A0A3Q0KHG9_SCHMA Loading...

Putative tbx2 protein

AlphaFold DB , UniProt , Accession A0A3Q0KHG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.5Very low64.3Low235 Ų23582.3 Ų82.3100%1.15850%0.5SS*.  016.30-76.7-157.3167.900114.5
2G55.3Low65Low58 Ų5884.5 Ų84.560%0.59851%0.507SS*.  trans-93.6-20.3-178.600000116.6
3C57Low65.4Low35 Ų3585.2 Ų85.224%0.23650%0.496CS..Hα-helixtrans-81.2-21.7-171.9-59.90000114.2L6 L7C3-L6 PolarHBondContact O-N 3.24Å; C3-L7 WeakPolarHBondContact O-CB 3.39Å; C3-L7 WeakPolarHBondContact O-CG 3.32Å; C3-L7 PolarHBondContact O-N 2.98Å
4S65.9Low65.7Low84 Ų8482.9 Ų82.959%0.58748%0.478SS*.Hα-helixtrans-65.5-40.2-177.547.40000112.3L7 L8S4-L7 PolarHBondContact O-N 3.48Å; S4-L8 WeakPolarHBondContact O-CB 3.49Å; S4-L8 PolarHBondContact O-N 3.24Å
5G67.3Low65.7Low40 Ų4079.5 Ų79.541%0.41247%0.468SS..Hα-helixtrans-63-44.517600000112.1L8 S9G5-L8 PolarHBondContact O-N 3.38Å; G5-S9 PolarHBondContact O-N 3.35Å; G5-S9 PolarHBondContact O-OG 3.28Å; G5-S9 VanDerWaalsContact O-OG 3.07Å
6L66.1Low65.6Low75 Ų7579.7 Ų79.739%0.39347%0.472SS..Hα-helixtrans-66.4-39.1177.5-64.9175.2000112.4C3 L8 S9 S10 L94 V97C3-L6 PolarHBondContact O-N 3.24Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-S9 PolarHBondContact O-N 3.32Å; L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 2.8Å; L6-L94 HydrophobicContact CB-CD1 3.55Å; L6-V97 HydrophobicContact CD1-CB 4.18Å; L6-V97 HydrophobicContact CD1-CG1 3.95Å; L6-V97 HydrophobicContact CD1-CG2 4.11Å
7L68.1Low65.6Low81 Ų8177.8 Ų77.842%0.42446%0.459SS..Hα-helixtrans-61.4-45.1173.6-78.7170000111C3 S4 S10 I11 L94C3-L7 WeakPolarHBondContact O-CB 3.39Å; C3-L7 WeakPolarHBondContact O-CG 3.32Å; C3-L7 PolarHBondContact O-N 2.98Å; S4-L7 PolarHBondContact O-N 3.48Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-OG 3.33Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.37Å; L7-L94 HydrophobicContact CD2-CD1 4.05Å; L7-L94 HydrophobicContact CD2-CD2 3.77Å; L7-L94 HydrophobicContact CD2-CG 4.41Å; L7-L94 HydrophobicContact CG-CD1 4.11Å
8L71.7Confident65.5Low104 Ų10477.8 Ų77.855%0.54546%0.459SS..Hα-helixtrans-62.8-46.7178-167.266.3000111.2S4 G5 L6 S10 I11 D12S4-L8 WeakPolarHBondContact O-CB 3.49Å; S4-L8 PolarHBondContact O-N 3.24Å; G5-L8 PolarHBondContact O-N 3.38Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.04Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-I11 VanDerWaalsContact O-N 3.07Å; L8-D12 PolarHBondContact O-N 3.14Å
9S70.4Confident65.3Low69 Ų6979.4 Ų79.448%0.48347%0.465SS..Hα-helixtrans-59.7-35.2174.7-57.60000112.8G5 L6 Y13G5-S9 PolarHBondContact O-N 3.35Å; G5-S9 PolarHBondContact O-OG 3.28Å; G5-S9 VanDerWaalsContact O-OG 3.07Å; L6-S9 PolarHBondContact O-N 3.32Å; S9-Y13 WeakPolarHBondContact O-CB 3.35Å; S9-Y13 PolarHBondContact O-N 3.35Å
10S66.3Low65.1Low18 Ų1878.2 Ų78.213%0.12646%0.461CS..Hα-helixtrans-68.1-40.5175.174.50000111.8L6 L7 L8 Y13 F14L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 2.8Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-OG 3.33Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.04Å; S10-Y13 PolarHBondContact O-N 3.22Å; S10-F14 WeakPolarHBondContact O-CB 3.5Å; S10-F14 VanDerWaalsContact O-CD2 3.25Å; S10-F14 WeakPolarHBondContact O-CD2 3.41Å; S10-F14 PolarHBondContact O-N 3.49Å
11I71.9Confident65.1Low106 Ų10682.9 Ų82.954%0.54447%0.471SS..Hα-helixtrans-66.1-41.1176.2-67.4166.8000110.2L7 L8 Y13 G15L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.37Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-I11 VanDerWaalsContact O-N 3.07Å; I11-Y13 VanDerWaalsContact C-N 3.33Å; I11-Y13 PolarHBondContact O-N 3.11Å; I11-G15 VanDerWaalsContact O-CA 3.31Å; I11-G15 WeakPolarHBondContact O-CA 3.5Å; I11-G15 PolarHBondContact O-N 2.99Å
12D72.9Confident65.8Low109 Ų10975.4 Ų75.458%0.58343%0.434SS*.Hα-helixtrans-66.6-33.2177-72.3-20.7000112.6L8 P16L8-D12 PolarHBondContact O-N 3.14Å; D12-P16 WeakPolarHBondContact O-CD 3.08Å; D12-P16 WeakPolarHBondContact O-CG 3.46Å
13Y69.9Low66.2Low93 Ų9379.9 Ų79.937%0.36544%0.437SS..Hα-helixtrans-76.1-48.4175.1-179.7-101.3000112.4S9 S10 I11 L17 L90S9-Y13 WeakPolarHBondContact O-CB 3.35Å; S9-Y13 PolarHBondContact O-N 3.35Å; S10-Y13 PolarHBondContact O-N 3.22Å; I11-Y13 VanDerWaalsContact C-N 3.33Å; I11-Y13 PolarHBondContact O-N 3.11Å; Y13-L17 HydrophobicContact CE1-CD2 4.33Å; Y13-L90 HydrophobicContact CD1-CD1 4.18Å; Y13-L90 HydrophobicContact CD2-CD1 4.43Å; Y13-L90 HydrophobicContact CG-CD1 4.07Å
14F69.9Low66.4Low54 Ų5484.7 Ų84.724%0.23746%0.461CS..Hα-helixtrans-76.7-31.4-177.4-81.8-74.2000113.4S10 L17 V18 L88 V91S10-F14 WeakPolarHBondContact O-CB 3.5Å; S10-F14 VanDerWaalsContact O-CD2 3.25Å; S10-F14 WeakPolarHBondContact O-CD2 3.41Å; S10-F14 PolarHBondContact O-N 3.49Å; F14-L17 HydrophobicContact CD1-CD2 4.48Å; F14-L17 PolarHBondContact O-N 3Å; F14-V18 HydrophobicContact CD1-CG2 4.48Å; F14-V18 WeakPolarHBondContact O-CB 3.48Å; F14-V18 WeakPolarHBondContact O-CG2 3.49Å; F14-V18 PolarHBondContact O-N 2.67Å; F14-L88 HydrophobicContact CE1-CD2 3.76Å; F14-L88 HydrophobicContact CZ-CD2 3.46Å; F14-L88 VanDerWaalsContact CZ-CD2 3.46Å; F14-V91 HydrophobicContact CE2-CG2 3.46Å; F14-V91 VanDerWaalsContact CE2-CG2 3.46Å; F14-V91 HydrophobicContact CZ-CG2 3.57Å
15G65.4Low66.2Low32 Ų3289 Ų8933%0.3347%0.469SS..Hα-helixtrans-51.6-60.4-176.500000111.3I11 L17 L19I11-G15 VanDerWaalsContact O-CA 3.31Å; I11-G15 WeakPolarHBondContact O-CA 3.5Å; I11-G15 PolarHBondContact O-N 2.99Å; G15-L17 PolarHBondContact O-N 3.25Å; G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.28Å
16P64.2Low66Low82 Ų8292.9 Ų92.953%0.53249%0.487SS..Hα-helixtrans-64.8-36.8177.2-20.833000113.6D12 L19 S20D12-P16 WeakPolarHBondContact O-CD 3.08Å; D12-P16 WeakPolarHBondContact O-CG 3.46Å; P16-L19 PolarHBondContact O-N 3.31Å; P16-S20 VanDerWaalsContact O-CB 3.25Å; P16-S20 WeakPolarHBondContact O-CB 3.25Å; P16-S20 PolarHBondContact O-N 2.95Å; P16-S20 PolarHBondContact O-OG 3.1Å
17L64.9Low65.6Low47 Ų4794 Ų9425%0.24650%0.499CS..Hα-helixtrans-66.6-41-178-170.870.8000112.1Y13 F14 G15 S20 R21Y13-L17 HydrophobicContact CE1-CD2 4.33Å; F14-L17 HydrophobicContact CD1-CD2 4.48Å; F14-L17 PolarHBondContact O-N 3Å; G15-L17 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-OG 3.12Å; L17-S20 VanDerWaalsContact O-OG 3.12Å; L17-R21 WeakPolarHBondContact O-CG 3.43Å; L17-R21 PolarHBondContact O-N 2.87Å
18V65.3Low65.7Low78 Ų7893.1 Ų93.147%0.47350%0.5SS..Hα-helixtrans-74.3-44.4175.9176.70000110F14 S20 R21 M22F14-V18 HydrophobicContact CD1-CG2 4.48Å; F14-V18 WeakPolarHBondContact O-CB 3.48Å; F14-V18 WeakPolarHBondContact O-CG2 3.49Å; F14-V18 PolarHBondContact O-N 2.67Å; V18-S20 PolarHBondContact O-N 2.82Å; V18-R21 PolarHBondContact O-N 3.46Å; V18-M22 HydrophobicContact CG1-CG 4.12Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.47Å; V18-M22 PolarHBondContact O-N 3.35Å
19L60.5Low65.8Low108 Ų10897.6 Ų97.657%0.56551%0.511SS*.Hα-helixtrans-58-49.7178.1-125.967.8000111.5G15 P16 R21 M22 F23G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.28Å; P16-L19 PolarHBondContact O-N 3.31Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 3.44Å; L19-M22 PolarHBondContact O-N 2.86Å; L19-F23 HydrophobicContact CB-CD2 4.4Å; L19-F23 HydrophobicContact CD1-CD2 4.26Å; L19-F23 HydrophobicContact CD1-CE2 3.84Å; L19-F23 HydrophobicContact CG-CD2 3.79Å; L19-F23 HydrophobicContact CG-CE2 3.87Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.41Å; L19-F23 PolarHBondContact O-N 3.03Å
20S62.4Low66.1Low55 Ų55101.5 Ų101.539%0.38552%0.521SS..Hα-helixtrans-62.6-35.5-177.656.30000113.1P16 L17 V18 N24P16-S20 VanDerWaalsContact O-CB 3.25Å; P16-S20 WeakPolarHBondContact O-CB 3.25Å; P16-S20 PolarHBondContact O-N 2.95Å; P16-S20 PolarHBondContact O-OG 3.1Å; L17-S20 PolarHBondContact O-OG 3.12Å; L17-S20 VanDerWaalsContact O-OG 3.12Å; V18-S20 PolarHBondContact O-N 2.82Å; S20-N24 VanDerWaalsContact O-CB 3.29Å; S20-N24 WeakPolarHBondContact O-CB 3.18Å; S20-N24 VanDerWaalsContact O-CG 3.22Å; S20-N24 PolarHBondContact O-ND2 3.06Å
21R64.5Low66.3Low177 Ų177104.9 Ų104.967%0.66854%0.538SS*.Hα-helixtrans-73.7-34.3176.4-73.7-176-179.6169.44.2113.1L17 V18 L19L17-R21 WeakPolarHBondContact O-CG 3.43Å; L17-R21 PolarHBondContact O-N 2.87Å; V18-R21 PolarHBondContact O-N 3.46Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 3.44Å
22M62Low66.2Low79 Ų79105 Ų10539%0.38954%0.536SS..Hα-helixtrans-83.1-29.9-176.1-61.1-63.2-84.600112.8V18 L19 Y35 F38V18-M22 HydrophobicContact CG1-CG 4.12Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.47Å; V18-M22 PolarHBondContact O-N 3.35Å; L19-M22 PolarHBondContact O-N 2.86Å; M22-Y35 HydrophobicContact CE-CD2 3.37Å; M22-Y35 HydrophobicContact CE-CE2 3.26Å; M22-F38 HydrophobicContact CE-CD1 4.19Å; M22-F38 HydrophobicContact CE-CE1 4.15Å
23F63.2Low66.3Low151 Ų151107.6 Ų107.666%0.66254%0.537SS*.Hα-helixtrans-1062.9-172.4-68.1-72.7000115.4L19 K25L19-F23 HydrophobicContact CB-CD2 4.4Å; L19-F23 HydrophobicContact CD1-CD2 4.26Å; L19-F23 HydrophobicContact CD1-CE2 3.84Å; L19-F23 HydrophobicContact CG-CD2 3.79Å; L19-F23 HydrophobicContact CG-CE2 3.87Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.41Å; L19-F23 PolarHBondContact O-N 3.03Å; F23-K25 PolarHBondContact O-N 3.49Å
24N61Low66.5Low137 Ų137106.6 Ų106.673%0.73354%0.544SS*.SBendtrans-75.2-1.3-176-104-7.4000115.7S20S20-N24 VanDerWaalsContact O-CB 3.29Å; S20-N24 WeakPolarHBondContact O-CB 3.18Å; S20-N24 VanDerWaalsContact O-CG 3.22Å; S20-N24 PolarHBondContact O-ND2 3.06Å
25K63.1Low66.5Low173 Ų173109.5 Ų109.575%0.75255%0.554SS**SBendtrans-139.1141.2174.1-75.8-177.1178.4175.40111.5F23F23-K25 PolarHBondContact O-N 3.49Å
26P61.4Low67Low122 Ų122114.4 Ų114.479%0.79256%0.562SS**PPolyproline II helixtrans-60.8126.2171.826.4-32.5000108.6S28P26-S28 PolarHBondContact O-N 2.79Å
27P58.6Low67.4Low100 Ų100111.8 Ų111.865%0.64954%0.544SS*.PPolyproline II helixtrans-69.5124.6-169.626-33.2000111D31P27-D31 HydrophobicContact CB-CB 4.45Å
28S70.8Confident67.8Low62 Ų62114 Ų11443%0.43455%0.552SS.*PPolyproline II helixtrans-66.2155.3160.8-179.10000109.5P26 E30 D31 H32P26-S28 PolarHBondContact O-N 2.79Å; S28-E30 PolarHBondContact O-N 3.39Å; S28-D31 VanDerWaalsContact CB-OD2 3.28Å; S28-D31 WeakPolarHBondContact CB-OD2 3.38Å; S28-D31 PolarHBondContact N-OD2 3.42Å; S28-D31 WeakPolarHBondContact O-CA 3.3Å; S28-D31 WeakPolarHBondContact O-CB 3.36Å; S28-D31 PolarHBondContact O-N 2.95Å; S28-H32 PolarHBondContact O-N 3.5Å
29Y73.6Confident68.3Low198 Ų198112 Ų11278%0.77654%0.541SS*.Hα-helixtrans-55.3-36.7176179-97.8000112H32 W33Y29-H32 WeakPolarHBondContact O-CB 3.17Å; Y29-H32 PolarHBondContact O-N 3.35Å; Y29-W33 PolarHBondContact O-N 2.81Å
30E75.7Confident69Low151 Ų151114.6 Ų114.671%0.70654%0.543SS*.Hα-helixtrans-64.5-39.2174.8-63.4-175.216700112.3S28 H32 W33 C34S28-E30 PolarHBondContact O-N 3.39Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.82Å; E30-W33 PolarHBondContact O-N 3.49Å; E30-C34 WeakPolarHBondContact O-CB 3.34Å; E30-C34 PolarHBondContact O-N 3.32Å
31D70.3Confident69.6Low88 Ų88119.6 Ų119.647%0.47155%0.553SS.*Hα-helixtrans-64.5-37.6175.8-62.1-37.9000110.9P27 S28 C34 Y35P27-D31 HydrophobicContact CB-CB 4.45Å; S28-D31 VanDerWaalsContact CB-OD2 3.28Å; S28-D31 WeakPolarHBondContact CB-OD2 3.38Å; S28-D31 PolarHBondContact N-OD2 3.42Å; S28-D31 WeakPolarHBondContact O-CA 3.3Å; S28-D31 WeakPolarHBondContact O-CB 3.36Å; S28-D31 PolarHBondContact O-N 2.95Å; D31-C34 PolarHBondContact O-N 2.99Å; D31-Y35 WeakPolarHBondContact O-CB 2.79Å; D31-Y35 PolarHBondContact O-N 3.37Å
32H71.3Confident69.8Low109 Ų109115.5 Ų115.551%0.50554%0.544SS..Hα-helixtrans-64.9-40.9177.1-170.6-87.7000111.9S28 Y29 E30 Y35 W36S28-H32 PolarHBondContact O-N 3.5Å; Y29-H32 WeakPolarHBondContact O-CB 3.17Å; Y29-H32 PolarHBondContact O-N 3.35Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.82Å; H32-Y35 PolarHBondContact O-N 3.37Å; H32-W36 WeakPolarHBondContact O-CB 3.42Å; H32-W36 PolarHBondContact O-N 3.22Å
33W74.6Confident70.2Confident163 Ų163115.8 Ų115.862%0.61755%0.55SS**Hα-helixtrans-68.3-41.1175.7-167.684.3000112Y29 E30 Y35 W36 N37Y29-W33 PolarHBondContact O-N 2.81Å; E30-W33 PolarHBondContact O-N 3.49Å; W33-Y35 VanDerWaalsContact C-N 3.35Å; W33-W36 PolarHBondContact O-N 2.81Å; W33-N37 VanDerWaalsContact CE2-ND2 3.33Å; W33-N37 WeakPolarHBondContact CH2-ND2 3.38Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.26Å; W33-N37 WeakPolarHBondContact CZ3-ND2 3.35Å; W33-N37 PolarHBondContact O-N 3.09Å
34C73.8Confident70.7Confident73 Ų73114.6 Ų114.649%0.49355%0.546SS..Hα-helixtrans-60.5-45.5173.6-169.20000111.3E30 D31 N37 F38E30-C34 WeakPolarHBondContact O-CB 3.34Å; E30-C34 PolarHBondContact O-N 3.32Å; D31-C34 PolarHBondContact O-N 2.99Å; C34-N37 PolarHBondContact O-N 3.48Å; C34-F38 WeakPolarHBondContact O-CB 3.43Å; C34-F38 PolarHBondContact O-N 2.97Å
35Y70.7Confident71.2Confident114 Ų114114.1 Ų114.145%0.44754%0.541SS..Hα-helixtrans-60.6-45.5175.2176.5-105000111.8M22 D31 H32 W33 N37 F38 C39M22-Y35 HydrophobicContact CE-CD2 3.37Å; M22-Y35 HydrophobicContact CE-CE2 3.26Å; D31-Y35 WeakPolarHBondContact O-CB 2.79Å; D31-Y35 PolarHBondContact O-N 3.37Å; H32-Y35 PolarHBondContact O-N 3.37Å; W33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-N37 PolarHBondContact O-N 2.79Å; Y35-F38 WeakPolarHBondContact O-CB 3.06Å; Y35-F38 PolarHBondContact O-N 2.92Å; Y35-C39 WeakPolarHBondContact CE2-SG 3.12Å; Y35-C39 WeakPolarHBondContact O-CB 3.33Å; Y35-C39 PolarHBondContact O-N 2.94Å; Y35-C39 PolarHBondContact O-SG 3.27Å; Y35-C39 VanDerWaalsContact O-SG 3.33Å
36W74.2Confident71.7Confident135 Ų135113.9 Ų113.951%0.51154%0.536SS..Hα-helixtrans-61.6-43.5178.1-171.787.2000111.8H32 W33 F38 C39 R40H32-W36 WeakPolarHBondContact O-CB 3.42Å; H32-W36 PolarHBondContact O-N 3.22Å; W33-W36 PolarHBondContact O-N 2.81Å; W36-F38 VanDerWaalsContact C-N 3.34Å; W36-F38 PolarHBondContact O-N 3.22Å; W36-C39 PolarHBondContact O-N 2.8Å; W36-R40 WeakPolarHBondContact O-CB 3.38Å; W36-R40 PolarHBondContact O-N 2.72Å
37N74.2Confident72.4Confident27 Ų27113.3 Ų113.314%0.14452%0.522CS..Hα-helixtrans-66.5-35.1174.5-81.2-31.6000113W33 C34 Y35 R41W33-N37 VanDerWaalsContact CE2-ND2 3.33Å; W33-N37 WeakPolarHBondContact CH2-ND2 3.38Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.26Å; W33-N37 WeakPolarHBondContact CZ3-ND2 3.35Å; W33-N37 PolarHBondContact O-N 3.09Å; C34-N37 PolarHBondContact O-N 3.48Å; Y35-N37 PolarHBondContact O-N 2.79Å; N37-R41 WeakPolarHBondContact O-CB 3.48Å; N37-R41 VanDerWaalsContact O-CG 3.32Å; N37-R41 WeakPolarHBondContact O-CG 3.21Å; N37-R41 PolarHBondContact O-N 2.8Å; N37-R41 PolarHBondContact O-NE 3.25Å
38F73.1Confident73.2Confident95 Ų95111.9 Ų111.942%0.41751%0.512SS..Hα-helixtrans-66.1-47.5174178.1-105.9000111M22 C34 Y35 W36 R40 R41 L42M22-F38 HydrophobicContact CE-CD1 4.19Å; M22-F38 HydrophobicContact CE-CE1 4.15Å; C34-F38 WeakPolarHBondContact O-CB 3.43Å; C34-F38 PolarHBondContact O-N 2.97Å; Y35-F38 WeakPolarHBondContact O-CB 3.06Å; Y35-F38 PolarHBondContact O-N 2.92Å; W36-F38 VanDerWaalsContact C-N 3.34Å; W36-F38 PolarHBondContact O-N 3.22Å; F38-R40 PolarHBondContact O-N 3.43Å; F38-R41 CarbonylContact O-C 3.57Å; F38-R41 WeakPolarHBondContact O-CB 3.45Å; F38-R41 PolarHBondContact O-N 3.39Å; F38-R41 VanDerWaalsContact O-N 3.17Å; F38-L42 HydrophobicContact CD1-CD1 3.72Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.25Å; F38-L42 HydrophobicContact CE1-CG 3.97Å; F38-L42 HydrophobicContact CE2-CG 4.44Å; F38-L42 HydrophobicContact CZ-CD1 3.72Å; F38-L42 HydrophobicContact CZ-CD2 4.28Å; F38-L42 HydrophobicContact CZ-CG 4.01Å; F38-L42 PolarHBondContact O-N 3.3Å
39C74.5Confident73.3Confident35 Ų35113.8 Ų113.824%0.23652%0.516CS..Hα-helixtrans-59.5-44.1174.4-74.40000112.1Y35 W36 R41 L42 V43Y35-C39 WeakPolarHBondContact CE2-SG 3.12Å; Y35-C39 WeakPolarHBondContact O-CB 3.33Å; Y35-C39 PolarHBondContact O-N 2.94Å; Y35-C39 PolarHBondContact O-SG 3.27Å; Y35-C39 VanDerWaalsContact O-SG 3.33Å; W36-C39 PolarHBondContact O-N 2.8Å; C39-R41 VanDerWaalsContact C-N 3.32Å; C39-R41 PolarHBondContact O-N 2.97Å; C39-L42 WeakPolarHBondContact O-CB 3.36Å; C39-L42 PolarHBondContact O-N 3.47Å; C39-V43 WeakPolarHBondContact O-CG2 3.4Å; C39-V43 PolarHBondContact O-N 3.41Å
40R76Confident73.4Confident162 Ų162107.6 Ų107.661%0.61150%0.496SS*.Hα-helixtrans-60.3-42.8174.7-175.3176.9175.4-179.6-0.7111.5W36 F38 V43 H44W36-R40 WeakPolarHBondContact O-CB 3.38Å; W36-R40 PolarHBondContact O-N 2.72Å; F38-R40 PolarHBondContact O-N 3.43Å; R40-V43 PolarHBondContact O-N 2.82Å; R40-H44 PolarHBondContact O-N 3.29Å; R40-H44 VanDerWaalsContact O-N 3.07Å
41R74.7Confident73.5Confident161 Ų161105.5 Ų105.561%0.60849%0.49SS*.Hα-helixtrans-63.1-43.3173.8-79.9-177.2-97.2-153.4-1.3111.7N37 F38 C39 V43 H44 M45N37-R41 WeakPolarHBondContact O-CB 3.48Å; N37-R41 VanDerWaalsContact O-CG 3.32Å; N37-R41 WeakPolarHBondContact O-CG 3.21Å; N37-R41 PolarHBondContact O-N 2.8Å; N37-R41 PolarHBondContact O-NE 3.25Å; F38-R41 CarbonylContact O-C 3.57Å; F38-R41 WeakPolarHBondContact O-CB 3.45Å; F38-R41 PolarHBondContact O-N 3.39Å; F38-R41 VanDerWaalsContact O-N 3.17Å; C39-R41 VanDerWaalsContact C-N 3.32Å; C39-R41 PolarHBondContact O-N 2.97Å; R41-V43 PolarHBondContact O-N 3.5Å; R41-H44 PolarHBondContact O-N 2.73Å; R41-M45 WeakPolarHBondContact O-CB 3.27Å; R41-M45 VanDerWaalsContact O-CG 3.25Å; R41-M45 WeakPolarHBondContact O-CG 3.42Å; R41-M45 PolarHBondContact O-N 3.02Å
42L69.1Low73.8Confident91 Ų91104.9 Ų104.948%0.47648%0.483SS..Hα-helixtrans-60.3-44.5176.6-82.2173.5000112.4F38 C39 H44 M45 R46F38-L42 HydrophobicContact CD1-CD1 3.72Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.25Å; F38-L42 HydrophobicContact CE1-CG 3.97Å; F38-L42 HydrophobicContact CE2-CG 4.44Å; F38-L42 HydrophobicContact CZ-CD1 3.72Å; F38-L42 HydrophobicContact CZ-CD2 4.28Å; F38-L42 HydrophobicContact CZ-CG 4.01Å; F38-L42 PolarHBondContact O-N 3.3Å; C39-L42 WeakPolarHBondContact O-CB 3.36Å; C39-L42 PolarHBondContact O-N 3.47Å; L42-H44 VanDerWaalsContact C-N 3.34Å; L42-H44 PolarHBondContact O-N 2.82Å; L42-M45 PolarHBondContact O-N 3.29Å; L42-R46 PolarHBondContact O-N 3.48Å
43V71.3Confident74Confident84 Ų84104.1 Ų104.151%0.50948%0.482SS..Hα-helixtrans-62.8-43.4176.6172.70000110.7C39 R40 R41 M45 R46 H47C39-V43 WeakPolarHBondContact O-CG2 3.4Å; C39-V43 PolarHBondContact O-N 3.41Å; R40-V43 PolarHBondContact O-N 2.82Å; R41-V43 PolarHBondContact O-N 3.5Å; V43-M45 PolarHBondContact O-N 3.38Å; V43-R46 WeakPolarHBondContact O-CB 3.24Å; V43-R46 PolarHBondContact O-N 3.19Å; V43-H47 PolarHBondContact O-CD2 3.37Å; V43-H47 VanDerWaalsContact O-CD2 3.28Å; V43-H47 PolarHBondContact O-N 2.95Å; V43-H47 VanDerWaalsContact O-N 3.08Å
44H73.5Confident74Confident127 Ų127100.3 Ų100.359%0.58848%0.476SS*.Hα-helixtrans-62.2-43.4175.2-167.8-71.2000111.7R40 R41 L42 R46 H47 V48R40-H44 PolarHBondContact O-N 3.29Å; R40-H44 VanDerWaalsContact O-N 3.07Å; R41-H44 PolarHBondContact O-N 2.73Å; L42-H44 VanDerWaalsContact C-N 3.34Å; L42-H44 PolarHBondContact O-N 2.82Å; H44-R46 VanDerWaalsContact C-N 3.32Å; H44-R46 PolarHBondContact O-N 3.41Å; H44-H47 PolarHBondContact O-N 3.3Å; H44-V48 WeakPolarHBondContact O-CG2 3.29Å; H44-V48 PolarHBondContact O-N 3.13Å
45M70.6Confident74.1Confident126 Ų126102 Ų10262%0.62148%0.476SS*.Hα-helixtrans-62-38.7175.7-72.4-60.6-132.700111.9R41 L42 V43 H47 V48 L49R41-M45 WeakPolarHBondContact O-CB 3.27Å; R41-M45 VanDerWaalsContact O-CG 3.25Å; R41-M45 WeakPolarHBondContact O-CG 3.42Å; R41-M45 PolarHBondContact O-N 3.02Å; L42-M45 PolarHBondContact O-N 3.29Å; V43-M45 PolarHBondContact O-N 3.38Å; M45-H47 PolarHBondContact O-N 3.23Å; M45-V48 PolarHBondContact O-N 3Å; M45-L49 VanDerWaalsContact O-CB 3.29Å; M45-L49 WeakPolarHBondContact O-CB 3.47Å; M45-L49 PolarHBondContact O-N 3.39Å
46R75Confident74.1Confident169 Ų16997 Ų9764%0.63846%0.457SS*.Hα-helixtrans-59.8-45.5173.7-178.1-173.6177.3-154.10.5111.2L42 V43 H44 L49 I50L42-R46 PolarHBondContact O-N 3.48Å; V43-R46 WeakPolarHBondContact O-CB 3.24Å; V43-R46 PolarHBondContact O-N 3.19Å; H44-R46 VanDerWaalsContact C-N 3.32Å; H44-R46 PolarHBondContact O-N 3.41Å; R46-L49 PolarHBondContact O-N 3.32Å; R46-I50 HydrophobicContact CG-CD1 3.88Å; R46-I50 VanDerWaalsContact O-CG1 3.27Å; R46-I50 WeakPolarHBondContact O-CG1 3.13Å; R46-I50 PolarHBondContact O-N 3.26Å
47H74.6Confident74Confident109 Ų10995.6 Ų95.651%0.50546%0.456SS..Hα-helixtrans-63.5-43.5176.8-81-72000112.3V43 H44 M45 L49 I50 N51V43-H47 PolarHBondContact O-CD2 3.37Å; V43-H47 VanDerWaalsContact O-CD2 3.28Å; V43-H47 PolarHBondContact O-N 2.95Å; V43-H47 VanDerWaalsContact O-N 3.08Å; H44-H47 PolarHBondContact O-N 3.3Å; M45-H47 PolarHBondContact O-N 3.23Å; H47-L49 VanDerWaalsContact C-N 3.32Å; H47-L49 PolarHBondContact O-N 2.95Å; H47-I50 PolarHBondContact O-N 3.28Å; H47-N51 WeakPolarHBondContact O-CB 3.32Å; H47-N51 VanDerWaalsContact O-CG 3.23Å; H47-N51 PolarHBondContact O-N 3Å; H47-N51 PolarHBondContact O-ND2 2.95Å
48V75.1Confident73.8Confident71 Ų71103.3 Ų103.343%0.4348%0.483SS..Hα-helixtrans-60.3-44175173.30000110.7H44 M45 N51 F52H44-V48 WeakPolarHBondContact O-CG2 3.29Å; H44-V48 PolarHBondContact O-N 3.13Å; M45-V48 PolarHBondContact O-N 3Å; V48-N51 PolarHBondContact O-N 3.44Å; V48-F52 VanDerWaalsContact O-CB 3.24Å; V48-F52 WeakPolarHBondContact O-CB 3.4Å; V48-F52 PolarHBondContact O-N 3.31Å
49L73.6Confident73.5Confident101 Ų10199.6 Ų99.653%0.52947%0.468SS..Hα-helixtrans-64.1-44.8178.6-175.167.4000111.8M45 R46 H47 F52 L53M45-L49 VanDerWaalsContact O-CB 3.29Å; M45-L49 WeakPolarHBondContact O-CB 3.47Å; M45-L49 PolarHBondContact O-N 3.39Å; R46-L49 PolarHBondContact O-N 3.32Å; H47-L49 VanDerWaalsContact C-N 3.32Å; H47-L49 PolarHBondContact O-N 2.95Å; L49-F52 WeakPolarHBondContact O-CB 3.27Å; L49-F52 PolarHBondContact O-N 3.42Å; L49-L53 HydrophobicContact CG-CD1 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.94Å
50I76.8Confident73Confident69 Ų69101.2 Ų101.235%0.35447%0.469SS..Hα-helixtrans-62-47.1176.4-68.9166.3000110.2R46 H47 F52 L53 V54R46-I50 HydrophobicContact CG-CD1 3.88Å; R46-I50 VanDerWaalsContact O-CG1 3.27Å; R46-I50 WeakPolarHBondContact O-CG1 3.13Å; R46-I50 PolarHBondContact O-N 3.26Å; H47-I50 PolarHBondContact O-N 3.28Å; I50-F52 PolarHBondContact O-N 2.92Å; I50-L53 PolarHBondContact O-N 3.43Å; I50-L53 VanDerWaalsContact O-N 3.17Å; I50-V54 HydrophobicContact CG2-CG2 4.38Å; I50-V54 WeakPolarHBondContact O-CG2 3.44Å; I50-V54 PolarHBondContact O-N 2.81Å
51N77.1Confident72.5Confident107 Ų107102.1 Ų102.157%0.57247%0.474SS*.Hα-helixtrans-60.3-39.1177.5-73.7-16.3000111.6H47 V48 V54 F55H47-N51 WeakPolarHBondContact O-CB 3.32Å; H47-N51 VanDerWaalsContact O-CG 3.23Å; H47-N51 PolarHBondContact O-N 3Å; H47-N51 PolarHBondContact O-ND2 2.95Å; V48-N51 PolarHBondContact O-N 3.44Å; N51-V54 PolarHBondContact O-N 2.78Å; N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.29Å
52F76.8Confident72.3Confident74 Ų74104 Ų10433%0.32548%0.481SS..Hα-helixtrans-65.7-44.1175.1-178.3-95.3000112V48 L49 I50 V54 F55 V56 L74V48-F52 VanDerWaalsContact O-CB 3.24Å; V48-F52 WeakPolarHBondContact O-CB 3.4Å; V48-F52 PolarHBondContact O-N 3.31Å; L49-F52 WeakPolarHBondContact O-CB 3.27Å; L49-F52 PolarHBondContact O-N 3.42Å; I50-F52 PolarHBondContact O-N 2.92Å; F52-V54 PolarHBondContact O-N 3.45Å; F52-F55 WeakPolarHBondContact O-CB 3.36Å; F52-F55 PolarHBondContact O-N 2.89Å; F52-V56 HydrophobicContact CD1-CG2 4.09Å; F52-V56 HydrophobicContact CE1-CG2 3.6Å; F52-V56 HydrophobicContact CE2-CG2 4.38Å; F52-V56 HydrophobicContact CZ-CG2 3.76Å; F52-V56 WeakPolarHBondContact O-CG2 3.48Å; F52-V56 PolarHBondContact O-N 3.23Å; F52-L74 HydrophobicContact CE1-CD1 3.39Å; F52-L74 HydrophobicContact CE1-CD2 3.61Å; F52-L74 HydrophobicContact CE1-CG 4Å; F52-L74 HydrophobicContact CZ-CD1 3.55Å; F52-L74 HydrophobicContact CZ-CD2 3.52Å; F52-L74 HydrophobicContact CZ-CG 3.84Å
53L73.9Confident72.1Confident93 Ų93103 Ų10349%0.48748%0.476SS..Hα-helixtrans-62.8-41.6175.1-71.4173.2000111.9L49 I50 F55 V56 H57L49-L53 HydrophobicContact CG-CD1 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.94Å; I50-L53 PolarHBondContact O-N 3.43Å; I50-L53 VanDerWaalsContact O-N 3.17Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-V56 PolarHBondContact O-N 3.4Å; L53-H57 WeakPolarHBondContact O-CB 3.45Å; L53-H57 PolarHBondContact O-N 2.67Å
54V75.5Confident72Confident83 Ų83102.4 Ų102.450%0.50348%0.48SS..Hα-helixtrans-63.5-39.7173.71720000110.8I50 N51 F52 H57 R58I50-V54 HydrophobicContact CG2-CG2 4.38Å; I50-V54 WeakPolarHBondContact O-CG2 3.44Å; I50-V54 PolarHBondContact O-N 2.81Å; N51-V54 PolarHBondContact O-N 2.78Å; F52-V54 PolarHBondContact O-N 3.45Å; V54-H57 PolarHBondContact O-N 2.78Å; V54-R58 WeakPolarHBondContact O-CB 3.15Å; V54-R58 PolarHBondContact O-N 3.07Å
55F76.1Confident71.8Confident110 Ų110101.6 Ų101.648%0.48248%0.484SS..Hα-helixtrans-63.2-48.2174.4175.5-98.9000111.5N51 F52 L53 H57 R58 V59N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.29Å; F52-F55 WeakPolarHBondContact O-CB 3.36Å; F52-F55 PolarHBondContact O-N 2.89Å; L53-F55 VanDerWaalsContact C-N 3.32Å; F55-H57 VanDerWaalsContact C-N 3.3Å; F55-H57 PolarHBondContact O-N 2.78Å; F55-R58 PolarHBondContact O-N 3.13Å; F55-V59 HydrophobicContact CD1-CG2 4.15Å; F55-V59 HydrophobicContact CD2-CG2 4.34Å; F55-V59 HydrophobicContact CE1-CG2 3.75Å; F55-V59 HydrophobicContact CE2-CG2 3.96Å; F55-V59 HydrophobicContact CG-CG2 4.43Å; F55-V59 HydrophobicContact CZ-CG2 3.66Å; F55-V59 WeakPolarHBondContact O-CB 3.34Å; F55-V59 VanDerWaalsContact O-CG2 3.27Å; F55-V59 WeakPolarHBondContact O-CG2 3.25Å; F55-V59 PolarHBondContact O-N 3.42Å
56V71.4Confident71.7Confident9 Ų999.2 Ų99.26%0.05547%0.474CS..Hα-helixtrans-58.9-43.5175.6171.90000110.6F52 L53 V59 R60 L74 F99F52-V56 HydrophobicContact CD1-CG2 4.09Å; F52-V56 HydrophobicContact CE1-CG2 3.6Å; F52-V56 HydrophobicContact CE2-CG2 4.38Å; F52-V56 HydrophobicContact CZ-CG2 3.76Å; F52-V56 WeakPolarHBondContact O-CG2 3.48Å; F52-V56 PolarHBondContact O-N 3.23Å; L53-V56 PolarHBondContact O-N 3.4Å; V56-V59 PolarHBondContact O-N 3.34Å; V56-R60 WeakPolarHBondContact O-CB 3.31Å; V56-R60 PolarHBondContact O-N 3.17Å; V56-L74 HydrophobicContact CG2-CD1 4.31Å; V56-F99 HydrophobicContact CG1-CE1 4.43Å
57H70.3Confident71.3Confident105 Ų10591.8 Ų91.849%0.48645%0.446SS..Hα-helixtrans-61.5-46.9175-171.2-95.1000111.4L53 V54 F55 V59 R60 Y61L53-H57 WeakPolarHBondContact O-CB 3.45Å; L53-H57 PolarHBondContact O-N 2.67Å; V54-H57 PolarHBondContact O-N 2.78Å; F55-H57 VanDerWaalsContact C-N 3.3Å; F55-H57 PolarHBondContact O-N 2.78Å; H57-V59 VanDerWaalsContact C-N 3.34Å; H57-V59 PolarHBondContact O-N 3.37Å; H57-R60 WeakPolarHBondContact O-CB 3.22Å; H57-R60 PolarHBondContact O-N 2.88Å; H57-R60 VanDerWaalsContact O-N 3.14Å; H57-Y61 AromaticContact CE1-CE2 3.25Å; H57-Y61 WeakPolarHBondContact CE1-CE2 3.43Å; H57-Y61 AromaticContact ND1-CE2 3.73Å; H57-Y61 AromaticContact NE2-CE2 3.52Å; H57-Y61 VanDerWaalsContact O-CD2 3.31Å; H57-Y61 WeakPolarHBondContact O-CD2 3.48Å; H57-Y61 PolarHBondContact O-N 2.72Å
58R71.3Confident71.1Confident189 Ų18991.8 Ų91.871%0.71345%0.445SS*.Hα-helixtrans-62.4-39.9177-175.2-178.5-87.2-170.4-5.7112V54 F55 R60 Y61 R62V54-R58 WeakPolarHBondContact O-CB 3.15Å; V54-R58 PolarHBondContact O-N 3.07Å; F55-R58 PolarHBondContact O-N 3.13Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.14Å; R58-Y61 PolarHBondContact O-N 2.81Å; R58-R62 PolarHBondContact O-N 3.47Å
59V66.2Low71Confident17 Ų1794.1 Ų94.110%0.10345%0.454CS..Hα-helixtrans-64.5-37.1175.1170.70000111F55 V56 H57 Y61 R62 N63 L66F55-V59 HydrophobicContact CD1-CG2 4.15Å; F55-V59 HydrophobicContact CD2-CG2 4.34Å; F55-V59 HydrophobicContact CE1-CG2 3.75Å; F55-V59 HydrophobicContact CE2-CG2 3.96Å; F55-V59 HydrophobicContact CG-CG2 4.43Å; F55-V59 HydrophobicContact CZ-CG2 3.66Å; F55-V59 WeakPolarHBondContact O-CB 3.34Å; F55-V59 VanDerWaalsContact O-CG2 3.27Å; F55-V59 WeakPolarHBondContact O-CG2 3.25Å; F55-V59 PolarHBondContact O-N 3.42Å; V56-V59 PolarHBondContact O-N 3.34Å; H57-V59 VanDerWaalsContact C-N 3.34Å; H57-V59 PolarHBondContact O-N 3.37Å; V59-Y61 VanDerWaalsContact C-N 3.33Å; V59-Y61 PolarHBondContact O-N 2.82Å; V59-R62 PolarHBondContact O-N 3.4Å; V59-R62 VanDerWaalsContact O-N 3.13Å; V59-N63 PolarHBondContact O-N 2.72Å; V59-L66 HydrophobicContact CG1-CB 3.45Å; V59-L66 VanDerWaalsContact CG1-CB 3.45Å
60R64.5Low71Confident68 Ų6890.7 Ų90.726%0.25744%0.438SS..Hα-helixtrans-55.1-44.2176.8-166174.6172.8159.7-9113.4V56 H57 R58 R62 H67 P102 N103V56-R60 WeakPolarHBondContact O-CB 3.31Å; V56-R60 PolarHBondContact O-N 3.17Å; H57-R60 WeakPolarHBondContact O-CB 3.22Å; H57-R60 PolarHBondContact O-N 2.88Å; H57-R60 VanDerWaalsContact O-N 3.14Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.14Å; R60-R62 VanDerWaalsContact C-N 3.35Å; R60-H67 WeakPolarHBondContact CB-CD2 3.48Å; R60-H67 VanDerWaalsContact CG-CD2 3.48Å; R60-H67 WeakPolarHBondContact CG-CD2 3.38Å; R60-P102 PolarHBondContact NH2-O 3.5Å; R60-N103 VanDerWaalsContact NH2-CG 3.3Å; R60-N103 PolarHBondContact NH2-OD1 2.84Å
61Y65.1Low70.8Confident181 Ų18188 Ų8871%0.7143%0.425SS*.Hα-helixtrans-74.5-28.4179.5-77.9-89000112.6H57 R58 V59H57-Y61 AromaticContact CE1-CE2 3.25Å; H57-Y61 WeakPolarHBondContact CE1-CE2 3.43Å; H57-Y61 AromaticContact ND1-CE2 3.73Å; H57-Y61 AromaticContact NE2-CE2 3.52Å; H57-Y61 VanDerWaalsContact O-CD2 3.31Å; H57-Y61 WeakPolarHBondContact O-CD2 3.48Å; H57-Y61 PolarHBondContact O-N 2.72Å; R58-Y61 PolarHBondContact O-N 2.81Å; V59-Y61 VanDerWaalsContact C-N 3.33Å; V59-Y61 PolarHBondContact O-N 2.82Å
62R69.8Low70.5Confident200 Ų20085.3 Ų85.376%0.75541%0.414SS*.Hα-helixtrans-83.9-48.5-173.5-173173154.1-173-6.9112.6R58 V59 R60R58-R62 PolarHBondContact O-N 3.47Å; V59-R62 PolarHBondContact O-N 3.4Å; V59-R62 VanDerWaalsContact O-N 3.13Å; R60-R62 VanDerWaalsContact C-N 3.35Å
63N65.8Low70.5Confident70 Ų7084.6 Ų84.637%0.37442%0.419SS..  trans-149.3116.6-176.3-75.6-34.1000111.4V59 T65 L66 H67V59-N63 PolarHBondContact O-N 2.72Å; N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 3.47Å; N63-L66 HydrophobicContact CB-CB 4.13Å; N63-L66 HydrophobicContact CB-CD1 4Å; N63-L66 HydrophobicContact CB-CG 4.04Å; N63-L66 PolarHBondContact O-N 2.81Å; N63-H67 PolarHBondContact O-N 3.01Å
64A69.3Low70.4Confident72 Ų7281.6 Ų81.660%0.59540%0.403SS*.Hα-helixtrans-60.4-33.6178.800000113.4H67 F68A64-H67 PolarHBondContact O-N 3.3Å; A64-F68 PolarHBondContact O-N 3.32Å
65T68.7Low70.2Confident110 Ų11080.2 Ų80.268%0.67539%0.392SS*.Hα-helixtrans-66.3-44.3178.8520000112.3N63 H67 F68 L69N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 3.47Å; T65-H67 VanDerWaalsContact C-N 3.32Å; T65-H67 PolarHBondContact O-N 3.48Å; T65-F68 PolarHBondContact O-N 3.31Å; T65-L69 PolarHBondContact O-N 3.39Å
66L68.2Low70Confident77 Ų7779 Ų7940%0.40340%0.397SS..Hα-helixtrans-65.6-37.6176.3-69.7179.2000111.3V59 N63 F68 L69 T70V59-L66 HydrophobicContact CG1-CB 3.45Å; V59-L66 VanDerWaalsContact CG1-CB 3.45Å; N63-L66 HydrophobicContact CB-CB 4.13Å; N63-L66 HydrophobicContact CB-CD1 4Å; N63-L66 HydrophobicContact CB-CG 4.04Å; N63-L66 PolarHBondContact O-N 2.81Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-L69 PolarHBondContact O-N 2.8Å; L66-T70 WeakPolarHBondContact O-CG2 3.34Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 3.39Å
67H67.7Low70.1Confident13 Ų1383.6 Ų83.66%0.0642%0.42CS..Hα-helixtrans-63.5-40173.8-175.6-85.9000112.2R60 N63 A64 T65 T70 S71R60-H67 WeakPolarHBondContact CB-CD2 3.48Å; R60-H67 VanDerWaalsContact CG-CD2 3.48Å; R60-H67 WeakPolarHBondContact CG-CD2 3.38Å; N63-H67 PolarHBondContact O-N 3.01Å; A64-H67 PolarHBondContact O-N 3.3Å; T65-H67 VanDerWaalsContact C-N 3.32Å; T65-H67 PolarHBondContact O-N 3.48Å; H67-T70 WeakPolarHBondContact CA-OG1 3.12Å; H67-T70 PolarHBondContact O-OG1 3.35Å; H67-T70 VanDerWaalsContact O-OG1 3.13Å; H67-S71 PolarHBondContact CE1-OG 2.85Å; H67-S71 VanDerWaalsContact CE1-OG 3.23Å; H67-S71 PolarHBondContact ND1-OG 3.46Å; H67-S71 WeakPolarHBondContact O-CB 3.47Å; H67-S71 PolarHBondContact O-N 3.28Å; H67-S71 PolarHBondContact O-OG 2.84Å
68F71Confident70Confident108 Ų10880.1 Ų80.147%0.47441%0.406SS..Hα-helixtrans-64.4-45.1175.3-178.8-100.4000111.6A64 T65 L66 S71 S72 I109A64-F68 PolarHBondContact O-N 3.32Å; T65-F68 PolarHBondContact O-N 3.31Å; L66-F68 VanDerWaalsContact C-N 3.34Å; F68-S71 PolarHBondContact O-N 2.84Å; F68-S72 WeakPolarHBondContact O-CB 3.4Å; F68-S72 PolarHBondContact O-N 3.4Å; F68-I109 HydrophobicContact CB-CD1 4.48Å; F68-I109 HydrophobicContact CD2-CD1 4.11Å; F68-I109 HydrophobicContact CD2-CG2 4.37Å; F68-I109 HydrophobicContact CE2-CG2 4.26Å
69L72.4Confident69.7Low120 Ų12071.9 Ų71.963%0.62838%0.38SS*.Hα-helixtrans-63.2-47179-165.576.4000111.7T65 L66 S72 S73T65-L69 PolarHBondContact O-N 3.39Å; L66-L69 PolarHBondContact O-N 2.8Å; L69-S72 PolarHBondContact O-N 3.45Å; L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 2.9Å; L69-S73 PolarHBondContact O-OG 2.84Å
70T73.6Confident69.8Low29 Ų2977.2 Ų77.218%0.17840%0.402CS..Hα-helixtrans-64.6-46.1177.253.70000111.2L66 H67 S72 S73 L74L66-T70 WeakPolarHBondContact O-CG2 3.34Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 3.39Å; H67-T70 WeakPolarHBondContact CA-OG1 3.12Å; H67-T70 PolarHBondContact O-OG1 3.35Å; H67-T70 VanDerWaalsContact O-OG1 3.13Å; T70-S72 VanDerWaalsContact C-N 3.35Å; T70-S72 PolarHBondContact O-N 3.31Å; T70-S73 PolarHBondContact O-N 2.98Å; T70-S73 PolarHBondContact O-OG 2.72Å; T70-L74 WeakPolarHBondContact O-CB 3.19Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.47Å; T70-L74 PolarHBondContact O-N 3.41Å
71S73.3Confident69.9Low12 Ų1277.2 Ų77.28%0.08441%0.409CS..Hα-helixtrans-61-41.8177.2-58.30000112.2H67 F68 L74 L75 F99H67-S71 PolarHBondContact CE1-OG 2.85Å; H67-S71 VanDerWaalsContact CE1-OG 3.23Å; H67-S71 PolarHBondContact ND1-OG 3.46Å; H67-S71 WeakPolarHBondContact O-CB 3.47Å; H67-S71 PolarHBondContact O-N 3.28Å; H67-S71 PolarHBondContact O-OG 2.84Å; F68-S71 PolarHBondContact O-N 2.84Å; S71-L74 PolarHBondContact O-N 3.36Å; S71-L75 WeakPolarHBondContact O-CB 3.47Å; S71-L75 PolarHBondContact O-N 3.27Å; S71-F99 WeakPolarHBondContact OG-CD1 3.24Å; S71-F99 WeakPolarHBondContact OG-CE1 3.34Å
72S70.5Confident69.8Low51 Ų5169.4 Ų69.436%0.35738%0.384SS..Hα-helixtrans-64.7-46.1177.1-171.50000111.4F68 L69 T70 L74 L75 C76F68-S72 WeakPolarHBondContact O-CB 3.4Å; F68-S72 PolarHBondContact O-N 3.4Å; L69-S72 PolarHBondContact O-N 3.45Å; T70-S72 VanDerWaalsContact C-N 3.35Å; T70-S72 PolarHBondContact O-N 3.31Å; S72-L74 VanDerWaalsContact C-N 3.32Å; S72-L74 PolarHBondContact O-N 3.18Å; S72-L75 WeakPolarHBondContact O-CB 3.37Å; S72-L75 PolarHBondContact O-N 3.48Å; S72-C76 PolarHBondContact O-N 2.85Å; S72-C76 PolarHBondContact O-SG 3.34Å; S72-C76 VanDerWaalsContact O-SG 3.32Å
73S75.3Confident69.6Low59 Ų5966.6 Ų66.641%0.41338%0.382SS..Hα-helixtrans-62.2-40177.768.50000112.2L69 T70 C76 I77L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 2.9Å; L69-S73 PolarHBondContact O-OG 2.84Å; T70-S73 PolarHBondContact O-N 2.98Å; T70-S73 PolarHBondContact O-OG 2.72Å; S73-C76 PolarHBondContact O-N 3.17Å; S73-I77 WeakPolarHBondContact O-CG1 3.37Å; S73-I77 PolarHBondContact O-N 2.99Å
74L73.6Confident69.6Low30 Ų3069.3 Ų69.316%0.15739%0.393CS..Hα-helixtrans-64.4-44.4174.2-75.2172.6000112F52 V56 T70 S71 S72 C76 I77 V78 F99F52-L74 HydrophobicContact CE1-CD1 3.39Å; F52-L74 HydrophobicContact CE1-CD2 3.61Å; F52-L74 HydrophobicContact CE1-CG 4Å; F52-L74 HydrophobicContact CZ-CD1 3.55Å; F52-L74 HydrophobicContact CZ-CD2 3.52Å; F52-L74 HydrophobicContact CZ-CG 3.84Å; V56-L74 HydrophobicContact CG2-CD1 4.31Å; T70-L74 WeakPolarHBondContact O-CB 3.19Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.47Å; T70-L74 PolarHBondContact O-N 3.41Å; S71-L74 PolarHBondContact O-N 3.36Å; S72-L74 VanDerWaalsContact C-N 3.32Å; S72-L74 PolarHBondContact O-N 3.18Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.42Å; L74-I77 PolarHBondContact O-N 3.24Å; L74-V78 WeakPolarHBondContact O-CB 3.33Å; L74-V78 WeakPolarHBondContact O-CG2 3.13Å; L74-V78 PolarHBondContact O-N 3.33Å; L74-F99 HydrophobicContact CB-CZ 4.48Å; L74-F99 HydrophobicContact CD1-CE1 4Å; L74-F99 HydrophobicContact CD1-CE2 4.39Å; L74-F99 HydrophobicContact CD1-CZ 3.47Å; L74-F99 VanDerWaalsContact CD1-CZ 3.47Å
75L70.6Confident69.5Low54 Ų5468.4 Ų68.428%0.28338%0.379SS..Hα-helixtrans-58.4-40.1174.6-104.6142.3000111.6S71 S72 G79 L96S71-L75 WeakPolarHBondContact O-CB 3.47Å; S71-L75 PolarHBondContact O-N 3.27Å; S72-L75 WeakPolarHBondContact O-CB 3.37Å; S72-L75 PolarHBondContact O-N 3.48Å; L75-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 PolarHBondContact O-N 3.2Å; L75-L96 HydrophobicContact CD2-CD1 4.1Å; L75-L96 HydrophobicContact CD2-CG 4.44Å
76C72.2Confident69.1Low85 Ų8568 Ų6857%0.57438%0.382SS*.Hα-helixtrans-65.2-48.3175.3-68.40000112.4S72 S73 L74 V78 G79 F80S72-C76 PolarHBondContact O-N 2.85Å; S72-C76 PolarHBondContact O-SG 3.34Å; S72-C76 VanDerWaalsContact O-SG 3.32Å; S73-C76 PolarHBondContact O-N 3.17Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.42Å; C76-V78 VanDerWaalsContact C-N 3.34Å; C76-V78 PolarHBondContact O-N 2.81Å; C76-G79 PolarHBondContact O-N 3.36Å; C76-F80 WeakPolarHBondContact O-CB 3.43Å; C76-F80 PolarHBondContact O-N 2.88Å
77I73.4Confident68.8Low106 Ų10667.7 Ų67.754%0.54438%0.38SS..Hα-helixtrans-62.3-44.7179.6-65.4165.1000110.3S73 L74 F80 V81S73-I77 WeakPolarHBondContact O-CG1 3.37Å; S73-I77 PolarHBondContact O-N 2.99Å; L74-I77 PolarHBondContact O-N 3.24Å; I77-F80 WeakPolarHBondContact O-CB 3.28Å; I77-F80 PolarHBondContact O-N 2.99Å; I77-V81 WeakPolarHBondContact O-CG2 3.26Å; I77-V81 PolarHBondContact O-N 2.83Å
78V68.7Low68.4Low31 Ų3169.5 Ų69.519%0.18839%0.39CS..Hα-helixtrans-68.4-38.8178.8175.20000111.1L74 C76 F80 V81 G82 Y92 I95L74-V78 WeakPolarHBondContact O-CB 3.33Å; L74-V78 WeakPolarHBondContact O-CG2 3.13Å; L74-V78 PolarHBondContact O-N 3.33Å; C76-V78 VanDerWaalsContact C-N 3.34Å; C76-V78 PolarHBondContact O-N 2.81Å; V78-F80 VanDerWaalsContact C-N 3.33Å; V78-V81 PolarHBondContact O-N 3.47Å; V78-G82 PolarHBondContact O-N 2.91Å; V78-Y92 HydrophobicContact CG1-CD2 4.17Å; V78-I95 HydrophobicContact CG1-CB 4.47Å; V78-I95 HydrophobicContact CG1-CD1 3.74Å; V78-I95 HydrophobicContact CG1-CG2 4.43Å; V78-I95 HydrophobicContact CG2-CD1 3.98Å; V78-I95 HydrophobicContact CG2-CG2 4.49Å
79G63.2Low67.8Low16 Ų1667.7 Ų67.717%0.16539%0.39CS..Hα-helixtrans-61.1-42.1173.700000111.9L75 C76 G82 I83L75-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 PolarHBondContact O-N 3.2Å; C76-G79 PolarHBondContact O-N 3.36Å; G79-G82 PolarHBondContact O-N 2.86Å; G79-I83 VanDerWaalsContact O-CG1 3.27Å; G79-I83 WeakPolarHBondContact O-CG1 3.17Å; G79-I83 PolarHBondContact O-N 3.35Å
80F69.2Low67.1Low130 Ų13065.7 Ų65.757%0.5738%0.379SS*.Hα-helixtrans-61.3-49.3174.1-177.5-100.8000111.7C76 I77 V78 G82 I83 H84C76-F80 WeakPolarHBondContact O-CB 3.43Å; C76-F80 PolarHBondContact O-N 2.88Å; I77-F80 WeakPolarHBondContact O-CB 3.28Å; I77-F80 PolarHBondContact O-N 2.99Å; V78-F80 VanDerWaalsContact C-N 3.33Å; F80-G82 VanDerWaalsContact C-N 3.33Å; F80-G82 PolarHBondContact O-N 3.44Å; F80-I83 PolarHBondContact O-N 2.87Å; F80-H84 AromaticContact CD1-CD2 3.92Å; F80-H84 AromaticContact CD2-NE2 3.93Å; F80-H84 AromaticContact CE1-CD2 3.59Å; F80-H84 AromaticContact CE1-NE2 3.77Å; F80-H84 AromaticContact CE2-CD2 3.68Å; F80-H84 AromaticContact CE2-NE2 3.22Å; F80-H84 WeakPolarHBondContact CE2-NE2 3.42Å; F80-H84 AromaticContact CZ-CD2 3.47Å; F80-H84 VanDerWaalsContact CZ-CD2 3.47Å; F80-H84 WeakPolarHBondContact CZ-CD2 3.43Å; F80-H84 AromaticContact CZ-NE2 3.13Å; F80-H84 WeakPolarHBondContact CZ-NE2 3.34Å; F80-H84 PolarHBondContact O-CD2 3.13Å; F80-H84 PolarHBondContact O-N 3.41Å
81V66.5Low66.6Low67 Ų6766.3 Ų66.341%0.40638%0.383SS..Hα-helixtrans-59.6-44.3176.1173.70000111.1I77 V78 I83 H84 T85 L88I77-V81 WeakPolarHBondContact O-CG2 3.26Å; I77-V81 PolarHBondContact O-N 2.83Å; V78-V81 PolarHBondContact O-N 3.47Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.42Å; V81-H84 PolarHBondContact O-N 2.77Å; V81-H84 VanDerWaalsContact O-N 3.11Å; V81-T85 PolarHBondContact O-N 3.45Å; V81-T85 PolarHBondContact O-OG1 2.83Å; V81-L88 HydrophobicContact CG1-CD1 4Å
82G62.9Low66.1Low17 Ų1769.5 Ų69.518%0.17539%0.394CS..Hα-helixtrans-63.8-34.1-179.900000114.1V78 G79 F80 H84 T85V78-G82 PolarHBondContact O-N 2.91Å; G79-G82 PolarHBondContact O-N 2.86Å; F80-G82 VanDerWaalsContact C-N 3.33Å; F80-G82 PolarHBondContact O-N 3.44Å; G82-H84 VanDerWaalsContact C-N 3.34Å; G82-T85 CarbonylContact O-C 3.55Å; G82-T85 VanDerWaalsContact O-O 3.06Å
83I65.2Low65.7Low141 Ų14171 Ų7172%0.72340%0.398SS*.Hα-helixtrans-66.8-39173-69.2163.6000110.7G79 F80 V81G79-I83 VanDerWaalsContact O-CG1 3.27Å; G79-I83 WeakPolarHBondContact O-CG1 3.17Å; G79-I83 PolarHBondContact O-N 3.35Å; F80-I83 PolarHBondContact O-N 2.87Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.42Å
84H67.2Low65.1Low128 Ų12869.5 Ų69.559%0.59339%0.385SS*.Hα-helixtrans-77.1-23-177.7-79.6-66.1000114.1F80 V81 G82F80-H84 AromaticContact CD1-CD2 3.92Å; F80-H84 AromaticContact CD2-NE2 3.93Å; F80-H84 AromaticContact CE1-CD2 3.59Å; F80-H84 AromaticContact CE1-NE2 3.77Å; F80-H84 AromaticContact CE2-CD2 3.68Å; F80-H84 AromaticContact CE2-NE2 3.22Å; F80-H84 WeakPolarHBondContact CE2-NE2 3.42Å; F80-H84 AromaticContact CZ-CD2 3.47Å; F80-H84 VanDerWaalsContact CZ-CD2 3.47Å; F80-H84 WeakPolarHBondContact CZ-CD2 3.43Å; F80-H84 AromaticContact CZ-NE2 3.13Å; F80-H84 WeakPolarHBondContact CZ-NE2 3.34Å; F80-H84 PolarHBondContact O-CD2 3.13Å; F80-H84 PolarHBondContact O-N 3.41Å; V81-H84 PolarHBondContact O-N 2.77Å; V81-H84 VanDerWaalsContact O-N 3.11Å; G82-H84 VanDerWaalsContact C-N 3.34Å
85T67Low64.6Low52 Ų5270.1 Ų70.132%0.31939%0.388SS..  trans-121.998.8179.155.80000109.6V81 G82 D87 L88V81-T85 PolarHBondContact O-N 3.45Å; V81-T85 PolarHBondContact O-OG1 2.83Å; G82-T85 CarbonylContact O-C 3.55Å; G82-T85 VanDerWaalsContact O-O 3.06Å; T85-D87 PolarHBondContact O-N 3.39Å; T85-L88 HydrophobicContact CG2-CD1 4.18Å; T85-L88 PolarHBondContact O-N 3.34Å; T85-L88 VanDerWaalsContact OG1-CB 3.28Å; T85-L88 WeakPolarHBondContact OG1-CB 3.39Å; T85-L88 WeakPolarHBondContact OG1-CD1 2.84Å; T85-L88 WeakPolarHBondContact OG1-CG 3.29Å
86S59.3Low64.3Low103 Ų10369.5 Ų69.572%0.7239%0.385SS*.G310 helixtrans-46.4-33.417851.10000113.5
87D61.4Low63.8Low70 Ų7067.7 Ų67.737%0.37437%0.371SS..G310 helixtrans-84.3-11.6-172.4-53.7-15.6000113.5T85T85-D87 PolarHBondContact O-N 3.39Å
88L60.9Low63.2Low50 Ų5065.1 Ų65.126%0.26236%0.361SS..G310 helixtrans-95.98.5-178.8-57.2-173000113.7F14 V81 T85 L90 V91 Y92F14-L88 HydrophobicContact CE1-CD2 3.76Å; F14-L88 HydrophobicContact CZ-CD2 3.46Å; F14-L88 VanDerWaalsContact CZ-CD2 3.46Å; V81-L88 HydrophobicContact CG1-CD1 4Å; T85-L88 HydrophobicContact CG2-CD1 4.18Å; T85-L88 PolarHBondContact O-N 3.34Å; T85-L88 VanDerWaalsContact OG1-CB 3.28Å; T85-L88 WeakPolarHBondContact OG1-CB 3.39Å; T85-L88 WeakPolarHBondContact OG1-CD1 2.84Å; T85-L88 WeakPolarHBondContact OG1-CG 3.29Å; L88-L90 PolarHBondContact O-N 3.47Å; L88-V91 HydrophobicContact CB-CB 4.42Å; L88-V91 HydrophobicContact CD2-CG2 4.17Å; L88-V91 WeakPolarHBondContact O-CA 3.19Å; L88-V91 WeakPolarHBondContact O-CB 3.22Å; L88-V91 PolarHBondContact O-N 3.39Å; L88-Y92 PolarHBondContact O-N 2.92Å
89C57.8Low62.7Low71 Ų7165.6 Ų65.648%0.4836%0.361SS..Hα-helixtrans-54-36.9175.3-177.10000112.2V91 Y92 L93C89-V91 PolarHBondContact O-N 2.78Å; C89-Y92 WeakPolarHBondContact O-CB 2.95Å; C89-Y92 PolarHBondContact O-N 3.38Å; C89-L93 WeakPolarHBondContact O-CG 3.31Å; C89-L93 PolarHBondContact O-N 2.9Å
90L58.2Low62.5Low77 Ų7768.1 Ų68.140%0.40337%0.37SS..Hα-helixtrans-64.3-38.5174.7-76173.2000112.9Y13 L88 Y92 L93 L94Y13-L90 HydrophobicContact CD1-CD1 4.18Å; Y13-L90 HydrophobicContact CD2-CD1 4.43Å; Y13-L90 HydrophobicContact CG-CD1 4.07Å; L88-L90 PolarHBondContact O-N 3.47Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; L90-L93 PolarHBondContact O-N 2.97Å; L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.15Å; L90-L94 PolarHBondContact O-N 2.71Å
91V62.9Low61.8Low43 Ų4364 Ų6426%0.26136%0.36SS..Hα-helixtrans-66.9-39.7175.4-179.80000110.2F14 L88 C89 L94 I95F14-V91 HydrophobicContact CE2-CG2 3.46Å; F14-V91 VanDerWaalsContact CE2-CG2 3.46Å; F14-V91 HydrophobicContact CZ-CG2 3.57Å; L88-V91 HydrophobicContact CB-CB 4.42Å; L88-V91 HydrophobicContact CD2-CG2 4.17Å; L88-V91 WeakPolarHBondContact O-CA 3.19Å; L88-V91 WeakPolarHBondContact O-CB 3.22Å; L88-V91 PolarHBondContact O-N 3.39Å; C89-V91 PolarHBondContact O-N 2.78Å; V91-L94 PolarHBondContact O-N 2.98Å; V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 HydrophobicContact CG1-CG1 4.3Å; V91-I95 WeakPolarHBondContact O-CB 3.16Å; V91-I95 VanDerWaalsContact O-CG1 3.28Å; V91-I95 WeakPolarHBondContact O-CG1 3.42Å; V91-I95 PolarHBondContact O-N 3.01Å
92Y61.4Low61.1Low78 Ų7864 Ų6431%0.30636%0.361SS..Hα-helixtrans-58.2-50.3172.6172.9-95.3000111.4V78 L88 C89 L90 L94 I95 L96V78-Y92 HydrophobicContact CG1-CD2 4.17Å; L88-Y92 PolarHBondContact O-N 2.92Å; C89-Y92 WeakPolarHBondContact O-CB 2.95Å; C89-Y92 PolarHBondContact O-N 3.38Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; Y92-L94 VanDerWaalsContact C-N 3.34Å; Y92-L94 PolarHBondContact O-N 3.39Å; Y92-I95 PolarHBondContact O-N 2.89Å; Y92-L96 HydrophobicContact CE1-CD1 3.73Å; Y92-L96 HydrophobicContact CE2-CD1 4.42Å; Y92-L96 WeakPolarHBondContact O-CB 3.48Å; Y92-L96 PolarHBondContact O-N 3.41Å; Y92-L96 WeakPolarHBondContact OH-CD1 3.32Å
93L62.3Low60.2Low83 Ų8365.4 Ų65.444%0.43537%0.365SS..Hα-helixtrans-61.7-41.2176.5-70.8177.2000112.1C89 L90 L96 V97C89-L93 WeakPolarHBondContact O-CG 3.31Å; C89-L93 PolarHBondContact O-N 2.9Å; L90-L93 PolarHBondContact O-N 2.97Å; L93-L96 PolarHBondContact O-N 2.98Å; L93-V97 WeakPolarHBondContact O-CB 3.4Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.94Å
94L62.5Low59.2Low27 Ų2764.6 Ų64.614%0.14136%0.361CS..Hα-helixtrans-62.7-47.2178.2-172.586000111.2L6 L7 L90 V91 Y92 V97 C98L6-L94 HydrophobicContact CB-CD1 3.55Å; L7-L94 HydrophobicContact CD2-CD1 4.05Å; L7-L94 HydrophobicContact CD2-CD2 3.77Å; L7-L94 HydrophobicContact CD2-CG 4.41Å; L7-L94 HydrophobicContact CG-CD1 4.11Å; L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.15Å; L90-L94 PolarHBondContact O-N 2.71Å; V91-L94 PolarHBondContact O-N 2.98Å; Y92-L94 VanDerWaalsContact C-N 3.34Å; Y92-L94 PolarHBondContact O-N 3.39Å; L94-V97 PolarHBondContact O-N 2.91Å; L94-C98 WeakPolarHBondContact O-CB 3.21Å; L94-C98 PolarHBondContact O-N 2.87Å; L94-C98 PolarHBondContact O-SG 3.32Å
95I63.7Low58Low44 Ų4464.7 Ų64.723%0.22636%0.362CS..Hα-helixtrans-65.3-46.3178.3-69.7172.5000109.6V78 V91 Y92 V97 C98 F99V78-I95 HydrophobicContact CG1-CB 4.47Å; V78-I95 HydrophobicContact CG1-CD1 3.74Å; V78-I95 HydrophobicContact CG1-CG2 4.43Å; V78-I95 HydrophobicContact CG2-CD1 3.98Å; V78-I95 HydrophobicContact CG2-CG2 4.49Å; V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 HydrophobicContact CG1-CG1 4.3Å; V91-I95 WeakPolarHBondContact O-CB 3.16Å; V91-I95 VanDerWaalsContact O-CG1 3.28Å; V91-I95 WeakPolarHBondContact O-CG1 3.42Å; V91-I95 PolarHBondContact O-N 3.01Å; Y92-I95 PolarHBondContact O-N 2.89Å; I95-V97 VanDerWaalsContact C-N 3.34Å; I95-V97 PolarHBondContact O-N 3.37Å; I95-C98 CarbonylContact O-C 3.48Å; I95-C98 PolarHBondContact O-N 3.02Å; I95-C98 VanDerWaalsContact O-N 3.13Å; I95-F99 HydrophobicContact CG2-CD2 3.53Å; I95-F99 HydrophobicContact CG2-CE2 3.77Å; I95-F99 WeakPolarHBondContact O-CB 3.28Å; I95-F99 WeakPolarHBondContact O-CD2 3.36Å; I95-F99 PolarHBondContact O-N 3.11Å
96L64.3Low57.2Low41 Ų4167.4 Ų67.422%0.21538%0.38CS..Hα-helixtrans-58.2-46.3178.1-171.9146.6000110.9L75 Y92 L93 F99 I100L75-L96 HydrophobicContact CD2-CD1 4.1Å; L75-L96 HydrophobicContact CD2-CG 4.44Å; Y92-L96 HydrophobicContact CE1-CD1 3.73Å; Y92-L96 HydrophobicContact CE2-CD1 4.42Å; Y92-L96 WeakPolarHBondContact O-CB 3.48Å; Y92-L96 PolarHBondContact O-N 3.41Å; Y92-L96 WeakPolarHBondContact OH-CD1 3.32Å; L93-L96 PolarHBondContact O-N 2.98Å; L96-F99 PolarHBondContact O-N 3.26Å; L96-I100 HydrophobicContact CD2-CD1 3.33Å; L96-I100 HydrophobicContact CD2-CG1 4.49Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 VanDerWaalsContact O-CB 3.26Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 WeakPolarHBondContact O-CD1 3.39Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.19Å
97V62.1Low56.9Low47 Ų4771.4 Ų71.429%0.28539%0.385SS..Hα-helixtrans-64.9-43.9173.9173.50000111.1L6 L93 L94 I95 F99 I100 A101L6-V97 HydrophobicContact CD1-CB 4.18Å; L6-V97 HydrophobicContact CD1-CG1 3.95Å; L6-V97 HydrophobicContact CD1-CG2 4.11Å; L93-V97 WeakPolarHBondContact O-CB 3.4Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.94Å; L94-V97 PolarHBondContact O-N 2.91Å; I95-V97 VanDerWaalsContact C-N 3.34Å; I95-V97 PolarHBondContact O-N 3.37Å; V97-F99 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 2.85Å; V97-I100 PolarHBondContact O-N 3.27Å; V97-A101 HydrophobicContact CG1-CB 4.31Å; V97-A101 WeakPolarHBondContact O-CA 3.31Å; V97-A101 WeakPolarHBondContact O-CB 3.35Å; V97-A101 PolarHBondContact O-N 3.48Å
98C60.6Low56.1Low51 Ų5169.6 Ų69.635%0.34538%0.382SS..Hα-helixtrans-66.8-28.8178.9-76.70000113.5L94 I95 P102L94-C98 WeakPolarHBondContact O-CB 3.21Å; L94-C98 PolarHBondContact O-N 2.87Å; L94-C98 PolarHBondContact O-SG 3.32Å; I95-C98 CarbonylContact O-C 3.48Å; I95-C98 PolarHBondContact O-N 3.02Å; I95-C98 VanDerWaalsContact O-N 3.13Å; C98-P102 WeakPolarHBondContact O-CD 3.45Å; C98-P102 WeakPolarHBondContact O-CG 3.25Å
99F58Low55.9Low41 Ų4170.1 Ų70.118%0.1838%0.384CS..Hα-helixtrans-80-37.2173.9-91.7-87.6000111.8V56 S71 L74 I95 L96 V97V56-F99 HydrophobicContact CG1-CE1 4.43Å; S71-F99 WeakPolarHBondContact OG-CD1 3.24Å; S71-F99 WeakPolarHBondContact OG-CE1 3.34Å; L74-F99 HydrophobicContact CB-CZ 4.48Å; L74-F99 HydrophobicContact CD1-CE1 4Å; L74-F99 HydrophobicContact CD1-CE2 4.39Å; L74-F99 HydrophobicContact CD1-CZ 3.47Å; L74-F99 VanDerWaalsContact CD1-CZ 3.47Å; I95-F99 HydrophobicContact CG2-CD2 3.53Å; I95-F99 HydrophobicContact CG2-CE2 3.77Å; I95-F99 WeakPolarHBondContact O-CB 3.28Å; I95-F99 WeakPolarHBondContact O-CD2 3.36Å; I95-F99 PolarHBondContact O-N 3.11Å; L96-F99 PolarHBondContact O-N 3.26Å; V97-F99 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 2.85Å
100I59.9Low55.7Low70 Ų7071 Ų7136%0.35938%0.384SS..Hα-helixtrans-77-46.3179.5-67.1172.4000111.2L96 V97 N103 L104 L110L96-I100 HydrophobicContact CD2-CD1 3.33Å; L96-I100 HydrophobicContact CD2-CG1 4.49Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 VanDerWaalsContact O-CB 3.26Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 WeakPolarHBondContact O-CD1 3.39Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.19Å; V97-I100 PolarHBondContact O-N 3.27Å; I100-N103 CarbonylContact O-C 3.47Å; I100-N103 PolarHBondContact O-N 3.49Å; I100-L104 HydrophobicContact CG2-CD1 3.63Å; I100-L104 WeakPolarHBondContact O-CD1 3.43Å; I100-L104 PolarHBondContact O-N 2.82Å; I100-L110 HydrophobicContact CG2-CD1 4.4Å
101A53.9Low55.6Low42 Ų4273.6 Ų73.635%0.34740%0.396SS..G310 helixtrans-57.5-46.8-169.600000114.9V97 N103 L104V97-A101 HydrophobicContact CG1-CB 4.31Å; V97-A101 WeakPolarHBondContact O-CA 3.31Å; V97-A101 WeakPolarHBondContact O-CB 3.35Å; V97-A101 PolarHBondContact O-N 3.48Å; A101-N103 PolarHBondContact O-N 3.07Å; A101-L104 PolarHBondContact O-N 3.44Å
102P50.7Low55.7Low67 Ų6775.5 Ų75.544%0.43541%0.407SS..G310 helixtrans-74.1-1117929.6-33.3000112.3R60 C98R60-P102 PolarHBondContact NH2-O 3.5Å; C98-P102 WeakPolarHBondContact O-CD 3.45Å; C98-P102 WeakPolarHBondContact O-CG 3.25Å
103N46Very low55.9Low48 Ų4875.3 Ų75.326%0.25741%0.411SS..G310 helixtrans-104.416.4175.3-106.3-8.7000113.8R60 I100 A101 H105R60-N103 VanDerWaalsContact NH2-CG 3.3Å; R60-N103 PolarHBondContact NH2-OD1 2.84Å; I100-N103 CarbonylContact O-C 3.47Å; I100-N103 PolarHBondContact O-N 3.49Å; A101-N103 PolarHBondContact O-N 3.07Å; N103-H105 PolarHBondContact O-N 3.47Å
104L44.2Very low56.2Low123 Ų12375.2 Ų75.264%0.64441%0.413SS*.  trans-70.614.4160.3-96.886.4000113.3I100 A101I100-L104 HydrophobicContact CG2-CD1 3.63Å; I100-L104 WeakPolarHBondContact O-CD1 3.43Å; I100-L104 PolarHBondContact O-N 2.82Å; A101-L104 PolarHBondContact O-N 3.44Å
105H40.7Very low56.4Low131 Ų13181.3 Ų81.361%0.60644%0.435SS*.SBendtrans-57.7129.6166.1-165.9-85.6000108.6N103 K107 G108N103-H105 PolarHBondContact O-N 3.47Å; H105-K107 PolarHBondContact O-N 3.26Å; H105-G108 PolarHBondContact O-N 3.49Å
106P51.3Low57Low108 Ų10884.3 Ų84.370%0.70145%0.45SS*.THydrogen-bonded Turntrans-69.721.2-163.325.5-35000116.2
107K52.6Low57.5Low188 Ų18887.6 Ų87.682%0.81747%0.467SS*.THydrogen-bonded Turntrans-134.45.5179.9-77.3-172.8174.8178.60116.5H105H105-K107 PolarHBondContact O-N 3.26Å
108G44.8Very low58.2Low31 Ų3193.1 Ų93.132%0.3248%0.483SS..SBendtrans-127.7120.2-170.600000115.1H105 L110H105-G108 PolarHBondContact O-N 3.49Å; G108-L110 VanDerWaalsContact C-N 3.28Å; G108-L110 PolarHBondContact O-N 3.5Å
109I56.4Low58.8Low61 Ų6196.6 Ų96.631%0.31349%0.49SS..SBendtrans65-51.2161.9-56.6164.8000116.9F68 M111 V112 I113F68-I109 HydrophobicContact CB-CD1 4.48Å; F68-I109 HydrophobicContact CD2-CD1 4.11Å; F68-I109 HydrophobicContact CD2-CG2 4.37Å; F68-I109 HydrophobicContact CE2-CG2 4.26Å; I109-M111 PolarHBondContact O-N 3.33Å; I109-V112 CarbonylContact O-C 3.54Å; I109-V112 WeakPolarHBondContact O-CA 3.27Å; I109-V112 WeakPolarHBondContact O-CB 3.01Å; I109-V112 PolarHBondContact O-N 3.28Å; I109-I113 HydrophobicContact CG2-CD1 3.63Å; I109-I113 HydrophobicContact CG2-CG1 4.13Å; I109-I113 WeakPolarHBondContact O-CG1 3.17Å; I109-I113 PolarHBondContact O-N 3.49Å
110L52.5Low59.5Low91 Ų9198 Ų9848%0.47650%0.503SS..Hα-helixtrans-70.2-37.4-177.6-153.2150.8000111.1I100 G108 V112 I113 V114I100-L110 HydrophobicContact CG2-CD1 4.4Å; G108-L110 VanDerWaalsContact C-N 3.28Å; G108-L110 PolarHBondContact O-N 3.5Å; L110-V112 PolarHBondContact O-N 3.23Å; L110-I113 PolarHBondContact O-N 3.28Å; L110-V114 HydrophobicContact CD2-CG2 3.68Å; L110-V114 VanDerWaalsContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.25Å; L110-V114 PolarHBondContact O-N 3.08Å
111M57Low60.3Low131 Ų13199.2 Ų99.265%0.64551%0.509SS*.Hα-helixtrans-59.7-38.4168.1-170.9-176.316200110.8I109 W115I109-M111 PolarHBondContact O-N 3.33Å; M111-W115 WeakPolarHBondContact O-CB 3.02Å; M111-W115 PolarHBondContact O-N 3.34Å
112V64.3Low61.4Low82 Ų8299.9 Ų99.950%0.49751%0.509SS..Hα-helixtrans-68.9-42.6177-179.50000111.3I109 L110 W115 I116I109-V112 CarbonylContact O-C 3.54Å; I109-V112 WeakPolarHBondContact O-CA 3.27Å; I109-V112 WeakPolarHBondContact O-CB 3.01Å; I109-V112 PolarHBondContact O-N 3.28Å; L110-V112 PolarHBondContact O-N 3.23Å; V112-W115 CarbonylContact O-C 3.57Å; V112-W115 PolarHBondContact O-N 3.49Å; V112-I116 HydrophobicContact CG1-CD1 3.67Å; V112-I116 HydrophobicContact CG1-CG1 4.21Å; V112-I116 WeakPolarHBondContact O-CB 3.48Å; V112-I116 WeakPolarHBondContact O-CG1 3.35Å; V112-I116 PolarHBondContact O-N 3.17Å
113I66.2Low62.7Low75 Ų7599.9 Ų99.939%0.38551%0.505SS..Hα-helixtrans-66.7-45.2177.9-68.5169.3000110.3I109 L110 W115 I116 L117I109-I113 HydrophobicContact CG2-CD1 3.63Å; I109-I113 HydrophobicContact CG2-CG1 4.13Å; I109-I113 WeakPolarHBondContact O-CG1 3.17Å; I109-I113 PolarHBondContact O-N 3.49Å; L110-I113 PolarHBondContact O-N 3.28Å; I113-W115 VanDerWaalsContact C-N 3.27Å; I113-W115 PolarHBondContact O-N 3.21Å; I113-I116 PolarHBondContact O-N 2.84Å; I113-L117 HydrophobicContact CG2-CD1 3.78Å; I113-L117 WeakPolarHBondContact O-CB 3.46Å; I113-L117 PolarHBondContact O-N 3.44Å
114V69.2Low64.2Low80 Ų80103.7 Ų103.749%0.48552%0.524SS..Hα-helixtrans-59.7-42.1172.8169.30000109.7L110 L117 W118L110-V114 HydrophobicContact CD2-CG2 3.68Å; L110-V114 VanDerWaalsContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.25Å; L110-V114 PolarHBondContact O-N 3.08Å; V114-L117 PolarHBondContact O-N 3.17Å; V114-W118 WeakPolarHBondContact O-CB 3.44Å; V114-W118 PolarHBondContact O-N 3.46Å
115W66.6Low65.8Low156 Ų156107.4 Ų107.459%0.59153%0.53SS*.Hα-helixtrans-66.2-42.9176.5-153.484.4000112M111 V112 I113 L117 W118 Y119M111-W115 WeakPolarHBondContact O-CB 3.02Å; M111-W115 PolarHBondContact O-N 3.34Å; V112-W115 CarbonylContact O-C 3.57Å; V112-W115 PolarHBondContact O-N 3.49Å; I113-W115 VanDerWaalsContact C-N 3.27Å; I113-W115 PolarHBondContact O-N 3.21Å; W115-L117 VanDerWaalsContact C-N 3.35Å; W115-L117 PolarHBondContact O-N 2.98Å; W115-W118 PolarHBondContact O-N 2.85Å; W115-Y119 AromaticContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CE2 4.09Å; W115-Y119 HydrophobicContact CZ2-CD2 4.38Å; W115-Y119 HydrophobicContact CZ3-CD2 4.08Å; W115-Y119 HydrophobicContact CZ3-CE2 4.47Å; W115-Y119 HydrophobicContact CZ3-CG 4.47Å; W115-Y119 WeakPolarHBondContact O-CB 3.38Å; W115-Y119 PolarHBondContact O-N 2.92Å
116I76.3Confident67.5Low106 Ų106104.3 Ų104.354%0.54452%0.523SS..Hα-helixtrans-64-36.9175.7-73167.5000111.4V112 I113 P120V112-I116 HydrophobicContact CG1-CD1 3.67Å; V112-I116 HydrophobicContact CG1-CG1 4.21Å; V112-I116 WeakPolarHBondContact O-CB 3.48Å; V112-I116 WeakPolarHBondContact O-CG1 3.35Å; V112-I116 PolarHBondContact O-N 3.17Å; I113-I116 PolarHBondContact O-N 2.84Å; I116-P120 WeakPolarHBondContact O-CD 3.34Å; I116-P120 WeakPolarHBondContact O-CG 3.47Å
117L73.9Confident68.6Low111 Ų111104.5 Ų104.558%0.58151%0.513SS*.Hα-helixtrans-75.7-37.5174.7-101.2121.8000111.8I113 V114 W115 P120 I121I113-L117 HydrophobicContact CG2-CD1 3.78Å; I113-L117 WeakPolarHBondContact O-CB 3.46Å; I113-L117 PolarHBondContact O-N 3.44Å; V114-L117 PolarHBondContact O-N 3.17Å; W115-L117 VanDerWaalsContact C-N 3.35Å; W115-L117 PolarHBondContact O-N 2.98Å; L117-P120 WeakPolarHBondContact O-CD 3.42Å; L117-P120 WeakPolarHBondContact O-CG 3.45Å; L117-I121 VanDerWaalsContact O-CD1 3.26Å; L117-I121 WeakPolarHBondContact O-CD1 3.41Å; L117-I121 VanDerWaalsContact O-CG1 3.3Å; L117-I121 WeakPolarHBondContact O-CG1 3.4Å
118W76.5Confident69.5Low163 Ų16398.6 Ų98.662%0.61750%0.499SS*.Hα-helixtrans-73.8-33.1-178.9-166.5-93.6000112.7V114 W115 I121 T122V114-W118 WeakPolarHBondContact O-CB 3.44Å; V114-W118 PolarHBondContact O-N 3.46Å; W115-W118 PolarHBondContact O-N 2.85Å; W118-I121 PolarHBondContact O-N 2.95Å; W118-T122 HydrophobicContact CG-CG2 4.44Å; W118-T122 WeakPolarHBondContact O-CG2 3.38Å; W118-T122 PolarHBondContact O-N 3.41Å; W118-T122 PolarHBondContact O-OG1 3.4Å
119Y72.9Confident70.7Confident123 Ų123100.8 Ų100.848%0.48251%0.51SS..Hα-helixtrans-60.2-51.7-179-166.3-103.9000114.1W115 I121 T122 I123W115-Y119 AromaticContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CE2 4.09Å; W115-Y119 HydrophobicContact CZ2-CD2 4.38Å; W115-Y119 HydrophobicContact CZ3-CD2 4.08Å; W115-Y119 HydrophobicContact CZ3-CE2 4.47Å; W115-Y119 HydrophobicContact CZ3-CG 4.47Å; W115-Y119 WeakPolarHBondContact O-CB 3.38Å; W115-Y119 PolarHBondContact O-N 2.92Å; Y119-I121 VanDerWaalsContact C-N 3.29Å; Y119-I121 PolarHBondContact O-N 3.2Å; Y119-T122 PolarHBondContact O-N 3.4Å; Y119-T122 PolarHBondContact O-OG1 2.79Å; Y119-I123 HydrophobicContact CD1-CD1 3.62Å; Y119-I123 HydrophobicContact CE1-CD1 3.28Å; Y119-I123 HydrophobicContact CE1-CG1 4.31Å; Y119-I123 HydrophobicContact CG-CD1 4.47Å; Y119-I123 WeakPolarHBondContact O-CG1 3.47Å; Y119-I123 PolarHBondContact O-N 2.8Å
120P73.6Confident71.2Confident70 Ų70105.8 Ų105.846%0.45553%0.529SS..Hα-helixtrans-65.8-32.417626.8-34.4000111.9I116 L117 T122 I123 L124I116-P120 WeakPolarHBondContact O-CD 3.34Å; I116-P120 WeakPolarHBondContact O-CG 3.47Å; L117-P120 WeakPolarHBondContact O-CD 3.42Å; L117-P120 WeakPolarHBondContact O-CG 3.45Å; P120-T122 VanDerWaalsContact C-N 3.33Å; P120-T122 PolarHBondContact O-N 2.65Å; P120-I123 PolarHBondContact O-N 2.97Å; P120-L124 VanDerWaalsContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.37Å; P120-L124 PolarHBondContact O-N 3.46Å
121I77.1Confident71.6Confident96 Ų96109.1 Ų109.149%0.49254%0.54SS..Hα-helixtrans-63.5-41.5175.3-64.2169.7000110.5L117 W118 Y119 L124 R125L117-I121 VanDerWaalsContact O-CD1 3.26Å; L117-I121 WeakPolarHBondContact O-CD1 3.41Å; L117-I121 VanDerWaalsContact O-CG1 3.3Å; L117-I121 WeakPolarHBondContact O-CG1 3.4Å; W118-I121 PolarHBondContact O-N 2.95Å; Y119-I121 VanDerWaalsContact C-N 3.29Å; Y119-I121 PolarHBondContact O-N 3.2Å; I121-L124 PolarHBondContact O-N 3.34Å; I121-R125 WeakPolarHBondContact O-CB 3.28Å; I121-R125 PolarHBondContact O-N 2.99Å
122T76.9Confident71.3Confident56 Ų56112.5 Ų112.534%0.34455%0.546SS..Hα-helixtrans-71.7-36.417754.90000112.6W118 Y119 P120 R125 S126W118-T122 HydrophobicContact CG-CG2 4.44Å; W118-T122 WeakPolarHBondContact O-CG2 3.38Å; W118-T122 PolarHBondContact O-N 3.41Å; W118-T122 PolarHBondContact O-OG1 3.4Å; Y119-T122 PolarHBondContact O-N 3.4Å; Y119-T122 PolarHBondContact O-OG1 2.79Å; P120-T122 VanDerWaalsContact C-N 3.33Å; P120-T122 PolarHBondContact O-N 2.65Å; T122-R125 PolarHBondContact O-N 3.34Å; T122-S126 WeakPolarHBondContact O-CB 3.36Å; T122-S126 PolarHBondContact O-N 3.46Å
123I77.6Confident70.7Confident68 Ų68113.9 Ų113.935%0.34956%0.557SS.*Hα-helixtrans-62.8-47171.2-70.4171.6000110.7Y119 P120 R125 S126 F127Y119-I123 HydrophobicContact CD1-CD1 3.62Å; Y119-I123 HydrophobicContact CE1-CD1 3.28Å; Y119-I123 HydrophobicContact CE1-CG1 4.31Å; Y119-I123 HydrophobicContact CG-CD1 4.47Å; Y119-I123 WeakPolarHBondContact O-CG1 3.47Å; Y119-I123 PolarHBondContact O-N 2.8Å; P120-I123 PolarHBondContact O-N 2.97Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 3.2Å; I123-S126 CarbonylContact O-C 3.58Å; I123-S126 WeakPolarHBondContact O-CB 3.4Å; I123-S126 PolarHBondContact O-N 2.78Å; I123-S126 VanDerWaalsContact O-N 3.09Å; I123-F127 HydrophobicContact CG2-CD2 3.81Å; I123-F127 HydrophobicContact CG2-CE2 4.13Å; I123-F127 PolarHBondContact O-N 3.36Å
124L77.5Confident70Confident128 Ų128119.9 Ų119.967%0.6757%0.574SS**Hα-helixtrans-60.5-41.5178.4-170.171.2000110.8P120 I121 S126 F127 A128P120-L124 VanDerWaalsContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.37Å; P120-L124 PolarHBondContact O-N 3.46Å; I121-L124 PolarHBondContact O-N 3.34Å; L124-S126 PolarHBondContact O-N 3.39Å; L124-F127 PolarHBondContact O-N 2.96Å; L124-A128 VanDerWaalsContact O-CB 3.29Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 2.96Å
125R78.3Confident69.3Low200 Ų200122.3 Ų122.376%0.75558%0.583SS**Hα-helixtrans-63.7-38.1174-175.9177.3171134.1-1.8112.6I121 T122 I123 S129I121-R125 WeakPolarHBondContact O-CB 3.28Å; I121-R125 PolarHBondContact O-N 2.99Å; T122-R125 PolarHBondContact O-N 3.34Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 3.2Å; R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.27Å
126S76Confident68.5Low66 Ų66118.8 Ų118.846%0.46258%0.58SS.*Hα-helixtrans-69.8-37.5175.6-173.90000112.3T122 I123 L124 S129 K130T122-S126 WeakPolarHBondContact O-CB 3.36Å; T122-S126 PolarHBondContact O-N 3.46Å; I123-S126 CarbonylContact O-C 3.58Å; I123-S126 WeakPolarHBondContact O-CB 3.4Å; I123-S126 PolarHBondContact O-N 2.78Å; I123-S126 VanDerWaalsContact O-N 3.09Å; L124-S126 PolarHBondContact O-N 3.39Å; S126-S129 PolarHBondContact O-N 2.83Å; S126-S129 PolarHBondContact O-OG 2.86Å; S126-K130 PolarHBondContact O-N 2.93Å; S126-K130 VanDerWaalsContact O-N 3.1Å
127F75.2Confident67.5Low112 Ų112122.2 Ų122.249%0.49159%0.586SS.*Hα-helixtrans-67.1-45.2172-98.8-88.5000111.6I123 L124 S129 K130 F131I123-F127 HydrophobicContact CG2-CD2 3.81Å; I123-F127 HydrophobicContact CG2-CE2 4.13Å; I123-F127 PolarHBondContact O-N 3.36Å; L124-F127 PolarHBondContact O-N 2.96Å; F127-S129 PolarHBondContact O-N 3.2Å; F127-K130 WeakPolarHBondContact O-CB 3.5Å; F127-K130 PolarHBondContact O-N 3.44Å; F127-K130 VanDerWaalsContact O-N 3.12Å; F127-F131 HydrophobicContact CD1-CD2 4.33Å; F127-F131 AromaticContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CE1-CE2 4.47Å; F127-F131 WeakPolarHBondContact O-CD2 3.2Å; F127-F131 PolarHBondContact O-N 2.87Å
128A70.3Confident66.6Low64 Ų64123.9 Ų123.953%0.52959%0.589SS.*Hα-helixtrans-60.8-34.317600000112.2L124 R132L124-A128 VanDerWaalsContact O-CB 3.29Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 2.96Å; A128-R132 PolarHBondContact O-N 3.47Å
129S69.4Low65.6Low77 Ų77121 Ų12154%0.53859%0.585SS.*Hα-helixtrans-73.5-31.8175.374.20000113.1R125 S126 F127 R132R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.27Å; S126-S129 PolarHBondContact O-N 2.83Å; S126-S129 PolarHBondContact O-OG 2.86Å; F127-S129 PolarHBondContact O-N 3.2Å; S129-R132 WeakPolarHBondContact O-CB 3.35Å; S129-R132 PolarHBondContact O-N 3.33Å
130K67.1Low65Low167 Ų167118.6 Ų118.673%0.72658%0.583SS**Hα-helixtrans-67.5-38.5170.7-87.7-176.9177.3-179.30112.8S126 F127 R132S126-K130 PolarHBondContact O-N 2.93Å; S126-K130 VanDerWaalsContact O-N 3.1Å; F127-K130 WeakPolarHBondContact O-CB 3.5Å; F127-K130 PolarHBondContact O-N 3.44Å; F127-K130 VanDerWaalsContact O-N 3.12Å; K130-R132 VanDerWaalsContact C-N 3.31Å
131F61.6Low64.3Low161 Ų161122.9 Ų122.971%0.70659%0.591SS**SBendtrans-85.4-0.5178.3-81.2-75.8000113.8F127 P133F127-F131 HydrophobicContact CD1-CD2 4.33Å; F127-F131 AromaticContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CE1-CE2 4.47Å; F127-F131 WeakPolarHBondContact O-CD2 3.2Å; F127-F131 PolarHBondContact O-N 2.87Å; F131-P133 WeakPolarHBondContact O-CD 3.48Å
132R50.3Low63.6Low201 Ų201123.5 Ų123.576%0.75859%0.594SS**SBendtrans-62110.5169.5-158.2178.1-162.4-164.84.3106.6A128 S129 K130 R134A128-R132 PolarHBondContact O-N 3.47Å; S129-R132 WeakPolarHBondContact O-CB 3.35Å; S129-R132 PolarHBondContact O-N 3.33Å; K130-R132 VanDerWaalsContact C-N 3.31Å; R132-R134 PolarHBondContact O-N 2.86Å
133P51.7Low62.9Low112 Ų112126.6 Ų126.673%0.72761%0.608SS**  trans-58.9110.5-179.423.6-31.3000106.2F131 I135F131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-I135 PolarHBondContact O-N 3.07Å
134R51.9Low62.2Low201 Ų201132 Ų13276%0.75862%0.624SS**  trans-65.793.4174.9-160.7-176.4-157.4-178.38.1104.1R132 P136R132-R134 PolarHBondContact O-N 2.86Å; R134-P136 WeakPolarHBondContact O-CA 3.16Å; R134-P136 VanDerWaalsContact O-CD 3.32Å; R134-P136 WeakPolarHBondContact O-CD 3.5Å
135I55.2Low61.6Low130 Ų130130.9 Ų130.967%0.66762%0.617SS**  trans-41.3110.9175.5-66164.3000105.6P133 R137 L139P133-I135 PolarHBondContact O-N 3.07Å; I135-R137 PolarHBondContact O-N 2.92Å; I135-R137 VanDerWaalsContact O-N 3.17Å; I135-L139 HydrophobicContact CG2-CD1 4.06Å
136P48.2Very low61.1Low82 Ų82125.2 Ų125.253%0.53261%0.609SS.*  trans-61129.1-166.818.6-29.6000107.9R134 F138 L139R134-P136 WeakPolarHBondContact O-CA 3.16Å; R134-P136 VanDerWaalsContact O-CD 3.32Å; R134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-F138 PolarHBondContact O-N 2.93Å; P136-L139 PolarHBondContact O-N 3.07Å
137R56.8Low60.7Low179 Ų179127.2 Ų127.268%0.67561%0.614SS**THydrogen-bonded Turntrans-54.7-6.8177.4-65.7180-174.7169-1.6113.3I135 L139 T140 R141I135-R137 PolarHBondContact O-N 2.92Å; I135-R137 VanDerWaalsContact O-N 3.17Å; R137-L139 VanDerWaalsContact C-N 3.31Å; R137-L139 PolarHBondContact O-N 3.42Å; R137-T140 WeakPolarHBondContact CA-OG1 3.34Å; R137-T140 PolarHBondContact O-N 3.35Å; R137-T140 PolarHBondContact O-OG1 3.28Å; R137-R141 PolarHBondContact O-N 2.77Å; R137-R141 VanDerWaalsContact O-N 3.14Å
138F54.6Low60.1Low146 Ų146130.4 Ų130.464%0.6462%0.623SS**Hα-helixtrans-57.1-41.5168.3-98.2-82.6000112.5P136 T140 R141 I142P136-F138 PolarHBondContact O-N 2.93Å; F138-T140 VanDerWaalsContact C-N 3.29Å; F138-T140 PolarHBondContact O-N 3.12Å; F138-R141 PolarHBondContact O-N 3.21Å; F138-I142 WeakPolarHBondContact O-CG1 3.31Å; F138-I142 PolarHBondContact O-N 3Å
139L54.6Low59.9Low101 Ų101132.2 Ų132.253%0.52962%0.624SS.*Hα-helixtrans-59.7-41174.9-89159.8000111.6I135 P136 R137 R141 L143I135-L139 HydrophobicContact CG2-CD1 4.06Å; P136-L139 PolarHBondContact O-N 3.07Å; R137-L139 VanDerWaalsContact C-N 3.31Å; R137-L139 PolarHBondContact O-N 3.42Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3.19Å; L139-L143 WeakPolarHBondContact O-CB 3Å; L139-L143 PolarHBondContact O-N 3.34Å; L139-L143 VanDerWaalsContact O-N 3.11Å
140T61.5Low59.7Low73 Ų73132.7 Ų132.745%0.44862%0.623SS.*Hα-helixtrans-69-23.9177.460.70000113.5R137 F138 R144R137-T140 WeakPolarHBondContact CA-OG1 3.34Å; R137-T140 PolarHBondContact O-N 3.35Å; R137-T140 PolarHBondContact O-OG1 3.28Å; F138-T140 VanDerWaalsContact C-N 3.29Å; F138-T140 PolarHBondContact O-N 3.12Å; T140-R144 WeakPolarHBondContact O-CB 3.29Å; T140-R144 PolarHBondContact O-N 2.97Å
141R58.4Low59.7Low160 Ų160130.2 Ų130.260%0.60462%0.618SS**Hα-helixtrans-85.7-38.4-179.7-151.5-172.8-76.8-179.9-4.2111.6R137 F138 L139 R144 I145R137-R141 PolarHBondContact O-N 2.77Å; R137-R141 VanDerWaalsContact O-N 3.14Å; F138-R141 PolarHBondContact O-N 3.21Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3.19Å; R141-R144 PolarHBondContact O-N 3.22Å; R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 3.07Å
142I61.9Low59.6Low110 Ų110130.2 Ų130.256%0.56462%0.618SS**Hα-helixtrans-63.8-45173.2-62.7170.2000110F138 R144 I145 S146F138-I142 WeakPolarHBondContact O-CG1 3.31Å; F138-I142 PolarHBondContact O-N 3Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.28Å; I142-I145 PolarHBondContact O-N 3.31Å; I142-S146 PolarHBondContact O-N 3.45Å
143L62.2Low60.2Low121 Ų121128 Ų12863%0.63462%0.621SS**Hα-helixtrans-58.7-38.1173.7-89.9156.8000112.5L139 S146 N147L139-L143 WeakPolarHBondContact O-CB 3Å; L139-L143 PolarHBondContact O-N 3.34Å; L139-L143 VanDerWaalsContact O-N 3.11Å; L143-S146 PolarHBondContact O-N 2.98Å; L143-N147 WeakPolarHBondContact O-CB 3.46Å; L143-N147 PolarHBondContact O-N 3.04Å
144R64Low60.3Low180 Ų180133.6 Ų133.668%0.67964%0.638SS**Hα-helixtrans-73.7-31.6179.8-156.7-176.4-61.8171.3-3.1113.2T140 R141 I142 R148T140-R144 WeakPolarHBondContact O-CB 3.29Å; T140-R144 PolarHBondContact O-N 2.97Å; R141-R144 PolarHBondContact O-N 3.22Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.28Å; R144-R148 WeakPolarHBondContact O-CB 3.28Å; R144-R148 PolarHBondContact O-N 3.32Å
145I64.6Low60.7Low105 Ų105130.3 Ų130.354%0.53863%0.632SS.*Hα-helixtrans-70.5-43.3173.1-68.2166.1000109.7R141 I142 N147 R148 N149R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 3.07Å; I142-I145 PolarHBondContact O-N 3.31Å; I145-N147 VanDerWaalsContact C-N 3.3Å; I145-N147 PolarHBondContact O-N 3.44Å; I145-R148 PolarHBondContact O-N 2.88Å; I145-N149 PolarHBondContact O-N 3.49Å
146S67.4Low61Low82 Ų82130.3 Ų130.357%0.57363%0.63SS**Hα-helixtrans-58.2-42.8175.8-166.80000111.9I142 L143 R148 T150I142-S146 PolarHBondContact O-N 3.45Å; L143-S146 PolarHBondContact O-N 2.98Å; S146-R148 VanDerWaalsContact C-N 3.33Å; S146-R148 PolarHBondContact O-N 3.47Å; S146-T150 PolarHBondContact O-OG1 2.76Å
147N67.2Low61.7Low108 Ų108132.9 Ų132.958%0.57864%0.635SS**Hα-helixtrans-73.6-22-177.8-154.363.9000113.9L143 I145 T150L143-N147 WeakPolarHBondContact O-CB 3.46Å; L143-N147 PolarHBondContact O-N 3.04Å; I145-N147 VanDerWaalsContact C-N 3.3Å; I145-N147 PolarHBondContact O-N 3.44Å; N147-T150 VanDerWaalsContact C-OG1 3.3Å; N147-T150 PolarHBondContact O-OG1 2.99Å
148R63.9Low62Low178 Ų178130.2 Ų130.267%0.67263%0.633SS**Hα-helixtrans-86.7-21.8-177.4-158.7179.3-177.4-172.61.1113.1R144 I145 S146R144-R148 WeakPolarHBondContact O-CB 3.28Å; R144-R148 PolarHBondContact O-N 3.32Å; I145-R148 PolarHBondContact O-N 2.88Å; S146-R148 VanDerWaalsContact C-N 3.33Å; S146-R148 PolarHBondContact O-N 3.47Å
149N64.5Low62.5Low103 Ų103129.3 Ų129.355%0.55163%0.632SS**Hα-helixtrans-73.3-34.6173.6-73.30.6000110.9I145 D151 K152I145-N149 PolarHBondContact O-N 3.49Å; N149-D151 VanDerWaalsContact C-N 3.3Å; N149-D151 PolarHBondContact O-N 3.21Å; N149-K152 PolarHBondContact O-N 3.3Å
150T66.1Low63Low86 Ų86131.1 Ų131.153%0.52864%0.639SS.*Hα-helixtrans-64.2-28.217623.20000114.4S146 N147S146-T150 PolarHBondContact O-OG1 2.76Å; N147-T150 VanDerWaalsContact C-OG1 3.3Å; N147-T150 PolarHBondContact O-OG1 2.99Å
151D66.2Low63.1Low116 Ų116135.3 Ų135.362%0.6265%0.653SS**THydrogen-bonded Turntrans-84.4-8179-80.9-21.2000113.9N149N149-D151 VanDerWaalsContact C-N 3.3Å; N149-D151 PolarHBondContact O-N 3.21Å
152K60.6Low63.5Low161 Ų161133.4 Ų133.470%0.766%0.657SS**THydrogen-bonded Turntrans-96.1-14.3178.8-78.2-169.7174.4-173.70114.1N149 Q154N149-K152 PolarHBondContact O-N 3.3Å; K152-Q154 VanDerWaalsContact C-N 3.32Å
153D62.2Low63.6Low154 Ų154135.3 Ų135.382%0.82466%0.664SS**  trans-95.913.5179.7-67.3-23.3000112.1
154Q54.4Low63.7Low230 Ų230136.6 Ų136.6100%1.07567%0.667SS**  trans-130.70177.7-156.9176.2-18.100111K152K152-Q154 VanDerWaalsContact C-N 3.32Å

Retrieved 154 of 154 residues in 331.4 ms (Link to these results)