 HydrophobicContact CB-CG 4.39Å
165L98.9Very high98.8Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-61.1-30.9173.7-77.270.6000111.3R20 I23 A24 L27 I77 L89 V160 T161 M162 P169R20-L165 WeakPolarHBondContact CG-O 3.44Å; I23-L165 HydrophobicContact CB-CD2 4.49Å; I23-L165 HydrophobicContact CB-CG 4.17Å; I23-L165 HydrophobicContact CG2-CD1 4.34Å; I23-L165 HydrophobicContact CG2-CD2 4.29Å; I23-L165 HydrophobicContact CG2-CG 3.72Å; A24-L165 HydrophobicContact CB-CD2 3.64Å; L27-L165 HydrophobicContact CD1-CD1 3.85Å; L27-L165 HydrophobicContact CD1-CG 4.41Å; I77-L165 HydrophobicContact CD1-CD2 4.27Å; I77-L165 HydrophobicContact CG2-CD2 4.47Å; L89-L165 HydrophobicContact CD1-CD2 4.02Å; L89-L165 HydrophobicContact CD2-CD1 4.06Å; L89-L165 HydrophobicContact CD2-CD2 4.29Å; V160-L165 HydrophobicContact CG1-CD1 3.91Å; T161-L165 WeakPolarHBondContact O-CD1 3.41Å; T161-L165 PolarHBondContact O-N 3.31Å; M162-L165 WeakPolarHBondContact O-CB 3.25Å; M162-L165 PolarHBondContact O-N 2.98Å; L165-P169 WeakPolarHBondContact O-CD 3.24Å; L165-P169 VanDerWaalsContact O-CG 3.31Å; L165-P169 WeakPolarHBondContact O-CG 3.31Å
166C98.9Very high98.7Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-82.7-36.5175.2-64.10000112.8I107 M162 A163 D164 Q170I107-C166 HydrophobicContact CB-CB 4.17Å; I107-C166 HydrophobicContact CD1-CB 3.92Å; I107-C166 HydrophobicContact CG2-CB 4.01Å; M162-C166 PolarHBondContact O-N 3.32Å; M162-C166 VanDerWaalsContact O-N 3.14Å; M162-C166 PolarHBondContact O-SG 2.95Å; A163-C166 WeakPolarHBondContact O-CB 3.05Å; A163-C166 PolarHBondContact O-N 3.04Å; A163-C166 VanDerWaalsContact O-N 3.15Å; D164-C166 PolarHBondContact O-N 2.84Å; C166-Q170 WeakPolarHBondContact O-CB 3.45Å; C166-Q170 PolarHBondContact O-N 3.14Å
167L98.9Very high98.7Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-61.7-56.6-177.4-175.473.2000111.7I107 L143 A163 D164 Q170 V171 I187 I190 L194I107-L167 HydrophobicContact CD1-CB 4.44Å; I107-L167 HydrophobicContact CD1-CD1 4.44Å; L143-L167 HydrophobicContact CD2-CD1 3.73Å; A163-L167 PolarHBondContact O-N 2.77Å; D164-L167 PolarHBondContact O-N 3.1Å; L167-Q170 CarbonylContact O-C 3.43Å; L167-Q170 WeakPolarHBondContact O-CA 3.4Å; L167-Q170 WeakPolarHBondContact O-CB 3.43Å; L167-Q170 PolarHBondContact O-N 3.37Å; L167-V171 HydrophobicContact CD1-CG2 4.18Å; L167-V171 HydrophobicContact CG-CG2 4.12Å; L167-V171 WeakPolarHBondContact O-CG2 3.31Å; L167-V171 PolarHBondContact O-N 3.22Å; L167-I187 HydrophobicContact CD1-CG1 4.3Å; L167-I187 HydrophobicContact CD1-CG2 4.1Å; L167-I190 HydrophobicContact CD2-CB 3.97Å; L167-I190 HydrophobicContact CD2-CG2 3.58Å; L167-L194 HydrophobicContact CD2-CD1 4.35Å
168V98.9Very high98.7Very high1 Ų132.2 Ų32.21%0.00616%0.155CC..Hα-helixtrans-57.8-49.5-171.6171.70000112.4W19 D164 Q170 V171 A172 L194 L195 F200W19-V168 HydrophobicContact CH2-CG1 3.76Å; W19-V168 HydrophobicContact CZ2-CG1 3.83Å; W19-V168 HydrophobicContact CZ3-CG1 4.34Å; D164-V168 PolarHBondContact O-N 3.14Å; V168-Q170 PolarHBondContact O-N 3.3Å; V168-V171 PolarHBondContact O-N 2.85Å; V168-A172 PolarHBondContact O-N 3.03Å; V168-L194 HydrophobicContact CG2-CB 3.58Å; V168-L194 HydrophobicContact CG2-CD1 3.53Å; V168-L194 HydrophobicContact CG2-CG 4.21Å; V168-L195 HydrophobicContact CG1-CD2 3.76Å; V168-L195 HydrophobicContact CG1-CG 4.43Å; V168-F200 HydrophobicContact CB-CD1 3.91Å; V168-F200 HydrophobicContact CB-CE1 3.9Å; V168-F200 HydrophobicContact CG1-CD1 3.96Å; V168-F200 HydrophobicContact CG1-CE1 4.47Å; V168-F200 HydrophobicContact CG2-CD1 3.71Å; V168-F200 HydrophobicContact CG2-CE1 3.55Å
169P98.9Very high98.7Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-64.4-25.5176.8-23.436.3000113.9S16 W19 R20 I23 L165 N173S16-P169 WeakPolarHBondContact CB-O 3.35Å; S16-P169 WeakPolarHBondContact O-CB 3.18Å; W19-P169 HydrophobicContact CB-CB 4.1Å; W19-P169 HydrophobicContact CB-CG 3.86Å; W19-P169 HydrophobicContact CD2-CB 4.25Å; W19-P169 HydrophobicContact CD2-CG 3.92Å; W19-P169 HydrophobicContact CE3-CB 3.85Å; W19-P169 HydrophobicContact CE3-CG 4Å; W19-P169 HydrophobicContact CG-CB 4.41Å; W19-P169 HydrophobicContact CG-CG 3.91Å; R20-P169 HydrophobicContact CG-CG 4.08Å; I23-P169 HydrophobicContact CD1-CG 4.08Å; L165-P169 WeakPolarHBondContact O-CD 3.24Å; L165-P169 VanDerWaalsContact O-CG 3.31Å; L165-P169 WeakPolarHBondContact O-CG 3.31Å; P169-N173 PolarHBondContact O-N 3.15Å
170Q98.9Very high98.7Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-79.8-35.9177.4-170.559.727.700112.2I107 F140 C166 L167 V168 A172 N173 A174I107-Q170 HydrophobicContact CG2-CB 3.71Å; I107-Q170 HydrophobicContact CG2-CG 3.85Å; F140-Q170 HydrophobicContact CE1-CG 3.75Å; F140-Q170 HydrophobicContact CZ-CG 4.09Å; C166-Q170 WeakPolarHBondContact O-CB 3.45Å; C166-Q170 PolarHBondContact O-N 3.14Å; L167-Q170 CarbonylContact O-C 3.43Å; L167-Q170 WeakPolarHBondContact O-CA 3.4Å; L167-Q170 WeakPolarHBondContact O-CB 3.43Å; L167-Q170 PolarHBondContact O-N 3.37Å; V168-Q170 PolarHBondContact O-N 3.3Å; Q170-A172 VanDerWaalsContact C-N 3.35Å; Q170-N173 WeakPolarHBondContact O-CB 3.33Å; Q170-N173 PolarHBondContact O-N 2.99Å; Q170-A174 PolarHBondContact O-N 3.21Å
171V98.9Very high98.6Very high4 Ų427.6 Ų27.62%0.02414%0.135CC..Hα-helixtrans-63.4-42.7171.5176.40000110.4F140 L167 V168 N173 A174 E175 I187 N191F140-V171 HydrophobicContact CE2-CG2 4.39Å; F140-V171 HydrophobicContact CZ-CG2 4.02Å; L167-V171 HydrophobicContact CD1-CG2 4.18Å; L167-V171 HydrophobicContact CG-CG2 4.12Å; L167-V171 WeakPolarHBondContact O-CG2 3.31Å; L167-V171 PolarHBondContact O-N 3.22Å; V168-V171 PolarHBondContact O-N 2.85Å; V171-N173 VanDerWaalsContact C-N 3.26Å; V171-N173 PolarHBondContact O-N 2.96Å; V171-A174 WeakPolarHBondContact O-CA 3.47Å; V171-A174 VanDerWaalsContact O-CB 3.29Å; V171-A174 WeakPolarHBondContact O-CB 3.21Å; V171-A174 PolarHBondContact O-N 2.92Å; V171-E175 WeakPolarHBondContact O-CG 3.37Å; V171-E175 PolarHBondContact O-N 3.09Å; V171-I187 HydrophobicContact CG2-CG2 3.63Å; V171-N191 HydrophobicContact CG1-CB 4.33Å; V171-N191 HydrophobicContact CG2-CB 4.27Å
172A98.8Very high98.5Very high29 Ų2932.7 Ų32.724%0.2417%0.166CC..Hα-helixtrans-61.3-32.9173.900000113.2W19 V168 Q170 R176W19-A172 HydrophobicContact CE3-CB 4.5Å; W19-A172 HydrophobicContact CH2-CB 4.41Å; W19-A172 HydrophobicContact CZ3-CB 3.61Å; V168-A172 PolarHBondContact O-N 3.03Å; Q170-A172 VanDerWaalsContact C-N 3.35Å; A172-R176 WeakPolarHBondContact O-CB 3.45Å; A172-R176 PolarHBondContact O-N 3.09Å
173N98.7Very high98.5Very high6 Ų636 Ų363%0.03219%0.188CC..Hα-helixtrans-67.7-42170.6-77.8-13.9000111.6S16 Q115 P169 Q170 V171 E175 R176 F177S16-N173 VanDerWaalsContact CB-ND2 3.29Å; S16-N173 WeakPolarHBondContact CB-ND2 3.42Å; S16-N173 PolarHBondContact OG-ND2 2.7Å; Q115-N173 PolarHBondContact OE1-ND2 3.23Å; Q115-N173 VanDerWaalsContact OE1-ND2 3.09Å; P169-N173 PolarHBondContact O-N 3.15Å; Q170-N173 WeakPolarHBondContact O-CB 3.33Å; Q170-N173 PolarHBondContact O-N 2.99Å; V171-N173 VanDerWaalsContact C-N 3.26Å; V171-N173 PolarHBondContact O-N 2.96Å; N173-E175 VanDerWaalsContact C-N 3.35Å; N173-E175 PolarHBondContact O-N 3.28Å; N173-R176 WeakPolarHBondContact O-CB 3.4Å; N173-R176 PolarHBondContact O-N 3.44Å; N173-R176 PolarHBondContact OD1-NH1 2.69Å; N173-R176 PolarHBondContact OD1-NH2 3.29Å; N173-R176 VanDerWaalsContact OD1-NH2 3.09Å; N173-F177 WeakPolarHBondContact O-CD2 3.2Å; N173-F177 PolarHBondContact O-N 3.28Å
174A98.8Very high98.5Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-57.7-47.5176.200000111.4I136 F140 Q170 V171 R176 F177 K178 V179I136-A174 HydrophobicContact CG2-CB 3.7Å; F140-A174 HydrophobicContact CE2-CB 3.66Å; F140-A174 HydrophobicContact CZ-CB 4.05Å; Q170-A174 PolarHBondContact O-N 3.21Å; V171-A174 WeakPolarHBondContact O-CA 3.47Å; V171-A174 VanDerWaalsContact O-CB 3.29Å; V171-A174 WeakPolarHBondContact O-CB 3.21Å; V171-A174 PolarHBondContact O-N 2.92Å; A174-R176 PolarHBondContact O-N 3.15Å; A174-F177 CarbonylContact O-C 3.43Å; A174-F177 PolarHBondContact O-N 3.17Å; A174-K178 PolarHBondContact O-N 3.49Å; A174-K178 VanDerWaalsContact O-N 3.08Å; A174-V179 HydrophobicContact CB-CB 4.11Å; A174-V179 PolarHBondContact O-N 3.04Å
175E98.3Very high98.5Very high118 Ų11840.4 Ų40.455%0.55122%0.215SC*.Hα-helixtrans-60.1-44.8174.8-68.3173173.800111.7V171 N173 F177 K178V171-E175 WeakPolarHBondContact O-CG 3.37Å; V171-E175 PolarHBondContact O-N 3.09Å; N173-E175 VanDerWaalsContact C-N 3.35Å; N173-E175 PolarHBondContact O-N 3.28Å; E175-F177 VanDerWaalsContact C-N 3.25Å; E175-F177 PolarHBondContact O-N 2.85Å; E175-K178 PolarHBondContact O-N 3.3Å
176R97.3Very high98.5Very high82 Ų8241.7 Ų41.731%0.30922%0.223SC..Hα-helixtrans-57.8-38.5176-178.7-17972.3-142.5-3.1112.3A172 N173 A174 K178A172-R176 WeakPolarHBondContact O-CB 3.45Å; A172-R176 PolarHBondContact O-N 3.09Å; N173-R176 WeakPolarHBondContact O-CB 3.4Å; N173-R176 PolarHBondContact O-N 3.44Å; N173-R176 PolarHBondContact OD1-NH1 2.69Å; N173-R176 PolarHBondContact OD1-NH2 3.29Å; N173-R176 VanDerWaalsContact OD1-NH2 3.09Å; A174-R176 PolarHBondContact O-N 3.15Å; R176-K178 VanDerWaalsContact C-N 3.27Å
177F98.3Very high98.5Very high25 Ų2541.7 Ų41.711%0.1122%0.223CC..THydrogen-bonded Turntrans-88.912177.1-66.5-63.9000113.4Q115 L120 L129 A132 Q133 I136 N173 A174 E175 V179Q115-F177 HydrophobicContact CB-CE2 4.29Å; L120-F177 HydrophobicContact CD1-CE1 3.92Å; L120-F177 HydrophobicContact CD1-CZ 3.61Å; L129-F177 HydrophobicContact CD1-CB 4.33Å; L129-F177 HydrophobicContact CD1-CD1 4.08Å; A132-F177 HydrophobicContact CB-CD1 3.76Å; A132-F177 HydrophobicContact CB-CD2 3.92Å; A132-F177 HydrophobicContact CB-CE1 3.79Å; A132-F177 HydrophobicContact CB-CE2 3.92Å; A132-F177 HydrophobicContact CB-CG 3.83Å; A132-F177 HydrophobicContact CB-CZ 3.87Å; Q133-F177 HydrophobicContact CG-CB 4.4Å; Q133-F177 WeakPolarHBondContact CG-O 3.42Å; Q133-F177 PolarHBondContact NE2-O 3.21Å; I136-F177 HydrophobicContact CD1-CB 4.39Å; I136-F177 HydrophobicContact CD1-CD2 3.67Å; I136-F177 HydrophobicContact CD1-CE2 4.43Å; I136-F177 HydrophobicContact CD1-CG 4.44Å; N173-F177 WeakPolarHBondContact O-CD2 3.2Å; N173-F177 PolarHBondContact O-N 3.28Å; A174-F177 CarbonylContact O-C 3.43Å; A174-F177 PolarHBondContact O-N 3.17Å; E175-F177 VanDerWaalsContact C-N 3.25Å; E175-F177 PolarHBondContact O-N 2.85Å; F177-V179 HydrophobicContact CB-CG2 4.41Å; F177-V179 PolarHBondContact O-N 3.12Å
178K98.4Very high98.5Very high171 Ų17143.1 Ų43.174%0.74323%0.233SC*.THydrogen-bonded Turntrans56.534176.3-52.6177.2179-179.60112.9A174 E175 R176A174-K178 PolarHBondContact O-N 3.49Å; A174-K178 VanDerWaalsContact O-N 3.08Å; E175-K178 PolarHBondContact O-N 3.3Å; R176-K178 VanDerWaalsContact C-N 3.27Å
179V98.6Very high98.5Very high12 Ų1245.6 Ų45.67%0.07325%0.251CS..  trans-71.4129173.3174.30000108.6Q133 I136 I137 A174 F177 C181Q133-V179 HydrophobicContact CB-CG2 4.24Å; Q133-V179 HydrophobicContact CG-CG2 3.93Å; I136-V179 HydrophobicContact CB-CG2 4.16Å; I136-V179 HydrophobicContact CD1-CG2 4.35Å; I136-V179 HydrophobicContact CG2-CB 4.43Å; I136-V179 HydrophobicContact CG2-CG1 4.19Å; I136-V179 HydrophobicContact CG2-CG2 4Å; I137-V179 HydrophobicContact CG1-CG1 3.87Å; A174-V179 HydrophobicContact CB-CB 4.11Å; A174-V179 PolarHBondContact O-N 3.04Å; F177-V179 HydrophobicContact CB-CG2 4.41Å; F177-V179 PolarHBondContact O-N 3.12Å; V179-C181 PolarHBondContact O-N 3.36Å
180D97.9Very high98.5Very high97 Ų9745.6 Ų45.652%0.51925%0.251SS..  trans-66.2118.6172.1-179.813.8000109.9T182 P183 Y184D180-T182 VanDerWaalsContact CG-OG1 3.24Å; D180-T182 WeakPolarHBondContact OD1-CB 3.39Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.42Å; D180-T182 PolarHBondContact OD1-N 2.78Å; D180-T182 PolarHBondContact OD1-OG1 3.43Å; D180-T182 PolarHBondContact OD2-OG1 3.25Å; D180-P183 WeakPolarHBondContact O-CD 3.37Å; D180-Y184 WeakPolarHBondContact O-CE2 3.44Å
181C97.1Very high98.5Very high26 Ų2646.1 Ų46.118%0.17625%0.253CS..  trans-97.41.4179.8-64.90000113.4V179 P183 Y184 S188V179-C181 PolarHBondContact O-N 3.36Å; C181-P183 VanDerWaalsContact C-N 3.3Å; C181-Y184 HydrophobicContact CB-CD2 4.46Å; C181-Y184 PolarHBondContact O-N 3.35Å; C181-S188 PolarHBondContact O-OG 3.45Å
182T98.1Very high98.5Very high113 Ų11353.1 Ų53.169%0.69328%0.284SS*.THydrogen-bonded Turntrans-56.8-33.717665.50000114.1D180 Y184D180-T182 VanDerWaalsContact CG-OG1 3.24Å; D180-T182 WeakPolarHBondContact OD1-CB 3.39Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.42Å; D180-T182 PolarHBondContact OD1-N 2.78Å; D180-T182 PolarHBondContact OD1-OG1 3.43Å; D180-T182 PolarHBondContact OD2-OG1 3.25Å; T182-Y184 PolarHBondContact O-N 3.44Å
183P98.7Very high98.5Very high73 Ų7355.4 Ų55.447%0.47429%0.286SS..THydrogen-bonded Turntrans-73.4-4.6176.7-18.334.9000114.3D180 C181 P185D180-P183 WeakPolarHBondContact O-CD 3.37Å; C181-P183 VanDerWaalsContact C-N 3.3Å; P183-P185 WeakPolarHBondContact O-CD 3.26Å
184Y98.8Very high98.5Very high8 Ų855.1 Ų55.13%0.03128%0.284CS..  trans-120.364.7-172.3-45.1-56.1000112.1I137 F140 N141 E144 D180 C181 T182 T186 I187 S188I137-Y184 PolarHBondContact O-OH 3.08Å; F140-Y184 HydrophobicContact CB-CD1 4.06Å; F140-Y184 HydrophobicContact CB-CD2 4.03Å; F140-Y184 HydrophobicContact CB-CE1 3.77Å; F140-Y184 HydrophobicContact CB-CE2 3.76Å; F140-Y184 HydrophobicContact CB-CG 4.19Å; F140-Y184 AromaticContact CD2-CD2 3.73Å; F140-Y184 HydrophobicContact CD2-CD2 3.73Å; F140-Y184 AromaticContact CD2-CE2 3.9Å; F140-Y184 HydrophobicContact CD2-CE2 3.9Å; F140-Y184 HydrophobicContact CD2-CG 4.36Å; F140-Y184 HydrophobicContact CG-CD2 4.39Å; F140-Y184 HydrophobicContact CG-CE2 4.37Å; N141-Y184 WeakPolarHBondContact OD1-CE1 3.29Å; N141-Y184 PolarHBondContact OD1-OH 3.24Å; E144-Y184 HydrophobicContact CB-CD1 3.98Å; E144-Y184 HydrophobicContact CG-CD1 4.24Å; D180-Y184 WeakPolarHBondContact O-CE2 3.44Å; C181-Y184 HydrophobicContact CB-CD2 4.46Å; C181-Y184 PolarHBondContact O-N 3.35Å; T182-Y184 PolarHBondContact O-N 3.44Å; Y184-T186 VanDerWaalsContact C-N 3.33Å; Y184-T186 PolarHBondContact O-N 3.46Å; Y184-I187 HydrophobicContact CG-CD1 4.38Å; Y184-S188 VanDerWaalsContact O-CB 3.26Å; Y184-S188 WeakPolarHBondContact O-CB 3.34Å; Y184-S188 PolarHBondContact O-N 3.3Å; Y184-S188 PolarHBondContact O-OG 2.92Å
185P98.8Very high98.5Very high83 Ų8357.9 Ų57.954%0.53930%0.299SS..Hα-helixtrans-64.9-33.8-174.726.1-35.1000113.3E144 P183 S189E144-P185 VanDerWaalsContact OE1-CD 3.25Å; E144-P185 WeakPolarHBondContact OE1-CD 3.31Å; P183-P185 WeakPolarHBondContact O-CD 3.26Å; P185-S189 WeakPolarHBondContact O-CB 3.21Å; P185-S189 PolarHBondContact O-N 3.15Å
186T98.9Very high98.5Very high27 Ų2757.1 Ų57.117%0.16630%0.302CS..Hα-helixtrans-73.5-48.7-178.9-45.90000110.6E144 L147 Q148 A151 Y184 S188 S189 I190E144-T186 WeakPolarHBondContact OE1-CA 3.33Å; E144-T186 WeakPolarHBondContact OE1-CB 3.33Å; E144-T186 PolarHBondContact OE1-N 3.41Å; E144-T186 PolarHBondContact OE1-OG1 3.37Å; E144-T186 WeakPolarHBondContact OE2-CB 3.47Å; E144-T186 PolarHBondContact OE2-N 2.87Å; L147-T186 HydrophobicContact CB-CG2 3.87Å; Q148-T186 PolarHBondContact NE2-OG1 2.94Å; A151-T186 HydrophobicContact CB-CG2 4.21Å; Y184-T186 VanDerWaalsContact C-N 3.33Å; Y184-T186 PolarHBondContact O-N 3.46Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 PolarHBondContact O-N 2.9Å; T186-S189 PolarHBondContact O-N 3.38Å; T186-I190 HydrophobicContact CG2-CD1 3.97Å; T186-I190 WeakPolarHBondContact O-CG1 3.21Å; T186-I190 PolarHBondContact O-N 3.37Å
187I98.9Very high98.6Very high0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-52.3-51.3171-73.3170.6000110.2F140 L143 E144 L147 L167 V171 Y184 S189 I190 N191F140-I187 HydrophobicContact CB-CD1 4.08Å; F140-I187 HydrophobicContact CD1-CD1 4.2Å; F140-I187 HydrophobicContact CD2-CD1 4.22Å; F140-I187 HydrophobicContact CE2-CG2 4.32Å; F140-I187 HydrophobicContact CG-CD1 3.93Å; L143-I187 HydrophobicContact CB-CD1 4.14Å; L143-I187 HydrophobicContact CD2-CD1 3.91Å; L143-I187 HydrophobicContact CD2-CG1 4.29Å; L143-I187 HydrophobicContact CG-CD1 3.94Å; L143-I187 HydrophobicContact CG-CG1 4.3Å; E144-I187 HydrophobicContact CB-CD1 4.14Å; E144-I187 VanDerWaalsContact OE2-CG1 3.29Å; E144-I187 WeakPolarHBondContact OE2-CG1 3.21Å; E144-I187 PolarHBondContact OE2-N 3.14Å; L147-I187 HydrophobicContact CD1-CG1 3.58Å; L167-I187 HydrophobicContact CD1-CG1 4.3Å; L167-I187 HydrophobicContact CD1-CG2 4.1Å; V171-I187 HydrophobicContact CG2-CG2 3.63Å; Y184-I187 HydrophobicContact CG-CD1 4.38Å; I187-S189 VanDerWaalsContact C-N 3.34Å; I187-S189 PolarHBondContact O-N 3.29Å; I187-I190 PolarHBondContact O-N 3.37Å; I187-N191 VanDerWaalsContact O-CB 3.29Å; I187-N191 WeakPolarHBondContact O-CB 3.34Å; I187-N191 PolarHBondContact O-N 2.95Å
188S98.8Very high98.6Very high31 Ų3160.2 Ų60.222%0.21732%0.322CS..Hα-helixtrans-61.9-40.8-178.3-64.60000112.3C181 Y184 T186 K192C181-S188 PolarHBondContact O-OG 3.45Å; Y184-S188 VanDerWaalsContact O-CB 3.26Å; Y184-S188 WeakPolarHBondContact O-CB 3.34Å; Y184-S188 PolarHBondContact O-N 3.3Å; Y184-S188 PolarHBondContact O-OG 2.92Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 PolarHBondContact O-N 2.9Å; S188-K192 WeakPolarHBondContact O-CG 3.21Å; S188-K192 PolarHBondContact O-N 2.99Å; S188-K192 VanDerWaalsContact O-N 3.11Å
189S98.8Very high98.6Very high53 Ų5352.7 Ų52.737%0.37129%0.292SS..Hα-helixtrans-68.6-43179.5179.40000112.3P185 T186 I187 R193P185-S189 WeakPolarHBondContact O-CB 3.21Å; P185-S189 PolarHBondContact O-N 3.15Å; T186-S189 PolarHBondContact O-N 3.38Å; I187-S189 VanDerWaalsContact C-N 3.34Å; I187-S189 PolarHBondContact O-N 3.29Å; S189-R193 PolarHBondContact O-N 3.48Å; S189-R193 PolarHBondContact O-NE 3.48Å; S189-R193 PolarHBondContact OG-NH2 3.49Å
190I98.9Very high98.6Very high0 Ų052.1 Ų52.10%029%0.288CS..Hα-helixtrans-65.7-45.7176.2-65.8167.6000109.9L147 A151 L167 T186 I187 K192 R193 L194L147-I190 HydrophobicContact CD1-CD1 4.23Å; L147-I190 HydrophobicContact CD2-CD1 4.17Å; A151-I190 HydrophobicContact CB-CD1 3.89Å; L167-I190 HydrophobicContact CD2-CB 3.97Å; L167-I190 HydrophobicContact CD2-CG2 3.58Å; T186-I190 HydrophobicContact CG2-CD1 3.97Å; T186-I190 WeakPolarHBondContact O-CG1 3.21Å; T186-I190 PolarHBondContact O-N 3.37Å; I187-I190 PolarHBondContact O-N 3.37Å; I190-K192 VanDerWaalsContact C-N 3.33Å; I190-K192 PolarHBondContact O-N 3.23Å; I190-R193 WeakPolarHBondContact O-CB 3.37Å; I190-R193 PolarHBondContact O-N 3.47Å; I190-R193 VanDerWaalsContact O-N 3.1Å; I190-L194 HydrophobicContact CG2-CD1 3.63Å; I190-L194 HydrophobicContact CG2-CG 4.18Å; I190-L194 WeakPolarHBondContact O-CG 3.47Å; I190-L194 PolarHBondContact O-N 2.95Å
191N98.9Very high98.6Very high10 Ų1050.6 Ų50.65%0.05328%0.278CS..Hα-helixtrans-56.1-45.9178.5-176.965000112V171 I187 R193 L194 L195V171-N191 HydrophobicContact CG1-CB 4.33Å; V171-N191 HydrophobicContact CG2-CB 4.27Å; I187-N191 VanDerWaalsContact O-CB 3.29Å; I187-N191 WeakPolarHBondContact O-CB 3.34Å; I187-N191 PolarHBondContact O-N 2.95Å; N191-R193 VanDerWaalsContact C-N 3.34Å; N191-R193 PolarHBondContact O-N 3.29Å; N191-L194 PolarHBondContact O-N 3.22Å; N191-L195 WeakPolarHBondContact ND2-CD1 3.27Å; N191-L195 WeakPolarHBondContact O-CG 3.34Å; N191-L195 PolarHBondContact O-N 3.08Å
192K98.8Very high98.7Very high152 Ų15252.2 Ų52.266%0.66129%0.287SS*.Hα-helixtrans-59.5-42.3176.2-75.1175.3-177.6-179.90112.6S188 I190S188-K192 WeakPolarHBondContact O-CG 3.21Å; S188-K192 PolarHBondContact O-N 2.99Å; S188-K192 VanDerWaalsContact O-N 3.11Å; I190-K192 VanDerWaalsContact C-N 3.33Å; I190-K192 PolarHBondContact O-N 3.23Å
193R98.8Very high98.7Very high76 Ų7647 Ų4729%0.28726%0.255SS..Hα-helixtrans-65.6-36.4176.6-77.7172.5-84.2167-10.4112.5G152 T153 Y154 S189 I190 N191 V196G152-R193 PolarHBondContact O-NH1 2.98Å; G152-R193 VanDerWaalsContact O-NH1 3.07Å; T153-R193 PolarHBondContact O-NH1 3.18Å; Y154-R193 HydrophobicContact CE1-CB 4.45Å; S189-R193 PolarHBondContact O-N 3.48Å; S189-R193 PolarHBondContact O-NE 3.48Å; S189-R193 PolarHBondContact OG-NH2 3.49Å; I190-R193 WeakPolarHBondContact O-CB 3.37Å; I190-R193 PolarHBondContact O-N 3.47Å; I190-R193 VanDerWaalsContact O-N 3.1Å; N191-R193 VanDerWaalsContact C-N 3.34Å; N191-R193 PolarHBondContact O-N 3.29Å; R193-V196 WeakPolarHBondContact O-CG2 3.45Å
194L98.9Very high98.7Very high0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-73.3-38.6178.8-68.9166.7000112Y154 V160 D164 L167 V168 I190 N191 V196 L197 F200Y154-L194 HydrophobicContact CD1-CD2 3.43Å; Y154-L194 VanDerWaalsContact CD1-CD2 3.43Å; Y154-L194 HydrophobicContact CD1-CG 3.97Å; Y154-L194 HydrophobicContact CE1-CD2 3.53Å; Y154-L194 HydrophobicContact CE1-CG 4.15Å; Y154-L194 HydrophobicContact CG-CD2 4.46Å; V160-L194 HydrophobicContact CG1-CD2 4.41Å; V160-L194 HydrophobicContact CG2-CD2 3.96Å; D164-L194 HydrophobicContact CB-CD1 3.64Å; D164-L194 HydrophobicContact CB-CD2 3.8Å; D164-L194 HydrophobicContact CB-CG 4.39Å; L167-L194 HydrophobicContact CD2-CD1 4.35Å; V168-L194 HydrophobicContact CG2-CB 3.58Å; V168-L194 HydrophobicContact CG2-CD1 3.53Å; V168-L194 HydrophobicContact CG2-CG 4.21Å; I190-L194 HydrophobicContact CG2-CD1 3.63Å; I190-L194 HydrophobicContact CG2-CG 4.18Å; I190-L194 WeakPolarHBondContact O-CG 3.47Å; I190-L194 PolarHBondContact O-N 2.95Å; N191-L194 PolarHBondContact O-N 3.22Å; L194-V196 PolarHBondContact O-N 3.27Å; L194-L197 HydrophobicContact CD2-CD1 4.15Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 3.47Å; L194-F200 HydrophobicContact CB-CD1 4.34Å; L194-F200 HydrophobicContact CB-CE1 4.18Å; L194-F200 HydrophobicContact CB-CE2 4.36Å; L194-F200 HydrophobicContact CB-CG 4.49Å; L194-F200 HydrophobicContact CB-CZ 4.2Å; L194-F200 HydrophobicContact CD1-CZ 4.5Å; L194-F200 HydrophobicContact CD2-CE1 4.42Å; L194-F200 HydrophobicContact CD2-CE2 3.84Å; L194-F200 HydrophobicContact CD2-CZ 3.69Å; L194-F200 HydrophobicContact CG-CZ 4.35Å; L194-F200 WeakPolarHBondContact O-CB 3.48Å; L194-F200 WeakPolarHBondContact O-CD2 3.18Å; L194-F200 WeakPolarHBondContact O-CG 3.1Å
195L98.7Very high98.7Very high58 Ų5846.9 Ų46.930%0.30425%0.25SC..Hα-helixtrans-66.6-17.2-177.7-74.8174.1000114.5V168 N191 Q201V168-L195 HydrophobicContact CG1-CD2 3.76Å; V168-L195 HydrophobicContact CG1-CG 4.43Å; N191-L195 WeakPolarHBondContact ND2-CD1 3.27Å; N191-L195 WeakPolarHBondContact O-CG 3.34Å; N191-L195 PolarHBondContact O-N 3.08Å; L195-Q201 VanDerWaalsContact O-CG 3.3Å; L195-Q201 WeakPolarHBondContact O-CG 3.47Å; L195-Q201 PolarHBondContact O-NE2 3.21Å
196V98.5Very high98.7Very high103 Ų10344.6 Ų44.662%0.62424%0.235SC*.THydrogen-bonded Turntrans-83.4-11.8173.2-58.90000113.4R193 L194 Q201R193-V196 WeakPolarHBondContact O-CG2 3.45Å; L194-V196 PolarHBondContact O-N 3.27Å; V196-Q201 PolarHBondContact O-NE2 2.86Å
197L98.7Very high98.6Very high51 Ų5149.6 Ų49.627%0.26725%0.251SS..SBendtrans-79.1134.3179.1-57179.1000110.6Y154 V160 L194 A199 F200 Q201Y154-L197 HydrophobicContact CE1-CD1 4.29Å; V160-L197 HydrophobicContact CG2-CD1 3.75Å; L194-L197 HydrophobicContact CD2-CD1 4.15Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 3.47Å; L197-A199 VanDerWaalsContact C-N 3.27Å; L197-A199 PolarHBondContact O-N 3.29Å; L197-A199 VanDerWaalsContact O-N 3.16Å; L197-F200 HydrophobicContact CB-CD2 3.94Å; L197-F200 HydrophobicContact CD1-CD2 4.22Å; L197-F200 HydrophobicContact CD1-CE2 4.1Å; L197-F200 PolarHBondContact O-N 2.93Å; L197-Q201 PolarHBondContact O-N 2.99Å
198E98.6Very high98.6Very high120 Ų12050 Ų5056%0.56125%0.253SS*.Hα-helixtrans-51.4-44.1-176.1-174.662.4-163.600112.7F200 Q201 V202E198-F200 PolarHBondContact O-N 3.39Å; E198-Q201 PolarHBondContact O-N 2.94Å; E198-V202 HydrophobicContact CG-CG1 4.02Å; E198-V202 WeakPolarHBondContact O-CG2 3.44Å; E198-V202 PolarHBondContact O-N 2.9Å; E198-V202 WeakPolarHBondContact OE1-CG1 3.34Å
199A98.6Very high98.5Very high13 Ų1352.5 Ų52.511%0.10727%0.268CS..Hα-helixtrans-59.3-30.7179.800000113.5A26 L27 L197 T203A26-A199 HydrophobicContact CB-CB 4.05Å; L27-A199 HydrophobicContact CD2-CB 3.52Å; L27-A199 HydrophobicContact CG-CB 3.75Å; L197-A199 VanDerWaalsContact C-N 3.27Å; L197-A199 PolarHBondContact O-N 3.29Å; L197-A199 VanDerWaalsContact O-N 3.16Å; A199-T203 WeakPolarHBondContact O-CB 3.45Å; A199-T203 WeakPolarHBondContact O-CG2 3.33Å; A199-T203 PolarHBondContact O-OG1 2.84Å
200F98.7Very high98.5Very high0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-83-28.3175.4-70.3-99.4000112I23 V160 V168 L194 L197 E198 T203 H204I23-F200 HydrophobicContact CD1-CD1 3.63Å; I23-F200 HydrophobicContact CD1-CE1 3.65Å; I23-F200 HydrophobicContact CG1-CD1 4.02Å; I23-F200 HydrophobicContact CG1-CE1 4.24Å; I23-F200 HydrophobicContact CG2-CD1 4.14Å; I23-F200 HydrophobicContact CG2-CD2 4.22Å; I23-F200 HydrophobicContact CG2-CE1 3.84Å; I23-F200 HydrophobicContact CG2-CE2 3.92Å; I23-F200 HydrophobicContact CG2-CG 4.35Å; I23-F200 HydrophobicContact CG2-CZ 3.72Å; V160-F200 HydrophobicContact CG1-CE2 4.25Å; V160-F200 HydrophobicContact CG1-CZ 4.26Å; V168-F200 HydrophobicContact CB-CD1 3.91Å; V168-F200 HydrophobicContact CB-CE1 3.9Å; V168-F200 HydrophobicContact CG1-CD1 3.96Å; V168-F200 HydrophobicContact CG1-CE1 4.47Å; V168-F200 HydrophobicContact CG2-CD1 3.71Å; V168-F200 HydrophobicContact CG2-CE1 3.55Å; L194-F200 HydrophobicContact CB-CD1 4.34Å; L194-F200 HydrophobicContact CB-CE1 4.18Å; L194-F200 HydrophobicContact CB-CE2 4.36Å; L194-F200 HydrophobicContact CB-CG 4.49Å; L194-F200 HydrophobicContact CB-CZ 4.2Å; L194-F200 HydrophobicContact CD1-CZ 4.5Å; L194-F200 HydrophobicContact CD2-CE1 4.42Å; L194-F200 HydrophobicContact CD2-CE2 3.84Å; L194-F200 HydrophobicContact CD2-CZ 3.69Å; L194-F200 HydrophobicContact CG-CZ 4.35Å; L194-F200 WeakPolarHBondContact O-CB 3.48Å; L194-F200 WeakPolarHBondContact O-CD2 3.18Å; L194-F200 WeakPolarHBondContact O-CG 3.1Å; L197-F200 HydrophobicContact CB-CD2 3.94Å; L197-F200 HydrophobicContact CD1-CD2 4.22Å; L197-F200 HydrophobicContact CD1-CE2 4.1Å; L197-F200 PolarHBondContact O-N 2.93Å; E198-F200 PolarHBondContact O-N 3.39Å; F200-T203 PolarHBondContact O-OG1 2.97Å; F200-H204 PolarHBondContact O-N 2.98Å
201Q98.6Very high98.4Very high65 Ų6551.7 Ų51.730%0.30426%0.26SS..Hα-helixtrans-74.4-50.1177.4-64.7-174.70.600112.6L195 V196 L197 E198 T203 H204 R207L195-Q201 VanDerWaalsContact O-CG 3.3Å; L195-Q201 WeakPolarHBondContact O-CG 3.47Å; L195-Q201 PolarHBondContact O-NE2 3.21Å; V196-Q201 PolarHBondContact O-NE2 2.86Å; L197-Q201 PolarHBondContact O-N 2.99Å; E198-Q201 PolarHBondContact O-N 2.94Å; Q201-T203 PolarHBondContact O-N 3.44Å; Q201-H204 WeakPolarHBondContact O-CB 3.48Å; Q201-H204 PolarHBondContact O-N 3Å; Q201-H204 VanDerWaalsContact O-N 3.14Å; Q201-R207 WeakPolarHBondContact O-CD 3.5Å
202V98.2Very high98.3Very high61 Ų6153.1 Ų53.137%0.3727%0.27SS..Hα-helixtrans-65.8-23.1-179.3-57.80000112.6A26 E198 Q208A26-V202 HydrophobicContact CB-CG2 4.18Å; E198-V202 HydrophobicContact CG-CG1 4.02Å; E198-V202 WeakPolarHBondContact O-CG2 3.44Å; E198-V202 PolarHBondContact O-N 2.9Å; E198-V202 WeakPolarHBondContact OE1-CG1 3.34Å; V202-Q208 PolarHBondContact O-NE2 3.44Å
203T98.7Very high98.1Very high3 Ų351.3 Ų51.32%0.01827%0.272CS..THydrogen-bonded Turntrans-96.5-1.1-179.962.40000113.4W19 R22 I23 A26 A199 F200 Q201 Q208W19-T203 PolarHBondContact NE1-O 3.06Å; W19-T203 VanDerWaalsContact NE1-O 3.14Å; W19-T203 PolarHBondContact NE1-OG1 3.48Å; W19-T203 VanDerWaalsContact NE1-OG1 3.12Å; R22-T203 VanDerWaalsContact C-CG2 3.4Å; R22-T203 HydrophobicContact CB-CG2 3.79Å; R22-T203 PolarHBondContact NE-O 3.18Å; R22-T203 PolarHBondContact NH2-O 2.89Å; R22-T203 WeakPolarHBondContact O-CG2 3.38Å; I23-T203 VanDerWaalsContact CG1-OG1 3.28Å; I23-T203 WeakPolarHBondContact CG1-OG1 3.44Å; A26-T203 HydrophobicContact CB-CG2 3.61Å; A199-T203 WeakPolarHBondContact O-CB 3.45Å; A199-T203 WeakPolarHBondContact O-CG2 3.33Å; A199-T203 PolarHBondContact O-OG1 2.84Å; F200-T203 PolarHBondContact O-OG1 2.97Å; Q201-T203 PolarHBondContact O-N 3.44Å; T203-Q208 VanDerWaalsContact C-NE2 3.29Å; T203-Q208 PolarHBondContact O-NE2 2.9Å
204H98.7Very high97.9Very high61 Ų6155 Ų5528%0.28229%0.292SS..SBendtrans-57.6142-176.3-169-94.8000111.3W19 F200 Q201 C206 R207 Q208W19-H204 AromaticContact CH2-CD2 3.53Å; W19-H204 AromaticContact CH2-NE2 3.93Å; W19-H204 HydrophobicContact CZ2-CB 4.39Å; W19-H204 AromaticContact CZ2-CD2 3.59Å; F200-H204 PolarHBondContact O-N 2.98Å; Q201-H204 WeakPolarHBondContact O-CB 3.48Å; Q201-H204 PolarHBondContact O-N 3Å; Q201-H204 VanDerWaalsContact O-N 3.14Å; H204-C206 PolarHBondContact CE1-SG 3.34Å; H204-C206 WeakPolarHBondContact ND1-CB 3.5Å; H204-C206 PolarHBondContact ND1-N 3.05Å; H204-C206 VanDerWaalsContact ND1-N 3.14Å; H204-C206 PolarHBondContact O-N 2.88Å; H204-R207 PolarHBondContact O-N 3.48Å; H204-Q208 WeakPolarHBondContact O-CG 3.37Å; H204-Q208 PolarHBondContact O-NE2 2.8Å
205P98.5Very high97.6Very high18 Ų1858.4 Ų58.412%0.11731%0.31CS..G310 helixtrans-52.9-24.9177.9-31.337.7000115F13 W19 R207 T211F13-P205 HydrophobicContact CD2-CB 4.25Å; F13-P205 WeakPolarHBondContact CD2-O 3.47Å; F13-P205 VanDerWaalsContact O-CB 3.3Å; F13-P205 WeakPolarHBondContact O-CB 3.46Å; W19-P205 HydrophobicContact CD2-CG 3.94Å; W19-P205 HydrophobicContact CE3-CG 3.5Å; W19-P205 VanDerWaalsContact CE3-CG 3.5Å; W19-P205 VanDerWaalsContact CH2-CD 3.49Å; W19-P205 HydrophobicContact CH2-CG 4.17Å; W19-P205 VanDerWaalsContact CZ3-CD 3.47Å; W19-P205 HydrophobicContact CZ3-CG 3.61Å; P205-R207 VanDerWaalsContact C-N 3.31Å; P205-T211 WeakPolarHBondContact O-CG2 3.41Å; P205-T211 PolarHBondContact O-OG1 2.98Å
206C98.1Very high97.3Very high34 Ų3462.3 Ų62.323%0.2332%0.321CS..G310 helixtrans-81-5.2178.3-61.20000114.6H204 L215 R216 A217H204-C206 PolarHBondContact CE1-SG 3.34Å; H204-C206 WeakPolarHBondContact ND1-CB 3.5Å; H204-C206 PolarHBondContact ND1-N 3.05Å; H204-C206 VanDerWaalsContact ND1-N 3.14Å; H204-C206 PolarHBondContact O-N 2.88Å; C206-L215 WeakPolarHBondContact CB-O 3.29Å; C206-L215 PolarHBondContact SG-O 3.18Å; C206-R216 WeakPolarHBondContact O-CA 3.47Å; C206-A217 HydrophobicContact CB-CB 3.91Å
207R97.9Very high96.3Very high132 Ų13263.4 Ų63.450%0.49834%0.341SS..G310 helixtrans-121.625.2-176.2-63.9-171.7175.9174.5-0.8112.9Q201 H204 P205Q201-R207 WeakPolarHBondContact O-CD 3.5Å; H204-R207 PolarHBondContact O-N 3.48Å; P205-R207 VanDerWaalsContact C-N 3.31Å
208Q98.4Very high96.2Very high10 Ų1064.1 Ų64.15%0.04734%0.344CS..SBendtrans-98.5154.7-177.5-55.8-52.4-62.200111.2F13 V202 T203 H204 D210 T211F13-Q208 HydrophobicContact CB-CB 3.73Å; F13-Q208 HydrophobicContact CB-CG 4.01Å; V202-Q208 PolarHBondContact O-NE2 3.44Å; T203-Q208 VanDerWaalsContact C-NE2 3.29Å; T203-Q208 PolarHBondContact O-NE2 2.9Å; H204-Q208 WeakPolarHBondContact O-CG 3.37Å; H204-Q208 PolarHBondContact O-NE2 2.8Å; Q208-D210 PolarHBondContact O-N 2.89Å; Q208-D210 VanDerWaalsContact O-N 3.14Å; Q208-T211 WeakPolarHBondContact CA-OG1 3.5Å; Q208-T211 WeakPolarHBondContact CB-OG1 3.35Å; Q208-T211 PolarHBondContact N-OG1 3.19Å; Q208-T211 WeakPolarHBondContact O-CB 3.27Å; Q208-T211 PolarHBondContact O-N 3.42Å; Q208-T211 PolarHBondContact O-OG1 2.96Å
209P97.1Very high96.1Very high82 Ų8261.1 Ų61.153%0.53233%0.333SS..THydrogen-bonded Turntrans-55.6-33.9179.3-26.935.9000113.4R216P209-R216 PolarHBondContact O-NH2 2.8Å
210D97.7Very high96Very high33 Ų3363.8 Ų63.818%0.17635%0.345CS..THydrogen-bonded Turntrans-97.59.4-179.966.5-45.5000114.6Y12 F13 P36 Q208 P212Y12-D210 WeakPolarHBondContact CD2-OD2 3.37Å; F13-D210 WeakPolarHBondContact CB-OD1 3.22Å; F13-D210 PolarHBondContact N-OD1 3.17Å; F13-D210 PolarHBondContact N-OD2 3.2Å; P36-D210 HydrophobicContact CB-CB 3.58Å; P36-D210 HydrophobicContact CG-CB 3.82Å; Q208-D210 PolarHBondContact O-N 2.89Å; Q208-D210 VanDerWaalsContact O-N 3.14Å; D210-P212 VanDerWaalsContact O-CD 3.31Å; D210-P212 WeakPolarHBondContact O-CD 3.49Å
211T97.8Very high95.8Very high3 Ų367.5 Ų67.52%0.01837%0.366CS..  trans-63.6122.6170.3-530000109.4F13 P205 Q208 L215 R216F13-T211 HydrophobicContact CD2-CG2 4.38Å; P205-T211 WeakPolarHBondContact O-CG2 3.41Å; P205-T211 PolarHBondContact O-OG1 2.98Å; Q208-T211 WeakPolarHBondContact CA-OG1 3.5Å; Q208-T211 WeakPolarHBondContact CB-OG1 3.35Å; Q208-T211 PolarHBondContact N-OG1 3.19Å; Q208-T211 WeakPolarHBondContact O-CB 3.27Å; Q208-T211 PolarHBondContact O-N 3.42Å; Q208-T211 PolarHBondContact O-OG1 2.96Å; T211-L215 HydrophobicContact CG2-CB 3.96Å; T211-R216 HydrophobicContact CG2-CG 3.73Å; T211-R216 PolarHBondContact O-NE 3.35Å; T211-R216 PolarHBondContact O-NH2 3.35Å
212P96.3Very high95.6Very high41 Ų4167.7 Ų67.727%0.26637%0.37SS..  trans-55.1142.2171.8-2534.9000111.4F13 D210 E214 L215 R216F13-P212 HydrophobicContact CE1-CG 4.08Å; F13-P212 HydrophobicContact CZ-CG 3.87Å; D210-P212 VanDerWaalsContact O-CD 3.31Å; D210-P212 WeakPolarHBondContact O-CD 3.49Å; P212-E214 VanDerWaalsContact CB-CD 3.43Å; P212-E214 WeakPolarHBondContact CB-OE1 3.44Å; P212-E214 WeakPolarHBondContact CB-OE2 3.27Å; P212-E214 PolarHBondContact O-N 3.28Å; P212-E214 VanDerWaalsContact O-N 3.14Å; P212-L215 HydrophobicContact CG-CD1 4.27Å; P212-L215 PolarHBondContact O-N 3.16Å; P212-R216 PolarHBondContact O-N 2.88Å
213T94.9Very high95.5Very high114 Ų11468.1 Ų68.170%0.69937%0.37SS*.G310 helixtrans-54.2-38.4-172.5-54.70000112.5L215 R216T213-L215 PolarHBondContact O-N 3.43Å; T213-R216 PolarHBondContact O-N 3.32Å
214E94.6Very high95.2Very high153 Ų15372.8 Ų72.872%0.71540%0.395SS*.G310 helixtrans-69.9-13.8179.170-79.9-171.700114.6P212P212-E214 VanDerWaalsContact CB-CD 3.43Å; P212-E214 WeakPolarHBondContact CB-OE1 3.44Å; P212-E214 WeakPolarHBondContact CB-OE2 3.27Å; P212-E214 PolarHBondContact O-N 3.28Å; P212-E214 VanDerWaalsContact O-N 3.14Å
215L92.5Very high95Very high71 Ų7173.7 Ų73.737%0.37240%0.403SS..G310 helixtrans-108.43.3177.3-59.3-177.7000112.8F13 C206 T211 P212 T213F13-L215 HydrophobicContact CE2-CD1 3.89Å; F13-L215 HydrophobicContact CZ-CD1 4.05Å; C206-L215 WeakPolarHBondContact CB-O 3.29Å; C206-L215 PolarHBondContact SG-O 3.18Å; T211-L215 HydrophobicContact CG2-CB 3.96Å; P212-L215 HydrophobicContact CG-CD1 4.27Å; P212-L215 PolarHBondContact O-N 3.16Å; T213-L215 PolarHBondContact O-N 3.43Å
216R91.5Very high94.7Very high141 Ų14178.3 Ų78.353%0.53243%0.427SS..  trans-76137.7177.8-69.4-177.7-177.4-160.1-4.5110.2C206 P209 T211 P212 T213C206-R216 WeakPolarHBondContact O-CA 3.47Å; P209-R216 PolarHBondContact O-NH2 2.8Å; T211-R216 HydrophobicContact CG2-CG 3.73Å; T211-R216 PolarHBondContact O-NE 3.35Å; T211-R216 PolarHBondContact O-NH2 3.35Å; P212-R216 PolarHBondContact O-N 2.88Å; T213-R216 PolarHBondContact O-N 3.32Å
217A79.1Confident94.3Very high126 Ų12682.4 Ų82.4100%1.04145%0.445SS*.  trans-96.10176.500000111.2C206C206-A217 HydrophobicContact CB-CB 3.91Å

Retrieved 217 of 217 residues in 308.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).