A0A077Z849_TRITR Loading...

Mediator of RNA polymerase II transcription subun it 4

AlphaFold DB , UniProt , Accession A0A077Z849, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low47Very low243 Ų243158.1 Ų158.1100%1.19781%0.809SS**  0128.90-84167.6147.800107.6T3M1-T3 PolarHBondContact O-N 2.78Å
2K41.8Very low48.1Very low210 Ų210149.6 Ų149.691%0.91377%0.77SS**  trans-59.5122.7177.3-75.8174.5172.8176.90107.9A4K2-A4 PolarHBondContact O-N 2.79Å; K2-A4 VanDerWaalsContact O-N 3.1Å
3T43.8Very low49.5Very low127 Ų127148.2 Ų148.278%0.77977%0.765SS**  trans-55.1117.316533.80000106.4M1 C5M1-T3 PolarHBondContact O-N 2.78Å; T3-C5 VanDerWaalsContact C-N 3.28Å; T3-C5 PolarHBondContact O-N 2.83Å
4A47.7Very low51.7Low92 Ų92143.4 Ų143.476%0.7674%0.742SS**  trans-59.5103.7165.900000104.9K2 M6K2-A4 PolarHBondContact O-N 2.79Å; K2-A4 VanDerWaalsContact O-N 3.1Å; A4-M6 VanDerWaalsContact C-N 3.28Å; A4-M6 PolarHBondContact O-N 2.82Å
5C44.9Very low53.8Low112 Ų112138.1 Ų138.176%0.75771%0.714SS**  trans-54.7106163.7-75.30000104.6T3 E7T3-C5 VanDerWaalsContact C-N 3.28Å; T3-C5 PolarHBondContact O-N 2.83Å; C5-E7 PolarHBondContact O-N 3.3Å
6M46.1Very low55.9Low178 Ų178137 Ų13788%0.87771%0.709SS**  trans-53111.4165.3-77.3-173.5161.300105A4 I8A4-M6 VanDerWaalsContact C-N 3.28Å; A4-M6 PolarHBondContact O-N 2.82Å; M6-I8 PolarHBondContact O-N 3.2Å
7E43.4Very low57.8Low183 Ų183130.7 Ų130.786%0.85568%0.679SS**  trans-56.6109.5175.2-70.3-170145.400106C5 P9C5-E7 PolarHBondContact O-N 3.3Å; E7-P9 VanDerWaalsContact O-CD 3.26Å; E7-P9 WeakPolarHBondContact O-CD 3.25Å
8I49.8Very low59.5Low142 Ų142123.8 Ų123.873%0.72864%0.644SS**  trans-58.6116.2173.1-58.7168.5000104.6M6 K10M6-I8 PolarHBondContact O-N 3.2Å; I8-K10 PolarHBondContact O-N 3.36Å
9P52.6Low61.1Low78 Ų78124.2 Ų124.251%0.50664%0.64SS.*  trans-53.4132.2-174.714.6-25.8000109.2E7 R11E7-P9 VanDerWaalsContact O-CD 3.26Å; E7-P9 WeakPolarHBondContact O-CD 3.25Å; P9-R11 PolarHBondContact O-N 2.95Å
10K54Low62.6Low200 Ų200121.7 Ų121.787%0.8763%0.631SS**  trans-46.1109.5-179.8-85.4177.5176.5172.20108.8I8 T12I8-K10 PolarHBondContact O-N 3.36Å; K10-T12 PolarHBondContact O-N 3.13Å
11R54.4Low64Low174 Ų174117.8 Ų117.866%0.65761%0.61SS**  trans-56.5107.5178.3-73.6-173.1-177.8-175.3-1.7109.1P9P9-R11 PolarHBondContact O-N 2.95Å
12T60.3Low66.6Low56 Ų56107.5 Ų107.534%0.34456%0.559SS.*  trans-84.7124.1173.418.90000108.9K10 D14 S17 Q21K10-T12 PolarHBondContact O-N 3.13Å; T12-D14 PolarHBondContact O-N 3.28Å; T12-S17 VanDerWaalsContact CB-OG 3.29Å; T12-S17 WeakPolarHBondContact CB-OG 3.42Å; T12-S17 WeakPolarHBondContact OG1-CB 3.27Å; T12-S17 PolarHBondContact OG1-OG 2.9Å; T12-Q21 PolarHBondContact OG1-NE2 3.27Å
13N65.7Low69.1Low131 Ų131101.1 Ų101.170%0.70154%0.535SS*.  trans-80.415175.7-66.4-32.1000112.8L79N13-L79 HydrophobicContact CB-CD2 4.47Å; N13-L79 VanDerWaalsContact O-CD2 3.31Å; N13-L79 WeakPolarHBondContact O-CD2 3.33Å
14D81.1Confident71.6Confident82 Ų8298.9 Ų98.944%0.43952%0.518SS..  trans-95131.1-179.8176.169.6000110.2T12 L16 S17 V18T12-D14 PolarHBondContact O-N 3.28Å; D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 3.17Å; D14-L16 WeakPolarHBondContact OD2-CA 3.35Å; D14-L16 VanDerWaalsContact OD2-CB 3.26Å; D14-L16 WeakPolarHBondContact OD2-CB 3.12Å; D14-L16 PolarHBondContact OD2-N 3.15Å; D14-S17 WeakPolarHBondContact O-CB 3.44Å; D14-S17 PolarHBondContact O-N 3.44Å; D14-S17 VanDerWaalsContact O-N 3.11Å; D14-S17 PolarHBondContact OD2-N 2.88Å; D14-V18 PolarHBondContact O-N 3.14Å
15I82.9Confident73.8Confident64 Ų6494.7 Ų94.733%0.32848%0.483SS..Hα-helixtrans-60.9-38.9-175.8-68.7172.5000111.3S17 V18 K19 L79 F80I15-S17 VanDerWaalsContact C-N 3.33Å; I15-V18 PolarHBondContact O-N 2.93Å; I15-K19 WeakPolarHBondContact O-CB 3.43Å; I15-K19 PolarHBondContact O-N 3.42Å; I15-L79 HydrophobicContact CD1-CB 4.35Å; I15-L79 HydrophobicContact CG1-CB 3.82Å; I15-L79 HydrophobicContact CG1-CD1 3.97Å; I15-L79 HydrophobicContact CG1-CG 4.46Å; I15-F80 HydrophobicContact CD1-CD1 4.34Å; I15-F80 HydrophobicContact CD1-CE1 4.18Å; I15-F80 HydrophobicContact CD1-CZ 4.38Å; I15-F80 HydrophobicContact CG2-CE1 4.05Å; I15-F80 HydrophobicContact CG2-CE2 3.79Å; I15-F80 HydrophobicContact CG2-CZ 3.35Å
16L86.6Confident76.2Confident120 Ų12093 Ų9363%0.62847%0.466SS*.Hα-helixtrans-67.5-40178.3-61172000110D14 K19 T20D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 3.17Å; D14-L16 WeakPolarHBondContact OD2-CA 3.35Å; D14-L16 VanDerWaalsContact OD2-CB 3.26Å; D14-L16 WeakPolarHBondContact OD2-CB 3.12Å; D14-L16 PolarHBondContact OD2-N 3.15Å; L16-K19 PolarHBondContact O-N 3.26Å; L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 2.79Å; L16-T20 VanDerWaalsContact O-OG1 3.08Å
17S88.6Confident78.6Confident30 Ų3089.3 Ų89.321%0.2145%0.45CS..Hα-helixtrans-63.1-43.9175.5-163.60000112.8T12 D14 I15 K19 T20 Q21T12-S17 VanDerWaalsContact CB-OG 3.29Å; T12-S17 WeakPolarHBondContact CB-OG 3.42Å; T12-S17 WeakPolarHBondContact OG1-CB 3.27Å; T12-S17 PolarHBondContact OG1-OG 2.9Å; D14-S17 WeakPolarHBondContact O-CB 3.44Å; D14-S17 PolarHBondContact O-N 3.44Å; D14-S17 VanDerWaalsContact O-N 3.11Å; D14-S17 PolarHBondContact OD2-N 2.88Å; I15-S17 VanDerWaalsContact C-N 3.33Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.32Å; S17-T20 PolarHBondContact O-N 3.47Å; S17-Q21 WeakPolarHBondContact O-CG 3.48Å; S17-Q21 PolarHBondContact O-N 2.98Å; S17-Q21 PolarHBondContact OG-NE2 2.97Å
18V88.1Confident81Confident6 Ų683.6 Ų83.64%0.03643%0.425CS..Hα-helixtrans-62.6-42.1174.8173.70000110.9D14 I15 T20 Q21 I22 I75 L79D14-V18 PolarHBondContact O-N 3.14Å; I15-V18 PolarHBondContact O-N 2.93Å; V18-T20 PolarHBondContact O-N 2.94Å; V18-Q21 PolarHBondContact O-N 3.14Å; V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 HydrophobicContact CG1-CG1 4.4Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.32Å; V18-I22 PolarHBondContact O-N 3.37Å; V18-I75 HydrophobicContact CG2-CG2 3.9Å; V18-L79 HydrophobicContact CB-CD1 4.39Å; V18-L79 HydrophobicContact CG2-CD1 3.69Å
19K89.8Confident83.2Confident131 Ų13177.9 Ų77.957%0.5740%0.396SS*.Hα-helixtrans-60.2-44.2175.6-178.3-178.5176.4-177.40111.9I15 L16 S17 I22 N23I15-K19 WeakPolarHBondContact O-CB 3.43Å; I15-K19 PolarHBondContact O-N 3.42Å; L16-K19 PolarHBondContact O-N 3.26Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.32Å; K19-I22 PolarHBondContact O-N 3.4Å; K19-N23 PolarHBondContact O-N 2.91Å; K19-N23 VanDerWaalsContact O-N 3.08Å; K19-N23 PolarHBondContact O-ND2 3.39Å
20T92.4Very high85.3Confident75 Ų7577.6 Ų77.646%0.4639%0.39SS..Hα-helixtrans-61.5-47.9176.2-61.30000110.9L16 S17 V18 I22 N23 D24L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 2.79Å; L16-T20 VanDerWaalsContact O-OG1 3.08Å; S17-T20 PolarHBondContact O-N 3.47Å; V18-T20 PolarHBondContact O-N 2.94Å; T20-I22 VanDerWaalsContact C-N 3.33Å; T20-I22 PolarHBondContact O-N 3.02Å; T20-N23 WeakPolarHBondContact O-CB 3.43Å; T20-N23 PolarHBondContact O-N 3.27Å; T20-N23 VanDerWaalsContact O-N 3.1Å; T20-D24 VanDerWaalsContact O-CG 3.28Å; T20-D24 PolarHBondContact O-N 2.89Å
21Q91.9Very high87.1Confident40 Ų4073 Ų7319%0.18738%0.375CS..Hα-helixtrans-60.7-40.6177.9-71.5171.141.200112.4T12 S17 V18 N23 D24 V25 L72T12-Q21 PolarHBondContact OG1-NE2 3.27Å; S17-Q21 WeakPolarHBondContact O-CG 3.48Å; S17-Q21 PolarHBondContact O-N 2.98Å; S17-Q21 PolarHBondContact OG-NE2 2.97Å; V18-Q21 PolarHBondContact O-N 3.14Å; Q21-N23 VanDerWaalsContact C-N 3.33Å; Q21-N23 PolarHBondContact O-N 3.4Å; Q21-D24 PolarHBondContact O-N 2.79Å; Q21-V25 WeakPolarHBondContact O-CG2 3.31Å; Q21-V25 PolarHBondContact O-N 3.43Å; Q21-L72 HydrophobicContact CB-CD1 3.75Å; Q21-L72 HydrophobicContact CB-CD2 3.87Å; Q21-L72 HydrophobicContact CB-CG 4.48Å; Q21-L72 VanDerWaalsContact OE1-CD2 3.23Å
22I92.8Very high88.9Confident26 Ų2665.3 Ų65.313%0.13335%0.346CS..Hα-helixtrans-59.3-46174.5-74.5170.7000110.7V18 K19 T20 D24 V25 I26 L69 L72 W73V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 HydrophobicContact CG1-CG1 4.4Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.32Å; V18-I22 PolarHBondContact O-N 3.37Å; K19-I22 PolarHBondContact O-N 3.4Å; T20-I22 VanDerWaalsContact C-N 3.33Å; T20-I22 PolarHBondContact O-N 3.02Å; I22-D24 VanDerWaalsContact C-N 3.35Å; I22-V25 PolarHBondContact O-N 3.24Å; I22-I26 HydrophobicContact CG2-CD1 3.73Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.26Å; I22-I26 PolarHBondContact O-N 2.93Å; I22-L69 HydrophobicContact CB-CD1 4.38Å; I22-L69 HydrophobicContact CG1-CD1 4.3Å; I22-L69 HydrophobicContact CG2-CD1 3.88Å; I22-L72 HydrophobicContact CD1-CB 4.36Å; I22-L72 HydrophobicContact CG1-CB 3.71Å; I22-L72 HydrophobicContact CG1-CD1 4.27Å; I22-W73 HydrophobicContact CD1-CE3 4.48Å
23N94.4Very high90.5Very high76 Ų7665.4 Ų65.441%0.40635%0.348SS..Hα-helixtrans-64.2-40.3178.1-71.4-29.7000111.9K19 T20 Q21 I26 N27K19-N23 PolarHBondContact O-N 2.91Å; K19-N23 VanDerWaalsContact O-N 3.08Å; K19-N23 PolarHBondContact O-ND2 3.39Å; T20-N23 WeakPolarHBondContact O-CB 3.43Å; T20-N23 PolarHBondContact O-N 3.27Å; T20-N23 VanDerWaalsContact O-N 3.1Å; Q21-N23 VanDerWaalsContact C-N 3.33Å; Q21-N23 PolarHBondContact O-N 3.4Å; N23-I26 PolarHBondContact O-N 3.46Å; N23-N27 PolarHBondContact O-N 2.87Å; N23-N27 PolarHBondContact O-ND2 2.7Å; N23-N27 VanDerWaalsContact O-ND2 3.15Å
24D95.1Very high91.7Very high81 Ų8166.2 Ų66.243%0.43334%0.342SS..Hα-helixtrans-62.1-45.5177.4-65.6-22.9000110.9T20 Q21 I22 I26 N27 D28T20-D24 VanDerWaalsContact O-CG 3.28Å; T20-D24 PolarHBondContact O-N 2.89Å; Q21-D24 PolarHBondContact O-N 2.79Å; I22-D24 VanDerWaalsContact C-N 3.35Å; D24-I26 PolarHBondContact O-N 3.31Å; D24-N27 WeakPolarHBondContact O-CB 3.43Å; D24-N27 PolarHBondContact O-N 2.99Å; D24-D28 PolarHBondContact O-N 3.16Å
25V94.8Very high92Very high3 Ų365 Ų652%0.01834%0.337CS..Hα-helixtrans-65.6-37.6176.7176.50000112Q21 I22 N27 D28 L29 K65 E68 L69 L72Q21-V25 WeakPolarHBondContact O-CG2 3.31Å; Q21-V25 PolarHBondContact O-N 3.43Å; I22-V25 PolarHBondContact O-N 3.24Å; V25-N27 VanDerWaalsContact C-N 3.35Å; V25-D28 PolarHBondContact O-N 2.83Å; V25-L29 HydrophobicContact CG1-CD1 4.19Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.28Å; V25-K65 HydrophobicContact CG1-CB 4.31Å; V25-K65 HydrophobicContact CG1-CD 4.26Å; V25-K65 WeakPolarHBondContact CG1-O 3.41Å; V25-E68 HydrophobicContact CG2-CB 4.49Å; V25-E68 HydrophobicContact CG2-CG 3.91Å; V25-L69 HydrophobicContact CG1-CB 3.76Å; V25-L69 HydrophobicContact CG1-CD1 4.42Å; V25-L72 HydrophobicContact CG2-CD1 3.79Å
26I95.6Very high92.2Very high78 Ų7865.4 Ų65.440%0.434%0.338SS..Hα-helixtrans-63-42.5174-71.8167.2000110.8I22 N23 D24 D28 L29 D30 L69I22-I26 HydrophobicContact CG2-CD1 3.73Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.26Å; I22-I26 PolarHBondContact O-N 2.93Å; N23-I26 PolarHBondContact O-N 3.46Å; D24-I26 PolarHBondContact O-N 3.31Å; I26-D28 VanDerWaalsContact C-N 3.35Å; I26-L29 PolarHBondContact O-N 3.1Å; I26-D30 PolarHBondContact O-N 2.87Å; I26-L69 HydrophobicContact CG1-CD1 4.22Å; I26-L69 HydrophobicContact CG1-CD2 4.31Å
27N96Very high92.3Very high100 Ų10062.2 Ų62.254%0.53533%0.33SS..Hα-helixtrans-63.6-41.4176.8-69.6-31.2000111.5N23 D24 V25 D30 L31N23-N27 PolarHBondContact O-N 2.87Å; N23-N27 PolarHBondContact O-ND2 2.7Å; N23-N27 VanDerWaalsContact O-ND2 3.15Å; D24-N27 WeakPolarHBondContact O-CB 3.43Å; D24-N27 PolarHBondContact O-N 2.99Å; V25-N27 VanDerWaalsContact C-N 3.35Å; N27-D30 PolarHBondContact O-N 2.87Å; N27-L31 WeakPolarHBondContact O-CB 3.36Å; N27-L31 PolarHBondContact O-N 3.48Å
28D94.8Very high92.1Very high62 Ų6266.1 Ų66.133%0.33235%0.345SS..Hα-helixtrans-60-46.5173.8-74.8-16.4000111.2D24 V25 I26 L31 I32 K65D24-D28 PolarHBondContact O-N 3.16Å; V25-D28 PolarHBondContact O-N 2.83Å; I26-D28 VanDerWaalsContact C-N 3.35Å; D28-L31 PolarHBondContact O-N 3.45Å; D28-I32 WeakPolarHBondContact O-CD1 3.27Å; D28-I32 WeakPolarHBondContact O-CG1 3.41Å; D28-I32 PolarHBondContact O-N 2.94Å; D28-K65 HydrophobicContact CB-CD 3.92Å; D28-K65 HydrophobicContact CB-CG 4.39Å; D28-K65 WeakPolarHBondContact OD2-CE 3.44Å; D28-K65 IonicContact OD2-NZ 2.94Å; D28-K65 PolarHBondContact OD2-NZ 2.65Å
29L95.3Very high91.9Very high22 Ų2267.5 Ų67.512%0.11535%0.35CS..Hα-helixtrans-62.3-42.2177.6-73.5168.7000112.3V25 I26 I32 C33 F62 K65 L69V25-L29 HydrophobicContact CG1-CD1 4.19Å; V25-L29 WeakPolarHBondContact O-CG 3.49Å; V25-L29 PolarHBondContact O-N 3.28Å; I26-L29 PolarHBondContact O-N 3.1Å; L29-I32 PolarHBondContact O-N 2.94Å; L29-C33 WeakPolarHBondContact O-CB 3.49Å; L29-C33 PolarHBondContact O-N 2.93Å; L29-C33 PolarHBondContact O-SG 3.33Å; L29-C33 VanDerWaalsContact O-SG 3.35Å; L29-F62 HydrophobicContact CD2-CD2 3.59Å; L29-F62 HydrophobicContact CD2-CE2 3.62Å; L29-F62 HydrophobicContact CD2-CG 4.13Å; L29-F62 HydrophobicContact CD2-CZ 4.18Å; L29-K65 HydrophobicContact CD2-CB 3.6Å; L29-K65 HydrophobicContact CG-CB 3.95Å; L29-L69 HydrophobicContact CD1-CD2 3.92Å
30D95.4Very high91.6Very high73 Ų7366 Ų6639%0.3935%0.352SS..Hα-helixtrans-61.7-44.7175.4-176.258000111.1I26 N27 I32 C33 R34I26-D30 PolarHBondContact O-N 2.87Å; N27-D30 PolarHBondContact O-N 2.87Å; D30-I32 PolarHBondContact O-N 3.14Å; D30-C33 WeakPolarHBondContact O-CB 3.48Å; D30-C33 PolarHBondContact O-N 3.38Å; D30-R34 WeakPolarHBondContact O-CG 3.46Å; D30-R34 PolarHBondContact O-N 2.86Å; D30-R34 IonicContact OD1-NE 3.71Å; D30-R34 IonicContact OD2-CZ 3.06Å; D30-R34 IonicContact OD2-NE 2.83Å; D30-R34 PolarHBondContact OD2-NE 2.94Å; D30-R34 IonicContact OD2-NH2 2.7Å; D30-R34 PolarHBondContact OD2-NH2 3.47Å
31L93.5Very high91.2Very high104 Ų10467.8 Ų67.855%0.54536%0.362SS..Hα-helixtrans-60.9-45.6176.9-177.861000111.7N27 D28 C33 R34 V35N27-L31 WeakPolarHBondContact O-CB 3.36Å; N27-L31 PolarHBondContact O-N 3.48Å; D28-L31 PolarHBondContact O-N 3.45Å; L31-C33 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 3.45Å; L31-R34 PolarHBondContact O-N 3.47Å; L31-V35 HydrophobicContact CD1-CG2 4.44Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 3.39Å
32I92.2Very high90.7Very high11 Ų1168.9 Ų68.96%0.05637%0.369CS..Hα-helixtrans-59.7-46.3177.4-66.8160000110.5D28 L29 D30 R34 V35 M36 L58 L61 F62 K65D28-I32 WeakPolarHBondContact O-CD1 3.27Å; D28-I32 WeakPolarHBondContact O-CG1 3.41Å; D28-I32 PolarHBondContact O-N 2.94Å; L29-I32 PolarHBondContact O-N 2.94Å; D30-I32 PolarHBondContact O-N 3.14Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-R34 PolarHBondContact O-N 3.23Å; I32-V35 PolarHBondContact O-N 3.3Å; I32-M36 HydrophobicContact CG2-SD 4.15Å; I32-M36 WeakPolarHBondContact O-CB 3.21Å; I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.96Å; I32-L58 HydrophobicContact CG2-CB 4.41Å; I32-L58 HydrophobicContact CG2-CD2 4.31Å; I32-L61 HydrophobicContact CD1-CB 4.33Å; I32-L61 HydrophobicContact CD1-CD2 3.75Å; I32-L61 HydrophobicContact CD1-CG 3.66Å; I32-L61 HydrophobicContact CG1-CD2 3.98Å; I32-L61 HydrophobicContact CG1-CG 4.4Å; I32-F62 HydrophobicContact CG2-CB 4.01Å; I32-F62 HydrophobicContact CG2-CD2 4.06Å; I32-K65 HydrophobicContact CD1-CG 4.18Å
33C92.3Very high90.2Very high58 Ų5870.5 Ų70.539%0.39238%0.381SS..Hα-helixtrans-59.2-42.7176.4-76.80000112.4L29 D30 L31 M36 A37L29-C33 WeakPolarHBondContact O-CB 3.49Å; L29-C33 PolarHBondContact O-N 2.93Å; L29-C33 PolarHBondContact O-SG 3.33Å; L29-C33 VanDerWaalsContact O-SG 3.35Å; D30-C33 WeakPolarHBondContact O-CB 3.48Å; D30-C33 PolarHBondContact O-N 3.38Å; L31-C33 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 3.45Å; C33-M36 PolarHBondContact O-N 3.39Å; C33-A37 WeakPolarHBondContact O-CB 3.5Å; C33-A37 PolarHBondContact O-N 2.94Å
34R91.5Very high89.3Confident149 Ų14974.5 Ų74.556%0.56240%0.395SS*.Hα-helixtrans-62.4-47176.6-71.6177.1-167.9-158.36.5111.9D30 L31 I32 M36 A37 E38D30-R34 WeakPolarHBondContact O-CG 3.46Å; D30-R34 PolarHBondContact O-N 2.86Å; D30-R34 IonicContact OD1-NE 3.71Å; D30-R34 IonicContact OD2-CZ 3.06Å; D30-R34 IonicContact OD2-NE 2.83Å; D30-R34 PolarHBondContact OD2-NE 2.94Å; D30-R34 IonicContact OD2-NH2 2.7Å; D30-R34 PolarHBondContact OD2-NH2 3.47Å; L31-R34 PolarHBondContact O-N 3.47Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-R34 PolarHBondContact O-N 3.23Å; R34-M36 VanDerWaalsContact C-N 3.3Å; R34-M36 PolarHBondContact O-N 2.9Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-A37 VanDerWaalsContact O-N 3.16Å; R34-E38 WeakPolarHBondContact O-CG 3.45Å; R34-E38 PolarHBondContact O-N 3.35Å
35V88.6Confident88.3Confident56 Ų5678.2 Ų78.234%0.33941%0.409SS..Hα-helixtrans-62.7-39.6178.1176.70000111L31 I32 F39 L58L31-V35 HydrophobicContact CD1-CG2 4.44Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 3.39Å; I32-V35 PolarHBondContact O-N 3.3Å; V35-F39 WeakPolarHBondContact O-CB 3.41Å; V35-F39 PolarHBondContact O-N 2.92Å; V35-L58 HydrophobicContact CB-CD1 4.4Å; V35-L58 HydrophobicContact CG1-CD1 3.63Å; V35-L58 HydrophobicContact CG1-CD2 4.3Å
36M87.4Confident87.3Confident72 Ų7283.9 Ų83.936%0.35544%0.435SS..Hα-helixtrans-63.7-43173.7-7818038.300112.3I32 C33 R34 F39 V40 L58I32-M36 HydrophobicContact CG2-SD 4.15Å; I32-M36 WeakPolarHBondContact O-CB 3.21Å; I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.96Å; C33-M36 PolarHBondContact O-N 3.39Å; R34-M36 VanDerWaalsContact C-N 3.3Å; R34-M36 PolarHBondContact O-N 2.9Å; M36-F39 PolarHBondContact O-N 2.92Å; M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.38Å; M36-V40 PolarHBondContact O-N 3.48Å; M36-L58 HydrophobicContact CG-CB 4.26Å; M36-L58 HydrophobicContact CG-CD1 4.24Å
37A87.8Confident85.9Confident54 Ų5484.9 Ų84.945%0.44643%0.434SS..Hα-helixtrans-63.4-45177.800000111.7C33 R34 F39 V40 T41C33-A37 WeakPolarHBondContact O-CB 3.5Å; C33-A37 PolarHBondContact O-N 2.94Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-A37 VanDerWaalsContact O-N 3.16Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.9Å; A37-V40 PolarHBondContact O-N 3.39Å; A37-T41 WeakPolarHBondContact O-CB 3.46Å; A37-T41 WeakPolarHBondContact O-CG2 3.35Å; A37-T41 PolarHBondContact O-N 3.3Å; A37-T41 PolarHBondContact O-OG1 3.37Å
38E85.3Confident84.5Confident112 Ų11289.9 Ų89.952%0.52345%0.446SS..Hα-helixtrans-55.9-47.4171.9-74178.4-166.300110.8R34 V40 T41 M42R34-E38 WeakPolarHBondContact O-CG 3.45Å; R34-E38 PolarHBondContact O-N 3.35Å; E38-V40 PolarHBondContact O-N 2.99Å; E38-T41 WeakPolarHBondContact CA-OG1 3.26Å; E38-T41 PolarHBondContact O-N 3.3Å; E38-T41 PolarHBondContact O-OG1 2.98Å; E38-M42 HydrophobicContact CB-CE 4.43Å; E38-M42 VanDerWaalsContact O-CG 3.27Å; E38-M42 WeakPolarHBondContact O-CG 3.43Å; E38-M42 PolarHBondContact O-N 3.15Å
39F82.8Confident82.8Confident34 Ų3496.1 Ų96.115%0.14947%0.47CS..Hα-helixtrans-61.8-42.9179.3179.2-104.4000113.5V35 M36 A37 T41 M42 R47 T51 T55V35-F39 WeakPolarHBondContact O-CB 3.41Å; V35-F39 PolarHBondContact O-N 2.92Å; M36-F39 PolarHBondContact O-N 2.92Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.9Å; F39-T41 VanDerWaalsContact C-N 3.3Å; F39-T41 PolarHBondContact O-N 2.94Å; F39-M42 HydrophobicContact CD2-SD 4.47Å; F39-M42 PolarHBondContact O-N 3.34Å; F39-R47 HydrophobicContact CE2-CB 4.29Å; F39-R47 HydrophobicContact CE2-CG 3.88Å; F39-R47 HydrophobicContact CZ-CG 4.23Å; F39-T51 HydrophobicContact CD2-CG2 4.3Å; F39-T51 HydrophobicContact CE2-CG2 4Å; F39-T51 WeakPolarHBondContact CE2-OG1 3.31Å; F39-T55 HydrophobicContact CD1-CG2 3.11Å; F39-T55 HydrophobicContact CE1-CG2 3.18Å; F39-T55 HydrophobicContact CG-CG2 3.86Å; F39-T55 HydrophobicContact CZ-CG2 4.01Å
40V83.2Confident81.1Confident100 Ų10097.1 Ų97.161%0.60649%0.486SS*.Hα-helixtrans-67.3-34.6179.5171.60000111.3M36 A37 E38 R47M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.38Å; M36-V40 PolarHBondContact O-N 3.48Å; A37-V40 PolarHBondContact O-N 3.39Å; E38-V40 PolarHBondContact O-N 2.99Å; V40-R47 PolarHBondContact O-NH2 3.23Å; V40-R47 VanDerWaalsContact O-NH2 3.14Å
41T84.5Confident79.5Confident112 Ų11295 Ų9569%0.68748%0.475SS*.Hα-helixtrans-82.8-14.1179.354.40000113.8A37 E38 F39A37-T41 WeakPolarHBondContact O-CB 3.46Å; A37-T41 WeakPolarHBondContact O-CG2 3.35Å; A37-T41 PolarHBondContact O-N 3.3Å; A37-T41 PolarHBondContact O-OG1 3.37Å; E38-T41 WeakPolarHBondContact CA-OG1 3.26Å; E38-T41 PolarHBondContact O-N 3.3Å; E38-T41 PolarHBondContact O-OG1 2.98Å; F39-T41 VanDerWaalsContact C-N 3.3Å; F39-T41 PolarHBondContact O-N 2.94Å
42M81.5Confident77.9Confident64 Ų6497 Ų9732%0.31548%0.483SS..SBendtrans-61.9137.4176.2-82.6173.1-168.700112.1E38 F39 R47E38-M42 HydrophobicContact CB-CE 4.43Å; E38-M42 VanDerWaalsContact O-CG 3.27Å; E38-M42 WeakPolarHBondContact O-CG 3.43Å; E38-M42 PolarHBondContact O-N 3.15Å; F39-M42 HydrophobicContact CD2-SD 4.47Å; F39-M42 PolarHBondContact O-N 3.34Å; M42-R47 HydrophobicContact CB-CG 4.37Å; M42-R47 PolarHBondContact O-NE 3.32Å; M42-R47 PolarHBondContact O-NH2 2.94Å
43P81.3Confident76.4Confident60 Ų60103 Ų10339%0.3952%0.515SS..  trans-55.8145.2171.5-2332.3000111.8E45 Q46 R47P43-E45 VanDerWaalsContact CB-OE2 3.25Å; P43-E45 WeakPolarHBondContact CB-OE2 3.45Å; P43-E45 PolarHBondContact O-N 3.35Å; P43-E45 VanDerWaalsContact O-N 3.13Å; P43-Q46 HydrophobicContact CB-CG 4.5Å; P43-Q46 PolarHBondContact O-N 2.86Å; P43-R47 PolarHBondContact O-N 3.45Å
44K75.7Confident75.5Confident160 Ų160106.8 Ų106.870%0.69653%0.525SS*.THydrogen-bonded Turntrans-57.3-32.4-176.3-73-178.2178.1177.70112.2Q46 R47K44-Q46 PolarHBondContact O-N 2.79Å; K44-R47 PolarHBondContact O-N 3.29Å
45E74.9Confident74.9Confident158 Ų158101.8 Ų101.874%0.73851%0.511SS*.THydrogen-bonded Turntrans-66.6-26.9179.7-56.470.7-150.800112.1P43P43-E45 VanDerWaalsContact CB-OE2 3.25Å; P43-E45 WeakPolarHBondContact CB-OE2 3.45Å; P43-E45 PolarHBondContact O-N 3.35Å; P43-E45 VanDerWaalsContact O-N 3.13Å
46Q73.1Confident74.7Confident122 Ų122100.8 Ų100.857%0.5751%0.512SS*.THydrogen-bonded Turntrans-90-18.1177.1-63.2-176.48.100112.7P43 K44 R48P43-Q46 HydrophobicContact CB-CG 4.5Å; P43-Q46 PolarHBondContact O-N 2.86Å; K44-Q46 PolarHBondContact O-N 2.79Å; Q46-R48 PolarHBondContact O-N 2.89Å
47R68Low74.7Confident100 Ų100102.1 Ų102.138%0.37752%0.524SS..  trans-74.367.6174.8-59-178.4-151.5179.1-1.7110.4F39 V40 M42 P43 K44F39-R47 HydrophobicContact CE2-CB 4.29Å; F39-R47 HydrophobicContact CE2-CG 3.88Å; F39-R47 HydrophobicContact CZ-CG 4.23Å; V40-R47 PolarHBondContact O-NH2 3.23Å; V40-R47 VanDerWaalsContact O-NH2 3.14Å; M42-R47 HydrophobicContact CB-CG 4.37Å; M42-R47 PolarHBondContact O-NE 3.32Å; M42-R47 PolarHBondContact O-NH2 2.94Å; P43-R47 PolarHBondContact O-N 3.45Å; K44-R47 PolarHBondContact O-N 3.29Å
48R66Low74.8Confident205 Ų205101 Ų10177%0.77451%0.51SS*.  trans-60.7141.2170.6-66.9-175.7175.3-173.4-1.1108.9Q46 G50 T51Q46-R48 PolarHBondContact O-N 2.89Å; R48-G50 PolarHBondContact O-N 3.28Å; R48-T51 PolarHBondContact O-N 2.95Å; R48-T51 PolarHBondContact O-OG1 2.95Å
49F58.2Low74.9Confident193 Ų19397.8 Ų97.885%0.84650%0.503SS*.THydrogen-bonded Turntrans-36.2-35.3-178.7-88.1-90.9000116.3T51 M52F49-T51 PolarHBondContact O-N 3.41Å; F49-T51 VanDerWaalsContact O-N 3.17Å; F49-M52 PolarHBondContact O-N 3.08Å
50G59.4Low75.4Confident43 Ų43101.7 Ų101.744%0.44353%0.526SS..Hα-helixtrans-61.2-17.217500000115.5R48 K54R48-G50 PolarHBondContact O-N 3.28Å; G50-K54 WeakPolarHBondContact O-CG 3.16Å
51T62.9Low75.8Confident27 Ų27100.6 Ų100.617%0.16652%0.516CS..Hα-helixtrans-81.4-29.1177.157.10000113.6F39 R48 F49 K54 T55F39-T51 HydrophobicContact CD2-CG2 4.3Å; F39-T51 HydrophobicContact CE2-CG2 4Å; F39-T51 WeakPolarHBondContact CE2-OG1 3.31Å; R48-T51 PolarHBondContact O-N 2.95Å; R48-T51 PolarHBondContact O-OG1 2.95Å; F49-T51 PolarHBondContact O-N 3.41Å; F49-T51 VanDerWaalsContact O-N 3.17Å; T51-K54 WeakPolarHBondContact O-CB 3.39Å; T51-K54 PolarHBondContact O-N 3.37Å; T51-K54 VanDerWaalsContact O-N 3.14Å; T51-T55 PolarHBondContact O-N 3.46Å; T51-T55 VanDerWaalsContact O-N 3.15Å
52M60.3Low76.2Confident146 Ų14698.8 Ų98.872%0.71950%0.499SS*.Hα-helixtrans-71.2-35.1176.6-170.3176.6179.900111.7F49 K54 T55F49-M52 PolarHBondContact O-N 3.08Å; M52-K54 PolarHBondContact O-N 2.91Å; M52-T55 PolarHBondContact O-N 3.32Å; M52-T55 PolarHBondContact O-OG1 2.95Å
53L59.8Low76.9Confident137 Ų137100.4 Ų100.472%0.71751%0.512SS*.Hα-helixtrans-62.4-33.5169-73.2168.2000111.5V57L53-V57 WeakPolarHBondContact O-CG2 3.33Å
54K74.2Confident77.5Confident139 Ų139101 Ų10160%0.60452%0.517SS*.Hα-helixtrans-69.3-31.8176.5-69.3174.6-177.7-171.80112.7G50 T51 M52 V57 L58G50-K54 WeakPolarHBondContact O-CG 3.16Å; T51-K54 WeakPolarHBondContact O-CB 3.39Å; T51-K54 PolarHBondContact O-N 3.37Å; T51-K54 VanDerWaalsContact O-N 3.14Å; M52-K54 PolarHBondContact O-N 2.91Å; K54-V57 PolarHBondContact O-N 3.08Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.37Å; K54-L58 PolarHBondContact O-N 3.1Å
55T78.3Confident78.4Confident43 Ų4395.1 Ų95.126%0.26449%0.492SS..Hα-helixtrans-69.5-37.9-18051.30000113.5F39 T51 M52 L58 A59F39-T55 HydrophobicContact CD1-CG2 3.11Å; F39-T55 HydrophobicContact CE1-CG2 3.18Å; F39-T55 HydrophobicContact CG-CG2 3.86Å; F39-T55 HydrophobicContact CZ-CG2 4.01Å; T51-T55 PolarHBondContact O-N 3.46Å; T51-T55 VanDerWaalsContact O-N 3.15Å; M52-T55 PolarHBondContact O-N 3.32Å; M52-T55 PolarHBondContact O-OG1 2.95Å; T55-L58 PolarHBondContact O-N 3.23Å; T55-A59 WeakPolarHBondContact O-CB 3.48Å; T55-A59 PolarHBondContact O-N 2.95Å
56G84.9Confident79.2Confident36 Ų3689.5 Ų89.537%0.37147%0.472SS..Hα-helixtrans-60.8-47.7175.300000111.1L58 A59 D60G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 2.89Å; G56-A59 WeakPolarHBondContact O-CB 3.37Å; G56-A59 PolarHBondContact O-N 3.43Å; G56-A59 VanDerWaalsContact O-N 3.14Å; G56-D60 PolarHBondContact O-N 3.33Å
57V87.6Confident80.2Confident99 Ų9986 Ų8660%0.647%0.465SS*.Hα-helixtrans-60.8-40.2176.6177.60000112.1L53 K54 L61L53-V57 WeakPolarHBondContact O-CG2 3.33Å; K54-V57 PolarHBondContact O-N 3.08Å; V57-L61 VanDerWaalsContact O-CB 3.27Å; V57-L61 WeakPolarHBondContact O-CB 3.3Å; V57-L61 PolarHBondContact O-N 3.5Å
58L88.4Confident81.4Confident30 Ų3083.9 Ų83.916%0.15746%0.459CS..Hα-helixtrans-65.9-38.7175.7-73.1169.1000112.3I32 V35 M36 K54 T55 G56 L61 F62I32-L58 HydrophobicContact CG2-CB 4.41Å; I32-L58 HydrophobicContact CG2-CD2 4.31Å; V35-L58 HydrophobicContact CB-CD1 4.4Å; V35-L58 HydrophobicContact CG1-CD1 3.63Å; V35-L58 HydrophobicContact CG1-CD2 4.3Å; M36-L58 HydrophobicContact CG-CB 4.26Å; M36-L58 HydrophobicContact CG-CD1 4.24Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.37Å; K54-L58 PolarHBondContact O-N 3.1Å; T55-L58 PolarHBondContact O-N 3.23Å; G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 3.34Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.22Å
59A88.7Confident82.7Confident45 Ų4576.2 Ų76.237%0.37243%0.433SS..Hα-helixtrans-65.9-45.2176.400000111.5T55 G56 L61 F62 V63T55-A59 WeakPolarHBondContact O-CB 3.48Å; T55-A59 PolarHBondContact O-N 2.95Å; G56-A59 WeakPolarHBondContact O-CB 3.37Å; G56-A59 PolarHBondContact O-N 3.43Å; G56-A59 VanDerWaalsContact O-N 3.14Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 3.01Å; A59-F62 WeakPolarHBondContact O-CB 3.25Å; A59-F62 PolarHBondContact O-N 3.37Å; A59-V63 WeakPolarHBondContact O-CG2 3.29Å; A59-V63 PolarHBondContact O-N 2.93Å
60D92.1Very high84.3Confident117 Ų11772 Ų7263%0.62642%0.416SS*.Hα-helixtrans-61.9-41.6175.9-67.8-25.4000111.2G56 V63 S64G56-D60 PolarHBondContact O-N 3.33Å; D60-V63 PolarHBondContact O-N 2.93Å; D60-S64 WeakPolarHBondContact O-CB 3.37Å; D60-S64 PolarHBondContact O-N 2.99Å
61L92.1Very high85.8Confident77 Ų7773.7 Ų73.740%0.40342%0.415SS..Hα-helixtrans-64.1-41.7175.7-174.464.5000111.8I32 V57 L58 A59 S64 K65I32-L61 HydrophobicContact CD1-CB 4.33Å; I32-L61 HydrophobicContact CD1-CD2 3.75Å; I32-L61 HydrophobicContact CD1-CG 3.66Å; I32-L61 HydrophobicContact CG1-CD2 3.98Å; I32-L61 HydrophobicContact CG1-CG 4.4Å; V57-L61 VanDerWaalsContact O-CB 3.27Å; V57-L61 WeakPolarHBondContact O-CB 3.3Å; V57-L61 PolarHBondContact O-N 3.5Å; L58-L61 PolarHBondContact O-N 3.34Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 3.01Å; L61-S64 PolarHBondContact O-N 3.45Å; L61-K65 HydrophobicContact CD1-CG 4.38Å; L61-K65 HydrophobicContact CG-CG 4.47Å; L61-K65 WeakPolarHBondContact O-CB 3.31Å; L61-K65 VanDerWaalsContact O-CG 3.31Å; L61-K65 WeakPolarHBondContact O-CG 3.26Å; L61-K65 PolarHBondContact O-N 3.02Å
62F93.6Very high87.1Confident74 Ų7472.9 Ų72.933%0.32541%0.41SS..Hα-helixtrans-59.2-48.1175.6-174.9-89.1000111.3L29 I32 L58 A59 S64 K65 A66L29-F62 HydrophobicContact CD2-CD2 3.59Å; L29-F62 HydrophobicContact CD2-CE2 3.62Å; L29-F62 HydrophobicContact CD2-CG 4.13Å; L29-F62 HydrophobicContact CD2-CZ 4.18Å; I32-F62 HydrophobicContact CG2-CB 4.01Å; I32-F62 HydrophobicContact CG2-CD2 4.06Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.22Å; A59-F62 WeakPolarHBondContact O-CB 3.25Å; A59-F62 PolarHBondContact O-N 3.37Å; F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3Å; F62-K65 PolarHBondContact O-N 3.29Å; F62-A66 WeakPolarHBondContact O-CB 3.19Å; F62-A66 PolarHBondContact O-N 2.87Å
63V94.6Very high88.4Confident98 Ų9872.7 Ų72.759%0.59440%0.401SS*.Hα-helixtrans-62-44.1178.11730000110.8A59 D60 K65 A66 A67A59-V63 WeakPolarHBondContact O-CG2 3.29Å; A59-V63 PolarHBondContact O-N 2.93Å; D60-V63 PolarHBondContact O-N 2.93Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 2.9Å; V63-A66 PolarHBondContact O-N 3.42Å; V63-A67 PolarHBondContact O-N 3.44Å
64S95.2Very high89.7Confident72 Ų7272.5 Ų72.550%0.50339%0.391SS..Hα-helixtrans-60.5-43176.8-1730000112.1D60 L61 F62 A67 E68D60-S64 WeakPolarHBondContact O-CB 3.37Å; D60-S64 PolarHBondContact O-N 2.99Å; L61-S64 PolarHBondContact O-N 3.45Å; F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3Å; S64-A67 PolarHBondContact O-N 2.96Å; S64-E68 PolarHBondContact O-N 3.31Å
65K93.4Very high90.3Very high36 Ų3667.6 Ų67.616%0.15737%0.371CS..Hα-helixtrans-70.9-36.2179.2-73.3-74.4166.8-176.50112.4V25 D28 L29 I32 L61 F62 V63 E68 L69V25-K65 HydrophobicContact CG1-CB 4.31Å; V25-K65 HydrophobicContact CG1-CD 4.26Å; V25-K65 WeakPolarHBondContact CG1-O 3.41Å; D28-K65 HydrophobicContact CB-CD 3.92Å; D28-K65 HydrophobicContact CB-CG 4.39Å; D28-K65 WeakPolarHBondContact OD2-CE 3.44Å; D28-K65 IonicContact OD2-NZ 2.94Å; D28-K65 PolarHBondContact OD2-NZ 2.65Å; L29-K65 HydrophobicContact CD2-CB 3.6Å; L29-K65 HydrophobicContact CG-CB 3.95Å; I32-K65 HydrophobicContact CD1-CG 4.18Å; L61-K65 HydrophobicContact CD1-CG 4.38Å; L61-K65 HydrophobicContact CG-CG 4.47Å; L61-K65 WeakPolarHBondContact O-CB 3.31Å; L61-K65 VanDerWaalsContact O-CG 3.31Å; L61-K65 WeakPolarHBondContact O-CG 3.26Å; L61-K65 PolarHBondContact O-N 3.02Å; F62-K65 PolarHBondContact O-N 3.29Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 2.9Å; K65-E68 WeakPolarHBondContact CD-OE2 3.37Å; K65-E68 IonicContact NZ-OE2 2.79Å; K65-E68 PolarHBondContact NZ-OE2 3.47Å; K65-E68 PolarHBondContact O-N 3.03Å; K65-L69 PolarHBondContact O-N 3.29Å
66A93.4Very high90.7Very high40 Ų4065.9 Ų65.933%0.33136%0.362SS..Hα-helixtrans-64.3-40.4173.800000111.9F62 V63 L69 E70F62-A66 WeakPolarHBondContact O-CB 3.19Å; F62-A66 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 3.36Å; A66-E70 PolarHBondContact O-N 2.93Å
67A93.6Very high90.6Very high50 Ų5066.4 Ų66.441%0.41335%0.354SS..Hα-helixtrans-64.8-42.8173.900000111.9V63 S64 L69 E70 D71V63-A67 PolarHBondContact O-N 3.44Å; S64-A67 PolarHBondContact O-N 2.96Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 3.49Å; A67-E70 PolarHBondContact O-N 3.11Å; A67-D71 PolarHBondContact O-N 2.9Å
68E92.7Very high90.4Very high55 Ų5566.9 Ų66.926%0.25736%0.357SS..Hα-helixtrans-58.7-43.3174.4-171.5178.3-173.500111.4V25 S64 K65 E70 D71 L72V25-E68 HydrophobicContact CG2-CB 4.49Å; V25-E68 HydrophobicContact CG2-CG 3.91Å; S64-E68 PolarHBondContact O-N 3.31Å; K65-E68 WeakPolarHBondContact CD-OE2 3.37Å; K65-E68 IonicContact NZ-OE2 2.79Å; K65-E68 PolarHBondContact NZ-OE2 3.47Å; K65-E68 PolarHBondContact O-N 3.03Å; E68-E70 PolarHBondContact O-N 3.35Å; E68-D71 PolarHBondContact O-N 3.42Å; E68-L72 HydrophobicContact CG-CD1 4.31Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.31Å; E68-L72 PolarHBondContact O-N 2.89Å
69L93.1Very high89.9Confident43 Ų4368 Ų6823%0.22536%0.363CS..Hα-helixtrans-62.1-43.1175.9-175.359.6000112.2I22 V25 I26 L29 K65 A66 A67 D71 L72 W73I22-L69 HydrophobicContact CB-CD1 4.38Å; I22-L69 HydrophobicContact CG1-CD1 4.3Å; I22-L69 HydrophobicContact CG2-CD1 3.88Å; V25-L69 HydrophobicContact CG1-CB 3.76Å; V25-L69 HydrophobicContact CG1-CD1 4.42Å; I26-L69 HydrophobicContact CG1-CD1 4.22Å; I26-L69 HydrophobicContact CG1-CD2 4.31Å; L29-L69 HydrophobicContact CD1-CD2 3.92Å; K65-L69 PolarHBondContact O-N 3.29Å; A66-L69 PolarHBondContact O-N 3.36Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 3.49Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 2.92Å; L69-W73 VanDerWaalsContact O-CB 3.31Å; L69-W73 WeakPolarHBondContact O-CB 3.35Å; L69-W73 PolarHBondContact O-N 2.69Å
70E92.3Very high89.1Confident104 Ų10471.5 Ų71.549%0.48637%0.37SS..Hα-helixtrans-62.4-42.7177.5-169-175.1166.200111.4A66 A67 E68 W73 R74A66-E70 PolarHBondContact O-N 2.93Å; A67-E70 PolarHBondContact O-N 3.11Å; E68-E70 PolarHBondContact O-N 3.35Å; E70-W73 WeakPolarHBondContact O-CB 3.47Å; E70-W73 PolarHBondContact O-N 3.21Å; E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 3.42Å; E70-R74 IonicContact OE1-CZ 3.35Å; E70-R74 IonicContact OE1-NE 3.27Å; E70-R74 PolarHBondContact OE1-NE 3.27Å; E70-R74 IonicContact OE1-NH2 2.69Å; E70-R74 PolarHBondContact OE1-NH2 3.22Å
71D91.1Very high88Confident80 Ų8076.8 Ų76.843%0.42838%0.381SS..Hα-helixtrans-63.8-45.7176.8-82.8-15.8000111.9A67 E68 L69 W73 R74 I75A67-D71 PolarHBondContact O-N 2.9Å; E68-D71 PolarHBondContact O-N 3.42Å; L69-D71 VanDerWaalsContact C-N 3.34Å; D71-W73 VanDerWaalsContact C-N 3.29Å; D71-W73 PolarHBondContact O-N 2.91Å; D71-R74 WeakPolarHBondContact O-CB 3.45Å; D71-R74 PolarHBondContact O-N 3.31Å; D71-I75 WeakPolarHBondContact O-CG1 3.43Å; D71-I75 PolarHBondContact O-N 3.4Å
72L89.2Confident86.2Confident10 Ų1077.2 Ų77.25%0.05238%0.383CS..Hα-helixtrans-61.5-39.2174.7-71.2171.3000111.9Q21 I22 V25 E68 L69 I75 G76Q21-L72 HydrophobicContact CB-CD1 3.75Å; Q21-L72 HydrophobicContact CB-CD2 3.87Å; Q21-L72 HydrophobicContact CB-CG 4.48Å; Q21-L72 VanDerWaalsContact OE1-CD2 3.23Å; I22-L72 HydrophobicContact CD1-CB 4.36Å; I22-L72 HydrophobicContact CG1-CB 3.71Å; I22-L72 HydrophobicContact CG1-CD1 4.27Å; V25-L72 HydrophobicContact CG2-CD1 3.79Å; E68-L72 HydrophobicContact CG-CD1 4.31Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.31Å; E68-L72 PolarHBondContact O-N 2.89Å; L69-L72 PolarHBondContact O-N 2.92Å; L72-I75 PolarHBondContact O-N 2.82Å; L72-G76 PolarHBondContact O-N 3.38Å
73W87.8Confident83.8Confident142 Ų14279.5 Ų79.554%0.53841%0.405SS..Hα-helixtrans-63.3-42.3175.2-174.2-107.4000111.9I22 L69 E70 D71 G76 K77I22-W73 HydrophobicContact CD1-CE3 4.48Å; L69-W73 VanDerWaalsContact O-CB 3.31Å; L69-W73 WeakPolarHBondContact O-CB 3.35Å; L69-W73 PolarHBondContact O-N 2.69Å; E70-W73 WeakPolarHBondContact O-CB 3.47Å; E70-W73 PolarHBondContact O-N 3.21Å; D71-W73 VanDerWaalsContact C-N 3.29Å; D71-W73 PolarHBondContact O-N 2.91Å; W73-G76 PolarHBondContact O-N 3.39Å; W73-K77 WeakPolarHBondContact O-CG 3.31Å; W73-K77 PolarHBondContact O-N 2.94Å
74R88Confident81.7Confident132 Ų13279.8 Ų79.850%0.49840%0.403SS..Hα-helixtrans-60.1-46.3174.2-71.7169.8-178.9-152.82.2111.1E70 D71 K77 T78E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 3.42Å; E70-R74 IonicContact OE1-CZ 3.35Å; E70-R74 IonicContact OE1-NE 3.27Å; E70-R74 PolarHBondContact OE1-NE 3.27Å; E70-R74 IonicContact OE1-NH2 2.69Å; E70-R74 PolarHBondContact OE1-NH2 3.22Å; D71-R74 WeakPolarHBondContact O-CB 3.45Å; D71-R74 PolarHBondContact O-N 3.31Å; R74-K77 PolarHBondContact O-N 3.33Å; R74-T78 PolarHBondContact O-N 2.98Å; R74-T78 VanDerWaalsContact O-N 3.08Å; R74-T78 PolarHBondContact O-OG1 3.4Å
75I87Confident79.2Confident36 Ų3682.7 Ų82.719%0.18542%0.417CS..Hα-helixtrans-61.7-48.4177-65.6165.9000110.7V18 D71 L72 K77 T78 L79V18-I75 HydrophobicContact CG2-CG2 3.9Å; D71-I75 WeakPolarHBondContact O-CG1 3.43Å; D71-I75 PolarHBondContact O-N 3.4Å; L72-I75 PolarHBondContact O-N 2.82Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 3.17Å; I75-T78 WeakPolarHBondContact O-CB 3.49Å; I75-T78 PolarHBondContact O-N 2.94Å; I75-T78 VanDerWaalsContact O-N 3.1Å; I75-L79 HydrophobicContact CG2-CD1 4.2Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 WeakPolarHBondContact O-CG 3.31Å; I75-L79 PolarHBondContact O-N 3.1Å
76G85.6Confident77.1Confident8 Ų888.1 Ų88.18%0.08244%0.441CS..Hα-helixtrans-54.9-48.6177.500000111.6L72 W73 T78 L79 F80L72-G76 PolarHBondContact O-N 3.38Å; W73-G76 PolarHBondContact O-N 3.39Å; G76-T78 VanDerWaalsContact C-N 3.32Å; G76-T78 PolarHBondContact O-N 3.39Å; G76-L79 WeakPolarHBondContact O-CB 3.18Å; G76-L79 PolarHBondContact O-N 3.02Å; G76-L79 VanDerWaalsContact O-N 3.11Å; G76-F80 WeakPolarHBondContact O-CD2 3.44Å; G76-F80 PolarHBondContact O-N 3.11Å
77K82.5Confident74.9Confident46 Ų4691.8 Ų91.820%0.246%0.462CS..Hα-helixtrans-56.8-43.6175.7-75.2-173.2-64177.80112.8W73 R74 I75 L79 F80 R81W73-K77 WeakPolarHBondContact O-CG 3.31Å; W73-K77 PolarHBondContact O-N 2.94Å; R74-K77 PolarHBondContact O-N 3.33Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 3.17Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-F80 PolarHBondContact O-N 3.35Å; K77-R81 PolarHBondContact O-N 3.08Å
78T83.4Confident72.6Confident110 Ų11098.5 Ų98.568%0.67549%0.485SS*.Hα-helixtrans-61.9-42.3176.2-58.90000111.6R74 I75 G76 F80 R81R74-T78 PolarHBondContact O-N 2.98Å; R74-T78 VanDerWaalsContact O-N 3.08Å; R74-T78 PolarHBondContact O-OG1 3.4Å; I75-T78 WeakPolarHBondContact O-CB 3.49Å; I75-T78 PolarHBondContact O-N 2.94Å; I75-T78 VanDerWaalsContact O-N 3.1Å; G76-T78 VanDerWaalsContact C-N 3.32Å; G76-T78 PolarHBondContact O-N 3.39Å; T78-F80 PolarHBondContact O-N 3.23Å; T78-R81 PolarHBondContact O-N 3.02Å
79L78.3Confident70.3Confident53 Ų53109.1 Ų109.128%0.27753%0.53SS..Hα-helixtrans-63.9-39.6178.6-68.6176.8000112.5N13 I15 V18 I75 G76 K77 R81N13-L79 HydrophobicContact CB-CD2 4.47Å; N13-L79 VanDerWaalsContact O-CD2 3.31Å; N13-L79 WeakPolarHBondContact O-CD2 3.33Å; I15-L79 HydrophobicContact CD1-CB 4.35Å; I15-L79 HydrophobicContact CG1-CB 3.82Å; I15-L79 HydrophobicContact CG1-CD1 3.97Å; I15-L79 HydrophobicContact CG1-CG 4.46Å; V18-L79 HydrophobicContact CB-CD1 4.39Å; V18-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CD1 4.2Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 WeakPolarHBondContact O-CG 3.31Å; I75-L79 PolarHBondContact O-N 3.1Å; G76-L79 WeakPolarHBondContact O-CB 3.18Å; G76-L79 PolarHBondContact O-N 3.02Å; G76-L79 VanDerWaalsContact O-N 3.11Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 3.49Å
80F72.2Confident69.1Low119 Ų119112.5 Ų112.552%0.52255%0.545SS..THydrogen-bonded Turntrans-78.6-4.1177.7-72.5-79.8000114I15 G76 K77 T78 I82I15-F80 HydrophobicContact CD1-CD1 4.34Å; I15-F80 HydrophobicContact CD1-CE1 4.18Å; I15-F80 HydrophobicContact CD1-CZ 4.38Å; I15-F80 HydrophobicContact CG2-CE1 4.05Å; I15-F80 HydrophobicContact CG2-CE2 3.79Å; I15-F80 HydrophobicContact CG2-CZ 3.35Å; G76-F80 WeakPolarHBondContact O-CD2 3.44Å; G76-F80 PolarHBondContact O-N 3.11Å; K77-F80 PolarHBondContact O-N 3.35Å; T78-F80 PolarHBondContact O-N 3.23Å; F80-I82 HydrophobicContact CB-CD1 3.61Å; F80-I82 HydrophobicContact CB-CG1 3.44Å; F80-I82 VanDerWaalsContact CB-CG1 3.44Å; F80-I82 HydrophobicContact CG-CD1 4.2Å; F80-I82 WeakPolarHBondContact O-CG1 3.24Å; F80-I82 PolarHBondContact O-N 3.19Å
81R68.4Low67.9Low228 Ų228112.9 Ų112.986%0.8655%0.549SS*.THydrogen-bonded Turntrans4534.1-172.9-68.5-173.5174.6-178.4-1.1113.1K77 T78 L79 P83K77-R81 PolarHBondContact O-N 3.08Å; T78-R81 PolarHBondContact O-N 3.02Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 3.49Å; R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.46Å
82I55.9Low66.6Low85 Ų85114.7 Ų114.744%0.43656%0.555SS.*  trans-85.7116.6-179.3-45.1175.8000107.7F80 L84F80-I82 HydrophobicContact CB-CD1 3.61Å; F80-I82 HydrophobicContact CB-CG1 3.44Å; F80-I82 VanDerWaalsContact CB-CG1 3.44Å; F80-I82 HydrophobicContact CG-CD1 4.2Å; F80-I82 WeakPolarHBondContact O-CG1 3.24Å; F80-I82 PolarHBondContact O-N 3.19Å; I82-L84 HydrophobicContact CB-CD1 4.27Å; I82-L84 HydrophobicContact CB-CG 4.2Å; I82-L84 HydrophobicContact CG2-CD1 3.93Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CG 3.58Å; I82-L84 PolarHBondContact O-N 3Å
83P43.2Very low65.3Low122 Ų122120.9 Ų120.979%0.79259%0.585SS**  trans-71.296168.328.7-29.8000107.7R81R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.46Å
84L49.4Very low63.9Low104 Ų104119.6 Ų119.655%0.54559%0.588SS.*  trans-105.5102.8174.9-76169.2000110.5I82 F86I82-L84 HydrophobicContact CB-CD1 4.27Å; I82-L84 HydrophobicContact CB-CG 4.2Å; I82-L84 HydrophobicContact CG2-CD1 3.93Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CG 3.58Å; I82-L84 PolarHBondContact O-N 3Å; L84-F86 PolarHBondContact O-N 3.38Å
85V43.1Very low62.3Low133 Ų133118.7 Ų118.781%0.80659%0.594SS**  trans-54.5118.4159.6177.60000107.9
86F49.9Very low60.6Low150 Ų150124.6 Ų124.666%0.65862%0.623SS**  trans-69.2129.4164.3-78.9-94000107.5L84 E88L84-F86 PolarHBondContact O-N 3.38Å; F86-E88 PolarHBondContact O-N 3.02Å
87P45.8Very low58.6Low118 Ų118133.6 Ų133.677%0.76666%0.664SS**  trans-66.3106158.626.3-27.4000106.1K89P87-K89 PolarHBondContact O-N 3.2Å
88E45Very low56.6Low190 Ų190140.9 Ų140.989%0.88870%0.703SS**  trans-52.1122.6160.2-73.2-176135.700106.7F86F86-E88 PolarHBondContact O-N 3.02Å
89K45.1Very low54.2Low279 Ų279143.7 Ų143.7100%1.21371%0.706SS**  trans-77.30163.7-83.2-172.2176.51790108.9P87P87-K89 PolarHBondContact O-N 3.2Å

Retrieved 89 of 89 residues in 39.1 ms (Link to these results)