SMI19_PONAB Loading...

Small integral membrane protein 19

AlphaFold DB , UniProt , Accession Q5RBD8, Species PONAB (Pongo abelii, Sumatran orangutan), Gene SMIM19, Length 107 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
1M45.2Very low50.6Low252 Ų252131.2 Ų131.2100%1.24182%0.816SS**  0102.50-72-171.9-177.500107.6
2A47Very low51.2Low114 Ų114126.3 Ų126.394%0.94281%0.81SS**  trans-138.886.5174.700000107
3G50.9Low51.9Low83 Ų83124.2 Ų124.286%0.85680%0.802SS**  trans-142.5121.7173.800000106.8
4G44.1Very low52.8Low77 Ų77123.6 Ų123.679%0.79479%0.787SS**  trans114.675.5171.800000114.5
5Y51.6Low53.9Low203 Ų203122.7 Ų122.780%0.79677%0.773SS**  -156.5106.4117.555.8-80.7000106.5V7Y5-V7 HydrophobicContact CD2-CG2 4.13Å; Y5-V7 HydrophobicContact CE2-CG2 4.06Å; Y5-V7 PolarHBondContact O-N 3.21Å
6G52.3Low54.9Low68 Ų68124.5 Ų124.570%0.70176%0.762SS**  trans-56.2113.5163.600000106.5M8G6-M8 PolarHBondContact O-N 3.35Å
7V56.6Low56.2Low114 Ų114122.8 Ų122.869%0.69175%0.752SS**  trans-60.981.6162.2172.60000105.6Y5 G9Y5-V7 HydrophobicContact CD2-CG2 4.13Å; Y5-V7 HydrophobicContact CE2-CG2 4.06Å; Y5-V7 PolarHBondContact O-N 3.21Å; V7-G9 PolarHBondContact O-N 3.15Å
8M51.6Low57.3Low199 Ų199121.6 Ų121.698%0.9874%0.744SS**  trans-79.660.8166.6-73.7176.3162.200107.4G6G6-M8 PolarHBondContact O-N 3.35Å
9G49.3Very low58.2Low40 Ų40121.9 Ų121.941%0.41274%0.736SS.*  trans-152.740.4-179.200000109.6V7 D11V7-G9 PolarHBondContact O-N 3.15Å; G9-D11 PolarHBondContact O-N 3.35Å; G9-D11 VanDerWaalsContact O-OD1 3.08Å
10D55.2Low59.2Low154 Ų154121.5 Ų121.582%0.82473%0.726SS**  trans-82.980.8154.6-170.739.8000106.5G12D10-G12 PolarHBondContact O-N 2.86Å
11D52.4Low60.3Low139 Ų139118.4 Ų118.474%0.74371%0.713SS**  trans-73.6109.1174.748-17.8000110.1G9G9-D11 PolarHBondContact O-N 3.35Å; G9-D11 VanDerWaalsContact O-OD1 3.08Å
12G58.7Low62.4Low72 Ų72115.3 Ų115.374%0.74269%0.688SS**SBend92.623.6126.500000118.2D10D10-G12 PolarHBondContact O-N 2.86Å
13S60.4Low64.2Low100 Ų100113.6 Ų113.670%0.69966%0.663SS**  trans-121.161.6158.264.20000110.9D15S13-D15 PolarHBondContact O-N 3.33Å
14I64Low65.7Low115 Ų115115.8 Ų115.859%0.5965%0.651SS**  trans-52.3117163-65.7164.5000105.9Y16I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 HydrophobicContact CB-CE2 4.18Å; I14-Y16 WeakPolarHBondContact O-CD2 3.07Å; I14-Y16 WeakPolarHBondContact O-CE2 3.38Å; I14-Y16 PolarHBondContact O-N 3.07Å
15D69Low67.8Low110 Ų110114.5 Ų114.559%0.58863%0.633SS**  trans-66.593.7-176.7-174.26.8000109.5S13 T17S13-D15 PolarHBondContact O-N 3.33Å; D15-T17 PolarHBondContact O-N 3.38Å; D15-T17 WeakPolarHBondContact OD1-CB 3.34Å; D15-T17 PolarHBondContact OD1-N 2.7Å; D15-T17 PolarHBondContact OD1-OG1 3.48Å
16Y70.7Confident69.5Low152 Ų152107.3 Ų107.360%0.59661%0.61SS**THydrogen-bonded Turntrans-69.7-5.6-179.7-71.3-78.9000112.7I14 V18 H19 E20I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 HydrophobicContact CB-CE2 4.18Å; I14-Y16 WeakPolarHBondContact O-CD2 3.07Å; I14-Y16 WeakPolarHBondContact O-CE2 3.38Å; I14-Y16 PolarHBondContact O-N 3.07Å; Y16-V18 VanDerWaalsContact C-N 3.32Å; Y16-V18 PolarHBondContact O-N 3.47Å; Y16-H19 WeakPolarHBondContact O-CB 3.33Å; Y16-H19 PolarHBondContact O-N 3.42Å; Y16-H19 VanDerWaalsContact O-N 3.1Å; Y16-E20 PolarHBondContact O-N 3.49Å
17T75.7Confident71.4Confident96 Ų96107 Ų10759%0.58959%0.592SS**Hα-helixtrans-59.5-40.4-176.9-52.40000112.5D15 E20 A21D15-T17 PolarHBondContact O-N 3.38Å; D15-T17 WeakPolarHBondContact OD1-CB 3.34Å; D15-T17 PolarHBondContact OD1-N 2.7Å; D15-T17 PolarHBondContact OD1-OG1 3.48Å; T17-E20 PolarHBondContact O-N 3.43Å; T17-A21 PolarHBondContact O-N 2.8Å
18V76.1Confident73.1Confident100 Ų100105.6 Ų105.661%0.60658%0.584SS**Hα-helixtrans-66.5-40.9177.5179.30000110.7Y16 E20 A21 W22Y16-V18 VanDerWaalsContact C-N 3.32Å; Y16-V18 PolarHBondContact O-N 3.47Å; V18-E20 VanDerWaalsContact C-N 3.35Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-W22 WeakPolarHBondContact O-CB 3.49Å; V18-W22 PolarHBondContact O-N 2.86Å
19H75.8Confident75Confident128 Ų128103.8 Ų103.859%0.59357%0.567SS**Hα-helixtrans-66.5-37.7176.5-76.7-67.8000112Y16 W22 N23Y16-H19 WeakPolarHBondContact O-CB 3.33Å; Y16-H19 PolarHBondContact O-N 3.42Å; Y16-H19 VanDerWaalsContact O-N 3.1Å; H19-W22 PolarHBondContact O-N 3.27Å; H19-N23 WeakPolarHBondContact O-CB 3.15Å; H19-N23 PolarHBondContact O-N 2.96Å
20E78.5Confident77.2Confident114 Ų114106 Ų10653%0.53357%0.569SS.*Hα-helixtrans-63.2-48.2175.7-161.663.4-134.600110.6Y16 T17 V18 W22 N23 E24Y16-E20 PolarHBondContact O-N 3.49Å; T17-E20 PolarHBondContact O-N 3.43Å; V18-E20 VanDerWaalsContact C-N 3.35Å; E20-W22 VanDerWaalsContact C-N 3.29Å; E20-W22 PolarHBondContact O-N 3.38Å; E20-N23 PolarHBondContact O-N 2.77Å; E20-E24 VanDerWaalsContact O-CB 3.22Å; E20-E24 WeakPolarHBondContact O-CB 3.23Å; E20-E24 PolarHBondContact O-N 3.44Å
21A81.8Confident79Confident56 Ų56103.6 Ų103.646%0.46356%0.555SS.*Hα-helixtrans-63.1-35.7176.800000112.6T17 V18 A25T17-A21 PolarHBondContact O-N 2.8Å; V18-A21 PolarHBondContact O-N 3.35Å; A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.35Å; A21-A25 PolarHBondContact O-N 2.98Å
22W88.7Confident81Confident188 Ų188101.2 Ų101.271%0.71255%0.545SS*.Hα-helixtrans-69.7-42.9176.9-130.977.5000112.1V18 H19 E20 T26V18-W22 WeakPolarHBondContact O-CB 3.49Å; V18-W22 PolarHBondContact O-N 2.86Å; H19-W22 PolarHBondContact O-N 3.27Å; E20-W22 VanDerWaalsContact C-N 3.29Å; E20-W22 PolarHBondContact O-N 3.38Å; W22-T26 VanDerWaalsContact O-CB 3.31Å; W22-T26 WeakPolarHBondContact O-CB 2.79Å; W22-T26 PolarHBondContact O-N 2.87Å; W22-T26 PolarHBondContact O-OG1 3.14Å
23N85.3Confident82.7Confident77 Ų77102.5 Ų102.541%0.41253%0.534SS..Hα-helixtrans-65.5-44.7175.4-175.945.9000110.4H19 E20 T26 N27H19-N23 WeakPolarHBondContact O-CB 3.15Å; H19-N23 PolarHBondContact O-N 2.96Å; E20-N23 PolarHBondContact O-N 2.77Å; N23-T26 PolarHBondContact O-N 3.24Å; N23-N27 PolarHBondContact ND2-ND2 3.37Å; N23-N27 WeakPolarHBondContact O-CB 3.34Å; N23-N27 PolarHBondContact O-N 2.93Å; N23-N27 PolarHBondContact O-ND2 2.94Å; N23-N27 PolarHBondContact OD1-ND2 3.25Å; N23-N27 PolarHBondContact OD1-OD1 2.85Å
24E81.8Confident84.3Confident129 Ų129103.8 Ų103.860%0.60353%0.533SS*.Hα-helixtrans-58.5-50.2176-172.7178.2-179.600110.9E20 T26 N27 V28E20-E24 VanDerWaalsContact O-CB 3.22Å; E20-E24 WeakPolarHBondContact O-CB 3.23Å; E20-E24 PolarHBondContact O-N 3.44Å; E24-T26 VanDerWaalsContact C-N 3.33Å; E24-T26 PolarHBondContact O-N 3.17Å; E24-N27 PolarHBondContact O-N 3.37Å; E24-V28 WeakPolarHBondContact O-CG2 3.17Å; E24-V28 PolarHBondContact O-N 2.9Å
25A87.4Confident85.8Confident50 Ų50102.8 Ų102.841%0.41353%0.532SS..Hα-helixtrans-60.5-42.6177.300000112A21 Y29A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.35Å; A21-A25 PolarHBondContact O-N 2.98Å; A25-Y29 WeakPolarHBondContact O-CD2 3.27Å; A25-Y29 WeakPolarHBondContact O-CE2 3.41Å
26T88.4Confident86.9Confident52 Ų52100.5 Ų100.532%0.31953%0.525SS..Hα-helixtrans-73-41-177.6-53.80000111.8W22 N23 E24 V28 Y29 L30W22-T26 VanDerWaalsContact O-CB 3.31Å; W22-T26 WeakPolarHBondContact O-CB 2.79Å; W22-T26 PolarHBondContact O-N 2.87Å; W22-T26 PolarHBondContact O-OG1 3.14Å; N23-T26 PolarHBondContact O-N 3.24Å; E24-T26 VanDerWaalsContact C-N 3.33Å; E24-T26 PolarHBondContact O-N 3.17Å; T26-V28 VanDerWaalsContact C-N 3.3Å; T26-V28 PolarHBondContact O-N 2.92Å; T26-Y29 PolarHBondContact O-N 3.36Å; T26-Y29 VanDerWaalsContact O-N 3.08Å; T26-L30 HydrophobicContact CG2-CD1 4.07Å; T26-L30 HydrophobicContact CG2-CG 4.18Å; T26-L30 WeakPolarHBondContact O-CG 3.38Å; T26-L30 PolarHBondContact O-N 3.45Å
27N92.2Very high88Confident61 Ų6199.3 Ų99.333%0.32652%0.522SS..Hα-helixtrans-61.2-39.5-179.9-74.7-19000111.5N23 E24 Y29 L30 I31N23-N27 PolarHBondContact ND2-ND2 3.37Å; N23-N27 WeakPolarHBondContact O-CB 3.34Å; N23-N27 PolarHBondContact O-N 2.93Å; N23-N27 PolarHBondContact O-ND2 2.94Å; N23-N27 PolarHBondContact OD1-ND2 3.25Å; N23-N27 PolarHBondContact OD1-OD1 2.85Å; E24-N27 PolarHBondContact O-N 3.37Å; N27-Y29 VanDerWaalsContact C-N 3.32Å; N27-Y29 PolarHBondContact O-N 3.12Å; N27-L30 PolarHBondContact O-N 3.4Å; N27-I31 WeakPolarHBondContact O-CB 3.13Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.31Å; N27-I31 PolarHBondContact O-N 3.13Å
28V91.7Very high88.7Confident85 Ų8596.7 Ų96.752%0.51552%0.515SS..Hα-helixtrans-57.7-47.3174173.50000110.4E24 T26 I31 V32E24-V28 WeakPolarHBondContact O-CG2 3.17Å; E24-V28 PolarHBondContact O-N 2.9Å; T26-V28 VanDerWaalsContact C-N 3.3Å; T26-V28 PolarHBondContact O-N 2.92Å; V28-I31 PolarHBondContact O-N 2.83Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.42Å; V28-V32 PolarHBondContact O-N 2.88Å
29Y91.9Very high89.3Confident161 Ų16197.4 Ų97.463%0.63152%0.515SS*.Hα-helixtrans-65.5-41.6176.9-64.5-60.4000112.6A25 T26 N27 I31 V32 I33A25-Y29 WeakPolarHBondContact O-CD2 3.27Å; A25-Y29 WeakPolarHBondContact O-CE2 3.41Å; T26-Y29 PolarHBondContact O-N 3.36Å; T26-Y29 VanDerWaalsContact O-N 3.08Å; N27-Y29 VanDerWaalsContact C-N 3.32Å; N27-Y29 PolarHBondContact O-N 3.12Å; Y29-I31 VanDerWaalsContact C-N 3.34Å; Y29-I31 PolarHBondContact O-N 3.45Å; Y29-V32 PolarHBondContact O-N 3.02Å; Y29-I33 WeakPolarHBondContact O-CB 3.35Å; Y29-I33 VanDerWaalsContact O-CG1 3.23Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 2.99Å
30L94.5Very high89.9Confident86 Ų8697.1 Ų97.145%0.4551%0.512SS..Hα-helixtrans-61.9-41.9177.7-69.2176.6000111.7T26 N27 I33 L34T26-L30 HydrophobicContact CG2-CD1 4.07Å; T26-L30 HydrophobicContact CG2-CG 4.18Å; T26-L30 WeakPolarHBondContact O-CG 3.38Å; T26-L30 PolarHBondContact O-N 3.45Å; N27-L30 PolarHBondContact O-N 3.4Å; L30-I33 PolarHBondContact O-N 3.49Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.44Å
31I94Very high90.2Very high104 Ų10495.3 Ų95.353%0.53350%0.504SS..Hα-helixtrans-63.2-45.5175.9-69.6166.3000110.3N27 V28 Y29 I33 L34 V35N27-I31 WeakPolarHBondContact O-CB 3.13Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.31Å; N27-I31 PolarHBondContact O-N 3.13Å; V28-I31 PolarHBondContact O-N 2.83Å; Y29-I31 VanDerWaalsContact C-N 3.34Å; Y29-I31 PolarHBondContact O-N 3.45Å; I31-I33 VanDerWaalsContact C-N 3.3Å; I31-I33 PolarHBondContact O-N 2.86Å; I31-L34 PolarHBondContact O-N 2.89Å; I31-V35 HydrophobicContact CG2-CG2 4.21Å; I31-V35 WeakPolarHBondContact O-CB 3.46Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.33Å; I31-V35 PolarHBondContact O-N 2.81Å
32V95.3Very high90.2Very high89 Ų89100.2 Ų100.254%0.53951%0.512SS..Hα-helixtrans-61.7-40.2176.9173.10000111.2V28 Y29 S36V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.42Å; V28-V32 PolarHBondContact O-N 2.88Å; Y29-V32 PolarHBondContact O-N 3.02Å; V32-S36 WeakPolarHBondContact O-CB 3.33Å; V32-S36 PolarHBondContact O-N 3.38Å; V32-S36 PolarHBondContact O-OG 2.9Å
33I93.6Very high89.7Confident99 Ų9993.8 Ų93.851%0.50850%0.499SS..Hα-helixtrans-64.9-43.6175.1-67.9164.6000110.5Y29 L30 I31 S36 F37Y29-I33 WeakPolarHBondContact O-CB 3.35Å; Y29-I33 VanDerWaalsContact O-CG1 3.23Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 2.99Å; L30-I33 PolarHBondContact O-N 3.49Å; I31-I33 VanDerWaalsContact C-N 3.3Å; I31-I33 PolarHBondContact O-N 2.86Å; I33-S36 WeakPolarHBondContact CA-OG 3.16Å; I33-S36 PolarHBondContact O-N 2.9Å; I33-S36 PolarHBondContact O-OG 3.3Å; I33-F37 WeakPolarHBondContact O-CB 3.4Å; I33-F37 PolarHBondContact O-N 3.45Å
34L94.3Very high89.3Confident127 Ų12796 Ų9667%0.66551%0.505SS*.Hα-helixtrans-66-43177.5-75.3172.9000112.5L30 I31 F37 G38L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.44Å; I31-L34 PolarHBondContact O-N 2.89Å; L34-F37 PolarHBondContact O-N 3.25Å; L34-G38 PolarHBondContact O-N 2.91Å
35V94.9Very high88.6Confident95 Ų95100.1 Ų100.158%0.57652%0.515SS*.Hα-helixtrans-65.2-44.1176.4171.70000110.1I31 G38 L39I31-V35 HydrophobicContact CG2-CG2 4.21Å; I31-V35 WeakPolarHBondContact O-CB 3.46Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.33Å; I31-V35 PolarHBondContact O-N 2.81Å; V35-G38 PolarHBondContact O-N 3.35Å; V35-L39 WeakPolarHBondContact O-CB 3.36Å; V35-L39 PolarHBondContact O-N 2.9Å
36S92.6Very high87.6Confident62 Ų6299.7 Ų99.743%0.43451%0.506SS..Hα-helixtrans-65.8-40.6176.467.40000111.8V32 I33 F40V32-S36 WeakPolarHBondContact O-CB 3.33Å; V32-S36 PolarHBondContact O-N 3.38Å; V32-S36 PolarHBondContact O-OG 2.9Å; I33-S36 WeakPolarHBondContact CA-OG 3.16Å; I33-S36 PolarHBondContact O-N 2.9Å; I33-S36 PolarHBondContact O-OG 3.3Å; S36-F40 WeakPolarHBondContact O-CA 3.4Å; S36-F40 WeakPolarHBondContact O-CB 3.39Å; S36-F40 PolarHBondContact O-N 3.43Å
37F93.4Very high86.1Confident126 Ų126103.3 Ų103.355%0.55352%0.517SS*.Hα-helixtrans-70.7-38.3177.7-160.7-98000111.8I33 L34 F40 M41I33-F37 WeakPolarHBondContact O-CB 3.4Å; I33-F37 PolarHBondContact O-N 3.45Å; L34-F37 PolarHBondContact O-N 3.25Å; F37-F40 PolarHBondContact O-N 3.33Å; F37-M41 HydrophobicContact CD1-CG 3.87Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE1-SD 4.22Å; F37-M41 HydrophobicContact CZ-CG 4.27Å; F37-M41 WeakPolarHBondContact O-CB 3.35Å; F37-M41 VanDerWaalsContact O-CG 3.23Å; F37-M41 WeakPolarHBondContact O-CG 3.17Å; F37-M41 PolarHBondContact O-N 2.83Å
38G90.7Very high84.5Confident42 Ų42109 Ų10943%0.43353%0.534SS..Hα-helixtrans-64.3-46.5173.200000111.8L34 V35 M41 Y42L34-G38 PolarHBondContact O-N 2.91Å; V35-G38 PolarHBondContact O-N 3.35Å; G38-M41 PolarHBondContact O-N 2.81Å; G38-Y42 WeakPolarHBondContact O-CB 3.11Å; G38-Y42 PolarHBondContact O-N 2.63Å
39L89.2Confident82.8Confident114 Ų114113.6 Ų113.660%0.59754%0.542SS*.Hα-helixtrans-66.2-41.1174.7-174.466.7000111.4V35 Y42 A43V35-L39 WeakPolarHBondContact O-CB 3.36Å; V35-L39 PolarHBondContact O-N 2.9Å; L39-Y42 PolarHBondContact O-N 3.47Å; L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.83Å
40F88.1Confident81.2Confident122 Ų122110.9 Ų110.954%0.53554%0.537SS..Hα-helixtrans-64.9-41.6175.9-179.5-100.6000111S36 F37 K44S36-F40 WeakPolarHBondContact O-CA 3.4Å; S36-F40 WeakPolarHBondContact O-CB 3.39Å; S36-F40 PolarHBondContact O-N 3.43Å; F37-F40 PolarHBondContact O-N 3.33Å; F40-K44 HydrophobicContact CE1-CD 3.98Å; F40-K44 HydrophobicContact CZ-CD 4.34Å; F40-K44 WeakPolarHBondContact O-CA 3.33Å; F40-K44 WeakPolarHBondContact O-CB 3.47Å; F40-K44 PolarHBondContact O-N 2.95Å
41M85.2Confident79.3Confident76 Ų76111 Ų11137%0.37454%0.537SS..Hα-helixtrans-69.5-39.6175.8-78.3-8854.100111.9F37 G38 K44 R45F37-M41 HydrophobicContact CD1-CG 3.87Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE1-SD 4.22Å; F37-M41 HydrophobicContact CZ-CG 4.27Å; F37-M41 WeakPolarHBondContact O-CB 3.35Å; F37-M41 VanDerWaalsContact O-CG 3.23Å; F37-M41 WeakPolarHBondContact O-CG 3.17Å; F37-M41 PolarHBondContact O-N 2.83Å; G38-M41 PolarHBondContact O-N 2.81Å; M41-K44 HydrophobicContact CE-CB 4.12Å; M41-K44 HydrophobicContact CE-CD 3.87Å; M41-K44 HydrophobicContact CE-CG 4.21Å; M41-K44 PolarHBondContact O-N 3.49Å; M41-R45 WeakPolarHBondContact O-CB 3.16Å; M41-R45 PolarHBondContact O-N 3.48Å
42Y81.8Confident77.5Confident160 Ų160114.2 Ų114.263%0.62754%0.542SS*.Hα-helixtrans-62.5-50.7173.9-179.1-101.5000110.9G38 L39 K44 R45 N46G38-Y42 WeakPolarHBondContact O-CB 3.11Å; G38-Y42 PolarHBondContact O-N 2.63Å; L39-Y42 PolarHBondContact O-N 3.47Å; Y42-K44 PolarHBondContact O-N 3.35Å; Y42-R45 PolarHBondContact O-N 2.77Å; Y42-N46 WeakPolarHBondContact O-CB 3.33Å; Y42-N46 PolarHBondContact O-N 3.25Å
43A77.7Confident75.9Confident53 Ų53116.5 Ų116.544%0.43855%0.55SS..Hα-helixtrans-64.5-39.317700000111.7L39 N46 K47L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.83Å; A43-N46 CarbonylContact O-C 3.46Å; A43-N46 PolarHBondContact O-N 2.82Å; A43-K47 WeakPolarHBondContact O-CA 3.03Å; A43-K47 VanDerWaalsContact O-CB 3.26Å; A43-K47 WeakPolarHBondContact O-CB 3.47Å; A43-K47 PolarHBondContact O-N 3.49Å
44K75.7Confident74.1Confident122 Ų122121.2 Ų121.253%0.5357%0.567SS.*Hα-helixtrans-69-42.7176.6-179.1171.9172.6-178.90111.8F40 M41 Y42 N46 K47F40-K44 HydrophobicContact CE1-CD 3.98Å; F40-K44 HydrophobicContact CZ-CD 4.34Å; F40-K44 WeakPolarHBondContact O-CA 3.33Å; F40-K44 WeakPolarHBondContact O-CB 3.47Å; F40-K44 PolarHBondContact O-N 2.95Å; M41-K44 HydrophobicContact CE-CB 4.12Å; M41-K44 HydrophobicContact CE-CD 3.87Å; M41-K44 HydrophobicContact CE-CG 4.21Å; M41-K44 PolarHBondContact O-N 3.49Å; Y42-K44 PolarHBondContact O-N 3.35Å; K44-N46 VanDerWaalsContact C-N 3.32Å; K44-K47 WeakPolarHBondContact O-CB 3.15Å; K44-K47 PolarHBondContact O-N 2.68Å
45R67.8Low71.8Confident217 Ų217117.6 Ų117.682%0.81955%0.552SS**Hα-helixtrans-66.9-36.9175.9-169.6164.9-179.8149-1.5110.8M41 Y42M41-R45 WeakPolarHBondContact O-CB 3.16Å; M41-R45 PolarHBondContact O-N 3.48Å; Y42-R45 PolarHBondContact O-N 2.77Å
46N65.5Low69.6Low41 Ų41119.3 Ų119.322%0.21956%0.563CS.*Hα-helixtrans-84.1-14.1174.9-159.934.1000113.6Y42 A43 K44 R48 R49 I50Y42-N46 WeakPolarHBondContact O-CB 3.33Å; Y42-N46 PolarHBondContact O-N 3.25Å; A43-N46 CarbonylContact O-C 3.46Å; A43-N46 PolarHBondContact O-N 2.82Å; K44-N46 VanDerWaalsContact C-N 3.32Å; N46-R48 PolarHBondContact O-N 2.75Å; N46-R49 CarbonylContact O-C 3.51Å; N46-R49 WeakPolarHBondContact O-CA 3.06Å; N46-R49 WeakPolarHBondContact O-CB 3.49Å; N46-R49 PolarHBondContact O-N 3.48Å; N46-R49 WeakPolarHBondContact OD1-CB 3.32Å; N46-I50 WeakPolarHBondContact ND2-CD1 3.15Å; N46-I50 PolarHBondContact O-N 3.19Å
47K57.3Low67.7Low127 Ų127121.5 Ų121.555%0.55258%0.575SS**Hα-helixtrans-59.4-36.3175-146.6-172.5-177.3-167.90109.6A43 K44 R49 M51A43-K47 WeakPolarHBondContact O-CA 3.03Å; A43-K47 VanDerWaalsContact O-CB 3.26Å; A43-K47 WeakPolarHBondContact O-CB 3.47Å; A43-K47 PolarHBondContact O-N 3.49Å; K44-K47 WeakPolarHBondContact O-CB 3.15Å; K44-K47 PolarHBondContact O-N 2.68Å; K47-R49 PolarHBondContact O-N 3.41Å; K47-M51 HydrophobicContact CD-SD 4.48Å; K47-M51 HydrophobicContact CG-CG 4.42Å; K47-M51 HydrophobicContact CG-SD 4.37Å; K47-M51 VanDerWaalsContact O-CB 3.23Å; K47-M51 WeakPolarHBondContact O-CB 3.37Å; K47-M51 PolarHBondContact O-N 3.28Å
48R58.4Low65.8Low182 Ų182118.6 Ų118.669%0.68757%0.569SS**Hα-helixtrans-59.3-30.7170.2-67.2-166.6-170.8-170.43.8113.5N46N46-R48 PolarHBondContact O-N 2.75Å
49R57.3Low63.8Low180 Ų180123.1 Ų123.168%0.67959%0.589SS**Hα-helixtrans-91.4-35.2-179.3-115.6-171.4-174.2-156.61.6113.5N46 K47 R52N46-R49 CarbonylContact O-C 3.51Å; N46-R49 WeakPolarHBondContact O-CA 3.06Å; N46-R49 WeakPolarHBondContact O-CB 3.49Å; N46-R49 PolarHBondContact O-N 3.48Å; N46-R49 WeakPolarHBondContact OD1-CB 3.32Å; K47-R49 PolarHBondContact O-N 3.41Å; R49-R52 WeakPolarHBondContact O-CB 3.46Å; R49-R52 PolarHBondContact O-N 3.5Å
50I57Low61.8Low104 Ų104124.1 Ų124.153%0.53359%0.59SS.*Hα-helixtrans-83.8-36.8179.1-63.7174.4000111.9N46 R52 I53N46-I50 WeakPolarHBondContact ND2-CD1 3.15Å; N46-I50 PolarHBondContact O-N 3.19Å; I50-R52 PolarHBondContact O-N 2.94Å; I50-I53 PolarHBondContact O-N 3.32Å
51M55.1Low59.9Low89 Ų89127 Ų12744%0.43861%0.606SS.*Hα-helixtrans-59.1-26.3167.5-85.3179.9141.700111.1K47 I53 S55K47-M51 HydrophobicContact CD-SD 4.48Å; K47-M51 HydrophobicContact CG-CG 4.42Å; K47-M51 HydrophobicContact CG-SD 4.37Å; K47-M51 VanDerWaalsContact O-CB 3.23Å; K47-M51 WeakPolarHBondContact O-CB 3.37Å; K47-M51 PolarHBondContact O-N 3.28Å; M51-I53 PolarHBondContact O-N 2.8Å; M51-S55 WeakPolarHBondContact CA-OG 3.38Å; M51-S55 WeakPolarHBondContact CG-OG 2.98Å; M51-S55 CarbonylContact O-C 3.57Å; M51-S55 WeakPolarHBondContact O-CA 3.07Å; M51-S55 WeakPolarHBondContact O-CB 3.36Å; M51-S55 PolarHBondContact O-N 3.17Å; M51-S55 PolarHBondContact O-OG 3.16Å
52R55.9Low57.9Low172 Ų172128.8 Ų128.865%0.64962%0.621SS**Hα-helixtrans-63.8-19.3-179.5-123.4-177.6179.5173.53.3115.2R49 I50R49-R52 WeakPolarHBondContact O-CB 3.46Å; R49-R52 PolarHBondContact O-N 3.5Å; I50-R52 PolarHBondContact O-N 2.94Å
53I62.2Low56.2Low137 Ų137128.7 Ų128.770%0.70363%0.63SS**Hα-helixtrans-103.5-34-174.4-54.7175000112.1I50 M51I50-I53 PolarHBondContact O-N 3.32Å; M51-I53 PolarHBondContact O-N 2.8Å
54F55.6Low54.9Low197 Ų197131.1 Ų131.186%0.86464%0.644SS**Hα-helixtrans-115.5-18.6-176.3-82-77.9000114.8
55S46.3Very low53.6Low51 Ų51134.1 Ų134.136%0.35766%0.66SS.*SBendtrans-95.7126.1171.2-33.30000106.2M51M51-S55 WeakPolarHBondContact CA-OG 3.38Å; M51-S55 WeakPolarHBondContact CG-OG 2.98Å; M51-S55 CarbonylContact O-C 3.57Å; M51-S55 WeakPolarHBondContact O-CA 3.07Å; M51-S55 WeakPolarHBondContact O-CB 3.36Å; M51-S55 PolarHBondContact O-N 3.17Å; M51-S55 PolarHBondContact O-OG 3.16Å
56V48.3Very low53.3Low131 Ų131126.9 Ų126.979%0.79464%0.641SS**SBendtrans-30.7130.1169176.10000110.3P58V56-P58 VanDerWaalsContact O-N 3.16Å
57P53Low53.1Low108 Ų108129.9 Ų129.970%0.70166%0.657SS**  trans-41.9120.1-166.813.4-30.7000111.6T59P57-T59 PolarHBondContact O-N 3.03Å
58P53.8Low53.2Low66 Ų66130.6 Ų130.643%0.42966%0.661SS.*  trans-68.4111.4-178.523.6-27.7000108.4V56 E60V56-P58 VanDerWaalsContact O-N 3.16Å; P58-E60 PolarHBondContact O-N 2.95Å
59T47.9Very low53.5Low137 Ų137130.3 Ų130.384%0.8466%0.661SS**  trans-47.292.1151.123.60000107.8P57 E61P57-T59 PolarHBondContact O-N 3.03Å; T59-E61 VanDerWaalsContact C-N 3.33Å; T59-E61 PolarHBondContact O-N 2.88Å
60E48.1Very low54.4Low134 Ų134125 Ų12563%0.62665%0.646SS**  trans-61.5102.4164.4-67.1-143.414400107P58 T62P58-E60 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact C-N 3.26Å; E60-T62 PolarHBondContact O-N 2.97Å
61E47.7Very low55.4Low184 Ų184122.8 Ų122.886%0.8664%0.637SS**  trans-56.297.3150.1-67.7-176.3165.400107.2T59T59-E61 VanDerWaalsContact C-N 3.33Å; T59-E61 PolarHBondContact O-N 2.88Å
62T43.3Very low56.6Low113 Ų113122.5 Ų122.569%0.69364%0.637SS**SBendtrans-172.5112.5138.516.60000110.1E60E60-T62 VanDerWaalsContact C-N 3.26Å; E60-T62 PolarHBondContact O-N 2.97Å
63L46.4Very low58Low157 Ų157117.7 Ų117.782%0.82263%0.629SS**SBendtrans79.699.1165.2-44.8-175.5000114.1
64S49.5Very low59Low105 Ų105117 Ų11773%0.73462%0.621SS**  trans78.7101167.8880000112.6P66S64-P66 WeakPolarHBondContact O-CD 3.14Å; S64-P66 WeakPolarHBondContact OG-CD 3.13Å
65E50Low60.5Low185 Ų185111.9 Ų111.986%0.86460%0.602SS**  trans-87.941.4158.5-152.3-178.7156.800112.3N67E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 2.89Å
66P60.1Low62.5Low65 Ų65117.4 Ų117.442%0.42262%0.615SS.*  trans-9845.4178.243.5-37.3000110S64 D70S64-P66 WeakPolarHBondContact O-CD 3.14Å; S64-P66 WeakPolarHBondContact OG-CD 3.13Å; P66-D70 WeakPolarHBondContact O-CB 3.37Å; P66-D70 VanDerWaalsContact O-OD2 3.12Å
67N62Low64.4Low104 Ų104116 Ų11656%0.55660%0.603SS**SBendtrans-128.3-32.6-179.6-144.5-24.9000114.9E65 T71E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 2.89Å; N67-T71 WeakPolarHBondContact O-CA 3.15Å; N67-T71 WeakPolarHBondContact O-CB 3.48Å; N67-T71 PolarHBondContact O-N 2.65Å; N67-T71 PolarHBondContact O-OG1 2.81Å; N67-T71 PolarHBondContact OD1-OG1 3.48Å
68F60Low66Low141 Ų141119 Ų11962%0.61860%0.6SS**Hα-helixtrans-70.2-57.1179.1-171.7-98.8000111.9D70 T71 I72F68-D70 VanDerWaalsContact C-N 3.33Å; F68-D70 PolarHBondContact O-N 2.82Å; F68-T71 PolarHBondContact O-N 3.29Å; F68-I72 HydrophobicContact CE1-CG1 4.18Å; F68-I72 HydrophobicContact CZ-CG1 4.3Å; F68-I72 WeakPolarHBondContact O-CG1 3.36Å; F68-I72 PolarHBondContact O-N 3.5Å
69Y63.9Low67.6Low176 Ų176122 Ų12269%0.6961%0.608SS**Hα-helixtrans-68.2-33.4176.3-71.9-73.8000112.4I72 S73Y69-I72 PolarHBondContact O-N 3.43Å; Y69-S73 WeakPolarHBondContact O-CA 3.16Å; Y69-S73 WeakPolarHBondContact O-CB 3.48Å; Y69-S73 PolarHBondContact O-N 2.79Å; Y69-S73 PolarHBondContact O-OG 3.4Å
70D75.7Confident69.4Low69 Ų69120.5 Ų120.537%0.36959%0.592SS.*Hα-helixtrans-62.2-43171.9-95.830.4000111.4P66 F68 K74P66-D70 WeakPolarHBondContact O-CB 3.37Å; P66-D70 VanDerWaalsContact O-OD2 3.12Å; F68-D70 VanDerWaalsContact C-N 3.33Å; F68-D70 PolarHBondContact O-N 2.82Å; D70-K74 WeakPolarHBondContact O-CB 3.16Å; D70-K74 WeakPolarHBondContact O-CD 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.23Å; D70-K74 PolarHBondContact O-N 2.75Å; D70-K74 IonicContact OD2-NZ 3.49Å; D70-K74 PolarHBondContact OD2-NZ 2.78Å
71T79.6Confident71.2Confident58 Ų58119 Ų11936%0.35659%0.588SS.*Hα-helixtrans-67.3-46.7178.1-61.60000110.4N67 F68 S73 K74 I75N67-T71 WeakPolarHBondContact O-CA 3.15Å; N67-T71 WeakPolarHBondContact O-CB 3.48Å; N67-T71 PolarHBondContact O-N 2.65Å; N67-T71 PolarHBondContact O-OG1 2.81Å; N67-T71 PolarHBondContact OD1-OG1 3.48Å; F68-T71 PolarHBondContact O-N 3.29Å; T71-S73 PolarHBondContact O-N 3.26Å; T71-K74 PolarHBondContact O-N 2.82Å; T71-I75 HydrophobicContact CG2-CD1 3.74Å; T71-I75 HydrophobicContact CG2-CG1 4.35Å; T71-I75 WeakPolarHBondContact O-CB 3.43Å; T71-I75 WeakPolarHBondContact O-CD1 3.08Å; T71-I75 WeakPolarHBondContact O-CG1 3.35Å; T71-I75 PolarHBondContact O-N 3.4Å
72I80.4Confident73Confident83 Ų83114.6 Ų114.643%0.42657%0.567SS.*Hα-helixtrans-63-43.5177.1-65.3-70.5000111.2F68 Y69 I75 R76F68-I72 HydrophobicContact CE1-CG1 4.18Å; F68-I72 HydrophobicContact CZ-CG1 4.3Å; F68-I72 WeakPolarHBondContact O-CG1 3.36Å; F68-I72 PolarHBondContact O-N 3.5Å; Y69-I72 PolarHBondContact O-N 3.43Å; I72-I75 PolarHBondContact O-N 2.74Å; I72-R76 VanDerWaalsContact O-CB 3.32Å; I72-R76 WeakPolarHBondContact O-CB 3.18Å; I72-R76 PolarHBondContact O-N 3.47Å
73S83.6Confident74.9Confident70 Ų70116 Ų11649%0.4957%0.567SS.*Hα-helixtrans-66.7-40.8177.8-58.30000111.2Y69 T71 R76 L77Y69-S73 WeakPolarHBondContact O-CA 3.16Å; Y69-S73 WeakPolarHBondContact O-CB 3.48Å; Y69-S73 PolarHBondContact O-N 2.79Å; Y69-S73 PolarHBondContact O-OG 3.4Å; T71-S73 PolarHBondContact O-N 3.26Å; S73-R76 PolarHBondContact O-N 3.48Å; S73-L77 WeakPolarHBondContact O-CB 3.5Å; S73-L77 PolarHBondContact O-N 2.74Å
74K84.3Confident76.7Confident122 Ų122114.8 Ų114.853%0.5355%0.553SS.*Hα-helixtrans-63-43173.2-75.7166-162.9168.30111.3D70 T71 R78D70-K74 WeakPolarHBondContact O-CB 3.16Å; D70-K74 WeakPolarHBondContact O-CD 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.23Å; D70-K74 PolarHBondContact O-N 2.75Å; D70-K74 IonicContact OD2-NZ 3.49Å; D70-K74 PolarHBondContact OD2-NZ 2.78Å; T71-K74 PolarHBondContact O-N 2.82Å; K74-R78 WeakPolarHBondContact O-CB 3.02Å; K74-R78 PolarHBondContact O-N 2.77Å
75I86.9Confident78Confident90 Ų90112.4 Ų112.446%0.46254%0.536SS..Hα-helixtrans-62.5-50.5176-70.7165.3000109.8T71 I72 L77 R78 Q79T71-I75 HydrophobicContact CG2-CD1 3.74Å; T71-I75 HydrophobicContact CG2-CG1 4.35Å; T71-I75 WeakPolarHBondContact O-CB 3.43Å; T71-I75 WeakPolarHBondContact O-CD1 3.08Å; T71-I75 WeakPolarHBondContact O-CG1 3.35Å; T71-I75 PolarHBondContact O-N 3.4Å; I72-I75 PolarHBondContact O-N 2.74Å; I75-L77 PolarHBondContact O-N 3.47Å; I75-R78 PolarHBondContact O-N 3.43Å; I75-Q79 WeakPolarHBondContact O-CB 3.46Å; I75-Q79 PolarHBondContact O-N 2.85Å
76R87.8Confident79.3Confident168 Ų168107.8 Ų107.863%0.63452%0.516SS*.Hα-helixtrans-62.6-44.2-179.3-173.3177179.6179.81.3111.9I72 S73 Q79 Q80I72-R76 VanDerWaalsContact O-CB 3.32Å; I72-R76 WeakPolarHBondContact O-CB 3.18Å; I72-R76 PolarHBondContact O-N 3.47Å; S73-R76 PolarHBondContact O-N 3.48Å; R76-Q79 PolarHBondContact O-N 3.43Å; R76-Q80 WeakPolarHBondContact O-CB 3.14Å; R76-Q80 WeakPolarHBondContact O-CG 3.19Å; R76-Q80 PolarHBondContact O-N 3.46Å
77L88.8Confident80.1Confident102 Ų102107 Ų10753%0.53451%0.513SS..Hα-helixtrans-63.7-45.5177.4-173.1105.3000111S73 I75 Q79 Q80 L81S73-L77 WeakPolarHBondContact O-CB 3.5Å; S73-L77 PolarHBondContact O-N 2.74Å; I75-L77 PolarHBondContact O-N 3.47Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.44Å; L77-Q80 PolarHBondContact O-N 2.81Å; L77-L81 HydrophobicContact CD2-CD1 4.04Å; L77-L81 HydrophobicContact CG-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CG 3.23Å; L77-L81 PolarHBondContact O-N 2.82Å
78R86Confident80.4Confident169 Ų169107.7 Ų107.764%0.63851%0.507SS*.Hα-helixtrans-58.2-46.5175.8-178177.6-179.3165.45.4111K74 I75 Q80 L81 E82K74-R78 WeakPolarHBondContact O-CB 3.02Å; K74-R78 PolarHBondContact O-N 2.77Å; I75-R78 PolarHBondContact O-N 3.43Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-Q80 PolarHBondContact O-N 2.89Å; R78-L81 PolarHBondContact O-N 2.78Å; R78-E82 HydrophobicContact CG-CG 4.43Å; R78-E82 WeakPolarHBondContact CG-OE1 3.42Å; R78-E82 IonicContact CZ-OE1 3.76Å; R78-E82 IonicContact NE-OE1 2.9Å; R78-E82 PolarHBondContact NE-OE1 2.72Å; R78-E82 IonicContact NH2-OE1 3.76Å; R78-E82 WeakPolarHBondContact O-CB 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.2Å; R78-E82 PolarHBondContact O-N 3.26Å
79Q86.6Confident80.8Confident130 Ų130107.6 Ų107.661%0.60751%0.507SS*.Hα-helixtrans-65.1-36.7179-163172.7-7.500112.3I75 R76 L77 M83I75-Q79 WeakPolarHBondContact O-CB 3.46Å; I75-Q79 PolarHBondContact O-N 2.85Å; R76-Q79 PolarHBondContact O-N 3.43Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.44Å; Q79-M83 WeakPolarHBondContact O-CB 3.48Å; Q79-M83 PolarHBondContact O-N 3.41Å
80Q87.5Confident80.5Confident105 Ų105106.1 Ų106.149%0.49150%0.501SS..Hα-helixtrans-67.5-41.6173.7-76.5179.6-1.200112.7R76 L77 R78 M83 Y84R76-Q80 WeakPolarHBondContact O-CB 3.14Å; R76-Q80 WeakPolarHBondContact O-CG 3.19Å; R76-Q80 PolarHBondContact O-N 3.46Å; L77-Q80 PolarHBondContact O-N 2.81Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-Q80 PolarHBondContact O-N 2.89Å; Q80-M83 PolarHBondContact O-N 3.31Å; Q80-Y84 VanDerWaalsContact O-CB 3.26Å; Q80-Y84 WeakPolarHBondContact O-CB 3.44Å; Q80-Y84 PolarHBondContact O-N 3.28Å
81L86.1Confident79.8Confident104 Ų104107.9 Ų107.955%0.54551%0.51SS..Hα-helixtrans-69.4-39.7177-72.8174.7000112L77 R78 Y84 S85L77-L81 HydrophobicContact CD2-CD1 4.04Å; L77-L81 HydrophobicContact CG-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CG 3.23Å; L77-L81 PolarHBondContact O-N 2.82Å; R78-L81 PolarHBondContact O-N 2.78Å; L81-Y84 PolarHBondContact O-N 3.07Å; L81-S85 VanDerWaalsContact O-CB 3.25Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-OG 3.22Å; L81-S85 VanDerWaalsContact O-OG 3.13Å
82E85.4Confident78.8Confident90 Ų90112.5 Ų112.542%0.42152%0.522SS..Hα-helixtrans-60-49.9172.9-75.4174.8-171.200109.9R78 Y84 S85 I86R78-E82 HydrophobicContact CG-CG 4.43Å; R78-E82 WeakPolarHBondContact CG-OE1 3.42Å; R78-E82 IonicContact CZ-OE1 3.76Å; R78-E82 IonicContact NE-OE1 2.9Å; R78-E82 PolarHBondContact NE-OE1 2.72Å; R78-E82 IonicContact NH2-OE1 3.76Å; R78-E82 WeakPolarHBondContact O-CB 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.2Å; R78-E82 PolarHBondContact O-N 3.26Å; E82-Y84 PolarHBondContact O-N 3.44Å; E82-S85 PolarHBondContact O-N 3.2Å; E82-S85 PolarHBondContact O-OG 2.85Å; E82-I86 WeakPolarHBondContact O-CB 3.25Å; E82-I86 WeakPolarHBondContact O-CD1 3.23Å; E82-I86 WeakPolarHBondContact O-CG1 3.45Å; E82-I86 PolarHBondContact O-N 2.86Å
83M81.9Confident77.6Confident143 Ų143113.2 Ų113.270%0.70452%0.524SS*.Hα-helixtrans-60.4-45.4176.6-173.9-179.7179.100112.7Q79 Q80 I86 S87Q79-M83 WeakPolarHBondContact O-CB 3.48Å; Q79-M83 PolarHBondContact O-N 3.41Å; Q80-M83 PolarHBondContact O-N 3.31Å; M83-I86 PolarHBondContact O-N 3.08Å; M83-S87 WeakPolarHBondContact O-CB 3.18Å; M83-S87 PolarHBondContact O-N 2.87Å; M83-S87 PolarHBondContact O-OG 2.95Å
84Y83.8Confident76.1Confident131 Ų131116.1 Ų116.151%0.51453%0.53SS..Hα-helixtrans-67.2-38.1179.9-177.9-98.8000112.4Q80 L81 E82 S87 R88Q80-Y84 VanDerWaalsContact O-CB 3.26Å; Q80-Y84 WeakPolarHBondContact O-CB 3.44Å; Q80-Y84 PolarHBondContact O-N 3.28Å; L81-Y84 PolarHBondContact O-N 3.07Å; E82-Y84 PolarHBondContact O-N 3.44Å; Y84-S87 WeakPolarHBondContact CA-OG 3.01Å; Y84-S87 PolarHBondContact O-OG 3.31Å; Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.98Å; Y84-R88 PolarHBondContact OH-NH2 3.18Å; Y84-R88 VanDerWaalsContact OH-NH2 3.12Å
85S78.5Confident74.7Confident55 Ų55114.3 Ų114.339%0.38553%0.53SS..Hα-helixtrans-69.5-38.2176.271.80000112L81 E82 K89L81-S85 VanDerWaalsContact O-CB 3.25Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-OG 3.22Å; L81-S85 VanDerWaalsContact O-OG 3.13Å; E82-S85 PolarHBondContact O-N 3.2Å; E82-S85 PolarHBondContact O-OG 2.85Å; S85-K89 WeakPolarHBondContact O-CB 3.36Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.19Å; S85-K89 PolarHBondContact O-N 3.46Å
86I77.4Confident73Confident88 Ų88116.9 Ų116.945%0.45154%0.54SS..Hα-helixtrans-66.6-49.9175.7-70.1167.3000109.6E82 M83 R88 K89 Y90E82-I86 WeakPolarHBondContact O-CB 3.25Å; E82-I86 WeakPolarHBondContact O-CD1 3.23Å; E82-I86 WeakPolarHBondContact O-CG1 3.45Å; E82-I86 PolarHBondContact O-N 2.86Å; M83-I86 PolarHBondContact O-N 3.08Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.38Å; I86-K89 PolarHBondContact O-N 3.2Å; I86-Y90 HydrophobicContact CG2-CD2 3.6Å; I86-Y90 HydrophobicContact CG2-CE2 3.39Å; I86-Y90 WeakPolarHBondContact O-CD2 3.36Å; I86-Y90 PolarHBondContact O-N 2.76Å
87S76.2Confident71.2Confident50 Ų50113.6 Ų113.635%0.3554%0.535SS..Hα-helixtrans-59.9-42.5179.167.90000111.4M83 Y84 Y90 D91M83-S87 WeakPolarHBondContact O-CB 3.18Å; M83-S87 PolarHBondContact O-N 2.87Å; M83-S87 PolarHBondContact O-OG 2.95Å; Y84-S87 WeakPolarHBondContact CA-OG 3.01Å; Y84-S87 PolarHBondContact O-OG 3.31Å; S87-Y90 PolarHBondContact O-N 2.95Å; S87-D91 PolarHBondContact O-N 3.28Å
88R68.7Low69.4Low117 Ų117114.9 Ų114.944%0.44254%0.539SS..Hα-helixtrans-67.6-40.6176.8-143.8-152.5-79.2-168.7-12.7111.6Y84 I86 Y90 D91 Y92Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.98Å; Y84-R88 PolarHBondContact OH-NH2 3.18Å; Y84-R88 VanDerWaalsContact OH-NH2 3.12Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.38Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3.46Å; R88-D91 CarbonylContact O-C 3.6Å; R88-D91 PolarHBondContact O-N 3.35Å; R88-D91 VanDerWaalsContact O-N 3.14Å; R88-Y92 HydrophobicContact CG-CD2 3.86Å; R88-Y92 HydrophobicContact CG-CE2 3.72Å; R88-Y92 VanDerWaalsContact O-CD2 3.27Å; R88-Y92 WeakPolarHBondContact O-CD2 3.16Å; R88-Y92 PolarHBondContact O-N 2.83Å
89K66.7Low67.8Low139 Ų139109.2 Ų109.260%0.60453%0.528SS*.Hα-helixtrans-58.2-41173.3-80.9-178.8178.7-172.90111.3S85 I86 Y92 Q93S85-K89 WeakPolarHBondContact O-CB 3.36Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.19Å; S85-K89 PolarHBondContact O-N 3.46Å; I86-K89 PolarHBondContact O-N 3.2Å; K89-Y92 PolarHBondContact O-N 3.27Å; K89-Q93 WeakPolarHBondContact O-CB 3.2Å; K89-Q93 VanDerWaalsContact O-CG 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 3.36Å; K89-Q93 PolarHBondContact O-OE1 3.35Å
90Y58.3Low66.1Low146 Ų146107.9 Ų107.957%0.57353%0.525SS*.Hα-helixtrans-66.4-39173.4-77-69.5000112.9I86 S87 R88 Y92 Q93 Q94I86-Y90 HydrophobicContact CG2-CD2 3.6Å; I86-Y90 HydrophobicContact CG2-CE2 3.39Å; I86-Y90 WeakPolarHBondContact O-CD2 3.36Å; I86-Y90 PolarHBondContact O-N 2.76Å; S87-Y90 PolarHBondContact O-N 2.95Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3.46Å; Y90-Y92 VanDerWaalsContact C-N 3.32Å; Y90-Y92 PolarHBondContact O-N 3.01Å; Y90-Q93 PolarHBondContact O-N 2.84Å; Y90-Q94 WeakPolarHBondContact O-CB 3.37Å; Y90-Q94 PolarHBondContact O-N 2.76Å
91D60.9Low64.6Low105 Ų105105.8 Ų105.856%0.56152%0.522SS*.Hα-helixtrans-67.7-25.8174-85.5-35.9000113.7S87 R88 P95S87-D91 PolarHBondContact O-N 3.28Å; R88-D91 CarbonylContact O-C 3.6Å; R88-D91 PolarHBondContact O-N 3.35Å; R88-D91 VanDerWaalsContact O-N 3.14Å; D91-P95 WeakPolarHBondContact O-CD 3.38Å; D91-P95 VanDerWaalsContact O-CG 3.29Å; D91-P95 WeakPolarHBondContact O-CG 3.22Å
92Y58Low63Low155 Ų155105 Ų10561%0.60852%0.521SS*.Hα-helixtrans-89.6-29.4172.9-83.3-90.2000112.3R88 K89 Y90 P95R88-Y92 HydrophobicContact CG-CD2 3.86Å; R88-Y92 HydrophobicContact CG-CE2 3.72Å; R88-Y92 VanDerWaalsContact O-CD2 3.27Å; R88-Y92 WeakPolarHBondContact O-CD2 3.16Å; R88-Y92 PolarHBondContact O-N 2.83Å; K89-Y92 PolarHBondContact O-N 3.27Å; Y90-Y92 VanDerWaalsContact C-N 3.32Å; Y90-Y92 PolarHBondContact O-N 3.01Å; Y92-P95 WeakPolarHBondContact O-CD 2.96Å; Y92-P95 WeakPolarHBondContact O-CG 3.36Å
93Q56.3Low61.4Low99 Ų99108.1 Ų108.146%0.46354%0.536SS..Hα-helixtrans-77.9-24.1174.1-75.8173.1-39.700112.5K89 Y90 N97K89-Q93 WeakPolarHBondContact O-CB 3.2Å; K89-Q93 VanDerWaalsContact O-CG 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 3.36Å; K89-Q93 PolarHBondContact O-OE1 3.35Å; Y90-Q93 PolarHBondContact O-N 2.84Å; Q93-N97 WeakPolarHBondContact O-CB 3.3Å; Q93-N97 PolarHBondContact O-N 3.1Å; Q93-N97 PolarHBondContact O-ND2 2.72Å
94Q52.6Low59.9Low131 Ų131108.5 Ų108.561%0.61254%0.54SS*.Hα-helixtrans-65.4-45.8172.1-94.3-173.725.600113.6Y90 Q96 Q98Y90-Q94 WeakPolarHBondContact O-CB 3.37Å; Y90-Q94 PolarHBondContact O-N 2.76Å; Q94-Q96 PolarHBondContact O-N 3.32Å; Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 PolarHBondContact O-N 2.97Å
95P53.4Low58.6Low83 Ų83106.9 Ų106.954%0.53955%0.548SS..Hα-helixtrans-73.1-27.1177.323.7-31.2000112.9D91 Y92D91-P95 WeakPolarHBondContact O-CD 3.38Å; D91-P95 VanDerWaalsContact O-CG 3.29Å; D91-P95 WeakPolarHBondContact O-CG 3.22Å; Y92-P95 WeakPolarHBondContact O-CD 2.96Å; Y92-P95 WeakPolarHBondContact O-CG 3.36Å
96Q51.7Low57.5Low144 Ų144111.9 Ų111.967%0.67357%0.569SS**Hα-helixtrans-87.1-41-177.7-138.7173.2-600113.4Q94 Q98 A99 D100Q94-Q96 PolarHBondContact O-N 3.32Å; Q96-Q98 VanDerWaalsContact C-N 3.33Å; Q96-Q98 PolarHBondContact O-N 2.98Å; Q96-A99 PolarHBondContact O-N 2.62Å; Q96-D100 PolarHBondContact O-N 3.2Å
97N50.4Low56.1Low99 Ų99119.4 Ų119.453%0.52960%0.603SS.*Hα-helixtrans-74.5-22.6175.1-77.8-59.9000113.2Q93 S101Q93-N97 WeakPolarHBondContact O-CB 3.3Å; Q93-N97 PolarHBondContact O-N 3.1Å; Q93-N97 PolarHBondContact O-ND2 2.72Å; N97-S101 WeakPolarHBondContact O-CB 2.92Å; N97-S101 PolarHBondContact O-N 3.2Å; N97-S101 VanDerWaalsContact O-N 3.07Å; N97-S101 PolarHBondContact O-OG 2.81Å
98Q51.6Low55.1Low130 Ų130122.9 Ų122.961%0.60762%0.615SS**Hα-helixtrans-75.9-26.4175-161169.122.500112.3Q94 Q96 S101 V102Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 PolarHBondContact O-N 2.97Å; Q96-Q98 VanDerWaalsContact C-N 3.33Å; Q96-Q98 PolarHBondContact O-N 2.98Å; Q98-S101 WeakPolarHBondContact CA-OG 3.14Å; Q98-V102 HydrophobicContact CG-CG2 4.31Å; Q98-V102 WeakPolarHBondContact O-CB 3.4Å; Q98-V102 WeakPolarHBondContact O-CG2 3.32Å; Q98-V102 PolarHBondContact O-N 3.5Å
99A52Low54.3Low50 Ų50123.2 Ų123.241%0.41363%0.625SS.*Hα-helixtrans-70.4-43172.700000111.9Q96 Q103Q96-A99 PolarHBondContact O-N 2.62Å; A99-Q103 PolarHBondContact O-N 3.22Å
100D51.3Low53.7Low101 Ų101122.3 Ų122.354%0.5463%0.626SS.*Hα-helixtrans-75.7-36.5-177.5-66.4-18.2000112.4Q96 L104Q96-D100 PolarHBondContact O-N 3.2Å; D100-L104 PolarHBondContact O-N 3.05Å; D100-L104 VanDerWaalsContact O-N 3.15Å
101S56.2Low53.4Low62 Ų62120.9 Ų120.943%0.43463%0.629SS.*Hα-helixtrans-71.3-29.4177.155.10000113.8N97 Q98 S105N97-S101 WeakPolarHBondContact O-CB 2.92Å; N97-S101 PolarHBondContact O-N 3.2Å; N97-S101 VanDerWaalsContact O-N 3.07Å; N97-S101 PolarHBondContact O-OG 2.81Å; Q98-S101 WeakPolarHBondContact CA-OG 3.14Å; S101-S105 PolarHBondContact O-OG 3Å
102V52.8Low52.9Low86 Ų86121.9 Ų121.952%0.52163%0.633SS.*Hα-helixtrans-75.4-33.8176.71750000111.4Q98Q98-V102 HydrophobicContact CG-CG2 4.31Å; Q98-V102 WeakPolarHBondContact O-CB 3.4Å; Q98-V102 WeakPolarHBondContact O-CG2 3.32Å; Q98-V102 PolarHBondContact O-N 3.5Å
103Q51.8Low52.6Low156 Ų156119.7 Ų119.773%0.72964%0.635SS**Hα-helixtrans-73.2-37.8174.8-74.5-170.121.600112.8A99 S105 L106A99-Q103 PolarHBondContact O-N 3.22Å; Q103-S105 PolarHBondContact O-N 2.76Å; Q103-L106 PolarHBondContact O-N 3.03Å
104L49.9Very low52.3Low152 Ų152121.2 Ų121.280%0.79665%0.647SS**THydrogen-bonded Turntrans-70.7-12.7179.9-130103.3000114.1D100D100-L104 PolarHBondContact O-N 3.05Å; D100-L104 VanDerWaalsContact O-N 3.15Å
105S56.5Low52.3Low96 Ų96120.5 Ų120.567%0.67165%0.65SS**THydrogen-bonded Turntrans-93.5-3.3-179.8-56.60000113.5S101 Q103S101-S105 PolarHBondContact O-OG 3Å; Q103-S105 PolarHBondContact O-N 2.76Å
106L54.8Low52.2Low161 Ų161123.6 Ų123.684%0.84366%0.659SS**  trans-108.98.3-174.9-128.283.6000114.9Q103Q103-L106 PolarHBondContact O-N 3.03Å
107E47.4Very low52.2Low246 Ų246121.7 Ų121.7100%1.1566%0.658SS**  trans-108.20168.6-162.7164.5121.500110.3

Retrieved 107 of 107 residues in 114.1 ms (Link to these results)