G4LV38_SCHMA Loading...

Importin alpha, putative

AlphaFold DB , UniProt , Accession G4LV38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.6Low62.6Low228 Ų228123.5 Ų123.5100%1.12366%0.661SS**  0116.80-68.8171.175.700107.8
2N58.4Low63Low124 Ų124125.8 Ų125.866%0.66366%0.664SS**  trans-60.8141-167.3-86.6-47.7000112.8T4 V5N2-T4 PolarHBondContact O-N 3.3Å; N2-V5 PolarHBondContact O-N 3.31Å
3L67.4Low63.6Low137 Ų137120.4 Ų120.472%0.71764%0.635SS**Hα-helixtrans-49.8-31.2179.1-168.869.8000112.6V5 K6 I7L3-V5 VanDerWaalsContact C-N 3.33Å; L3-V5 PolarHBondContact O-N 3.47Å; L3-K6 PolarHBondContact O-N 3.48Å; L3-I7 PolarHBondContact O-N 3.43Å
4T64.5Low64.3Low103 Ų103117.1 Ų117.163%0.63262%0.624SS**Hα-helixtrans-58.4-35.8174.59.90000114N2 L8N2-T4 PolarHBondContact O-N 3.3Å; T4-L8 PolarHBondContact O-N 3.18Å; T4-L8 VanDerWaalsContact O-N 3.17Å
5V66.2Low65.1Low73 Ų73115 Ų11544%0.44262%0.617SS.*Hα-helixtrans-76.4-32.2-178.7-175.80000111.4N2 L3 L8 L9N2-V5 PolarHBondContact O-N 3.31Å; L3-V5 VanDerWaalsContact C-N 3.33Å; L3-V5 PolarHBondContact O-N 3.47Å; V5-L8 PolarHBondContact O-N 3.27Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.17Å; V5-L9 PolarHBondContact O-N 3.29Å
6K61.7Low65.8Low169 Ų169114.7 Ų114.774%0.73561%0.614SS**Hα-helixtrans-69.8-34.6174.9-90.9-176.5173.3-177.40112.7L3 S10L3-K6 PolarHBondContact O-N 3.48Å; K6-S10 PolarHBondContact O-N 3.09Å
7I62.3Low66.6Low105 Ų105113.8 Ų113.854%0.53861%0.608SS.*Hα-helixtrans-66.2-48.7173.5-65.7166.4000108.6L3 L9 S10 I13L3-I7 PolarHBondContact O-N 3.43Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.93Å; I7-S10 VanDerWaalsContact O-CB 3.29Å; I7-S10 WeakPolarHBondContact O-CB 3.31Å; I7-S10 PolarHBondContact O-N 2.82Å; I7-S10 VanDerWaalsContact O-N 3.08Å; I7-I13 HydrophobicContact CG2-CD1 4.19Å; I7-I13 WeakPolarHBondContact O-CD1 3.24Å
8L61.3Low67.3Low131 Ų131113.3 Ų113.369%0.68661%0.61SS**Hα-helixtrans-64-30.4-177.5-14684.1000114.5T4 V5T4-L8 PolarHBondContact O-N 3.18Å; T4-L8 VanDerWaalsContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 3.27Å
9L61.2Low68Low136 Ų136112.9 Ų112.971%0.71261%0.607SS**THydrogen-bonded Turntrans-883.8175.8-95.392.4000114.3V5 I7V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.17Å; V5-L9 PolarHBondContact O-N 3.29Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.93Å
10S63.4Low68.4Low47 Ų47112.5 Ų112.533%0.32960%0.603SS.*  trans-69.6127.8177.7-164.40000110K6 I7 Q12 I13K6-S10 PolarHBondContact O-N 3.09Å; I7-S10 VanDerWaalsContact O-CB 3.29Å; I7-S10 WeakPolarHBondContact O-CB 3.31Å; I7-S10 PolarHBondContact O-N 2.82Å; I7-S10 VanDerWaalsContact O-N 3.08Å; S10-Q12 PolarHBondContact O-N 3.24Å; S10-I13 PolarHBondContact O-N 3.22Å; S10-I13 VanDerWaalsContact O-N 3.16Å
11P68.3Low68.6Low106 Ų106113.6 Ų113.669%0.68860%0.604SS**THydrogen-bonded Turntrans-62-9.5-172.123.9-34.3000114.4
12Q67.6Low69.6Low151 Ų151104.8 Ų104.871%0.70657%0.572SS**Hα-helixtrans-82.7-22.6179.6-68.9178.3-16.300114.2S10 V15 L16S10-Q12 PolarHBondContact O-N 3.24Å; Q12-V15 PolarHBondContact O-N 3.11Å; Q12-L16 PolarHBondContact O-N 3.5Å; Q12-L16 VanDerWaalsContact O-N 3.13Å
13I70.8Confident70.4Confident55 Ų55106.2 Ų106.228%0.28257%0.572SS.*Hα-helixtrans-64-47.3-178.8-63.7-174.2000113.6I7 S10 V15 L16 I17I7-I13 HydrophobicContact CG2-CD1 4.19Å; I7-I13 WeakPolarHBondContact O-CD1 3.24Å; S10-I13 PolarHBondContact O-N 3.22Å; S10-I13 VanDerWaalsContact O-N 3.16Å; I13-V15 VanDerWaalsContact C-N 3.29Å; I13-V15 PolarHBondContact O-N 2.81Å; I13-L16 PolarHBondContact O-N 3.34Å; I13-I17 HydrophobicContact CG2-CD1 3.79Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 3.41Å; I13-I17 VanDerWaalsContact O-N 3.07Å
14P73.3Confident70.5Confident74 Ų74103.2 Ų103.248%0.48156%0.562SS.*Hα-helixtrans-65-34.3179.824.2-33.8000112.4I17 V18P14-I17 PolarHBondContact O-N 3.29Å; P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 3.42Å
15V76.1Confident71Confident86 Ų86101.5 Ų101.552%0.52155%0.554SS.*Hα-helixtrans-64.6-44.2176.7-178.60000110.7Q12 I13 I17 V18 I19Q12-V15 PolarHBondContact O-N 3.11Å; I13-V15 VanDerWaalsContact C-N 3.29Å; I13-V15 PolarHBondContact O-N 2.81Å; V15-I17 PolarHBondContact O-N 2.91Å; V15-V18 PolarHBondContact O-N 3.45Å; V15-I19 HydrophobicContact CG1-CD1 3.92Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.35Å
16L76.3Confident71.3Confident110 Ų110103.1 Ų103.158%0.57656%0.56SS**Hα-helixtrans-63.3-41.2177.9-160.478.2000111.8Q12 I13 I19 I20Q12-L16 PolarHBondContact O-N 3.5Å; Q12-L16 VanDerWaalsContact O-N 3.13Å; I13-L16 PolarHBondContact O-N 3.34Å; L16-I19 PolarHBondContact O-N 3.33Å; L16-I20 HydrophobicContact CD2-CD1 4.36Å; L16-I20 HydrophobicContact CG-CD1 4.08Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 2.78Å
17I79.2Confident71.7Confident99 Ų9996.9 Ų96.951%0.50854%0.537SS..Hα-helixtrans-62.1-45177.2-67.9167000110.9I13 P14 V15 I19 I20 H21I13-I17 HydrophobicContact CG2-CD1 3.79Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 3.41Å; I13-I17 VanDerWaalsContact O-N 3.07Å; P14-I17 PolarHBondContact O-N 3.29Å; V15-I17 PolarHBondContact O-N 2.91Å; I17-I19 VanDerWaalsContact C-N 3.35Å; I17-I19 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 3.42Å; I17-H21 WeakPolarHBondContact O-CB 3.48Å; I17-H21 PolarHBondContact O-N 3.47Å
18V79.9Confident72.2Confident105 Ų10594.4 Ų94.464%0.63653%0.53SS*.Hα-helixtrans-63.3-40.8178.3172.70000111.5P14 V15 H21 G22P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 3.42Å; V15-V18 PolarHBondContact O-N 3.45Å; V18-H21 PolarHBondContact O-N 3.45Å; V18-G22 PolarHBondContact O-N 3.23Å
19I79.8Confident72.8Confident107 Ų10795 Ų9555%0.54953%0.528SS..Hα-helixtrans-64.2-44.6176.9-67.8168.2000111V15 L16 I17 G22 F23V15-I19 HydrophobicContact CG1-CD1 3.92Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 3.35Å; L16-I19 PolarHBondContact O-N 3.33Å; I17-I19 VanDerWaalsContact C-N 3.35Å; I17-I19 PolarHBondContact O-N 3.32Å; I19-G22 PolarHBondContact O-N 3.3Å; I19-F23 WeakPolarHBondContact O-CB 3.26Å; I19-F23 PolarHBondContact O-N 2.85Å
20I77.2Confident73.2Confident104 Ų10494.1 Ų94.153%0.53352%0.524SS..Hα-helixtrans-63.8-44.2178.6-68.3165.8000110.8L16 I17 F23 C24L16-I20 HydrophobicContact CD2-CD1 4.36Å; L16-I20 HydrophobicContact CG-CD1 4.08Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 2.78Å; I17-I20 PolarHBondContact O-N 3.42Å; I20-F23 PolarHBondContact O-N 2.97Å; I20-C24 WeakPolarHBondContact O-CB 3.38Å; I20-C24 PolarHBondContact O-N 3.36Å
21H72.9Confident73.8Confident136 Ų13697 Ų9763%0.6353%0.534SS*.Hα-helixtrans-64.4-41.6177-119.9-112.6000112I17 V18 C24 S25I17-H21 WeakPolarHBondContact O-CB 3.48Å; I17-H21 PolarHBondContact O-N 3.47Å; V18-H21 PolarHBondContact O-N 3.45Å; H21-C24 PolarHBondContact O-N 3.16Å; H21-S25 PolarHBondContact O-N 3.03Å
22G74.6Confident74Confident43 Ų4396.5 Ų96.544%0.44353%0.526SS..Hα-helixtrans-61.1-43175.500000112.7V18 I19 L26V18-G22 PolarHBondContact O-N 3.23Å; I19-G22 PolarHBondContact O-N 3.3Å; G22-L26 WeakPolarHBondContact O-CB 3.28Å; G22-L26 PolarHBondContact O-N 3.37Å
23F73.5Confident74.3Confident153 Ų15391 Ų9167%0.67151%0.51SS*.Hα-helixtrans-66.5-38.4176.5-167.7-98.1000112.4I19 I20 L26 S27I19-F23 WeakPolarHBondContact O-CB 3.26Å; I19-F23 PolarHBondContact O-N 2.85Å; I20-F23 PolarHBondContact O-N 2.97Å; F23-L26 PolarHBondContact O-N 3.41Å; F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.05Å; F23-S27 PolarHBondContact O-OG 3.31Å
24C69.9Low74.2Confident74 Ų7495.9 Ų95.950%0.553%0.53SS..Hα-helixtrans-68-39.2178.3-156.40000112.5I20 H21 S27 S28I20-C24 WeakPolarHBondContact O-CB 3.38Å; I20-C24 PolarHBondContact O-N 3.36Å; H21-C24 PolarHBondContact O-N 3.16Å; C24-S27 WeakPolarHBondContact CA-OG 3.43Å; C24-S27 PolarHBondContact O-OG 2.98Å; C24-S28 WeakPolarHBondContact O-CB 3.31Å; C24-S28 PolarHBondContact O-N 3.47Å; C24-S28 VanDerWaalsContact O-N 3.09Å; C24-S28 PolarHBondContact O-OG 3.43Å
25S74.7Confident74.6Confident67 Ų6796.6 Ų96.647%0.46953%0.527SS..Hα-helixtrans-68.5-43.3173.9-77.20000112.2H21 S28 H29H21-S25 PolarHBondContact O-N 3.03Å; S25-S28 PolarHBondContact O-N 3.01Å; S25-H29 PolarHBondContact O-CD2 3.1Å; S25-H29 VanDerWaalsContact O-CD2 3.27Å; S25-H29 PolarHBondContact O-N 3.36Å
26L72.9Confident74.4Confident108 Ų108101.7 Ų101.757%0.56554%0.537SS*.Hα-helixtrans-64.4-43.2179.6-173.863.3000111.8G22 F23 H29 L30G22-L26 WeakPolarHBondContact O-CB 3.28Å; G22-L26 PolarHBondContact O-N 3.37Å; F23-L26 PolarHBondContact O-N 3.41Å; L26-H29 PolarHBondContact O-N 3.35Å; L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.19Å
27S71.2Confident74.3Confident37 Ų37100.5 Ų100.526%0.25954%0.536SS..Hα-helixtrans-64.1-38.8175.249.80000112.4F23 C24 H29 L30 I31F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.05Å; F23-S27 PolarHBondContact O-OG 3.31Å; C24-S27 WeakPolarHBondContact CA-OG 3.43Å; C24-S27 PolarHBondContact O-OG 2.98Å; S27-H29 PolarHBondContact O-N 2.9Å; S27-L30 PolarHBondContact O-N 2.95Å; S27-I31 WeakPolarHBondContact O-CB 3.32Å; S27-I31 WeakPolarHBondContact O-CD1 3.49Å; S27-I31 WeakPolarHBondContact O-CG1 3.48Å; S27-I31 PolarHBondContact O-N 3.28Å
28S72.3Confident74.3Confident54 Ų54101.4 Ų101.438%0.37854%0.537SS..Hα-helixtrans-62.4-41.8175.6-59.40000112.2C24 S25 N32C24-S28 WeakPolarHBondContact O-CB 3.31Å; C24-S28 PolarHBondContact O-N 3.47Å; C24-S28 VanDerWaalsContact O-N 3.09Å; C24-S28 PolarHBondContact O-OG 3.43Å; S25-S28 PolarHBondContact O-N 3.01Å; S28-N32 VanDerWaalsContact O-CB 3.3Å; S28-N32 WeakPolarHBondContact O-CB 3.47Å; S28-N32 PolarHBondContact O-N 2.85Å; S28-N32 PolarHBondContact O-ND2 3.46Å
29H73.3Confident74.3Confident143 Ų143102.8 Ų102.866%0.66253%0.531SS*.Hα-helixtrans-67.1-38.2175.2-80.5-67.4000112.8S25 L26 S27 G33S25-H29 PolarHBondContact O-CD2 3.1Å; S25-H29 VanDerWaalsContact O-CD2 3.27Å; S25-H29 PolarHBondContact O-N 3.36Å; L26-H29 PolarHBondContact O-N 3.35Å; S27-H29 PolarHBondContact O-N 2.9Å; H29-G33 PolarHBondContact O-N 2.92Å
30L70.4Confident74.2Confident118 Ų118104 Ų10462%0.61853%0.533SS*.Hα-helixtrans-66.7-43.6175.8-70.2172.6000112L26 S27 G33 F34L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.19Å; S27-L30 PolarHBondContact O-N 2.95Å; L30-G33 PolarHBondContact O-N 3.04Å; L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.43Å
31I74.5Confident74.4Confident107 Ų107103.2 Ų103.255%0.54953%0.533SS..Hα-helixtrans-64.7-45.8177.3-66.6162.4000110.4S27 G33 F34 Q35S27-I31 WeakPolarHBondContact O-CB 3.32Å; S27-I31 WeakPolarHBondContact O-CD1 3.49Å; S27-I31 WeakPolarHBondContact O-CG1 3.48Å; S27-I31 PolarHBondContact O-N 3.28Å; I31-G33 PolarHBondContact O-N 3Å; I31-F34 PolarHBondContact O-N 3.28Å; I31-Q35 VanDerWaalsContact O-CB 3.31Å; I31-Q35 WeakPolarHBondContact O-CB 3.49Å; I31-Q35 PolarHBondContact O-N 3.49Å
32N73.8Confident75.1Confident95 Ų95101.7 Ų101.751%0.50853%0.527SS..Hα-helixtrans-63.5-40.8178.1-73.8-35000112S28 W36S28-N32 VanDerWaalsContact O-CB 3.3Å; S28-N32 WeakPolarHBondContact O-CB 3.47Å; S28-N32 PolarHBondContact O-N 2.85Å; S28-N32 PolarHBondContact O-ND2 3.46Å; N32-W36 WeakPolarHBondContact O-CB 3.4Å; N32-W36 PolarHBondContact O-N 2.87Å
33G73.5Confident75.6Confident37 Ų37104.2 Ų104.238%0.38153%0.529SS..Hα-helixtrans-63.4-44.9174.600000112.5H29 L30 I31 Q35 W36 C37H29-G33 PolarHBondContact O-N 2.92Å; L30-G33 PolarHBondContact O-N 3.04Å; I31-G33 PolarHBondContact O-N 3Å; G33-Q35 PolarHBondContact O-N 3.35Å; G33-W36 PolarHBondContact O-N 2.91Å; G33-C37 PolarHBondContact O-N 3.14Å
34F69.8Low76Confident157 Ų15799.5 Ų99.569%0.68951%0.512SS*.Hα-helixtrans-65.2-40.4178.8-154.8-95.1000112L30 I31 C37 F38L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.43Å; I31-F34 PolarHBondContact O-N 3.28Å; F34-C37 PolarHBondContact O-N 3.01Å; F34-F38 PolarHBondContact O-N 3.1Å
35Q79.8Confident76.8Confident89 Ų89101.3 Ų101.342%0.41651%0.513SS..Hα-helixtrans-63.4-42.7175.8-16466.929.700111.4I31 G33 F38 Y39I31-Q35 VanDerWaalsContact O-CB 3.31Å; I31-Q35 WeakPolarHBondContact O-CB 3.49Å; I31-Q35 PolarHBondContact O-N 3.49Å; G33-Q35 PolarHBondContact O-N 3.35Å; Q35-F38 PolarHBondContact O-N 3.07Å; Q35-Y39 HydrophobicContact CG-CD2 3.85Å; Q35-Y39 HydrophobicContact CG-CE2 3.68Å; Q35-Y39 VanDerWaalsContact O-CD2 3.22Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.48Å; Q35-Y39 PolarHBondContact O-N 2.97Å
36W72.8Confident77.7Confident193 Ų193105 Ų10573%0.73152%0.521SS*.Hα-helixtrans-62.8-42.5174.6-95.897.9000112.7N32 G33 F38 Y39 F40N32-W36 WeakPolarHBondContact O-CB 3.4Å; N32-W36 PolarHBondContact O-N 2.87Å; G33-W36 PolarHBondContact O-N 2.91Å; W36-F38 VanDerWaalsContact C-N 3.35Å; W36-F38 PolarHBondContact O-N 3.41Å; W36-Y39 PolarHBondContact O-N 3.02Å; W36-F40 WeakPolarHBondContact O-CB 3.45Å; W36-F40 PolarHBondContact O-N 2.7Å
37C74Confident78.5Confident84 Ų84104.5 Ų104.557%0.56852%0.519SS*.Hα-helixtrans-61.4-42174.9-79.20000112.3G33 F34 F40 T41G33-C37 PolarHBondContact O-N 3.14Å; F34-C37 PolarHBondContact O-N 3.01Å; C37-F40 PolarHBondContact O-N 2.96Å; C37-T41 WeakPolarHBondContact O-CB 3.33Å; C37-T41 PolarHBondContact O-N 3.24Å; C37-T41 PolarHBondContact O-OG1 3.44Å
38F79.8Confident79.5Confident118 Ų118107 Ų10752%0.51853%0.532SS..Hα-helixtrans-66.4-44.2178.4-163.7-95.7000111.7F34 Q35 W36 T41 Q42F34-F38 PolarHBondContact O-N 3.1Å; Q35-F38 PolarHBondContact O-N 3.07Å; W36-F38 VanDerWaalsContact C-N 3.35Å; W36-F38 PolarHBondContact O-N 3.41Å; F38-T41 PolarHBondContact O-N 3.02Å; F38-Q42 HydrophobicContact CD1-CG 4.12Å; F38-Q42 HydrophobicContact CE1-CG 3.93Å; F38-Q42 WeakPolarHBondContact O-CB 3.45Å; F38-Q42 WeakPolarHBondContact O-CG 3.49Å; F38-Q42 PolarHBondContact O-N 2.94Å
39Y80Confident80.4Confident134 Ų134108 Ų10853%0.52553%0.533SS..Hα-helixtrans-62.5-43.1175.1-85.5-64.3000112.5Q35 W36 T41 Q42 I43Q35-Y39 HydrophobicContact CG-CD2 3.85Å; Q35-Y39 HydrophobicContact CG-CE2 3.68Å; Q35-Y39 VanDerWaalsContact O-CD2 3.22Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.48Å; Q35-Y39 PolarHBondContact O-N 2.97Å; W36-Y39 PolarHBondContact O-N 3.02Å; Y39-T41 VanDerWaalsContact C-N 3.33Å; Y39-T41 PolarHBondContact O-N 3.03Å; Y39-Q42 PolarHBondContact O-N 2.82Å; Y39-I43 WeakPolarHBondContact O-CB 3.37Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.34Å; Y39-I43 PolarHBondContact O-N 2.88Å
40F77.6Confident81.4Confident133 Ų133104.9 Ų104.958%0.58352%0.521SS*.Hα-helixtrans-63.2-41177.7-172-97.1000111.9W36 C37 I43 T44W36-F40 WeakPolarHBondContact O-CB 3.45Å; W36-F40 PolarHBondContact O-N 2.7Å; C37-F40 PolarHBondContact O-N 2.96Å; F40-I43 PolarHBondContact O-N 2.98Å; F40-T44 HydrophobicContact CD1-CG2 4.07Å; F40-T44 HydrophobicContact CE1-CG2 3.67Å; F40-T44 HydrophobicContact CE2-CG2 4.37Å; F40-T44 HydrophobicContact CZ-CG2 3.84Å; F40-T44 WeakPolarHBondContact O-CB 3.36Å; F40-T44 WeakPolarHBondContact O-CG2 3.33Å; F40-T44 PolarHBondContact O-N 3.37Å; F40-T44 PolarHBondContact O-OG1 3.3Å
41T80.2Confident82.6Confident87 Ų87101.9 Ų101.953%0.53451%0.51SS..Hα-helixtrans-64.5-42.6176-520000111.2C37 F38 Y39 T44 H45C37-T41 WeakPolarHBondContact O-CB 3.33Å; C37-T41 PolarHBondContact O-N 3.24Å; C37-T41 PolarHBondContact O-OG1 3.44Å; F38-T41 PolarHBondContact O-N 3.02Å; Y39-T41 VanDerWaalsContact C-N 3.33Å; Y39-T41 PolarHBondContact O-N 3.03Å; T41-T44 WeakPolarHBondContact CA-OG1 3.05Å; T41-T44 PolarHBondContact O-OG1 3.05Å; T41-H45 WeakPolarHBondContact O-CB 3.18Å; T41-H45 PolarHBondContact O-N 3.28Å
42Q87.8Confident83.4Confident105 Ų105102.6 Ų102.649%0.49151%0.514SS..Hα-helixtrans-61.9-45.6175.2-78.4-83.14900112.3F38 Y39 H45 F46F38-Q42 HydrophobicContact CD1-CG 4.12Å; F38-Q42 HydrophobicContact CE1-CG 3.93Å; F38-Q42 WeakPolarHBondContact O-CB 3.45Å; F38-Q42 WeakPolarHBondContact O-CG 3.49Å; F38-Q42 PolarHBondContact O-N 2.94Å; Y39-Q42 PolarHBondContact O-N 2.82Å; Q42-H45 PolarHBondContact O-N 2.89Å; Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.16Å
43I86.5Confident84.4Confident96 Ų96105 Ų10549%0.49252%0.517SS..Hα-helixtrans-63.7-47.4179.5-70.6165.2000110.7Y39 F40 H45 F46 L47Y39-I43 WeakPolarHBondContact O-CB 3.37Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.34Å; Y39-I43 PolarHBondContact O-N 2.88Å; F40-I43 PolarHBondContact O-N 2.98Å; I43-H45 PolarHBondContact O-N 3.36Å; I43-F46 PolarHBondContact O-N 3.27Å; I43-L47 HydrophobicContact CG2-CD1 3.93Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 VanDerWaalsContact O-CG 3.32Å; I43-L47 WeakPolarHBondContact O-CG 3.44Å; I43-L47 PolarHBondContact O-N 3.47Å
44T81.4Confident85.4Confident53 Ų53107.9 Ų107.933%0.32552%0.523SS..Hα-helixtrans-63.4-41.9179.4500000111.7F40 T41 F46 L47 V48F40-T44 HydrophobicContact CD1-CG2 4.07Å; F40-T44 HydrophobicContact CE1-CG2 3.67Å; F40-T44 HydrophobicContact CE2-CG2 4.37Å; F40-T44 HydrophobicContact CZ-CG2 3.84Å; F40-T44 WeakPolarHBondContact O-CB 3.36Å; F40-T44 WeakPolarHBondContact O-CG2 3.33Å; F40-T44 PolarHBondContact O-N 3.37Å; F40-T44 PolarHBondContact O-OG1 3.3Å; T41-T44 WeakPolarHBondContact CA-OG1 3.05Å; T41-T44 PolarHBondContact O-OG1 3.05Å; T44-F46 PolarHBondContact O-N 2.68Å; T44-L47 PolarHBondContact O-N 2.8Å; T44-V48 VanDerWaalsContact O-CG2 3.3Å; T44-V48 WeakPolarHBondContact O-CG2 3.44Å; T44-V48 PolarHBondContact O-N 2.88Å
45H87.2Confident86.6Confident113 Ų113107.6 Ų107.652%0.52352%0.522SS..Hα-helixtrans-61.1-41.8173.6-175.5-105.8000112.4T41 Q42 I43 V48 N49T41-H45 WeakPolarHBondContact O-CB 3.18Å; T41-H45 PolarHBondContact O-N 3.28Å; Q42-H45 PolarHBondContact O-N 2.89Å; I43-H45 PolarHBondContact O-N 3.36Å; H45-V48 PolarHBondContact O-N 3.46Å; H45-N49 PolarHBondContact CE1-ND2 2.92Å; H45-N49 PolarHBondContact ND1-ND2 2.66Å; H45-N49 PolarHBondContact NE2-ND2 3.42Å; H45-N49 VanDerWaalsContact NE2-ND2 3.13Å; H45-N49 PolarHBondContact O-N 2.96Å; H45-N49 PolarHBondContact O-ND2 3.48Å
46F93.6Very high87.2Confident143 Ų143107.7 Ų107.763%0.62753%0.531SS*.Hα-helixtrans-63.5-44.2176.1-169-95.1000111.8Q42 I43 T44 N49 L50Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.16Å; I43-F46 PolarHBondContact O-N 3.27Å; T44-F46 PolarHBondContact O-N 2.68Å; F46-N49 PolarHBondContact O-N 2.8Å; F46-L50 VanDerWaalsContact O-CB 3.31Å; F46-L50 WeakPolarHBondContact O-CB 3.49Å; F46-L50 PolarHBondContact O-N 3.24Å
47L88.8Confident88.3Confident99 Ų99102.8 Ų102.852%0.51852%0.516SS..Hα-helixtrans-64.8-39.1178-69.8175.3000112.7I43 T44 L50 S51I43-L47 HydrophobicContact CG2-CD1 3.93Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 VanDerWaalsContact O-CG 3.32Å; I43-L47 WeakPolarHBondContact O-CG 3.44Å; I43-L47 PolarHBondContact O-N 3.47Å; T44-L47 PolarHBondContact O-N 2.8Å; L47-L50 PolarHBondContact O-N 2.74Å; L47-S51 WeakPolarHBondContact O-CB 3.35Å; L47-S51 PolarHBondContact O-N 2.96Å; L47-S51 PolarHBondContact O-OG 3.12Å
48V92.1Very high89.3Confident89 Ų89101.4 Ų101.454%0.53951%0.51SS..Hα-helixtrans-66.7-43.4176.5171.20000111.1T44 H45 S51 L52T44-V48 VanDerWaalsContact O-CG2 3.3Å; T44-V48 WeakPolarHBondContact O-CG2 3.44Å; T44-V48 PolarHBondContact O-N 2.88Å; H45-V48 PolarHBondContact O-N 3.46Å; V48-S51 PolarHBondContact O-N 3.4Å; V48-S51 PolarHBondContact O-OG 3.38Å; V48-L52 WeakPolarHBondContact O-CB 3.36Å; V48-L52 PolarHBondContact O-N 3.43Å
49N91.9Very high90Very high75 Ų7599.9 Ų99.940%0.40151%0.514SS..Hα-helixtrans-66.9-39.2176.5-76.6-58.8000112.3H45 F46 L52 Y53H45-N49 PolarHBondContact CE1-ND2 2.92Å; H45-N49 PolarHBondContact ND1-ND2 2.66Å; H45-N49 PolarHBondContact NE2-ND2 3.42Å; H45-N49 VanDerWaalsContact NE2-ND2 3.13Å; H45-N49 PolarHBondContact O-N 2.96Å; H45-N49 PolarHBondContact O-ND2 3.48Å; F46-N49 PolarHBondContact O-N 2.8Å; N49-L52 PolarHBondContact O-N 2.8Å; N49-Y53 WeakPolarHBondContact O-CB 3.34Å; N49-Y53 PolarHBondContact O-N 3.35Å
50L94.6Very high90.6Very high78 Ų7895.2 Ų95.241%0.40851%0.506SS..Hα-helixtrans-63-43.4176.5-177.762.6000111.4F46 L47 Y53 I54F46-L50 VanDerWaalsContact O-CB 3.31Å; F46-L50 WeakPolarHBondContact O-CB 3.49Å; F46-L50 PolarHBondContact O-N 3.24Å; L47-L50 PolarHBondContact O-N 2.74Å; L50-Y53 PolarHBondContact O-N 3.09Å; L50-I54 HydrophobicContact CD1-CD1 4.17Å; L50-I54 HydrophobicContact CG-CD1 3.95Å; L50-I54 WeakPolarHBondContact O-CD1 3.25Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 2.83Å; L50-I54 PolarHBondContact O-N 3.18Å
51S93.9Very high91.4Very high54 Ų5493.5 Ų93.538%0.37850%0.502SS..Hα-helixtrans-65-43.4177.468.90000111.5L47 V48 Y53 I54 F55L47-S51 WeakPolarHBondContact O-CB 3.35Å; L47-S51 PolarHBondContact O-N 2.96Å; L47-S51 PolarHBondContact O-OG 3.12Å; V48-S51 PolarHBondContact O-N 3.4Å; V48-S51 PolarHBondContact O-OG 3.38Å; S51-Y53 VanDerWaalsContact C-N 3.32Å; S51-Y53 PolarHBondContact O-N 2.82Å; S51-I54 PolarHBondContact O-N 2.91Å; S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.08Å; S51-F55 PolarHBondContact O-N 3.39Å
52L92.8Very high92Very high122 Ų12295.9 Ų95.964%0.63951%0.505SS*.Hα-helixtrans-60.6-40.9177.3-148.779.3000112.1V48 N49 F55 C56V48-L52 WeakPolarHBondContact O-CB 3.36Å; V48-L52 PolarHBondContact O-N 3.43Å; N49-L52 PolarHBondContact O-N 2.8Å; L52-F55 PolarHBondContact O-N 3.5Å; L52-C56 WeakPolarHBondContact O-CB 3.08Å; L52-C56 PolarHBondContact O-N 3.4Å
53Y94.1Very high92.2Very high145 Ų14598.1 Ų98.157%0.56951%0.51SS*.Hα-helixtrans-63.7-45176-179-101.2000112.2N49 L50 S51 C56 Q57N49-Y53 WeakPolarHBondContact O-CB 3.34Å; N49-Y53 PolarHBondContact O-N 3.35Å; L50-Y53 PolarHBondContact O-N 3.09Å; S51-Y53 VanDerWaalsContact C-N 3.32Å; S51-Y53 PolarHBondContact O-N 2.82Å; Y53-C56 PolarHBondContact O-N 3.27Å; Y53-Q57 HydrophobicContact CD1-CG 4.49Å; Y53-Q57 HydrophobicContact CE1-CG 4.02Å; Y53-Q57 HydrophobicContact CE2-CG 4.4Å; Y53-Q57 PolarHBondContact O-N 2.95Å; Y53-Q57 PolarHBondContact OH-NE2 3.43Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.14Å
54I95.2Very high92.4Very high99 Ų9997.1 Ų97.151%0.50851%0.512SS..Hα-helixtrans-62.9-43.9177.4-68.1163.5000110.8L50 S51 C56 Q57 A58L50-I54 HydrophobicContact CD1-CD1 4.17Å; L50-I54 HydrophobicContact CG-CD1 3.95Å; L50-I54 WeakPolarHBondContact O-CD1 3.25Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 2.83Å; L50-I54 PolarHBondContact O-N 3.18Å; S51-I54 PolarHBondContact O-N 2.91Å; I54-C56 VanDerWaalsContact C-N 3.35Å; I54-C56 PolarHBondContact O-N 3.44Å; I54-Q57 PolarHBondContact O-N 2.86Å; I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 3.33Å
55F94.9Very high92.7Very high151 Ų15198.3 Ų98.366%0.66252%0.515SS*.Hα-helixtrans-61-42.9175.8-92.8-75.9000112S51 L52 A58 C59S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.08Å; S51-F55 PolarHBondContact O-N 3.39Å; L52-F55 PolarHBondContact O-N 3.5Å; F55-A58 PolarHBondContact O-N 2.88Å; F55-C59 WeakPolarHBondContact O-CB 3.02Å; F55-C59 PolarHBondContact O-N 2.91Å
56C92.6Very high92.7Very high90 Ų9096.9 Ų96.961%0.60851%0.51SS*.Hα-helixtrans-61.5-47.1177.7-1740000111.8L52 Y53 I54 C59 G60L52-C56 WeakPolarHBondContact O-CB 3.08Å; L52-C56 PolarHBondContact O-N 3.4Å; Y53-C56 PolarHBondContact O-N 3.27Å; I54-C56 VanDerWaalsContact C-N 3.35Å; I54-C56 PolarHBondContact O-N 3.44Å; C56-C59 PolarHBondContact O-N 3.19Å; C56-G60 PolarHBondContact O-N 3.28Å
57Q94.8Very high92.3Very high91 Ų9194.4 Ų94.443%0.42550%0.501SS..Hα-helixtrans-63.2-43.9177.2-74.6-7115.200112.2Y53 I54 C59 G60 I61Y53-Q57 HydrophobicContact CD1-CG 4.49Å; Y53-Q57 HydrophobicContact CE1-CG 4.02Å; Y53-Q57 HydrophobicContact CE2-CG 4.4Å; Y53-Q57 PolarHBondContact O-N 2.95Å; Y53-Q57 PolarHBondContact OH-NE2 3.43Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.14Å; I54-Q57 PolarHBondContact O-N 2.86Å; Q57-C59 PolarHBondContact O-N 3.31Å; Q57-G60 PolarHBondContact O-N 2.92Å; Q57-I61 WeakPolarHBondContact O-CB 3.14Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.5Å; Q57-I61 PolarHBondContact O-N 2.9Å
58A94.6Very high92.1Very high54 Ų5492.9 Ų92.945%0.44650%0.498SS..Hα-helixtrans-60.5-44.4177.700000111.7I54 F55 F62I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 3.33Å; F55-A58 PolarHBondContact O-N 2.88Å; A58-F62 VanDerWaalsContact O-CB 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.37Å; A58-F62 PolarHBondContact O-N 3.04Å
59C94.6Very high91.3Very high87 Ų8796 Ų9659%0.58850%0.502SS*.Hα-helixtrans-62.7-42.4174.9-85.10000112.5F55 C56 Q57 F62 Y63F55-C59 WeakPolarHBondContact O-CB 3.02Å; F55-C59 PolarHBondContact O-N 2.91Å; C56-C59 PolarHBondContact O-N 3.19Å; Q57-C59 PolarHBondContact O-N 3.31Å; C59-F62 PolarHBondContact O-N 3.49Å; C59-Y63 WeakPolarHBondContact O-CB 3.49Å; C59-Y63 PolarHBondContact O-N 2.92Å
60G92.9Very high90.5Very high35 Ų3597.5 Ų97.536%0.36151%0.513SS..Hα-helixtrans-64.6-43.5178.300000113.1C56 Q57 Y63 S64C56-G60 PolarHBondContact O-N 3.28Å; Q57-G60 PolarHBondContact O-N 2.92Å; G60-Y63 PolarHBondContact O-N 3.14Å; G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 2.9Å; G60-S64 PolarHBondContact O-OG 3.45Å
61I93.8Very high89.4Confident97 Ų97100.3 Ų100.350%0.49753%0.528SS..Hα-helixtrans-62.8-45.8174.4-66.5166.4000109.7Q57 Y63 S64 I65Q57-I61 WeakPolarHBondContact O-CB 3.14Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.5Å; Q57-I61 PolarHBondContact O-N 2.9Å; I61-Y63 PolarHBondContact O-N 3.44Å; I61-S64 PolarHBondContact O-N 3.23Å; I61-I65 HydrophobicContact CG2-CD1 3.68Å; I61-I65 HydrophobicContact CG2-CG1 4.31Å; I61-I65 WeakPolarHBondContact O-CB 3.49Å; I61-I65 VanDerWaalsContact O-CG1 3.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.17Å; I61-I65 PolarHBondContact O-N 3.44Å
62F94.3Very high88.2Confident137 Ų137100.9 Ų100.960%0.60153%0.532SS*.Hα-helixtrans-61.5-44179-163.7-93000112A58 C59 I65 I66A58-F62 VanDerWaalsContact O-CB 3.26Å; A58-F62 WeakPolarHBondContact O-CB 3.37Å; A58-F62 PolarHBondContact O-N 3.04Å; C59-F62 PolarHBondContact O-N 3.49Å; F62-I65 PolarHBondContact O-N 2.86Å; F62-I66 HydrophobicContact CD1-CD1 4.36Å; F62-I66 HydrophobicContact CD1-CG1 3.85Å; F62-I66 HydrophobicContact CE1-CD1 3.71Å; F62-I66 HydrophobicContact CE1-CG1 3.71Å; F62-I66 HydrophobicContact CZ-CD1 4.19Å; F62-I66 HydrophobicContact CZ-CG1 4.43Å; F62-I66 WeakPolarHBondContact O-CG1 3.32Å; F62-I66 PolarHBondContact O-N 2.97Å
63Y91.3Very high86.5Confident153 Ų15396.4 Ų96.460%0.652%0.515SS*.Hα-helixtrans-62.2-44.7176.1-170.1-95.6000111.6C59 G60 I61 I65 I66 Q67C59-Y63 WeakPolarHBondContact O-CB 3.49Å; C59-Y63 PolarHBondContact O-N 2.92Å; G60-Y63 PolarHBondContact O-N 3.14Å; I61-Y63 PolarHBondContact O-N 3.44Å; Y63-I65 VanDerWaalsContact C-N 3.33Å; Y63-I65 PolarHBondContact O-N 2.91Å; Y63-I66 PolarHBondContact O-N 3.04Å; Y63-Q67 VanDerWaalsContact O-CB 3.32Å; Y63-Q67 WeakPolarHBondContact O-CB 3.36Å; Y63-Q67 PolarHBondContact O-N 3.24Å
64S90.2Very high84.7Confident74 Ų7495.3 Ų95.352%0.51752%0.519SS..Hα-helixtrans-62.2-40.3177.3-57.80000112G60 I61 Q67 S68G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 2.9Å; G60-S64 PolarHBondContact O-OG 3.45Å; I61-S64 PolarHBondContact O-N 3.23Å; S64-Q67 PolarHBondContact O-N 3.3Å; S64-S68 VanDerWaalsContact O-CB 3.32Å; S64-S68 WeakPolarHBondContact O-CB 3.35Å; S64-S68 PolarHBondContact O-N 3.41Å
65I88.5Confident82.8Confident79 Ų7997.2 Ų97.241%0.40552%0.524SS..Hα-helixtrans-63.3-51.1175.1-71.2169.8000110.4I61 F62 Y63 Q67 S68 Y69I61-I65 HydrophobicContact CG2-CD1 3.68Å; I61-I65 HydrophobicContact CG2-CG1 4.31Å; I61-I65 WeakPolarHBondContact O-CB 3.49Å; I61-I65 VanDerWaalsContact O-CG1 3.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.17Å; I61-I65 PolarHBondContact O-N 3.44Å; F62-I65 PolarHBondContact O-N 2.86Å; Y63-I65 VanDerWaalsContact C-N 3.33Å; Y63-I65 PolarHBondContact O-N 2.91Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3Å; I65-S68 WeakPolarHBondContact O-CB 3.21Å; I65-S68 PolarHBondContact O-N 3.39Å; I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.35Å; I65-Y69 WeakPolarHBondContact O-CD2 3.27Å; I65-Y69 PolarHBondContact O-N 3.36Å
66I86.2Confident80.8Confident82 Ų8294 Ų9442%0.42152%0.517SS..Hα-helixtrans-56.5-47177.8-66.4-94.2000110.3F62 Y63 S68 Y69 V70F62-I66 HydrophobicContact CD1-CD1 4.36Å; F62-I66 HydrophobicContact CD1-CG1 3.85Å; F62-I66 HydrophobicContact CE1-CD1 3.71Å; F62-I66 HydrophobicContact CE1-CG1 3.71Å; F62-I66 HydrophobicContact CZ-CD1 4.19Å; F62-I66 HydrophobicContact CZ-CG1 4.43Å; F62-I66 WeakPolarHBondContact O-CG1 3.32Å; F62-I66 PolarHBondContact O-N 2.97Å; Y63-I66 PolarHBondContact O-N 3.04Å; I66-S68 VanDerWaalsContact C-N 3.32Å; I66-S68 PolarHBondContact O-N 3.48Å; I66-Y69 PolarHBondContact O-N 2.97Å; I66-V70 HydrophobicContact CG2-CG2 4.44Å; I66-V70 WeakPolarHBondContact O-CG2 3.41Å; I66-V70 PolarHBondContact O-N 3.38Å
67Q86.1Confident78.9Confident91 Ų9191.4 Ų91.443%0.42551%0.506SS..Hα-helixtrans-64.8-38.2-179.4-166.2167.22.900111.5Y63 S64 I65 V70 L71Y63-Q67 VanDerWaalsContact O-CB 3.32Å; Y63-Q67 WeakPolarHBondContact O-CB 3.36Å; Y63-Q67 PolarHBondContact O-N 3.24Å; S64-Q67 PolarHBondContact O-N 3.3Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 PolarHBondContact O-N 3Å; Q67-V70 PolarHBondContact O-N 2.92Å; Q67-L71 HydrophobicContact CG-CD1 3.99Å; Q67-L71 WeakPolarHBondContact O-CB 3.24Å; Q67-L71 WeakPolarHBondContact O-CG 3.49Å; Q67-L71 PolarHBondContact O-N 2.98Å
68S83.6Confident77Confident67 Ų6792.4 Ų92.447%0.46952%0.518SS..Hα-helixtrans-64.8-40.5172.8-161.90000112.1S64 I65 I66 S72S64-S68 VanDerWaalsContact O-CB 3.32Å; S64-S68 WeakPolarHBondContact O-CB 3.35Å; S64-S68 PolarHBondContact O-N 3.41Å; I65-S68 WeakPolarHBondContact O-CB 3.21Å; I65-S68 PolarHBondContact O-N 3.39Å; I66-S68 VanDerWaalsContact C-N 3.32Å; I66-S68 PolarHBondContact O-N 3.48Å; S68-S72 WeakPolarHBondContact O-CB 3.46Å; S68-S72 PolarHBondContact O-N 2.91Å; S68-S72 PolarHBondContact O-OG 3.49Å
69Y75.4Confident75.1Confident154 Ų15493 Ų9360%0.60451%0.512SS*.Hα-helixtrans-64.8-38.8173.8-82.8-71.4000113.1I65 I66I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.35Å; I65-Y69 WeakPolarHBondContact O-CD2 3.27Å; I65-Y69 PolarHBondContact O-N 3.36Å; I66-Y69 PolarHBondContact O-N 2.97Å
70V76.7Confident73.2Confident107 Ų10790.9 Ų90.965%0.64850%0.5SS*.Hα-helixtrans-68.4-45.7177.31700000110.9I66 Q67 G73I66-V70 HydrophobicContact CG2-CG2 4.44Å; I66-V70 WeakPolarHBondContact O-CG2 3.41Å; I66-V70 PolarHBondContact O-N 3.38Å; Q67-V70 PolarHBondContact O-N 2.92Å; V70-G73 PolarHBondContact O-N 3.39Å
71L71.4Confident71.5Confident137 Ų13798.9 Ų98.972%0.71752%0.52SS*.Hα-helixtrans-71.1-34.6178.4-74.4166.5000112.7Q67 G73Q67-L71 HydrophobicContact CG-CD1 3.99Å; Q67-L71 WeakPolarHBondContact O-CB 3.24Å; Q67-L71 WeakPolarHBondContact O-CG 3.49Å; Q67-L71 PolarHBondContact O-N 2.98Å; L71-G73 PolarHBondContact O-N 2.97Å; L71-G73 VanDerWaalsContact O-N 3.12Å
72S67.4Low70Confident67 Ų6797.9 Ų97.947%0.46952%0.521SS..THydrogen-bonded Turntrans-70.1-3.4178.6-62.40000113.4S68 N74S68-S72 WeakPolarHBondContact O-CB 3.46Å; S68-S72 PolarHBondContact O-N 2.91Å; S68-S72 PolarHBondContact O-OG 3.49Å; S72-N74 PolarHBondContact O-N 3.43Å
73G58.7Low68.2Low27 Ų27100 Ų10028%0.27853%0.525SS..  trans61.54.5169.500000115.8V70 L71 T76 G77V70-G73 PolarHBondContact O-N 3.39Å; L71-G73 PolarHBondContact O-N 2.97Å; L71-G73 VanDerWaalsContact O-N 3.12Å; G73-T76 WeakPolarHBondContact CA-OG1 3.39Å; G73-T76 PolarHBondContact O-OG1 2.99Å; G73-G77 PolarHBondContact O-N 3.4Å
74N55.6Low66.5Low122 Ų12297.9 Ų97.965%0.65252%0.524SS*.Hα-helixtrans-78.1-27.3-175.8-84.7-26.4000112.4S72 V78S72-N74 PolarHBondContact O-N 3.43Å; N74-V78 PolarHBondContact O-N 2.96Å
75F54.8Low64.9Low139 Ų139101.3 Ų101.361%0.6153%0.532SS*.Hα-helixtrans-74.5-38.7173.7-170.4-121.5000111.7M79F75-M79 HydrophobicContact CD1-CE 3.34Å; F75-M79 HydrophobicContact CD2-CE 4.18Å; F75-M79 HydrophobicContact CE1-CE 3.01Å; F75-M79 HydrophobicContact CE1-SD 4.18Å; F75-M79 HydrophobicContact CE2-CE 3.89Å; F75-M79 HydrophobicContact CE2-SD 4.32Å; F75-M79 HydrophobicContact CG-CE 3.93Å; F75-M79 HydrophobicContact CZ-CE 3.3Å; F75-M79 HydrophobicContact CZ-SD 3.88Å; F75-M79 PolarHBondContact O-N 3.4Å
76T52.7Low63.6Low84 Ų84106.1 Ų106.152%0.51555%0.549SS..Hα-helixtrans-71.9-32.3171.652.30000111.1G73 V78 A80G73-T76 WeakPolarHBondContact CA-OG1 3.39Å; G73-T76 PolarHBondContact O-OG1 2.99Å; T76-V78 PolarHBondContact O-N 2.92Å; T76-A80 VanDerWaalsContact O-CA 3.25Å; T76-A80 WeakPolarHBondContact O-CA 3.18Å; T76-A80 WeakPolarHBondContact O-CB 3.26Å; T76-A80 PolarHBondContact O-N 3.46Å
77G54.1Low62.4Low36 Ų36106.3 Ų106.337%0.37155%0.551SS.*Hα-helixtrans-61.3-44.7177.300000113.6G73 R81G73-G77 PolarHBondContact O-N 3.4Å; G77-R81 WeakPolarHBondContact O-CB 3.41Å; G77-R81 PolarHBondContact O-N 3.04Å
78V54.6Low61.2Low111 Ų111108.5 Ų108.567%0.67356%0.559SS**Hα-helixtrans-75-43.6179.6-179.80000111.6N74 T76 S82N74-V78 PolarHBondContact O-N 2.96Å; T76-V78 PolarHBondContact O-N 2.92Å; V78-S82 WeakPolarHBondContact O-CB 3.48Å; V78-S82 PolarHBondContact O-N 3.03Å
79M54.1Low60Low68 Ų68109.7 Ų109.734%0.33556%0.561SS.*Hα-helixtrans-73.3-36.3177.1-75.1-164.7-62.300113.4F75 S82 R83F75-M79 HydrophobicContact CD1-CE 3.34Å; F75-M79 HydrophobicContact CD2-CE 4.18Å; F75-M79 HydrophobicContact CE1-CE 3.01Å; F75-M79 HydrophobicContact CE1-SD 4.18Å; F75-M79 HydrophobicContact CE2-CE 3.89Å; F75-M79 HydrophobicContact CE2-SD 4.32Å; F75-M79 HydrophobicContact CG-CE 3.93Å; F75-M79 HydrophobicContact CZ-CE 3.3Å; F75-M79 HydrophobicContact CZ-SD 3.88Å; F75-M79 PolarHBondContact O-N 3.4Å; M79-S82 PolarHBondContact O-N 2.9Å; M79-R83 WeakPolarHBondContact O-CB 3.31Å; M79-R83 WeakPolarHBondContact O-CG 3.45Å; M79-R83 PolarHBondContact O-N 3.29Å
80A54Low59.5Low41 Ų41109.6 Ų109.634%0.33956%0.563SS.*Hα-helixtrans-70.8-40174.700000110.3T76 S82 R83 L84T76-A80 VanDerWaalsContact O-CA 3.25Å; T76-A80 WeakPolarHBondContact O-CA 3.18Å; T76-A80 WeakPolarHBondContact O-CB 3.26Å; T76-A80 PolarHBondContact O-N 3.46Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.13Å; A80-R83 PolarHBondContact O-N 2.89Å; A80-L84 HydrophobicContact CB-CD1 4.31Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 VanDerWaalsContact O-CD1 3.3Å; A80-L84 WeakPolarHBondContact O-CD1 3.47Å; A80-L84 WeakPolarHBondContact O-CG 3.37Å; A80-L84 PolarHBondContact O-N 3.4Å
81R59Low59.2Low203 Ų203109.4 Ų109.477%0.76656%0.559SS**Hα-helixtrans-62.1-39.7173.6-174.5170.4-177.4149.8-0.2112G77 H85G77-R81 WeakPolarHBondContact O-CB 3.41Å; G77-R81 PolarHBondContact O-N 3.04Å; R81-H85 WeakPolarHBondContact O-CB 3.31Å; R81-H85 PolarHBondContact O-N 3.31Å; R81-H85 VanDerWaalsContact O-N 3.09Å
82S62.1Low59.4Low76 Ų76105.7 Ų105.753%0.53155%0.547SS..Hα-helixtrans-63.7-43.6173.6173.20000112.6V78 M79 A80V78-S82 WeakPolarHBondContact O-CB 3.48Å; V78-S82 PolarHBondContact O-N 3.03Å; M79-S82 PolarHBondContact O-N 2.9Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.13Å
83R55.6Low60Low181 Ų181106.9 Ų106.968%0.68355%0.546SS*.Hα-helixtrans-73.3-34.4178.9-70.9174.6-176.1-164.72.1113.1M79 A80 H85 N87M79-R83 WeakPolarHBondContact O-CB 3.31Å; M79-R83 WeakPolarHBondContact O-CG 3.45Å; M79-R83 PolarHBondContact O-N 3.29Å; A80-R83 PolarHBondContact O-N 2.89Å; R83-H85 VanDerWaalsContact C-N 3.35Å; R83-N87 PolarHBondContact O-N 3.23Å
84L56.1Low61.2Low110 Ų110108.9 Ų108.958%0.57655%0.548SS*.Hα-helixtrans-69.5-31.9175.9-74.4162.9000111.6A80 K86 N87 K88A80-L84 HydrophobicContact CB-CD1 4.31Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 VanDerWaalsContact O-CD1 3.3Å; A80-L84 WeakPolarHBondContact O-CD1 3.47Å; A80-L84 WeakPolarHBondContact O-CG 3.37Å; A80-L84 PolarHBondContact O-N 3.4Å; L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.48Å; L84-N87 PolarHBondContact O-N 2.91Å; L84-K88 WeakPolarHBondContact O-CA 3.27Å; L84-K88 WeakPolarHBondContact O-CB 3.47Å; L84-K88 PolarHBondContact O-N 3.35Å
85H57.2Low62.4Low146 Ų146106.5 Ų106.568%0.67654%0.535SS*.Hα-helixtrans-70-28.2179.8-152.181.6000113R81 R83R81-H85 WeakPolarHBondContact O-CB 3.31Å; R81-H85 PolarHBondContact O-N 3.31Å; R81-H85 VanDerWaalsContact O-N 3.09Å; R83-H85 VanDerWaalsContact C-N 3.35Å
86K60.3Low64Low179 Ų179107.1 Ų107.178%0.77853%0.533SS*.Hα-helixtrans-87.7-16.1176.4-71.5-176.2177.1-177.40114.3L84L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.48Å
87N60.2Low65.8Low87 Ų87110.3 Ų110.347%0.46554%0.536SS..Hα-helixtrans-116.99.8-179.2-91.7-4.2000113.4R83 L84 D89 K90R83-N87 PolarHBondContact O-N 3.23Å; L84-N87 PolarHBondContact O-N 2.91Å; N87-D89 PolarHBondContact O-N 2.95Å; N87-D89 VanDerWaalsContact O-N 3.16Å; N87-K90 WeakPolarHBondContact O-CA 3.45Å; N87-K90 WeakPolarHBondContact O-CB 3.32Å; N87-K90 PolarHBondContact O-N 3.46Å
88K61.3Low67.4Low136 Ų136114.2 Ų114.259%0.59154%0.539SS*.G310 helixtrans-59.6-29.4-178.6-133.1175177.3-169.80112.4L84 K90 D91L84-K88 WeakPolarHBondContact O-CA 3.27Å; L84-K88 WeakPolarHBondContact O-CB 3.47Å; L84-K88 PolarHBondContact O-N 3.35Å; K88-K90 PolarHBondContact O-N 3.46Å; K88-D91 WeakPolarHBondContact O-CB 3.4Å; K88-D91 PolarHBondContact O-N 2.98Å
89D58.8Low69.2Low92 Ų92116 Ų11649%0.49254%0.535SS..G310 helixtrans-71.4-12.2176.5-42.4-16.4000113.3N87N87-D89 PolarHBondContact O-N 2.95Å; N87-D89 VanDerWaalsContact O-N 3.16Å
90K64Low71.1Confident153 Ų153116.8 Ų116.867%0.66554%0.544SS*.G310 helixtrans-104.27.7178.4-63.4-177-179.4174.80112.8N87 K88 A92N87-K90 WeakPolarHBondContact O-CA 3.45Å; N87-K90 WeakPolarHBondContact O-CB 3.32Å; N87-K90 PolarHBondContact O-N 3.46Å; K88-K90 PolarHBondContact O-N 3.46Å; K90-A92 PolarHBondContact O-N 3.47Å
91D70.7Confident73Confident103 Ų103120 Ų12055%0.55156%0.555SS**  trans-64.2130.1174.9-147.5-4.8000108.7K88 E93 E94 L95K88-D91 WeakPolarHBondContact O-CB 3.4Å; K88-D91 PolarHBondContact O-N 2.98Å; D91-E93 PolarHBondContact O-N 3.29Å; D91-E94 HydrophobicContact CB-CB 4.22Å; D91-E94 WeakPolarHBondContact O-CB 3.34Å; D91-E94 PolarHBondContact O-N 3.47Å; D91-L95 PolarHBondContact O-N 2.97Å
92A75.5Confident74.7Confident58 Ų58115.8 Ų115.848%0.47954%0.544SS..Hα-helixtrans-59.2-29.5-168.600000112.3K90 R96K90-A92 PolarHBondContact O-N 3.47Å; A92-R96 WeakPolarHBondContact O-CG 3.22Å; A92-R96 PolarHBondContact O-N 2.93Å; A92-R96 VanDerWaalsContact O-N 3.1Å
93E81.5Confident76.3Confident93 Ų93114.3 Ų114.344%0.43553%0.534SS..Hα-helixtrans-73.1-40.3176-168.757.2-159.900112.9D91 L95 R96 R97D91-E93 PolarHBondContact O-N 3.29Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-R96 PolarHBondContact O-N 3.46Å; E93-R96 IonicContact OE2-CZ 2.95Å; E93-R96 IonicContact OE2-NE 2.7Å; E93-R96 PolarHBondContact OE2-NE 3.4Å; E93-R96 IonicContact OE2-NH2 3.04Å; E93-R96 PolarHBondContact OE2-NH2 2.95Å; E93-R97 WeakPolarHBondContact O-CG 3.49Å; E93-R97 PolarHBondContact O-N 2.89Å
94E82.3Confident78.2Confident68 Ų68108.3 Ų108.332%0.31852%0.517SS..Hα-helixtrans-65.8-38.4174.4-178.658.1-158.700110.8D91 R96 R97 R98D91-E94 HydrophobicContact CB-CB 4.22Å; D91-E94 WeakPolarHBondContact O-CB 3.34Å; D91-E94 PolarHBondContact O-N 3.47Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 2.89Å; E94-R97 PolarHBondContact O-N 3.36Å; E94-R98 WeakPolarHBondContact O-CG 3.3Å; E94-R98 PolarHBondContact O-N 2.76Å; E94-R98 IonicContact OE1-CZ 3.95Å; E94-R98 IonicContact OE1-NE 3.27Å; E94-R98 PolarHBondContact OE1-NE 3.42Å; E94-R98 IonicContact OE1-NH2 3.69Å
95L82.3Confident80.1Confident73 Ų73109.7 Ų109.738%0.38252%0.52SS..Hα-helixtrans-61-43.9173.6-142.581.9000111.3D91 E93 R97 R98 Y99D91-L95 PolarHBondContact O-N 2.97Å; E93-L95 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 3.48Å; L95-R98 PolarHBondContact O-N 2.99Å; L95-Y99 HydrophobicContact CD2-CE2 3.68Å; L95-Y99 HydrophobicContact CG-CD2 4.24Å; L95-Y99 HydrophobicContact CG-CE2 3.75Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.85Å
96R87.4Confident81.8Confident151 Ų151107.9 Ų107.957%0.5752%0.515SS*.Hα-helixtrans-61.6-40.5175.5-81.5-168.7-79.4-119.91.4112.8A92 E93 E94 T100A92-R96 WeakPolarHBondContact O-CG 3.22Å; A92-R96 PolarHBondContact O-N 2.93Å; A92-R96 VanDerWaalsContact O-N 3.1Å; E93-R96 PolarHBondContact O-N 3.46Å; E93-R96 IonicContact OE2-CZ 2.95Å; E93-R96 IonicContact OE2-NE 2.7Å; E93-R96 PolarHBondContact OE2-NE 3.4Å; E93-R96 IonicContact OE2-NH2 3.04Å; E93-R96 PolarHBondContact OE2-NH2 2.95Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 2.89Å; R96-T100 PolarHBondContact O-N 2.97Å; R96-T100 VanDerWaalsContact O-N 3.07Å; R96-T100 PolarHBondContact O-OG1 3.01Å
97R89.8Confident83.4Confident151 Ų151107.3 Ų107.357%0.5751%0.508SS*.Hα-helixtrans-61.4-50.9174.2-73179.1-179.9-169.2-2.6111.3E93 E94 L95 Y99 T100 D101E93-R97 WeakPolarHBondContact O-CG 3.49Å; E93-R97 PolarHBondContact O-N 2.89Å; E94-R97 PolarHBondContact O-N 3.36Å; L95-R97 PolarHBondContact O-N 3.48Å; R97-Y99 PolarHBondContact O-N 3.34Å; R97-T100 WeakPolarHBondContact O-CA 3.27Å; R97-T100 WeakPolarHBondContact O-CB 3.35Å; R97-T100 PolarHBondContact O-N 2.99Å; R97-D101 PolarHBondContact O-N 3.49Å
98R89.1Confident85.1Confident118 Ų118109.6 Ų109.645%0.44551%0.514SS..Hα-helixtrans-58.3-43.1177.7-68.4-176.1-166.6-161.77112.9E94 L95 T100 D101 Q102E94-R98 WeakPolarHBondContact O-CG 3.3Å; E94-R98 PolarHBondContact O-N 2.76Å; E94-R98 IonicContact OE1-CZ 3.95Å; E94-R98 IonicContact OE1-NE 3.27Å; E94-R98 PolarHBondContact OE1-NE 3.42Å; E94-R98 IonicContact OE1-NH2 3.69Å; L95-R98 PolarHBondContact O-N 2.99Å; R98-T100 VanDerWaalsContact C-N 3.29Å; R98-T100 PolarHBondContact O-N 3.47Å; R98-D101 PolarHBondContact O-N 3.34Å; R98-Q102 WeakPolarHBondContact O-CB 3.49Å; R98-Q102 PolarHBondContact O-N 3Å
99Y92.4Very high86.6Confident150 Ų150105.8 Ų105.859%0.58851%0.508SS*.Hα-helixtrans-61.5-37.9174.9-79.7-60.5000112.5L95 R97 S103L95-Y99 HydrophobicContact CD2-CE2 3.68Å; L95-Y99 HydrophobicContact CG-CD2 4.24Å; L95-Y99 HydrophobicContact CG-CE2 3.75Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.85Å; R97-Y99 PolarHBondContact O-N 3.34Å; Y99-S103 WeakPolarHBondContact O-CB 3.45Å; Y99-S103 PolarHBondContact O-N 2.92Å
100T93.8Very high88.2Confident84 Ų84108.9 Ų108.952%0.51552%0.517SS..Hα-helixtrans-70.3-48178.4-55.10000111.2R96 R97 R98 Q102 S103 V104R96-T100 PolarHBondContact O-N 2.97Å; R96-T100 VanDerWaalsContact O-N 3.07Å; R96-T100 PolarHBondContact O-OG1 3.01Å; R97-T100 WeakPolarHBondContact O-CA 3.27Å; R97-T100 WeakPolarHBondContact O-CB 3.35Å; R97-T100 PolarHBondContact O-N 2.99Å; R98-T100 VanDerWaalsContact C-N 3.29Å; R98-T100 PolarHBondContact O-N 3.47Å; T100-Q102 VanDerWaalsContact C-N 3.32Å; T100-Q102 PolarHBondContact O-N 2.88Å; T100-S103 WeakPolarHBondContact O-CB 3.47Å; T100-S103 PolarHBondContact O-N 3.32Å; T100-S103 VanDerWaalsContact O-N 3.14Å; T100-V104 WeakPolarHBondContact O-CG2 3.3Å; T100-V104 PolarHBondContact O-N 3.31Å
101D94Very high89.7Confident108 Ų108108.1 Ų108.158%0.57851%0.514SS*.Hα-helixtrans-60.1-44.1178.3-69.1-24.2000111R97 R98 S103 V104 E105R97-D101 PolarHBondContact O-N 3.49Å; R98-D101 PolarHBondContact O-N 3.34Å; D101-S103 PolarHBondContact O-N 2.93Å; D101-V104 PolarHBondContact O-N 2.97Å; D101-E105 WeakPolarHBondContact O-CB 3.31Å; D101-E105 PolarHBondContact O-N 3.01Å
102Q94.7Very high90.6Very high114 Ų114107.7 Ų107.753%0.53351%0.511SS..Hα-helixtrans-63.8-38.3175.8-164.7178.731.200112.2R98 T100 L106R98-Q102 WeakPolarHBondContact O-CB 3.49Å; R98-Q102 PolarHBondContact O-N 3Å; T100-Q102 VanDerWaalsContact C-N 3.32Å; T100-Q102 PolarHBondContact O-N 2.88Å; Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 WeakPolarHBondContact O-CG 3.34Å; Q102-L106 PolarHBondContact O-N 2.96Å
103S94.8Very high91.4Very high45 Ų45109.6 Ų109.632%0.31551%0.511SS..Hα-helixtrans-66.1-39.6175.2-166.80000112.1Y99 T100 D101 R107Y99-S103 WeakPolarHBondContact O-CB 3.45Å; Y99-S103 PolarHBondContact O-N 2.92Å; T100-S103 WeakPolarHBondContact O-CB 3.47Å; T100-S103 PolarHBondContact O-N 3.32Å; T100-S103 VanDerWaalsContact O-N 3.14Å; D101-S103 PolarHBondContact O-N 2.93Å; S103-R107 WeakPolarHBondContact O-CG 3.47Å; S103-R107 PolarHBondContact O-N 2.86Å; S103-R107 VanDerWaalsContact O-N 3.16Å; S103-R107 PolarHBondContact OG-NH2 3.31Å
104V96Very high91.8Very high56 Ų56110.8 Ų110.834%0.33952%0.516SS..Hα-helixtrans-67.6-43.2176.9172.50000110.8T100 D101 L106 R107 K108T100-V104 WeakPolarHBondContact O-CG2 3.3Å; T100-V104 PolarHBondContact O-N 3.31Å; D101-V104 PolarHBondContact O-N 2.97Å; V104-L106 PolarHBondContact O-N 3.44Å; V104-R107 PolarHBondContact O-N 3.27Å; V104-K108 HydrophobicContact CG1-CD 4.31Å; V104-K108 WeakPolarHBondContact O-CG 3.46Å; V104-K108 PolarHBondContact O-N 3Å
105E95Very high92.1Very high138 Ų138110.6 Ų110.665%0.64552%0.517SS*.Hα-helixtrans-60.8-44.2177-169.9172.3-165.500111.5D101 R107 K108 A109D101-E105 WeakPolarHBondContact O-CB 3.31Å; D101-E105 PolarHBondContact O-N 3.01Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 2.74Å; E105-K108 PolarHBondContact O-N 2.73Å; E105-A109 WeakPolarHBondContact O-CB 3.46Å; E105-A109 PolarHBondContact O-N 3.47Å
106L94.5Very high92.2Very high108 Ų108112.3 Ų112.357%0.56552%0.523SS*.Hα-helixtrans-60.9-38.1174.7-77.7166.8000113.1Q102 V104 K110Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 WeakPolarHBondContact O-CG 3.34Å; Q102-L106 PolarHBondContact O-N 2.96Å; V104-L106 PolarHBondContact O-N 3.44Å; L106-K110 PolarHBondContact O-N 2.95Å
107R93.9Very high92Very high168 Ų168111.1 Ų111.163%0.63452%0.522SS*.Hα-helixtrans-69.7-41.4176.6-70.8172.5-165.9160.95.4111.6S103 V104 E105 K111S103-R107 WeakPolarHBondContact O-CG 3.47Å; S103-R107 PolarHBondContact O-N 2.86Å; S103-R107 VanDerWaalsContact O-N 3.16Å; S103-R107 PolarHBondContact OG-NH2 3.31Å; V104-R107 PolarHBondContact O-N 3.27Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 2.74Å; R107-K111 WeakPolarHBondContact O-CB 3.38Å; R107-K111 PolarHBondContact O-N 3.09Å
108K95.5Very high91.7Very high134 Ų134109.3 Ų109.358%0.58352%0.52SS*.Hα-helixtrans-62.8-47.8174.9-74.8-179.3179.5179.40110.7V104 E105 K110 K111 D112V104-K108 HydrophobicContact CG1-CD 4.31Å; V104-K108 WeakPolarHBondContact O-CG 3.46Å; V104-K108 PolarHBondContact O-N 3Å; E105-K108 PolarHBondContact O-N 2.73Å; K108-K110 PolarHBondContact O-N 2.96Å; K108-K111 PolarHBondContact O-N 3.48Å; K108-K111 VanDerWaalsContact O-N 3.11Å; K108-D112 WeakPolarHBondContact O-CB 3.22Å; K108-D112 PolarHBondContact O-N 2.98Å
109A92.1Very high91.2Very high56 Ų56111.1 Ų111.146%0.46353%0.527SS..Hα-helixtrans-57.7-46.6177.200000112E105 K111 D112 E113E105-A109 WeakPolarHBondContact O-CB 3.46Å; E105-A109 PolarHBondContact O-N 3.47Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 3.32Å; A109-D112 PolarHBondContact O-N 3.27Å; A109-E113 WeakPolarHBondContact O-CB 3.41Å; A109-E113 PolarHBondContact O-N 3.03Å
110K93.6Very high89.9Confident157 Ų157107.8 Ų107.868%0.68352%0.519SS*.Hα-helixtrans-60.1-41.8175-82.4-174175.8-175.70112.7L106 K108 Q114L106-K110 PolarHBondContact O-N 2.95Å; K108-K110 PolarHBondContact O-N 2.96Å; K110-Q114 WeakPolarHBondContact O-CB 3.42Å; K110-Q114 PolarHBondContact O-N 3.01Å
111K94Very high88.3Confident137 Ų137108.4 Ų108.460%0.59652%0.518SS*.Hα-helixtrans-67.4-43.2178.7-170.7176.6179.9178.60111.4R107 K108 A109 Q114 L115R107-K111 WeakPolarHBondContact O-CB 3.38Å; R107-K111 PolarHBondContact O-N 3.09Å; K108-K111 PolarHBondContact O-N 3.48Å; K108-K111 VanDerWaalsContact O-N 3.11Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 3.32Å; K111-Q114 PolarHBondContact O-N 2.97Å; K111-L115 HydrophobicContact CG-CD1 4.23Å; K111-L115 WeakPolarHBondContact O-CB 3.48Å; K111-L115 VanDerWaalsContact O-CG 3.31Å; K111-L115 WeakPolarHBondContact O-CG 3.26Å; K111-L115 PolarHBondContact O-N 2.89Å
112D91.5Very high86.4Confident94 Ų94109 Ų10950%0.50352%0.52SS..Hα-helixtrans-66.4-39.6178.4-77.9-10.3000111.6K108 A109 Q114 L115 Q116K108-D112 WeakPolarHBondContact O-CB 3.22Å; K108-D112 PolarHBondContact O-N 2.98Å; A109-D112 PolarHBondContact O-N 3.27Å; D112-Q114 VanDerWaalsContact C-N 3.35Å; D112-L115 PolarHBondContact O-N 3.35Å; D112-Q116 VanDerWaalsContact O-CB 3.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.39Å; D112-Q116 PolarHBondContact O-N 3.06Å
113E90.4Very high84.5Confident99 Ų99110 Ų11046%0.46353%0.529SS..Hα-helixtrans-64.2-40.4174.9-159.1-166.8156.600111.3A109 Q116 K117A109-E113 WeakPolarHBondContact O-CB 3.41Å; A109-E113 PolarHBondContact O-N 3.03Å; E113-Q116 PolarHBondContact O-N 2.93Å; E113-K117 VanDerWaalsContact O-CG 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.32Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 WeakPolarHBondContact OE1-CE 3.47Å; E113-K117 IonicContact OE1-NZ 3.44Å; E113-K117 PolarHBondContact OE1-NZ 3.34Å
114Q89.8Confident82.5Confident117 Ų117113 Ų11355%0.54755%0.546SS..Hα-helixtrans-64.3-44.9174.4-172.8179.412.800111.8K110 K111 D112 Q116 K117 Q118K110-Q114 WeakPolarHBondContact O-CB 3.42Å; K110-Q114 PolarHBondContact O-N 3.01Å; K111-Q114 PolarHBondContact O-N 2.97Å; D112-Q114 VanDerWaalsContact C-N 3.35Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q114-K117 PolarHBondContact O-N 3.47Å; Q114-Q118 WeakPolarHBondContact O-CG 2.92Å; Q114-Q118 PolarHBondContact O-N 3.47Å
115L89Confident80.5Confident65 Ų65115.5 Ų115.534%0.3455%0.554SS.*Hα-helixtrans-66.4-35.1176.9-72.2172000112K111 D112 Q118 R119K111-L115 HydrophobicContact CG-CD1 4.23Å; K111-L115 WeakPolarHBondContact O-CB 3.48Å; K111-L115 VanDerWaalsContact O-CG 3.31Å; K111-L115 WeakPolarHBondContact O-CG 3.26Å; K111-L115 PolarHBondContact O-N 2.89Å; D112-L115 PolarHBondContact O-N 3.35Å; L115-Q118 PolarHBondContact O-N 3.36Å; L115-R119 WeakPolarHBondContact O-CB 3.29Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.32Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 PolarHBondContact O-NE 3.08Å
116Q84.5Confident78.4Confident109 Ų109114.7 Ų114.751%0.50955%0.553SS.*Hα-helixtrans-67.7-41.8175.5-172.1174.16.400111.2D112 E113 Q114 Q118 R119 N120D112-Q116 VanDerWaalsContact O-CB 3.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.39Å; D112-Q116 PolarHBondContact O-N 3.06Å; E113-Q116 PolarHBondContact O-N 2.93Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-Q118 VanDerWaalsContact C-N 3.34Å; Q116-Q118 PolarHBondContact O-N 2.95Å; Q116-R119 PolarHBondContact O-N 3.42Å; Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 3.28Å
117K84.7Confident76.2Confident126 Ų126116.4 Ų116.455%0.54856%0.563SS.*Hα-helixtrans-60.4-42.3173.1-72.4170.7-174169.40111.6E113 Q114 I121E113-K117 VanDerWaalsContact O-CG 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.32Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 WeakPolarHBondContact OE1-CE 3.47Å; E113-K117 IonicContact OE1-NZ 3.44Å; E113-K117 PolarHBondContact OE1-NZ 3.34Å; Q114-K117 PolarHBondContact O-N 3.47Å; K117-I121 WeakPolarHBondContact O-CG1 3.36Å; K117-I121 PolarHBondContact O-N 3.38Å
118Q83.1Confident74.2Confident113 Ų113116 Ų11653%0.52857%0.568SS.*Hα-helixtrans-67.8-38.6176-71.8179.2-1.300113.5Q114 L115 Q116 I121Q114-Q118 WeakPolarHBondContact O-CG 2.92Å; Q114-Q118 PolarHBondContact O-N 3.47Å; L115-Q118 PolarHBondContact O-N 3.36Å; Q116-Q118 VanDerWaalsContact C-N 3.34Å; Q116-Q118 PolarHBondContact O-N 2.95Å; Q118-I121 PolarHBondContact O-N 3.17Å
119R77.9Confident71.6Confident156 Ų156113.6 Ų113.659%0.58957%0.565SS**Hα-helixtrans-69.9-34.2178.2-75.2-178.4-69.6-176.70.2112.9L115 Q116 I121 L122L115-R119 WeakPolarHBondContact O-CB 3.29Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.32Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 PolarHBondContact O-NE 3.08Å; Q116-R119 PolarHBondContact O-N 3.42Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.26Å; R119-L122 PolarHBondContact O-N 3.16Å
120N65.3Low69.2Low80 Ų80115 Ų11543%0.42857%0.571SS.*Hα-helixtrans-73.4-19.5177.3-79.1-12.3000113.4Q116 L122 L123 T124Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 3.28Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 PolarHBondContact O-N 3.06Å; N120-L123 PolarHBondContact O-N 3.35Å; N120-T124 PolarHBondContact O-N 3.07Å; N120-T124 VanDerWaalsContact O-N 3.1Å; N120-T124 PolarHBondContact O-OG1 3.37Å
121I59.4Low66.8Low97 Ų97113.3 Ų113.350%0.49758%0.576SS.*Hα-helixtrans-63.7-35.5172.7-66.1164.1000110.4K117 Q118 R119 L123 E125K117-I121 WeakPolarHBondContact O-CG1 3.36Å; K117-I121 PolarHBondContact O-N 3.38Å; Q118-I121 PolarHBondContact O-N 3.17Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.26Å; I121-L123 VanDerWaalsContact C-N 3.35Å; I121-L123 PolarHBondContact O-N 3.4Å; I121-E125 PolarHBondContact O-N 3.47Å
122L54.5Low64.4Low119 Ų119113.8 Ų113.862%0.62359%0.585SS**Hα-helixtrans-76.2-15.9176.8-104.1168.1000114.7R119 N120 L126R119-L122 PolarHBondContact O-N 3.16Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 PolarHBondContact O-N 3.06Å; L122-L126 HydrophobicContact CD2-CD1 4.03Å; L122-L126 VanDerWaalsContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CB 3.3Å
123L54.7Low61.9Low137 Ų137118.8 Ų118.872%0.71760%0.602SS**Hα-helixtrans-100.2-21.2-179.5-88149.5000112.9N120 I121N120-L123 PolarHBondContact O-N 3.35Å; I121-L123 VanDerWaalsContact C-N 3.35Å; I121-L123 PolarHBondContact O-N 3.4Å
124T53.3Low59.5Low107 Ų107123 Ų12366%0.65662%0.621SS**Hα-helixtrans-101.1-28.1179-52.20000112.9N120N120-T124 PolarHBondContact O-N 3.07Å; N120-T124 VanDerWaalsContact O-N 3.1Å; N120-T124 PolarHBondContact O-OG1 3.37Å
125E53.4Low57.2Low109 Ų109126.3 Ų126.351%0.50963%0.634SS.*SBendtrans-97.3-11.5177.4-77.4-175.9161.400114.7I121 D127 E128 T129I121-E125 PolarHBondContact O-N 3.47Å; E125-D127 PolarHBondContact O-N 3.04Å; E125-E128 PolarHBondContact O-N 3.48Å; E125-T129 CarbonylContact O-C 3.46Å; E125-T129 PolarHBondContact O-N 3.13Å
126L50.6Low54.8Low121 Ų121132.5 Ų132.563%0.63466%0.661SS**THydrogen-bonded Turntrans-73.8-11.6176.5-152.981.3000113.3L122L122-L126 HydrophobicContact CD2-CD1 4.03Å; L122-L126 VanDerWaalsContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CB 3.3Å
127D48.6Very low52.8Low143 Ų143133.1 Ų133.177%0.76567%0.672SS**THydrogen-bonded Turntrans-95.7-16.8171.9-153.222.9000112.9E125E125-D127 PolarHBondContact O-N 3.04Å
128E51.3Low50.5Low159 Ų159134.2 Ų134.274%0.74368%0.684SS**THydrogen-bonded Turntrans-125.6-17-172.1-68-71.7157.400114.8E125E125-E128 PolarHBondContact O-N 3.48Å
129T42.7Very low48.5Very low85 Ų85135.2 Ų135.252%0.52170%0.698SS.*  trans-151.872.9177.143.20000112.4E125 P131E125-T129 CarbonylContact O-C 3.46Å; E125-T129 PolarHBondContact O-N 3.13Å; T129-P131 WeakPolarHBondContact O-CD 3.47Å
130S40.1Very low46.9Very low85 Ų85132.7 Ų132.759%0.59470%0.702SS**  trans-76106161.2-179.30000109.3L132S130-L132 PolarHBondContact O-N 2.89Å; S130-L132 VanDerWaalsContact O-N 3.09Å
131P44.2Very low45.7Very low121 Ų121137.6 Ų137.679%0.78672%0.719SS**  trans-91.259.3178.334.1-18.6000107.7T129T129-P131 WeakPolarHBondContact O-CD 3.47Å
132L42.6Very low45Very low148 Ų148141.5 Ų141.578%0.77574%0.735SS**  trans-127.539.3-179.7-126.9101.4000112.6S130S130-L132 PolarHBondContact O-N 2.89Å; S130-L132 VanDerWaalsContact O-N 3.09Å
133K40.5Very low44.8Very low198 Ų198142.4 Ų142.486%0.86174%0.74SS**SBendtrans-144.573.2163.9-74.3-171.1179.4179.60110.5
134E38.3Very low44.7Very low188 Ų188141.3 Ų141.388%0.87974%0.735SS**  trans-169.7142.6142.9-120.6167.3163.600112.5
135K42.2Very low45.2Very low187 Ų187145.4 Ų145.481%0.81374%0.739SS**  trans88.571.2173.9-56.3-177.2-179.3-178.50116.7V137K135-V137 PolarHBondContact O-N 3.32Å
136Q39.3Very low45.4Very low195 Ų195146.3 Ų146.391%0.91175%0.748SS**  -52.5119.3119.5-81.8177.6-49.400107.3
137V41.3Very low46Very low121 Ų121147 Ų14773%0.73376%0.756SS**  trans169.5114.9150156.60000107.6K135K135-V137 PolarHBondContact O-N 3.32Å
138D37.1Very low46.6Very low150 Ų150146.4 Ų146.480%0.80276%0.758SS**  trans68.8108.5155.6-58.1-21.6000122.7
139T40.5Very low47.3Very low133 Ų133146.1 Ų146.182%0.81676%0.76SS**  trans-29.8158.3147.2-110000113.6
140P44.1Very low48.2Very low104 Ų104147.6 Ų147.668%0.67577%0.771SS**  cis-157.9-175.233.737.3-10.6000119.4
141K40.3Very low49.2Very low182 Ų182150.3 Ų150.379%0.79178%0.779SS**  trans101.398.2153.9-62.5178.9-176.1176.10118.5L143K141-L143 PolarHBondContact O-N 3.06Å
142H46.1Very low49.6Very low180 Ų180156.3 Ų156.383%0.83380%0.799SS**  trans-43.2112.8151.7-177.9-88.4000111.3N144H142-N144 PolarHBondContact O-N 3.38Å
143L50.4Low50Low138 Ų138156.8 Ų156.872%0.72380%0.801SS**  trans-79.7116.1173.8-69.6170.2000109K141K141-L143 PolarHBondContact O-N 3.06Å
144N52.1Low50.5Low113 Ų113154.6 Ų154.660%0.60480%0.798SS**  trans-83.4131.7173.2-173.55.9000109.6H142 D146H142-N144 PolarHBondContact O-N 3.38Å; N144-D146 PolarHBondContact OD1-OD2 3.31Å
145Y63.1Low51.1Low193 Ų193152.7 Ų152.776%0.75779%0.793SS**  trans-90.85.7-171.9-75-79.8000115V147Y145-V147 VanDerWaalsContact C-N 3.3Å; Y145-V147 PolarHBondContact O-N 3.46Å
146D59Low51.7Low128 Ų128150.7 Ų150.768%0.68479%0.792SS**THydrogen-bonded Turntrans-83.313.1-169.9-61.1-23.2000115.8N144N144-D146 PolarHBondContact OD1-OD2 3.31Å
147V62.7Low52.4Low135 Ų135147.9 Ų147.982%0.81878%0.784SS**THydrogen-bonded Turntrans-123.730.2-177.4-170.50000112.9Y145Y145-V147 VanDerWaalsContact C-N 3.3Å; Y145-V147 PolarHBondContact O-N 3.46Å
148V61.6Low53.2Low131 Ų131149.7 Ų149.779%0.79479%0.788SS**  trans-129.256.8169.7-1640000110.2
149I66Low54.3Low153 Ų153149.7 Ų149.779%0.78579%0.787SS**  trans-110.9114.5155.4-57178.5000104.9D151I149-D151 PolarHBondContact O-N 2.88Å
150P61.9Low55.4Low116 Ų116151 Ų15175%0.75379%0.785SS**  trans-68.6122.3170.125.6-22.2000107
151D60.2Low56.4Low142 Ų142154.9 Ų154.976%0.75979%0.794SS**  trans-60.4155.4171.6-152.211.9000109.9I149I149-D151 PolarHBondContact O-N 2.88Å
152M53Low57.8Low248 Ų248152.5 Ų152.5100%1.22279%0.794SS**  trans-59.90-163.8-29.3-169.2-167.200114.5

Retrieved 152 of 152 residues in 113.9 ms (Link to these results)