X5MK34_CAEEL Loading...

UBA domain-containing protein

AlphaFold DB , UniProt , Accession X5MK34, Species CAEEL (Caenorhabditis elegans), Gene spe-48, Length 75 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
1M43.8Very low45.6Very low225 Ų225105.1 Ų105.1100%1.10855%0.551SS**  076.50-71.2-178.1-91.300112.2
2K44.5Very low45.8Very low157 Ų157110.5 Ų110.568%0.68357%0.567SS**  trans-129.8-12.3175.8-80.2-174.1179.2178.90114.9
3A45.3Very low45.9Very low38 Ų38103.3 Ų103.331%0.31453%0.532SS..SBendtrans-71.2-37.2176.900000112.1R5 T6A3-R5 VanDerWaalsContact C-N 3.26Å; A3-R5 PolarHBondContact O-N 3.3Å; A3-T6 PolarHBondContact O-N 3.38Å
4C46.6Very low46.3Very low59 Ų5999.9 Ų99.940%0.39952%0.522SS..Hα-helixtrans-62.3-30.4179.9-50.40000113.5T6 V7 E8C4-T6 PolarHBondContact O-N 2.9Å; C4-V7 PolarHBondContact O-N 3.11Å; C4-E8 PolarHBondContact O-N 2.99Å
5R47.5Very low46.9Very low167 Ų16796.6 Ų96.663%0.6350%0.504SS*.Hα-helixtrans-73.4-21.6-175.9-77.1-175.9176.3176.20.2114.5A3A3-R5 VanDerWaalsContact C-N 3.26Å; A3-R5 PolarHBondContact O-N 3.3Å
6T45.7Very low47.6Very low71 Ų7198.8 Ų98.844%0.43652%0.517SS..Hα-helixtrans-75.5-32.2178.6-53.40000111A3 C4 L34A3-T6 PolarHBondContact O-N 3.38Å; C4-T6 PolarHBondContact O-N 2.9Å; T6-L34 HydrophobicContact CG2-CD2 4.19Å
7V48.7Very low48.4Very low9 Ų998.6 Ų98.66%0.05551%0.513CS..Hα-helixtrans-70.1-41.4176.7-175.40000110.7C4 K9 T10 I15C4-V7 PolarHBondContact O-N 3.11Å; V7-K9 VanDerWaalsContact C-N 3.32Å; V7-K9 PolarHBondContact O-N 3.04Å; V7-T10 PolarHBondContact O-N 2.98Å; V7-T10 PolarHBondContact O-OG1 3.47Å; V7-I15 HydrophobicContact CG1-CG1 4.2Å
8E43.6Very low49.4Very low111 Ų11193.3 Ų93.352%0.51949%0.486SS..Hα-helixtrans-58.5-35.4179-74.9173.6158.500114.2C4 T10 G11 I15C4-E8 PolarHBondContact O-N 2.99Å; E8-T10 PolarHBondContact O-N 3.38Å; E8-G11 PolarHBondContact O-N 2.91Å; E8-I15 HydrophobicContact CG-CD1 3.39Å; E8-I15 HydrophobicContact CG-CG1 4.21Å; E8-I15 WeakPolarHBondContact OE1-CD1 3.36Å
9K45.6Very low50.3Low192 Ų19292.2 Ų92.284%0.83548%0.48SS*.THydrogen-bonded Turntrans-72.3-9.5-174.6-82.5-172.3173.1-1720115.1V7V7-K9 VanDerWaalsContact C-N 3.32Å; V7-K9 PolarHBondContact O-N 3.04Å
10T46.8Very low51.3Low54 Ų5490.6 Ų90.633%0.33148%0.475SS..THydrogen-bonded Turntrans-96.1-1.5-179.356.50000114V7 E8 K12V7-T10 PolarHBondContact O-N 2.98Å; V7-T10 PolarHBondContact O-OG1 3.47Å; E8-T10 PolarHBondContact O-N 3.38Å; T10-K12 PolarHBondContact O-N 3.46Å
11G43.6Very low52.4Low73 Ų7386.8 Ų86.875%0.75346%0.455SS*.SBendtrans58.67.4170.500000116.3E8E8-G11 PolarHBondContact O-N 2.91Å
12K47.9Very low53.6Low170 Ų17077 Ų7774%0.73941%0.407SS*.SBendtrans-140.11.6-173.6-85.5-169.7174-178.80116T10 R50T10-K12 PolarHBondContact O-N 3.46Å; K12-R50 PolarHBondContact O-NH2 3.33Å
13S47.4Very low54.9Low17 Ų1775.4 Ų75.412%0.11941%0.405CS..  trans-115.4104.9167.2-76.90000108.4I15 L44S13-I15 PolarHBondContact O-N 3.28Å; S13-I15 VanDerWaalsContact O-N 3.08Å; S13-L44 VanDerWaalsContact OG-CD1 3.32Å; S13-L44 WeakPolarHBondContact OG-CD1 3.36Å
14S51.3Low56.2Low56 Ų5681.1 Ų81.139%0.39243%0.425SS..  trans-52.1116.9157.837.40000106.4D16 E17S14-D16 PolarHBondContact O-N 3.49Å; S14-E17 PolarHBondContact O-N 3.5Å
15I54.5Low57.2Low50 Ų5079.8 Ų79.826%0.25642%0.416SS..Hα-helixtrans-48.2-29179.4-63.6172.8000110.5V7 E8 S13 E17 L19V7-I15 HydrophobicContact CG1-CG1 4.2Å; E8-I15 HydrophobicContact CG-CD1 3.39Å; E8-I15 HydrophobicContact CG-CG1 4.21Å; E8-I15 WeakPolarHBondContact OE1-CD1 3.36Å; S13-I15 PolarHBondContact O-N 3.28Å; S13-I15 VanDerWaalsContact O-N 3.08Å; I15-E17 PolarHBondContact O-N 2.93Å; I15-L19 HydrophobicContact CG2-CD1 3.73Å; I15-L19 WeakPolarHBondContact O-CB 3.5Å; I15-L19 PolarHBondContact O-N 3.09Å
16D59Low58.5Low132 Ų13279 Ų7971%0.70642%0.424SS*.Hα-helixtrans-58.2-30.9-176.8-67-26.4000116.3S14 P20S14-D16 PolarHBondContact O-N 3.49Å; D16-P20 WeakPolarHBondContact O-CD 3.33Å; D16-P20 WeakPolarHBondContact O-CG 3.24Å
17E61.7Low60Low95 Ų9577.3 Ų77.344%0.44441%0.412SS..Hα-helixtrans-102.3-31.2-176.3-66.4-176.1151.900113.4S14 I15 P20 R50 F54S14-E17 PolarHBondContact O-N 3.5Å; I15-E17 PolarHBondContact O-N 2.93Å; E17-P20 WeakPolarHBondContact O-CD 3.26Å; E17-R50 VanDerWaalsContact OE2-CD 3.24Å; E17-R50 WeakPolarHBondContact OE2-CD 3.31Å; E17-R50 IonicContact OE2-CZ 3.05Å; E17-R50 IonicContact OE2-NE 2.72Å; E17-R50 IonicContact OE2-NH1 2.69Å; E17-R50 PolarHBondContact OE2-NH1 3Å; E17-F54 HydrophobicContact CB-CE2 4.41Å
18T65.5Low61.3Low4 Ų482.8 Ų82.83%0.02545%0.451CS..Hα-helixtrans-78.1-29.9179.3-50.20000111.7F21 L22 F54T18-F21 PolarHBondContact O-N 3.11Å; T18-L22 HydrophobicContact CG2-CD1 4.07Å; T18-L22 HydrophobicContact CG2-CG 4.38Å; T18-L22 VanDerWaalsContact O-CG 3.31Å; T18-L22 WeakPolarHBondContact O-CG 3.3Å; T18-L22 PolarHBondContact O-N 3.13Å; T18-L22 VanDerWaalsContact O-N 3.08Å; T18-F54 HydrophobicContact CG2-CE1 4.48Å
19L66.6Low63.1Low71 Ų7181.4 Ų81.437%0.37245%0.447SS..Hα-helixtrans-63.7-49.4177.2-132.892.7000112.5I15 F21 L22 I23I15-L19 HydrophobicContact CG2-CD1 3.73Å; I15-L19 WeakPolarHBondContact O-CB 3.5Å; I15-L19 PolarHBondContact O-N 3.09Å; L19-F21 VanDerWaalsContact C-N 3.28Å; L19-F21 PolarHBondContact O-N 3.34Å; L19-L22 PolarHBondContact O-N 3.19Å; L19-I23 HydrophobicContact CD2-CD1 4.39Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 2.74Å
20P71.1Confident64.5Low60 Ų6077.8 Ų77.839%0.3943%0.432SS..Hα-helixtrans-56.8-41.3176-2735.1000112.8D16 E17 I23 Q24D16-P20 WeakPolarHBondContact O-CD 3.33Å; D16-P20 WeakPolarHBondContact O-CG 3.24Å; E17-P20 WeakPolarHBondContact O-CD 3.26Å; P20-I23 PolarHBondContact O-N 2.94Å; P20-Q24 VanDerWaalsContact O-CG 3.3Å; P20-Q24 WeakPolarHBondContact O-CG 3.49Å; P20-Q24 PolarHBondContact O-N 3.42Å
21F73.1Confident66Low11 Ų1181.6 Ų81.65%0.04845%0.447CS..Hα-helixtrans-58.3-50.7175.1166.8-109.6000112.1T18 L19 I23 Q24 C25 Y36 F54 V57 A58T18-F21 PolarHBondContact O-N 3.11Å; L19-F21 VanDerWaalsContact C-N 3.28Å; L19-F21 PolarHBondContact O-N 3.34Å; F21-I23 VanDerWaalsContact C-N 3.27Å; F21-I23 PolarHBondContact O-N 2.69Å; F21-Q24 WeakPolarHBondContact O-CB 3.45Å; F21-Q24 PolarHBondContact O-N 3.41Å; F21-Q24 VanDerWaalsContact O-N 3.11Å; F21-C25 VanDerWaalsContact CE2-SG 3.52Å; F21-C25 VanDerWaalsContact CZ-SG 3.58Å; F21-C25 PolarHBondContact O-N 3.48Å; F21-C25 PolarHBondContact O-SG 3.01Å; F21-C25 VanDerWaalsContact O-SG 3.38Å; F21-Y36 HydrophobicContact CE1-CD1 4.26Å; F21-Y36 HydrophobicContact CZ-CD1 4.29Å; F21-F54 HydrophobicContact CB-CD1 4.48Å; F21-F54 HydrophobicContact CB-CD2 4.03Å; F21-F54 HydrophobicContact CB-CE2 4.27Å; F21-F54 HydrophobicContact CB-CG 4.14Å; F21-F54 AromaticContact CD1-CD1 3.98Å; F21-F54 HydrophobicContact CD1-CD1 3.98Å; F21-F54 HydrophobicContact CD1-CE1 4.4Å; F21-F54 HydrophobicContact CD1-CG 4.27Å; F21-F54 HydrophobicContact CD2-CB 3.54Å; F21-F54 HydrophobicContact CD2-CD1 4.4Å; F21-F54 HydrophobicContact CD2-CD2 4.44Å; F21-F54 AromaticContact CD2-CG 3.9Å; F21-F54 HydrophobicContact CD2-CG 3.9Å; F21-F54 HydrophobicContact CE1-CD1 4.32Å; F21-F54 HydrophobicContact CE2-CB 3.71Å; F21-F54 HydrophobicContact CE2-CG 4.37Å; F21-F54 WeakPolarHBondContact CE2-O 3.47Å; F21-F54 HydrophobicContact CG-CB 4Å; F21-F54 HydrophobicContact CG-CD1 4.01Å; F21-F54 HydrophobicContact CG-CD2 4.22Å; F21-F54 AromaticContact CG-CG 3.82Å; F21-F54 HydrophobicContact CG-CG 3.82Å; F21-F54 HydrophobicContact CZ-CB 4.33Å; F21-F54 WeakPolarHBondContact CZ-O 3.06Å; F21-V57 HydrophobicContact CE1-CG1 4.18Å; F21-V57 HydrophobicContact CZ-CB 4.05Å; F21-V57 HydrophobicContact CZ-CG1 3.95Å; F21-A58 HydrophobicContact CE2-CB 3.75Å; F21-A58 HydrophobicContact CZ-CB 4.16Å
22L70Confident67.8Low19 Ų1980.7 Ų80.710%0.09943%0.427CS..Hα-helixtrans-63.9-33.9-179.4-68.2168.7000112.3T18 L19 L27 I33T18-L22 HydrophobicContact CG2-CD1 4.07Å; T18-L22 HydrophobicContact CG2-CG 4.38Å; T18-L22 VanDerWaalsContact O-CG 3.31Å; T18-L22 WeakPolarHBondContact O-CG 3.3Å; T18-L22 PolarHBondContact O-N 3.13Å; T18-L22 VanDerWaalsContact O-N 3.08Å; L19-L22 PolarHBondContact O-N 3.19Å; L22-L27 HydrophobicContact CD2-CD1 4.17Å; L22-I33 HydrophobicContact CD1-CG2 4.07Å; L22-I33 HydrophobicContact CD2-CG2 4.39Å
23I71.5Confident69.3Low124 Ų12474.6 Ų74.664%0.63640%0.402SS*.Hα-helixtrans-66-44173.1-67.4165.4000110.5L19 P20 F21 C25 N26L19-I23 HydrophobicContact CD2-CD1 4.39Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 2.74Å; P20-I23 PolarHBondContact O-N 2.94Å; F21-I23 VanDerWaalsContact C-N 3.27Å; F21-I23 PolarHBondContact O-N 2.69Å; I23-C25 VanDerWaalsContact C-N 3.27Å; I23-C25 PolarHBondContact O-N 2.72Å; I23-N26 PolarHBondContact O-N 3.35Å; I23-N26 VanDerWaalsContact O-N 3.11Å
24Q73.1Confident70.9Confident159 Ų15975.9 Ų75.974%0.74341%0.407SS*.Hα-helixtrans-64.1-29.6178.4-74.8174.3-3.900113.1P20 F21 N26P20-Q24 VanDerWaalsContact O-CG 3.3Å; P20-Q24 WeakPolarHBondContact O-CG 3.49Å; P20-Q24 PolarHBondContact O-N 3.42Å; F21-Q24 WeakPolarHBondContact O-CB 3.45Å; F21-Q24 PolarHBondContact O-N 3.41Å; F21-Q24 VanDerWaalsContact O-N 3.11Å; Q24-N26 PolarHBondContact O-N 3.1Å; Q24-N26 VanDerWaalsContact O-N 3.14Å
25C68Low72.4Confident31 Ų3175.7 Ų75.721%0.20941%0.406CS..THydrogen-bonded Turntrans-69.7-2.3175.2-67.40000113.9F21 I23 L27 Y36F21-C25 VanDerWaalsContact CE2-SG 3.52Å; F21-C25 VanDerWaalsContact CZ-SG 3.58Å; F21-C25 PolarHBondContact O-N 3.48Å; F21-C25 PolarHBondContact O-SG 3.01Å; F21-C25 VanDerWaalsContact O-SG 3.38Å; I23-C25 VanDerWaalsContact C-N 3.27Å; I23-C25 PolarHBondContact O-N 2.72Å; C25-L27 HydrophobicContact CB-CD1 3.82Å; C25-L27 HydrophobicContact CB-CD2 3.94Å; C25-L27 HydrophobicContact CB-CG 3.53Å; C25-L27 WeakPolarHBondContact O-CD2 3.24Å; C25-L27 PolarHBondContact O-N 3.18Å; C25-L27 VanDerWaalsContact O-N 3.14Å; C25-Y36 HydrophobicContact CB-CE1 4.25Å
26N73.9Confident74Confident149 Ų14974.1 Ų74.180%0.79740%0.397SS*.THydrogen-bonded Turntrans49.538.4-180-162.937.3000113I23 Q24 S28I23-N26 PolarHBondContact O-N 3.35Å; I23-N26 VanDerWaalsContact O-N 3.11Å; Q24-N26 PolarHBondContact O-N 3.1Å; Q24-N26 VanDerWaalsContact O-N 3.14Å; N26-S28 PolarHBondContact O-N 3.28Å
27L77.1Confident75.3Confident36 Ų3668.5 Ų68.519%0.18837%0.368CS..  trans-80.3117.3-176.7-55.6176.1000109.4L22 C25 V32 I33 Y36L22-L27 HydrophobicContact CD2-CD1 4.17Å; C25-L27 HydrophobicContact CB-CD1 3.82Å; C25-L27 HydrophobicContact CB-CD2 3.94Å; C25-L27 HydrophobicContact CB-CG 3.53Å; C25-L27 WeakPolarHBondContact O-CD2 3.24Å; C25-L27 PolarHBondContact O-N 3.18Å; C25-L27 VanDerWaalsContact O-N 3.14Å; L27-V32 HydrophobicContact CD1-CG1 4.3Å; L27-V32 HydrophobicContact CD2-CG1 3.75Å; L27-V32 HydrophobicContact CG-CG1 4.47Å; L27-I33 HydrophobicContact CB-CD1 4.28Å; L27-I33 HydrophobicContact CB-CG1 3.58Å; L27-I33 HydrophobicContact CD1-CG1 4.01Å; L27-I33 HydrophobicContact CG-CG1 4.45Å; L27-Y36 HydrophobicContact CD1-CD1 3.74Å; L27-Y36 HydrophobicContact CD1-CD2 4.23Å; L27-Y36 HydrophobicContact CD1-CE1 4Å; L27-Y36 HydrophobicContact CD1-CE2 4.46Å; L27-Y36 HydrophobicContact CD1-CG 3.84Å; L27-Y36 HydrophobicContact CD2-CE1 4.19Å; L27-Y36 HydrophobicContact CD2-CE2 4.41Å
28S76.5Confident76.4Confident125 Ų12570 Ų7087%0.87438%0.375SS*.  trans-94.2-21.4176.453.20000112.9N26N26-S28 PolarHBondContact O-N 3.28Å
29D80.1Confident77.6Confident82 Ų8270.2 Ų70.244%0.43938%0.376SS..  trans-92.3122.8-178.7-168.5-49.5000111.4M31 V32 I33D29-M31 VanDerWaalsContact C-N 3.3Å; D29-M31 PolarHBondContact O-N 3.45Å; D29-M31 WeakPolarHBondContact OD1-CA 3.3Å; D29-M31 VanDerWaalsContact OD1-CB 3.31Å; D29-M31 WeakPolarHBondContact OD1-CB 3.47Å; D29-M31 PolarHBondContact OD1-N 3.23Å; D29-V32 HydrophobicContact CB-CB 4.09Å; D29-V32 HydrophobicContact CB-CG2 3.71Å; D29-V32 WeakPolarHBondContact O-CB 3.03Å; D29-V32 PolarHBondContact O-N 2.85Å; D29-V32 VanDerWaalsContact O-N 3.15Å; D29-V32 PolarHBondContact OD1-N 3.39Å; D29-I33 WeakPolarHBondContact O-CG1 3.3Å; D29-I33 PolarHBondContact O-N 3.05Å
30K75.8Confident78.6Confident116 Ų11666.9 Ų66.950%0.50436%0.359SS..Hα-helixtrans-59.3-36.9179.2-179.2-174.6168.7-159.70113.2V32 I33 L34K30-V32 VanDerWaalsContact C-N 3.33Å; K30-I33 PolarHBondContact O-N 3.14Å; K30-L34 HydrophobicContact CG-CD1 4.47Å; K30-L34 WeakPolarHBondContact O-CG 3.18Å; K30-L34 PolarHBondContact O-N 3.36Å
31M78.7Confident79.3Confident133 Ų13364.8 Ų64.866%0.65535%0.346SS*.Hα-helixtrans-69.1-36.2178.4-63-58.7-69.200110.8D29 L34 S35D29-M31 VanDerWaalsContact C-N 3.3Å; D29-M31 PolarHBondContact O-N 3.45Å; D29-M31 WeakPolarHBondContact OD1-CA 3.3Å; D29-M31 VanDerWaalsContact OD1-CB 3.31Å; D29-M31 WeakPolarHBondContact OD1-CB 3.47Å; D29-M31 PolarHBondContact OD1-N 3.23Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L34 HydrophobicContact SD-CD1 4.47Å; M31-S35 WeakPolarHBondContact O-CB 3.24Å; M31-S35 PolarHBondContact O-N 3.28Å
32V80.3Confident80Confident55 Ų5566.4 Ų66.433%0.33336%0.355SS..Hα-helixtrans-67.6-42.6175.2-177.60000110.8L27 D29 K30 L34 S35 Y36L27-V32 HydrophobicContact CD1-CG1 4.3Å; L27-V32 HydrophobicContact CD2-CG1 3.75Å; L27-V32 HydrophobicContact CG-CG1 4.47Å; D29-V32 HydrophobicContact CB-CB 4.09Å; D29-V32 HydrophobicContact CB-CG2 3.71Å; D29-V32 WeakPolarHBondContact O-CB 3.03Å; D29-V32 PolarHBondContact O-N 2.85Å; D29-V32 VanDerWaalsContact O-N 3.15Å; D29-V32 PolarHBondContact OD1-N 3.39Å; K30-V32 VanDerWaalsContact C-N 3.33Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.28Å; V32-S35 PolarHBondContact O-N 2.89Å; V32-Y36 HydrophobicContact CG1-CD2 3.86Å; V32-Y36 HydrophobicContact CG1-CE2 3.53Å; V32-Y36 WeakPolarHBondContact O-CD2 3.37Å; V32-Y36 PolarHBondContact O-N 3.44Å
33I79.1Confident80.9Confident41 Ų4165.6 Ų65.621%0.2135%0.35CS..Hα-helixtrans-58.1-45.1174.1-66.8167.2000111.3L22 L27 D29 K30 Y36 S37L22-I33 HydrophobicContact CD1-CG2 4.07Å; L22-I33 HydrophobicContact CD2-CG2 4.39Å; L27-I33 HydrophobicContact CB-CD1 4.28Å; L27-I33 HydrophobicContact CB-CG1 3.58Å; L27-I33 HydrophobicContact CD1-CG1 4.01Å; L27-I33 HydrophobicContact CG-CG1 4.45Å; D29-I33 WeakPolarHBondContact O-CG1 3.3Å; D29-I33 PolarHBondContact O-N 3.05Å; K30-I33 PolarHBondContact O-N 3.14Å; I33-Y36 PolarHBondContact O-N 3.27Å; I33-S37 WeakPolarHBondContact O-CB 2.99Å; I33-S37 PolarHBondContact O-N 2.83Å
34L81.2Confident81.6Confident44 Ų4461.5 Ų61.523%0.2333%0.33CS..Hα-helixtrans-64.7-42.1178.2-72.9173.4000111.7T6 K30 M31 V32 S37 E38T6-L34 HydrophobicContact CG2-CD2 4.19Å; K30-L34 HydrophobicContact CG-CD1 4.47Å; K30-L34 WeakPolarHBondContact O-CG 3.18Å; K30-L34 PolarHBondContact O-N 3.36Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L34 HydrophobicContact SD-CD1 4.47Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.28Å; L34-S37 PolarHBondContact O-N 3.34Å; L34-E38 WeakPolarHBondContact O-CB 3.47Å; L34-E38 PolarHBondContact O-N 3.28Å
35S84.4Confident82.3Confident52 Ų5260.9 Ų60.936%0.36432%0.324SS..Hα-helixtrans-60.3-47.2176.1174.70000111.6M31 V32 S37 E38 V39M31-S35 WeakPolarHBondContact O-CB 3.24Å; M31-S35 PolarHBondContact O-N 3.28Å; V32-S35 PolarHBondContact O-N 2.89Å; S35-S37 VanDerWaalsContact C-N 3.33Å; S35-S37 PolarHBondContact O-N 3.33Å; S35-E38 PolarHBondContact O-N 2.84Å; S35-E38 VanDerWaalsContact O-N 3.15Å; S35-V39 VanDerWaalsContact O-CG2 3.31Å; S35-V39 WeakPolarHBondContact O-CG2 3.23Å; S35-V39 PolarHBondContact O-N 3.21Å
36Y88.3Confident83.3Confident18 Ų1864.6 Ų64.67%0.07134%0.34CS..Hα-helixtrans-61.6-43.3177.2-84.1-132.9000111.4F21 C25 L27 V32 I33 E38 V39 C40 V57 K61 G62F21-Y36 HydrophobicContact CE1-CD1 4.26Å; F21-Y36 HydrophobicContact CZ-CD1 4.29Å; C25-Y36 HydrophobicContact CB-CE1 4.25Å; L27-Y36 HydrophobicContact CD1-CD1 3.74Å; L27-Y36 HydrophobicContact CD1-CD2 4.23Å; L27-Y36 HydrophobicContact CD1-CE1 4Å; L27-Y36 HydrophobicContact CD1-CE2 4.46Å; L27-Y36 HydrophobicContact CD1-CG 3.84Å; L27-Y36 HydrophobicContact CD2-CE1 4.19Å; L27-Y36 HydrophobicContact CD2-CE2 4.41Å; V32-Y36 HydrophobicContact CG1-CD2 3.86Å; V32-Y36 HydrophobicContact CG1-CE2 3.53Å; V32-Y36 WeakPolarHBondContact O-CD2 3.37Å; V32-Y36 PolarHBondContact O-N 3.44Å; I33-Y36 PolarHBondContact O-N 3.27Å; Y36-E38 VanDerWaalsContact C-N 3.29Å; Y36-E38 PolarHBondContact O-N 2.92Å; Y36-V39 PolarHBondContact O-N 2.87Å; Y36-C40 WeakPolarHBondContact O-CB 3.25Å; Y36-C40 PolarHBondContact O-N 3.07Å; Y36-C40 PolarHBondContact O-SG 3.19Å; Y36-C40 VanDerWaalsContact O-SG 3.34Å; Y36-V57 HydrophobicContact CD1-CG1 3.72Å; Y36-V57 HydrophobicContact CE1-CG1 4.31Å; Y36-V57 HydrophobicContact CG-CG1 4.05Å; Y36-K61 VanDerWaalsContact CE2-C 3.41Å; Y36-K61 WeakPolarHBondContact CE2-O 3.33Å; Y36-K61 WeakPolarHBondContact OH-CA 3.34Å; Y36-K61 PolarHBondContact OH-O 3.44Å; Y36-G62 VanDerWaalsContact CE2-CA 3.46Å
37S84.4Confident84Confident13 Ų1360.7 Ų60.79%0.09134%0.335CS..Hα-helixtrans-61.9-37.5176.5-1780000112.4I33 L34 S35 S41I33-S37 WeakPolarHBondContact O-CB 2.99Å; I33-S37 PolarHBondContact O-N 2.83Å; L34-S37 PolarHBondContact O-N 3.34Å; S35-S37 VanDerWaalsContact C-N 3.33Å; S35-S37 PolarHBondContact O-N 3.33Å; S37-S41 VanDerWaalsContact O-CB 3.3Å; S37-S41 WeakPolarHBondContact O-CB 3.22Å; S37-S41 PolarHBondContact O-N 3.04Å
38E86.3Confident84.5Confident126 Ų12660.8 Ų60.859%0.58933%0.334SS*.Hα-helixtrans-68.6-44.5178.1-174.4167.6-164.200111.2L34 S35 Y36 S41 N42L34-E38 WeakPolarHBondContact O-CB 3.47Å; L34-E38 PolarHBondContact O-N 3.28Å; S35-E38 PolarHBondContact O-N 2.84Å; S35-E38 VanDerWaalsContact O-N 3.15Å; Y36-E38 VanDerWaalsContact C-N 3.29Å; Y36-E38 PolarHBondContact O-N 2.92Å; E38-S41 WeakPolarHBondContact O-CB 3.32Å; E38-S41 PolarHBondContact O-N 3.1Å; E38-N42 VanDerWaalsContact O-CG 3.29Å; E38-N42 PolarHBondContact O-N 2.93Å; E38-N42 PolarHBondContact O-ND2 3.43Å
39V89.9Confident85.1Confident9 Ų957.7 Ų57.76%0.05531%0.311CS..Hα-helixtrans-61.6-47.5175.51800000111.2S35 Y36 S41 N42 L43 V57 G62 Q64S35-V39 VanDerWaalsContact O-CG2 3.31Å; S35-V39 WeakPolarHBondContact O-CG2 3.23Å; S35-V39 PolarHBondContact O-N 3.21Å; Y36-V39 PolarHBondContact O-N 2.87Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 2.98Å; V39-N42 PolarHBondContact O-N 3.48Å; V39-L43 HydrophobicContact CG1-CD1 3.86Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CG 3.36Å; V39-L43 PolarHBondContact O-N 3.17Å; V39-V57 HydrophobicContact CB-CG2 4.39Å; V39-V57 HydrophobicContact CG1-CG2 3.68Å; V39-G62 WeakPolarHBondContact CG2-O 3.49Å; V39-Q64 HydrophobicContact CG1-CB 3.93Å; V39-Q64 HydrophobicContact CG1-CG 4.18Å; V39-Q64 HydrophobicContact CG2-CB 3.96Å
40C87.6Confident85.3Confident2 Ų257.7 Ų57.71%0.01431%0.305CS..Hα-helixtrans-57.3-44.3175.4-72.60000111.8Y36 N42 L43 L44 I53 F54Y36-C40 WeakPolarHBondContact O-CB 3.25Å; Y36-C40 PolarHBondContact O-N 3.07Å; Y36-C40 PolarHBondContact O-SG 3.19Å; Y36-C40 VanDerWaalsContact O-SG 3.34Å; C40-N42 PolarHBondContact O-N 2.93Å; C40-L43 PolarHBondContact O-N 3.37Å; C40-L44 WeakPolarHBondContact O-CB 3.29Å; C40-L44 VanDerWaalsContact O-CG 3.23Å; C40-L44 WeakPolarHBondContact O-CG 3.4Å; C40-L44 PolarHBondContact O-N 3.36Å; C40-I53 HydrophobicContact CB-CG2 4.1Å; C40-F54 HydrophobicContact CB-CE1 4.48Å
41S85.9Confident85.8Confident16 Ų1656.8 Ų56.811%0.11231%0.31CS..Hα-helixtrans-61-42.6177.1174.50000112.3S37 E38 V39 L44 K45S37-S41 VanDerWaalsContact O-CB 3.3Å; S37-S41 WeakPolarHBondContact O-CB 3.22Å; S37-S41 PolarHBondContact O-N 3.04Å; E38-S41 WeakPolarHBondContact O-CB 3.32Å; E38-S41 PolarHBondContact O-N 3.1Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 2.98Å; S41-L44 PolarHBondContact O-N 3.42Å; S41-K45 WeakPolarHBondContact O-CG 3.44Å; S41-K45 PolarHBondContact O-N 2.93Å; S41-K45 VanDerWaalsContact O-N 3.1Å
42N87.9Confident86.3Confident45 Ų4555.2 Ų55.224%0.24130%0.302CS..Hα-helixtrans-65.1-45.9178.6-70.7-17.8000111.5E38 V39 C40 L44 K45 M46 Q64E38-N42 VanDerWaalsContact O-CG 3.29Å; E38-N42 PolarHBondContact O-N 2.93Å; E38-N42 PolarHBondContact O-ND2 3.43Å; V39-N42 PolarHBondContact O-N 3.48Å; C40-N42 PolarHBondContact O-N 2.93Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 PolarHBondContact O-N 2.9Å; N42-K45 WeakPolarHBondContact O-CB 3.44Å; N42-K45 PolarHBondContact O-N 3.22Å; N42-M46 WeakPolarHBondContact O-CG 3.43Å; N42-M46 PolarHBondContact O-N 3.11Å; N42-Q64 PolarHBondContact ND2-OE1 3.45Å
43L88.4Confident86.8Confident1 Ų152.6 Ų52.61%0.00529%0.286CS..Hα-helixtrans-66.9-32.8178.4-63.1172.3000112.2V39 C40 M46 G47 F48 I53 V57 A67 L68 L71V39-L43 HydrophobicContact CG1-CD1 3.86Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CG 3.36Å; V39-L43 PolarHBondContact O-N 3.17Å; C40-L43 PolarHBondContact O-N 3.37Å; L43-M46 HydrophobicContact CD2-SD 4.08Å; L43-M46 WeakPolarHBondContact O-CB 3.16Å; L43-M46 PolarHBondContact O-N 3.41Å; L43-G47 PolarHBondContact O-N 2.94Å; L43-F48 HydrophobicContact CB-CD2 4.43Å; L43-F48 HydrophobicContact CD2-CD2 4.35Å; L43-F48 HydrophobicContact CD2-CE2 4.46Å; L43-F48 PolarHBondContact O-N 3.34Å; L43-I53 HydrophobicContact CB-CD1 3.8Å; L43-I53 HydrophobicContact CB-CG1 3.83Å; L43-I53 HydrophobicContact CB-CG2 3.96Å; L43-I53 HydrophobicContact CD1-CG2 3.99Å; L43-V57 HydrophobicContact CD1-CG2 3.76Å; L43-A67 HydrophobicContact CD1-CB 4.03Å; L43-L68 HydrophobicContact CD2-CB 4.19Å; L43-L68 HydrophobicContact CD2-CD1 4.1Å; L43-L71 HydrophobicContact CB-CD1 4.4Å; L43-L71 HydrophobicContact CD1-CD1 3.8Å; L43-L71 HydrophobicContact CD2-CD1 3.97Å; L43-L71 HydrophobicContact CG-CD1 4.27Å
44L87.4Confident87.3Confident38 Ų3852 Ų5220%0.19928%0.282CS..Hα-helixtrans-64.6-39172.6-77.9169.2000112.4S13 C40 S41 N42 M46 G47 R50 I53S13-L44 VanDerWaalsContact OG-CD1 3.32Å; S13-L44 WeakPolarHBondContact OG-CD1 3.36Å; C40-L44 WeakPolarHBondContact O-CB 3.29Å; C40-L44 VanDerWaalsContact O-CG 3.23Å; C40-L44 WeakPolarHBondContact O-CG 3.4Å; C40-L44 PolarHBondContact O-N 3.36Å; S41-L44 PolarHBondContact O-N 3.42Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 PolarHBondContact O-N 2.9Å; L44-M46 PolarHBondContact O-N 2.99Å; L44-G47 PolarHBondContact O-N 3.11Å; L44-G47 VanDerWaalsContact O-N 3.1Å; L44-R50 HydrophobicContact CD2-CG 3.48Å; L44-R50 VanDerWaalsContact CD2-CG 3.48Å; L44-I53 HydrophobicContact CB-CD1 4.31Å; L44-I53 HydrophobicContact CD2-CD1 3.57Å; L44-I53 HydrophobicContact CG-CD1 3.65Å
45K86.3Confident87.7Confident146 Ų14655.8 Ų55.864%0.63530%0.298SS*.Hα-helixtrans-64.9-27.3175-69.7169-173.7171.40112.2S41 N42 G47S41-K45 WeakPolarHBondContact O-CG 3.44Å; S41-K45 PolarHBondContact O-N 2.93Å; S41-K45 VanDerWaalsContact O-N 3.1Å; N42-K45 WeakPolarHBondContact O-CB 3.44Å; N42-K45 PolarHBondContact O-N 3.22Å; K45-G47 PolarHBondContact O-N 3.36Å
46M89.1Confident88Confident110 Ų11053.4 Ų53.454%0.54228%0.281SS..THydrogen-bonded Turntrans-77.8-7.5175.1-61.9176.277.900113.3N42 L43 L44 F48 L68N42-M46 WeakPolarHBondContact O-CG 3.43Å; N42-M46 PolarHBondContact O-N 3.11Å; L43-M46 HydrophobicContact CD2-SD 4.08Å; L43-M46 WeakPolarHBondContact O-CB 3.16Å; L43-M46 PolarHBondContact O-N 3.41Å; L44-M46 PolarHBondContact O-N 2.99Å; M46-F48 HydrophobicContact CB-CD2 3.77Å; M46-F48 HydrophobicContact CB-CE2 3.74Å; M46-F48 HydrophobicContact CE-CE2 4.14Å; M46-F48 HydrophobicContact SD-CE2 4.22Å; M46-L68 HydrophobicContact CE-CD1 3.59Å; M46-L68 HydrophobicContact CE-CD2 4.05Å; M46-L68 HydrophobicContact CE-CG 4.5Å; M46-L68 HydrophobicContact SD-CD1 4.07Å
47G88.5Confident88.1Confident66 Ų6652.5 Ų52.568%0.6828%0.278SS*.THydrogen-bonded Turntrans90.78.1174.900000115L43 L44 K45L43-G47 PolarHBondContact O-N 2.94Å; L44-G47 PolarHBondContact O-N 3.11Å; L44-G47 VanDerWaalsContact O-N 3.1Å; K45-G47 PolarHBondContact O-N 3.36Å
48F88.9Confident88.3Confident38 Ų3853.8 Ų53.817%0.16729%0.289CS..  trans-69.1147.1174.4-64.1-74.5000111.2L43 M46 I53 L68 L71 L72L43-F48 HydrophobicContact CB-CD2 4.43Å; L43-F48 HydrophobicContact CD2-CD2 4.35Å; L43-F48 HydrophobicContact CD2-CE2 4.46Å; L43-F48 PolarHBondContact O-N 3.34Å; M46-F48 HydrophobicContact CB-CD2 3.77Å; M46-F48 HydrophobicContact CB-CE2 3.74Å; M46-F48 HydrophobicContact CE-CE2 4.14Å; M46-F48 HydrophobicContact SD-CE2 4.22Å; F48-I53 HydrophobicContact CB-CD1 3.8Å; F48-I53 HydrophobicContact CB-CG1 3.65Å; F48-I53 VanDerWaalsContact O-CD1 3.26Å; F48-I53 WeakPolarHBondContact O-CD1 3.31Å; F48-L68 HydrophobicContact CE2-CD1 3.6Å; F48-L68 HydrophobicContact CZ-CD1 3.82Å; F48-L71 HydrophobicContact CB-CD1 4.18Å; F48-L71 HydrophobicContact CD1-CB 3.89Å; F48-L71 HydrophobicContact CD1-CD1 4.26Å; F48-L71 HydrophobicContact CD1-CD2 4.43Å; F48-L71 HydrophobicContact CD1-CG 4.43Å; F48-L71 HydrophobicContact CD2-CD1 3.95Å; F48-L71 HydrophobicContact CE1-CB 3.74Å; F48-L71 HydrophobicContact CE2-CB 4.5Å; F48-L71 HydrophobicContact CE2-CD1 4.39Å; F48-L71 HydrophobicContact CG-CB 4.35Å; F48-L71 HydrophobicContact CG-CD1 3.88Å; F48-L71 HydrophobicContact CZ-CB 4.06Å; F48-L72 HydrophobicContact CE1-CD2 4.46Å; F48-L72 HydrophobicContact CZ-CD2 3.96Å
49P87.6Confident88.5Confident60 Ų6051.2 Ų51.239%0.3928%0.282SS..  trans-73.2139.1178.929.8-34000111.2P51 Q52 I53P49-P51 VanDerWaalsContact C-CD 3.48Å; P49-Q52 HydrophobicContact CG-CB 4.05Å; P49-Q52 HydrophobicContact CG-CG 3.78Å; P49-Q52 VanDerWaalsContact CG-OE1 3.29Å; P49-Q52 PolarHBondContact O-N 3.21Å; P49-Q52 VanDerWaalsContact O-N 3.13Å; P49-I53 WeakPolarHBondContact O-CG1 3.48Å; P49-I53 PolarHBondContact O-N 3.18Å; P49-I53 VanDerWaalsContact O-N 3.11Å
50R85.4Confident88.6Confident82 Ų8251.8 Ų51.831%0.30928%0.284SS..Hα-helixtrans-47.5-47.7-177.5-75175.2-168.2146.25.1114.7K12 E17 L44 Q52 I53 F54K12-R50 PolarHBondContact O-NH2 3.33Å; E17-R50 VanDerWaalsContact OE2-CD 3.24Å; E17-R50 WeakPolarHBondContact OE2-CD 3.31Å; E17-R50 IonicContact OE2-CZ 3.05Å; E17-R50 IonicContact OE2-NE 2.72Å; E17-R50 IonicContact OE2-NH1 2.69Å; E17-R50 PolarHBondContact OE2-NH1 3Å; L44-R50 HydrophobicContact CD2-CG 3.48Å; L44-R50 VanDerWaalsContact CD2-CG 3.48Å; R50-Q52 VanDerWaalsContact C-N 3.31Å; R50-Q52 PolarHBondContact O-N 2.94Å; R50-I53 PolarHBondContact O-N 3.38Å; R50-F54 HydrophobicContact CB-CE2 4.28Å; R50-F54 HydrophobicContact CB-CZ 4.29Å; R50-F54 HydrophobicContact CG-CZ 4.44Å; R50-F54 VanDerWaalsContact O-CG 3.3Å; R50-F54 WeakPolarHBondContact O-CG 3.21Å; R50-F54 PolarHBondContact O-N 3.14Å
51P87Confident88.8Confident97 Ų9759.5 Ų59.563%0.6332%0.317SS*.Hα-helixtrans-60-41.1-177.5-24.635.6000112.8P49 F54 E55P49-P51 VanDerWaalsContact C-CD 3.48Å; P51-F54 PolarHBondContact O-N 3.05Å; P51-E55 WeakPolarHBondContact O-CB 3.21Å; P51-E55 PolarHBondContact O-N 3.08Å; P51-E55 VanDerWaalsContact O-N 3.09Å
52Q89.4Confident88.8Confident100 Ų10059.1 Ų59.147%0.46732%0.316SS..Hα-helixtrans-70-39178.7-63.3177.43.500111.2P49 R50 A56 L71P49-Q52 HydrophobicContact CG-CB 4.05Å; P49-Q52 HydrophobicContact CG-CG 3.78Å; P49-Q52 VanDerWaalsContact CG-OE1 3.29Å; P49-Q52 PolarHBondContact O-N 3.21Å; P49-Q52 VanDerWaalsContact O-N 3.13Å; R50-Q52 VanDerWaalsContact C-N 3.31Å; R50-Q52 PolarHBondContact O-N 2.94Å; Q52-A56 VanDerWaalsContact O-CB 3.24Å; Q52-A56 WeakPolarHBondContact O-CB 3.43Å; Q52-A56 PolarHBondContact O-N 3.41Å; Q52-L71 HydrophobicContact CB-CD2 3.55Å
53I90.8Very high89Confident0 Ų060.2 Ų60.20%032%0.322CS..Hα-helixtrans-59.9-50.5175.6-66.6172.3000110.3C40 L43 L44 F48 P49 R50 E55 A56 V57 L71C40-I53 HydrophobicContact CB-CG2 4.1Å; L43-I53 HydrophobicContact CB-CD1 3.8Å; L43-I53 HydrophobicContact CB-CG1 3.83Å; L43-I53 HydrophobicContact CB-CG2 3.96Å; L43-I53 HydrophobicContact CD1-CG2 3.99Å; L44-I53 HydrophobicContact CB-CD1 4.31Å; L44-I53 HydrophobicContact CD2-CD1 3.57Å; L44-I53 HydrophobicContact CG-CD1 3.65Å; F48-I53 HydrophobicContact CB-CD1 3.8Å; F48-I53 HydrophobicContact CB-CG1 3.65Å; F48-I53 VanDerWaalsContact O-CD1 3.26Å; F48-I53 WeakPolarHBondContact O-CD1 3.31Å; P49-I53 WeakPolarHBondContact O-CG1 3.48Å; P49-I53 PolarHBondContact O-N 3.18Å; P49-I53 VanDerWaalsContact O-N 3.11Å; R50-I53 PolarHBondContact O-N 3.38Å; I53-E55 PolarHBondContact O-N 3.08Å; I53-A56 PolarHBondContact O-N 3.46Å; I53-V57 HydrophobicContact CG2-CG2 4.08Å; I53-V57 WeakPolarHBondContact O-CB 3.3Å; I53-V57 WeakPolarHBondContact O-CG2 3.38Å; I53-V57 PolarHBondContact O-N 3.02Å; I53-L71 HydrophobicContact CG1-CD1 4.22Å
54F88.9Confident89.2Confident28 Ų2863.8 Ų63.812%0.12334%0.338CS..Hα-helixtrans-61.2-47.4-177.8-67.5-11.6000111.1E17 T18 F21 C40 R50 P51 A56 V57 A58E17-F54 HydrophobicContact CB-CE2 4.41Å; T18-F54 HydrophobicContact CG2-CE1 4.48Å; F21-F54 HydrophobicContact CB-CD1 4.48Å; F21-F54 HydrophobicContact CB-CD2 4.03Å; F21-F54 HydrophobicContact CB-CE2 4.27Å; F21-F54 HydrophobicContact CB-CG 4.14Å; F21-F54 AromaticContact CD1-CD1 3.98Å; F21-F54 HydrophobicContact CD1-CD1 3.98Å; F21-F54 HydrophobicContact CD1-CE1 4.4Å; F21-F54 HydrophobicContact CD1-CG 4.27Å; F21-F54 HydrophobicContact CD2-CB 3.54Å; F21-F54 HydrophobicContact CD2-CD1 4.4Å; F21-F54 HydrophobicContact CD2-CD2 4.44Å; F21-F54 AromaticContact CD2-CG 3.9Å; F21-F54 HydrophobicContact CD2-CG 3.9Å; F21-F54 HydrophobicContact CE1-CD1 4.32Å; F21-F54 HydrophobicContact CE2-CB 3.71Å; F21-F54 HydrophobicContact CE2-CG 4.37Å; F21-F54 WeakPolarHBondContact CE2-O 3.47Å; F21-F54 HydrophobicContact CG-CB 4Å; F21-F54 HydrophobicContact CG-CD1 4.01Å; F21-F54 HydrophobicContact CG-CD2 4.22Å; F21-F54 AromaticContact CG-CG 3.82Å; F21-F54 HydrophobicContact CG-CG 3.82Å; F21-F54 HydrophobicContact CZ-CB 4.33Å; F21-F54 WeakPolarHBondContact CZ-O 3.06Å; C40-F54 HydrophobicContact CB-CE1 4.48Å; R50-F54 HydrophobicContact CB-CE2 4.28Å; R50-F54 HydrophobicContact CB-CZ 4.29Å; R50-F54 HydrophobicContact CG-CZ 4.44Å; R50-F54 VanDerWaalsContact O-CG 3.3Å; R50-F54 WeakPolarHBondContact O-CG 3.21Å; R50-F54 PolarHBondContact O-N 3.14Å; P51-F54 PolarHBondContact O-N 3.05Å; F54-A56 PolarHBondContact O-N 2.92Å; F54-V57 PolarHBondContact O-N 3.32Å; F54-A58 WeakPolarHBondContact O-CB 3.21Å; F54-A58 PolarHBondContact O-N 2.99Å
55E88.4Confident89.4Confident125 Ų12567.3 Ų67.358%0.58436%0.358SS*.Hα-helixtrans-57.7-49.4174.8-174.1-178176.700111.9P51 I53 V57 A58 V59P51-E55 WeakPolarHBondContact O-CB 3.21Å; P51-E55 PolarHBondContact O-N 3.08Å; P51-E55 VanDerWaalsContact O-N 3.09Å; I53-E55 PolarHBondContact O-N 3.08Å; E55-V57 PolarHBondContact O-N 3.21Å; E55-A58 PolarHBondContact O-N 2.93Å; E55-V59 WeakPolarHBondContact O-CG2 3.31Å; E55-V59 PolarHBondContact O-N 3.37Å
56A90.6Very high89.8Confident1 Ų167.1 Ų67.11%0.00835%0.353CS..Hα-helixtrans-62.9-44.6-178.800000112.4Q52 I53 F54 V59 E60 A67 R70 L71Q52-A56 VanDerWaalsContact O-CB 3.24Å; Q52-A56 WeakPolarHBondContact O-CB 3.43Å; Q52-A56 PolarHBondContact O-N 3.41Å; I53-A56 PolarHBondContact O-N 3.46Å; F54-A56 PolarHBondContact O-N 2.92Å; A56-V59 PolarHBondContact O-N 3.45Å; A56-E60 VanDerWaalsContact O-CB 3.29Å; A56-E60 WeakPolarHBondContact O-CB 3.43Å; A56-E60 VanDerWaalsContact O-CG 3.3Å; A56-E60 WeakPolarHBondContact O-CG 3.41Å; A56-E60 PolarHBondContact O-N 2.97Å; A56-A67 HydrophobicContact CB-CB 4.15Å; A56-R70 HydrophobicContact CB-CG 4.43Å; A56-L71 HydrophobicContact CB-CD1 4.41Å; A56-L71 HydrophobicContact CB-CD2 4.14Å; A56-L71 HydrophobicContact CB-CG 3.98Å
57V91.1Very high89.9Confident0 Ų061.9 Ų61.90%033%0.327CS..Hα-helixtrans-66.6-39.4179.3173.10000111.3F21 Y36 V39 L43 I53 F54 E55 K61 G62 A67F21-V57 HydrophobicContact CE1-CG1 4.18Å; F21-V57 HydrophobicContact CZ-CB 4.05Å; F21-V57 HydrophobicContact CZ-CG1 3.95Å; Y36-V57 HydrophobicContact CD1-CG1 3.72Å; Y36-V57 HydrophobicContact CE1-CG1 4.31Å; Y36-V57 HydrophobicContact CG-CG1 4.05Å; V39-V57 HydrophobicContact CB-CG2 4.39Å; V39-V57 HydrophobicContact CG1-CG2 3.68Å; L43-V57 HydrophobicContact CD1-CG2 3.76Å; I53-V57 HydrophobicContact CG2-CG2 4.08Å; I53-V57 WeakPolarHBondContact O-CB 3.3Å; I53-V57 WeakPolarHBondContact O-CG2 3.38Å; I53-V57 PolarHBondContact O-N 3.02Å; F54-V57 PolarHBondContact O-N 3.32Å; E55-V57 PolarHBondContact O-N 3.21Å; V57-K61 PolarHBondContact O-N 3.01Å; V57-K61 VanDerWaalsContact O-N 3.07Å; V57-G62 PolarHBondContact O-N 3.41Å; V57-A67 HydrophobicContact CG2-CB 4.16Å
58A88.3Confident90.2Very high39 Ų3960.4 Ų60.432%0.32230%0.303SS..Hα-helixtrans-64-48.3175.200000111.9F21 F54 E55 K61F21-A58 HydrophobicContact CE2-CB 3.75Å; F21-A58 HydrophobicContact CZ-CB 4.16Å; F54-A58 WeakPolarHBondContact O-CB 3.21Å; F54-A58 PolarHBondContact O-N 2.99Å; E55-A58 PolarHBondContact O-N 2.93Å; A58-K61 PolarHBondContact O-N 2.85Å
59V90.3Very high90.4Very high72 Ų7262.3 Ų62.344%0.43632%0.321SS..Hα-helixtrans-69.9-39.8-175.8-179.60000111.6E55 A56 K61 R70E55-V59 WeakPolarHBondContact O-CG2 3.31Å; E55-V59 PolarHBondContact O-N 3.37Å; A56-V59 PolarHBondContact O-N 3.45Å; V59-K61 PolarHBondContact O-N 3.33Å; V59-R70 VanDerWaalsContact CB-NH1 3.34Å; V59-R70 VanDerWaalsContact CG1-NH1 3.26Å
60E93.7Very high90.6Very high22 Ų2265.1 Ų65.110%0.10332%0.324CS..THydrogen-bonded Turntrans-85.610.1178.7-54.2-5715100112.7A56 G62 D63 R66 A67 R70A56-E60 VanDerWaalsContact O-CB 3.29Å; A56-E60 WeakPolarHBondContact O-CB 3.43Å; A56-E60 VanDerWaalsContact O-CG 3.3Å; A56-E60 WeakPolarHBondContact O-CG 3.41Å; A56-E60 PolarHBondContact O-N 2.97Å; E60-G62 VanDerWaalsContact C-N 3.31Å; E60-G62 PolarHBondContact O-N 3.15Å; E60-D63 VanDerWaalsContact O-CB 3.25Å; E60-D63 WeakPolarHBondContact O-CB 3.47Å; E60-D63 PolarHBondContact O-N 3.25Å; E60-R66 HydrophobicContact CB-CB 3.82Å; E60-R66 HydrophobicContact CG-CB 3.88Å; E60-R66 IonicContact OE2-CZ 3.66Å; E60-R66 IonicContact OE2-NE 3.79Å; E60-R66 PolarHBondContact OE2-NE 3.48Å; E60-R66 IonicContact OE2-NH2 2.84Å; E60-R66 PolarHBondContact OE2-NH2 2.91Å; E60-A67 HydrophobicContact CB-CB 4.3Å; E60-A67 HydrophobicContact CG-CB 4.5Å; E60-R70 IonicContact OE1-CZ 3.13Å; E60-R70 IonicContact OE1-NE 2.94Å; E60-R70 PolarHBondContact OE1-NE 3.38Å; E60-R70 IonicContact OE1-NH2 2.74Å; E60-R70 PolarHBondContact OE1-NH2 3.29Å
61K89.9Confident90.8Very high164 Ų16462.2 Ų62.271%0.71332%0.315SS*.THydrogen-bonded Turntrans55.138.9173.3-57.6-179179.7-179.70114.5Y36 V57 A58 V59 D63Y36-K61 VanDerWaalsContact CE2-C 3.41Å; Y36-K61 WeakPolarHBondContact CE2-O 3.33Å; Y36-K61 WeakPolarHBondContact OH-CA 3.34Å; Y36-K61 PolarHBondContact OH-O 3.44Å; V57-K61 PolarHBondContact O-N 3.01Å; V57-K61 VanDerWaalsContact O-N 3.07Å; A58-K61 PolarHBondContact O-N 2.85Å; V59-K61 PolarHBondContact O-N 3.33Å; K61-D63 VanDerWaalsContact C-N 3.29Å
62G86.6Confident91Very high8 Ų861.6 Ų61.68%0.08231%0.306CS..THydrogen-bonded Turntrans80.16.2-17900000114.6Y36 V39 V57 E60 Q64Y36-G62 VanDerWaalsContact CE2-CA 3.46Å; V39-G62 WeakPolarHBondContact CG2-O 3.49Å; V57-G62 PolarHBondContact O-N 3.41Å; E60-G62 VanDerWaalsContact C-N 3.31Å; E60-G62 PolarHBondContact O-N 3.15Å; G62-Q64 PolarHBondContact O-N 2.92Å
63D92.3Very high90.4Very high67 Ų6761.8 Ų61.836%0.35832%0.315SS..  trans-74.8113.9172-173.2-55.3000110.2E60 K61 N65 R66 A67E60-D63 VanDerWaalsContact O-CB 3.25Å; E60-D63 WeakPolarHBondContact O-CB 3.47Å; E60-D63 PolarHBondContact O-N 3.25Å; K61-D63 VanDerWaalsContact C-N 3.29Å; D63-N65 PolarHBondContact OD1-N 2.86Å; D63-R66 HydrophobicContact CB-CB 4.03Å; D63-R66 HydrophobicContact CB-CG 4.21Å; D63-R66 WeakPolarHBondContact OD1-CG 3.45Å; D63-R66 PolarHBondContact OD1-N 3.42Å; D63-A67 WeakPolarHBondContact O-CB 3.41Å; D63-A67 PolarHBondContact O-N 3.41Å
64Q91.8Very high89Confident76 Ų7669.7 Ų69.736%0.35536%0.358SS..Hα-helixtrans-63.5-43.9-177-177.7176.2-68.400113.1V39 N42 G62 L68V39-Q64 HydrophobicContact CG1-CB 3.93Å; V39-Q64 HydrophobicContact CG1-CG 4.18Å; V39-Q64 HydrophobicContact CG2-CB 3.96Å; N42-Q64 PolarHBondContact ND2-OE1 3.45Å; G62-Q64 PolarHBondContact O-N 2.92Å; Q64-L68 VanDerWaalsContact O-CB 3.24Å; Q64-L68 WeakPolarHBondContact O-CB 3.45Å; Q64-L68 PolarHBondContact O-N 3.39Å
65N93.3Very high87Confident113 Ų11377.3 Ų77.360%0.60442%0.415SS*.Hα-helixtrans-69.5-42.6-174.3-71.5-26000110.1D63 L68 S69D63-N65 PolarHBondContact OD1-N 2.86Å; N65-L68 PolarHBondContact O-N 3.47Å; N65-S69 WeakPolarHBondContact O-CB 3.31Å; N65-S69 PolarHBondContact O-N 3Å; N65-S69 PolarHBondContact O-OG 3.49Å; N65-S69 VanDerWaalsContact O-OG 3.05Å
66R93.3Very high86.9Confident142 Ų14275 Ų7554%0.53641%0.406SS..Hα-helixtrans-67.7-42.4176.8-65.8176.857.6167.60.7112.1E60 D63 L68 S69 R70E60-R66 HydrophobicContact CB-CB 3.82Å; E60-R66 HydrophobicContact CG-CB 3.88Å; E60-R66 IonicContact OE2-CZ 3.66Å; E60-R66 IonicContact OE2-NE 3.79Å; E60-R66 PolarHBondContact OE2-NE 3.48Å; E60-R66 IonicContact OE2-NH2 2.84Å; E60-R66 PolarHBondContact OE2-NH2 2.91Å; D63-R66 HydrophobicContact CB-CB 4.03Å; D63-R66 HydrophobicContact CB-CG 4.21Å; D63-R66 WeakPolarHBondContact OD1-CG 3.45Å; D63-R66 PolarHBondContact OD1-N 3.42Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-L68 PolarHBondContact O-N 3.45Å; R66-S69 PolarHBondContact O-N 3.5Å; R66-R70 PolarHBondContact O-N 3.15Å
67A92.9Very high86.7Confident0 Ų078.8 Ų78.80%043%0.427CS..Hα-helixtrans-61.2-41.7175.100000111.1L43 A56 V57 E60 D63 R70 L71L43-A67 HydrophobicContact CD1-CB 4.03Å; A56-A67 HydrophobicContact CB-CB 4.15Å; V57-A67 HydrophobicContact CG2-CB 4.16Å; E60-A67 HydrophobicContact CB-CB 4.3Å; E60-A67 HydrophobicContact CG-CB 4.5Å; D63-A67 WeakPolarHBondContact O-CB 3.41Å; D63-A67 PolarHBondContact O-N 3.41Å; A67-R70 PolarHBondContact O-N 3.05Å; A67-L71 VanDerWaalsContact O-CG 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.45Å; A67-L71 PolarHBondContact O-N 3.2Å; A67-L71 VanDerWaalsContact O-N 3.11Å
68L93.1Very high86.5Confident35 Ų3583.2 Ų83.218%0.18345%0.451CS..Hα-helixtrans-63.4-46.9174179.561.5000111.9L43 M46 F48 Q64 N65 R66 R70 L71 L72L43-L68 HydrophobicContact CD2-CB 4.19Å; L43-L68 HydrophobicContact CD2-CD1 4.1Å; M46-L68 HydrophobicContact CE-CD1 3.59Å; M46-L68 HydrophobicContact CE-CD2 4.05Å; M46-L68 HydrophobicContact CE-CG 4.5Å; M46-L68 HydrophobicContact SD-CD1 4.07Å; F48-L68 HydrophobicContact CE2-CD1 3.6Å; F48-L68 HydrophobicContact CZ-CD1 3.82Å; Q64-L68 VanDerWaalsContact O-CB 3.24Å; Q64-L68 WeakPolarHBondContact O-CB 3.45Å; Q64-L68 PolarHBondContact O-N 3.39Å; N65-L68 PolarHBondContact O-N 3.47Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-L68 PolarHBondContact O-N 3.45Å; L68-R70 PolarHBondContact O-N 3.24Å; L68-L71 PolarHBondContact O-N 2.93Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.1Å; L68-L72 HydrophobicContact CG-CD1 3.93Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 3.38Å
69S93Very high86.4Confident78 Ų7885.8 Ų85.855%0.54546%0.458SS..Hα-helixtrans-57.3-34.3176.9-66.50000112.6N65 R66N65-S69 WeakPolarHBondContact O-CB 3.31Å; N65-S69 PolarHBondContact O-N 3Å; N65-S69 PolarHBondContact O-OG 3.49Å; N65-S69 VanDerWaalsContact O-OG 3.05Å; R66-S69 PolarHBondContact O-N 3.5Å
70R91.8Very high86.1Confident119 Ų11986.7 Ų86.745%0.44946%0.46SS..Hα-helixtrans-73-34.4175.4179.4179.8-75.2-134.7-4.8113.2A56 V59 E60 R66 A67 L68 L72A56-R70 HydrophobicContact CB-CG 4.43Å; V59-R70 VanDerWaalsContact CB-NH1 3.34Å; V59-R70 VanDerWaalsContact CG1-NH1 3.26Å; E60-R70 IonicContact OE1-CZ 3.13Å; E60-R70 IonicContact OE1-NE 2.94Å; E60-R70 PolarHBondContact OE1-NE 3.38Å; E60-R70 IonicContact OE1-NH2 2.74Å; E60-R70 PolarHBondContact OE1-NH2 3.29Å; R66-R70 PolarHBondContact O-N 3.15Å; A67-R70 PolarHBondContact O-N 3.05Å; L68-R70 PolarHBondContact O-N 3.24Å; R70-L72 VanDerWaalsContact C-N 3.35Å
71L90.8Very high85.6Confident21 Ų2191 Ų9111%0.1148%0.484CS..Hα-helixtrans-75.9-26.3179.1-72.3171.5000112.8L43 F48 Q52 I53 A56 A67 L68L43-L71 HydrophobicContact CB-CD1 4.4Å; L43-L71 HydrophobicContact CD1-CD1 3.8Å; L43-L71 HydrophobicContact CD2-CD1 3.97Å; L43-L71 HydrophobicContact CG-CD1 4.27Å; F48-L71 HydrophobicContact CB-CD1 4.18Å; F48-L71 HydrophobicContact CD1-CB 3.89Å; F48-L71 HydrophobicContact CD1-CD1 4.26Å; F48-L71 HydrophobicContact CD1-CD2 4.43Å; F48-L71 HydrophobicContact CD1-CG 4.43Å; F48-L71 HydrophobicContact CD2-CD1 3.95Å; F48-L71 HydrophobicContact CE1-CB 3.74Å; F48-L71 HydrophobicContact CE2-CB 4.5Å; F48-L71 HydrophobicContact CE2-CD1 4.39Å; F48-L71 HydrophobicContact CG-CB 4.35Å; F48-L71 HydrophobicContact CG-CD1 3.88Å; F48-L71 HydrophobicContact CZ-CB 4.06Å; Q52-L71 HydrophobicContact CB-CD2 3.55Å; I53-L71 HydrophobicContact CG1-CD1 4.22Å; A56-L71 HydrophobicContact CB-CD1 4.41Å; A56-L71 HydrophobicContact CB-CD2 4.14Å; A56-L71 HydrophobicContact CB-CG 3.98Å; A67-L71 VanDerWaalsContact O-CG 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.45Å; A67-L71 PolarHBondContact O-N 3.2Å; A67-L71 VanDerWaalsContact O-N 3.11Å; L68-L71 PolarHBondContact O-N 2.93Å
72L89.8Confident85.3Confident84 Ų8485.8 Ų85.844%0.4447%0.467SS..SBendtrans-78.9134.4175.5-66.7171.7000109.4F48 L68 R70 N74F48-L72 HydrophobicContact CE1-CD2 4.46Å; F48-L72 HydrophobicContact CZ-CD2 3.96Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.1Å; L68-L72 HydrophobicContact CG-CD1 3.93Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 3.38Å; R70-L72 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 3.34Å
73P77.2Confident85.2Confident103 Ų10391.8 Ų91.867%0.66950%0.497SS*.  trans-60.8130171.924.4-30.7000109S75P73-S75 PolarHBondContact O-N 3.24Å; P73-S75 PolarHBondContact O-OG 2.73Å
74N62Low84.6Confident166 Ų16693.8 Ų93.889%0.88851%0.508SS*.  trans-53.3107.8169.6-72.7-22.2000107.7L72L72-N74 PolarHBondContact O-N 3.34Å
75S46.6Very low84Confident189 Ų18995.5 Ų95.5100%1.32252%0.522SS*.  trans-78.10174.8-53.80000110.2P73P73-S75 PolarHBondContact O-N 3.24Å; P73-S75 PolarHBondContact O-OG 2.73Å

Retrieved 75 of 75 residues in 20.3 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).