G4VAP6_SCHMA Loading...

4.1m domain-containing protein

AlphaFold DB , UniProt , Accession G4VAP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 103 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
1M48.8Very low73Confident216 Ų216154.5 Ų154.5100%1.06476%0.762SS**  089.50-83-104.8176.500102.7D3M1-D3 PolarHBondContact O-N 3.49Å
2D66.3Low74Confident140 Ų140157.4 Ų157.475%0.74977%0.767SS**  trans-97.292.7-159.6-45.3-13.4000102.9N4D2-N4 PolarHBondContact O-N 2.96Å; D2-N4 PolarHBondContact O-ND2 3.43Å
3D71.6Confident74.9Confident144 Ų144156.2 Ų156.277%0.7776%0.759SS**  trans-62.690.8-176.1-68.9-25.4000107.9M1 F5M1-D3 PolarHBondContact O-N 3.49Å; D3-F5 PolarHBondContact O-N 2.9Å
4N75.3Confident75.7Confident147 Ų147156.3 Ų156.379%0.78675%0.749SS**  trans-69.270.7170.4-77.7-82.8000107.1D2 I6D2-N4 PolarHBondContact O-N 2.96Å; D2-N4 PolarHBondContact O-ND2 3.43Å; N4-I6 PolarHBondContact O-N 3.28Å; N4-I6 VanDerWaalsContact O-N 3.08Å
5F75.2Confident76.3Confident159 Ų159149.3 Ų149.370%0.69773%0.728SS**  trans-71.2107.6172.896.1-82.8000106.5D3 K7D3-F5 PolarHBondContact O-N 2.9Å; F5-K7 HydrophobicContact CD2-CB 4.16Å; F5-K7 HydrophobicContact CE2-CB 3.46Å; F5-K7 VanDerWaalsContact CE2-CB 3.46Å; F5-K7 HydrophobicContact CE2-CD 4.08Å; F5-K7 HydrophobicContact CE2-CG 3.85Å; F5-K7 HydrophobicContact CZ-CB 4.07Å; F5-K7 HydrophobicContact CZ-CD 4.33Å; F5-K7 PolarHBondContact O-N 2.71Å; F5-K7 VanDerWaalsContact O-N 3.07Å
6I77.2Confident77.1Confident143 Ų143143.9 Ų143.973%0.73371%0.709SS**  trans-71.9104.6168.7-62.5173.7000105.3N4 L8N4-I6 PolarHBondContact O-N 3.28Å; N4-I6 VanDerWaalsContact O-N 3.08Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 WeakPolarHBondContact O-CD1 3.01Å; I6-L8 PolarHBondContact O-N 2.78Å
7K76.1Confident77.7Confident158 Ų158138.8 Ų138.869%0.68770%0.696SS**  trans-67.296.4170.6-164.4171.1-176.4174.70107.8F5 M9F5-K7 HydrophobicContact CD2-CB 4.16Å; F5-K7 HydrophobicContact CE2-CB 3.46Å; F5-K7 VanDerWaalsContact CE2-CB 3.46Å; F5-K7 HydrophobicContact CE2-CD 4.08Å; F5-K7 HydrophobicContact CE2-CG 3.85Å; F5-K7 HydrophobicContact CZ-CB 4.07Å; F5-K7 HydrophobicContact CZ-CD 4.33Å; F5-K7 PolarHBondContact O-N 2.71Å; F5-K7 VanDerWaalsContact O-N 3.07Å; K7-M9 VanDerWaalsContact C-N 3.31Å; K7-M9 PolarHBondContact O-N 3.39Å
8L76.6Confident78.1Confident155 Ų155139.3 Ų139.381%0.81269%0.689SS**  trans-64.996.6169.4-71.1100.1000107.6I6I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 WeakPolarHBondContact O-CD1 3.01Å; I6-L8 PolarHBondContact O-N 2.78Å
9M77Confident78.4Confident159 Ų159135.6 Ų135.678%0.78368%0.678SS**PPolyproline II helixtrans-68.8131167.8-74.3-175.886.800107.8K7K7-M9 VanDerWaalsContact C-N 3.31Å; K7-M9 PolarHBondContact O-N 3.39Å
10P78.2Confident78.8Confident93 Ų93132.4 Ų132.460%0.60467%0.666SS**PPolyproline II helixtrans-59.1143.9173.825.3-32.6000108.9
11R81.1Confident79Confident185 Ų185132 Ų13270%0.69866%0.658SS**PPolyproline II helixtrans-59.3147172.1-59.2-158.5-162.7-109.98108.9E13 Y14 A15R11-E13 PolarHBondContact O-N 3.06Å; R11-Y14 HydrophobicContact CB-CD2 4Å; R11-Y14 HydrophobicContact CB-CE2 4.49Å; R11-Y14 PolarHBondContact O-N 3.48Å; R11-A15 PolarHBondContact O-N 3.47Å
12K84.9Confident80.5Confident190 Ų190125.4 Ų125.483%0.82663%0.625SS**Hα-helixtrans-51.5-34.7-178.1-62.1-179-179.3178.80112.5Y14 A15 S16K12-Y14 PolarHBondContact O-N 2.9Å; K12-A15 PolarHBondContact O-N 2.85Å; K12-S16 PolarHBondContact O-N 3.21Å; K12-S16 PolarHBondContact O-OG 3.35Å
13E85.9Confident81.1Confident141 Ų141122.8 Ų122.866%0.65962%0.618SS**Hα-helixtrans-59.4-42.6176.4-65.8161.8-165.400113.2R11 S16 A17R11-E13 PolarHBondContact O-N 3.06Å; E13-S16 WeakPolarHBondContact CA-OG 3.28Å; E13-S16 PolarHBondContact O-N 3.39Å; E13-S16 PolarHBondContact O-OG 2.76Å; E13-A17 VanDerWaalsContact O-CB 3.32Å; E13-A17 WeakPolarHBondContact O-CB 3.45Å; E13-A17 PolarHBondContact O-N 2.81Å
14Y86.2Confident81.3Confident158 Ų158122.5 Ų122.562%0.6261%0.612SS**Hα-helixtrans-69.4-39177.4-72.6-77.7000111.5R11 K12 S16 A17 Y18R11-Y14 HydrophobicContact CB-CD2 4Å; R11-Y14 HydrophobicContact CB-CE2 4.49Å; R11-Y14 PolarHBondContact O-N 3.48Å; K12-Y14 PolarHBondContact O-N 2.9Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.39Å; Y14-A17 PolarHBondContact O-N 2.95Å; Y14-Y18 VanDerWaalsContact O-CB 3.26Å; Y14-Y18 WeakPolarHBondContact O-CB 3.26Å; Y14-Y18 PolarHBondContact O-N 2.78Å
15A84.7Confident80.9Confident52 Ų52120 Ų12043%0.4360%0.598SS.*Hα-helixtrans-61.6-43176.200000111.1R11 K12 S19R11-A15 PolarHBondContact O-N 3.47Å; K12-A15 PolarHBondContact O-N 2.85Å; A15-S19 PolarHBondContact O-N 3.3Å; A15-S19 PolarHBondContact O-OG 3.48Å
16S88.6Confident80.5Confident62 Ų62116.8 Ų116.843%0.43460%0.596SS.*Hα-helixtrans-70.8-38.6176.753.80000113.3K12 E13 Y14 S19 T20K12-S16 PolarHBondContact O-N 3.21Å; K12-S16 PolarHBondContact O-OG 3.35Å; E13-S16 WeakPolarHBondContact CA-OG 3.28Å; E13-S16 PolarHBondContact O-N 3.39Å; E13-S16 PolarHBondContact O-OG 2.76Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.39Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-OG 2.9Å; S16-T20 WeakPolarHBondContact O-CB 3.45Å; S16-T20 PolarHBondContact O-N 3Å; S16-T20 PolarHBondContact O-OG1 3.38Å
17A87.1Confident80Confident58 Ų58112.9 Ų112.948%0.47959%0.591SS.*Hα-helixtrans-66.1-41.3177.100000111.1E13 Y14 T20 Y21E13-A17 VanDerWaalsContact O-CB 3.32Å; E13-A17 WeakPolarHBondContact O-CB 3.45Å; E13-A17 PolarHBondContact O-N 2.81Å; Y14-A17 PolarHBondContact O-N 2.95Å; A17-T20 PolarHBondContact O-N 3.49Å; A17-Y21 WeakPolarHBondContact O-CB 3.4Å; A17-Y21 PolarHBondContact O-N 3.07Å
18Y84.9Confident79.9Confident148 Ų148110 Ų11058%0.5860%0.596SS**Hα-helixtrans-64.2-44.2175.7-178.2-96.7000112.2Y14 T20 Y21 M22Y14-Y18 VanDerWaalsContact O-CB 3.26Å; Y14-Y18 WeakPolarHBondContact O-CB 3.26Å; Y14-Y18 PolarHBondContact O-N 2.78Å; Y18-T20 VanDerWaalsContact C-N 3.29Å; Y18-T20 PolarHBondContact O-N 2.91Å; Y18-Y21 PolarHBondContact O-N 3.47Å; Y18-M22 HydrophobicContact CD1-CG 4.09Å; Y18-M22 HydrophobicContact CD2-CE 4.37Å; Y18-M22 HydrophobicContact CE1-CE 4.48Å; Y18-M22 HydrophobicContact CE1-CG 3.71Å; Y18-M22 HydrophobicContact CE2-CE 3.52Å; Y18-M22 HydrophobicContact CE2-CG 4.21Å; Y18-M22 HydrophobicContact CG-CG 4.49Å; Y18-M22 WeakPolarHBondContact O-CB 3.48Å; Y18-M22 VanDerWaalsContact O-CG 3.24Å; Y18-M22 WeakPolarHBondContact O-CG 3.38Å; Y18-M22 PolarHBondContact O-N 3.5Å; Y18-M22 WeakPolarHBondContact OH-CE 3.32Å
19S85Confident80.1Confident68 Ų68105.1 Ų105.148%0.47658%0.584SS.*Hα-helixtrans-64.4-36.7176.666.30000111.9A15 S16 S23A15-S19 PolarHBondContact O-N 3.3Å; A15-S19 PolarHBondContact O-OG 3.48Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-OG 2.9Å; S19-S23 VanDerWaalsContact O-CB 3.27Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-N 2.85Å
20T85Confident80.4Confident71 Ų71103.1 Ų103.144%0.43658%0.576SS.*Hα-helixtrans-66.5-48.4176.1-52.70000110.9S16 A17 Y18 M22 S23 E24S16-T20 WeakPolarHBondContact O-CB 3.45Å; S16-T20 PolarHBondContact O-N 3Å; S16-T20 PolarHBondContact O-OG1 3.38Å; A17-T20 PolarHBondContact O-N 3.49Å; Y18-T20 VanDerWaalsContact C-N 3.29Å; Y18-T20 PolarHBondContact O-N 2.91Å; T20-M22 VanDerWaalsContact C-N 3.34Å; T20-M22 PolarHBondContact O-N 3.36Å; T20-S23 CarbonylContact O-C 3.58Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 2.9Å; T20-S23 VanDerWaalsContact O-N 3.08Å; T20-E24 HydrophobicContact CG2-CG 4.41Å; T20-E24 WeakPolarHBondContact O-CG 3.28Å; T20-E24 PolarHBondContact O-N 3.14Å
21Y82.5Confident80.8Confident126 Ų126101.8 Ų101.849%0.49457%0.569SS.*Hα-helixtrans-57.7-44.6175.3178.3-97.7000112.3A17 Y18 S23 E24 N25A17-Y21 WeakPolarHBondContact O-CB 3.4Å; A17-Y21 PolarHBondContact O-N 3.07Å; Y18-Y21 PolarHBondContact O-N 3.47Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.36Å; Y21-E24 PolarHBondContact O-N 3.31Å; Y21-N25 WeakPolarHBondContact O-CB 2.9Å; Y21-N25 PolarHBondContact O-N 3.03Å; Y21-N25 PolarHBondContact O-OD1 3.11Å; Y21-N25 PolarHBondContact OH-ND2 2.95Å
22M81.3Confident81.1Confident76 Ų7698 Ų9837%0.37457%0.571SS.*Hα-helixtrans-64.6-37.5176-71.2-72.1144.500111.6Y18 T20 S26Y18-M22 HydrophobicContact CD1-CG 4.09Å; Y18-M22 HydrophobicContact CD2-CE 4.37Å; Y18-M22 HydrophobicContact CE1-CE 4.48Å; Y18-M22 HydrophobicContact CE1-CG 3.71Å; Y18-M22 HydrophobicContact CE2-CE 3.52Å; Y18-M22 HydrophobicContact CE2-CG 4.21Å; Y18-M22 HydrophobicContact CG-CG 4.49Å; Y18-M22 WeakPolarHBondContact O-CB 3.48Å; Y18-M22 VanDerWaalsContact O-CG 3.24Å; Y18-M22 WeakPolarHBondContact O-CG 3.38Å; Y18-M22 PolarHBondContact O-N 3.5Å; Y18-M22 WeakPolarHBondContact OH-CE 3.32Å; T20-M22 VanDerWaalsContact C-N 3.34Å; T20-M22 PolarHBondContact O-N 3.36Å; M22-S26 VanDerWaalsContact O-CB 3.26Å; M22-S26 WeakPolarHBondContact O-CB 3.44Å; M22-S26 PolarHBondContact O-N 3.04Å; M22-S26 PolarHBondContact O-OG 3.32Å
23S78.8Confident81.2Confident85 Ų8593.3 Ų93.359%0.59456%0.561SS**Hα-helixtrans-70.1-42.7177-170.40000112.7S19 T20 Y21 S26 G27S19-S23 VanDerWaalsContact O-CB 3.27Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-N 2.85Å; T20-S23 CarbonylContact O-C 3.58Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 2.9Å; T20-S23 VanDerWaalsContact O-N 3.08Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.36Å; S23-S26 PolarHBondContact O-N 2.99Å; S23-G27 PolarHBondContact O-N 3.35Å
24E75Confident81.6Confident139 Ų13988.2 Ų88.265%0.6554%0.544SS*.Hα-helixtrans-61.5-46.3177.1-77.2-178.8173.700110.8T20 Y21 S26 G27T20-E24 HydrophobicContact CG2-CG 4.41Å; T20-E24 WeakPolarHBondContact O-CG 3.28Å; T20-E24 PolarHBondContact O-N 3.14Å; Y21-E24 PolarHBondContact O-N 3.31Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-S26 PolarHBondContact O-N 3.12Å; E24-G27 PolarHBondContact O-N 3.3Å
25N68.3Low81.9Confident93 Ų9385 Ų8550%0.49754%0.536SS..Hα-helixtrans-71.8-27.2178.7-72.734.1000113.1Y21 G27Y21-N25 WeakPolarHBondContact O-CB 2.9Å; Y21-N25 PolarHBondContact O-N 3.03Å; Y21-N25 PolarHBondContact O-OD1 3.11Å; Y21-N25 PolarHBondContact OH-ND2 2.95Å; N25-G27 PolarHBondContact O-N 2.77Å
26S66.3Low82.4Confident93 Ų9384.8 Ų84.865%0.6554%0.535SS*.Hα-helixtrans-71.3-17.6176.2-63.10000113.1M22 S23 E24M22-S26 VanDerWaalsContact O-CB 3.26Å; M22-S26 WeakPolarHBondContact O-CB 3.44Å; M22-S26 PolarHBondContact O-N 3.04Å; M22-S26 PolarHBondContact O-OG 3.32Å; S23-S26 PolarHBondContact O-N 2.99Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-S26 PolarHBondContact O-N 3.12Å
27G65.8Low82.8Confident60 Ų6083.9 Ų83.962%0.61954%0.535SS*.THydrogen-bonded Turntrans-79.6-11.4-176.500000115.7S23 E24 N25 G29S23-G27 PolarHBondContact O-N 3.35Å; E24-G27 PolarHBondContact O-N 3.3Å; N25-G27 PolarHBondContact O-N 2.77Å; G27-G29 VanDerWaalsContact C-N 3.29Å; G27-G29 PolarHBondContact O-N 3.47Å
28A74.4Confident83.2Confident97 Ų9785.7 Ų85.780%0.80254%0.535SS*.THydrogen-bonded Turntrans-76.3-17.6-178.700000113.5
29G80.2Confident83.8Confident54 Ų5482.4 Ų82.456%0.55753%0.531SS*.SBendtrans-83.2148.417500000112G27 S31G27-G29 VanDerWaalsContact C-N 3.29Å; G27-G29 PolarHBondContact O-N 3.47Å; G29-S31 PolarHBondContact O-N 2.79Å
30L83.4Confident84.4Confident117 Ų11783.7 Ų83.761%0.61353%0.531SS*.PPolyproline II helixtrans-53.8139.4165.1-66.7173.6000109.4A34 I35 I38L30-A34 HydrophobicContact CB-CB 4.23Å; L30-I35 HydrophobicContact CB-CD1 4.36Å; L30-I35 HydrophobicContact CB-CG1 3.93Å; L30-I38 HydrophobicContact CD1-CD1 4.16Å
31S87.6Confident85Confident65 Ų6582.4 Ų82.446%0.45553%0.532SS..PPolyproline II helixtrans-56.5148.7174.466.50000110.3G29 S33 A34 I35G29-S31 PolarHBondContact O-N 2.79Å; S31-S33 PolarHBondContact O-N 3.37Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-OG 3.41Å; S31-A34 WeakPolarHBondContact O-CB 3.19Å; S31-A34 PolarHBondContact O-N 2.82Å; S31-A34 WeakPolarHBondContact OG-CB 3.21Å; S31-A34 PolarHBondContact OG-N 2.86Å; S31-I35 PolarHBondContact O-N 3.13Å; S31-I35 VanDerWaalsContact O-N 3.12Å
32S86.2Confident85.7Confident106 Ų10680.2 Ų80.274%0.74153%0.531SS*.Hα-helixtrans-54.4-32.5176.9-47.20000112.2A36S32-A36 WeakPolarHBondContact O-CB 3.48Å; S32-A36 PolarHBondContact O-N 3.45Å
33S87.1Confident86.4Confident90 Ų9080.9 Ų80.963%0.62954%0.535SS*.Hα-helixtrans-67-38.9174.453.10000113.3S31 G37S31-S33 PolarHBondContact O-N 3.37Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-OG 3.41Å; S33-G37 PolarHBondContact O-N 3.18Å
34A94.4Very high87.3Confident35 Ų3583.1 Ų83.129%0.28954%0.535SS..Hα-helixtrans-65.8-44.2176.200000110.9L30 S31 G37 I38L30-A34 HydrophobicContact CB-CB 4.23Å; S31-A34 WeakPolarHBondContact O-CB 3.19Å; S31-A34 PolarHBondContact O-N 2.82Å; S31-A34 WeakPolarHBondContact OG-CB 3.21Å; S31-A34 PolarHBondContact OG-N 2.86Å; A34-G37 PolarHBondContact O-N 2.85Å; A34-I38 VanDerWaalsContact O-CG1 3.27Å; A34-I38 WeakPolarHBondContact O-CG1 3.23Å; A34-I38 PolarHBondContact O-N 2.82Å
35I93.8Very high88.4Confident90 Ų9077.9 Ų77.946%0.46252%0.518SS..Hα-helixtrans-61-48.7176.7-61.3166.3000110.3L30 S31 G37 I38 V39L30-I35 HydrophobicContact CB-CD1 4.36Å; L30-I35 HydrophobicContact CB-CG1 3.93Å; S31-I35 PolarHBondContact O-N 3.13Å; S31-I35 VanDerWaalsContact O-N 3.12Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.41Å; I35-I38 PolarHBondContact O-N 3.43Å; I35-V39 HydrophobicContact CG2-CG2 4.47Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 3.48Å
36A94.9Very high89.8Confident48 Ų4877.9 Ų77.940%0.39752%0.517SS..Hα-helixtrans-59.1-42.7177.900000112S32 V39 I40S32-A36 WeakPolarHBondContact O-CB 3.48Å; S32-A36 PolarHBondContact O-N 3.45Å; A36-V39 PolarHBondContact O-N 3.28Å; A36-I40 WeakPolarHBondContact O-CD1 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.14Å; A36-I40 PolarHBondContact O-N 2.78Å
37G96.6Very high91.2Very high42 Ų4277.5 Ų77.543%0.43351%0.507SS..Hα-helixtrans-61.2-43.6176.700000113S33 A34 I35 G41S33-G37 PolarHBondContact O-N 3.18Å; A34-G37 PolarHBondContact O-N 2.85Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.41Å; G37-G41 PolarHBondContact O-N 3.22Å
38I96.5Very high92.7Very high96 Ų9680 Ų8049%0.49251%0.505SS..Hα-helixtrans-63.1-47.7176.9-65.8162000110.4L30 A34 I35 I40 G41 V42L30-I38 HydrophobicContact CD1-CD1 4.16Å; A34-I38 VanDerWaalsContact O-CG1 3.27Å; A34-I38 WeakPolarHBondContact O-CG1 3.23Å; A34-I38 PolarHBondContact O-N 2.82Å; I35-I38 PolarHBondContact O-N 3.43Å; I38-I40 PolarHBondContact O-N 2.81Å; I38-G41 PolarHBondContact O-N 2.85Å; I38-V42 HydrophobicContact CG2-CG2 4.25Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.29Å; I38-V42 PolarHBondContact O-N 3.38Å
39V97.1Very high93.8Very high80 Ų8081.2 Ų81.249%0.48550%0.497SS..Hα-helixtrans-60-47.8-178.7173.40000110.9I35 A36 V42 I43I35-V39 HydrophobicContact CG2-CG2 4.47Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 3.48Å; A36-V39 PolarHBondContact O-N 3.28Å; V39-V42 PolarHBondContact O-N 3.38Å; V39-I43 HydrophobicContact CG1-CD1 3.96Å; V39-I43 VanDerWaalsContact O-CG1 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.41Å; V39-I43 PolarHBondContact O-N 2.81Å; V39-I43 VanDerWaalsContact O-N 3.11Å
40I97.2Very high94.6Very high95 Ų9583.3 Ų83.349%0.48749%0.494SS..Hα-helixtrans-62.6-47177.6-65.8166.6000110A36 I38 V42 I43 F44A36-I40 WeakPolarHBondContact O-CD1 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.14Å; A36-I40 PolarHBondContact O-N 2.78Å; I38-I40 PolarHBondContact O-N 2.81Å; I40-V42 VanDerWaalsContact C-N 3.33Å; I40-V42 PolarHBondContact O-N 3.15Å; I40-I43 PolarHBondContact O-N 2.88Å; I40-F44 HydrophobicContact CG2-CD2 3.61Å; I40-F44 HydrophobicContact CG2-CE2 3.73Å; I40-F44 WeakPolarHBondContact O-CD2 3.25Å; I40-F44 PolarHBondContact O-N 2.88Å
41G96.8Very high95.2Very high43 Ų4382.5 Ų82.544%0.44349%0.49SS..Hα-helixtrans-58.2-41.7179.300000113.3G37 I38 G45G37-G41 PolarHBondContact O-N 3.22Å; I38-G41 PolarHBondContact O-N 2.85Å; G41-G45 PolarHBondContact O-N 2.91Å
42V97.7Very high95.6Very high80 Ų8084.2 Ų84.249%0.48549%0.494SS..Hα-helixtrans-66.3-44.7177172.10000111.2I38 V39 I40 G45 I46I38-V42 HydrophobicContact CG2-CG2 4.25Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.29Å; I38-V42 PolarHBondContact O-N 3.38Å; V39-V42 PolarHBondContact O-N 3.38Å; I40-V42 VanDerWaalsContact C-N 3.33Å; I40-V42 PolarHBondContact O-N 3.15Å; V42-G45 PolarHBondContact O-N 2.95Å; V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.36Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.19Å; V42-I46 PolarHBondContact O-N 3.38Å
43I97.5Very high96Very high90 Ų9081.1 Ų81.146%0.46248%0.479SS..Hα-helixtrans-59.6-51178.4-67.3165.8000110.4V39 I40 G45 I46 I47V39-I43 HydrophobicContact CG1-CD1 3.96Å; V39-I43 VanDerWaalsContact O-CG1 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.41Å; V39-I43 PolarHBondContact O-N 2.81Å; V39-I43 VanDerWaalsContact O-N 3.11Å; I40-I43 PolarHBondContact O-N 2.88Å; I43-G45 PolarHBondContact O-N 3.24Å; I43-I46 PolarHBondContact O-N 2.98Å; I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.29Å; I43-I47 PolarHBondContact O-N 3.35Å; I43-I47 VanDerWaalsContact O-N 3.09Å
44F97.3Very high96.3Very high132 Ų13280.7 Ų80.758%0.57947%0.468SS*.Hα-helixtrans-65.5-38178.5-83.9-83.9000112.4I40 I47 L48I40-F44 HydrophobicContact CG2-CD2 3.61Å; I40-F44 HydrophobicContact CG2-CE2 3.73Å; I40-F44 WeakPolarHBondContact O-CD2 3.25Å; I40-F44 PolarHBondContact O-N 2.88Å; F44-I47 PolarHBondContact O-N 3.49Å; F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 WeakPolarHBondContact O-CG 3.3Å; F44-L48 PolarHBondContact O-N 2.9Å
45G97.1Very high96.3Very high29 Ų2985.4 Ų85.430%0.29948%0.483SS..Hα-helixtrans-61.2-46.1176.400000112.3G41 V42 I43 L48 I49G41-G45 PolarHBondContact O-N 2.91Å; V42-G45 PolarHBondContact O-N 2.95Å; I43-G45 PolarHBondContact O-N 3.24Å; G45-L48 PolarHBondContact O-N 3.41Å; G45-I49 VanDerWaalsContact O-CG1 3.24Å; G45-I49 WeakPolarHBondContact O-CG1 3.33Å; G45-I49 PolarHBondContact O-N 3.43Å
46I97.4Very high96.3Very high93 Ų9385.7 Ų85.748%0.47748%0.484SS..Hα-helixtrans-63.4-46.5177-67.4167.6000110.7V42 I43 L48 I49 I50V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.36Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.19Å; V42-I46 PolarHBondContact O-N 3.38Å; I43-I46 PolarHBondContact O-N 2.98Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.42Å; I46-I49 PolarHBondContact O-N 2.92Å; I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.48Å; I46-I50 WeakPolarHBondContact O-CG1 3.45Å; I46-I50 PolarHBondContact O-N 2.82Å
47I97.5Very high96.1Very high85 Ų8590.3 Ų90.344%0.43649%0.492SS..Hα-helixtrans-59.3-45.2178.3-68.4167.6000110.5I43 F44 I50 L51I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.29Å; I43-I47 PolarHBondContact O-N 3.35Å; I43-I47 VanDerWaalsContact O-N 3.09Å; F44-I47 PolarHBondContact O-N 3.49Å; I47-I50 PolarHBondContact O-N 3.48Å; I47-L51 HydrophobicContact CG2-CD1 3.94Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 WeakPolarHBondContact O-CG 3.35Å; I47-L51 PolarHBondContact O-N 2.99Å
48L97.2Very high95.7Very high113 Ų11395.7 Ų95.759%0.59250%0.501SS*.Hα-helixtrans-63.4-40.9177.4-80.8-178.4000112.6F44 G45 I46 I50 L51 L52F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 WeakPolarHBondContact O-CG 3.3Å; F44-L48 PolarHBondContact O-N 2.9Å; G45-L48 PolarHBondContact O-N 3.41Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.42Å; L48-I50 VanDerWaalsContact C-N 3.35Å; L48-L51 PolarHBondContact O-N 3.41Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 PolarHBondContact O-N 3.25Å
49I96.9Very high95Very high123 Ų12392.7 Ų92.763%0.63149%0.488SS*.Hα-helixtrans-63.2-43.1177.2-70.6166.2000110.8G45 I46 L52 G53G45-I49 VanDerWaalsContact O-CG1 3.24Å; G45-I49 WeakPolarHBondContact O-CG1 3.33Å; G45-I49 PolarHBondContact O-N 3.43Å; I46-I49 PolarHBondContact O-N 2.92Å; I49-L52 PolarHBondContact O-N 2.88Å; I49-G53 PolarHBondContact O-N 3.22Å
50I96.6Very high94.3Very high97 Ų9798.3 Ų98.350%0.49750%0.5SS..Hα-helixtrans-63.8-48.6177.1-66.9167.9000110.2I46 I47 L48 L52 G53 I54I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.48Å; I46-I50 WeakPolarHBondContact O-CG1 3.45Å; I46-I50 PolarHBondContact O-N 2.82Å; I47-I50 PolarHBondContact O-N 3.48Å; L48-I50 VanDerWaalsContact C-N 3.35Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.36Å; I50-G53 PolarHBondContact O-N 3.09Å; I50-I54 HydrophobicContact CG2-CD1 3.76Å; I50-I54 HydrophobicContact CG2-CG1 4.4Å; I50-I54 WeakPolarHBondContact O-CB 3.44Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.24Å; I50-I54 PolarHBondContact O-N 3.32Å
51L96.1Very high93.2Very high100 Ų10098.6 Ų98.652%0.52450%0.502SS..Hα-helixtrans-60.1-40.3177.5-73.7176.4000111.7I47 L48 I54 F55I47-L51 HydrophobicContact CG2-CD1 3.94Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 WeakPolarHBondContact O-CG 3.35Å; I47-L51 PolarHBondContact O-N 2.99Å; L48-L51 PolarHBondContact O-N 3.41Å; L51-I54 PolarHBondContact O-N 3.11Å; L51-F55 WeakPolarHBondContact O-CB 3.27Å; L51-F55 PolarHBondContact O-N 2.94Å
52L95.5Very high91.7Very high101 Ų101104.7 Ų104.753%0.52951%0.512SS..Hα-helixtrans-66.5-43.2176.6-174.666.3000111.4L48 I49 I50 F55 I56L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 PolarHBondContact O-N 3.25Å; I49-L52 PolarHBondContact O-N 2.88Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.36Å; L52-F55 PolarHBondContact O-N 3.25Å; L52-I56 HydrophobicContact CD1-CD1 4.25Å; L52-I56 HydrophobicContact CD1-CG1 4.45Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 WeakPolarHBondContact O-CB 3.29Å; L52-I56 VanDerWaalsContact O-CG1 3.23Å; L52-I56 WeakPolarHBondContact O-CG1 3.29Å; L52-I56 PolarHBondContact O-N 3.39Å
53G94.8Very high89.8Confident41 Ų41108.2 Ų108.242%0.42352%0.517SS..Hα-helixtrans-61.5-44.4175.900000112.2I49 I50 Y57I49-G53 PolarHBondContact O-N 3.22Å; I50-G53 PolarHBondContact O-N 3.09Å; G53-Y57 VanDerWaalsContact O-CB 3.3Å; G53-Y57 WeakPolarHBondContact O-CB 3.49Å; G53-Y57 PolarHBondContact O-N 2.88Å
54I94.5Very high87.7Confident81 Ų81108.2 Ų108.242%0.41553%0.526SS..Hα-helixtrans-62.9-47.2173.7-69.9173000110.3I50 L51 I56 Y57 Y58I50-I54 HydrophobicContact CG2-CD1 3.76Å; I50-I54 HydrophobicContact CG2-CG1 4.4Å; I50-I54 WeakPolarHBondContact O-CB 3.44Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.24Å; I50-I54 PolarHBondContact O-N 3.32Å; L51-I54 PolarHBondContact O-N 3.11Å; I54-I56 PolarHBondContact O-N 3.31Å; I54-Y57 WeakPolarHBondContact O-CB 3.33Å; I54-Y57 PolarHBondContact O-N 3.45Å; I54-Y57 VanDerWaalsContact O-N 3.15Å; I54-Y58 HydrophobicContact CG2-CD2 3.43Å; I54-Y58 VanDerWaalsContact CG2-CD2 3.43Å; I54-Y58 HydrophobicContact CG2-CE2 3.5Å; I54-Y58 VanDerWaalsContact O-CD2 3.29Å; I54-Y58 WeakPolarHBondContact O-CD2 3.29Å; I54-Y58 PolarHBondContact O-N 3.02Å
55F94.2Very high85.6Confident134 Ų134112.2 Ų112.259%0.58854%0.537SS*.Hα-helixtrans-59.5-45.7179.5-179.7-100.3000111.5L51 L52 Y58 C59L51-F55 WeakPolarHBondContact O-CB 3.27Å; L51-F55 PolarHBondContact O-N 2.94Å; L52-F55 PolarHBondContact O-N 3.25Å; F55-Y58 PolarHBondContact O-N 2.98Å; F55-C59 VanDerWaalsContact CZ-SG 3.57Å; F55-C59 WeakPolarHBondContact O-CB 3.26Å; F55-C59 PolarHBondContact O-N 3.2Å; F55-C59 PolarHBondContact O-SG 3.08Å
56I92.2Very high83.4Confident96 Ų96117.2 Ų117.249%0.49255%0.548SS..Hα-helixtrans-63.4-43.3174.9-68.5167.7000110.4L52 I54 C59 R60L52-I56 HydrophobicContact CD1-CD1 4.25Å; L52-I56 HydrophobicContact CD1-CG1 4.45Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 WeakPolarHBondContact O-CB 3.29Å; L52-I56 VanDerWaalsContact O-CG1 3.23Å; L52-I56 WeakPolarHBondContact O-CG1 3.29Å; L52-I56 PolarHBondContact O-N 3.39Å; I54-I56 PolarHBondContact O-N 3.31Å; I56-C59 PolarHBondContact O-N 3.43Å; I56-R60 VanDerWaalsContact O-CB 3.25Å; I56-R60 WeakPolarHBondContact O-CB 3.45Å; I56-R60 PolarHBondContact O-N 3.12Å
57Y91.1Very high81.2Confident146 Ų146118.9 Ų118.957%0.57355%0.553SS**Hα-helixtrans-60.6-48.9177.5177.3-99.2000111.9G53 I54 R60 L61G53-Y57 VanDerWaalsContact O-CB 3.3Å; G53-Y57 WeakPolarHBondContact O-CB 3.49Å; G53-Y57 PolarHBondContact O-N 2.88Å; I54-Y57 WeakPolarHBondContact O-CB 3.33Å; I54-Y57 PolarHBondContact O-N 3.45Å; I54-Y57 VanDerWaalsContact O-N 3.15Å; Y57-R60 PolarHBondContact O-N 3Å; Y57-L61 HydrophobicContact CE1-CD2 4.24Å; Y57-L61 VanDerWaalsContact O-CB 3.29Å; Y57-L61 WeakPolarHBondContact O-CB 3.41Å; Y57-L61 PolarHBondContact O-N 3.46Å
58Y87.9Confident79.1Confident154 Ų154119.5 Ų119.560%0.60457%0.565SS**Hα-helixtrans-65.6-41.2176.9-86.5-76.1000112.2I54 F55 L61 R62I54-Y58 HydrophobicContact CG2-CD2 3.43Å; I54-Y58 VanDerWaalsContact CG2-CD2 3.43Å; I54-Y58 HydrophobicContact CG2-CE2 3.5Å; I54-Y58 VanDerWaalsContact O-CD2 3.29Å; I54-Y58 WeakPolarHBondContact O-CD2 3.29Å; I54-Y58 PolarHBondContact O-N 3.02Å; F55-Y58 PolarHBondContact O-N 2.98Å; Y58-L61 PolarHBondContact O-N 3Å; Y58-R62 WeakPolarHBondContact O-CB 3.34Å; Y58-R62 PolarHBondContact O-N 3.38Å
59C82.6Confident77Confident33 Ų33117.3 Ų117.322%0.22356%0.563CS.*Hα-helixtrans-59.6-51174.1-75.70000110F55 I56 L61 R62 Y63F55-C59 VanDerWaalsContact CZ-SG 3.57Å; F55-C59 WeakPolarHBondContact O-CB 3.26Å; F55-C59 PolarHBondContact O-N 3.2Å; F55-C59 PolarHBondContact O-SG 3.08Å; I56-C59 PolarHBondContact O-N 3.43Å; C59-L61 PolarHBondContact O-N 2.9Å; C59-R62 CarbonylContact O-C 3.6Å; C59-R62 PolarHBondContact O-N 2.82Å; C59-Y63 VanDerWaalsContact C-CD2 3.42Å; C59-Y63 HydrophobicContact CB-CD2 4.12Å; C59-Y63 HydrophobicContact CB-CE2 3.83Å; C59-Y63 WeakPolarHBondContact O-CB 3.39Å; C59-Y63 WeakPolarHBondContact O-CD2 3.26Å; C59-Y63 PolarHBondContact O-N 3.46Å
60R82.2Confident74.7Confident199 Ų199120.5 Ų120.575%0.75157%0.569SS**Hα-helixtrans-61.8-41.8179.7-162.7175.9105.11726112.2I56 Y57 R62 Y63 S64I56-R60 VanDerWaalsContact O-CB 3.25Å; I56-R60 WeakPolarHBondContact O-CB 3.45Å; I56-R60 PolarHBondContact O-N 3.12Å; Y57-R60 PolarHBondContact O-N 3Å; R60-R62 VanDerWaalsContact C-N 3.34Å; R60-Y63 PolarHBondContact O-N 3.37Å; R60-S64 PolarHBondContact O-N 3.39Å
61L75.1Confident72.7Confident100 Ų100120.2 Ų120.252%0.52457%0.569SS.*Hα-helixtrans-65.7-38.4177-16865.6000111.5Y57 Y58 C59 S64Y57-L61 HydrophobicContact CE1-CD2 4.24Å; Y57-L61 VanDerWaalsContact O-CB 3.29Å; Y57-L61 WeakPolarHBondContact O-CB 3.41Å; Y57-L61 PolarHBondContact O-N 3.46Å; Y58-L61 PolarHBondContact O-N 3Å; C59-L61 PolarHBondContact O-N 2.9Å; L61-S64 WeakPolarHBondContact O-CB 3.48Å
62R64.3Low70.6Confident172 Ų172118 Ų11865%0.64956%0.559SS**Hα-helixtrans-75.6-33.6178.1-158.8-179.4-171-168.52.6112.6Y58 C59 R60 S64 R65 Y66Y58-R62 WeakPolarHBondContact O-CB 3.34Å; Y58-R62 PolarHBondContact O-N 3.38Å; C59-R62 CarbonylContact O-C 3.6Å; C59-R62 PolarHBondContact O-N 2.82Å; R60-R62 VanDerWaalsContact C-N 3.34Å; R62-S64 PolarHBondContact O-N 3.34Å; R62-R65 PolarHBondContact O-N 3.47Å; R62-Y66 HydrophobicContact CG-CE2 4.26Å
63Y57.5Low68.7Low153 Ų153120.6 Ų120.660%0.657%0.573SS**Hα-helixtrans-64.2-28175-78-60.8000112.4C59 R60 R65 Y66 Q67C59-Y63 VanDerWaalsContact C-CD2 3.42Å; C59-Y63 HydrophobicContact CB-CD2 4.12Å; C59-Y63 HydrophobicContact CB-CE2 3.83Å; C59-Y63 WeakPolarHBondContact O-CB 3.39Å; C59-Y63 WeakPolarHBondContact O-CD2 3.26Å; C59-Y63 PolarHBondContact O-N 3.46Å; R60-Y63 PolarHBondContact O-N 3.37Å; Y63-R65 PolarHBondContact O-N 3.31Å; Y63-R65 VanDerWaalsContact O-N 3.11Å; Y63-Y66 PolarHBondContact O-N 2.71Å; Y63-Q67 PolarHBondContact O-N 3.08Å
64S53.3Low66.9Low91 Ų91126.1 Ų126.164%0.63659%0.588SS**Hα-helixtrans-58.3-24.9171.9-159.70000112.9R60 L61 R62R60-S64 PolarHBondContact O-N 3.39Å; L61-S64 WeakPolarHBondContact O-CB 3.48Å; R62-S64 PolarHBondContact O-N 3.34Å
65R53.8Low64.9Low215 Ų215125.7 Ų125.781%0.81160%0.597SS**Hα-helixtrans-88.5-18.1173.6-65.6-150.2170.6-173.3-2.1114.7R62 Y63R62-R65 PolarHBondContact O-N 3.47Å; Y63-R65 PolarHBondContact O-N 3.31Å; Y63-R65 VanDerWaalsContact O-N 3.11Å
66Y50.6Low62.9Low134 Ų134125.7 Ų125.753%0.52560%0.602SS.*Hα-helixtrans-90.7-23177-79.5-78.3000113.3R62 Y63 S68 A69R62-Y66 HydrophobicContact CG-CE2 4.26Å; Y63-Y66 PolarHBondContact O-N 2.71Å; Y66-S68 PolarHBondContact O-N 2.8Å; Y66-A69 PolarHBondContact O-N 3.48Å; Y66-A69 VanDerWaalsContact O-N 3.12Å
67Q51.1Low60.9Low128 Ų128124.5 Ų124.560%0.59861%0.613SS**Hα-helixtrans-58.3-34169.1-154.679.446.100111Y63 A69 Y70 D71Y63-Q67 PolarHBondContact O-N 3.08Å; Q67-A69 PolarHBondContact O-N 2.9Å; Q67-A69 VanDerWaalsContact O-N 3.14Å; Q67-Y70 PolarHBondContact O-N 3.46Å; Q67-D71 PolarHBondContact O-N 3.4Å
68S53Low59Low98 Ų98123.8 Ų123.869%0.68562%0.62SS**Hα-helixtrans-65.4-11176.2172.80000115.3Y66Y66-S68 PolarHBondContact O-N 2.8Å
69A54.3Low57.2Low67 Ų67123 Ų12355%0.55463%0.626SS**Hα-helixtrans-97.8-16.317900000113.4Y66 Q67Y66-A69 PolarHBondContact O-N 3.48Å; Y66-A69 VanDerWaalsContact O-N 3.12Å; Q67-A69 PolarHBondContact O-N 2.9Å; Q67-A69 VanDerWaalsContact O-N 3.14Å
70Y47.9Very low55.9Low191 Ų191131.6 Ų131.675%0.74966%0.66SS**Hα-helixtrans-129.88.8-178.6-75.2-78.3000113.9Q67 T72Q67-Y70 PolarHBondContact O-N 3.46Å; Y70-T72 PolarHBondContact O-N 2.63Å
71D53.9Low54.7Low91 Ų91129.5 Ų129.549%0.48766%0.659SS.*  trans-66.575.2144.2-80.7-22.5000106.2Q67 D73Q67-D71 PolarHBondContact O-N 3.4Å; D71-D73 PolarHBondContact O-N 3.03Å
72T53.7Low54.1Low54 Ų54129.1 Ų129.133%0.33166%0.664SS.*  trans-53.1137.4164.637.90000106.6Y70 E74 A75Y70-T72 PolarHBondContact O-N 2.63Å; T72-E74 VanDerWaalsContact CB-OE1 3.26Å; T72-E74 WeakPolarHBondContact CB-OE1 3.27Å; T72-E74 PolarHBondContact O-N 3.07Å; T72-E74 VanDerWaalsContact OG1-CG 3.28Å; T72-E74 WeakPolarHBondContact OG1-CG 3.47Å; T72-E74 PolarHBondContact OG1-OE1 3.34Å; T72-A75 PolarHBondContact O-N 3.41Å
73D55Low53.8Low154 Ų154124.3 Ų124.382%0.82466%0.661SS**THydrogen-bonded Turntrans-51.3-13.7-178-35.3-33.7000113.4D71D71-D73 PolarHBondContact O-N 3.03Å
74E56.2Low53.9Low157 Ų157124 Ų12473%0.73467%0.665SS**THydrogen-bonded Turntrans-73.8-31.2171.969.2-162.2164.100114.6T72T72-E74 VanDerWaalsContact CB-OE1 3.26Å; T72-E74 WeakPolarHBondContact CB-OE1 3.27Å; T72-E74 PolarHBondContact O-N 3.07Å; T72-E74 VanDerWaalsContact OG1-CG 3.28Å; T72-E74 WeakPolarHBondContact OG1-CG 3.47Å; T72-E74 PolarHBondContact OG1-OE1 3.34Å
75A54Low54.3Low72 Ų72125.3 Ų125.360%0.59566%0.661SS**THydrogen-bonded Turntrans-78.4-29.6179.400000112.4T72 G77T72-A75 PolarHBondContact O-N 3.41Å; A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 2.88Å
76L52.4Low54.6Low135 Ų135117.7 Ų117.771%0.70764%0.644SS**THydrogen-bonded Turntrans-96.543.5178.7-154.374.8000111.4N78L76-N78 PolarHBondContact O-N 3.41Å
77G48.2Very low55.2Low70 Ų70117.1 Ų117.172%0.72265%0.649SS**  trans-6427.8-178.700000116.4A75A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 2.88Å
78N52.5Low55.9Low132 Ų132116.8 Ų116.871%0.70665%0.648SS**SBendtrans-164.392.7171.6-149.512.2000112.9L76L76-N78 PolarHBondContact O-N 3.41Å
79N49.2Very low56.5Low138 Ų138118.8 Ų118.874%0.73865%0.647SS**  trans159111.5131.2-88.9-79.9000111.8Q81N79-Q81 VanDerWaalsContact C-N 3.28Å; N79-Q81 PolarHBondContact O-N 3.34Å
80F55.4Low57Low212 Ų212122.8 Ų122.893%0.9365%0.651SS**THydrogen-bonded Turntrans-69.421.1-162.8-114.6-101.8000118
81Q57.3Low57.7Low156 Ų156121.6 Ų121.673%0.72965%0.647SS**THydrogen-bonded Turntrans-103.8-12.7-172-75-171.5-25.400116.1N79 H85N79-Q81 VanDerWaalsContact C-N 3.28Å; N79-Q81 PolarHBondContact O-N 3.34Å; Q81-H85 PolarHBondContact O-CD2 2.9Å
82S63.6Low58.1Low91 Ų91125 Ų12564%0.63666%0.659SS**Hα-helixtrans-80-29.8-172.1-160.60000114.1H85 A86S82-H85 PolarHBondContact O-N 3.41Å; S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.21Å
83A56.3Low58.5Low71 Ų71128 Ų12859%0.58767%0.674SS**Hα-helixtrans-67.3-42.8-176.300000113A86 L87A83-A86 PolarHBondContact O-N 2.94Å; A83-L87 WeakPolarHBondContact O-CG 3.38Å; A83-L87 PolarHBondContact O-N 2.99Å
84E59.8Low58.5Low147 Ų147125.7 Ų125.769%0.68766%0.658SS**Hα-helixtrans-66.4-39.2176-70-156.6145.500111.7L87 Q88E84-L87 PolarHBondContact O-N 3.48Å; E84-Q88 WeakPolarHBondContact O-CB 3.49Å; E84-Q88 WeakPolarHBondContact O-CG 3.41Å; E84-Q88 PolarHBondContact O-N 3.4Å
85H61.2Low58.9Low119 Ų119124.1 Ų124.155%0.55166%0.661SS**Hα-helixtrans-67.1-40.4176.6-85.1-50.8000112.9Q81 S82 L87 Q88 Q89Q81-H85 PolarHBondContact O-CD2 2.9Å; S82-H85 PolarHBondContact O-N 3.41Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-L87 PolarHBondContact O-N 3.48Å; H85-Q88 PolarHBondContact O-N 2.89Å; H85-Q89 WeakPolarHBondContact O-CB 3.42Å; H85-Q89 PolarHBondContact O-N 2.86Å
86A61.6Low59.1Low55 Ų55126.9 Ų126.946%0.45567%0.666SS.*Hα-helixtrans-64.3-38.817600000111.8S82 A83 Q89 K90S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.21Å; A83-A86 PolarHBondContact O-N 2.94Å; A86-Q89 PolarHBondContact O-N 3.43Å; A86-K90 WeakPolarHBondContact O-CB 3.32Å; A86-K90 PolarHBondContact O-N 3.06Å; A86-K90 VanDerWaalsContact O-N 3.07Å
87L62.6Low59.1Low121 Ų121123.8 Ų123.863%0.63465%0.652SS**Hα-helixtrans-66.2-45.9174-76.4172.5000111.8A83 E84 H85 Q89 K90 Y91A83-L87 WeakPolarHBondContact O-CG 3.38Å; A83-L87 PolarHBondContact O-N 2.99Å; E84-L87 PolarHBondContact O-N 3.48Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-L87 PolarHBondContact O-N 3.48Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.44Å; L87-K90 PolarHBondContact O-N 3.01Å; L87-Y91 WeakPolarHBondContact O-CB 3.24Å; L87-Y91 PolarHBondContact O-N 3.36Å
88Q65.6Low59.1Low121 Ų121127.5 Ų127.557%0.56565%0.649SS**Hα-helixtrans-59.4-41.2175.8-77.7-176.9-13.500112.1E84 H85 K90 Y91 H92E84-Q88 WeakPolarHBondContact O-CB 3.49Å; E84-Q88 WeakPolarHBondContact O-CG 3.41Å; E84-Q88 PolarHBondContact O-N 3.4Å; H85-Q88 PolarHBondContact O-N 2.89Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 3.28Å; Q88-Y91 PolarHBondContact O-N 3.49Å; Q88-H92 VanDerWaalsContact O-CB 3.28Å; Q88-H92 WeakPolarHBondContact O-CB 3.47Å; Q88-H92 PolarHBondContact O-N 3.06Å
89Q65.8Low59.4Low141 Ų141126.1 Ų126.166%0.65966%0.655SS**Hα-helixtrans-67.9-34.6179.4-141.5176.719.500112.1H85 A86 L87 N93H85-Q89 WeakPolarHBondContact O-CB 3.42Å; H85-Q89 PolarHBondContact O-N 2.86Å; A86-Q89 PolarHBondContact O-N 3.43Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.44Å; Q89-N93 PolarHBondContact O-N 2.9Å; Q89-N93 PolarHBondContact O-ND2 2.87Å
90K64.2Low59.6Low151 Ų151126.2 Ų126.266%0.65765%0.651SS**Hα-helixtrans-72-36.8174-158.5179.7-174.3-170.30112A86 L87 Q88 H94A86-K90 WeakPolarHBondContact O-CB 3.32Å; A86-K90 PolarHBondContact O-N 3.06Å; A86-K90 VanDerWaalsContact O-N 3.07Å; L87-K90 PolarHBondContact O-N 3.01Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 3.28Å; K90-H94 PolarHBondContact O-N 2.92Å
91Y62.4Low59.3Low165 Ų165123.9 Ų123.965%0.64765%0.647SS**Hα-helixtrans-71-40.2177.6-140.6-95.8000112L87 Q88 N93 V97L87-Y91 WeakPolarHBondContact O-CB 3.24Å; L87-Y91 PolarHBondContact O-N 3.36Å; Q88-Y91 PolarHBondContact O-N 3.49Å; Y91-N93 PolarHBondContact O-N 2.93Å; Y91-V97 HydrophobicContact CD1-CG1 4.32Å; Y91-V97 HydrophobicContact CD1-CG2 4.18Å; Y91-V97 HydrophobicContact CE1-CB 4.47Å; Y91-V97 HydrophobicContact CE1-CG1 3.69Å; Y91-V97 HydrophobicContact CE1-CG2 4Å
92H63.2Low58.6Low163 Ų163127.1 Ų127.176%0.75566%0.655SS**Hα-helixtrans-69-31.3-179.7-170.774.6000113.3Q88Q88-H92 VanDerWaalsContact O-CB 3.28Å; Q88-H92 WeakPolarHBondContact O-CB 3.47Å; Q88-H92 PolarHBondContact O-N 3.06Å
93N62.6Low58.1Low118 Ų118133.8 Ų133.863%0.63168%0.681SS**THydrogen-bonded Turntrans-984.3-178.4-69.3-62.5000114.1Q89 Y91 P95Q89-N93 PolarHBondContact O-N 2.9Å; Q89-N93 PolarHBondContact O-ND2 2.87Å; Y91-N93 PolarHBondContact O-N 2.93Å; N93-P95 WeakPolarHBondContact O-CD 3.26Å
94H54.9Low58.2Low105 Ų105137 Ų13749%0.48669%0.686SS.*  trans-84.6115176.8-136.8-85.4000109.5K90 D96 V97K90-H94 PolarHBondContact O-N 2.92Å; H94-D96 PolarHBondContact O-N 3.07Å; H94-V97 HydrophobicContact CB-CG2 4.27Å; H94-V97 PolarHBondContact O-N 3.08Å
95P63.4Low58.1Low124 Ų124136.4 Ų136.481%0.80569%0.686SS**THydrogen-bonded Turntrans-66.7-6.2-173.725.9-34.5000114.8N93N93-P95 WeakPolarHBondContact O-CD 3.26Å
96D58.1Low57.9Low130 Ų130137.4 Ų137.470%0.69569%0.693SS**THydrogen-bonded Turntrans-105.25.6-175.3-88.9-20.3000114.9H94 K98H94-D96 PolarHBondContact O-N 3.07Å; D96-K98 VanDerWaalsContact C-N 3.31Å; D96-K98 PolarHBondContact O-N 2.74Å
97V52.9Low57.7Low70 Ų70142.2 Ų142.242%0.42471%0.707SS.*  trans-80.486.7172.3-1730000108.9Y91 H94 A99Y91-V97 HydrophobicContact CD1-CG1 4.32Å; Y91-V97 HydrophobicContact CD1-CG2 4.18Å; Y91-V97 HydrophobicContact CE1-CB 4.47Å; Y91-V97 HydrophobicContact CE1-CG1 3.69Å; Y91-V97 HydrophobicContact CE1-CG2 4Å; H94-V97 HydrophobicContact CB-CG2 4.27Å; H94-V97 PolarHBondContact O-N 3.08Å; V97-A99 PolarHBondContact O-N 2.97Å
98K48.7Very low57.4Low148 Ų148143.6 Ų143.664%0.64371%0.712SS**  trans-59.7122.7169.3-56.2-168.6178.7-163.60109.1D96 E100D96-K98 VanDerWaalsContact C-N 3.31Å; D96-K98 PolarHBondContact O-N 2.74Å; K98-E100 HydrophobicContact CB-CG 3.87Å; K98-E100 HydrophobicContact CD-CG 4.5Å; K98-E100 WeakPolarHBondContact CD-OE1 3.46Å; K98-E100 IonicContact NZ-OE1 3.63Å; K98-E100 PolarHBondContact O-N 2.73Å
99A58.4Low56.9Low102 Ų102145.1 Ų145.184%0.84372%0.721SS**SBendtrans-70.518.3179.300000114.1V97 L101V97-A99 PolarHBondContact O-N 2.97Å; A99-L101 PolarHBondContact O-N 3.25Å
100E54.3Low56.2Low140 Ų140145.4 Ų145.465%0.65473%0.726SS**  trans-9315.4-174.163.7-167.1174.800114.3K98K98-E100 HydrophobicContact CB-CG 3.87Å; K98-E100 HydrophobicContact CD-CG 4.5Å; K98-E100 WeakPolarHBondContact CD-OE1 3.46Å; K98-E100 IonicContact NZ-OE1 3.63Å; K98-E100 PolarHBondContact O-N 2.73Å
101L49.2Very low55.6Low163 Ų163144.9 Ų144.985%0.85373%0.731SS**SBendtrans-124.140.4174.4-142.179.2000114.5A99A99-L101 PolarHBondContact O-N 3.25Å
102Y43Very low55Low224 Ų224143.3 Ų143.388%0.87874%0.738SS**  trans-134.594.8155.2-118.2-92.4000108.4
103I51.9Low54.3Low232 Ų232141.5 Ų141.5100%1.1974%0.737SS**  trans-98.50155.6-65.8168000105.8

Retrieved 103 of 103 residues in 171.6 ms (Link to these results)