A0A060WLP9_ONCMY Loading...

Potassium channel tetramerization domain containing 6b

AlphaFold DB (A0A673ZDX6), UniProt , Accession A0A060WLP9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene kctd6b, Length 237 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
1M37.2Very low43.3Very low236 Ų236144.2 Ų144.2100%1.16372%0.722SS**  0130.40-78.2166.2164.700107.1
2E41.7Very low46.2Very low172 Ų172143.5 Ų143.580%0.80472%0.723SS**  trans61.1122.7160.6-74.4174.8153.700117.2
3N35.8Very low49.6Very low147 Ų147140.2 Ų140.279%0.78672%0.718SS**  cis-145.2125.640.5-74.4-62.7000111D5N3-D5 PolarHBondContact O-N 2.67Å
4G38.4Very low52.7Low59 Ų59131.7 Ų131.761%0.60868%0.675SS**  trans-61.1119.2168.100000109.3W6G4-W6 PolarHBondContact O-N 2.71Å
5D40.7Very low55.6Low155 Ų155125.3 Ų125.383%0.82965%0.645SS**  trans-66.884.5168.8-174.421.2000108.3N3 G7N3-D5 PolarHBondContact O-N 2.67Å; D5-G7 PolarHBondContact O-N 3.32Å; D5-G7 PolarHBondContact OD1-N 2.89Å
6W43.9Very low58.2Low245 Ų245117.5 Ų117.593%0.92861%0.605SS**  trans-7551.9163.8-6491.6000109.1G4 H8G4-W6 PolarHBondContact O-N 2.71Å; W6-H8 PolarHBondContact O-N 3.11Å
7G38.3Very low60.5Low48 Ų48111.8 Ų111.850%0.49558%0.576SS.*  trans-62.384.6176.500000109.9D5 R9D5-G7 PolarHBondContact O-N 3.32Å; D5-G7 PolarHBondContact OD1-N 2.89Å; G7-R9 PolarHBondContact O-N 3.37Å
8H45.1Very low62.6Low143 Ų143105.6 Ų105.666%0.66254%0.544SS*.  trans-2.679.5148.2-118.7-64.9000114.3W6 M10W6-H8 PolarHBondContact O-N 3.11Å; H8-M10 WeakPolarHBondContact CE1-CE 3.47Å; H8-M10 WeakPolarHBondContact CE1-CG 3.34Å; H8-M10 PolarHBondContact CE1-SD 3.22Å; H8-M10 WeakPolarHBondContact ND1-CB 3.22Å; H8-M10 VanDerWaalsContact ND1-CE 3.3Å; H8-M10 WeakPolarHBondContact ND1-CE 3.35Å; H8-M10 WeakPolarHBondContact ND1-CG 3.39Å; H8-M10 PolarHBondContact O-N 3.49Å
9R46.2Very low64.4Low209 Ų209101.9 Ų101.979%0.78954%0.535SS*.  trans-73.958.5151.8-74-177.584.3-172.45108.1G7 T11G7-R9 PolarHBondContact O-N 3.37Å; R9-T11 PolarHBondContact O-N 2.89Å
10M47.3Very low66Low143 Ų14399.7 Ų99.770%0.70454%0.537SS*.  trans-68.686.1153.5-99-166.6-50.500105.4H8 N12H8-M10 WeakPolarHBondContact CE1-CE 3.47Å; H8-M10 WeakPolarHBondContact CE1-CG 3.34Å; H8-M10 PolarHBondContact CE1-SD 3.22Å; H8-M10 WeakPolarHBondContact ND1-CB 3.22Å; H8-M10 VanDerWaalsContact ND1-CE 3.3Å; H8-M10 WeakPolarHBondContact ND1-CE 3.35Å; H8-M10 WeakPolarHBondContact ND1-CG 3.39Å; H8-M10 PolarHBondContact O-N 3.49Å; M10-N12 PolarHBondContact O-N 2.91Å
11T62Low67.5Low29 Ų2998.8 Ų98.818%0.17853%0.53CS..  trans-60.9125.9173.456.30000107.2R9 S26 L27R9-T11 PolarHBondContact O-N 2.89Å; T11-S26 VanDerWaalsContact OG1-CB 3.24Å; T11-S26 WeakPolarHBondContact OG1-CB 3.24Å; T11-L27 HydrophobicContact CG2-CB 4.22Å; T11-L27 PolarHBondContact OG1-N 2.82Å
12N77.5Confident70.4Confident136 Ų13692.8 Ų92.873%0.72750%0.501SS*.  trans-43.6138179.3-71.8-28.1000111M10 V14M10-N12 PolarHBondContact O-N 2.91Å; N12-V14 PolarHBondContact O-N 3.26Å
13P90.1Very high73.1Confident101 Ų10186.4 Ų86.466%0.65647%0.47SS*.EExtended strand (participates in β ladder)trans-58.5135.2178.223.3-31.9000110.1T24 T25P13-T24 HydrophobicContact CB-CG2 3.76Å; P13-T25 CarbonylContact C-O 3.53Å; P13-T25 WeakPolarHBondContact CA-O 3.25Å
14V93.5Very high76Confident21 Ų2183.2 Ų83.213%0.12746%0.456CS..EExtended strand (participates in β ladder)trans-113130175.6178.20000107.5N12 L16 T24 T25 L30 F42 Y56N12-V14 PolarHBondContact O-N 3.26Å; V14-L16 HydrophobicContact CG1-CD2 4.36Å; V14-T24 WeakPolarHBondContact O-CA 3.47Å; V14-T25 PolarHBondContact N-O 3.36Å; V14-T25 PolarHBondContact O-N 2.95Å; V14-L30 HydrophobicContact CB-CD1 4.23Å; V14-L30 HydrophobicContact CG1-CD1 3.95Å; V14-F42 HydrophobicContact CG1-CE1 3.54Å; V14-F42 HydrophobicContact CG1-CZ 3.85Å; V14-Y56 HydrophobicContact CG1-CD2 3.83Å; V14-Y56 HydrophobicContact CG1-CE2 3.96Å
15T96.4Very high78.8Confident36 Ų3681 Ų8122%0.22143%0.431CS..EExtended strand (participates in β ladder)trans-104.7129175.1-57.90000110.5L22 Y23 T24 N55 Y56T15-L22 HydrophobicContact CG2-CD2 4.27Å; T15-Y23 CarbonylContact C-O 3.59Å; T15-Y23 WeakPolarHBondContact CA-O 3.41Å; T15-T24 PolarHBondContact OG1-OG1 3.5Å; T15-T24 VanDerWaalsContact OG1-OG1 3.12Å; T15-N55 WeakPolarHBondContact CB-OD1 3.41Å; T15-N55 HydrophobicContact CG2-CB 4.18Å; T15-N55 WeakPolarHBondContact CG2-OD1 3.31Å; T15-Y56 PolarHBondContact O-N 2.98Å
16L97.3Very high81.3Confident0 Ų075 Ų750%040%0.401CS..EExtended strand (participates in β ladder)trans-107.4138.4172.9-54.5177.7000108.9V14 V18 L22 Y23 L30 F42 Y56 F65V14-L16 HydrophobicContact CG1-CD2 4.36Å; L16-V18 HydrophobicContact CB-CG2 4.07Å; L16-L22 CarbonylContact O-C 3.5Å; L16-L22 WeakPolarHBondContact O-CA 3.45Å; L16-Y23 PolarHBondContact N-O 2.96Å; L16-Y23 PolarHBondContact O-N 3.38Å; L16-L30 HydrophobicContact CD1-CD1 4.42Å; L16-L30 HydrophobicContact CD1-CD2 3.8Å; L16-L30 HydrophobicContact CD2-CD1 4.31Å; L16-F42 HydrophobicContact CD2-CE2 3.88Å; L16-F42 HydrophobicContact CD2-CZ 3.53Å; L16-Y56 CarbonylContact C-O 3.56Å; L16-Y56 WeakPolarHBondContact CA-O 3.37Å; L16-Y56 HydrophobicContact CD2-CG 4.37Å; L16-F65 HydrophobicContact CD1-CE1 3.78Å; L16-F65 HydrophobicContact CD1-CZ 3.54Å
17N97.8Very high83.6Confident20 Ų2065.7 Ų65.711%0.10737%0.369CS..EExtended strand (participates in β ladder)trans-106.5105.3165.9-178.8-14.9000108G20 H21 L22 D51 N55 Y56 F57 I58N17-G20 WeakPolarHBondContact OD1-CA 3.44Å; N17-G20 PolarHBondContact OD1-N 2.89Å; N17-H21 WeakPolarHBondContact CA-O 3.38Å; N17-L22 HydrophobicContact CB-CD2 3.73Å; N17-D51 WeakPolarHBondContact CB-OD2 3.46Å; N17-D51 PolarHBondContact ND2-OD2 3.31Å; N17-N55 HydrophobicContact CB-CB 4.29Å; N17-Y56 PolarHBondContact N-O 3.39Å; N17-F57 HydrophobicContact CB-CD2 4.11Å; N17-F57 CarbonylContact O-C 3.53Å; N17-F57 WeakPolarHBondContact O-CA 3.45Å; N17-F57 WeakPolarHBondContact O-CD2 3.47Å; N17-I58 PolarHBondContact O-N 3.42Å
18V98.1Very high86.1Confident0 Ų066.3 Ų66.30%037%0.366CS..EExtended strand (participates in β ladder)trans-107.7101.1-177.2-170.50000108.8L16 G20 H21 Y23 I58 R60 G62 F65L16-V18 HydrophobicContact CB-CG2 4.07Å; V18-G20 PolarHBondContact O-N 3.34Å; V18-G20 VanDerWaalsContact O-N 3.15Å; V18-H21 PolarHBondContact N-O 2.99Å; V18-H21 WeakPolarHBondContact O-CB 3.23Å; V18-H21 PolarHBondContact O-N 3.5Å; V18-Y23 HydrophobicContact CB-CD2 4.46Å; V18-Y23 HydrophobicContact CG2-CD2 4.22Å; V18-I58 CarbonylContact C-O 3.59Å; V18-I58 VanDerWaalsContact CA-O 3.31Å; V18-I58 WeakPolarHBondContact CA-O 3.26Å; V18-I58 HydrophobicContact CG1-CB 4.4Å; V18-I58 HydrophobicContact CG1-CG2 4.41Å; V18-I58 HydrophobicContact CG2-CB 4.35Å; V18-I58 HydrophobicContact CG2-CD1 4.36Å; V18-R60 CarbonylContact C-O 3.49Å; V18-R60 HydrophobicContact CG1-CB 4Å; V18-G62 VanDerWaalsContact O-CA 3.22Å; V18-G62 WeakPolarHBondContact O-CA 3.49Å; V18-F65 HydrophobicContact CB-CB 4.41Å; V18-F65 HydrophobicContact CB-CD1 4.46Å; V18-F65 HydrophobicContact CB-CG 4.3Å; V18-F65 HydrophobicContact CG1-CB 3.99Å; V18-F65 HydrophobicContact CG1-CD2 4.24Å; V18-F65 HydrophobicContact CG1-CG 4.06Å; V18-F65 HydrophobicContact CG2-CD1 3.8Å; V18-F65 HydrophobicContact CG2-CD2 4.24Å; V18-F65 HydrophobicContact CG2-CE1 3.96Å; V18-F65 HydrophobicContact CG2-CE2 4.4Å; V18-F65 HydrophobicContact CG2-CG 3.93Å; V18-F65 HydrophobicContact CG2-CZ 4.26Å
19G96.7Very high88.5Confident37 Ų3760.4 Ų60.438%0.38134%0.34SS..THydrogen-bonded Turntrans53.934.8-177.400000113.8I58 R60G19-I58 PolarHBondContact N-O 3.13Å; G19-R60 VanDerWaalsContact CA-O 3.23Å; G19-R60 WeakPolarHBondContact CA-O 3.39Å; G19-R60 PolarHBondContact N-O 2.89Å
20G95.9Very high90.8Very high56 Ų5650.4 Ų50.458%0.57730%0.302SS*.THydrogen-bonded Turntrans93.9-8.2-176.500000115.3N17 V18N17-G20 WeakPolarHBondContact OD1-CA 3.44Å; N17-G20 PolarHBondContact OD1-N 2.89Å; V18-G20 PolarHBondContact O-N 3.34Å; V18-G20 VanDerWaalsContact O-N 3.15Å
21H98.1Very high92.9Very high82 Ų8246.2 Ų46.238%0.3828%0.281SS..EExtended strand (participates in β ladder)trans-93.7123178-64.170.8000110.9N17 V18 Y23N17-H21 WeakPolarHBondContact CA-O 3.38Å; V18-H21 PolarHBondContact N-O 2.99Å; V18-H21 WeakPolarHBondContact O-CB 3.23Å; V18-H21 PolarHBondContact O-N 3.5Å; H21-Y23 HydrophobicContact CB-CD2 4.26Å; H21-Y23 HydrophobicContact CB-CE2 3.67Å
22L98Very high94.3Very high109 Ų10950.9 Ų50.957%0.57130%0.295SS*.EExtended strand (participates in β ladder)trans-85.8124178.8-63.2179.9000111.4T15 L16 N17T15-L22 HydrophobicContact CG2-CD2 4.27Å; L16-L22 CarbonylContact O-C 3.5Å; L16-L22 WeakPolarHBondContact O-CA 3.45Å; N17-L22 HydrophobicContact CB-CD2 3.73Å
23Y98.2Very high95Very high38 Ų3846.7 Ų46.715%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-122125.7174.4-72.8-83.9000110.3T15 L16 V18 H21 G62 F65 R66 L69T15-Y23 CarbonylContact C-O 3.59Å; T15-Y23 WeakPolarHBondContact CA-O 3.41Å; L16-Y23 PolarHBondContact N-O 2.96Å; L16-Y23 PolarHBondContact O-N 3.38Å; V18-Y23 HydrophobicContact CB-CD2 4.46Å; V18-Y23 HydrophobicContact CG2-CD2 4.22Å; H21-Y23 HydrophobicContact CB-CD2 4.26Å; H21-Y23 HydrophobicContact CB-CE2 3.67Å; Y23-G62 WeakPolarHBondContact CE2-O 3.12Å; Y23-G62 VanDerWaalsContact CZ-O 3.25Å; Y23-G62 PolarHBondContact OH-O 2.78Å; Y23-F65 HydrophobicContact CD1-CD1 4.24Å; Y23-F65 AromaticContact CD2-CD1 3.5Å; Y23-F65 HydrophobicContact CD2-CD1 3.5Å; Y23-F65 VanDerWaalsContact CD2-CD1 3.5Å; Y23-F65 HydrophobicContact CD2-CE1 4.1Å; Y23-F65 HydrophobicContact CD2-CG 4.48Å; Y23-F65 HydrophobicContact CE1-CD1 4.43Å; Y23-F65 HydrophobicContact CE2-CB 4.11Å; Y23-F65 AromaticContact CE2-CD1 3.71Å; Y23-F65 HydrophobicContact CE2-CD1 3.71Å; Y23-F65 HydrophobicContact CE2-CG 4.36Å; Y23-F65 AromaticContact CG-CD1 3.77Å; Y23-F65 HydrophobicContact CG-CD1 3.77Å; Y23-F65 HydrophobicContact CG-CE1 4.05Å; Y23-R66 HydrophobicContact CE1-CB 4.11Å; Y23-R66 WeakPolarHBondContact OH-CB 3.48Å; Y23-R66 PolarHBondContact OH-N 2.9Å; Y23-L69 HydrophobicContact CD1-CD2 3.6Å; Y23-L69 HydrophobicContact CE1-CD2 4.43Å; Y23-L69 HydrophobicContact CG-CD2 4.14Å
24T96.9Very high95Very high80 Ų8044.6 Ų44.649%0.49126%0.256SS..EExtended strand (participates in β ladder)trans-106.6130.8172.3-55.20000110P13 V14 T15 R73P13-T24 HydrophobicContact CB-CG2 3.76Å; V14-T24 WeakPolarHBondContact O-CA 3.47Å; T15-T24 PolarHBondContact OG1-OG1 3.5Å; T15-T24 VanDerWaalsContact OG1-OG1 3.12Å; T24-R73 PolarHBondContact O-NH2 3.02Å
25T96.3Very high94.9Very high14 Ų1450.6 Ų50.69%0.08629%0.288CS..EExtended strand (participates in β ladder)trans-151-173.2179.9-1630000110.9P13 V14 T29 L30 L69P13-T25 CarbonylContact C-O 3.53Å; P13-T25 WeakPolarHBondContact CA-O 3.25Å; V14-T25 PolarHBondContact N-O 3.36Å; V14-T25 PolarHBondContact O-N 2.95Å; T25-T29 WeakPolarHBondContact OG1-CB 3.47Å; T25-L30 HydrophobicContact CG2-CD1 3.86Å; T25-L30 HydrophobicContact CG2-CD2 3.73Å; T25-L30 HydrophobicContact CG2-CG 3.64Å; T25-L69 HydrophobicContact CG2-CD1 3.95Å
26S94.3Very high94.8Very high27 Ų2749 Ų4919%0.18928%0.278CS..EExtended strand (participates in β ladder)trans-101.1153.8179.780.50000111.2T11 S28 T29 L30T11-S26 VanDerWaalsContact OG1-CB 3.24Å; T11-S26 WeakPolarHBondContact OG1-CB 3.24Å; S26-S28 PolarHBondContact O-N 3.29Å; S26-S28 PolarHBondContact OG-OG 3.21Å; S26-T29 PolarHBondContact O-N 3.07Å; S26-T29 VanDerWaalsContact O-N 3.16Å; S26-T29 PolarHBondContact OG-N 3.38Å; S26-T29 VanDerWaalsContact OG-N 3.1Å; S26-T29 PolarHBondContact OG-OG1 3.48Å; S26-T29 VanDerWaalsContact OG-OG1 3.08Å; S26-L30 PolarHBondContact O-N 3.46Å
27L91.6Very high94.6Very high50 Ų5051.6 Ų51.626%0.26229%0.291SS..Hα-helixtrans-59.2-36.6173.5-169.970.2000111.2T11 T29 L30 Q31 F42T11-L27 HydrophobicContact CG2-CB 4.22Å; T11-L27 PolarHBondContact OG1-N 2.82Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 3.39Å; L27-L30 PolarHBondContact O-N 2.86Å; L27-Q31 HydrophobicContact CD1-CG 4.43Å; L27-Q31 HydrophobicContact CG-CG 4.29Å; L27-Q31 WeakPolarHBondContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.27Å; L27-Q31 PolarHBondContact O-N 3.46Å; L27-F42 HydrophobicContact CD1-CB 3.73Å; L27-F42 HydrophobicContact CD1-CD1 3.65Å; L27-F42 HydrophobicContact CD1-CG 4.01Å
28S91.6Very high94.4Very high62 Ų6250.7 Ų50.743%0.43429%0.286SS..Hα-helixtrans-61.8-33.6177.355.10000113.4S26 R32S26-S28 PolarHBondContact O-N 3.29Å; S26-S28 PolarHBondContact OG-OG 3.21Å; S28-R32 PolarHBondContact O-N 3.14Å
29T94.2Very high94.1Very high18 Ų1850.7 Ų50.711%0.1129%0.286CS..Hα-helixtrans-69.2-47.8173.1-650000111.1T25 S26 L27 Q31 R32 L69 L72 R73T25-T29 WeakPolarHBondContact OG1-CB 3.47Å; S26-T29 PolarHBondContact O-N 3.07Å; S26-T29 VanDerWaalsContact O-N 3.16Å; S26-T29 PolarHBondContact OG-N 3.38Å; S26-T29 VanDerWaalsContact OG-N 3.1Å; S26-T29 PolarHBondContact OG-OG1 3.48Å; S26-T29 VanDerWaalsContact OG-OG1 3.08Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 3.39Å; T29-Q31 PolarHBondContact O-N 3.1Å; T29-R32 WeakPolarHBondContact O-CB 3.32Å; T29-R32 PolarHBondContact O-N 2.95Å; T29-R32 VanDerWaalsContact O-N 3.16Å; T29-L69 HydrophobicContact CG2-CD1 3.87Å; T29-L72 HydrophobicContact CG2-CB 3.62Å; T29-R73 HydrophobicContact CG2-CG 3.74Å
30L94.1Very high93.7Very high0 Ų049.3 Ų49.30%027%0.271CS..Hα-helixtrans-65.8-28.9-178.3-61.9174000112.6V14 L16 T25 S26 L27 L38 G39 F42 L72V14-L30 HydrophobicContact CB-CD1 4.23Å; V14-L30 HydrophobicContact CG1-CD1 3.95Å; L16-L30 HydrophobicContact CD1-CD1 4.42Å; L16-L30 HydrophobicContact CD1-CD2 3.8Å; L16-L30 HydrophobicContact CD2-CD1 4.31Å; T25-L30 HydrophobicContact CG2-CD1 3.86Å; T25-L30 HydrophobicContact CG2-CD2 3.73Å; T25-L30 HydrophobicContact CG2-CG 3.64Å; S26-L30 PolarHBondContact O-N 3.46Å; L27-L30 PolarHBondContact O-N 2.86Å; L30-L38 HydrophobicContact CD2-CD1 4.45Å; L30-L38 CarbonylContact O-C 3.59Å; L30-G39 PolarHBondContact O-N 3.34Å; L30-F42 HydrophobicContact CB-CD2 4.07Å; L30-F42 HydrophobicContact CB-CG 4.34Å; L30-F42 HydrophobicContact CD1-CD1 4.22Å; L30-F42 HydrophobicContact CD1-CD2 3.85Å; L30-F42 HydrophobicContact CD1-CE1 4Å; L30-F42 HydrophobicContact CD1-CE2 3.63Å; L30-F42 HydrophobicContact CD1-CG 4.16Å; L30-F42 HydrophobicContact CD1-CZ 3.71Å; L30-F42 HydrophobicContact CG-CD2 4.49Å; L30-L72 HydrophobicContact CD2-CD1 4.45Å
31Q91.9Very high93.4Very high54 Ų5447.4 Ų47.425%0.25225%0.247SC..THydrogen-bonded Turntrans-94.57.7177.2-65.9179.8-15.200114L27 T29 Y33 F42L27-Q31 HydrophobicContact CD1-CG 4.43Å; L27-Q31 HydrophobicContact CG-CG 4.29Å; L27-Q31 WeakPolarHBondContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.27Å; L27-Q31 PolarHBondContact O-N 3.46Å; T29-Q31 PolarHBondContact O-N 3.1Å; Q31-Y33 PolarHBondContact O-N 3.3Å; Q31-F42 HydrophobicContact CG-CB 4.21Å; Q31-F42 PolarHBondContact NE2-O 3.36Å
32R92.4Very high92.9Very high128 Ų12844.5 Ų44.548%0.48323%0.233SC..SBendtrans-55.2-39.4-179.3171.1129.6-68.7-179.1-4.3112.2S28 T29 P34 L72 R73S28-R32 PolarHBondContact O-N 3.14Å; T29-R32 WeakPolarHBondContact O-CB 3.32Å; T29-R32 PolarHBondContact O-N 2.95Å; T29-R32 VanDerWaalsContact O-N 3.16Å; R32-P34 WeakPolarHBondContact O-CD 3.44Å; R32-L72 VanDerWaalsContact CD-O 3.31Å; R32-L72 WeakPolarHBondContact CD-O 3.38Å; R32-R73 PolarHBondContact NH1-O 2.95Å
33Y92.5Very high92.2Very high47 Ų4745 Ų4518%0.18423%0.228CC..SBendtrans-112.495172.5-59-72.9000108.5Q31 D35 S36 F71 L72 S75 I98 P100Q31-Y33 PolarHBondContact O-N 3.3Å; Y33-D35 PolarHBondContact O-N 3.45Å; Y33-S36 VanDerWaalsContact O-CB 3.31Å; Y33-S36 WeakPolarHBondContact O-CB 3.48Å; Y33-S36 PolarHBondContact O-N 3.03Å; Y33-S36 PolarHBondContact O-OG 2.86Å; Y33-F71 AromaticContact CE2-CD1 3.91Å; Y33-F71 HydrophobicContact CE2-CD1 3.91Å; Y33-F71 AromaticContact CE2-CE1 3.6Å; Y33-F71 HydrophobicContact CE2-CE1 3.6Å; Y33-F71 AromaticContact CZ-CE1 3.7Å; Y33-F71 VanDerWaalsContact OH-CE1 3.31Å; Y33-F71 WeakPolarHBondContact OH-CE1 3.5Å; Y33-L72 HydrophobicContact CD2-CD2 3.5Å; Y33-L72 VanDerWaalsContact CD2-CD2 3.5Å; Y33-L72 HydrophobicContact CE2-CD2 3.9Å; Y33-S75 WeakPolarHBondContact OH-CB 3.49Å; Y33-S75 PolarHBondContact OH-OG 3.28Å; Y33-I98 HydrophobicContact CD2-CG2 3.85Å; Y33-I98 HydrophobicContact CE2-CG2 4.1Å; Y33-I98 HydrophobicContact CG-CG2 4.39Å; Y33-P100 HydrophobicContact CD1-CG 3.98Å; Y33-P100 HydrophobicContact CE1-CB 4.23Å; Y33-P100 HydrophobicContact CE1-CG 3.66Å
34P90.3Very high91.2Very high58 Ų5846.3 Ų46.338%0.37725%0.252SS..THydrogen-bonded Turntrans-61.5-27.5-174.2-24.134.5000113.6R32 S36 R43R32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-S36 VanDerWaalsContact C-N 3.28Å; P34-R43 PolarHBondContact O-NH1 3.04Å; P34-R43 VanDerWaalsContact O-NH1 3.08Å; P34-R43 PolarHBondContact O-NH2 3.02Å; P34-R43 VanDerWaalsContact O-NH2 3.1Å
35D90.2Very high90.1Very high147 Ų14746.9 Ų46.979%0.78625%0.252SS*.THydrogen-bonded Turntrans-83.7-4.2-179.5-54.7-37.4000113.1Y33Y33-D35 PolarHBondContact O-N 3.45Å
36S94.3Very high88.9Confident3 Ų352 Ų522%0.02127%0.274CS..SBendtrans-76.3162.2173.572.80000112Y33 P34 L38 G39 A40 Y96 L97Y33-S36 VanDerWaalsContact O-CB 3.31Å; Y33-S36 WeakPolarHBondContact O-CB 3.48Å; Y33-S36 PolarHBondContact O-N 3.03Å; Y33-S36 PolarHBondContact O-OG 2.86Å; P34-S36 VanDerWaalsContact C-N 3.28Å; S36-L38 VanDerWaalsContact C-N 3.28Å; S36-L38 PolarHBondContact O-N 3.36Å; S36-G39 PolarHBondContact O-N 3.12Å; S36-G39 VanDerWaalsContact O-N 3.14Å; S36-G39 PolarHBondContact OG-N 3.18Å; S36-A40 PolarHBondContact O-N 3.28Å; S36-Y96 WeakPolarHBondContact CB-O 3.28Å; S36-L97 WeakPolarHBondContact CA-O 3.25Å; S36-L97 WeakPolarHBondContact CB-O 3.4Å
37M93.6Very high87.9Confident54 Ų5456.8 Ų56.827%0.26630%0.304SS..Hα-helixtrans-55.1-45173.8-176.4-147.317400111.2A40 M41 F95 Y96 L97M37-A40 PolarHBondContact O-N 3.26Å; M37-M41 VanDerWaalsContact O-CB 3.23Å; M37-M41 WeakPolarHBondContact O-CB 3.13Å; M37-M41 PolarHBondContact O-N 2.98Å; M37-F95 HydrophobicContact CE-CE1 4.01Å; M37-F95 HydrophobicContact CE-CZ 3.99Å; M37-F95 HydrophobicContact SD-CD1 4.16Å; M37-F95 HydrophobicContact SD-CE1 3.56Å; M37-F95 VanDerWaalsContact SD-CE1 3.56Å; M37-F95 HydrophobicContact SD-CZ 4.02Å; M37-Y96 VanDerWaalsContact CB-O 3.31Å; M37-Y96 WeakPolarHBondContact CB-O 3.37Å; M37-Y96 PolarHBondContact N-O 2.84Å; M37-Y96 HydrophobicContact SD-CD1 4.12Å; M37-L97 HydrophobicContact CB-CD1 4.43Å
38L93.3Very high87.5Confident0 Ų056.9 Ų56.90%031%0.306CS..Hα-helixtrans-67-38.3178.9-66.4171.9000111.5L30 S36 M41 F42 I58 F65 L72 Y96L30-L38 HydrophobicContact CD2-CD1 4.45Å; L30-L38 CarbonylContact O-C 3.59Å; S36-L38 VanDerWaalsContact C-N 3.28Å; S36-L38 PolarHBondContact O-N 3.36Å; L38-M41 HydrophobicContact CD2-SD 4.43Å; L38-M41 PolarHBondContact O-N 3.43Å; L38-F42 WeakPolarHBondContact O-CD2 3.1Å; L38-F42 PolarHBondContact O-N 3.13Å; L38-F42 VanDerWaalsContact O-N 3.1Å; L38-I58 HydrophobicContact CD2-CD1 3.87Å; L38-F65 HydrophobicContact CD1-CE2 4.16Å; L38-F65 HydrophobicContact CD1-CZ 4.37Å; L38-L72 HydrophobicContact CD1-CD1 3.71Å; L38-Y96 HydrophobicContact CD1-CD1 3.98Å; L38-Y96 HydrophobicContact CD1-CG 4.37Å; L38-Y96 HydrophobicContact CD2-CD1 4.13Å; L38-Y96 HydrophobicContact CD2-CE1 4.37Å; L38-Y96 HydrophobicContact CG-CD1 3.9Å
39G91.1Very high87.5Confident0 Ų058.2 Ų58.20%031%0.312CS..Hα-helixtrans-56.7-51.8172.600000111.4L30 S36 F42 R43L30-G39 PolarHBondContact O-N 3.34Å; S36-G39 PolarHBondContact O-N 3.12Å; S36-G39 VanDerWaalsContact O-N 3.14Å; S36-G39 PolarHBondContact OG-N 3.18Å; G39-F42 PolarHBondContact O-N 3.42Å; G39-R43 WeakPolarHBondContact O-CG 2.84Å; G39-R43 PolarHBondContact O-N 2.93Å
40A89.1Confident87.4Confident8 Ų863.5 Ų63.57%0.06633%0.33CS..Hα-helixtrans-66.3-41.9179.800000112.9S36 M37 F42 R43 G44 D45 F46S36-A40 PolarHBondContact O-N 3.28Å; M37-A40 PolarHBondContact O-N 3.26Å; A40-F42 VanDerWaalsContact C-N 3.26Å; A40-F42 PolarHBondContact O-N 3.45Å; A40-R43 PolarHBondContact O-N 3.26Å; A40-G44 PolarHBondContact O-N 3.21Å; A40-D45 HydrophobicContact CB-CB 4.14Å; A40-D45 WeakPolarHBondContact O-CB 3.33Å; A40-D45 PolarHBondContact O-N 2.82Å; A40-F46 HydrophobicContact CB-CD2 3.5Å; A40-F46 HydrophobicContact CB-CE2 3.46Å; A40-F46 VanDerWaalsContact CB-CE2 3.46Å
41M89.2Confident87.4Confident16 Ų1664.8 Ų64.88%0.07934%0.337CS..Hα-helixtrans-54.7-42.4176.3-172.4-178.1170.300112M37 L38 T48 Y56 I58M37-M41 VanDerWaalsContact O-CB 3.23Å; M37-M41 WeakPolarHBondContact O-CB 3.13Å; M37-M41 PolarHBondContact O-N 2.98Å; L38-M41 HydrophobicContact CD2-SD 4.43Å; L38-M41 PolarHBondContact O-N 3.43Å; M41-T48 HydrophobicContact CE-CG2 3.5Å; M41-T48 VanDerWaalsContact CE-CG2 3.5Å; M41-T48 HydrophobicContact CG-CG2 3.36Å; M41-T48 HydrophobicContact SD-CG2 4.26Å; M41-Y56 HydrophobicContact CE-CD1 3.63Å; M41-Y56 HydrophobicContact CE-CG 4.18Å; M41-I58 HydrophobicContact SD-CD1 4.49Å
42F87.4Confident87.5Confident21 Ų2166.9 Ų66.99%0.09236%0.364CS..Hα-helixtrans-94.7-2-177.2-77.2-82.2000114.4V14 L16 L27 L30 Q31 L38 G39 A40 Y56V14-F42 HydrophobicContact CG1-CE1 3.54Å; V14-F42 HydrophobicContact CG1-CZ 3.85Å; L16-F42 HydrophobicContact CD2-CE2 3.88Å; L16-F42 HydrophobicContact CD2-CZ 3.53Å; L27-F42 HydrophobicContact CD1-CB 3.73Å; L27-F42 HydrophobicContact CD1-CD1 3.65Å; L27-F42 HydrophobicContact CD1-CG 4.01Å; L30-F42 HydrophobicContact CB-CD2 4.07Å; L30-F42 HydrophobicContact CB-CG 4.34Å; L30-F42 HydrophobicContact CD1-CD1 4.22Å; L30-F42 HydrophobicContact CD1-CD2 3.85Å; L30-F42 HydrophobicContact CD1-CE1 4Å; L30-F42 HydrophobicContact CD1-CE2 3.63Å; L30-F42 HydrophobicContact CD1-CG 4.16Å; L30-F42 HydrophobicContact CD1-CZ 3.71Å; L30-F42 HydrophobicContact CG-CD2 4.49Å; Q31-F42 HydrophobicContact CG-CB 4.21Å; Q31-F42 PolarHBondContact NE2-O 3.36Å; L38-F42 WeakPolarHBondContact O-CD2 3.1Å; L38-F42 PolarHBondContact O-N 3.13Å; L38-F42 VanDerWaalsContact O-N 3.1Å; G39-F42 PolarHBondContact O-N 3.42Å; A40-F42 VanDerWaalsContact C-N 3.26Å; A40-F42 PolarHBondContact O-N 3.45Å; F42-Y56 HydrophobicContact CE1-CD1 4.23Å; F42-Y56 AromaticContact CE1-CD2 3.73Å; F42-Y56 HydrophobicContact CE1-CD2 3.73Å; F42-Y56 AromaticContact CE1-CE1 3.99Å; F42-Y56 HydrophobicContact CE1-CE1 3.99Å; F42-Y56 AromaticContact CE1-CE2 3.5Å; F42-Y56 HydrophobicContact CE1-CE2 3.5Å; F42-Y56 VanDerWaalsContact CE1-CE2 3.5Å; F42-Y56 HydrophobicContact CE1-CG 4.08Å; F42-Y56 AromaticContact CE1-CZ 3.6Å; F42-Y56 AromaticContact CZ-CD1 3.99Å; F42-Y56 HydrophobicContact CZ-CD1 3.99Å; F42-Y56 AromaticContact CZ-CD2 3.72Å; F42-Y56 HydrophobicContact CZ-CD2 3.72Å; F42-Y56 HydrophobicContact CZ-CE1 4.21Å; F42-Y56 AromaticContact CZ-CE2 3.99Å; F42-Y56 HydrophobicContact CZ-CE2 3.99Å; F42-Y56 AromaticContact CZ-CG 3.71Å; F42-Y56 HydrophobicContact CZ-CG 3.71Å
43R83.8Confident87.5Confident121 Ų12167.7 Ų67.746%0.45737%0.373SS..Hα-helixtrans-84.5-14.1162.6-75.9-171.3-48.4-149.3-4.9112.8P34 G39 A40 D45P34-R43 PolarHBondContact O-NH1 3.04Å; P34-R43 VanDerWaalsContact O-NH1 3.08Å; P34-R43 PolarHBondContact O-NH2 3.02Å; P34-R43 VanDerWaalsContact O-NH2 3.1Å; G39-R43 WeakPolarHBondContact O-CG 2.84Å; G39-R43 PolarHBondContact O-N 2.93Å; A40-R43 PolarHBondContact O-N 3.26Å; R43-D45 IonicContact CZ-OD2 2.8Å; R43-D45 VanDerWaalsContact CZ-OD2 3.32Å; R43-D45 IonicContact NE-OD2 2.87Å; R43-D45 PolarHBondContact NE-OD2 3.48Å; R43-D45 IonicContact NH2-OD2 3.91Å; R43-D45 PolarHBondContact NH2-OD2 3.16Å
44G78.3Confident87.5Confident64 Ų6467 Ų6766%0.6638%0.38SS*.THydrogen-bonded Turntrans92.212.3-17600000113.6A40 F46A40-G44 PolarHBondContact O-N 3.21Å; G44-F46 VanDerWaalsContact C-N 3.26Å; G44-F46 PolarHBondContact O-N 2.88Å
45D73.4Confident87.7Confident92 Ų9265.6 Ų65.649%0.49237%0.369SS..  trans-77.3-14.2-178.2-55.3-30.6000112.1A40 R43A40-D45 HydrophobicContact CB-CB 4.14Å; A40-D45 WeakPolarHBondContact O-CB 3.33Å; A40-D45 PolarHBondContact O-N 2.82Å; R43-D45 IonicContact CZ-OD2 2.8Å; R43-D45 VanDerWaalsContact CZ-OD2 3.32Å; R43-D45 IonicContact NE-OD2 2.87Å; R43-D45 PolarHBondContact NE-OD2 3.48Å; R43-D45 IonicContact NH2-OD2 3.91Å; R43-D45 PolarHBondContact NH2-OD2 3.16Å
46F70.6Confident87.9Confident123 Ų12361 Ų6154%0.53934%0.341SS..SBendtrans-132.7146.4-175.7-76.3-89.5000113.2A40 G44A40-F46 HydrophobicContact CB-CD2 3.5Å; A40-F46 HydrophobicContact CB-CE2 3.46Å; A40-F46 VanDerWaalsContact CB-CE2 3.46Å; G44-F46 VanDerWaalsContact C-N 3.26Å; G44-F46 PolarHBondContact O-N 2.88Å
47P73.4Confident88Confident127 Ų12764 Ų6483%0.82535%0.354SS*.  trans-63.5136.1168.725.6-30.8000110.4
48T83Confident88.1Confident51 Ų5161.8 Ų61.831%0.31334%0.343SS..  trans-116.6132.8-178.657.80000111M41 Y56M41-T48 HydrophobicContact CE-CG2 3.5Å; M41-T48 VanDerWaalsContact CE-CG2 3.5Å; M41-T48 HydrophobicContact CG-CG2 3.36Å; M41-T48 HydrophobicContact SD-CG2 4.26Å; T48-Y56 HydrophobicContact CG2-CD1 4.1Å; T48-Y56 HydrophobicContact CG2-CE1 3.99Å; T48-Y56 WeakPolarHBondContact OG1-CE1 3.42Å
49T91.2Very high88.3Confident90 Ų9068 Ų6855%0.55238%0.376SS*.EExtended strand (participates in β ladder)trans-86.1145.4172.7-55.60000109F57T49-F57 HydrophobicContact CG2-CB 4.31Å; T49-F57 HydrophobicContact CG2-CD1 4.21Å; T49-F57 PolarHBondContact O-N 3.22Å
50R93.2Very high88.6Confident129 Ų12971.8 Ų71.849%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-121.6147.2172.7-66-178.1-178-980.1110.7G54 N55 Y56R50-G54 PolarHBondContact NH1-O 3.02Å; R50-N55 CarbonylContact C-O 3.5Å; R50-N55 WeakPolarHBondContact CA-O 3.46Å; R50-N55 WeakPolarHBondContact CB-O 3.45Å; R50-Y56 PolarHBondContact NH2-OH 3.5Å
51D93.3Very high89Confident27 Ų2774.4 Ų74.414%0.14440%0.403CS..  trans-75.8178.4170.369.915.1000111.7N17 Q53 G54 N55N17-D51 WeakPolarHBondContact CB-OD2 3.46Å; N17-D51 PolarHBondContact ND2-OD2 3.31Å; D51-Q53 PolarHBondContact O-N 3.12Å; D51-Q53 VanDerWaalsContact O-N 3.13Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.35Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.36Å; D51-Q53 PolarHBondContact OD1-N 2.92Å; D51-G54 PolarHBondContact O-N 3.07Å; D51-G54 PolarHBondContact OD1-N 3.04Å; D51-N55 PolarHBondContact N-O 2.94Å; D51-N55 PolarHBondContact OD1-N 3.47Å; D51-N55 PolarHBondContact OD1-ND2 2.95Å; D51-N55 WeakPolarHBondContact OD2-CB 3.31Å; D51-N55 PolarHBondContact OD2-ND2 3.35Å
52A93.4Very high89.4Confident99 Ų9973.7 Ų73.782%0.81840%0.401SS*.THydrogen-bonded Turntrans-63.2-17.2-179.700000113.7
53Q93.2Very high89.9Confident145 Ų14576.2 Ų76.268%0.67842%0.418SS*.THydrogen-bonded Turntrans-96.50177.8-66.671.339.100111.9D51D51-Q53 PolarHBondContact O-N 3.12Å; D51-Q53 VanDerWaalsContact O-N 3.13Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.35Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.36Å; D51-Q53 PolarHBondContact OD1-N 2.92Å
54G93.1Very high90.6Very high31 Ų3170.5 Ų70.532%0.3240%0.396SS..SBendtrans82.57.4179.700000114.3R50 D51R50-G54 PolarHBondContact NH1-O 3.02Å; D51-G54 PolarHBondContact O-N 3.07Å; D51-G54 PolarHBondContact OD1-N 3.04Å
55N94.3Very high91.5Very high30 Ų3067.5 Ų67.516%0.1637%0.365CS..PPolyproline II helixtrans-74.7148.4174.4-49.2-61.4000109.9T15 N17 R50 D51 F57T15-N55 WeakPolarHBondContact CB-OD1 3.41Å; T15-N55 HydrophobicContact CG2-CB 4.18Å; T15-N55 WeakPolarHBondContact CG2-OD1 3.31Å; N17-N55 HydrophobicContact CB-CB 4.29Å; R50-N55 CarbonylContact C-O 3.5Å; R50-N55 WeakPolarHBondContact CA-O 3.46Å; R50-N55 WeakPolarHBondContact CB-O 3.45Å; D51-N55 PolarHBondContact N-O 2.94Å; D51-N55 PolarHBondContact OD1-N 3.47Å; D51-N55 PolarHBondContact OD1-ND2 2.95Å; D51-N55 WeakPolarHBondContact OD2-CB 3.31Å; D51-N55 PolarHBondContact OD2-ND2 3.35Å; N55-F57 PolarHBondContact O-N 3.38Å
56Y94.4Very high92.7Very high49 Ų4968.1 Ų68.119%0.19236%0.361CS..EExtended strand (participates in β ladder)trans-64.9124.3174.5-71.1-86.7000109.9V14 T15 L16 N17 M41 F42 T48 R50V14-Y56 HydrophobicContact CG1-CD2 3.83Å; V14-Y56 HydrophobicContact CG1-CE2 3.96Å; T15-Y56 PolarHBondContact O-N 2.98Å; L16-Y56 CarbonylContact C-O 3.56Å; L16-Y56 WeakPolarHBondContact CA-O 3.37Å; L16-Y56 HydrophobicContact CD2-CG 4.37Å; N17-Y56 PolarHBondContact N-O 3.39Å; M41-Y56 HydrophobicContact CE-CD1 3.63Å; M41-Y56 HydrophobicContact CE-CG 4.18Å; F42-Y56 HydrophobicContact CE1-CD1 4.23Å; F42-Y56 AromaticContact CE1-CD2 3.73Å; F42-Y56 HydrophobicContact CE1-CD2 3.73Å; F42-Y56 AromaticContact CE1-CE1 3.99Å; F42-Y56 HydrophobicContact CE1-CE1 3.99Å; F42-Y56 AromaticContact CE1-CE2 3.5Å; F42-Y56 HydrophobicContact CE1-CE2 3.5Å; F42-Y56 VanDerWaalsContact CE1-CE2 3.5Å; F42-Y56 HydrophobicContact CE1-CG 4.08Å; F42-Y56 AromaticContact CE1-CZ 3.6Å; F42-Y56 AromaticContact CZ-CD1 3.99Å; F42-Y56 HydrophobicContact CZ-CD1 3.99Å; F42-Y56 AromaticContact CZ-CD2 3.72Å; F42-Y56 HydrophobicContact CZ-CD2 3.72Å; F42-Y56 HydrophobicContact CZ-CE1 4.21Å; F42-Y56 AromaticContact CZ-CE2 3.99Å; F42-Y56 HydrophobicContact CZ-CE2 3.99Å; F42-Y56 AromaticContact CZ-CG 3.71Å; F42-Y56 HydrophobicContact CZ-CG 3.71Å; T48-Y56 HydrophobicContact CG2-CD1 4.1Å; T48-Y56 HydrophobicContact CG2-CE1 3.99Å; T48-Y56 WeakPolarHBondContact OG1-CE1 3.42Å; R50-Y56 PolarHBondContact NH2-OH 3.5Å
57F95.9Very high94Very high66 Ų6663.3 Ų63.329%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-101.2133-175.9179.9-108000111.6N17 T49 N55 D59N17-F57 HydrophobicContact CB-CD2 4.11Å; N17-F57 CarbonylContact O-C 3.53Å; N17-F57 WeakPolarHBondContact O-CA 3.45Å; N17-F57 WeakPolarHBondContact O-CD2 3.47Å; T49-F57 HydrophobicContact CG2-CB 4.31Å; T49-F57 HydrophobicContact CG2-CD1 4.21Å; T49-F57 PolarHBondContact O-N 3.22Å; N55-F57 PolarHBondContact O-N 3.38Å; F57-D59 HydrophobicContact CE1-CB 3.83Å; F57-D59 HydrophobicContact CZ-CB 4.03Å
58I96.1Very high95.2Very high8 Ų857.2 Ų57.24%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-130.5119.6175.8-58.8170.7000107.8N17 V18 G19 L38 M41 R60 F95 Y96N17-I58 PolarHBondContact O-N 3.42Å; V18-I58 CarbonylContact C-O 3.59Å; V18-I58 VanDerWaalsContact CA-O 3.31Å; V18-I58 WeakPolarHBondContact CA-O 3.26Å; V18-I58 HydrophobicContact CG1-CB 4.4Å; V18-I58 HydrophobicContact CG1-CG2 4.41Å; V18-I58 HydrophobicContact CG2-CB 4.35Å; V18-I58 HydrophobicContact CG2-CD1 4.36Å; G19-I58 PolarHBondContact N-O 3.13Å; L38-I58 HydrophobicContact CD2-CD1 3.87Å; M41-I58 HydrophobicContact SD-CD1 4.49Å; I58-R60 VanDerWaalsContact C-N 3.26Å; I58-R60 HydrophobicContact CG2-CB 3.91Å; I58-R60 HydrophobicContact CG2-CG 3.51Å; I58-R60 PolarHBondContact O-N 2.7Å; I58-F95 HydrophobicContact CG2-CE1 4.16Å; I58-Y96 HydrophobicContact CD1-CE1 4.37Å; I58-Y96 HydrophobicContact CG2-CE1 4.12Å
59D96.3Very high95.9Very high131 Ų13154.9 Ų54.970%0.70129%0.285SS*.  trans-83.167.1-178.3-169.824.3000111.6F57F57-D59 HydrophobicContact CE1-CB 3.83Å; F57-D59 HydrophobicContact CZ-CB 4.03Å
60R97.5Very high96.1Very high80 Ų8053.2 Ų53.230%0.30227%0.273SS..SBendtrans-138.9174.9-176.1-64.1-57-60.2176.7-2112V18 G19 I58 G62 E92 F95 Y96V18-R60 CarbonylContact C-O 3.49Å; V18-R60 HydrophobicContact CG1-CB 4Å; G19-R60 VanDerWaalsContact CA-O 3.23Å; G19-R60 WeakPolarHBondContact CA-O 3.39Å; G19-R60 PolarHBondContact N-O 2.89Å; I58-R60 VanDerWaalsContact C-N 3.26Å; I58-R60 HydrophobicContact CG2-CB 3.91Å; I58-R60 HydrophobicContact CG2-CG 3.51Å; I58-R60 PolarHBondContact O-N 2.7Å; R60-G62 PolarHBondContact O-N 2.7Å; R60-E92 IonicContact CZ-OE1 3.58Å; R60-E92 IonicContact CZ-OE2 3.21Å; R60-E92 IonicContact NE-OE1 2.95Å; R60-E92 PolarHBondContact NE-OE1 2.9Å; R60-E92 IonicContact NE-OE2 3.32Å; R60-E92 PolarHBondContact NE-OE2 3.07Å; R60-E92 VanDerWaalsContact NE-OE2 3.09Å; R60-E92 IonicContact NH2-OE1 2.8Å; R60-E92 PolarHBondContact NH2-OE1 3.49Å; R60-E92 IonicContact NH2-OE2 3.15Å; R60-F95 HydrophobicContact CG-CD1 3.68Å; R60-F95 HydrophobicContact CG-CE1 3.36Å; R60-F95 HydrophobicContact CG-CE2 4.3Å; R60-F95 HydrophobicContact CG-CG 4.29Å; R60-F95 HydrophobicContact CG-CZ 3.7Å; R60-Y96 VanDerWaalsContact CB-OH 3.25Å; R60-Y96 WeakPolarHBondContact CB-OH 3.25Å
61D98Very high96.3Very high62 Ų6247.2 Ų47.233%0.33225%0.25SS..  trans-67.5105.4179-167.9-46000111.6T63 L64 F65D61-T63 VanDerWaalsContact C-N 3.3Å; D61-T63 PolarHBondContact O-N 2.77Å; D61-T63 WeakPolarHBondContact OD1-CA 3.38Å; D61-T63 VanDerWaalsContact OD1-CB 3.25Å; D61-T63 WeakPolarHBondContact OD1-CB 3.43Å; D61-T63 PolarHBondContact OD1-N 2.88Å; D61-L64 HydrophobicContact CB-CB 4.31Å; D61-L64 HydrophobicContact CB-CD1 4.25Å; D61-L64 HydrophobicContact CB-CG 4.46Å; D61-L64 PolarHBondContact OD1-N 3.13Å; D61-F65 WeakPolarHBondContact O-CB 3.34Å; D61-F65 PolarHBondContact O-N 3.24Å; D61-F65 VanDerWaalsContact O-N 3.15Å
62G97.6Very high96.4Very high2 Ų246 Ų462%0.02124%0.243CC..Hα-helixtrans-68.1-24.1178.100000114.2V18 Y23 R60V18-G62 VanDerWaalsContact O-CA 3.22Å; V18-G62 WeakPolarHBondContact O-CA 3.49Å; Y23-G62 WeakPolarHBondContact CE2-O 3.12Å; Y23-G62 VanDerWaalsContact CZ-O 3.25Å; Y23-G62 PolarHBondContact OH-O 2.78Å; R60-G62 PolarHBondContact O-N 2.7Å
63T97.8Very high96.4Very high73 Ų7346 Ų4645%0.44822%0.223SC..Hα-helixtrans-71.8-47.7178.6-55.10000110.4D61 F65D61-T63 VanDerWaalsContact C-N 3.3Å; D61-T63 PolarHBondContact O-N 2.77Å; D61-T63 WeakPolarHBondContact OD1-CA 3.38Å; D61-T63 VanDerWaalsContact OD1-CB 3.25Å; D61-T63 WeakPolarHBondContact OD1-CB 3.43Å; D61-T63 PolarHBondContact OD1-N 2.88Å; T63-F65 VanDerWaalsContact C-N 3.3Å; T63-F65 PolarHBondContact O-N 3.28Å
64L98Very high96.2Very high2 Ų242.7 Ų42.71%0.0121%0.212CC..Hα-helixtrans-70.9-27.9179.3-66.4174.8000112.4D61 R66 Y67 F83 E85 L88 L89 E92D61-L64 HydrophobicContact CB-CB 4.31Å; D61-L64 HydrophobicContact CB-CD1 4.25Å; D61-L64 HydrophobicContact CB-CG 4.46Å; D61-L64 PolarHBondContact OD1-N 3.13Å; L64-R66 PolarHBondContact O-N 3.2Å; L64-R66 VanDerWaalsContact O-N 3.08Å; L64-Y67 HydrophobicContact CD2-CD2 4.46Å; L64-Y67 PolarHBondContact O-N 3.13Å; L64-F83 HydrophobicContact CD2-CE2 4.41Å; L64-F83 HydrophobicContact CD2-CZ 3.98Å; L64-E85 HydrophobicContact CD2-CB 4.14Å; L64-L88 HydrophobicContact CD1-CB 3.52Å; L64-L89 HydrophobicContact CB-CD1 4.5Å; L64-L89 HydrophobicContact CD2-CB 4.5Å; L64-E92 HydrophobicContact CB-CG 3.97Å; L64-E92 HydrophobicContact CD1-CG 4.08Å
65F98.4Very high96.1Very high0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-56.7-26.8178.1-170.6-103.1000113.8L16 V18 Y23 L38 D61 T63 Y67 V68 L69 Y96L16-F65 HydrophobicContact CD1-CE1 3.78Å; L16-F65 HydrophobicContact CD1-CZ 3.54Å; V18-F65 HydrophobicContact CB-CB 4.41Å; V18-F65 HydrophobicContact CB-CD1 4.46Å; V18-F65 HydrophobicContact CB-CG 4.3Å; V18-F65 HydrophobicContact CG1-CB 3.99Å; V18-F65 HydrophobicContact CG1-CD2 4.24Å; V18-F65 HydrophobicContact CG1-CG 4.06Å; V18-F65 HydrophobicContact CG2-CD1 3.8Å; V18-F65 HydrophobicContact CG2-CD2 4.24Å; V18-F65 HydrophobicContact CG2-CE1 3.96Å; V18-F65 HydrophobicContact CG2-CE2 4.4Å; V18-F65 HydrophobicContact CG2-CG 3.93Å; V18-F65 HydrophobicContact CG2-CZ 4.26Å; Y23-F65 HydrophobicContact CD1-CD1 4.24Å; Y23-F65 AromaticContact CD2-CD1 3.5Å; Y23-F65 HydrophobicContact CD2-CD1 3.5Å; Y23-F65 VanDerWaalsContact CD2-CD1 3.5Å; Y23-F65 HydrophobicContact CD2-CE1 4.1Å; Y23-F65 HydrophobicContact CD2-CG 4.48Å; Y23-F65 HydrophobicContact CE1-CD1 4.43Å; Y23-F65 HydrophobicContact CE2-CB 4.11Å; Y23-F65 AromaticContact CE2-CD1 3.71Å; Y23-F65 HydrophobicContact CE2-CD1 3.71Å; Y23-F65 HydrophobicContact CE2-CG 4.36Å; Y23-F65 AromaticContact CG-CD1 3.77Å; Y23-F65 HydrophobicContact CG-CD1 3.77Å; Y23-F65 HydrophobicContact CG-CE1 4.05Å; L38-F65 HydrophobicContact CD1-CE2 4.16Å; L38-F65 HydrophobicContact CD1-CZ 4.37Å; D61-F65 WeakPolarHBondContact O-CB 3.34Å; D61-F65 PolarHBondContact O-N 3.24Å; D61-F65 VanDerWaalsContact O-N 3.15Å; T63-F65 VanDerWaalsContact C-N 3.3Å; T63-F65 PolarHBondContact O-N 3.28Å; F65-Y67 PolarHBondContact O-N 3.41Å; F65-V68 HydrophobicContact CD2-CB 4.22Å; F65-V68 HydrophobicContact CD2-CG1 4.36Å; F65-V68 HydrophobicContact CE2-CG1 4.22Å; F65-V68 WeakPolarHBondContact O-CB 3.33Å; F65-V68 PolarHBondContact O-N 3.24Å; F65-L69 HydrophobicContact CD1-CB 4.3Å; F65-L69 HydrophobicContact CE1-CB 4.04Å; F65-L69 HydrophobicContact CE1-CD2 4.28Å; F65-L69 WeakPolarHBondContact O-CB 3.39Å; F65-L69 PolarHBondContact O-N 2.98Å; F65-Y96 HydrophobicContact CD2-CE1 4.21Å; F65-Y96 AromaticContact CD2-CE2 3.78Å; F65-Y96 HydrophobicContact CD2-CE2 3.78Å; F65-Y96 AromaticContact CD2-CZ 3.54Å; F65-Y96 WeakPolarHBondContact CD2-OH 3.45Å; F65-Y96 AromaticContact CE2-CE1 3.93Å; F65-Y96 HydrophobicContact CE2-CE1 3.93Å; F65-Y96 HydrophobicContact CE2-CE2 4.16Å; F65-Y96 AromaticContact CE2-CZ 3.74Å
66R97.8Very high95.7Very high106 Ų10648.6 Ų48.640%0.424%0.236SC..Hα-helixtrans-55.2-39.8174.2-177.9171.457.686.20.8112.4Y23 L64 N70Y23-R66 HydrophobicContact CE1-CB 4.11Å; Y23-R66 WeakPolarHBondContact OH-CB 3.48Å; Y23-R66 PolarHBondContact OH-N 2.9Å; L64-R66 PolarHBondContact O-N 3.2Å; L64-R66 VanDerWaalsContact O-N 3.08Å; R66-N70 WeakPolarHBondContact O-CB 3.49Å; R66-N70 VanDerWaalsContact O-CG 3.26Å; R66-N70 PolarHBondContact O-N 3.28Å
67Y97.8Very high95.5Very high21 Ų2148.6 Ų48.68%0.08224%0.239CC..Hα-helixtrans-73.3-40.6-179.5-60.5-72.8000111.6L64 F65 L69 N70 F71 L79 P80 F83 L89L64-Y67 HydrophobicContact CD2-CD2 4.46Å; L64-Y67 PolarHBondContact O-N 3.13Å; F65-Y67 PolarHBondContact O-N 3.41Å; Y67-L69 VanDerWaalsContact C-N 3.35Å; Y67-N70 PolarHBondContact O-N 3.37Å; Y67-F71 WeakPolarHBondContact O-CB 3.29Å; Y67-F71 PolarHBondContact O-N 2.92Å; Y67-L79 HydrophobicContact CD1-CD2 3.6Å; Y67-L79 HydrophobicContact CE1-CD2 3.96Å; Y67-L79 HydrophobicContact CG-CD2 4.04Å; Y67-P80 HydrophobicContact CE1-CG 4.41Å; Y67-F83 HydrophobicContact CD2-CE2 4.12Å; Y67-F83 HydrophobicContact CD2-CZ 4.25Å; Y67-F83 HydrophobicContact CE1-CE2 4.41Å; Y67-F83 HydrophobicContact CE2-CD2 4.25Å; Y67-F83 AromaticContact CE2-CE2 3.42Å; Y67-F83 HydrophobicContact CE2-CE2 3.42Å; Y67-F83 VanDerWaalsContact CE2-CE2 3.42Å; Y67-F83 HydrophobicContact CE2-CZ 4Å; Y67-F83 AromaticContact CZ-CD2 3.91Å; Y67-F83 AromaticContact CZ-CE2 3.56Å; Y67-L89 HydrophobicContact CG-CD2 4.28Å
68V98.2Very high95Very high0 Ų050.1 Ų50.10%025%0.254CS..Hα-helixtrans-57.2-50.5171.6176.60000110.1F65 N70 F71 L72 L89 E92 Y96 I98 L101F65-V68 HydrophobicContact CD2-CB 4.22Å; F65-V68 HydrophobicContact CD2-CG1 4.36Å; F65-V68 HydrophobicContact CE2-CG1 4.22Å; F65-V68 WeakPolarHBondContact O-CB 3.33Å; F65-V68 PolarHBondContact O-N 3.24Å; V68-N70 PolarHBondContact O-N 3.27Å; V68-F71 WeakPolarHBondContact O-CB 3.33Å; V68-F71 PolarHBondContact O-N 2.8Å; V68-L72 WeakPolarHBondContact O-CG 3.43Å; V68-L72 PolarHBondContact O-N 3.13Å; V68-L89 HydrophobicContact CG2-CD1 4.04Å; V68-E92 HydrophobicContact CG2-CB 4.24Å; V68-Y96 HydrophobicContact CB-CD2 4.49Å; V68-Y96 HydrophobicContact CG1-CD2 3.87Å; V68-Y96 HydrophobicContact CG1-CE2 4.39Å; V68-Y96 HydrophobicContact CG1-CG 4.37Å; V68-Y96 HydrophobicContact CG2-CD2 4.03Å; V68-Y96 HydrophobicContact CG2-CE2 4.19Å; V68-I98 HydrophobicContact CG1-CD1 3.51Å; V68-L101 HydrophobicContact CG2-CD2 4.21Å
69L98Very high94.7Very high1 Ų151.6 Ų51.61%0.00526%0.262CS..Hα-helixtrans-64.3-38.4-178.8-176.759.9000112.6Y23 T25 T29 F65 Y67 L72 R73Y23-L69 HydrophobicContact CD1-CD2 3.6Å; Y23-L69 HydrophobicContact CE1-CD2 4.43Å; Y23-L69 HydrophobicContact CG-CD2 4.14Å; T25-L69 HydrophobicContact CG2-CD1 3.95Å; T29-L69 HydrophobicContact CG2-CD1 3.87Å; F65-L69 HydrophobicContact CD1-CB 4.3Å; F65-L69 HydrophobicContact CE1-CB 4.04Å; F65-L69 HydrophobicContact CE1-CD2 4.28Å; F65-L69 WeakPolarHBondContact O-CB 3.39Å; F65-L69 PolarHBondContact O-N 2.98Å; Y67-L69 VanDerWaalsContact C-N 3.35Å; L69-L72 PolarHBondContact O-N 3Å; L69-R73 WeakPolarHBondContact O-CG 3.24Å; L69-R73 PolarHBondContact O-N 3.4Å
70N96.4Very high94.2Very high56 Ų5647.8 Ų47.830%0.29924%0.244SC..Hα-helixtrans-65.9-41.2175-76.8-13.1000111.6R66 Y67 V68 L72 R73 T74R66-N70 WeakPolarHBondContact O-CB 3.49Å; R66-N70 VanDerWaalsContact O-CG 3.26Å; R66-N70 PolarHBondContact O-N 3.28Å; Y67-N70 PolarHBondContact O-N 3.37Å; V68-N70 PolarHBondContact O-N 3.27Å; N70-L72 VanDerWaalsContact C-N 3.31Å; N70-L72 PolarHBondContact O-N 2.83Å; N70-R73 WeakPolarHBondContact O-CB 3.32Å; N70-R73 PolarHBondContact O-N 2.87Å; N70-R73 PolarHBondContact OD1-NH1 2.78Å; N70-T74 PolarHBondContact O-N 3.4Å; N70-T74 PolarHBondContact O-OG1 2.79Å; N70-T74 VanDerWaalsContact O-OG1 3.13Å
71F96.4Very high93.2Very high3 Ų351.4 Ų51.41%0.01328%0.275CS..Hα-helixtrans-59.2-42.5173-173.4-91.4000111.6Y33 Y67 V68 R73 T74 S75 E76 L77 I98 P100 L101Y33-F71 AromaticContact CE2-CD1 3.91Å; Y33-F71 HydrophobicContact CE2-CD1 3.91Å; Y33-F71 AromaticContact CE2-CE1 3.6Å; Y33-F71 HydrophobicContact CE2-CE1 3.6Å; Y33-F71 AromaticContact CZ-CE1 3.7Å; Y33-F71 VanDerWaalsContact OH-CE1 3.31Å; Y33-F71 WeakPolarHBondContact OH-CE1 3.5Å; Y67-F71 WeakPolarHBondContact O-CB 3.29Å; Y67-F71 PolarHBondContact O-N 2.92Å; V68-F71 WeakPolarHBondContact O-CB 3.33Å; V68-F71 PolarHBondContact O-N 2.8Å; F71-R73 PolarHBondContact O-N 2.78Å; F71-T74 PolarHBondContact O-N 2.91Å; F71-S75 WeakPolarHBondContact O-CA 3.38Å; F71-S75 PolarHBondContact O-N 2.86Å; F71-E76 VanDerWaalsContact CD2-C 3.48Å; F71-L77 HydrophobicContact CD2-CB 4.21Å; F71-L77 HydrophobicContact CE2-CB 4.42Å; F71-I98 HydrophobicContact CD1-CG2 4.08Å; F71-I98 HydrophobicContact CE1-CG2 3.9Å; F71-P100 HydrophobicContact CE1-CB 4.18Å; F71-P100 HydrophobicContact CZ-CB 3.96Å; F71-L101 HydrophobicContact CB-CD1 4.28Å; F71-L101 HydrophobicContact CB-CD2 4.43Å; F71-L101 HydrophobicContact CD1-CB 3.79Å; F71-L101 HydrophobicContact CD1-CD1 4.38Å; F71-L101 HydrophobicContact CD1-CD2 4.41Å; F71-L101 HydrophobicContact CD1-CG 4.41Å; F71-L101 HydrophobicContact CD2-CB 4.42Å; F71-L101 HydrophobicContact CD2-CD1 3.73Å; F71-L101 HydrophobicContact CE1-CB 3.67Å; F71-L101 HydrophobicContact CE2-CB 4.31Å; F71-L101 HydrophobicContact CE2-CD1 4.12Å; F71-L101 HydrophobicContact CG-CB 4.17Å; F71-L101 HydrophobicContact CG-CD1 3.87Å; F71-L101 HydrophobicContact CG-CD2 4.38Å; F71-L101 HydrophobicContact CG-CG 4.35Å; F71-L101 HydrophobicContact CZ-CB 3.95Å
72L95.6Very high92.5Very high0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-62.7-22.1174.4-65.6179.7000113.7T29 L30 R32 Y33 L38 V68 L69 N70 I98T29-L72 HydrophobicContact CG2-CB 3.62Å; L30-L72 HydrophobicContact CD2-CD1 4.45Å; R32-L72 VanDerWaalsContact CD-O 3.31Å; R32-L72 WeakPolarHBondContact CD-O 3.38Å; Y33-L72 HydrophobicContact CD2-CD2 3.5Å; Y33-L72 VanDerWaalsContact CD2-CD2 3.5Å; Y33-L72 HydrophobicContact CE2-CD2 3.9Å; L38-L72 HydrophobicContact CD1-CD1 3.71Å; V68-L72 WeakPolarHBondContact O-CG 3.43Å; V68-L72 PolarHBondContact O-N 3.13Å; L69-L72 PolarHBondContact O-N 3Å; N70-L72 VanDerWaalsContact C-N 3.31Å; N70-L72 PolarHBondContact O-N 2.83Å; L72-I98 HydrophobicContact CD2-CD1 3.89Å; L72-I98 HydrophobicContact CG-CD1 4.35Å
73R93.4Very high92.1Very high101 Ų10155.5 Ų55.538%0.38130%0.296SS..Hα-helixtrans-84.2-47.2178.1-70.8167174.4156.6-5.1111.6T24 T29 R32 L69 N70 F71T24-R73 PolarHBondContact O-NH2 3.02Å; T29-R73 HydrophobicContact CG2-CG 3.74Å; R32-R73 PolarHBondContact NH1-O 2.95Å; L69-R73 WeakPolarHBondContact O-CG 3.24Å; L69-R73 PolarHBondContact O-N 3.4Å; N70-R73 WeakPolarHBondContact O-CB 3.32Å; N70-R73 PolarHBondContact O-N 2.87Å; N70-R73 PolarHBondContact OD1-NH1 2.78Å; F71-R73 PolarHBondContact O-N 2.78Å
74T89.5Confident91.8Very high75 Ų7558.3 Ų58.346%0.4631%0.313SS..Hα-helixtrans-102.9-17.9-169.759.40000114.1N70 F71 E76N70-T74 PolarHBondContact O-N 3.4Å; N70-T74 PolarHBondContact O-OG1 2.79Å; N70-T74 VanDerWaalsContact O-OG1 3.13Å; F71-T74 PolarHBondContact O-N 2.91Å; T74-E76 PolarHBondContact O-N 2.84Å; T74-E76 PolarHBondContact OG1-N 2.89Å; T74-E76 PolarHBondContact OG1-O 2.84Å
75S89.8Confident91.7Very high53 Ų5361.9 Ų61.937%0.37133%0.329SS..SBendtrans6121.6-165.5-51.30000113.7Y33 F71Y33-S75 WeakPolarHBondContact OH-CB 3.49Å; Y33-S75 PolarHBondContact OH-OG 3.28Å; F71-S75 WeakPolarHBondContact O-CA 3.38Å; F71-S75 PolarHBondContact O-N 2.86Å
76E86.7Confident91.5Very high131 Ų13163.2 Ų63.261%0.61234%0.338SS*.SBendtrans-128.3134.9-178.2-67.6-179.6178.700111.2F71 T74 T78F71-E76 VanDerWaalsContact CD2-C 3.48Å; T74-E76 PolarHBondContact O-N 2.84Å; T74-E76 PolarHBondContact OG1-N 2.89Å; T74-E76 PolarHBondContact OG1-O 2.84Å; E76-T78 PolarHBondContact O-N 2.84Å
77L90.9Very high91.3Very high49 Ų4963.1 Ų63.126%0.25735%0.345SS..  trans-83102176.2178.159.5000110.2F71 L79 L89 L101 C104 L105F71-L77 HydrophobicContact CD2-CB 4.21Å; F71-L77 HydrophobicContact CE2-CB 4.42Å; L77-L79 HydrophobicContact CD1-CD1 4.08Å; L77-L79 HydrophobicContact CD1-CD2 3.85Å; L77-L79 HydrophobicContact CD1-CG 3.81Å; L77-L79 HydrophobicContact CD2-CD1 4.23Å; L77-L79 HydrophobicContact CG-CD1 4.17Å; L77-L79 HydrophobicContact CG-CG 4.09Å; L77-L89 HydrophobicContact CD1-CD2 4.29Å; L77-L101 HydrophobicContact CD1-CD1 3.81Å; L77-C104 HydrophobicContact CB-CB 4.07Å; L77-C104 HydrophobicContact CD2-CB 3.85Å; L77-L105 HydrophobicContact CD1-CD2 4.37Å; L77-L105 HydrophobicContact CD2-CD2 3.61Å; L77-L105 HydrophobicContact CD2-CG 3.92Å
78T84.7Confident91.2Very high98 Ų9865.7 Ų65.760%0.60136%0.36SS*.  trans-109115.7175.4-53.60000110.7E76E76-T78 PolarHBondContact O-N 2.84Å
79L89.2Confident91.2Very high39 Ų3965.7 Ų65.720%0.20436%0.36CS..  trans-121.7149.1179.7-59.9175.8000110.6Y67 L77 F83 L89Y67-L79 HydrophobicContact CD1-CD2 3.6Å; Y67-L79 HydrophobicContact CE1-CD2 3.96Å; Y67-L79 HydrophobicContact CG-CD2 4.04Å; L77-L79 HydrophobicContact CD1-CD1 4.08Å; L77-L79 HydrophobicContact CD1-CD2 3.85Å; L77-L79 HydrophobicContact CD1-CG 3.81Å; L77-L79 HydrophobicContact CD2-CD1 4.23Å; L77-L79 HydrophobicContact CG-CD1 4.17Å; L77-L79 HydrophobicContact CG-CG 4.09Å; L79-F83 HydrophobicContact CB-CB 4.04Å; L79-F83 HydrophobicContact CB-CD1 4.34Å; L79-F83 HydrophobicContact CB-CG 4.21Å; L79-F83 HydrophobicContact CD1-CD1 3.76Å; L79-F83 HydrophobicContact CD1-CE1 4.18Å; L79-F83 HydrophobicContact CD1-CG 4.45Å; L79-F83 HydrophobicContact CD2-CD1 4Å; L79-F83 HydrophobicContact CD2-CE1 4.01Å; L79-F83 HydrophobicContact CD2-CG 4.27Å; L79-F83 HydrophobicContact CD2-CZ 4.35Å; L79-F83 HydrophobicContact CG-CD1 4.25Å; L79-L89 HydrophobicContact CD1-CD2 4.46Å; L79-L89 HydrophobicContact CD2-CD2 3.59Å
80P86Confident91.1Very high51 Ų5168.9 Ų68.933%0.33137%0.372SS..  trans-53.5149.8166.4-2532.6000111.7Y67 D82 F83Y67-P80 HydrophobicContact CE1-CG 4.41Å; P80-D82 WeakPolarHBondContact CB-OD1 3.2Å; P80-D82 PolarHBondContact O-N 2.97Å; P80-F83 HydrophobicContact CB-CB 4.29Å; P80-F83 HydrophobicContact CG-CD2 4.48Å; P80-F83 VanDerWaalsContact O-CB 3.24Å; P80-F83 WeakPolarHBondContact O-CB 3.42Å; P80-F83 PolarHBondContact O-N 2.89Å; P80-F83 VanDerWaalsContact O-N 3.08Å
81V77.9Confident91.2Very high156 Ų15672.4 Ų72.495%0.94538%0.384SS*.THydrogen-bonded Turntrans-57.5-35.3-179.9175.20000111.6
82D82.9Confident91.2Very high132 Ų13272.8 Ų72.871%0.70639%0.386SS*.THydrogen-bonded Turntrans-98.919.1-178.461.3-27.9000113.3P80 T84P80-D82 WeakPolarHBondContact CB-OD1 3.2Å; P80-D82 PolarHBondContact O-N 2.97Å; D82-T84 WeakPolarHBondContact O-CG2 3.49Å; D82-T84 PolarHBondContact O-N 3.07Å
83F89.3Confident91.3Very high18 Ų1872.8 Ų72.88%0.07939%0.386CS..  trans-66.5109.6-178.6-171.3-103.7000112.4L64 Y67 L79 P80 E85 L89L64-F83 HydrophobicContact CD2-CE2 4.41Å; L64-F83 HydrophobicContact CD2-CZ 3.98Å; Y67-F83 HydrophobicContact CD2-CE2 4.12Å; Y67-F83 HydrophobicContact CD2-CZ 4.25Å; Y67-F83 HydrophobicContact CE1-CE2 4.41Å; Y67-F83 HydrophobicContact CE2-CD2 4.25Å; Y67-F83 AromaticContact CE2-CE2 3.42Å; Y67-F83 HydrophobicContact CE2-CE2 3.42Å; Y67-F83 VanDerWaalsContact CE2-CE2 3.42Å; Y67-F83 HydrophobicContact CE2-CZ 4Å; Y67-F83 AromaticContact CZ-CD2 3.91Å; Y67-F83 AromaticContact CZ-CE2 3.56Å; L79-F83 HydrophobicContact CB-CB 4.04Å; L79-F83 HydrophobicContact CB-CD1 4.34Å; L79-F83 HydrophobicContact CB-CG 4.21Å; L79-F83 HydrophobicContact CD1-CD1 3.76Å; L79-F83 HydrophobicContact CD1-CE1 4.18Å; L79-F83 HydrophobicContact CD1-CG 4.45Å; L79-F83 HydrophobicContact CD2-CD1 4Å; L79-F83 HydrophobicContact CD2-CE1 4.01Å; L79-F83 HydrophobicContact CD2-CG 4.27Å; L79-F83 HydrophobicContact CD2-CZ 4.35Å; L79-F83 HydrophobicContact CG-CD1 4.25Å; P80-F83 HydrophobicContact CB-CB 4.29Å; P80-F83 HydrophobicContact CG-CD2 4.48Å; P80-F83 VanDerWaalsContact O-CB 3.24Å; P80-F83 WeakPolarHBondContact O-CB 3.42Å; P80-F83 PolarHBondContact O-N 2.89Å; P80-F83 VanDerWaalsContact O-N 3.08Å; F83-E85 VanDerWaalsContact CE1-C 3.41Å; F83-E85 HydrophobicContact CE1-CB 4.21Å; F83-E85 HydrophobicContact CE2-CB 4.16Å; F83-E85 HydrophobicContact CZ-CB 3.78Å; F83-L89 HydrophobicContact CE1-CB 4.13Å; F83-L89 HydrophobicContact CE1-CD2 3.97Å; F83-L89 HydrophobicContact CZ-CB 4.17Å; F83-L89 HydrophobicContact CZ-CD2 4.11Å
84T91.4Very high91.5Very high132 Ų13271.2 Ų71.281%0.8139%0.386SS*.  trans-92.4-17.4-176.652.80000114.1D82 T86D82-T84 WeakPolarHBondContact O-CG2 3.49Å; D82-T84 PolarHBondContact O-N 3.07Å; T84-T86 VanDerWaalsContact C-N 3.29Å; T84-T86 PolarHBondContact O-N 3.47Å
85E95.5Very high91.9Very high77 Ų7771.3 Ų71.336%0.3638%0.38SS..  trans-92.732.4-170-60.8-175.1113.700113.2L64 F83 D87 L88 L89L64-E85 HydrophobicContact CD2-CB 4.14Å; F83-E85 VanDerWaalsContact CE1-C 3.41Å; F83-E85 HydrophobicContact CE1-CB 4.21Å; F83-E85 HydrophobicContact CE2-CB 4.16Å; F83-E85 HydrophobicContact CZ-CB 3.78Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3Å; E85-L88 HydrophobicContact CB-CB 4.32Å; E85-L88 HydrophobicContact CB-CD1 4.18Å; E85-L88 HydrophobicContact CG-CD1 4.17Å; E85-L88 PolarHBondContact O-N 2.87Å; E85-L88 VanDerWaalsContact O-N 3.14Å; E85-L89 PolarHBondContact O-N 2.96Å
86T93.1Very high92.2Very high28 Ų2868.8 Ų68.817%0.17236%0.362CS..Hα-helixtrans-60.6-40.7-174.5-55.60000112.1T84 L88 L89 R90 L105T84-T86 VanDerWaalsContact C-N 3.29Å; T84-T86 PolarHBondContact O-N 3.47Å; T86-L88 VanDerWaalsContact C-N 3.35Å; T86-L88 PolarHBondContact O-N 2.88Å; T86-L89 PolarHBondContact O-N 3.48Å; T86-R90 PolarHBondContact O-N 2.79Å; T86-L105 HydrophobicContact CG2-CD2 4.02Å
87D93.6Very high92.6Very high104 Ų10467.6 Ų67.656%0.55636%0.359SS*.Hα-helixtrans-70-31.5178.1-67.5-36000112.9E85 R90 K91E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3Å; D87-R90 IonicContact OD1-CZ 2.69Å; D87-R90 IonicContact OD1-NH1 3.41Å; D87-R90 PolarHBondContact OD1-NH1 2.78Å; D87-R90 IonicContact OD1-NH2 3.09Å; D87-K91 WeakPolarHBondContact O-CG 3.49Å; D87-K91 PolarHBondContact O-N 2.84Å
88L97.1Very high92.9Very high75 Ų7565.2 Ų65.239%0.39335%0.347SS..Hα-helixtrans-71.5-43174.7-61.9177.5000110.5L64 E85 T86 R90 K91 E92L64-L88 HydrophobicContact CD1-CB 3.52Å; E85-L88 HydrophobicContact CB-CB 4.32Å; E85-L88 HydrophobicContact CB-CD1 4.18Å; E85-L88 HydrophobicContact CG-CD1 4.17Å; E85-L88 PolarHBondContact O-N 2.87Å; E85-L88 VanDerWaalsContact O-N 3.14Å; T86-L88 VanDerWaalsContact C-N 3.35Å; T86-L88 PolarHBondContact O-N 2.88Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.06Å; L88-K91 WeakPolarHBondContact O-CB 2.91Å; L88-K91 PolarHBondContact O-N 2.84Å; L88-K91 VanDerWaalsContact O-N 3.13Å; L88-E92 PolarHBondContact O-N 2.82Å; L88-E92 VanDerWaalsContact O-N 3.13Å
89L97.3Very high93.3Very high0 Ų067 Ų670%035%0.348CS..Hα-helixtrans-61.7-35.2174.6-177.958.9000112.1L64 Y67 V68 L77 L79 F83 E85 T86 E92 A93 L105L64-L89 HydrophobicContact CB-CD1 4.5Å; L64-L89 HydrophobicContact CD2-CB 4.5Å; Y67-L89 HydrophobicContact CG-CD2 4.28Å; V68-L89 HydrophobicContact CG2-CD1 4.04Å; L77-L89 HydrophobicContact CD1-CD2 4.29Å; L79-L89 HydrophobicContact CD1-CD2 4.46Å; L79-L89 HydrophobicContact CD2-CD2 3.59Å; F83-L89 HydrophobicContact CE1-CB 4.13Å; F83-L89 HydrophobicContact CE1-CD2 3.97Å; F83-L89 HydrophobicContact CZ-CB 4.17Å; F83-L89 HydrophobicContact CZ-CD2 4.11Å; E85-L89 PolarHBondContact O-N 2.96Å; T86-L89 PolarHBondContact O-N 3.48Å; L89-E92 PolarHBondContact O-N 3.19Å; L89-A93 PolarHBondContact O-N 3.15Å; L89-L105 HydrophobicContact CD2-CD2 4.02Å; L89-L105 HydrophobicContact CG-CD1 4.07Å; L89-L105 HydrophobicContact CG-CD2 4.28Å
90R96.5Very high93.4Very high69 Ų6967.6 Ų67.626%0.2635%0.354SS..Hα-helixtrans-60.1-45.8172.8-170-175.5-65.5125.96.5111.6T86 D87 L88 E92 A93 D94 L105 N106T86-R90 PolarHBondContact O-N 2.79Å; D87-R90 IonicContact OD1-CZ 2.69Å; D87-R90 IonicContact OD1-NH1 3.41Å; D87-R90 PolarHBondContact OD1-NH1 2.78Å; D87-R90 IonicContact OD1-NH2 3.09Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.06Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 PolarHBondContact O-N 3.27Å; R90-A93 WeakPolarHBondContact O-CB 3.33Å; R90-A93 PolarHBondContact O-N 2.83Å; R90-A93 VanDerWaalsContact O-N 3.1Å; R90-D94 VanDerWaalsContact O-CG 3.3Å; R90-D94 PolarHBondContact O-N 3.33Å; R90-L105 HydrophobicContact CB-CD1 4.35Å; R90-L105 HydrophobicContact CG-CB 4.47Å; R90-L105 PolarHBondContact NH2-O 3.5Å; R90-N106 WeakPolarHBondContact CD-OD1 3.25Å; R90-N106 PolarHBondContact NE-OD1 2.69Å
91K97.5Very high93.8Very high129 Ų12965.1 Ų65.156%0.56134%0.339SS*.Hα-helixtrans-60.7-34.7176-68.4174.3-178.2176.90112.8D87 L88 F95D87-K91 WeakPolarHBondContact O-CG 3.49Å; D87-K91 PolarHBondContact O-N 2.84Å; L88-K91 WeakPolarHBondContact O-CB 2.91Å; L88-K91 PolarHBondContact O-N 2.84Å; L88-K91 VanDerWaalsContact O-N 3.13Å; K91-F95 WeakPolarHBondContact O-CB 3.34Å; K91-F95 PolarHBondContact O-N 2.86Å
92E98.3Very high94.6Very high11 Ų1158.5 Ų58.55%0.05130%0.298CS..Hα-helixtrans-68.8-45.6172.4-65.7-48.6123.100111.5R60 L64 V68 L88 L89 R90 D94 F95 Y96R60-E92 IonicContact CZ-OE1 3.58Å; R60-E92 IonicContact CZ-OE2 3.21Å; R60-E92 IonicContact NE-OE1 2.95Å; R60-E92 PolarHBondContact NE-OE1 2.9Å; R60-E92 IonicContact NE-OE2 3.32Å; R60-E92 PolarHBondContact NE-OE2 3.07Å; R60-E92 VanDerWaalsContact NE-OE2 3.09Å; R60-E92 IonicContact NH2-OE1 2.8Å; R60-E92 PolarHBondContact NH2-OE1 3.49Å; R60-E92 IonicContact NH2-OE2 3.15Å; L64-E92 HydrophobicContact CB-CG 3.97Å; L64-E92 HydrophobicContact CD1-CG 4.08Å; V68-E92 HydrophobicContact CG2-CB 4.24Å; L88-E92 PolarHBondContact O-N 2.82Å; L88-E92 VanDerWaalsContact O-N 3.13Å; L89-E92 PolarHBondContact O-N 3.19Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 PolarHBondContact O-N 3.27Å; E92-D94 VanDerWaalsContact C-N 3.27Å; E92-D94 PolarHBondContact O-N 3.29Å; E92-F95 WeakPolarHBondContact O-CB 3.33Å; E92-F95 PolarHBondContact O-N 3.13Å; E92-F95 VanDerWaalsContact O-N 3.1Å; E92-Y96 HydrophobicContact CB-CD2 4.33Å; E92-Y96 HydrophobicContact CB-CE2 4.05Å; E92-Y96 WeakPolarHBondContact O-CD2 3.45Å; E92-Y96 PolarHBondContact O-N 2.87Å
93A97.4Very high94.9Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-57.7-41176.400000112.3L89 R90 L97 I98 L101 I102 L105L89-A93 PolarHBondContact O-N 3.15Å; R90-A93 WeakPolarHBondContact O-CB 3.33Å; R90-A93 PolarHBondContact O-N 2.83Å; R90-A93 VanDerWaalsContact O-N 3.1Å; A93-L97 PolarHBondContact O-N 3.21Å; A93-L97 VanDerWaalsContact O-N 3.09Å; A93-I98 PolarHBondContact O-N 2.94Å; A93-I98 VanDerWaalsContact O-N 3.12Å; A93-L101 HydrophobicContact CB-CB 4.29Å; A93-L101 HydrophobicContact CB-CD2 3.64Å; A93-L101 HydrophobicContact CB-CG 3.66Å; A93-I102 HydrophobicContact CB-CG1 3.84Å; A93-L105 HydrophobicContact CB-CD1 3.78Å
94D97.1Very high94.8Very high69 Ų6959 Ų5937%0.36930%0.301SS..Hα-helixtrans-62.7-46.3173-67.5-31.9000111.4R90 E92 Y96 L97 I102R90-D94 VanDerWaalsContact O-CG 3.3Å; R90-D94 PolarHBondContact O-N 3.33Å; E92-D94 VanDerWaalsContact C-N 3.27Å; E92-D94 PolarHBondContact O-N 3.29Å; D94-Y96 PolarHBondContact O-N 2.9Å; D94-L97 WeakPolarHBondContact O-CD2 3.47Å; D94-L97 PolarHBondContact O-N 3.23Å; D94-L97 VanDerWaalsContact O-N 3.1Å; D94-I102 WeakPolarHBondContact OD1-CD1 3.35Å; D94-I102 WeakPolarHBondContact OD1-CG1 3.28Å
95F97.2Very high94.7Very high77 Ų7753.1 Ų53.134%0.33826%0.264SS..Hα-helixtrans-60-44.3178.3175.8-91.5000112.3M37 I58 R60 K91 E92 L97M37-F95 HydrophobicContact CE-CE1 4.01Å; M37-F95 HydrophobicContact CE-CZ 3.99Å; M37-F95 HydrophobicContact SD-CD1 4.16Å; M37-F95 HydrophobicContact SD-CE1 3.56Å; M37-F95 VanDerWaalsContact SD-CE1 3.56Å; M37-F95 HydrophobicContact SD-CZ 4.02Å; I58-F95 HydrophobicContact CG2-CE1 4.16Å; R60-F95 HydrophobicContact CG-CD1 3.68Å; R60-F95 HydrophobicContact CG-CE1 3.36Å; R60-F95 HydrophobicContact CG-CE2 4.3Å; R60-F95 HydrophobicContact CG-CG 4.29Å; R60-F95 HydrophobicContact CG-CZ 3.7Å; K91-F95 WeakPolarHBondContact O-CB 3.34Å; K91-F95 PolarHBondContact O-N 2.86Å; E92-F95 WeakPolarHBondContact O-CB 3.33Å; E92-F95 PolarHBondContact O-N 3.13Å; E92-F95 VanDerWaalsContact O-N 3.1Å; F95-L97 PolarHBondContact O-N 2.83Å
96Y96.8Very high94.2Very high0 Ų053.6 Ų53.60%027%0.269CS..THydrogen-bonded Turntrans-78.8-3.5178.5-62-65.7000113.4S36 M37 L38 I58 R60 F65 V68 E92 D94 I98S36-Y96 WeakPolarHBondContact CB-O 3.28Å; M37-Y96 VanDerWaalsContact CB-O 3.31Å; M37-Y96 WeakPolarHBondContact CB-O 3.37Å; M37-Y96 PolarHBondContact N-O 2.84Å; M37-Y96 HydrophobicContact SD-CD1 4.12Å; L38-Y96 HydrophobicContact CD1-CD1 3.98Å; L38-Y96 HydrophobicContact CD1-CG 4.37Å; L38-Y96 HydrophobicContact CD2-CD1 4.13Å; L38-Y96 HydrophobicContact CD2-CE1 4.37Å; L38-Y96 HydrophobicContact CG-CD1 3.9Å; I58-Y96 HydrophobicContact CD1-CE1 4.37Å; I58-Y96 HydrophobicContact CG2-CE1 4.12Å; R60-Y96 VanDerWaalsContact CB-OH 3.25Å; R60-Y96 WeakPolarHBondContact CB-OH 3.25Å; F65-Y96 HydrophobicContact CD2-CE1 4.21Å; F65-Y96 AromaticContact CD2-CE2 3.78Å; F65-Y96 HydrophobicContact CD2-CE2 3.78Å; F65-Y96 AromaticContact CD2-CZ 3.54Å; F65-Y96 WeakPolarHBondContact CD2-OH 3.45Å; F65-Y96 AromaticContact CE2-CE1 3.93Å; F65-Y96 HydrophobicContact CE2-CE1 3.93Å; F65-Y96 HydrophobicContact CE2-CE2 4.16Å; F65-Y96 AromaticContact CE2-CZ 3.74Å; V68-Y96 HydrophobicContact CB-CD2 4.49Å; V68-Y96 HydrophobicContact CG1-CD2 3.87Å; V68-Y96 HydrophobicContact CG1-CE2 4.39Å; V68-Y96 HydrophobicContact CG1-CG 4.37Å; V68-Y96 HydrophobicContact CG2-CD2 4.03Å; V68-Y96 HydrophobicContact CG2-CE2 4.19Å; E92-Y96 HydrophobicContact CB-CD2 4.33Å; E92-Y96 HydrophobicContact CB-CE2 4.05Å; E92-Y96 WeakPolarHBondContact O-CD2 3.45Å; E92-Y96 PolarHBondContact O-N 2.87Å; D94-Y96 PolarHBondContact O-N 2.9Å; Y96-I98 VanDerWaalsContact C-N 3.34Å; Y96-I98 PolarHBondContact O-N 2.74Å
97L96.1Very high93.3Very high105 Ų10557.4 Ų57.455%0.5529%0.285SS..THydrogen-bonded Turntrans54.844.9-179-56172.4000112.8S36 M37 A93 D94 F95 E99S36-L97 WeakPolarHBondContact CA-O 3.25Å; S36-L97 WeakPolarHBondContact CB-O 3.4Å; M37-L97 HydrophobicContact CB-CD1 4.43Å; A93-L97 PolarHBondContact O-N 3.21Å; A93-L97 VanDerWaalsContact O-N 3.09Å; D94-L97 WeakPolarHBondContact O-CD2 3.47Å; D94-L97 PolarHBondContact O-N 3.23Å; D94-L97 VanDerWaalsContact O-N 3.1Å; F95-L97 PolarHBondContact O-N 2.83Å; L97-E99 PolarHBondContact O-N 2.64Å
98I96.8Very high91.6Very high0 Ų057.8 Ų57.80%029%0.294CS..  trans-97.582.1179.4-55.3167.1000108.8Y33 V68 F71 L72 A93 Y96 P100 L101 I102Y33-I98 HydrophobicContact CD2-CG2 3.85Å; Y33-I98 HydrophobicContact CE2-CG2 4.1Å; Y33-I98 HydrophobicContact CG-CG2 4.39Å; V68-I98 HydrophobicContact CG1-CD1 3.51Å; F71-I98 HydrophobicContact CD1-CG2 4.08Å; F71-I98 HydrophobicContact CE1-CG2 3.9Å; L72-I98 HydrophobicContact CD2-CD1 3.89Å; L72-I98 HydrophobicContact CG-CD1 4.35Å; A93-I98 PolarHBondContact O-N 2.94Å; A93-I98 VanDerWaalsContact O-N 3.12Å; Y96-I98 VanDerWaalsContact C-N 3.34Å; Y96-I98 PolarHBondContact O-N 2.74Å; I98-P100 VanDerWaalsContact C-CD 3.48Å; I98-P100 VanDerWaalsContact C-N 3.34Å; I98-L101 HydrophobicContact CB-CB 4.02Å; I98-L101 HydrophobicContact CD1-CD2 4.48Å; I98-L101 HydrophobicContact CG2-CB 3.63Å; I98-L101 WeakPolarHBondContact O-CA 3.44Å; I98-L101 WeakPolarHBondContact O-CB 3.39Å; I98-L101 PolarHBondContact O-N 2.8Å; I98-I102 WeakPolarHBondContact O-CG1 3.31Å; I98-I102 PolarHBondContact O-N 2.9Å
99E93.4Very high89.5Confident135 Ų13560.1 Ų60.163%0.63130%0.3SS*.Hα-helixtrans-49.6-44.4-175.3-162.466.3-158.600114.2L97 L101 I102 H103L97-E99 PolarHBondContact O-N 2.64Å; E99-L101 VanDerWaalsContact C-N 3.29Å; E99-L101 PolarHBondContact O-N 3.38Å; E99-I102 WeakPolarHBondContact O-CB 3.28Å; E99-I102 PolarHBondContact O-N 2.79Å; E99-H103 PolarHBondContact O-N 2.87Å
100P90.8Very high87.2Confident51 Ų5164.8 Ų64.833%0.33133%0.331SS..Hα-helixtrans-64.5-33178.6-24.838.6000113.3Y33 F71 I98 C104Y33-P100 HydrophobicContact CD1-CG 3.98Å; Y33-P100 HydrophobicContact CE1-CB 4.23Å; Y33-P100 HydrophobicContact CE1-CG 3.66Å; F71-P100 HydrophobicContact CE1-CB 4.18Å; F71-P100 HydrophobicContact CZ-CB 3.96Å; I98-P100 VanDerWaalsContact C-CD 3.48Å; I98-P100 VanDerWaalsContact C-N 3.34Å; P100-C104 PolarHBondContact O-N 2.79Å; P100-C104 PolarHBondContact O-SG 3.48Å
101L94.2Very high84.9Confident0 Ų069 Ų690%036%0.358CS..Hα-helixtrans-72.2-41.1176.3176.557.7000111V68 F71 L77 A93 I98 E99 H103 C104 L105V68-L101 HydrophobicContact CG2-CD2 4.21Å; F71-L101 HydrophobicContact CB-CD1 4.28Å; F71-L101 HydrophobicContact CB-CD2 4.43Å; F71-L101 HydrophobicContact CD1-CB 3.79Å; F71-L101 HydrophobicContact CD1-CD1 4.38Å; F71-L101 HydrophobicContact CD1-CD2 4.41Å; F71-L101 HydrophobicContact CD1-CG 4.41Å; F71-L101 HydrophobicContact CD2-CB 4.42Å; F71-L101 HydrophobicContact CD2-CD1 3.73Å; F71-L101 HydrophobicContact CE1-CB 3.67Å; F71-L101 HydrophobicContact CE2-CB 4.31Å; F71-L101 HydrophobicContact CE2-CD1 4.12Å; F71-L101 HydrophobicContact CG-CB 4.17Å; F71-L101 HydrophobicContact CG-CD1 3.87Å; F71-L101 HydrophobicContact CG-CD2 4.38Å; F71-L101 HydrophobicContact CG-CG 4.35Å; F71-L101 HydrophobicContact CZ-CB 3.95Å; L77-L101 HydrophobicContact CD1-CD1 3.81Å; A93-L101 HydrophobicContact CB-CB 4.29Å; A93-L101 HydrophobicContact CB-CD2 3.64Å; A93-L101 HydrophobicContact CB-CG 3.66Å; I98-L101 HydrophobicContact CB-CB 4.02Å; I98-L101 HydrophobicContact CD1-CD2 4.48Å; I98-L101 HydrophobicContact CG2-CB 3.63Å; I98-L101 WeakPolarHBondContact O-CA 3.44Å; I98-L101 WeakPolarHBondContact O-CB 3.39Å; I98-L101 PolarHBondContact O-N 2.8Å; E99-L101 VanDerWaalsContact C-N 3.29Å; E99-L101 PolarHBondContact O-N 3.38Å; L101-H103 VanDerWaalsContact C-N 3.28Å; L101-H103 PolarHBondContact O-N 2.89Å; L101-C104 PolarHBondContact O-N 2.85Å; L101-L105 HydrophobicContact CD1-CD1 3.89Å; L101-L105 HydrophobicContact CD1-CG 4.17Å; L101-L105 HydrophobicContact CG-CD1 3.88Å; L101-L105 WeakPolarHBondContact O-CG 3.2Å; L101-L105 PolarHBondContact O-N 2.75Å
102I93.6Very high82.8Confident16 Ų1667.2 Ų67.28%0.08235%0.348CS..Hα-helixtrans-57.6-45.9174.1-63.1167.8000109.5A93 D94 I98 E99 L105 N106A93-I102 HydrophobicContact CB-CG1 3.84Å; D94-I102 WeakPolarHBondContact OD1-CD1 3.35Å; D94-I102 WeakPolarHBondContact OD1-CG1 3.28Å; I98-I102 WeakPolarHBondContact O-CG1 3.31Å; I98-I102 PolarHBondContact O-N 2.9Å; E99-I102 WeakPolarHBondContact O-CB 3.28Å; E99-I102 PolarHBondContact O-N 2.79Å; I102-L105 PolarHBondContact O-N 3.05Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.31Å; I102-N106 WeakPolarHBondContact O-CB 3.36Å; I102-N106 PolarHBondContact O-N 3.37Å; I102-N106 PolarHBondContact O-ND2 2.9Å
103H89.6Confident80.9Confident109 Ų10970.2 Ų70.251%0.50537%0.369SS..Hα-helixtrans-58.7-50.4175.5-175.658.6000111.8E99 L101 L105 N106 E107E99-H103 PolarHBondContact O-N 2.87Å; L101-H103 VanDerWaalsContact C-N 3.28Å; L101-H103 PolarHBondContact O-N 2.89Å; H103-L105 PolarHBondContact O-N 2.77Å; H103-N106 PolarHBondContact O-N 3Å; H103-E107 IonicContact CE1-OE1 3.41Å; H103-E107 PolarHBondContact CE1-OE1 2.8Å; H103-E107 IonicContact NE2-OE1 3.83Å; H103-E107 PolarHBondContact NE2-OE1 3Å; H103-E107 WeakPolarHBondContact O-CG 3.2Å; H103-E107 PolarHBondContact O-N 3.41Å
104C87.2Confident79.1Confident51 Ų5178.2 Ų78.235%0.34541%0.411SS..Hα-helixtrans-58.8-32176.5-69.20000114L77 P100 L101L77-C104 HydrophobicContact CB-CB 4.07Å; L77-C104 HydrophobicContact CD2-CB 3.85Å; P100-C104 PolarHBondContact O-N 2.79Å; P100-C104 PolarHBondContact O-SG 3.48Å; L101-C104 PolarHBondContact O-N 2.85Å
105L90.1Very high77.7Confident9 Ų978.5 Ų78.55%0.04741%0.412CS..Hα-helixtrans-82.3-15.4178.4-70.6165.2000113.3L77 T86 L89 R90 A93 L101 I102 H103L77-L105 HydrophobicContact CD1-CD2 4.37Å; L77-L105 HydrophobicContact CD2-CD2 3.61Å; L77-L105 HydrophobicContact CD2-CG 3.92Å; T86-L105 HydrophobicContact CG2-CD2 4.02Å; L89-L105 HydrophobicContact CD2-CD2 4.02Å; L89-L105 HydrophobicContact CG-CD1 4.07Å; L89-L105 HydrophobicContact CG-CD2 4.28Å; R90-L105 HydrophobicContact CB-CD1 4.35Å; R90-L105 HydrophobicContact CG-CB 4.47Å; R90-L105 PolarHBondContact NH2-O 3.5Å; A93-L105 HydrophobicContact CB-CD1 3.78Å; L101-L105 HydrophobicContact CD1-CD1 3.89Å; L101-L105 HydrophobicContact CD1-CG 4.17Å; L101-L105 HydrophobicContact CG-CD1 3.88Å; L101-L105 WeakPolarHBondContact O-CG 3.2Å; L101-L105 PolarHBondContact O-N 2.75Å; I102-L105 PolarHBondContact O-N 3.05Å; H103-L105 PolarHBondContact O-N 2.77Å
106N84.6Confident76.2Confident87 Ų8776.6 Ų76.647%0.46541%0.405SS..Hα-helixtrans-97.7-23.8177.1-69.8-20000112.5R90 I102 H103R90-N106 WeakPolarHBondContact CD-OD1 3.25Å; R90-N106 PolarHBondContact NE-OD1 2.69Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.31Å; I102-N106 WeakPolarHBondContact O-CB 3.36Å; I102-N106 PolarHBondContact O-N 3.37Å; I102-N106 PolarHBondContact O-ND2 2.9Å; H103-N106 PolarHBondContact O-N 3Å
107E73.8Confident75.3Confident109 Ų10980.7 Ų80.751%0.50942%0.423SS..SBendtrans-56.9124.1168.7-73.3-86.3128.900108.8H103 K109H103-E107 IonicContact CE1-OE1 3.41Å; H103-E107 PolarHBondContact CE1-OE1 2.8Å; H103-E107 IonicContact NE2-OE1 3.83Å; H103-E107 PolarHBondContact NE2-OE1 3Å; H103-E107 WeakPolarHBondContact O-CG 3.2Å; H103-E107 PolarHBondContact O-N 3.41Å; E107-K109 PolarHBondContact O-N 3.21Å; E107-K109 VanDerWaalsContact O-N 3.07Å
108P57.7Low74.7Confident112 Ų11278.2 Ų78.273%0.72741%0.408SS*.  trans-58.7120.7174.822.7-29.8000107.9
109K54.2Low74.4Confident123 Ų12379.9 Ų79.954%0.53542%0.416SS..  trans-45.3122.2171-75.7-178.7-177.8175.30106.7E107 L111E107-K109 PolarHBondContact O-N 3.21Å; E107-K109 VanDerWaalsContact O-N 3.07Å; K109-L111 PolarHBondContact O-N 3.26Å; K109-L111 VanDerWaalsContact O-N 3.07Å
110P48.4Very low74.3Confident98 Ų9876.2 Ų76.264%0.63640%0.403SS*.  trans-54.4127.5173.620.5-29.1000106.2Y112P110-Y112 PolarHBondContact O-N 3.06Å
111L49Very low74.6Confident158 Ų15873.8 Ų73.883%0.82739%0.387SS*.SBendtrans-61.11-176.4-71.7168.4000112.9K109K109-L111 PolarHBondContact O-N 3.26Å; K109-L111 VanDerWaalsContact O-N 3.07Å
112Y53Low74.7Confident91 Ų9177.5 Ų77.536%0.35740%0.404SS..SBendtrans-138.2146.4-176.6-53.1-74.2000110.8P110 I116P110-Y112 PolarHBondContact O-N 3.06Å; Y112-I116 WeakPolarHBondContact CB-O 3.27Å; Y112-I116 HydrophobicContact CD1-CG2 4.15Å; Y112-I116 HydrophobicContact CG-CG2 4.03Å
113P58Low74.7Confident75 Ų7576.7 Ų76.749%0.48740%0.4SS..  trans-43.7149167.3-31.536.6000113.5D115 I116P113-D115 WeakPolarHBondContact CB-OD1 3.41Å; P113-D115 PolarHBondContact O-N 2.87Å; P113-I116 HydrophobicContact CB-CD1 4.29Å; P113-I116 HydrophobicContact CB-CG1 4.32Å; P113-I116 HydrophobicContact CG-CD1 4.04Å; P113-I116 CarbonylContact O-C 3.5Å; P113-I116 WeakPolarHBondContact O-CA 3.32Å; P113-I116 PolarHBondContact O-N 2.96Å; P113-I116 VanDerWaalsContact O-O 3.06Å
114L60.4Low74.9Confident168 Ų16872.1 Ų72.188%0.8838%0.381SS*.THydrogen-bonded Turntrans-56.1-24.3-175.7-78.4162.8000114.8
115D68.1Low75.1Confident75 Ų7569.7 Ų69.740%0.40136%0.364SS..THydrogen-bonded Turntrans-82.2-1717561.7-48.8000112.8P113 R233 K234P113-D115 WeakPolarHBondContact CB-OD1 3.41Å; P113-D115 PolarHBondContact O-N 2.87Å; D115-R233 CarbonylContact O-C 3.57Å; D115-R233 WeakPolarHBondContact O-CA 3.33Å; D115-K234 PolarHBondContact O-N 2.91Å
116I65.7Low75.1Confident36 Ų3671.1 Ų71.119%0.18537%0.373CS..EExtended strand (participates in β ladder)trans-102.6109.7179.6-59.2178.5000109.4Y112 P113 P231 A232 R233Y112-I116 WeakPolarHBondContact CB-O 3.27Å; Y112-I116 HydrophobicContact CD1-CG2 4.15Å; Y112-I116 HydrophobicContact CG-CG2 4.03Å; P113-I116 HydrophobicContact CB-CD1 4.29Å; P113-I116 HydrophobicContact CB-CG1 4.32Å; P113-I116 HydrophobicContact CG-CD1 4.04Å; P113-I116 CarbonylContact O-C 3.5Å; P113-I116 WeakPolarHBondContact O-CA 3.32Å; P113-I116 PolarHBondContact O-N 2.96Å; P113-I116 VanDerWaalsContact O-O 3.06Å; I116-P231 HydrophobicContact CG2-CB 3.77Å; I116-A232 CarbonylContact C-O 3.52Å; I116-A232 VanDerWaalsContact CA-O 3.25Å; I116-A232 WeakPolarHBondContact CA-O 3.5Å; I116-R233 HydrophobicContact CG1-CG 3.86Å
117F76.9Confident75.1Confident87 Ų8769.6 Ų69.638%0.38236%0.361SS..EExtended strand (participates in β ladder)trans-106.5167.5169.568.1-82.4000110.2Q119 A232 K234F117-Q119 HydrophobicContact CD2-CG 4.22Å; F117-Q119 HydrophobicContact CE2-CG 3.52Å; F117-Q119 HydrophobicContact CZ-CG 4.19Å; F117-A232 WeakPolarHBondContact CD1-O 3.46Å; F117-A232 HydrophobicContact CE1-CB 4.14Å; F117-A232 HydrophobicContact CE2-CB 4.16Å; F117-A232 HydrophobicContact CZ-CB 3.94Å; F117-A232 PolarHBondContact N-O 2.95Å; F117-A232 PolarHBondContact O-N 3.1Å; F117-A232 VanDerWaalsContact O-O 3.05Å; F117-K234 HydrophobicContact CD1-CG 4.07Å; F117-K234 HydrophobicContact CE1-CG 4.08Å
118E82.6Confident75.6Confident52 Ų5268 Ų6824%0.24335%0.352CS..EExtended strand (participates in β ladder)trans-99.1125.3177.4-160.8-171.1126.500110.9R206 C229E118-R206 IonicContact OE1-CZ 2.64Å; E118-R206 IonicContact OE1-NE 2.74Å; E118-R206 IonicContact OE1-NH1 2.82Å; E118-R206 PolarHBondContact OE1-NH1 3.34Å; E118-R206 IonicContact OE1-NH2 2.7Å; E118-R206 PolarHBondContact OE1-NH2 3.36Å; E118-R206 IonicContact OE2-CZ 2.94Å; E118-R206 IonicContact OE2-NH1 3.08Å; E118-R206 PolarHBondContact OE2-NH1 2.84Å; E118-R206 IonicContact OE2-NH2 3.77Å; E118-R206 PolarHBondContact OE2-NH2 3.05Å; E118-C229 HydrophobicContact CG-CB 3.92Å; E118-C229 WeakPolarHBondContact OE1-CB 3.39Å
119Q91.3Very high76.4Confident36 Ų3665.1 Ų65.117%0.16833%0.331CS..EExtended strand (participates in β ladder)trans-86.4133.2167.4-74.5177.7-5.400109.2F117 V149 F203 C229 R230 A232F117-Q119 HydrophobicContact CD2-CG 4.22Å; F117-Q119 HydrophobicContact CE2-CG 3.52Å; F117-Q119 HydrophobicContact CZ-CG 4.19Å; Q119-V149 HydrophobicContact CB-CG2 3.84Å; Q119-V149 HydrophobicContact CG-CG2 3.8Å; Q119-F203 HydrophobicContact CB-CE1 3.93Å; Q119-F203 HydrophobicContact CB-CZ 4.11Å; Q119-F203 WeakPolarHBondContact O-CE1 3.47Å; Q119-C229 WeakPolarHBondContact O-CA 3.42Å; Q119-R230 HydrophobicContact CB-CG 4.07Å; Q119-R230 PolarHBondContact N-O 3.06Å; Q119-R230 PolarHBondContact O-N 3.4Å; Q119-A232 HydrophobicContact CB-CB 4.48Å; Q119-A232 VanDerWaalsContact CD-CB 3.43Å; Q119-A232 HydrophobicContact CG-CB 3.63Å
120V92.1Very high76.9Confident57 Ų5760.4 Ų60.435%0.34531%0.313SS..EExtended strand (participates in β ladder)trans-116.4139.7-179.2-177.70000109.9E122 T147 T227 F228V120-E122 HydrophobicContact CG1-CG 4.3Å; V120-T147 PolarHBondContact O-OG1 3.08Å; V120-T147 VanDerWaalsContact O-OG1 3.06Å; V120-T227 HydrophobicContact CG1-CG2 3.7Å; V120-F228 WeakPolarHBondContact CA-O 3.23Å
121V95.9Very high77.5Confident0 Ų061.5 Ų61.50%031%0.308CS..EExtended strand (participates in β ladder)trans-126.9127.8169.2179.50000107.2I145 T147 L152 I198 F203 F228V121-I145 HydrophobicContact CG1-CG2 3.94Å; V121-T147 WeakPolarHBondContact CG2-OG1 3.39Å; V121-L152 HydrophobicContact CB-CD2 4.33Å; V121-L152 HydrophobicContact CG1-CD2 4.08Å; V121-L152 HydrophobicContact CG2-CD2 3.3Å; V121-I198 HydrophobicContact CB-CG2 4.48Å; V121-I198 HydrophobicContact CG1-CD1 3.92Å; V121-I198 HydrophobicContact CG1-CG1 4.37Å; V121-I198 HydrophobicContact CG1-CG2 4.42Å; V121-F203 HydrophobicContact CB-CD1 4.49Å; V121-F203 HydrophobicContact CB-CE1 4.4Å; V121-F203 HydrophobicContact CG2-CD1 3.87Å; V121-F203 HydrophobicContact CG2-CD2 4.5Å; V121-F203 HydrophobicContact CG2-CE1 3.42Å; V121-F203 VanDerWaalsContact CG2-CE1 3.42Å; V121-F203 HydrophobicContact CG2-CE2 4.11Å; V121-F203 HydrophobicContact CG2-CG 4.4Å; V121-F203 HydrophobicContact CG2-CZ 3.56Å; V121-F228 HydrophobicContact CB-CB 4.04Å; V121-F228 PolarHBondContact N-O 3.19Å; V121-F228 WeakPolarHBondContact O-CB 3.5Å; V121-F228 PolarHBondContact O-N 2.95Å
122E96Very high77.7Confident78 Ų7862.1 Ų62.136%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-106.2133.9173-65.3179.2173.600108.5V120 I145 T146 H225 W226V120-E122 HydrophobicContact CG1-CG 4.3Å; E122-I145 CarbonylContact O-C 3.59Å; E122-I145 VanDerWaalsContact O-CA 3.28Å; E122-I145 WeakPolarHBondContact O-CA 2.99Å; E122-T146 PolarHBondContact N-O 2.84Å; E122-T146 PolarHBondContact O-N 2.85Å; E122-H225 IonicContact OE2-CE1 2.8Å; E122-W226 WeakPolarHBondContact CA-O 3.36Å
123L95.3Very high77.5Confident0 Ų064.2 Ų64.20%033%0.328CS..EExtended strand (participates in β ladder)trans-123.4122169.5173.246.1000107.4L143 T144 I145 L194 M195 I198 W226 F228L123-L143 HydrophobicContact CD1-CD2 4.33Å; L123-T144 CarbonylContact C-O 3.57Å; L123-T144 VanDerWaalsContact CA-O 3.28Å; L123-T144 WeakPolarHBondContact CA-O 3.38Å; L123-T144 WeakPolarHBondContact CD1-O 3.28Å; L123-I145 HydrophobicContact CD1-CG1 3.84Å; L123-L194 HydrophobicContact CD2-CB 3.98Å; L123-L194 HydrophobicContact CD2-CD1 4.45Å; L123-M195 HydrophobicContact CB-CE 4.11Å; L123-M195 HydrophobicContact CD2-CE 3.3Å; L123-M195 HydrophobicContact CD2-CG 4.36Å; L123-M195 HydrophobicContact CD2-SD 3.43Å; L123-M195 WeakPolarHBondContact CD2-SD 3.32Å; L123-M195 HydrophobicContact CG-CE 3.61Å; L123-M195 HydrophobicContact CG-SD 4.28Å; L123-I198 HydrophobicContact CD2-CD1 4.27Å; L123-W226 HydrophobicContact CG-CE3 4.4Å; L123-W226 PolarHBondContact N-O 2.93Å; L123-W226 PolarHBondContact O-N 3.31Å; L123-F228 HydrophobicContact CB-CE2 4.43Å
124S93.3Very high77Confident13 Ų1366.5 Ų66.59%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-117.1150.4172.372.80000112.2L143 T144 E223 H224S124-L143 CarbonylContact O-C 3.49Å; S124-L143 VanDerWaalsContact O-CA 3.28Å; S124-L143 WeakPolarHBondContact O-CA 3.4Å; S124-T144 PolarHBondContact N-O 3.07Å; S124-T144 PolarHBondContact O-N 3.03Å; S124-E223 WeakPolarHBondContact CB-OE1 3.47Å; S124-H224 CarbonylContact C-O 3.51Å; S124-H224 WeakPolarHBondContact CA-O 3.46Å
125S92Very high76.6Confident0 Ų064.5 Ų64.50%033%0.333CS..EExtended strand (participates in β ladder)trans-125.8103.2174.1168.70000108.1Q142 E223 H224S125-Q142 CarbonylContact C-O 3.53Å; S125-Q142 WeakPolarHBondContact CA-O 3.45Å; S125-E223 WeakPolarHBondContact O-CA 3.48Å; S125-H224 PolarHBondContact N-O 2.8Å; S125-H224 PolarHBondContact O-N 2.87Å
126T89.2Confident75.9Confident38 Ų3866.1 Ų66.123%0.23335%0.346CS..EExtended strand (participates in β ladder)trans-100.1119.1179.6-53.10000109.8T141 Q142 T221T126-T141 CarbonylContact O-C 3.46Å; T126-T141 VanDerWaalsContact O-CA 3.25Å; T126-T141 WeakPolarHBondContact O-CA 3.42Å; T126-Q142 PolarHBondContact N-O 2.77Å; T126-Q142 PolarHBondContact O-N 3.42Å; T126-T221 HydrophobicContact CG2-CG2 3.6Å
127R85.3Confident75.6Confident55 Ų5566.6 Ų66.621%0.20836%0.355CS..EExtended strand (participates in β ladder)trans-104.4114.3172.3-78.6177.5177.3-110.1-8.4109.3I140 T141 E187 T221 V222R127-I140 WeakPolarHBondContact CA-O 3.27Å; R127-T141 HydrophobicContact CG-CG2 3.67Å; R127-T141 WeakPolarHBondContact CG-OG1 3.49Å; R127-E187 IonicContact CZ-OE2 3.02Å; R127-E187 IonicContact NH2-OE2 3.62Å; R127-E187 PolarHBondContact NH2-OE2 2.76Å; R127-T221 CarbonylContact O-C 3.57Å; R127-T221 VanDerWaalsContact O-CA 3.28Å; R127-T221 WeakPolarHBondContact O-CA 3.16Å; R127-V222 PolarHBondContact N-O 2.9Å; R127-V222 PolarHBondContact O-N 3.28Å
128K82.4Confident74.9Confident76 Ų7665 Ų6533%0.3335%0.353SS..EExtended strand (participates in β ladder)trans-105.7119.8174.8-170.3163.4-177.4160.20109.8I140 E215 E219K128-I140 PolarHBondContact N-O 3.25Å; K128-I140 PolarHBondContact O-N 3.14Å; K128-I140 VanDerWaalsContact O-N 3.07Å; K128-E215 IonicContact NZ-OE2 3.46Å; K128-E219 WeakPolarHBondContact CE-OE2 3.3Å; K128-E219 IonicContact NZ-OE2 2.69Å; K128-E219 PolarHBondContact NZ-OE2 2.8Å
129L75.4Confident74.3Confident52 Ų5265.8 Ų65.827%0.27236%0.358SS..EExtended strand (participates in β ladder)trans-93.3111.3170.2-175.972.2000108.4A137 I139 E219 N220L129-A137 HydrophobicContact CD1-CB 3.65Å; L129-A137 HydrophobicContact CG-CB 4.36Å; L129-I139 HydrophobicContact CD1-CD1 4.39Å; L129-I139 HydrophobicContact CD1-CG1 3.69Å; L129-E219 WeakPolarHBondContact O-CA 3Å; L129-N220 HydrophobicContact CB-CB 4.33Å; L129-N220 WeakPolarHBondContact CB-O 3.38Å; L129-N220 HydrophobicContact CD2-CB 4.42Å; L129-N220 PolarHBondContact N-O 3.28Å; L129-N220 PolarHBondContact O-N 3.02Å
130S64.9Low73.7Confident23 Ų2368 Ų6816%0.16137%0.369CS..EExtended strand (participates in β ladder)trans-105.7121.6173.7-179.10000110.7Y132 A137 V138S130-Y132 PolarHBondContact O-N 2.93Å; S130-Y132 VanDerWaalsContact OG-CD2 3.27Å; S130-Y132 WeakPolarHBondContact OG-CD2 3.29Å; S130-Y132 WeakPolarHBondContact OG-CE2 3.39Å; S130-A137 WeakPolarHBondContact O-CA 3.25Å; S130-V138 PolarHBondContact N-O 3.5Å; S130-V138 PolarHBondContact O-N 3.07Å
131K60.2Low73.4Confident122 Ų12265.4 Ų65.453%0.5335%0.354SS..  trans-90.486.9164.1-63.1179.3-176.4175.50108.2A137 N218K131-A137 HydrophobicContact CG-CB 4.49Å; K131-N218 HydrophobicContact CB-CB 4.33Å; K131-N218 HydrophobicContact CD-CB 4.43Å
132Y53.6Low73.1Confident171 Ų17168.3 Ų68.367%0.67137%0.367SS*.  trans-64.3163.2164.4-92.6-85.3000109.6S130 N134S130-Y132 PolarHBondContact O-N 2.93Å; S130-Y132 VanDerWaalsContact OG-CD2 3.27Å; S130-Y132 WeakPolarHBondContact OG-CD2 3.29Å; S130-Y132 WeakPolarHBondContact OG-CE2 3.39Å; Y132-N134 PolarHBondContact O-N 3.34Å
133S49.2Very low72.9Confident134 Ų13464.6 Ų64.694%0.93735%0.35SS*.SBendtrans-59.715.2179.443.90000115.9
134N47.1Very low72.8Confident123 Ų12365 Ų6566%0.65835%0.353SS*.SBendtrans-125145.1177.7-140.7-4.3000107.5Y132 V136Y132-N134 PolarHBondContact O-N 3.34Å; N134-V136 PolarHBondContact O-N 3.23Å
135P52.1Low72.9Confident126 Ų12664.4 Ų64.482%0.81835%0.349SS*.SBendtrans-71.610.4-159.829.6-33.7000115.7
136V53.1Low73Confident109 Ų10966.9 Ų66.966%0.66136%0.364SS*.  trans-111.7108.9-177.7-172.40000108.9N134 V138N134-V136 PolarHBondContact O-N 3.23Å; V136-V138 PolarHBondContact O-N 3.3Å
137A59.1Low73.1Confident46 Ų4665.3 Ų65.338%0.3835%0.354SS..  trans-65.9131.9171.900000110L129 S130 K131L129-A137 HydrophobicContact CD1-CB 3.65Å; L129-A137 HydrophobicContact CG-CB 4.36Å; S130-A137 WeakPolarHBondContact O-CA 3.25Å; K131-A137 HydrophobicContact CG-CB 4.49Å
138V62.9Low73.4Confident55 Ų5571 Ų7133%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-98.8124.8176.3-175.30000108.3S130 V136 I140 P181S130-V138 PolarHBondContact N-O 3.5Å; S130-V138 PolarHBondContact O-N 3.07Å; V136-V138 PolarHBondContact O-N 3.3Å; V138-I140 HydrophobicContact CG1-CG1 4.02Å; V138-P181 HydrophobicContact CG1-CG 3.83Å
139I70.1Confident73.8Confident68 Ų6868 Ų6835%0.34937%0.368SS..EExtended strand (participates in β ladder)trans-98.1114.3173-58.6173.1000107.7L129 G180 P181L129-I139 HydrophobicContact CD1-CD1 4.39Å; L129-I139 HydrophobicContact CD1-CG1 3.69Å; I139-G180 CarbonylContact O-C 3.54Å; I139-P181 WeakPolarHBondContact O-CD 3.45Å; I139-P181 WeakPolarHBondContact O-CG 3.43Å
140I78.2Confident74.4Confident81 Ų8170.1 Ų70.142%0.41538%0.377SS..EExtended strand (participates in β ladder)trans-107.2127.8169.9-58.1178.2000107R127 K128 V138 T178 F179R127-I140 WeakPolarHBondContact CA-O 3.27Å; K128-I140 PolarHBondContact N-O 3.25Å; K128-I140 PolarHBondContact O-N 3.14Å; K128-I140 VanDerWaalsContact O-N 3.07Å; V138-I140 HydrophobicContact CG1-CG1 4.02Å; I140-T178 HydrophobicContact CG2-CG2 3.71Å; I140-F179 WeakPolarHBondContact CA-O 3.48Å
141T85.3Confident75.7Confident4 Ų472.7 Ų72.73%0.02540%0.399CS..EExtended strand (participates in β ladder)trans-111.8130.7172.9-470000109.4T126 R127 F179 E187T126-T141 CarbonylContact O-C 3.46Å; T126-T141 VanDerWaalsContact O-CA 3.25Å; T126-T141 WeakPolarHBondContact O-CA 3.42Å; R127-T141 HydrophobicContact CG-CG2 3.67Å; R127-T141 WeakPolarHBondContact CG-OG1 3.49Å; T141-F179 PolarHBondContact N-O 2.77Å; T141-F179 PolarHBondContact O-N 3.44Å; T141-E187 HydrophobicContact CG2-CG 3.65Å
142Q90.1Very high77.2Confident60 Ų6067 Ų6728%0.2838%0.375SS..EExtended strand (participates in β ladder)trans-117.7123.6173.8-173.8177.7-31.700109.4S125 T126 T144 S176 F177S125-Q142 CarbonylContact C-O 3.53Å; S125-Q142 WeakPolarHBondContact CA-O 3.45Å; T126-Q142 PolarHBondContact N-O 2.77Å; T126-Q142 PolarHBondContact O-N 3.42Å; Q142-T144 PolarHBondContact NE2-OG1 3.13Å; Q142-T144 VanDerWaalsContact NE2-OG1 3.15Å; Q142-S176 PolarHBondContact NE2-OG 3.02Å; Q142-F177 CarbonylContact C-O 3.55Å; Q142-F177 VanDerWaalsContact CA-O 3.31Å; Q142-F177 WeakPolarHBondContact CA-O 3.48Å
143L93.1Very high79Confident0 Ų059.5 Ų59.50%035%0.346CS..EExtended strand (participates in β ladder)trans-96.7124.5167.6-71.7173.6000108.9L123 S124 S176 F177 F179 E187 L190 R191L123-L143 HydrophobicContact CD1-CD2 4.33Å; S124-L143 CarbonylContact O-C 3.49Å; S124-L143 VanDerWaalsContact O-CA 3.28Å; S124-L143 WeakPolarHBondContact O-CA 3.4Å; L143-S176 CarbonylContact O-C 3.54Å; L143-S176 VanDerWaalsContact O-CA 3.31Å; L143-S176 WeakPolarHBondContact O-CA 3.24Å; L143-F177 HydrophobicContact CB-CB 4.39Å; L143-F177 PolarHBondContact N-O 2.85Å; L143-F177 PolarHBondContact O-N 3.41Å; L143-F179 HydrophobicContact CD1-CE2 3.93Å; L143-F179 HydrophobicContact CG-CE2 4.3Å; L143-E187 HydrophobicContact CD1-CG 3.92Å; L143-E187 HydrophobicContact CG-CG 4.06Å; L143-L190 HydrophobicContact CD1-CB 4.22Å; L143-L190 HydrophobicContact CD1-CD2 4.07Å; L143-L190 HydrophobicContact CD1-CG 4.07Å; L143-R191 HydrophobicContact CD1-CB 3.93Å; L143-R191 HydrophobicContact CD2-CB 4.15Å; L143-R191 HydrophobicContact CD2-CG 4.1Å
144T93.1Very high80.8Confident10 Ų1057.4 Ų57.46%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-125.8125.3-175.3-60.40000109.5L123 S124 Q142 Q174 S176L123-T144 CarbonylContact C-O 3.57Å; L123-T144 VanDerWaalsContact CA-O 3.28Å; L123-T144 WeakPolarHBondContact CA-O 3.38Å; L123-T144 WeakPolarHBondContact CD1-O 3.28Å; S124-T144 PolarHBondContact N-O 3.07Å; S124-T144 PolarHBondContact O-N 3.03Å; Q142-T144 PolarHBondContact NE2-OG1 3.13Å; Q142-T144 VanDerWaalsContact NE2-OG1 3.15Å; T144-Q174 HydrophobicContact CG2-CG 3.91Å; T144-S176 PolarHBondContact OG1-OG 3.13Å
145I94.5Very high82.9Confident0 Ų052 Ų520%030%0.295CS..EExtended strand (participates in β ladder)trans-107.7128.6172.5-57.3165.6000108V121 E122 L123 I156 Q174 V175 F177 L194V121-I145 HydrophobicContact CG1-CG2 3.94Å; E122-I145 CarbonylContact O-C 3.59Å; E122-I145 VanDerWaalsContact O-CA 3.28Å; E122-I145 WeakPolarHBondContact O-CA 2.99Å; L123-I145 HydrophobicContact CD1-CG1 3.84Å; I145-I156 HydrophobicContact CD1-CD1 3.68Å; I145-I156 HydrophobicContact CD1-CG1 4.44Å; I145-I156 HydrophobicContact CD1-CG2 4.14Å; I145-I156 HydrophobicContact CG2-CD1 4.12Å; I145-Q174 CarbonylContact O-C 3.55Å; I145-Q174 VanDerWaalsContact O-CA 3.27Å; I145-Q174 WeakPolarHBondContact O-CA 3.45Å; I145-V175 PolarHBondContact N-O 3.36Å; I145-V175 PolarHBondContact O-N 2.95Å; I145-F177 HydrophobicContact CD1-CE2 4.37Å; I145-L194 HydrophobicContact CD1-CD1 3.81Å; I145-L194 HydrophobicContact CD1-CD2 3.53Å; I145-L194 HydrophobicContact CD1-CG 4.19Å; I145-L194 HydrophobicContact CG1-CD1 4.41Å
146T93.9Very high84.8Confident51 Ų5146 Ų4631%0.31326%0.256SS..EExtended strand (participates in β ladder)trans-123.4124175.1-53.40000109.3E122 F173E122-T146 PolarHBondContact N-O 2.84Å; E122-T146 PolarHBondContact O-N 2.85Å; T146-F173 CarbonylContact C-O 3.56Å; T146-F173 VanDerWaalsContact CA-O 3.29Å; T146-F173 WeakPolarHBondContact CA-O 3.49Å
147T92.5Very high86.3Confident5 Ų542.9 Ų42.93%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-159.5146.6177.8-173.80000112.6V120 V121 V149 L152 L153 F173V120-T147 PolarHBondContact O-OG1 3.08Å; V120-T147 VanDerWaalsContact O-OG1 3.06Å; V121-T147 WeakPolarHBondContact CG2-OG1 3.39Å; T147-V149 VanDerWaalsContact C-N 3.27Å; T147-V149 PolarHBondContact OG1-N 3Å; T147-V149 VanDerWaalsContact OG1-N 3.13Å; T147-L152 HydrophobicContact CG2-CD2 4.19Å; T147-L153 HydrophobicContact CG2-CD1 4.17Å; T147-L153 HydrophobicContact CG2-CD2 3.75Å; T147-L153 HydrophobicContact CG2-CG 3.63Å; T147-F173 PolarHBondContact N-O 2.55Å; T147-F173 VanDerWaalsContact O-CA 3.25Å; T147-F173 WeakPolarHBondContact O-CA 3.25Å; T147-F173 WeakPolarHBondContact O-CB 3.36Å; T147-F173 WeakPolarHBondContact O-CD1 3.35Å
148K90.4Very high87.7Confident174 Ų17447.2 Ų47.276%0.75725%0.249SC*.SBendtrans-82.7-1.9170.6-64.6-176.9179.4179.30113.8Q150 F173K148-Q150 PolarHBondContact O-N 3.46Å; K148-F173 HydrophobicContact CB-CD1 4.26Å; K148-F173 HydrophobicContact CB-CE1 4.35Å; K148-F173 HydrophobicContact CG-CD1 4.22Å; K148-F173 HydrophobicContact CG-CE1 4.44Å; K148-F173 HydrophobicContact CG-CG 4.39Å
149V91.4Very high89Confident14 Ų1449.6 Ų49.69%0.08526%0.26CS..  trans-88.193.5-176.6-174.80000109.9Q119 T147 A151 L152 L153 F203Q119-V149 HydrophobicContact CB-CG2 3.84Å; Q119-V149 HydrophobicContact CG-CG2 3.8Å; T147-V149 VanDerWaalsContact C-N 3.27Å; T147-V149 PolarHBondContact OG1-N 3Å; T147-V149 VanDerWaalsContact OG1-N 3.13Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.26Å; V149-L152 HydrophobicContact CB-CB 4.05Å; V149-L152 HydrophobicContact CG1-CB 3.89Å; V149-L152 WeakPolarHBondContact O-CB 3.5Å; V149-L152 PolarHBondContact O-N 3.08Å; V149-L153 PolarHBondContact O-N 3.03Å; V149-F203 HydrophobicContact CG2-CZ 4.11Å
150Q88.5Confident90Very high96 Ų9647.1 Ų47.145%0.44925%0.246SC..Hα-helixtrans-55.8-44.2-174.3-16867.51.400113.4K148 L152 L153 E154K148-Q150 PolarHBondContact O-N 3.46Å; Q150-L152 PolarHBondContact O-N 3.47Å; Q150-L153 WeakPolarHBondContact O-CB 3.21Å; Q150-L153 PolarHBondContact O-N 3.22Å; Q150-L153 VanDerWaalsContact O-N 3.13Å; Q150-E154 PolarHBondContact O-N 3.21Å
151A90.8Very high90.4Very high77 Ų7747.1 Ų47.164%0.63625%0.25SS*.Hα-helixtrans-59.6-31.2177.800000113V149 G155V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.26Å; A151-G155 PolarHBondContact O-N 2.97Å
152L92.9Very high90.5Very high4 Ų455 Ų552%0.02128%0.284CS..Hα-helixtrans-71.4-45.1176.5-174.769.9000110.9V121 T147 V149 Q150 G155 I156 Y197 Q201 F203V121-L152 HydrophobicContact CB-CD2 4.33Å; V121-L152 HydrophobicContact CG1-CD2 4.08Å; V121-L152 HydrophobicContact CG2-CD2 3.3Å; T147-L152 HydrophobicContact CG2-CD2 4.19Å; V149-L152 HydrophobicContact CB-CB 4.05Å; V149-L152 HydrophobicContact CG1-CB 3.89Å; V149-L152 WeakPolarHBondContact O-CB 3.5Å; V149-L152 PolarHBondContact O-N 3.08Å; Q150-L152 PolarHBondContact O-N 3.47Å; L152-G155 PolarHBondContact O-N 3.04Å; L152-I156 HydrophobicContact CG-CD1 4.01Å; L152-I156 WeakPolarHBondContact O-CD1 3.34Å; L152-I156 VanDerWaalsContact O-CG1 3.32Å; L152-I156 WeakPolarHBondContact O-CG1 3.35Å; L152-I156 PolarHBondContact O-N 3.41Å; L152-Y197 HydrophobicContact CD1-CD1 4.16Å; L152-Y197 HydrophobicContact CD1-CE1 3.69Å; L152-Q201 HydrophobicContact CD1-CB 4.14Å; L152-Q201 HydrophobicContact CD1-CG 3.63Å; L152-F203 HydrophobicContact CD2-CE2 4.13Å; L152-F203 HydrophobicContact CD2-CZ 4.44Å
153L89.8Confident90.3Very high13 Ų1352.6 Ų52.67%0.06827%0.273CS..Hα-helixtrans-58.5-50.1176.7-69.5164.3000111.1T147 V149 Q150 G155 I156 C157 V175T147-L153 HydrophobicContact CG2-CD1 4.17Å; T147-L153 HydrophobicContact CG2-CD2 3.75Å; T147-L153 HydrophobicContact CG2-CG 3.63Å; V149-L153 PolarHBondContact O-N 3.03Å; Q150-L153 WeakPolarHBondContact O-CB 3.21Å; Q150-L153 PolarHBondContact O-N 3.22Å; Q150-L153 VanDerWaalsContact O-N 3.13Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-G155 PolarHBondContact O-N 2.92Å; L153-I156 PolarHBondContact O-N 3.37Å; L153-I156 VanDerWaalsContact O-N 3.16Å; L153-C157 PolarHBondContact O-N 3.06Å; L153-C157 PolarHBondContact O-SG 3.21Å; L153-C157 VanDerWaalsContact O-SG 3.4Å; L153-V175 HydrophobicContact CD2-CG2 3.79Å
154E87.9Confident89.7Confident89 Ų8956.5 Ų56.542%0.41629%0.294SS..Hα-helixtrans-59.8-42.2177-71.3-175.6-155.800112Q150 I156 C157 K158Q150-E154 PolarHBondContact O-N 3.21Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 PolarHBondContact O-N 2.95Å; E154-C157 PolarHBondContact O-N 3.46Å; E154-K158 WeakPolarHBondContact O-CB 3.4Å; E154-K158 VanDerWaalsContact O-CG 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.41Å; E154-K158 PolarHBondContact O-N 3.19Å; E154-K158 IonicContact OE2-NZ 3.22Å; E154-K158 PolarHBondContact OE2-NZ 3.3Å
155G91.4Very high89.2Confident9 Ų963 Ų639%0.09332%0.321CS..Hα-helixtrans-62.8-38176.800000112.6A151 L152 L153 K158 N159 Y197A151-G155 PolarHBondContact O-N 2.97Å; L152-G155 PolarHBondContact O-N 3.04Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-G155 PolarHBondContact O-N 2.92Å; G155-K158 PolarHBondContact O-N 2.97Å; G155-N159 VanDerWaalsContact O-CB 3.25Å; G155-N159 WeakPolarHBondContact O-CB 3.44Å; G155-N159 PolarHBondContact O-N 3.13Å; G155-N159 PolarHBondContact O-ND2 3.04Å; G155-Y197 VanDerWaalsContact CA-OH 3.31Å; G155-Y197 WeakPolarHBondContact CA-OH 3.35Å
156I90.8Very high88.7Confident0 Ų063.8 Ų63.80%033%0.325CS..Hα-helixtrans-64.9-49.8174.4-69.7157.5000110I145 L152 L153 E154 K158 N159 F160 F177 L194 Y197I145-I156 HydrophobicContact CD1-CD1 3.68Å; I145-I156 HydrophobicContact CD1-CG1 4.44Å; I145-I156 HydrophobicContact CD1-CG2 4.14Å; I145-I156 HydrophobicContact CG2-CD1 4.12Å; L152-I156 HydrophobicContact CG-CD1 4.01Å; L152-I156 WeakPolarHBondContact O-CD1 3.34Å; L152-I156 VanDerWaalsContact O-CG1 3.32Å; L152-I156 WeakPolarHBondContact O-CG1 3.35Å; L152-I156 PolarHBondContact O-N 3.41Å; L153-I156 PolarHBondContact O-N 3.37Å; L153-I156 VanDerWaalsContact O-N 3.16Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 PolarHBondContact O-N 2.95Å; I156-K158 VanDerWaalsContact C-N 3.25Å; I156-K158 PolarHBondContact O-N 3.2Å; I156-N159 PolarHBondContact O-N 3.18Å; I156-F160 HydrophobicContact CB-CD2 4.44Å; I156-F160 HydrophobicContact CG2-CD2 4.17Å; I156-F160 WeakPolarHBondContact O-CB 3.42Å; I156-F160 WeakPolarHBondContact O-CD2 3.23Å; I156-F160 PolarHBondContact O-N 3.29Å; I156-F177 HydrophobicContact CG2-CE2 4.48Å; I156-F177 HydrophobicContact CG2-CZ 4.23Å; I156-L194 HydrophobicContact CG1-CD2 4.46Å; I156-L194 HydrophobicContact CG2-CD2 4.04Å; I156-Y197 HydrophobicContact CG1-CD1 4.01Å; I156-Y197 HydrophobicContact CG1-CE1 3.86Å
157C85.8Confident88.2Confident45 Ų4563.5 Ų63.530%0.30432%0.32SS..Hα-helixtrans-59.6-36.1179.5-66.50000112.6L153 E154L153-C157 PolarHBondContact O-N 3.06Å; L153-C157 PolarHBondContact O-SG 3.21Å; L153-C157 VanDerWaalsContact O-SG 3.4Å; E154-C157 PolarHBondContact O-N 3.46Å
158K88Confident87.4Confident137 Ų13769.5 Ų69.560%0.59635%0.35SS*.Hα-helixtrans-78.1-39.6179.5-71.2168.2-177163.70113.4E154 G155 I156 T161E154-K158 WeakPolarHBondContact O-CB 3.4Å; E154-K158 VanDerWaalsContact O-CG 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.41Å; E154-K158 PolarHBondContact O-N 3.19Å; E154-K158 IonicContact OE2-NZ 3.22Å; E154-K158 PolarHBondContact OE2-NZ 3.3Å; G155-K158 PolarHBondContact O-N 2.97Å; I156-K158 VanDerWaalsContact C-N 3.25Å; I156-K158 PolarHBondContact O-N 3.2Å; K158-T161 WeakPolarHBondContact O-CG2 3.49Å
159N90.5Very high86.6Confident104 Ų10462.8 Ų62.856%0.55632%0.322SS*.Hα-helixtrans-89.5-20.3-173-69.8-54.1000114.1G155 I156 Y197G155-N159 VanDerWaalsContact O-CB 3.25Å; G155-N159 WeakPolarHBondContact O-CB 3.44Å; G155-N159 PolarHBondContact O-N 3.13Å; G155-N159 PolarHBondContact O-ND2 3.04Å; I156-N159 PolarHBondContact O-N 3.18Å; N159-Y197 HydrophobicContact CB-CE2 4.5Å; N159-Y197 WeakPolarHBondContact ND2-CE2 3.1Å; N159-Y197 PolarHBondContact ND2-OH 2.99Å
160F90.9Very high85.5Confident16 Ų1666.6 Ų66.67%0.0735%0.345CS..  trans-106.329.1-174.2-68-100.1000113.5I156 K162 W163 L190 H193 L194 Y197I156-F160 HydrophobicContact CB-CD2 4.44Å; I156-F160 HydrophobicContact CG2-CD2 4.17Å; I156-F160 WeakPolarHBondContact O-CB 3.42Å; I156-F160 WeakPolarHBondContact O-CD2 3.23Å; I156-F160 PolarHBondContact O-N 3.29Å; F160-K162 PolarHBondContact O-N 2.69Å; F160-K162 VanDerWaalsContact O-N 3.11Å; F160-W163 WeakPolarHBondContact O-CB 3.22Å; F160-W163 PolarHBondContact O-N 3.42Å; F160-L190 HydrophobicContact CD1-CD1 3.42Å; F160-L190 VanDerWaalsContact CD1-CD1 3.42Å; F160-L190 HydrophobicContact CE1-CD1 3.93Å; F160-L190 HydrophobicContact CG-CD1 4.38Å; F160-H193 HydrophobicContact CE1-CB 3.69Å; F160-H193 HydrophobicContact CZ-CB 4.36Å; F160-L194 HydrophobicContact CD1-CD2 3.99Å; F160-L194 HydrophobicContact CD1-CG 4.43Å; F160-L194 HydrophobicContact CD2-CD2 4.29Å; F160-L194 HydrophobicContact CE1-CD2 3.72Å; F160-L194 HydrophobicContact CE1-CG 4Å; F160-L194 HydrophobicContact CE2-CD2 4.06Å; F160-L194 HydrophobicContact CG-CD2 4.25Å; F160-L194 HydrophobicContact CZ-CD2 3.76Å; F160-L194 HydrophobicContact CZ-CG 4.37Å; F160-Y197 AromaticContact CE2-CD1 3.98Å; F160-Y197 HydrophobicContact CE2-CD1 3.98Å; F160-Y197 HydrophobicContact CE2-CD2 4.09Å; F160-Y197 AromaticContact CE2-CG 3.72Å; F160-Y197 HydrophobicContact CE2-CG 3.72Å; F160-Y197 HydrophobicContact CZ-CG 4Å
161T85.9Confident84.8Confident81 Ų8169.5 Ų69.550%0.49735%0.352SS..G310 helixtrans-59.1-26.8-175.8530000114.7K158 W163 N164K158-T161 WeakPolarHBondContact O-CG2 3.49Å; T161-W163 PolarHBondContact O-N 2.92Å; T161-N164 WeakPolarHBondContact CA-OD1 3.41Å; T161-N164 VanDerWaalsContact O-CB 3.31Å; T161-N164 WeakPolarHBondContact O-CB 3.49Å; T161-N164 PolarHBondContact O-N 3.06Å; T161-N164 PolarHBondContact O-ND2 3.4Å
162K88.3Confident83.8Confident169 Ų16972.6 Ų72.674%0.73536%0.358SS*.G310 helixtrans-53.1-26.3171.8-177.5179.7177.1-177.40112.7F160F160-K162 PolarHBondContact O-N 2.69Å; F160-K162 VanDerWaalsContact O-N 3.11Å
163W86Confident83.5Confident10 Ų1076.8 Ų76.84%0.03838%0.376CS..G310 helixtrans-1027.8-175.3-56.693.6000113.5F160 T161 K165 H166 M167 F177 F179 Q186 T189 L190F160-W163 WeakPolarHBondContact O-CB 3.22Å; F160-W163 PolarHBondContact O-N 3.42Å; T161-W163 PolarHBondContact O-N 2.92Å; W163-K165 PolarHBondContact O-N 3.26Å; W163-K165 VanDerWaalsContact O-N 3.12Å; W163-H166 AromaticContact CE3-CD2 3.95Å; W163-H166 WeakPolarHBondContact O-CB 3.48Å; W163-H166 PolarHBondContact O-N 2.94Å; W163-M167 PolarHBondContact O-N 3.15Å; W163-F177 HydrophobicContact CB-CD1 4.1Å; W163-F177 HydrophobicContact CB-CE1 3.97Å; W163-F179 AromaticContact CE3-CE1 3.72Å; W163-F179 HydrophobicContact CE3-CE1 3.72Å; W163-F179 AromaticContact CE3-CZ 3.92Å; W163-F179 HydrophobicContact CE3-CZ 3.92Å; W163-F179 AromaticContact CZ3-CE1 3.73Å; W163-F179 HydrophobicContact CZ3-CE1 3.73Å; W163-F179 HydrophobicContact CZ3-CZ 4.21Å; W163-Q186 VanDerWaalsContact CH2-CA 3.41Å; W163-Q186 HydrophobicContact CH2-CB 3.75Å; W163-Q186 HydrophobicContact CH2-CG 3.63Å; W163-Q186 WeakPolarHBondContact CH2-O 3.4Å; W163-Q186 HydrophobicContact CZ3-CB 3.42Å; W163-Q186 VanDerWaalsContact CZ3-CB 3.42Å; W163-Q186 HydrophobicContact CZ3-CG 3.47Å; W163-Q186 VanDerWaalsContact CZ3-CG 3.47Å; W163-Q186 WeakPolarHBondContact CZ3-O 3.4Å; W163-T189 HydrophobicContact CZ2-CG2 4.14Å; W163-L190 HydrophobicContact CB-CD1 4.46Å; W163-L190 HydrophobicContact CB-CD2 4.24Å; W163-L190 HydrophobicContact CD2-CB 3.91Å; W163-L190 HydrophobicContact CD2-CD1 4.09Å; W163-L190 HydrophobicContact CD2-CD2 4.16Å; W163-L190 HydrophobicContact CD2-CG 4.26Å; W163-L190 HydrophobicContact CE3-CB 4.07Å; W163-L190 HydrophobicContact CE3-CD2 4.31Å; W163-L190 HydrophobicContact CG-CD1 3.81Å; W163-L190 HydrophobicContact CG-CD2 4.11Å; W163-L190 HydrophobicContact CG-CG 4.36Å; W163-L190 HydrophobicContact CH2-CB 4.22Å; W163-L190 HydrophobicContact CZ2-CB 4.01Å; W163-L190 HydrophobicContact CZ3-CB 4.22Å
164N80.3Confident83.6Confident83 Ų8378.4 Ų78.444%0.44438%0.383SS..G310 helixtrans-55.6-33.8-175.3-79-6.8000113.5T161 H166 M167T161-N164 WeakPolarHBondContact CA-OD1 3.41Å; T161-N164 VanDerWaalsContact O-CB 3.31Å; T161-N164 WeakPolarHBondContact O-CB 3.49Å; T161-N164 PolarHBondContact O-N 3.06Å; T161-N164 PolarHBondContact O-ND2 3.4Å; N164-H166 PolarHBondContact O-N 3.15Å; N164-H166 VanDerWaalsContact O-N 3.13Å; N164-M167 PolarHBondContact O-N 2.94Å; N164-M167 VanDerWaalsContact O-N 3.13Å
165K82Confident83.8Confident147 Ų14774.3 Ų74.364%0.63937%0.365SS*.G310 helixtrans-62.4-18.5177.172.9-179.8-172.2-179.40114.1W163 Q186W163-K165 PolarHBondContact O-N 3.26Å; W163-K165 VanDerWaalsContact O-N 3.12Å; K165-Q186 VanDerWaalsContact CE-OE1 3.32Å
166H84.9Confident83.8Confident16 Ų1674 Ų747%0.07436%0.361CS..G310 helixtrans-100-15.5178.3-66.2-69.1000112.9W163 N164 M168 F177 T178 F179 D183 Q186W163-H166 AromaticContact CE3-CD2 3.95Å; W163-H166 WeakPolarHBondContact O-CB 3.48Å; W163-H166 PolarHBondContact O-N 2.94Å; N164-H166 PolarHBondContact O-N 3.15Å; N164-H166 VanDerWaalsContact O-N 3.13Å; H166-M168 PolarHBondContact O-N 3.09Å; H166-F177 HydrophobicContact CB-CB 4.35Å; H166-F177 CarbonylContact O-C 3.47Å; H166-F177 VanDerWaalsContact O-CA 3.29Å; H166-F177 WeakPolarHBondContact O-CA 3.35Å; H166-T178 WeakPolarHBondContact CB-O 3.37Å; H166-T178 PolarHBondContact ND1-O 3.22Å; H166-T178 PolarHBondContact O-N 2.82Å; H166-F179 HydrophobicContact CB-CD1 4.49Å; H166-F179 HydrophobicContact CB-CE1 4.07Å; H166-F179 HydrophobicContact CB-CZ 4.16Å; H166-F179 AromaticContact CD2-CD1 3.94Å; H166-F179 AromaticContact CD2-CE1 3.46Å; H166-F179 VanDerWaalsContact CD2-CE1 3.46Å; H166-F179 WeakPolarHBondContact CD2-CE1 3.49Å; H166-F179 AromaticContact CE1-CD1 3.6Å; H166-F179 AromaticContact CE1-CE1 3.93Å; H166-F179 AromaticContact CG-CD1 3.78Å; H166-F179 AromaticContact CG-CE1 3.53Å; H166-F179 AromaticContact ND1-CD1 3.57Å; H166-F179 AromaticContact ND1-CE1 3.83Å; H166-F179 AromaticContact NE2-CD1 3.83Å; H166-F179 AromaticContact NE2-CE1 3.72Å; H166-D183 IonicContact CE1-OD1 3.92Å; H166-D183 IonicContact CE1-OD2 3.42Å; H166-D183 PolarHBondContact CE1-OD2 3.41Å; H166-Q186 PolarHBondContact NE2-OE1 3.42Å
167M82.7Confident83.9Confident45 Ų4574 Ų7422%0.22236%0.361CS..EExtended strand (participates in β ladder)trans-73.5123.5-175.4-165.7-177.9-65.900110W163 N164 T170 V175 S176 F177W163-M167 PolarHBondContact O-N 3.15Å; N164-M167 PolarHBondContact O-N 2.94Å; N164-M167 VanDerWaalsContact O-N 3.13Å; M167-T170 HydrophobicContact CG-CG2 4.31Å; M167-T170 HydrophobicContact SD-CG2 3.77Å; M167-V175 HydrophobicContact CE-CG1 4.3Å; M167-V175 HydrophobicContact CG-CG1 4.12Å; M167-V175 HydrophobicContact SD-CG1 4.19Å; M167-S176 WeakPolarHBondContact CA-O 2.96Å; M167-F177 HydrophobicContact CB-CD1 4.11Å; M167-F177 HydrophobicContact CB-CE1 4.17Å; M167-F177 HydrophobicContact CE-CD1 4.47Å; M167-F177 HydrophobicContact CE-CE1 3.47Å; M167-F177 VanDerWaalsContact CE-CE1 3.47Å; M167-F177 HydrophobicContact CE-CZ 3.7Å; M167-F177 HydrophobicContact CG-CD1 4.46Å; M167-F177 HydrophobicContact CG-CE1 4.27Å
168M75.9Confident84.1Confident131 Ų13173.5 Ų73.565%0.64536%0.357SS*.EExtended strand (participates in β ladder)trans-117.2-24.7-170.3-166.5177.277.600113.6H166 S176H166-M168 PolarHBondContact O-N 3.09Å; M168-S176 PolarHBondContact N-O 2.83Å
169D74Confident84.2Confident33 Ų3367 Ų6718%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-146.4131-173.2-171.27.4000110.7R171 V175 S176D169-R171 VanDerWaalsContact OD1-CG 3.25Å; D169-R171 WeakPolarHBondContact OD1-CG 3.44Å; D169-R171 PolarHBondContact OD1-N 3.34Å; D169-R171 IonicContact OD1-NE 3.69Å; D169-R171 PolarHBondContact OD1-NE 3.31Å; D169-R171 IonicContact OD2-CZ 3.82Å; D169-R171 IonicContact OD2-NE 2.77Å; D169-R171 PolarHBondContact OD2-NE 3.1Å; D169-R171 IonicContact OD2-NH2 3.58Å; D169-R171 PolarHBondContact OD2-NH2 3.24Å; D169-V175 VanDerWaalsContact O-CA 3.32Å; D169-V175 WeakPolarHBondContact O-CA 3.46Å; D169-S176 PolarHBondContact O-N 2.92Å; D169-S176 VanDerWaalsContact O-N 3.07Å
170T68.3Low83.9Confident94 Ų9463.3 Ų63.358%0.57732%0.315SS*.EExtended strand (participates in β ladder)trans-136.457.8177.552.20000109M167 Q174 V175M167-T170 HydrophobicContact CG-CG2 4.31Å; M167-T170 HydrophobicContact SD-CG2 3.77Å; T170-Q174 WeakPolarHBondContact CA-O 3.33Å; T170-V175 HydrophobicContact CG2-CG2 4.39Å
171R74.1Confident83.3Confident157 Ų15766 Ų6659%0.59233%0.333SS*.EExtended strand (participates in β ladder)trans-77165.5172.6-82.7178.7-681622.9110.9D169 F173 Q174D169-R171 VanDerWaalsContact OD1-CG 3.25Å; D169-R171 WeakPolarHBondContact OD1-CG 3.44Å; D169-R171 PolarHBondContact OD1-N 3.34Å; D169-R171 IonicContact OD1-NE 3.69Å; D169-R171 PolarHBondContact OD1-NE 3.31Å; D169-R171 IonicContact OD2-CZ 3.82Å; D169-R171 IonicContact OD2-NE 2.77Å; D169-R171 PolarHBondContact OD2-NE 3.1Å; D169-R171 IonicContact OD2-NH2 3.58Å; D169-R171 PolarHBondContact OD2-NH2 3.24Å; R171-F173 PolarHBondContact O-N 2.88Å; R171-Q174 PolarHBondContact N-O 3.1Å; R171-Q174 PolarHBondContact O-N 3.01Å
172D70.6Confident82.9Confident141 Ų14168 Ų6875%0.75435%0.35SS*.THydrogen-bonded Turntrans-51.5116.8173-64-32000109
173F86.4Confident82.6Confident93 Ų9361.6 Ų61.641%0.40832%0.324SS..THydrogen-bonded Turntrans786.7179.3-45-57.6000118.3T146 T147 K148 R171T146-F173 CarbonylContact C-O 3.56Å; T146-F173 VanDerWaalsContact CA-O 3.29Å; T146-F173 WeakPolarHBondContact CA-O 3.49Å; T147-F173 PolarHBondContact N-O 2.55Å; T147-F173 VanDerWaalsContact O-CA 3.25Å; T147-F173 WeakPolarHBondContact O-CA 3.25Å; T147-F173 WeakPolarHBondContact O-CB 3.36Å; T147-F173 WeakPolarHBondContact O-CD1 3.35Å; K148-F173 HydrophobicContact CB-CD1 4.26Å; K148-F173 HydrophobicContact CB-CE1 4.35Å; K148-F173 HydrophobicContact CG-CD1 4.22Å; K148-F173 HydrophobicContact CG-CE1 4.44Å; K148-F173 HydrophobicContact CG-CG 4.39Å; R171-F173 PolarHBondContact O-N 2.88Å
174Q90.6Very high82.4Confident46 Ų4666.6 Ų66.622%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-141.5137-177.1-166.7178.413.100113.8T144 I145 T170 R171T144-Q174 HydrophobicContact CG2-CG 3.91Å; I145-Q174 CarbonylContact O-C 3.55Å; I145-Q174 VanDerWaalsContact O-CA 3.27Å; I145-Q174 WeakPolarHBondContact O-CA 3.45Å; T170-Q174 WeakPolarHBondContact CA-O 3.33Å; R171-Q174 PolarHBondContact N-O 3.1Å; R171-Q174 PolarHBondContact O-N 3.01Å
175V91.7Very high82.7Confident4 Ų469.8 Ų69.82%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-127.7128.8169179.20000109.8I145 L153 M167 D169 T170 F177I145-V175 PolarHBondContact N-O 3.36Å; I145-V175 PolarHBondContact O-N 2.95Å; L153-V175 HydrophobicContact CD2-CG2 3.79Å; M167-V175 HydrophobicContact CE-CG1 4.3Å; M167-V175 HydrophobicContact CG-CG1 4.12Å; M167-V175 HydrophobicContact SD-CG1 4.19Å; D169-V175 VanDerWaalsContact O-CA 3.32Å; D169-V175 WeakPolarHBondContact O-CA 3.46Å; T170-V175 HydrophobicContact CG2-CG2 4.39Å; V175-F177 HydrophobicContact CG1-CD2 4.38Å; V175-F177 HydrophobicContact CG1-CE2 3.69Å; V175-F177 HydrophobicContact CG1-CZ 3.91Å
176S91.9Very high83Confident1 Ų165.7 Ų65.71%0.00734%0.338CS..EExtended strand (participates in β ladder)trans-122.4139.2178.5-59.30000113.1Q142 L143 T144 M167 M168 D169Q142-S176 PolarHBondContact NE2-OG 3.02Å; L143-S176 CarbonylContact O-C 3.54Å; L143-S176 VanDerWaalsContact O-CA 3.31Å; L143-S176 WeakPolarHBondContact O-CA 3.24Å; T144-S176 PolarHBondContact OG1-OG 3.13Å; M167-S176 WeakPolarHBondContact CA-O 2.96Å; M168-S176 PolarHBondContact N-O 2.83Å; D169-S176 PolarHBondContact O-N 2.92Å; D169-S176 VanDerWaalsContact O-N 3.07Å
177F93Very high83.2Confident0 Ų065 Ų650%034%0.335CS..EExtended strand (participates in β ladder)trans-119.4125.6174.4-55.9-96.2000110.4Q142 L143 I145 I156 W163 H166 M167 V175 F179 L190 L194Q142-F177 CarbonylContact C-O 3.55Å; Q142-F177 VanDerWaalsContact CA-O 3.31Å; Q142-F177 WeakPolarHBondContact CA-O 3.48Å; L143-F177 HydrophobicContact CB-CB 4.39Å; L143-F177 PolarHBondContact N-O 2.85Å; L143-F177 PolarHBondContact O-N 3.41Å; I145-F177 HydrophobicContact CD1-CE2 4.37Å; I156-F177 HydrophobicContact CG2-CE2 4.48Å; I156-F177 HydrophobicContact CG2-CZ 4.23Å; W163-F177 HydrophobicContact CB-CD1 4.1Å; W163-F177 HydrophobicContact CB-CE1 3.97Å; H166-F177 HydrophobicContact CB-CB 4.35Å; H166-F177 CarbonylContact O-C 3.47Å; H166-F177 VanDerWaalsContact O-CA 3.29Å; H166-F177 WeakPolarHBondContact O-CA 3.35Å; M167-F177 HydrophobicContact CB-CD1 4.11Å; M167-F177 HydrophobicContact CB-CE1 4.17Å; M167-F177 HydrophobicContact CE-CD1 4.47Å; M167-F177 HydrophobicContact CE-CE1 3.47Å; M167-F177 VanDerWaalsContact CE-CE1 3.47Å; M167-F177 HydrophobicContact CE-CZ 3.7Å; M167-F177 HydrophobicContact CG-CD1 4.46Å; M167-F177 HydrophobicContact CG-CE1 4.27Å; V175-F177 HydrophobicContact CG1-CD2 4.38Å; V175-F177 HydrophobicContact CG1-CE2 3.69Å; V175-F177 HydrophobicContact CG1-CZ 3.91Å; F177-F179 HydrophobicContact CB-CE2 3.62Å; F177-F179 HydrophobicContact CB-CZ 4.06Å; F177-L190 HydrophobicContact CB-CD2 3.85Å; F177-L190 HydrophobicContact CD1-CD2 3.65Å; F177-L190 HydrophobicContact CD2-CD2 3.81Å; F177-L190 HydrophobicContact CE1-CD2 4.07Å; F177-L190 HydrophobicContact CE2-CD2 4.23Å; F177-L190 HydrophobicContact CG-CD2 3.5Å; F177-L190 HydrophobicContact CZ-CD2 4.34Å; F177-L194 HydrophobicContact CE2-CD1 4.32Å
178T90.6Very high83.5Confident36 Ų3664.5 Ų64.522%0.22133%0.334CS..EExtended strand (participates in β ladder)trans-112.1128.9-177.1-55.60000111.3I140 H166I140-T178 HydrophobicContact CG2-CG2 3.71Å; H166-T178 WeakPolarHBondContact CB-O 3.37Å; H166-T178 PolarHBondContact ND1-O 3.22Å; H166-T178 PolarHBondContact O-N 2.82Å
179F89.4Confident84.3Confident1 Ų161 Ų610%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-119.9134.8-174.7-64-83.9000110.7I140 T141 L143 W163 H166 F177 D183 Q186 E187 L190I140-F179 WeakPolarHBondContact CA-O 3.48Å; T141-F179 PolarHBondContact N-O 2.77Å; T141-F179 PolarHBondContact O-N 3.44Å; L143-F179 HydrophobicContact CD1-CE2 3.93Å; L143-F179 HydrophobicContact CG-CE2 4.3Å; W163-F179 AromaticContact CE3-CE1 3.72Å; W163-F179 HydrophobicContact CE3-CE1 3.72Å; W163-F179 AromaticContact CE3-CZ 3.92Å; W163-F179 HydrophobicContact CE3-CZ 3.92Å; W163-F179 AromaticContact CZ3-CE1 3.73Å; W163-F179 HydrophobicContact CZ3-CE1 3.73Å; W163-F179 HydrophobicContact CZ3-CZ 4.21Å; H166-F179 HydrophobicContact CB-CD1 4.49Å; H166-F179 HydrophobicContact CB-CE1 4.07Å; H166-F179 HydrophobicContact CB-CZ 4.16Å; H166-F179 AromaticContact CD2-CD1 3.94Å; H166-F179 AromaticContact CD2-CE1 3.46Å; H166-F179 VanDerWaalsContact CD2-CE1 3.46Å; H166-F179 WeakPolarHBondContact CD2-CE1 3.49Å; H166-F179 AromaticContact CE1-CD1 3.6Å; H166-F179 AromaticContact CE1-CE1 3.93Å; H166-F179 AromaticContact CG-CD1 3.78Å; H166-F179 AromaticContact CG-CE1 3.53Å; H166-F179 AromaticContact ND1-CD1 3.57Å; H166-F179 AromaticContact ND1-CE1 3.83Å; H166-F179 AromaticContact NE2-CD1 3.83Å; H166-F179 AromaticContact NE2-CE1 3.72Å; F177-F179 HydrophobicContact CB-CE2 3.62Å; F177-F179 HydrophobicContact CB-CZ 4.06Å; F179-D183 HydrophobicContact CB-CB 4.13Å; F179-D183 HydrophobicContact CD1-CB 3.77Å; F179-D183 HydrophobicContact CG-CB 4.45Å; F179-Q186 HydrophobicContact CD1-CB 4.49Å; F179-Q186 HydrophobicContact CE1-CB 4.35Å; F179-E187 HydrophobicContact CB-CB 4.26Å; F179-E187 HydrophobicContact CD1-CB 4.06Å; F179-E187 HydrophobicContact CD2-CB 3.79Å; F179-E187 HydrophobicContact CD2-CG 3.81Å; F179-E187 HydrophobicContact CE1-CB 4.36Å; F179-E187 HydrophobicContact CE2-CB 4.12Å; F179-E187 HydrophobicContact CE2-CG 4.13Å; F179-E187 HydrophobicContact CG-CB 3.75Å; F179-E187 HydrophobicContact CG-CG 4.24Å; F179-E187 HydrophobicContact CZ-CB 4.39Å; F179-L190 HydrophobicContact CE2-CD2 3.99Å; F179-L190 HydrophobicContact CZ-CB 4.25Å; F179-L190 HydrophobicContact CZ-CD2 3.54Å; F179-L190 HydrophobicContact CZ-CG 4.5Å
180G84.6Confident85.2Confident26 Ų2659.5 Ų59.527%0.26831%0.312SS..  trans-81.9179.6170.700000112.5I139 C182 D183I139-G180 CarbonylContact O-C 3.54Å; G180-C182 VanDerWaalsContact C-N 3.29Å; G180-C182 PolarHBondContact O-N 2.92Å; G180-D183 PolarHBondContact N-OD2 3.03Å; G180-D183 PolarHBondContact O-N 3.23Å; G180-D183 VanDerWaalsContact O-N 3.13Å
181P77.6Confident86.4Confident71 Ų7157.7 Ų57.746%0.46130%0.295SS..G310 helixtrans-58.9-36.2-176.3-22.830.9000114V138 I139 D183V138-P181 HydrophobicContact CG1-CG 3.83Å; I139-P181 WeakPolarHBondContact O-CD 3.45Å; I139-P181 WeakPolarHBondContact O-CG 3.43Å; P181-D183 VanDerWaalsContact C-N 3.28Å; P181-D183 PolarHBondContact O-N 3.24Å
182C78.5Confident87.4Confident124 Ų12454.1 Ų54.184%0.83829%0.291SS*.G310 helixtrans-79.3-8.8-177.3-59.80000113.6G180G180-C182 VanDerWaalsContact C-N 3.29Å; G180-C182 PolarHBondContact O-N 2.92Å
183D82.6Confident88.6Confident35 Ų3552 Ų5219%0.18728%0.276CS..G310 helixtrans-100.619-174.7-58.7-60.4000112.9H166 F179 G180 P181 H185 Q186 E187H166-D183 IonicContact CE1-OD1 3.92Å; H166-D183 IonicContact CE1-OD2 3.42Å; H166-D183 PolarHBondContact CE1-OD2 3.41Å; F179-D183 HydrophobicContact CB-CB 4.13Å; F179-D183 HydrophobicContact CD1-CB 3.77Å; F179-D183 HydrophobicContact CG-CB 4.45Å; G180-D183 PolarHBondContact N-OD2 3.03Å; G180-D183 PolarHBondContact O-N 3.23Å; G180-D183 VanDerWaalsContact O-N 3.13Å; P181-D183 VanDerWaalsContact C-N 3.28Å; P181-D183 PolarHBondContact O-N 3.24Å; D183-H185 PolarHBondContact O-N 3.26Å; D183-Q186 HydrophobicContact CB-CB 3.99Å; D183-Q186 CarbonylContact O-C 3.52Å; D183-Q186 WeakPolarHBondContact O-CA 3.5Å; D183-Q186 WeakPolarHBondContact O-CB 3.42Å; D183-Q186 PolarHBondContact O-N 2.97Å; D183-Q186 PolarHBondContact OD1-NE2 3.32Å; D183-E187 PolarHBondContact O-N 3.19Å
184Y81.1Confident89Confident115 Ų11547.6 Ų47.645%0.45126%0.257SS..Hα-helixtrans-52.3-52.3-178174.8-90.3000113.5Q186 E187 V188Y184-Q186 PolarHBondContact O-N 2.94Å; Y184-E187 PolarHBondContact O-N 3.34Å; Y184-V188 HydrophobicContact CD1-CG2 4.33Å; Y184-V188 HydrophobicContact CE1-CG2 3.8Å; Y184-V188 HydrophobicContact CE2-CG2 4.26Å; Y184-V188 WeakPolarHBondContact O-CG2 3.31Å; Y184-V188 PolarHBondContact O-N 3.44Å
185H86.9Confident89.2Confident150 Ų15046.6 Ų46.669%0.69425%0.252SS*.Hα-helixtrans-62-32.8178.6-73-74.3000111.9D183 T189D183-H185 PolarHBondContact O-N 3.26Å; H185-T189 WeakPolarHBondContact O-CB 3.35Å; H185-T189 PolarHBondContact O-N 3.32Å; H185-T189 PolarHBondContact O-OG1 2.87Å
186Q88.6Confident89.4Confident61 Ų6149.9 Ų49.929%0.28527%0.27SS..Hα-helixtrans-66.3-51.4179.5-106.3-176.898.500109.2W163 K165 H166 F179 D183 Y184 V188 T189 L190W163-Q186 VanDerWaalsContact CH2-CA 3.41Å; W163-Q186 HydrophobicContact CH2-CB 3.75Å; W163-Q186 HydrophobicContact CH2-CG 3.63Å; W163-Q186 WeakPolarHBondContact CH2-O 3.4Å; W163-Q186 HydrophobicContact CZ3-CB 3.42Å; W163-Q186 VanDerWaalsContact CZ3-CB 3.42Å; W163-Q186 HydrophobicContact CZ3-CG 3.47Å; W163-Q186 VanDerWaalsContact CZ3-CG 3.47Å; W163-Q186 WeakPolarHBondContact CZ3-O 3.4Å; K165-Q186 VanDerWaalsContact CE-OE1 3.32Å; H166-Q186 PolarHBondContact NE2-OE1 3.42Å; F179-Q186 HydrophobicContact CD1-CB 4.49Å; F179-Q186 HydrophobicContact CE1-CB 4.35Å; D183-Q186 HydrophobicContact CB-CB 3.99Å; D183-Q186 CarbonylContact O-C 3.52Å; D183-Q186 WeakPolarHBondContact O-CA 3.5Å; D183-Q186 WeakPolarHBondContact O-CB 3.42Å; D183-Q186 PolarHBondContact O-N 2.97Å; D183-Q186 PolarHBondContact OD1-NE2 3.32Å; Y184-Q186 PolarHBondContact O-N 2.94Å; Q186-V188 PolarHBondContact O-N 3.19Å; Q186-T189 PolarHBondContact O-N 3.27Å; Q186-L190 PolarHBondContact O-N 2.97Å
187E89.1Confident89.6Confident0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-54.1-52.8173.1-178.9-88.1129.400112.7R127 T141 L143 F179 D183 Y184 T189 L190 R191R127-E187 IonicContact CZ-OE2 3.02Å; R127-E187 IonicContact NH2-OE2 3.62Å; R127-E187 PolarHBondContact NH2-OE2 2.76Å; T141-E187 HydrophobicContact CG2-CG 3.65Å; L143-E187 HydrophobicContact CD1-CG 3.92Å; L143-E187 HydrophobicContact CG-CG 4.06Å; F179-E187 HydrophobicContact CB-CB 4.26Å; F179-E187 HydrophobicContact CD1-CB 4.06Å; F179-E187 HydrophobicContact CD2-CB 3.79Å; F179-E187 HydrophobicContact CD2-CG 3.81Å; F179-E187 HydrophobicContact CE1-CB 4.36Å; F179-E187 HydrophobicContact CE2-CB 4.12Å; F179-E187 HydrophobicContact CE2-CG 4.13Å; F179-E187 HydrophobicContact CG-CB 3.75Å; F179-E187 HydrophobicContact CG-CG 4.24Å; F179-E187 HydrophobicContact CZ-CB 4.39Å; D183-E187 PolarHBondContact O-N 3.19Å; Y184-E187 PolarHBondContact O-N 3.34Å; E187-T189 VanDerWaalsContact C-N 3.28Å; E187-T189 PolarHBondContact O-N 2.84Å; E187-L190 PolarHBondContact O-N 2.85Å; E187-L190 VanDerWaalsContact O-N 3.14Å; E187-R191 WeakPolarHBondContact O-CB 3.5Å; E187-R191 PolarHBondContact O-N 3.38Å
188V88.8Confident89.8Confident35 Ų3551.5 Ų51.521%0.21228%0.276CS..Hα-helixtrans-59.4-41.5-178.1173.80000111.2Y184 Q186 R191 V192Y184-V188 HydrophobicContact CD1-CG2 4.33Å; Y184-V188 HydrophobicContact CE1-CG2 3.8Å; Y184-V188 HydrophobicContact CE2-CG2 4.26Å; Y184-V188 WeakPolarHBondContact O-CG2 3.31Å; Y184-V188 PolarHBondContact O-N 3.44Å; Q186-V188 PolarHBondContact O-N 3.19Å; V188-R191 PolarHBondContact O-N 3.1Å; V188-V192 WeakPolarHBondContact O-CG2 3.31Å; V188-V192 PolarHBondContact O-N 3.32Å; V188-V192 VanDerWaalsContact O-N 3.1Å
189T92.6Very high90Very high59 Ų5954.2 Ų54.236%0.36229%0.287SS..Hα-helixtrans-63.7-46.8177-56.90000111.1W163 H185 Q186 E187 R191 V192 H193W163-T189 HydrophobicContact CZ2-CG2 4.14Å; H185-T189 WeakPolarHBondContact O-CB 3.35Å; H185-T189 PolarHBondContact O-N 3.32Å; H185-T189 PolarHBondContact O-OG1 2.87Å; Q186-T189 PolarHBondContact O-N 3.27Å; E187-T189 VanDerWaalsContact C-N 3.28Å; E187-T189 PolarHBondContact O-N 2.84Å; T189-R191 VanDerWaalsContact C-N 3.35Å; T189-R191 PolarHBondContact O-N 3.43Å; T189-V192 PolarHBondContact O-N 2.97Å; T189-H193 PolarHBondContact O-N 3.43Å; T189-H193 VanDerWaalsContact O-N 3.07Å
190L93.1Very high90.2Very high0 Ų061.2 Ų61.20%032%0.318CS..Hα-helixtrans-59.9-47.3177.5175.858.8000110.8L143 F160 W163 F177 F179 Q186 E187 V192 H193 L194L143-L190 HydrophobicContact CD1-CB 4.22Å; L143-L190 HydrophobicContact CD1-CD2 4.07Å; L143-L190 HydrophobicContact CD1-CG 4.07Å; F160-L190 HydrophobicContact CD1-CD1 3.42Å; F160-L190 VanDerWaalsContact CD1-CD1 3.42Å; F160-L190 HydrophobicContact CE1-CD1 3.93Å; F160-L190 HydrophobicContact CG-CD1 4.38Å; W163-L190 HydrophobicContact CB-CD1 4.46Å; W163-L190 HydrophobicContact CB-CD2 4.24Å; W163-L190 HydrophobicContact CD2-CB 3.91Å; W163-L190 HydrophobicContact CD2-CD1 4.09Å; W163-L190 HydrophobicContact CD2-CD2 4.16Å; W163-L190 HydrophobicContact CD2-CG 4.26Å; W163-L190 HydrophobicContact CE3-CB 4.07Å; W163-L190 HydrophobicContact CE3-CD2 4.31Å; W163-L190 HydrophobicContact CG-CD1 3.81Å; W163-L190 HydrophobicContact CG-CD2 4.11Å; W163-L190 HydrophobicContact CG-CG 4.36Å; W163-L190 HydrophobicContact CH2-CB 4.22Å; W163-L190 HydrophobicContact CZ2-CB 4.01Å; W163-L190 HydrophobicContact CZ3-CB 4.22Å; F177-L190 HydrophobicContact CB-CD2 3.85Å; F177-L190 HydrophobicContact CD1-CD2 3.65Å; F177-L190 HydrophobicContact CD2-CD2 3.81Å; F177-L190 HydrophobicContact CE1-CD2 4.07Å; F177-L190 HydrophobicContact CE2-CD2 4.23Å; F177-L190 HydrophobicContact CG-CD2 3.5Å; F177-L190 HydrophobicContact CZ-CD2 4.34Å; F179-L190 HydrophobicContact CE2-CD2 3.99Å; F179-L190 HydrophobicContact CZ-CB 4.25Å; F179-L190 HydrophobicContact CZ-CD2 3.54Å; F179-L190 HydrophobicContact CZ-CG 4.5Å; Q186-L190 PolarHBondContact O-N 2.97Å; E187-L190 PolarHBondContact O-N 2.85Å; E187-L190 VanDerWaalsContact O-N 3.14Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 2.74Å; L190-H193 PolarHBondContact O-N 3.12Å; L190-L194 HydrophobicContact CD1-CD1 3.87Å; L190-L194 HydrophobicContact CD1-CD2 4.26Å; L190-L194 HydrophobicContact CD1-CG 3.72Å; L190-L194 HydrophobicContact CD2-CD1 4.22Å; L190-L194 HydrophobicContact CG-CD1 3.69Å; L190-L194 HydrophobicContact CG-CG 4.06Å; L190-L194 WeakPolarHBondContact O-CB 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 3.09Å
191R93.7Very high90.7Very high57 Ų5763.7 Ų63.722%0.21532%0.322CS..Hα-helixtrans-54.9-49.9179-173.3-178.666168.72.3111.4L143 E187 V188 T189 H193 L194 M195L143-R191 HydrophobicContact CD1-CB 3.93Å; L143-R191 HydrophobicContact CD2-CB 4.15Å; L143-R191 HydrophobicContact CD2-CG 4.1Å; E187-R191 WeakPolarHBondContact O-CB 3.5Å; E187-R191 PolarHBondContact O-N 3.38Å; V188-R191 PolarHBondContact O-N 3.1Å; T189-R191 VanDerWaalsContact C-N 3.35Å; T189-R191 PolarHBondContact O-N 3.43Å; R191-H193 PolarHBondContact O-N 3.41Å; R191-L194 PolarHBondContact O-N 2.88Å; R191-M195 HydrophobicContact CG-CE 4.29Å; R191-M195 VanDerWaalsContact O-CG 3.27Å; R191-M195 WeakPolarHBondContact O-CG 3.42Å; R191-M195 PolarHBondContact O-N 2.92Å
192V93.7Very high91.4Very high82 Ų8262.6 Ų62.650%0.49732%0.324SS..Hα-helixtrans-61.2-44.7179.51730000111.3V188 T189 L190 L194 M195 D196V188-V192 WeakPolarHBondContact O-CG2 3.31Å; V188-V192 PolarHBondContact O-N 3.32Å; V188-V192 VanDerWaalsContact O-N 3.1Å; T189-V192 PolarHBondContact O-N 2.97Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 2.74Å; V192-L194 PolarHBondContact O-N 3.12Å; V192-M195 PolarHBondContact O-N 3.38Å; V192-D196 WeakPolarHBondContact O-CB 3.38Å; V192-D196 PolarHBondContact O-N 3.27Å
193H95.3Very high92.2Very high96 Ų9656.9 Ų56.944%0.44429%0.285SS..Hα-helixtrans-66.8-35.9178.1-69.8-178.9000112.9F160 T189 L190 R191 Y197F160-H193 HydrophobicContact CE1-CB 3.69Å; F160-H193 HydrophobicContact CZ-CB 4.36Å; T189-H193 PolarHBondContact O-N 3.43Å; T189-H193 VanDerWaalsContact O-N 3.07Å; L190-H193 PolarHBondContact O-N 3.12Å; R191-H193 PolarHBondContact O-N 3.41Å; H193-Y197 VanDerWaalsContact O-CB 3.27Å; H193-Y197 WeakPolarHBondContact O-CB 3.37Å; H193-Y197 PolarHBondContact O-N 3.08Å
194L95.1Very high92.7Very high0 Ų059.1 Ų59.10%030%0.3CS..Hα-helixtrans-64.4-46174.4-75.3171.8000111.1L123 I145 I156 F160 F177 L190 R191 V192 D196 Y197 I198L123-L194 HydrophobicContact CD2-CB 3.98Å; L123-L194 HydrophobicContact CD2-CD1 4.45Å; I145-L194 HydrophobicContact CD1-CD1 3.81Å; I145-L194 HydrophobicContact CD1-CD2 3.53Å; I145-L194 HydrophobicContact CD1-CG 4.19Å; I145-L194 HydrophobicContact CG1-CD1 4.41Å; I156-L194 HydrophobicContact CG1-CD2 4.46Å; I156-L194 HydrophobicContact CG2-CD2 4.04Å; F160-L194 HydrophobicContact CD1-CD2 3.99Å; F160-L194 HydrophobicContact CD1-CG 4.43Å; F160-L194 HydrophobicContact CD2-CD2 4.29Å; F160-L194 HydrophobicContact CE1-CD2 3.72Å; F160-L194 HydrophobicContact CE1-CG 4Å; F160-L194 HydrophobicContact CE2-CD2 4.06Å; F160-L194 HydrophobicContact CG-CD2 4.25Å; F160-L194 HydrophobicContact CZ-CD2 3.76Å; F160-L194 HydrophobicContact CZ-CG 4.37Å; F177-L194 HydrophobicContact CE2-CD1 4.32Å; L190-L194 HydrophobicContact CD1-CD1 3.87Å; L190-L194 HydrophobicContact CD1-CD2 4.26Å; L190-L194 HydrophobicContact CD1-CG 3.72Å; L190-L194 HydrophobicContact CD2-CD1 4.22Å; L190-L194 HydrophobicContact CG-CD1 3.69Å; L190-L194 HydrophobicContact CG-CG 4.06Å; L190-L194 WeakPolarHBondContact O-CB 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 3.09Å; R191-L194 PolarHBondContact O-N 2.88Å; V192-L194 PolarHBondContact O-N 3.12Å; L194-D196 PolarHBondContact O-N 3.24Å; L194-Y197 PolarHBondContact O-N 3.16Å; L194-I198 WeakPolarHBondContact O-CB 3.37Å; L194-I198 WeakPolarHBondContact O-CD1 3.38Å; L194-I198 VanDerWaalsContact O-CG1 3.24Å; L194-I198 WeakPolarHBondContact O-CG1 3.25Å; L194-I198 PolarHBondContact O-N 2.8Å
195M95.5Very high93.1Very high25 Ų2557.7 Ų57.712%0.12330%0.3CS..Hα-helixtrans-57.5-50.8175.5-65.3-51.1-178.400111L123 R191 V192 Y197 I198 M199 W226 F228L123-M195 HydrophobicContact CB-CE 4.11Å; L123-M195 HydrophobicContact CD2-CE 3.3Å; L123-M195 HydrophobicContact CD2-CG 4.36Å; L123-M195 HydrophobicContact CD2-SD 3.43Å; L123-M195 WeakPolarHBondContact CD2-SD 3.32Å; L123-M195 HydrophobicContact CG-CE 3.61Å; L123-M195 HydrophobicContact CG-SD 4.28Å; R191-M195 HydrophobicContact CG-CE 4.29Å; R191-M195 VanDerWaalsContact O-CG 3.27Å; R191-M195 WeakPolarHBondContact O-CG 3.42Å; R191-M195 PolarHBondContact O-N 2.92Å; V192-M195 PolarHBondContact O-N 3.38Å; M195-Y197 VanDerWaalsContact C-N 3.33Å; M195-Y197 PolarHBondContact O-N 3.37Å; M195-I198 PolarHBondContact O-N 2.79Å; M195-M199 WeakPolarHBondContact O-CB 3.35Å; M195-M199 VanDerWaalsContact O-CG 3.23Å; M195-M199 WeakPolarHBondContact O-CG 3.42Å; M195-M199 PolarHBondContact O-N 3.1Å; M195-W226 HydrophobicContact CE-CB 3.78Å; M195-W226 HydrophobicContact CE-CD2 3.21Å; M195-W226 HydrophobicContact CE-CE3 3.29Å; M195-W226 HydrophobicContact CE-CG 3.42Å; M195-W226 VanDerWaalsContact CE-CG 3.42Å; M195-W226 HydrophobicContact CE-CH2 4.5Å; M195-W226 HydrophobicContact CE-CZ2 4.44Å; M195-W226 HydrophobicContact CE-CZ3 3.97Å; M195-F228 HydrophobicContact CE-CE2 4.16Å; M195-F228 HydrophobicContact CE-CZ 4.28Å; M195-F228 HydrophobicContact CG-CZ 4.41Å; M195-F228 HydrophobicContact SD-CE1 4.27Å; M195-F228 HydrophobicContact SD-CE2 3.38Å; M195-F228 WeakPolarHBondContact SD-CE2 3.35Å; M195-F228 HydrophobicContact SD-CZ 3.12Å; M195-F228 WeakPolarHBondContact SD-CZ 3.31Å
196D95.9Very high93.3Very high74 Ų7456.7 Ų56.740%0.39629%0.29SS..Hα-helixtrans-59.5-43.1178.4176.264.8000111.9V192 L194 M199 K200V192-D196 WeakPolarHBondContact O-CB 3.38Å; V192-D196 PolarHBondContact O-N 3.27Å; L194-D196 PolarHBondContact O-N 3.24Å; D196-M199 PolarHBondContact O-N 3.32Å; D196-K200 WeakPolarHBondContact O-CB 3.4Å; D196-K200 WeakPolarHBondContact O-CG 3.31Å; D196-K200 PolarHBondContact O-N 3.22Å; D196-K200 WeakPolarHBondContact OD1-CE 3.39Å; D196-K200 IonicContact OD1-NZ 3.6Å; D196-K200 WeakPolarHBondContact OD2-CE 3.33Å; D196-K200 IonicContact OD2-NZ 2.67Å; D196-K200 PolarHBondContact OD2-NZ 2.99Å
197Y96.3Very high93Very high35 Ų3556 Ų5614%0.13729%0.288CS..Hα-helixtrans-63.5-47.7177.3-179-98.3000112.3L152 G155 I156 N159 F160 H193 L194 M195 M199 K200 Q201L152-Y197 HydrophobicContact CD1-CD1 4.16Å; L152-Y197 HydrophobicContact CD1-CE1 3.69Å; G155-Y197 VanDerWaalsContact CA-OH 3.31Å; G155-Y197 WeakPolarHBondContact CA-OH 3.35Å; I156-Y197 HydrophobicContact CG1-CD1 4.01Å; I156-Y197 HydrophobicContact CG1-CE1 3.86Å; N159-Y197 HydrophobicContact CB-CE2 4.5Å; N159-Y197 WeakPolarHBondContact ND2-CE2 3.1Å; N159-Y197 PolarHBondContact ND2-OH 2.99Å; F160-Y197 AromaticContact CE2-CD1 3.98Å; F160-Y197 HydrophobicContact CE2-CD1 3.98Å; F160-Y197 HydrophobicContact CE2-CD2 4.09Å; F160-Y197 AromaticContact CE2-CG 3.72Å; F160-Y197 HydrophobicContact CE2-CG 3.72Å; F160-Y197 HydrophobicContact CZ-CG 4Å; H193-Y197 VanDerWaalsContact O-CB 3.27Å; H193-Y197 WeakPolarHBondContact O-CB 3.37Å; H193-Y197 PolarHBondContact O-N 3.08Å; L194-Y197 PolarHBondContact O-N 3.16Å; M195-Y197 VanDerWaalsContact C-N 3.33Å; M195-Y197 PolarHBondContact O-N 3.37Å; Y197-M199 VanDerWaalsContact C-N 3.28Å; Y197-M199 PolarHBondContact O-N 3.16Å; Y197-K200 PolarHBondContact O-N 2.74Å; Y197-Q201 HydrophobicContact CE1-CG 4.24Å; Y197-Q201 WeakPolarHBondContact O-CG 3.34Å; Y197-Q201 PolarHBondContact O-N 3.13Å
198I96.2Very high93Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-57.8-44.7176.5-68.7163.3000109.9V121 L123 L194 M195 K200 Q201 F203 F228V121-I198 HydrophobicContact CB-CG2 4.48Å; V121-I198 HydrophobicContact CG1-CD1 3.92Å; V121-I198 HydrophobicContact CG1-CG1 4.37Å; V121-I198 HydrophobicContact CG1-CG2 4.42Å; L123-I198 HydrophobicContact CD2-CD1 4.27Å; L194-I198 WeakPolarHBondContact O-CB 3.37Å; L194-I198 WeakPolarHBondContact O-CD1 3.38Å; L194-I198 VanDerWaalsContact O-CG1 3.24Å; L194-I198 WeakPolarHBondContact O-CG1 3.25Å; L194-I198 PolarHBondContact O-N 2.8Å; M195-I198 PolarHBondContact O-N 2.79Å; I198-K200 PolarHBondContact O-N 3.41Å; I198-Q201 WeakPolarHBondContact O-CB 3.38Å; I198-Q201 PolarHBondContact O-N 2.91Å; I198-Q201 VanDerWaalsContact O-N 3.12Å; I198-F203 HydrophobicContact CG2-CB 3.67Å; I198-F203 HydrophobicContact CG2-CD2 4.18Å; I198-F203 HydrophobicContact CG2-CG 3.99Å; I198-F203 WeakPolarHBondContact O-CB 3.42Å; I198-F203 PolarHBondContact O-N 2.93Å; I198-F228 HydrophobicContact CG2-CB 3.94Å; I198-F228 HydrophobicContact CG2-CD1 3.62Å; I198-F228 HydrophobicContact CG2-CD2 4.21Å; I198-F228 HydrophobicContact CG2-CE1 4.2Å; I198-F228 HydrophobicContact CG2-CG 3.65Å
199M94.6Very high92.9Very high93 Ų9365.3 Ų65.346%0.45833%0.328SS..Hα-helixtrans-65.1-38.6178.7-69.3173.267.300112.8M195 D196 Y197 Q201 G202 F203 I205 F228M195-M199 WeakPolarHBondContact O-CB 3.35Å; M195-M199 VanDerWaalsContact O-CG 3.23Å; M195-M199 WeakPolarHBondContact O-CG 3.42Å; M195-M199 PolarHBondContact O-N 3.1Å; D196-M199 PolarHBondContact O-N 3.32Å; Y197-M199 VanDerWaalsContact C-N 3.28Å; Y197-M199 PolarHBondContact O-N 3.16Å; M199-Q201 PolarHBondContact O-N 3.25Å; M199-G202 PolarHBondContact O-N 3.31Å; M199-F203 WeakPolarHBondContact CA-O 3.45Å; M199-I205 HydrophobicContact SD-CD1 4.42Å; M199-F228 HydrophobicContact CG-CD1 4.4Å; M199-F228 HydrophobicContact CG-CE1 3.89Å; M199-F228 HydrophobicContact SD-CE1 4.41Å
200K95.3Very high92.6Very high147 Ų14766.4 Ų66.464%0.63934%0.335SS*.Hα-helixtrans-63.8-22.4173.5-78.4170.9176.6165.90113.6D196 Y197 I198 G202D196-K200 WeakPolarHBondContact O-CB 3.4Å; D196-K200 WeakPolarHBondContact O-CG 3.31Å; D196-K200 PolarHBondContact O-N 3.22Å; D196-K200 WeakPolarHBondContact OD1-CE 3.39Å; D196-K200 IonicContact OD1-NZ 3.6Å; D196-K200 WeakPolarHBondContact OD2-CE 3.33Å; D196-K200 IonicContact OD2-NZ 2.67Å; D196-K200 PolarHBondContact OD2-NZ 2.99Å; Y197-K200 PolarHBondContact O-N 2.74Å; I198-K200 PolarHBondContact O-N 3.41Å; K200-G202 PolarHBondContact O-N 2.98Å
201Q93.9Very high92.1Very high78 Ų7870.7 Ų70.736%0.36436%0.355SS..THydrogen-bonded Turntrans-8111.1170.6-57.9-56.8-52.400112.7L152 Y197 I198 M199 F203 R230L152-Q201 HydrophobicContact CD1-CB 4.14Å; L152-Q201 HydrophobicContact CD1-CG 3.63Å; Y197-Q201 HydrophobicContact CE1-CG 4.24Å; Y197-Q201 WeakPolarHBondContact O-CG 3.34Å; Y197-Q201 PolarHBondContact O-N 3.13Å; I198-Q201 WeakPolarHBondContact O-CB 3.38Å; I198-Q201 PolarHBondContact O-N 2.91Å; I198-Q201 VanDerWaalsContact O-N 3.12Å; M199-Q201 PolarHBondContact O-N 3.25Å; Q201-F203 HydrophobicContact CB-CD2 4.03Å; Q201-F203 HydrophobicContact CB-CE2 4.26Å; Q201-R230 PolarHBondContact O-NH1 3.32Å
202G92.9Very high91.4Very high49 Ų4975 Ų7551%0.50538%0.377SS..THydrogen-bonded Turntrans83.711.2176.300000114.3M199 K200 R230M199-G202 PolarHBondContact O-N 3.31Å; K200-G202 PolarHBondContact O-N 2.98Å; G202-R230 WeakPolarHBondContact O-CB 3.13Å
203F95.4Very high90.4Very high3 Ų375.2 Ų75.21%0.01337%0.374CS..  trans-82.1147171.3-70.2-96.4000111.7Q119 V121 V149 L152 I198 M199 Q201 F228 R230Q119-F203 HydrophobicContact CB-CE1 3.93Å; Q119-F203 HydrophobicContact CB-CZ 4.11Å; Q119-F203 WeakPolarHBondContact O-CE1 3.47Å; V121-F203 HydrophobicContact CB-CD1 4.49Å; V121-F203 HydrophobicContact CB-CE1 4.4Å; V121-F203 HydrophobicContact CG2-CD1 3.87Å; V121-F203 HydrophobicContact CG2-CD2 4.5Å; V121-F203 HydrophobicContact CG2-CE1 3.42Å; V121-F203 VanDerWaalsContact CG2-CE1 3.42Å; V121-F203 HydrophobicContact CG2-CE2 4.11Å; V121-F203 HydrophobicContact CG2-CG 4.4Å; V121-F203 HydrophobicContact CG2-CZ 3.56Å; V149-F203 HydrophobicContact CG2-CZ 4.11Å; L152-F203 HydrophobicContact CD2-CE2 4.13Å; L152-F203 HydrophobicContact CD2-CZ 4.44Å; I198-F203 HydrophobicContact CG2-CB 3.67Å; I198-F203 HydrophobicContact CG2-CD2 4.18Å; I198-F203 HydrophobicContact CG2-CG 3.99Å; I198-F203 WeakPolarHBondContact O-CB 3.42Å; I198-F203 PolarHBondContact O-N 2.93Å; M199-F203 WeakPolarHBondContact CA-O 3.45Å; Q201-F203 HydrophobicContact CB-CD2 4.03Å; Q201-F203 HydrophobicContact CB-CE2 4.26Å; F203-F228 HydrophobicContact CB-CB 4.02Å; F203-F228 HydrophobicContact CB-CD1 4.33Å; F203-F228 HydrophobicContact CD1-CB 4.2Å; F203-F228 HydrophobicContact CG-CB 4.45Å; F203-R230 HydrophobicContact CD1-CB 4.01Å; F203-R230 HydrophobicContact CD1-CG 3.87Å; F203-R230 HydrophobicContact CD2-CG 4.34Å; F203-R230 HydrophobicContact CE1-CB 4.28Å; F203-R230 HydrophobicContact CE1-CG 3.64Å; F203-R230 VanDerWaalsContact CE2-CD 3.49Å; F203-R230 HydrophobicContact CE2-CG 4.15Å; F203-R230 HydrophobicContact CG-CB 4.22Å; F203-R230 HydrophobicContact CG-CG 4.2Å; F203-R230 HydrophobicContact CZ-CG 3.79Å; F203-R230 VanDerWaalsContact CZ-NE 3.34Å
204T92.6Very high89.1Confident83 Ų8374.8 Ų74.851%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-119.7146.217754.80000110.1R206 F228 C229T204-R206 PolarHBondContact O-N 2.76Å; T204-F228 CarbonylContact O-C 3.54Å; T204-F228 VanDerWaalsContact O-CA 3.24Å; T204-F228 WeakPolarHBondContact O-CA 3.33Å; T204-C229 PolarHBondContact N-O 2.85Å; T204-C229 PolarHBondContact O-N 3.19Å; T204-C229 PolarHBondContact OG1-O 3.28Å; T204-C229 VanDerWaalsContact OG1-O 3.13Å
205I90.8Very high87.4Confident85 Ų8580.5 Ų80.544%0.43641%0.408SS..EExtended strand (participates in β ladder)trans-68121.1175.6-64171.5000108.2M199 T208 F228M199-I205 HydrophobicContact SD-CD1 4.42Å; I205-T208 HydrophobicContact CG2-CG2 3.76Å; I205-F228 HydrophobicContact CB-CE1 4.39Å; I205-F228 HydrophobicContact CD1-CE1 4.07Å; I205-F228 HydrophobicContact CD1-CZ 4.16Å; I205-F228 HydrophobicContact CG1-CD1 3.89Å; I205-F228 HydrophobicContact CG1-CE1 3.22Å; I205-F228 HydrophobicContact CG1-CZ 3.6Å
206R89.1Confident85.8Confident129 Ų12987.4 Ų87.449%0.48743%0.433SS..EExtended strand (participates in β ladder)trans-91.9-43.5173.3176.7168.4-68.7-160.8-9.4112.1E118 T204 T227 C229E118-R206 IonicContact OE1-CZ 2.64Å; E118-R206 IonicContact OE1-NE 2.74Å; E118-R206 IonicContact OE1-NH1 2.82Å; E118-R206 PolarHBondContact OE1-NH1 3.34Å; E118-R206 IonicContact OE1-NH2 2.7Å; E118-R206 PolarHBondContact OE1-NH2 3.36Å; E118-R206 IonicContact OE2-CZ 2.94Å; E118-R206 IonicContact OE2-NH1 3.08Å; E118-R206 PolarHBondContact OE2-NH1 2.84Å; E118-R206 IonicContact OE2-NH2 3.77Å; E118-R206 PolarHBondContact OE2-NH2 3.05Å; T204-R206 PolarHBondContact O-N 2.76Å; R206-T227 PolarHBondContact N-O 2.84Å; R206-C229 PolarHBondContact NE-SG 3.02Å; R206-C229 PolarHBondContact NH2-SG 3.28Å; R206-C229 VanDerWaalsContact NH2-SG 3.37Å
207N82.9Confident83.9Confident47 Ų4788.4 Ų88.425%0.25145%0.451SS..EExtended strand (participates in β ladder)trans-152.7145.8-168-176.126.7000110.5R209 W226 T227N207-R209 PolarHBondContact ND2-NE 3.46Å; N207-R209 PolarHBondContact ND2-NH2 3.14Å; N207-W226 WeakPolarHBondContact O-CA 3.43Å; N207-T227 PolarHBondContact N-O 3.25Å; N207-T227 PolarHBondContact O-N 2.87Å
208T88.9Confident82Confident83 Ų8391.3 Ų91.351%0.50947%0.469SS..EExtended strand (participates in β ladder)trans-133.3126175.4620000108.4I205 H225 W226I205-T208 HydrophobicContact CG2-CG2 3.76Å; T208-H225 CarbonylContact C-O 3.56Å; T208-H225 WeakPolarHBondContact CA-O 3.24Å; T208-W226 VanDerWaalsContact CG2-CD1 3.42Å; T208-W226 HydrophobicContact CG2-CG 4.42Å
209R87.3Confident80.3Confident146 Ų14692.6 Ų92.655%0.55148%0.475SS*.EExtended strand (participates in β ladder)trans-129.6149.6-179.8-66.5-178.1178.3157.25.2110.7N207 H225N207-R209 PolarHBondContact ND2-NE 3.46Å; N207-R209 PolarHBondContact ND2-NH2 3.14Å; R209-H225 PolarHBondContact N-O 3.42Å; R209-H225 PolarHBondContact O-N 2.74Å
210V86.1Confident79.3Confident82 Ų8292.4 Ų92.450%0.49748%0.476SS..EExtended strand (participates in β ladder)trans-125.8124.6173.3-176.50000108V222 E223V210-V222 HydrophobicContact CG1-CG1 4.33Å; V210-E223 CarbonylContact C-O 3.52Å; V210-E223 WeakPolarHBondContact CA-O 3.07Å
211H82.1Confident78.5Confident90 Ų9085.9 Ų85.942%0.41745%0.449SS..EExtended strand (participates in β ladder)trans-116.6127.2177.8-70.5-82.1000109.9E223H211-E223 HydrophobicContact CB-CB 4.46Å; H211-E223 PolarHBondContact N-O 3.1Å; H211-E223 PolarHBondContact O-N 2.89Å
212H80.3Confident78Confident149 Ų14984.1 Ų84.169%0.6944%0.443SS*.EExtended strand (participates in β ladder)trans-103.9117172-65.3-87.4000108.2
213M72.5Confident77.7Confident86 Ų8684 Ų8442%0.42443%0.43SS..EExtended strand (participates in β ladder)trans-119.3133.1-179-60.117573.700109.4T221M213-T221 PolarHBondContact N-O 2.65Å; M213-T221 PolarHBondContact O-N 2.94Å
214S67.8Low77.5Confident87 Ų8786.3 Ų86.361%0.60844%0.44SS*.EExtended strand (participates in β ladder)trans-119.290.3171.6165.80000107.5R216S214-R216 VanDerWaalsContact C-N 3.29Å
215E58.8Low77.5Confident120 Ų12084.1 Ų84.156%0.56142%0.424SS*.EExtended strand (participates in β ladder)trans-71.5-26.4179.5-70-178.5158.500111.6K128K128-E215 IonicContact NZ-OE2 3.46Å
216R62.7Low77.7Confident169 Ų16982.1 Ų82.164%0.63841%0.411SS*.EExtended strand (participates in β ladder)trans-152.3159.5178.3-62.4-176.5-177.4149.7-6.5111S214 N218 E219S214-R216 VanDerWaalsContact C-N 3.29Å; R216-N218 PolarHBondContact O-N 2.95Å; R216-E219 HydrophobicContact CB-CB 4.37Å; R216-E219 IonicContact CZ-OE1 3.21Å; R216-E219 IonicContact NH1-OE1 3.69Å; R216-E219 PolarHBondContact NH1-OE1 3.19Å; R216-E219 PolarHBondContact O-N 3.05Å
217A55Low78Confident95 Ų9577 Ų7779%0.78539%0.394SS*.THydrogen-bonded Turntrans-54.4-1717900000115.4
218N56.2Low78.6Confident96 Ų9674.7 Ų74.751%0.51338%0.382SS..THydrogen-bonded Turntrans-118.75.1-176.7-67.1-18000114.1K131 R216K131-N218 HydrophobicContact CB-CB 4.33Å; K131-N218 HydrophobicContact CD-CB 4.43Å; R216-N218 PolarHBondContact O-N 2.95Å
219E62.1Low78.8Confident27 Ų2771.3 Ų71.313%0.12636%0.361CS..EExtended strand (participates in β ladder)trans-127.3113.4-178.3-68-179.9-14000109.8K128 L129 R216K128-E219 WeakPolarHBondContact CE-OE2 3.3Å; K128-E219 IonicContact NZ-OE2 2.69Å; K128-E219 PolarHBondContact NZ-OE2 2.8Å; L129-E219 WeakPolarHBondContact O-CA 3Å; R216-E219 HydrophobicContact CB-CB 4.37Å; R216-E219 IonicContact CZ-OE1 3.21Å; R216-E219 IonicContact NH1-OE1 3.69Å; R216-E219 PolarHBondContact NH1-OE1 3.19Å; R216-E219 PolarHBondContact O-N 3.05Å
220N72.1Confident79Confident89 Ų8967.2 Ų67.248%0.47635%0.346SS..EExtended strand (participates in β ladder)trans-107.5124.1172.9-71.7-9.8000108.8L129L129-N220 HydrophobicContact CB-CB 4.33Å; L129-N220 WeakPolarHBondContact CB-O 3.38Å; L129-N220 HydrophobicContact CD2-CB 4.42Å; L129-N220 PolarHBondContact N-O 3.28Å; L129-N220 PolarHBondContact O-N 3.02Å
221T78.7Confident79Confident11 Ų1167.2 Ų67.27%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-114.6128.8174.8-58.30000109.3T126 R127 M213T126-T221 HydrophobicContact CG2-CG2 3.6Å; R127-T221 CarbonylContact O-C 3.57Å; R127-T221 VanDerWaalsContact O-CA 3.28Å; R127-T221 WeakPolarHBondContact O-CA 3.16Å; M213-T221 PolarHBondContact N-O 2.65Å; M213-T221 PolarHBondContact O-N 2.94Å
222V83.9Confident79Confident41 Ų4163.6 Ų63.625%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-117.3122.8171.5-177.80000107.8R127 V210R127-V222 PolarHBondContact N-O 2.9Å; R127-V222 PolarHBondContact O-N 3.28Å; V210-V222 HydrophobicContact CG1-CG1 4.33Å
223E87.3Confident78.9Confident47 Ų4764.9 Ų64.922%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-114.5125.2175.9-175.1174.9-159.500109.9S124 S125 V210 H211S124-E223 WeakPolarHBondContact CB-OE1 3.47Å; S125-E223 WeakPolarHBondContact O-CA 3.48Å; V210-E223 CarbonylContact C-O 3.52Å; V210-E223 WeakPolarHBondContact CA-O 3.07Å; H211-E223 HydrophobicContact CB-CB 4.46Å; H211-E223 PolarHBondContact N-O 3.1Å; H211-E223 PolarHBondContact O-N 2.89Å
224H90.2Very high78.6Confident51 Ų5168 Ų6824%0.23634%0.343CS..EExtended strand (participates in β ladder)trans-99.6134.2164.1-60.3137.5000108.8S124 S125 W226S124-H224 CarbonylContact C-O 3.51Å; S124-H224 WeakPolarHBondContact CA-O 3.46Å; S125-H224 PolarHBondContact N-O 2.8Å; S125-H224 PolarHBondContact O-N 2.87Å; H224-W226 HydrophobicContact CB-CE3 4.29Å; H224-W226 HydrophobicContact CB-CH2 3.18Å; H224-W226 HydrophobicContact CB-CZ2 3.79Å; H224-W226 HydrophobicContact CB-CZ3 3.49Å; H224-W226 VanDerWaalsContact CB-CZ3 3.49Å; H224-W226 AromaticContact CG-CH2 3.92Å
225H92.8Very high78.3Confident37 Ų3769.5 Ų69.517%0.17135%0.349CS..EExtended strand (participates in β ladder)trans-129.2131-178.6-167.9101.4000109.9E122 T208 R209E122-H225 IonicContact OE2-CE1 2.8Å; T208-H225 CarbonylContact C-O 3.56Å; T208-H225 WeakPolarHBondContact CA-O 3.24Å; R209-H225 PolarHBondContact N-O 3.42Å; R209-H225 PolarHBondContact O-N 2.74Å
226W96.1Very high77.7Confident43 Ų4373 Ų7316%0.16337%0.365CS..EExtended strand (participates in β ladder)trans-123.9129.9177.2-62.7-95.9000109.5E122 L123 M195 N207 T208 H224 F228E122-W226 WeakPolarHBondContact CA-O 3.36Å; L123-W226 HydrophobicContact CG-CE3 4.4Å; L123-W226 PolarHBondContact N-O 2.93Å; L123-W226 PolarHBondContact O-N 3.31Å; M195-W226 HydrophobicContact CE-CB 3.78Å; M195-W226 HydrophobicContact CE-CD2 3.21Å; M195-W226 HydrophobicContact CE-CE3 3.29Å; M195-W226 HydrophobicContact CE-CG 3.42Å; M195-W226 VanDerWaalsContact CE-CG 3.42Å; M195-W226 HydrophobicContact CE-CH2 4.5Å; M195-W226 HydrophobicContact CE-CZ2 4.44Å; M195-W226 HydrophobicContact CE-CZ3 3.97Å; N207-W226 WeakPolarHBondContact O-CA 3.43Å; T208-W226 VanDerWaalsContact CG2-CD1 3.42Å; T208-W226 HydrophobicContact CG2-CG 4.42Å; H224-W226 HydrophobicContact CB-CE3 4.29Å; H224-W226 HydrophobicContact CB-CH2 3.18Å; H224-W226 HydrophobicContact CB-CZ2 3.79Å; H224-W226 HydrophobicContact CB-CZ3 3.49Å; H224-W226 VanDerWaalsContact CB-CZ3 3.49Å; H224-W226 AromaticContact CG-CH2 3.92Å; W226-F228 HydrophobicContact CB-CD2 4.37Å; W226-F228 HydrophobicContact CB-CE2 3.6Å; W226-F228 HydrophobicContact CB-CZ 4.29Å
227T94.1Very high76.6Confident20 Ų2075.8 Ų75.812%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-110128.4175.5-46.70000109.3V120 R206 N207V120-T227 HydrophobicContact CG1-CG2 3.7Å; R206-T227 PolarHBondContact N-O 2.84Å; N207-T227 PolarHBondContact N-O 3.25Å; N207-T227 PolarHBondContact O-N 2.87Å
228F96Very high77.6Confident0 Ų074.9 Ų74.90%037%0.373CS..EExtended strand (participates in β ladder)trans-115.1137.9-179.9-70.9-93.2000110V120 V121 L123 M195 I198 M199 F203 T204 I205 W226V120-F228 WeakPolarHBondContact CA-O 3.23Å; V121-F228 HydrophobicContact CB-CB 4.04Å; V121-F228 PolarHBondContact N-O 3.19Å; V121-F228 WeakPolarHBondContact O-CB 3.5Å; V121-F228 PolarHBondContact O-N 2.95Å; L123-F228 HydrophobicContact CB-CE2 4.43Å; M195-F228 HydrophobicContact CE-CE2 4.16Å; M195-F228 HydrophobicContact CE-CZ 4.28Å; M195-F228 HydrophobicContact CG-CZ 4.41Å; M195-F228 HydrophobicContact SD-CE1 4.27Å; M195-F228 HydrophobicContact SD-CE2 3.38Å; M195-F228 WeakPolarHBondContact SD-CE2 3.35Å; M195-F228 HydrophobicContact SD-CZ 3.12Å; M195-F228 WeakPolarHBondContact SD-CZ 3.31Å; I198-F228 HydrophobicContact CG2-CB 3.94Å; I198-F228 HydrophobicContact CG2-CD1 3.62Å; I198-F228 HydrophobicContact CG2-CD2 4.21Å; I198-F228 HydrophobicContact CG2-CE1 4.2Å; I198-F228 HydrophobicContact CG2-CG 3.65Å; M199-F228 HydrophobicContact CG-CD1 4.4Å; M199-F228 HydrophobicContact CG-CE1 3.89Å; M199-F228 HydrophobicContact SD-CE1 4.41Å; F203-F228 HydrophobicContact CB-CB 4.02Å; F203-F228 HydrophobicContact CB-CD1 4.33Å; F203-F228 HydrophobicContact CD1-CB 4.2Å; F203-F228 HydrophobicContact CG-CB 4.45Å; T204-F228 CarbonylContact O-C 3.54Å; T204-F228 VanDerWaalsContact O-CA 3.24Å; T204-F228 WeakPolarHBondContact O-CA 3.33Å; I205-F228 HydrophobicContact CB-CE1 4.39Å; I205-F228 HydrophobicContact CD1-CE1 4.07Å; I205-F228 HydrophobicContact CD1-CZ 4.16Å; I205-F228 HydrophobicContact CG1-CD1 3.89Å; I205-F228 HydrophobicContact CG1-CE1 3.22Å; I205-F228 HydrophobicContact CG1-CZ 3.6Å; W226-F228 HydrophobicContact CB-CD2 4.37Å; W226-F228 HydrophobicContact CB-CE2 3.6Å; W226-F228 HydrophobicContact CB-CZ 4.29Å
229C92.3Very high78.8Confident11 Ų1173.7 Ų73.77%0.07437%0.366CS..EExtended strand (participates in β ladder)trans-130.7146.1179.159.80000112.7E118 Q119 T204 R206E118-C229 HydrophobicContact CG-CB 3.92Å; E118-C229 WeakPolarHBondContact OE1-CB 3.39Å; Q119-C229 WeakPolarHBondContact O-CA 3.42Å; T204-C229 PolarHBondContact N-O 2.85Å; T204-C229 PolarHBondContact O-N 3.19Å; T204-C229 PolarHBondContact OG1-O 3.28Å; T204-C229 VanDerWaalsContact OG1-O 3.13Å; R206-C229 PolarHBondContact NE-SG 3.02Å; R206-C229 PolarHBondContact NH2-SG 3.28Å; R206-C229 VanDerWaalsContact NH2-SG 3.37Å
230R92.6Very high79.7Confident61 Ų6176.3 Ų76.323%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-141.5146.2161.674.4-178.5-179.9-177.81.6111.1Q119 Q201 G202 F203Q119-R230 HydrophobicContact CB-CG 4.07Å; Q119-R230 PolarHBondContact N-O 3.06Å; Q119-R230 PolarHBondContact O-N 3.4Å; Q201-R230 PolarHBondContact O-NH1 3.32Å; G202-R230 WeakPolarHBondContact O-CB 3.13Å; F203-R230 HydrophobicContact CD1-CB 4.01Å; F203-R230 HydrophobicContact CD1-CG 3.87Å; F203-R230 HydrophobicContact CD2-CG 4.34Å; F203-R230 HydrophobicContact CE1-CB 4.28Å; F203-R230 HydrophobicContact CE1-CG 3.64Å; F203-R230 VanDerWaalsContact CE2-CD 3.49Å; F203-R230 HydrophobicContact CE2-CG 4.15Å; F203-R230 HydrophobicContact CG-CB 4.22Å; F203-R230 HydrophobicContact CG-CG 4.2Å; F203-R230 HydrophobicContact CZ-CG 3.79Å; F203-R230 VanDerWaalsContact CZ-NE 3.34Å
231P86.1Confident80.1Confident81 Ų8175.6 Ų75.653%0.52637%0.373SS..EExtended strand (participates in β ladder)trans-66.9140.2166.728.5-32000110I116I116-P231 HydrophobicContact CG2-CB 3.77Å
232A81.9Confident80.2Confident14 Ų1479.6 Ų79.612%0.11639%0.392CS..EExtended strand (participates in β ladder)trans-139.3146.4177.200000109.8I116 F117 Q119I116-A232 CarbonylContact C-O 3.52Å; I116-A232 VanDerWaalsContact CA-O 3.25Å; I116-A232 WeakPolarHBondContact CA-O 3.5Å; F117-A232 WeakPolarHBondContact CD1-O 3.46Å; F117-A232 HydrophobicContact CE1-CB 4.14Å; F117-A232 HydrophobicContact CE2-CB 4.16Å; F117-A232 HydrophobicContact CZ-CB 3.94Å; F117-A232 PolarHBondContact N-O 2.95Å; F117-A232 PolarHBondContact O-N 3.1Å; F117-A232 VanDerWaalsContact O-O 3.05Å; Q119-A232 HydrophobicContact CB-CB 4.48Å; Q119-A232 VanDerWaalsContact CD-CB 3.43Å; Q119-A232 HydrophobicContact CG-CB 3.63Å
233R78.6Confident80Confident176 Ų17682.2 Ų82.266%0.66440%0.402SS*.EExtended strand (participates in β ladder)trans-93.2144.5175.2-71.7178.4-174.9-179.40.9110.6D115 I116 V235D115-R233 CarbonylContact O-C 3.57Å; D115-R233 WeakPolarHBondContact O-CA 3.33Å; I116-R233 HydrophobicContact CG1-CG 3.86Å; R233-V235 PolarHBondContact O-N 3.08Å
234K66.2Low79.5Confident151 Ų15184.7 Ų84.766%0.65742%0.415SS*.PPolyproline II helixtrans-62.1116.2160.9-78.6-178177.5174.80107.1D115 F117 E236D115-K234 PolarHBondContact O-N 2.91Å; F117-K234 HydrophobicContact CD1-CG 4.07Å; F117-K234 HydrophobicContact CE1-CG 4.08Å; K234-E236 PolarHBondContact O-N 3.43Å
235V61.6Low78.6Confident120 Ų12087.3 Ų87.373%0.72743%0.429SS*.PPolyproline II helixtrans-75.6121166.3-174.50000104.9R233 D237R233-V235 PolarHBondContact O-N 3.08Å; V235-D237 PolarHBondContact O-N 2.87Å
236E45.6Very low77.4Confident194 Ų19491.5 Ų91.591%0.90745%0.45SS*.  trans-66.9111.5166.6-71.3-178.8161.500106.6K234K234-E236 PolarHBondContact O-N 3.43Å
237D38.4Very low75.8Confident227 Ų22795.9 Ų95.9100%1.21448%0.476SS*.  trans-80.30166.6-77.2-29.3000110.1V235V235-D237 PolarHBondContact O-N 2.87Å

Retrieved 237 of 237 residues in 157.7 ms (Link to these results)

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