A0A061AD62_CAEEL Loading...

MIF4G domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AD62, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 431 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
1M27.6Very low26.3Very low239 Ų239142.2 Ų142.2100%1.17784%0.84SS**  083.40-99.5174.7167.200103.6
2D22.2Very low26.9Very low158 Ų158139.9 Ų139.985%0.84584%0.837SS**  trans-105.1115.9-178.1-66.8-51.6000106.3I4D2-I4 PolarHBondContact O-N 3.25Å
3D21.6Very low28Very low167 Ų167135.5 Ų135.589%0.89384%0.839SS**  trans-66.7116.6174.5-81.7-41.5000109.1A5D3-A5 PolarHBondContact O-N 3.05Å; D3-A5 VanDerWaalsContact O-N 3.16Å
4I24.2Very low29.2Very low158 Ų158138.9 Ų138.981%0.8184%0.839SS**  trans-73.9102169.4-63.3172.2000106.6D2 V6D2-I4 PolarHBondContact O-N 3.25Å; I4-V6 PolarHBondContact O-N 3.21Å
5A21.6Very low31.4Very low92 Ų92137 Ų13776%0.7682%0.823SS**  trans-67.3112.6173.300000110D3D3-A5 PolarHBondContact O-N 3.05Å; D3-A5 VanDerWaalsContact O-N 3.16Å
6V24.9Very low34.9Very low122 Ų122132.2 Ų132.274%0.73980%0.798SS**  trans-77.8120.9164.9178.80000107.7I4 I8I4-V6 PolarHBondContact O-N 3.21Å; V6-I8 PolarHBondContact O-N 3.47Å
7P26.7Very low38.3Very low121 Ų121128.5 Ų128.579%0.78678%0.776SS**  trans-82112.3176.97.37.9000110.1
8I28.6Very low41.4Very low162 Ų162122.4 Ų122.483%0.83174%0.738SS**  trans-78.7111.4159.8-61.4171.2000106.4V6 S10V6-I8 PolarHBondContact O-N 3.47Å; I8-S10 PolarHBondContact O-N 3.42Å
9A28.5Very low44.2Very low87 Ų87116.4 Ų116.472%0.71970%0.702SS**PPolyproline II helixtrans-78.2117.517300000109.5
10S27.8Very low46.7Very low115 Ų115110.8 Ų110.880%0.80467%0.668SS**PPolyproline II helixtrans-76.7119.5171.649.30000110.1I8I8-S10 PolarHBondContact O-N 3.42Å
11T36Very low49.1Very low143 Ų143108.9 Ų108.988%0.87765%0.652SS**PPolyproline II helixtrans-73.1123.5174.649.50000111.7
12S33.7Very low52.3Low115 Ų11597.9 Ų97.980%0.80460%0.597SS**  trans-140.9118.9150.860.10000108
13G41.3Very low55.8Low83 Ų8393.5 Ų93.586%0.85658%0.578SS**  trans-67.9126.4-16900000114.4
14E44Very low59.3Low182 Ų18286.7 Ų86.785%0.8554%0.539SS*.SBendtrans-172.3134.3142.6-101.8177.8-175.600104.6S16E14-S16 PolarHBondContact O-N 3.36Å
15D63.1Low62.6Low111 Ų11183.5 Ų83.559%0.59453%0.528SS*.  trans-19.889.7-172.5-83.6-19.5000114.8V17 K161D15-V17 PolarHBondContact O-N 3.22Å; D15-K161 IonicContact OD2-NZ 3.87Å; D15-K161 PolarHBondContact OD2-NZ 2.99Å
16S87.4Confident66Low60 Ų6079.6 Ų79.642%0.4249%0.494SS..  trans-64.3129179.1173.20000108.9E14 E162E14-S16 PolarHBondContact O-N 3.36Å; S16-E162 WeakPolarHBondContact CB-OE2 3.36Å; S16-E162 WeakPolarHBondContact O-CB 3.13Å; S16-E162 PolarHBondContact O-N 3.37Å; S16-E162 PolarHBondContact OG-OE2 3.18Å
17V91.4Very high69.2Low70 Ų7079 Ų7942%0.42448%0.481SS..EExtended strand (participates in β ladder)trans-112.2131.5-179.9178.40000109.1D15 E96 K159 M160D15-V17 PolarHBondContact O-N 3.22Å; V17-E96 HydrophobicContact CG2-CG 4.3Å; V17-K159 HydrophobicContact CG1-CB 3.66Å; V17-K159 HydrophobicContact CG1-CD 4.36Å; V17-K159 HydrophobicContact CG1-CG 4.3Å; V17-M160 WeakPolarHBondContact CA-O 3.46Å
18I93.8Very high72.3Confident18 Ų1873.2 Ų73.29%0.09244%0.444CS..EExtended strand (participates in β ladder)trans-103135.6178.3-52.4176.8000108.5F20 Y50 K159 M160 E162 F165 L388I18-F20 HydrophobicContact CB-CE2 3.92Å; I18-F20 HydrophobicContact CB-CZ 4.23Å; I18-F20 HydrophobicContact CG2-CD2 4.3Å; I18-F20 HydrophobicContact CG2-CE1 4.22Å; I18-F20 HydrophobicContact CG2-CE2 3.62Å; I18-F20 HydrophobicContact CG2-CZ 3.58Å; I18-Y50 HydrophobicContact CD1-CD1 3.14Å; I18-Y50 HydrophobicContact CD1-CD2 3.96Å; I18-Y50 HydrophobicContact CD1-CE1 3.32Å; I18-Y50 HydrophobicContact CD1-CE2 4.12Å; I18-Y50 HydrophobicContact CD1-CG 3.48Å; I18-Y50 VanDerWaalsContact CD1-CG 3.48Å; I18-K159 WeakPolarHBondContact O-CA 3.32Å; I18-M160 PolarHBondContact N-O 2.86Å; I18-M160 PolarHBondContact O-N 3.18Å; I18-E162 HydrophobicContact CD1-CB 3.93Å; I18-E162 HydrophobicContact CD1-CG 3.98Å; I18-E162 HydrophobicContact CG1-CB 4.08Å; I18-F165 HydrophobicContact CD1-CD2 4.01Å; I18-F165 HydrophobicContact CD1-CE2 4.37Å; I18-L388 HydrophobicContact CG2-CD2 3.66Å
19S94.6Very high75.2Confident8 Ų867.8 Ų67.86%0.05642%0.42CS..EExtended strand (participates in β ladder)trans-108.6130.8178.9-163.80000111.1E157 S389S19-E157 WeakPolarHBondContact OG-CG 3.2Å; S19-E157 PolarHBondContact OG-OE1 2.83Å; S19-S389 WeakPolarHBondContact CB-OG 3.12Å; S19-S389 PolarHBondContact O-N 3.45Å; S19-S389 PolarHBondContact O-OG 3.29Å; S19-S389 PolarHBondContact OG-OG 3.24Å; S19-S389 VanDerWaalsContact OG-OG 3.08Å
20F95.9Very high78Confident4 Ų467.2 Ų67.22%0.01840%0.402CS..EExtended strand (participates in β ladder)trans-119.9128.9-179.6-61-89.3000109.6I18 T48 S49 E157 I158 M160 F165 V386 L388I18-F20 HydrophobicContact CB-CE2 3.92Å; I18-F20 HydrophobicContact CB-CZ 4.23Å; I18-F20 HydrophobicContact CG2-CD2 4.3Å; I18-F20 HydrophobicContact CG2-CE1 4.22Å; I18-F20 HydrophobicContact CG2-CE2 3.62Å; I18-F20 HydrophobicContact CG2-CZ 3.58Å; F20-T48 HydrophobicContact CB-CG2 3.52Å; F20-T48 HydrophobicContact CD1-CG2 3.85Å; F20-T48 HydrophobicContact CD2-CG2 3.79Å; F20-T48 HydrophobicContact CE1-CG2 4.49Å; F20-T48 HydrophobicContact CE2-CG2 4.46Å; F20-T48 HydrophobicContact CG-CG2 3.44Å; F20-T48 VanDerWaalsContact CG-CG2 3.44Å; F20-S49 WeakPolarHBondContact CE1-O 3.49Å; F20-E157 CarbonylContact O-C 3.48Å; F20-E157 VanDerWaalsContact O-CA 3.29Å; F20-E157 WeakPolarHBondContact O-CA 3.46Å; F20-I158 PolarHBondContact N-O 2.84Å; F20-I158 PolarHBondContact O-N 3Å; F20-M160 HydrophobicContact CE2-CB 4.41Å; F20-M160 HydrophobicContact CE2-SD 4.41Å; F20-F165 HydrophobicContact CE1-CZ 4.46Å; F20-F165 HydrophobicContact CE2-CE1 4.37Å; F20-F165 AromaticContact CE2-CE2 3.81Å; F20-F165 HydrophobicContact CE2-CE2 3.81Å; F20-F165 AromaticContact CE2-CZ 3.44Å; F20-F165 HydrophobicContact CE2-CZ 3.44Å; F20-F165 VanDerWaalsContact CE2-CZ 3.44Å; F20-F165 AromaticContact CZ-CE1 3.84Å; F20-F165 HydrophobicContact CZ-CE1 3.84Å; F20-F165 AromaticContact CZ-CE2 3.87Å; F20-F165 HydrophobicContact CZ-CE2 3.87Å; F20-F165 AromaticContact CZ-CZ 3.33Å; F20-F165 HydrophobicContact CZ-CZ 3.33Å; F20-V386 HydrophobicContact CB-CG1 3.79Å; F20-V386 HydrophobicContact CD1-CG1 3.99Å; F20-V386 HydrophobicContact CG-CG1 4.37Å; F20-L388 HydrophobicContact CD1-CD2 3.62Å; F20-L388 HydrophobicContact CE1-CD2 3.3Å; F20-L388 HydrophobicContact CE1-CG 4.38Å; F20-L388 HydrophobicContact CZ-CD2 3.99Å
21Q95.7Very high80.6Confident71 Ų7168.8 Ų68.833%0.33239%0.391SS..EExtended strand (participates in β ladder)trans-109.7131.7178-172.5176.168.700111.2V155 V156 V386 S387Q21-V155 HydrophobicContact CG-CG1 3.62Å; Q21-V156 CarbonylContact C-O 3.56Å; Q21-V156 WeakPolarHBondContact CA-O 3.43Å; Q21-V386 WeakPolarHBondContact O-CA 3.34Å; Q21-S387 PolarHBondContact N-O 2.96Å; Q21-S387 PolarHBondContact O-N 3.31Å; Q21-S387 PolarHBondContact O-OG 3.06Å
22H95.6Very high82.8Confident8 Ų869.1 Ų69.14%0.03738%0.382CS..EExtended strand (participates in β ladder)trans-125.4114175.7178.350.4000111.1F46 V156 R385 V386H22-F46 HydrophobicContact CB-CD2 3.85Å; H22-F46 HydrophobicContact CB-CE2 3.8Å; H22-F46 HydrophobicContact CB-CG 4.35Å; H22-F46 HydrophobicContact CB-CZ 4.29Å; H22-F46 AromaticContact CD2-CD1 3.35Å; H22-F46 WeakPolarHBondContact CD2-CD1 3.39Å; H22-F46 AromaticContact CD2-CD2 3.91Å; H22-F46 AromaticContact CD2-CE1 3.45Å; H22-F46 VanDerWaalsContact CD2-CE1 3.45Å; H22-F46 WeakPolarHBondContact CD2-CE1 3.42Å; H22-F46 AromaticContact CD2-CE2 3.97Å; H22-F46 AromaticContact CD2-CG 3.59Å; H22-F46 AromaticContact CD2-CZ 3.75Å; H22-F46 AromaticContact CE1-CG 3.98Å; H22-F46 AromaticContact CG-CD1 3.94Å; H22-F46 AromaticContact CG-CD2 3.68Å; H22-F46 AromaticContact CG-CE2 3.92Å; H22-F46 AromaticContact CG-CG 3.66Å; H22-F46 AromaticContact ND1-CG 3.9Å; H22-F46 AromaticContact NE2-CD1 3.46Å; H22-F46 WeakPolarHBondContact NE2-CD1 3.45Å; H22-F46 AromaticContact NE2-CE1 3.96Å; H22-F46 AromaticContact NE2-CG 3.79Å; H22-V156 PolarHBondContact N-O 2.83Å; H22-V156 PolarHBondContact O-N 3.2Å; H22-R385 PolarHBondContact ND1-O 2.82Å; H22-V386 HydrophobicContact CB-CG2 4.4Å
23P94.6Very high84.9Confident66 Ų6667.8 Ų67.843%0.42937%0.365SS..EExtended strand (participates in β ladder)trans-83.6126.6167.531.1-31.1000111.3L153P23-L153 HydrophobicContact CB-CD1 3.95Å
24W96Very high86.8Confident24 Ų2472.1 Ų72.19%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-118.9100.5174.5175.431.7000110.6L26 N41 S43 L59 L61 L81 V154W24-L26 HydrophobicContact CD2-CB 4.44Å; W24-L26 HydrophobicContact CD2-CD2 3.99Å; W24-L26 HydrophobicContact CE3-CD2 4.02Å; W24-L26 HydrophobicContact CH2-CD1 4.3Å; W24-L26 HydrophobicContact CH2-CD2 4.24Å; W24-L26 HydrophobicContact CZ2-CB 3.87Å; W24-L26 HydrophobicContact CZ2-CD1 4.24Å; W24-L26 HydrophobicContact CZ2-CD2 4.18Å; W24-L26 HydrophobicContact CZ2-CG 4.33Å; W24-L26 HydrophobicContact CZ3-CD2 4.15Å; W24-N41 HydrophobicContact CH2-CB 4.33Å; W24-N41 HydrophobicContact CZ2-CB 4.38Å; W24-S43 VanDerWaalsContact CE2-CB 3.48Å; W24-L59 HydrophobicContact CB-CD1 4.15Å; W24-L59 HydrophobicContact CD2-CB 4.42Å; W24-L59 HydrophobicContact CD2-CD1 4.28Å; W24-L59 HydrophobicContact CE3-CB 3.63Å; W24-L59 HydrophobicContact CE3-CD1 3.64Å; W24-L59 HydrophobicContact CE3-CG 4.29Å; W24-L59 HydrophobicContact CH2-CB 4.41Å; W24-L59 HydrophobicContact CZ3-CB 3.61Å; W24-L59 HydrophobicContact CZ3-CD1 4.42Å; W24-L61 HydrophobicContact CH2-CB 4.17Å; W24-L61 HydrophobicContact CZ3-CB 4.4Å; W24-L81 HydrophobicContact CZ3-CD1 3.99Å; W24-V154 HydrophobicContact CB-CB 4.32Å; W24-V154 HydrophobicContact CE3-CB 4.06Å; W24-V154 HydrophobicContact CE3-CG1 4.41Å; W24-V154 HydrophobicContact CE3-CG2 4.01Å; W24-V154 HydrophobicContact CZ3-CG2 4.48Å; W24-V154 PolarHBondContact N-O 3.28Å; W24-V154 PolarHBondContact O-N 3.39Å
25T93.6Very high88.4Confident92 Ų9271.1 Ų71.156%0.56436%0.364SS*.EExtended strand (participates in β ladder)trans-77.3120.8167.5-48.20000109.3L152T25-L152 WeakPolarHBondContact CA-O 3.18Å
26L93.3Very high89Confident10 Ų1070 Ų705%0.05236%0.355CS..EExtended strand (participates in β ladder)trans-125.5145.8174.273.2138.9000111.8W24 V28 N41 L61 N151 L152 V154W24-L26 HydrophobicContact CD2-CB 4.44Å; W24-L26 HydrophobicContact CD2-CD2 3.99Å; W24-L26 HydrophobicContact CE3-CD2 4.02Å; W24-L26 HydrophobicContact CH2-CD1 4.3Å; W24-L26 HydrophobicContact CH2-CD2 4.24Å; W24-L26 HydrophobicContact CZ2-CB 3.87Å; W24-L26 HydrophobicContact CZ2-CD1 4.24Å; W24-L26 HydrophobicContact CZ2-CD2 4.18Å; W24-L26 HydrophobicContact CZ2-CG 4.33Å; W24-L26 HydrophobicContact CZ3-CD2 4.15Å; L26-V28 HydrophobicContact CD1-CG2 3.95Å; L26-V28 HydrophobicContact CG-CG2 4.48Å; L26-N41 HydrophobicContact CD1-CB 3.96Å; L26-L61 HydrophobicContact CD1-CD2 3.95Å; L26-N151 CarbonylContact O-C 3.47Å; L26-N151 VanDerWaalsContact O-CA 3.27Å; L26-N151 WeakPolarHBondContact O-CA 3.45Å; L26-L152 HydrophobicContact CD2-CB 4.3Å; L26-L152 HydrophobicContact CG-CB 4.47Å; L26-L152 PolarHBondContact N-O 2.91Å; L26-L152 PolarHBondContact O-N 3.39Å; L26-V154 HydrophobicContact CD2-CB 4.44Å; L26-V154 HydrophobicContact CD2-CG2 3.36Å
27K92.6Very high88.7Confident109 Ų10970 Ų7047%0.47435%0.352SS..EExtended strand (participates in β ladder)trans-87.5121.5158-172.8178.8178-176.60107.1C29 N41 D149 S150 N151K27-C29 PolarHBondContact O-N 2.81Å; K27-C29 VanDerWaalsContact O-N 3.12Å; K27-N41 PolarHBondContact O-OD1 3.1Å; K27-D149 WeakPolarHBondContact CE-O 3.41Å; K27-S150 WeakPolarHBondContact CA-O 3.36Å; K27-N151 WeakPolarHBondContact CB-OD1 3.44Å
28V90.7Very high88.4Confident0 Ų068.2 Ų68.20%034%0.34CS..  trans-72.2108.4-179.3-176.40000108.6L26 L39 V144 K147 V148 D149 S150 L152L26-V28 HydrophobicContact CD1-CG2 3.95Å; L26-V28 HydrophobicContact CG-CG2 4.48Å; V28-L39 HydrophobicContact CG1-CD1 3.65Å; V28-L39 HydrophobicContact CG1-CG 4.38Å; V28-V144 HydrophobicContact CG1-CG1 4.07Å; V28-K147 WeakPolarHBondContact CB-O 3.47Å; V28-V148 HydrophobicContact CG1-CG2 4.11Å; V28-D149 PolarHBondContact O-N 3.12Å; V28-S150 PolarHBondContact N-O 3.1Å; V28-L152 HydrophobicContact CG2-CB 4.44Å; V28-L152 HydrophobicContact CG2-CD1 3.49Å; V28-L152 VanDerWaalsContact CG2-CD1 3.49Å; V28-L152 HydrophobicContact CG2-CG 3.84Å
29C88.8Confident88.2Confident47 Ų4767.3 Ų67.332%0.31834%0.335SS..  trans-110.5148.6177.7-63.10000110.7K27 N41K27-C29 PolarHBondContact O-N 2.81Å; K27-C29 VanDerWaalsContact O-N 3.12Å; C29-N41 PolarHBondContact N-OD1 2.94Å; C29-N41 VanDerWaalsContact N-OD1 3.1Å; C29-N41 PolarHBondContact O-ND2 3.37Å
30Q88.8Confident88Confident76 Ų7668.5 Ų68.536%0.35534%0.341SS..EExtended strand (participates in β ladder)trans-104.1150.7165.5-65-179.3-3700109.8T37 I38 V148Q30-T37 HydrophobicContact CB-CG2 3.45Å; Q30-T37 VanDerWaalsContact CB-CG2 3.45Å; Q30-T37 HydrophobicContact CG-CG2 4.07Å; Q30-T37 VanDerWaalsContact OE1-CG2 3.3Å; Q30-I38 CarbonylContact C-O 3.52Å; Q30-I38 WeakPolarHBondContact CA-O 3.43Å; Q30-V148 HydrophobicContact CG-CG1 4.04Å; Q30-V148 HydrophobicContact CG-CG2 4.01Å
31R82.7Confident87.9Confident148 Ų14869.2 Ų69.256%0.55835%0.345SS*.EExtended strand (participates in β ladder)trans-117.7133.6174.7-66.2-173.2-178.3-169.6-1.4108.6T37 I38R31-T37 CarbonylContact O-C 3.55Å; R31-T37 WeakPolarHBondContact O-CA 3.45Å; R31-I38 PolarHBondContact N-O 3.01Å; R31-I38 PolarHBondContact O-N 2.97Å
32Q81.9Confident87.8Confident150 Ų15070.1 Ų70.170%0.70136%0.355SS*.EExtended strand (participates in β ladder)trans-80.6122.2168-169.4172.9-2.900108.5E34 E36Q32-E34 PolarHBondContact NE2-O 3.05Å; Q32-E36 WeakPolarHBondContact CA-O 3.48Å
33I77.1Confident87.8Confident86 Ų8670 Ų7044%0.44136%0.355SS..EExtended strand (participates in β ladder)trans-122.3111.7172.1-57.7-172.1000105.8D35 E36 I38I33-D35 PolarHBondContact O-N 3.26Å; I33-E36 PolarHBondContact N-O 3.23Å; I33-E36 PolarHBondContact O-N 3.29Å; I33-E36 VanDerWaalsContact O-O 3.1Å; I33-I38 HydrophobicContact CD1-CD1 3.41Å; I33-I38 VanDerWaalsContact CD1-CD1 3.41Å; I33-I38 HydrophobicContact CD1-CG1 3.82Å; I33-I38 HydrophobicContact CG1-CD1 4.27Å; I33-I38 HydrophobicContact CG1-CG1 4.14Å
34E80.6Confident87.8Confident174 Ų17475.8 Ų75.881%0.81337%0.369SS*.THydrogen-bonded Turntrans55.5-121-172.1-56.2177.9173.400110.9Q32Q32-E34 PolarHBondContact NE2-O 3.05Å
35D78.3Confident87.8Confident162 Ų16276.3 Ų76.387%0.86638%0.375SS*.THydrogen-bonded Turntrans-94.45.2179.7-67.3-29.4000113I33I33-D35 PolarHBondContact O-N 3.26Å
36E76.6Confident87.9Confident87 Ų8772 Ų7241%0.40735%0.348SS..EExtended strand (participates in β ladder)trans-117.9135.4-176.2-65.1-166.4176.500113.2Q32 I33 Y65 R77Q32-E36 WeakPolarHBondContact CA-O 3.48Å; I33-E36 PolarHBondContact N-O 3.23Å; I33-E36 PolarHBondContact O-N 3.29Å; I33-E36 VanDerWaalsContact O-O 3.1Å; E36-Y65 PolarHBondContact OE1-OH 3.33Å; E36-Y65 WeakPolarHBondContact OE2-CE2 3.24Å; E36-Y65 PolarHBondContact OE2-OH 3.06Å; E36-R77 IonicContact OE2-NH2 2.79Å; E36-R77 PolarHBondContact OE2-NH2 3.21Å
37T80.5Confident87.9Confident60 Ų6071.5 Ų71.537%0.36835%0.346SS..EExtended strand (participates in β ladder)trans-94115.2172.7-59.50000109.3Q30 R31 R77Q30-T37 HydrophobicContact CB-CG2 3.45Å; Q30-T37 VanDerWaalsContact CB-CG2 3.45Å; Q30-T37 HydrophobicContact CG-CG2 4.07Å; Q30-T37 VanDerWaalsContact OE1-CG2 3.3Å; R31-T37 CarbonylContact O-C 3.55Å; R31-T37 WeakPolarHBondContact O-CA 3.45Å; T37-R77 PolarHBondContact O-NH1 2.81Å
38I85.3Confident88Confident32 Ų3266.3 Ų66.316%0.16432%0.323CS..EExtended strand (participates in β ladder)trans-115.4146.517966.9159.1000112Q30 R31 I33 L40Q30-I38 CarbonylContact C-O 3.52Å; Q30-I38 WeakPolarHBondContact CA-O 3.43Å; R31-I38 PolarHBondContact N-O 3.01Å; R31-I38 PolarHBondContact O-N 2.97Å; I33-I38 HydrophobicContact CD1-CD1 3.41Å; I33-I38 VanDerWaalsContact CD1-CD1 3.41Å; I33-I38 HydrophobicContact CD1-CG1 3.82Å; I33-I38 HydrophobicContact CG1-CD1 4.27Å; I33-I38 HydrophobicContact CG1-CG1 4.14Å; I38-L40 HydrophobicContact CD1-CB 4.36Å
39L88.9Confident88Confident0 Ų067 Ų670%033%0.328CS..EExtended strand (participates in β ladder)trans-78122.9167.8-163.8147.1000109.6V28 N41 L61 T62 D63 V144V28-L39 HydrophobicContact CG1-CD1 3.65Å; V28-L39 HydrophobicContact CG1-CG 4.38Å; L39-N41 WeakPolarHBondContact CD2-ND2 3.48Å; L39-L61 HydrophobicContact CD2-CB 4.1Å; L39-L61 HydrophobicContact CD2-CD2 3.88Å; L39-L61 HydrophobicContact CD2-CG 3.63Å; L39-L61 WeakPolarHBondContact CD2-O 3.36Å; L39-T62 CarbonylContact O-C 3.6Å; L39-T62 VanDerWaalsContact O-CA 3.24Å; L39-T62 WeakPolarHBondContact O-CA 3.39Å; L39-D63 HydrophobicContact CB-CB 4.37Å; L39-D63 VanDerWaalsContact CB-CG 3.47Å; L39-D63 VanDerWaalsContact CB-OD2 3.3Å; L39-D63 WeakPolarHBondContact CB-OD2 3.35Å; L39-D63 PolarHBondContact N-OD2 2.91Å; L39-D63 PolarHBondContact O-N 3.37Å; L39-V144 HydrophobicContact CD1-CG1 3.39Å
40L90.6Very high88.1Confident33 Ų3367.9 Ų67.917%0.17333%0.325CS..EExtended strand (participates in β ladder)trans-150.5100.4175.3-178.962.8000110.5I38 R60 L61I38-L40 HydrophobicContact CD1-CB 4.36Å; L40-R60 HydrophobicContact CD1-CG 4.21Å; L40-R60 VanDerWaalsContact CD1-NE 3.31Å; L40-L61 WeakPolarHBondContact CA-O 3.49Å
41N94.2Very high88.1Confident18 Ų1868.5 Ų68.510%0.09633%0.327CS..EExtended strand (participates in β ladder)trans-125.3131.2179.3-62.3-88.2000109.1W24 L26 K27 C29 L39 R60 L61W24-N41 HydrophobicContact CH2-CB 4.33Å; W24-N41 HydrophobicContact CZ2-CB 4.38Å; L26-N41 HydrophobicContact CD1-CB 3.96Å; K27-N41 PolarHBondContact O-OD1 3.1Å; C29-N41 PolarHBondContact N-OD1 2.94Å; C29-N41 VanDerWaalsContact N-OD1 3.1Å; C29-N41 PolarHBondContact O-ND2 3.37Å; L39-N41 WeakPolarHBondContact CD2-ND2 3.48Å; N41-R60 CarbonylContact O-C 3.51Å; N41-R60 WeakPolarHBondContact O-CA 3.49Å; N41-L61 HydrophobicContact CB-CB 4.36Å; N41-L61 PolarHBondContact N-O 2.9Å; N41-L61 PolarHBondContact O-N 3.09Å
42V94.3Very high88.3Confident90 Ų9061.9 Ų61.955%0.54530%0.302SS..EExtended strand (participates in β ladder)trans-124.3132.5-177.9-179.40000108.7L59 R60V42-L59 CarbonylContact C-O 3.59Å; V42-L59 WeakPolarHBondContact CA-O 3.39Å; V42-R60 HydrophobicContact CG2-CB 4.39Å; V42-R60 HydrophobicContact CG2-CG 4.16Å
43S95.6Very high88.7Confident7 Ų754.8 Ų54.85%0.04927%0.269CS..PPolyproline II helixtrans-70.3158.7176.682.10000110.8W24 L59W24-S43 VanDerWaalsContact CE2-CB 3.48Å; S43-L59 PolarHBondContact N-O 2.96Å; S43-L59 PolarHBondContact OG-N 3.34Å
44R93.7Very high89.5Confident187 Ų18751.5 Ų51.571%0.70625%0.252SS*.PPolyproline II helixtrans-64.2148.3160.4-68.2-178179164.9-0.8108.7
45P95.1Very high90.1Very high34 Ų3443.2 Ų43.222%0.22121%0.213CC..PPolyproline II helixtrans-58.3144.4173.2-24.534.3000112.1T56 W57 K86 R382 R385P45-T56 HydrophobicContact CB-CG2 3.83Å; P45-W57 VanDerWaalsContact CA-O 3.23Å; P45-W57 WeakPolarHBondContact CA-O 3.33Å; P45-K86 HydrophobicContact CB-CD 4.23Å; P45-K86 HydrophobicContact CG-CD 4.03Å; P45-R382 HydrophobicContact CB-CG 4.41Å; P45-R385 PolarHBondContact O-NH1 3.13Å
46F95.6Very high91Very high1 Ų136 Ų360%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-134.5158.417563-84.6000109.1H22 T56 W57 L59 L83 I158 R385 V386H22-F46 HydrophobicContact CB-CD2 3.85Å; H22-F46 HydrophobicContact CB-CE2 3.8Å; H22-F46 HydrophobicContact CB-CG 4.35Å; H22-F46 HydrophobicContact CB-CZ 4.29Å; H22-F46 AromaticContact CD2-CD1 3.35Å; H22-F46 WeakPolarHBondContact CD2-CD1 3.39Å; H22-F46 AromaticContact CD2-CD2 3.91Å; H22-F46 AromaticContact CD2-CE1 3.45Å; H22-F46 VanDerWaalsContact CD2-CE1 3.45Å; H22-F46 WeakPolarHBondContact CD2-CE1 3.42Å; H22-F46 AromaticContact CD2-CE2 3.97Å; H22-F46 AromaticContact CD2-CG 3.59Å; H22-F46 AromaticContact CD2-CZ 3.75Å; H22-F46 AromaticContact CE1-CG 3.98Å; H22-F46 AromaticContact CG-CD1 3.94Å; H22-F46 AromaticContact CG-CD2 3.68Å; H22-F46 AromaticContact CG-CE2 3.92Å; H22-F46 AromaticContact CG-CG 3.66Å; H22-F46 AromaticContact ND1-CG 3.9Å; H22-F46 AromaticContact NE2-CD1 3.46Å; H22-F46 WeakPolarHBondContact NE2-CD1 3.45Å; H22-F46 AromaticContact NE2-CE1 3.96Å; H22-F46 AromaticContact NE2-CG 3.79Å; F46-T56 WeakPolarHBondContact O-CA 3.4Å; F46-W57 HydrophobicContact CD1-CB 4.32Å; F46-W57 HydrophobicContact CD2-CB 4.16Å; F46-W57 HydrophobicContact CE1-CB 3.79Å; F46-W57 HydrophobicContact CE2-CB 3.65Å; F46-W57 HydrophobicContact CE2-CG 4.1Å; F46-W57 HydrophobicContact CG-CB 4.49Å; F46-W57 HydrophobicContact CZ-CB 3.44Å; F46-W57 VanDerWaalsContact CZ-CB 3.44Å; F46-W57 HydrophobicContact CZ-CG 4.27Å; F46-W57 PolarHBondContact N-O 3.18Å; F46-W57 PolarHBondContact O-N 3.4Å; F46-L59 HydrophobicContact CE1-CD1 4.36Å; F46-L59 HydrophobicContact CE1-CG 3.99Å; F46-L59 HydrophobicContact CZ-CG 4.36Å; F46-L83 HydrophobicContact CZ-CD1 3.96Å; F46-I158 HydrophobicContact CE2-CD1 3.75Å; F46-I158 HydrophobicContact CZ-CD1 4.08Å; F46-R385 HydrophobicContact CB-CB 4.08Å; F46-V386 HydrophobicContact CB-CG2 3.96Å; F46-V386 HydrophobicContact CD2-CG2 3.62Å; F46-V386 HydrophobicContact CG-CG2 4.25Å
47S94.6Very high92Very high0 Ų031.8 Ų31.80%016%0.155CC..EExtended strand (participates in β ladder)trans-127.7128.1-174.4-61.90000111.9F55 T56 R382 V386S47-F55 CarbonylContact C-O 3.58Å; S47-F55 WeakPolarHBondContact CA-O 3.27Å; S47-T56 PolarHBondContact OG-OG1 3.17Å; S47-T56 VanDerWaalsContact OG-OG1 3.1Å; S47-R382 PolarHBondContact N-O 3.44Å; S47-R382 WeakPolarHBondContact OG-CB 3.5Å; S47-R382 WeakPolarHBondContact OG-CD 3.16Å; S47-V386 WeakPolarHBondContact O-CB 3.31Å; S47-V386 WeakPolarHBondContact O-CG2 3.5Å
48T94.3Very high92.8Very high0 Ų029.3 Ų29.30%014%0.14CC..EExtended strand (participates in β ladder)trans-79.3128.4163.855.80000107.4F20 Q54 F55 W57 I158 V386F20-T48 HydrophobicContact CB-CG2 3.52Å; F20-T48 HydrophobicContact CD1-CG2 3.85Å; F20-T48 HydrophobicContact CD2-CG2 3.79Å; F20-T48 HydrophobicContact CE1-CG2 4.49Å; F20-T48 HydrophobicContact CE2-CG2 4.46Å; F20-T48 HydrophobicContact CG-CG2 3.44Å; F20-T48 VanDerWaalsContact CG-CG2 3.44Å; T48-Q54 VanDerWaalsContact O-CA 3.3Å; T48-Q54 WeakPolarHBondContact O-CA 3.42Å; T48-F55 PolarHBondContact N-O 3.47Å; T48-F55 PolarHBondContact O-N 2.83Å; T48-W57 PolarHBondContact OG1-NE1 3.5Å; T48-I158 HydrophobicContact CG2-CD1 4.36Å; T48-V386 HydrophobicContact CG2-CG1 4.45Å
49S91.8Very high93.3Very high15 Ų1527.8 Ų27.811%0.10513%0.133CC..EExtended strand (participates in β ladder)trans-136.3125.9-175.3-172.50000109.6F20 V53 Q54F20-S49 WeakPolarHBondContact CE1-O 3.49Å; S49-V53 WeakPolarHBondContact CA-O 3.47Å; S49-Q54 WeakPolarHBondContact OG-CG 3.33Å
50Y90.6Very high93.7Very high66 Ų6631.3 Ų31.326%0.25915%0.146SC..EExtended strand (participates in β ladder)trans-151.3142.1172.8-177.4-102.1000109I18 H52 V53 E162 F165 L388I18-Y50 HydrophobicContact CD1-CD1 3.14Å; I18-Y50 HydrophobicContact CD1-CD2 3.96Å; I18-Y50 HydrophobicContact CD1-CE1 3.32Å; I18-Y50 HydrophobicContact CD1-CE2 4.12Å; I18-Y50 HydrophobicContact CD1-CG 3.48Å; I18-Y50 VanDerWaalsContact CD1-CG 3.48Å; Y50-H52 PolarHBondContact O-N 3.32Å; Y50-V53 PolarHBondContact N-O 2.9Å; Y50-V53 VanDerWaalsContact N-O 3.11Å; Y50-V53 PolarHBondContact O-N 2.73Å; Y50-E162 HydrophobicContact CE1-CG 3.97Å; Y50-E162 PolarHBondContact OH-OE1 2.86Å; Y50-F165 HydrophobicContact CD1-CB 3.68Å; Y50-F165 HydrophobicContact CD1-CD2 4.37Å; Y50-F165 HydrophobicContact CD1-CG 4.02Å; Y50-F165 HydrophobicContact CG-CB 4.41Å; Y50-F165 HydrophobicContact CG-CG 4.39Å; Y50-F165 WeakPolarHBondContact O-CB 3.45Å; Y50-F165 WeakPolarHBondContact O-CD1 3.32Å; Y50-L388 HydrophobicContact CD2-CD1 4.44Å
51K87.8Confident93.9Very high88 Ų8829.9 Ų29.938%0.38314%0.138SC..THydrogen-bonded Turntrans44.541.6-175.3-71.2175.4179.8171.90113V53 E162 F165K51-V53 PolarHBondContact O-N 2.98Å; K51-V53 VanDerWaalsContact O-N 3.09Å; K51-E162 WeakPolarHBondContact CE-OE1 3.48Å; K51-E162 IonicContact NZ-OE1 3.92Å; K51-E162 PolarHBondContact NZ-OE1 3.24Å; K51-F165 WeakPolarHBondContact CB-O 3.43Å
52H86.6Confident93.7Very high10 Ų1029.1 Ų29.15%0.04613%0.134CC..THydrogen-bonded Turntrans66.3-2.2-178.9-48.1-54.1000117.1Y50 Q300 V326 F330 D333Y50-H52 PolarHBondContact O-N 3.32Å; H52-Q300 PolarHBondContact CD2-OE1 2.54Å; H52-Q300 PolarHBondContact NE2-NE2 2.97Å; H52-Q300 PolarHBondContact NE2-OE1 3.02Å; H52-Q300 VanDerWaalsContact NE2-OE1 3.16Å; H52-V326 HydrophobicContact CB-CG1 4.38Å; H52-V326 WeakPolarHBondContact CB-O 3.36Å; H52-F330 WeakPolarHBondContact ND1-CA 3.48Å; H52-F330 PolarHBondContact ND1-N 3.49Å; H52-F330 VanDerWaalsContact ND1-N 3.11Å; H52-D333 IonicContact CE1-OD2 3.85Å; H52-D333 PolarHBondContact CE1-OD2 2.54Å; H52-D333 VanDerWaalsContact CE1-OD2 3.27Å; H52-D333 IonicContact ND1-OD2 3.69Å; H52-D333 PolarHBondContact ND1-OD2 2.98Å
53V91.6Very high93.5Very high0 Ų025.5 Ų25.50%011%0.112CC..EExtended strand (participates in β ladder)trans-89.7139.7173.9179.70000109.6S49 Y50 K51 F55 P89 L164 F165 P167 Y170 M325S49-V53 WeakPolarHBondContact CA-O 3.47Å; Y50-V53 PolarHBondContact N-O 2.9Å; Y50-V53 VanDerWaalsContact N-O 3.11Å; Y50-V53 PolarHBondContact O-N 2.73Å; K51-V53 PolarHBondContact O-N 2.98Å; K51-V53 VanDerWaalsContact O-N 3.09Å; V53-F55 HydrophobicContact CG1-CE2 3.99Å; V53-F55 HydrophobicContact CG1-CZ 4.48Å; V53-P89 HydrophobicContact CG1-CG 3.94Å; V53-L164 WeakPolarHBondContact CG1-O 3.41Å; V53-F165 HydrophobicContact CB-CB 4.22Å; V53-F165 HydrophobicContact CB-CD1 3.98Å; V53-F165 HydrophobicContact CG1-CD1 4.24Å; V53-F165 WeakPolarHBondContact CG2-O 3.36Å; V53-F165 WeakPolarHBondContact O-CD1 3.37Å; V53-P167 HydrophobicContact CG2-CB 4.27Å; V53-P167 HydrophobicContact CG2-CG 3.65Å; V53-Y170 HydrophobicContact CG1-CE2 3.86Å; V53-Y170 HydrophobicContact CG2-CE2 4.48Å; V53-M325 HydrophobicContact CB-CE 4.38Å; V53-M325 HydrophobicContact CB-SD 4.38Å; V53-M325 HydrophobicContact CG1-CE 4.1Å; V53-M325 HydrophobicContact CG1-SD 3.91Å; V53-M325 HydrophobicContact CG2-CE 3.91Å
54Q92.2Very high92.8Very high18 Ų1828.8 Ų28.88%0.08413%0.127CC..EExtended strand (participates in β ladder)trans-135.9138.9-169.2-69.1155.4-1.600113.3T48 S49 P89 L379T48-Q54 VanDerWaalsContact O-CA 3.3Å; T48-Q54 WeakPolarHBondContact O-CA 3.42Å; S49-Q54 WeakPolarHBondContact OG-CG 3.33Å; Q54-P89 VanDerWaalsContact O-CD 3.27Å; Q54-P89 WeakPolarHBondContact O-CD 3.49Å; Q54-L379 HydrophobicContact CB-CD1 4.47Å; Q54-L379 VanDerWaalsContact CD-CD1 3.41Å; Q54-L379 HydrophobicContact CG-CD1 4.2Å
55F94.6Very high91.6Very high0 Ų024.8 Ų24.80%011%0.112CC..EExtended strand (participates in β ladder)trans-122.6132.2170.2-58.7-99.8000109.1S47 T48 V53 W57 Y85 P89 V93 M160 L164 F165 Y170S47-F55 CarbonylContact C-O 3.58Å; S47-F55 WeakPolarHBondContact CA-O 3.27Å; T48-F55 PolarHBondContact N-O 3.47Å; T48-F55 PolarHBondContact O-N 2.83Å; V53-F55 HydrophobicContact CG1-CE2 3.99Å; V53-F55 HydrophobicContact CG1-CZ 4.48Å; F55-W57 HydrophobicContact CB-CZ2 3.78Å; F55-W57 HydrophobicContact CG-CZ2 4.34Å; F55-W57 VanDerWaalsContact O-CD1 3.3Å; F55-W57 PolarHBondContact O-NE1 2.96Å; F55-Y85 HydrophobicContact CB-CE2 4.36Å; F55-Y85 AromaticContact CD1-CE2 3.83Å; F55-Y85 HydrophobicContact CD1-CE2 3.83Å; F55-P89 HydrophobicContact CE1-CG 3.86Å; F55-P89 HydrophobicContact CE2-CG 4.45Å; F55-P89 HydrophobicContact CZ-CG 3.8Å; F55-V93 HydrophobicContact CD1-CB 4.41Å; F55-V93 HydrophobicContact CD1-CG1 4.49Å; F55-V93 HydrophobicContact CD1-CG2 4.09Å; F55-V93 HydrophobicContact CE1-CB 4.06Å; F55-V93 HydrophobicContact CE1-CG2 3.63Å; F55-V93 HydrophobicContact CZ-CG2 4.21Å; F55-M160 HydrophobicContact CD1-CE 4.18Å; F55-M160 HydrophobicContact CD2-CE 3.7Å; F55-M160 HydrophobicContact CD2-SD 4.48Å; F55-M160 HydrophobicContact CE1-CE 4.27Å; F55-M160 HydrophobicContact CE2-CE 3.81Å; F55-M160 HydrophobicContact CG-CE 3.89Å; F55-M160 HydrophobicContact CZ-CE 4.09Å; F55-L164 HydrophobicContact CE2-CB 4.25Å; F55-L164 WeakPolarHBondContact CE2-O 3.18Å; F55-L164 HydrophobicContact CZ-CB 4.05Å; F55-L164 WeakPolarHBondContact CZ-O 3.4Å; F55-F165 AromaticContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CZ 4.04Å; F55-F165 HydrophobicContact CE2-CD1 4.17Å; F55-F165 AromaticContact CE2-CE1 3.8Å; F55-F165 HydrophobicContact CE2-CE1 3.8Å; F55-F165 HydrophobicContact CE2-CZ 4.04Å; F55-Y170 WeakPolarHBondContact CZ-OH 3.41Å
56T95.7Very high89.8Confident9 Ų927 Ų276%0.05513%0.125CC..EExtended strand (participates in β ladder)trans-101.7131.2178.9-60.20000110.5P45 F46 S47 K86 E87 R382P45-T56 HydrophobicContact CB-CG2 3.83Å; F46-T56 WeakPolarHBondContact O-CA 3.4Å; S47-T56 PolarHBondContact OG-OG1 3.17Å; S47-T56 VanDerWaalsContact OG-OG1 3.1Å; T56-K86 HydrophobicContact CG2-CB 4.12Å; T56-K86 HydrophobicContact CG2-CD 4.5Å; T56-K86 PolarHBondContact O-N 3.21Å; T56-E87 PolarHBondContact N-O 3.37Å; T56-E87 PolarHBondContact O-N 2.88Å; T56-R382 PolarHBondContact OG1-NH1 3.03Å
57W97.6Very high87.5Confident0 Ų034.7 Ų34.70%017%0.165CC..EExtended strand (participates in β ladder)trans-125.6163.8-175.4-51.792.6000111.5P45 F46 T48 F55 L83 Y84 Y85 V93 V95 F122 I158 M160P45-W57 VanDerWaalsContact CA-O 3.23Å; P45-W57 WeakPolarHBondContact CA-O 3.33Å; F46-W57 HydrophobicContact CD1-CB 4.32Å; F46-W57 HydrophobicContact CD2-CB 4.16Å; F46-W57 HydrophobicContact CE1-CB 3.79Å; F46-W57 HydrophobicContact CE2-CB 3.65Å; F46-W57 HydrophobicContact CE2-CG 4.1Å; F46-W57 HydrophobicContact CG-CB 4.49Å; F46-W57 HydrophobicContact CZ-CB 3.44Å; F46-W57 VanDerWaalsContact CZ-CB 3.44Å; F46-W57 HydrophobicContact CZ-CG 4.27Å; F46-W57 PolarHBondContact N-O 3.18Å; F46-W57 PolarHBondContact O-N 3.4Å; T48-W57 PolarHBondContact OG1-NE1 3.5Å; F55-W57 HydrophobicContact CB-CZ2 3.78Å; F55-W57 HydrophobicContact CG-CZ2 4.34Å; F55-W57 VanDerWaalsContact O-CD1 3.3Å; F55-W57 PolarHBondContact O-NE1 2.96Å; W57-L83 HydrophobicContact CB-CD1 4.05Å; W57-L83 HydrophobicContact CE3-CD1 4.18Å; W57-L83 HydrophobicContact CE3-CD2 3.99Å; W57-L83 HydrophobicContact CE3-CG 3.96Å; W57-L83 HydrophobicContact CZ3-CD2 4.22Å; W57-Y84 CarbonylContact C-O 3.58Å; W57-Y84 WeakPolarHBondContact CA-O 3.35Å; W57-Y85 HydrophobicContact CE3-CD2 4.35Å; W57-Y85 HydrophobicContact CH2-CD2 4.17Å; W57-Y85 HydrophobicContact CH2-CG 4.44Å; W57-Y85 HydrophobicContact CZ2-CD2 4.48Å; W57-Y85 HydrophobicContact CZ3-CD2 4.12Å; W57-Y85 HydrophobicContact CZ3-CG 4.18Å; W57-V93 HydrophobicContact CH2-CG1 3.85Å; W57-V95 HydrophobicContact CH2-CG2 3.56Å; W57-V95 HydrophobicContact CZ2-CG2 4.31Å; W57-V95 HydrophobicContact CZ3-CG2 4.22Å; W57-F122 HydrophobicContact CZ3-CD1 4.12Å; W57-F122 HydrophobicContact CZ3-CD2 4.47Å; W57-F122 HydrophobicContact CZ3-CE1 4.42Å; W57-F122 HydrophobicContact CZ3-CG 4.15Å; W57-I158 HydrophobicContact CD2-CD1 4.32Å; W57-I158 HydrophobicContact CG-CD1 4.19Å; W57-M160 HydrophobicContact CZ2-CE 3.9Å; W57-M160 HydrophobicContact CZ2-SD 3.87Å
58A97.5Very high85.1Confident7 Ų737.6 Ų37.66%0.05819%0.186CC..EExtended strand (participates in β ladder)trans-145.3154164.600000110.9Y84 K86A58-Y84 PolarHBondContact N-O 3.46Å; A58-Y84 PolarHBondContact O-N 3.36Å; A58-K86 HydrophobicContact CB-CD 3.86Å; A58-K86 HydrophobicContact CB-CG 4.21Å
59L97.4Very high82.8Confident0 Ų045.7 Ų45.70%023%0.229CC..EExtended strand (participates in β ladder)trans-104.6146.6173.6-62.9166.1000110.1W24 V42 S43 F46 L81 H82 L83 V156W24-L59 HydrophobicContact CB-CD1 4.15Å; W24-L59 HydrophobicContact CD2-CB 4.42Å; W24-L59 HydrophobicContact CD2-CD1 4.28Å; W24-L59 HydrophobicContact CE3-CB 3.63Å; W24-L59 HydrophobicContact CE3-CD1 3.64Å; W24-L59 HydrophobicContact CE3-CG 4.29Å; W24-L59 HydrophobicContact CH2-CB 4.41Å; W24-L59 HydrophobicContact CZ3-CB 3.61Å; W24-L59 HydrophobicContact CZ3-CD1 4.42Å; V42-L59 CarbonylContact C-O 3.59Å; V42-L59 WeakPolarHBondContact CA-O 3.39Å; S43-L59 PolarHBondContact N-O 2.96Å; S43-L59 PolarHBondContact OG-N 3.34Å; F46-L59 HydrophobicContact CE1-CD1 4.36Å; F46-L59 HydrophobicContact CE1-CG 3.99Å; F46-L59 HydrophobicContact CZ-CG 4.36Å; L59-L81 HydrophobicContact CB-CD1 4.32Å; L59-L81 HydrophobicContact CD2-CD1 4.46Å; L59-H82 CarbonylContact C-O 3.54Å; L59-H82 VanDerWaalsContact CA-O 3.25Å; L59-H82 WeakPolarHBondContact CA-O 3.5Å; L59-L83 HydrophobicContact CD2-CB 4.35Å; L59-L83 HydrophobicContact CD2-CD1 3.74Å; L59-V156 HydrophobicContact CD1-CB 4.37Å; L59-V156 HydrophobicContact CD1-CG2 3.49Å; L59-V156 VanDerWaalsContact CD1-CG2 3.49Å; L59-V156 HydrophobicContact CD2-CG2 3.85Å; L59-V156 HydrophobicContact CG-CG2 4.32Å
60R95.6Very high80.7Confident74 Ų7450.7 Ų50.728%0.27925%0.254SS..EExtended strand (participates in β ladder)trans-134.7124.2172.8174.4-175.9172.8-168-5.3110L40 N41 V42 T62 L81 H82 Y84L40-R60 HydrophobicContact CD1-CG 4.21Å; L40-R60 VanDerWaalsContact CD1-NE 3.31Å; N41-R60 CarbonylContact O-C 3.51Å; N41-R60 WeakPolarHBondContact O-CA 3.49Å; V42-R60 HydrophobicContact CG2-CB 4.39Å; V42-R60 HydrophobicContact CG2-CG 4.16Å; R60-T62 PolarHBondContact NH2-OG1 3.19Å; R60-T62 VanDerWaalsContact NH2-OG1 3.13Å; R60-L81 CarbonylContact O-C 3.58Å; R60-L81 WeakPolarHBondContact O-CA 3.49Å; R60-H82 HydrophobicContact CB-CB 4.28Å; R60-H82 PolarHBondContact N-O 3.1Å; R60-H82 PolarHBondContact O-N 2.71Å; R60-Y84 HydrophobicContact CB-CD2 4.15Å; R60-Y84 HydrophobicContact CB-CE2 3.71Å; R60-Y84 HydrophobicContact CG-CE2 4.42Å; R60-Y84 PolarHBondContact NH1-OH 3.27Å
61L94.8Very high78.4Confident3 Ų353.1 Ų53.12%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-101.7120.6169.7-168.471.1000107.8W24 L26 L39 L40 N41 V79 L80 L81 F140 V144W24-L61 HydrophobicContact CH2-CB 4.17Å; W24-L61 HydrophobicContact CZ3-CB 4.4Å; L26-L61 HydrophobicContact CD1-CD2 3.95Å; L39-L61 HydrophobicContact CD2-CB 4.1Å; L39-L61 HydrophobicContact CD2-CD2 3.88Å; L39-L61 HydrophobicContact CD2-CG 3.63Å; L39-L61 WeakPolarHBondContact CD2-O 3.36Å; L40-L61 WeakPolarHBondContact CA-O 3.49Å; N41-L61 HydrophobicContact CB-CB 4.36Å; N41-L61 PolarHBondContact N-O 2.9Å; N41-L61 PolarHBondContact O-N 3.09Å; L61-V79 HydrophobicContact CD1-CG1 3.54Å; L61-V79 HydrophobicContact CG-CG1 3.9Å; L61-L80 WeakPolarHBondContact CA-O 3.27Å; L61-L81 HydrophobicContact CD1-CB 4.14Å; L61-L81 HydrophobicContact CD1-CD1 4.32Å; L61-F140 HydrophobicContact CD1-CE1 4.35Å; L61-F140 HydrophobicContact CD1-CZ 3.98Å; L61-V144 HydrophobicContact CD2-CG1 3.93Å
62T91.9Very high76.2Confident2 Ų253.5 Ų53.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-142.9149-172.4-166.70000112L39 R60 E64 V79 L80L39-T62 CarbonylContact O-C 3.6Å; L39-T62 VanDerWaalsContact O-CA 3.24Å; L39-T62 WeakPolarHBondContact O-CA 3.39Å; R60-T62 PolarHBondContact NH2-OG1 3.19Å; R60-T62 VanDerWaalsContact NH2-OG1 3.13Å; T62-E64 HydrophobicContact CG2-CG 3.97Å; T62-V79 CarbonylContact O-C 3.57Å; T62-V79 WeakPolarHBondContact O-CA 3.3Å; T62-L80 HydrophobicContact CG2-CB 4.5Å; T62-L80 PolarHBondContact N-O 3.25Å; T62-L80 PolarHBondContact O-N 3.03Å
63D88.2Confident74.2Confident14 Ų1457 Ų578%0.07533%0.329CS..EExtended strand (participates in β ladder)trans-77.3132.7161.2-73.1-24.9000109.1L39 V79 H145L39-D63 HydrophobicContact CB-CB 4.37Å; L39-D63 VanDerWaalsContact CB-CG 3.47Å; L39-D63 VanDerWaalsContact CB-OD2 3.3Å; L39-D63 WeakPolarHBondContact CB-OD2 3.35Å; L39-D63 PolarHBondContact N-OD2 2.91Å; L39-D63 PolarHBondContact O-N 3.37Å; D63-V79 VanDerWaalsContact OD1-CG2 3.26Å; D63-V79 WeakPolarHBondContact OD1-CG2 3.23Å; D63-H145 IonicContact OD1-CE1 3.99Å; D63-H145 IonicContact OD1-NE2 3.61Å; D63-H145 IonicContact OD2-CE1 2.71Å
64E81.3Confident71.9Confident76 Ų7663.8 Ų63.836%0.35537%0.366SS..EExtended strand (participates in β ladder)trans-119.8138.7167.4-66-159.9172.200111.3T62 R77 H78 L80 H82T62-E64 HydrophobicContact CG2-CG 3.97Å; E64-R77 WeakPolarHBondContact O-CA 3.06Å; E64-H78 PolarHBondContact N-O 3.42Å; E64-H78 PolarHBondContact O-N 3.5Å; E64-L80 HydrophobicContact CB-CD1 4.12Å; E64-L80 VanDerWaalsContact CD-CD1 3.42Å; E64-L80 HydrophobicContact CG-CD1 3.83Å; E64-L80 HydrophobicContact CG-CG 4.41Å; E64-L80 WeakPolarHBondContact OE2-CD1 3.39Å; E64-H82 IonicContact OE1-CE1 3.2Å; E64-H82 PolarHBondContact OE1-CE1 3.09Å; E64-H82 IonicContact OE1-NE2 3.73Å; E64-H82 PolarHBondContact OE1-NE2 3.3Å
65Y68.6Low70Confident104 Ų10466.5 Ų66.541%0.40839%0.387SS..EExtended strand (participates in β ladder)trans-82.5119.5172.8-82.6-81.5000110.3E36 R77E36-Y65 PolarHBondContact OE1-OH 3.33Å; E36-Y65 WeakPolarHBondContact OE2-CE2 3.24Å; E36-Y65 PolarHBondContact OE2-OH 3.06Å; Y65-R77 HydrophobicContact CD1-CG 3.89Å; Y65-R77 HydrophobicContact CE1-CG 3.74Å; Y65-R77 HydrophobicContact CG-CG 4.38Å; Y65-R77 VanDerWaalsContact OH-CZ 3.25Å; Y65-R77 PolarHBondContact OH-NE 3.39Å; Y65-R77 PolarHBondContact OH-NH2 2.82Å
66V57.2Low68.5Low80 Ų8070.6 Ų70.649%0.48541%0.409SS..  trans-91108.5164.3-177.80000108S68 H78V66-S68 PolarHBondContact O-N 2.8Å; V66-H78 VanDerWaalsContact CG2-CD2 3.49Å; V66-H78 WeakPolarHBondContact CG2-CD2 3.31Å
67L47.3Very low67.4Low163 Ų16372.8 Ų72.885%0.85342%0.416SS*.  trans-61.8104.1167.8-73.2168.5000108.1
68S45.7Very low66.9Low61 Ų6174.6 Ų74.643%0.42742%0.424SS..  trans-82128170.494.30000108.4V66 N70V66-S68 PolarHBondContact O-N 2.8Å; S68-N70 PolarHBondContact O-N 2.83Å; S68-N70 PolarHBondContact OG-O 3.34Å
69N46Very low66.6Low170 Ų17074.4 Ų74.491%0.90942%0.422SS*.SBendtrans-676.4177.6-82.6-7.8000114
70N46.8Very low66.4Low119 Ų11975.9 Ų75.964%0.63643%0.43SS*.SBendtrans-107.6112.5178.4-72.1-16.5000109.2S68 A72S68-N70 PolarHBondContact O-N 2.83Å; S68-N70 PolarHBondContact OG-O 3.34Å; N70-A72 PolarHBondContact O-N 3.31Å
71A42.3Very low66.4Low117 Ų11772.4 Ų72.497%0.96742%0.417SS*.THydrogen-bonded Turntrans-67.925.4-17300000115.9
72A42.5Very low66.5Low96 Ų9672.6 Ų72.679%0.79342%0.418SS*.THydrogen-bonded Turntrans-146.420.4-172.400000114.9N70N70-A72 PolarHBondContact O-N 3.31Å
73V43.7Very low66.8Low83 Ų8372.6 Ų72.650%0.50342%0.418SS..SBendtrans-125.7129.4175.9-170.60000108.5
74D44.1Very low67.2Low144 Ų14474.6 Ų74.677%0.7743%0.425SS*.  trans-39.4140.9170.4-74-40000110.4N76D74-N76 PolarHBondContact O-N 2.7Å
75S50.8Low67.9Low74 Ų7471 Ų7152%0.51741%0.408SS..  trans-49.499.8173.748.90000110.8R77S75-R77 PolarHBondContact O-N 2.87Å
76N63.4Low69.2Low87 Ų8771 Ų7147%0.46541%0.41SS..  trans-76.780.2176.9-80.3-22.1000108.3D74D74-N76 PolarHBondContact O-N 2.7Å
77R73.6Confident70.9Confident54 Ų5472.2 Ų72.220%0.20441%0.41CS..EExtended strand (participates in β ladder)trans-62.7134.5168.8-66.9-177.1179.5-175.9-0.6108.4E36 T37 E64 Y65 S75E36-R77 IonicContact OE2-NH2 2.79Å; E36-R77 PolarHBondContact OE2-NH2 3.21Å; T37-R77 PolarHBondContact O-NH1 2.81Å; E64-R77 WeakPolarHBondContact O-CA 3.06Å; Y65-R77 HydrophobicContact CD1-CG 3.89Å; Y65-R77 HydrophobicContact CE1-CG 3.74Å; Y65-R77 HydrophobicContact CG-CG 4.38Å; Y65-R77 VanDerWaalsContact OH-CZ 3.25Å; Y65-R77 PolarHBondContact OH-NE 3.39Å; Y65-R77 PolarHBondContact OH-NH2 2.82Å; S75-R77 PolarHBondContact O-N 2.87Å
78H87.3Confident72.9Confident39 Ų3965 Ų6518%0.18138%0.376CS..EExtended strand (participates in β ladder)trans-120.5133.1175.9-64.5-40.5000109.5E64 V66E64-H78 PolarHBondContact N-O 3.42Å; E64-H78 PolarHBondContact O-N 3.5Å; V66-H78 VanDerWaalsContact CG2-CD2 3.49Å; V66-H78 WeakPolarHBondContact CG2-CD2 3.31Å
79V90.9Very high75.1Confident2 Ų263.5 Ų63.51%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-78.1129172.9179.70000108.5L61 T62 D63 F140 T141 V144L61-V79 HydrophobicContact CD1-CG1 3.54Å; L61-V79 HydrophobicContact CG-CG1 3.9Å; T62-V79 CarbonylContact O-C 3.57Å; T62-V79 WeakPolarHBondContact O-CA 3.3Å; D63-V79 VanDerWaalsContact OD1-CG2 3.26Å; D63-V79 WeakPolarHBondContact OD1-CG2 3.23Å; V79-F140 HydrophobicContact CB-CD1 4.21Å; V79-F140 HydrophobicContact CB-CE1 4.06Å; V79-F140 HydrophobicContact CG1-CD1 4.35Å; V79-F140 HydrophobicContact CG1-CE1 3.71Å; V79-F140 HydrophobicContact CG1-CZ 4.35Å; V79-F140 WeakPolarHBondContact O-CD1 3.39Å; V79-F140 WeakPolarHBondContact O-CE1 3.5Å; V79-T141 HydrophobicContact CG2-CG2 4.11Å; V79-T141 PolarHBondContact N-OG1 3.3Å; V79-T141 VanDerWaalsContact N-OG1 3.16Å; V79-V144 HydrophobicContact CG1-CB 4.21Å; V79-V144 HydrophobicContact CG1-CG1 4.06Å; V79-V144 HydrophobicContact CG1-CG2 4.16Å; V79-V144 HydrophobicContact CG2-CB 4.22Å; V79-V144 HydrophobicContact CG2-CG1 4.26Å
80L93.1Very high77.2Confident32 Ų3256.3 Ų56.317%0.16833%0.327CS..EExtended strand (participates in β ladder)trans-121.3138.3175.4-61.5-176.3000110.8L61 T62 E64 H82 P129L61-L80 WeakPolarHBondContact CA-O 3.27Å; T62-L80 HydrophobicContact CG2-CB 4.5Å; T62-L80 PolarHBondContact N-O 3.25Å; T62-L80 PolarHBondContact O-N 3.03Å; E64-L80 HydrophobicContact CB-CD1 4.12Å; E64-L80 VanDerWaalsContact CD-CD1 3.42Å; E64-L80 HydrophobicContact CG-CD1 3.83Å; E64-L80 HydrophobicContact CG-CG 4.41Å; E64-L80 WeakPolarHBondContact OE2-CD1 3.39Å; L80-H82 VanDerWaalsContact CB-CE1 3.43Å; L80-H82 WeakPolarHBondContact CB-CE1 3.22Å; L80-P129 HydrophobicContact CD1-CB 4.27Å
81L95.6Very high79.3Confident0 Ų054.7 Ų54.70%032%0.323CS..EExtended strand (participates in β ladder)trans-99.6123.5167.5178.364.2000108.4W24 L59 R60 L61 A100 L115 I130 V154W24-L81 HydrophobicContact CZ3-CD1 3.99Å; L59-L81 HydrophobicContact CB-CD1 4.32Å; L59-L81 HydrophobicContact CD2-CD1 4.46Å; R60-L81 CarbonylContact O-C 3.58Å; R60-L81 WeakPolarHBondContact O-CA 3.49Å; L61-L81 HydrophobicContact CD1-CB 4.14Å; L61-L81 HydrophobicContact CD1-CD1 4.32Å; L81-A100 HydrophobicContact CD2-CB 3.82Å; L81-L115 HydrophobicContact CD2-CD1 4.45Å; L81-I130 HydrophobicContact CD2-CD1 3.92Å; L81-I130 HydrophobicContact CG-CD1 4Å; L81-I130 PolarHBondContact O-N 3.43Å; L81-V154 HydrophobicContact CD2-CG1 3.79Å
82H96.2Very high81.8Confident8 Ų854.5 Ų54.54%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-113145.5179.8-65.280.7000110.9L59 R60 E64 L80 Y84 W128L59-H82 CarbonylContact C-O 3.54Å; L59-H82 VanDerWaalsContact CA-O 3.25Å; L59-H82 WeakPolarHBondContact CA-O 3.5Å; R60-H82 HydrophobicContact CB-CB 4.28Å; R60-H82 PolarHBondContact N-O 3.1Å; R60-H82 PolarHBondContact O-N 2.71Å; E64-H82 IonicContact OE1-CE1 3.2Å; E64-H82 PolarHBondContact OE1-CE1 3.09Å; E64-H82 IonicContact OE1-NE2 3.73Å; E64-H82 PolarHBondContact OE1-NE2 3.3Å; L80-H82 VanDerWaalsContact CB-CE1 3.43Å; L80-H82 WeakPolarHBondContact CB-CE1 3.22Å; H82-Y84 HydrophobicContact CB-CD2 4Å; H82-Y84 HydrophobicContact CB-CE2 3.49Å; H82-Y84 VanDerWaalsContact CB-CE2 3.49Å; H82-W128 VanDerWaalsContact CA-O 3.3Å; H82-W128 WeakPolarHBondContact CA-O 3.2Å
83L97.6Very high84.3Confident1 Ų150 Ų501%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-102.7135.2163.1-177.767.5000108.5F46 W57 L59 V98 F122 G127 W128 I158F46-L83 HydrophobicContact CZ-CD1 3.96Å; W57-L83 HydrophobicContact CB-CD1 4.05Å; W57-L83 HydrophobicContact CE3-CD1 4.18Å; W57-L83 HydrophobicContact CE3-CD2 3.99Å; W57-L83 HydrophobicContact CE3-CG 3.96Å; W57-L83 HydrophobicContact CZ3-CD2 4.22Å; L59-L83 HydrophobicContact CD2-CB 4.35Å; L59-L83 HydrophobicContact CD2-CD1 3.74Å; L83-V98 HydrophobicContact CD2-CG1 4.2Å; L83-V98 HydrophobicContact CD2-CG2 3.72Å; L83-F122 HydrophobicContact CB-CE1 4.26Å; L83-F122 HydrophobicContact CB-CZ 4.41Å; L83-F122 HydrophobicContact CD2-CE1 4.28Å; L83-F122 HydrophobicContact CD2-CZ 4Å; L83-F122 HydrophobicContact CG-CE1 4.23Å; L83-F122 HydrophobicContact CG-CZ 4.4Å; L83-F122 WeakPolarHBondContact O-CE1 3.33Å; L83-G127 CarbonylContact O-C 3.55Å; L83-G127 WeakPolarHBondContact O-CA 3.46Å; L83-W128 PolarHBondContact N-O 2.98Å; L83-W128 PolarHBondContact O-N 2.7Å; L83-I158 HydrophobicContact CD1-CD1 4.05Å; L83-I158 HydrophobicContact CD2-CD1 4.01Å; L83-I158 HydrophobicContact CD2-CG1 4.35Å
84Y97.1Very high86.7Confident57 Ų5748.3 Ų48.322%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-118.9132.2177.8-78.3-96.6000110.5W57 A58 R60 H82 S126 G127W57-Y84 CarbonylContact C-O 3.58Å; W57-Y84 WeakPolarHBondContact CA-O 3.35Å; A58-Y84 PolarHBondContact N-O 3.46Å; A58-Y84 PolarHBondContact O-N 3.36Å; R60-Y84 HydrophobicContact CB-CD2 4.15Å; R60-Y84 HydrophobicContact CB-CE2 3.71Å; R60-Y84 HydrophobicContact CG-CE2 4.42Å; R60-Y84 PolarHBondContact NH1-OH 3.27Å; H82-Y84 HydrophobicContact CB-CD2 4Å; H82-Y84 HydrophobicContact CB-CE2 3.49Å; H82-Y84 VanDerWaalsContact CB-CE2 3.49Å; Y84-S126 CarbonylContact C-O 3.56Å; Y84-S126 WeakPolarHBondContact CA-O 3.3Å; Y84-S126 WeakPolarHBondContact CD1-O 3.26Å; Y84-G127 VanDerWaalsContact CD1-CA 3.49Å
85Y97.2Very high89.1Confident0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-86.2109.8168.7177.1-141.9000108.7F55 W57 E87 G88 C90 V93 F122 R124 G125 S126F55-Y85 HydrophobicContact CB-CE2 4.36Å; F55-Y85 AromaticContact CD1-CE2 3.83Å; F55-Y85 HydrophobicContact CD1-CE2 3.83Å; W57-Y85 HydrophobicContact CE3-CD2 4.35Å; W57-Y85 HydrophobicContact CH2-CD2 4.17Å; W57-Y85 HydrophobicContact CH2-CG 4.44Å; W57-Y85 HydrophobicContact CZ2-CD2 4.48Å; W57-Y85 HydrophobicContact CZ3-CD2 4.12Å; W57-Y85 HydrophobicContact CZ3-CG 4.18Å; Y85-E87 VanDerWaalsContact CE2-C 3.4Å; Y85-E87 WeakPolarHBondContact CE2-O 3.21Å; Y85-G88 WeakPolarHBondContact OH-CA 3.38Å; Y85-G88 PolarHBondContact OH-N 3.39Å; Y85-C90 PolarHBondContact OH-O 2.87Å; Y85-V93 HydrophobicContact CD1-CG1 3.67Å; Y85-V93 HydrophobicContact CD2-CG1 4.18Å; Y85-V93 HydrophobicContact CE1-CB 4.45Å; Y85-V93 HydrophobicContact CE1-CG1 3.71Å; Y85-V93 HydrophobicContact CE2-CG1 4.21Å; Y85-V93 HydrophobicContact CG-CG1 3.94Å; Y85-F122 HydrophobicContact CD1-CB 4.14Å; Y85-F122 HydrophobicContact CG-CB 4.22Å; Y85-R124 HydrophobicContact CD1-CB 4.19Å; Y85-R124 HydrophobicContact CE1-CB 3.96Å; Y85-R124 HydrophobicContact CE1-CG 4.45Å; Y85-G125 WeakPolarHBondContact O-CA 3.49Å; Y85-G125 PolarHBondContact O-N 2.79Å; Y85-S126 PolarHBondContact N-O 2.93Å
86K94.8Very high91.2Very high105 Ų10540.7 Ų40.746%0.45721%0.211SC..EExtended strand (participates in β ladder)trans-87-50-176.6-64.9-160.773178.50112P45 T56 A58 R124P45-K86 HydrophobicContact CB-CD 4.23Å; P45-K86 HydrophobicContact CG-CD 4.03Å; T56-K86 HydrophobicContact CG2-CB 4.12Å; T56-K86 HydrophobicContact CG2-CD 4.5Å; T56-K86 PolarHBondContact O-N 3.21Å; A58-K86 HydrophobicContact CB-CD 3.86Å; A58-K86 HydrophobicContact CB-CG 4.21Å; K86-R124 VanDerWaalsContact O-CG 3.26Å; K86-R124 WeakPolarHBondContact O-CG 3.24Å
87E92.1Very high92.7Very high104 Ų10438.7 Ų38.749%0.48620%0.199SC..EExtended strand (participates in β ladder)trans-162.3147.8-166.4-178.9176.8-149.900110.1T56 Y85 R382T56-E87 PolarHBondContact N-O 3.37Å; T56-E87 PolarHBondContact O-N 2.88Å; Y85-E87 VanDerWaalsContact CE2-C 3.4Å; Y85-E87 WeakPolarHBondContact CE2-O 3.21Å; E87-R382 IonicContact OE2-NH1 3.91Å; E87-R382 PolarHBondContact OE2-NH1 3.47Å
88G91.1Very high93.8Very high13 Ų1336.1 Ų36.113%0.13419%0.189CC..  trans172.7-177.9178.200000110.5Y85 C90 R124Y85-G88 WeakPolarHBondContact OH-CA 3.38Å; Y85-G88 PolarHBondContact OH-N 3.39Å; G88-C90 VanDerWaalsContact C-N 3.25Å; G88-C90 PolarHBondContact O-N 2.92Å; G88-R124 PolarHBondContact O-NH2 3.04Å
89P90.2Very high94.2Very high29 Ų2940.1 Ų40.119%0.18820%0.203CC..SBendtrans-66-23.7-169.126-36.9000114.5V53 Q54 F55 Y170 M325V53-P89 HydrophobicContact CG1-CG 3.94Å; Q54-P89 VanDerWaalsContact O-CD 3.27Å; Q54-P89 WeakPolarHBondContact O-CD 3.49Å; F55-P89 HydrophobicContact CE1-CG 3.86Å; F55-P89 HydrophobicContact CE2-CG 4.45Å; F55-P89 HydrophobicContact CZ-CG 3.8Å; P89-Y170 HydrophobicContact CB-CD1 3.68Å; P89-Y170 HydrophobicContact CB-CD2 3.74Å; P89-Y170 HydrophobicContact CB-CE1 3.69Å; P89-Y170 HydrophobicContact CB-CE2 3.75Å; P89-Y170 HydrophobicContact CB-CG 3.7Å; P89-Y170 HydrophobicContact CG-CD1 4.09Å; P89-Y170 HydrophobicContact CG-CD2 4.16Å; P89-Y170 HydrophobicContact CG-CE1 3.54Å; P89-Y170 HydrophobicContact CG-CE2 3.62Å; P89-Y170 HydrophobicContact CG-CG 4.37Å; P89-M325 HydrophobicContact CB-CE 3.99Å; P89-M325 HydrophobicContact CB-SD 3.71Å; P89-M325 HydrophobicContact CG-SD 4.12Å
90C91Very high94.5Very high18 Ų1840.3 Ų40.312%0.12221%0.205CC..SBendtrans-124.5155.1-178.650.40000111.5Y85 G88 E92 R124 Y170Y85-C90 PolarHBondContact OH-O 2.87Å; G88-C90 VanDerWaalsContact C-N 3.25Å; G88-C90 PolarHBondContact O-N 2.92Å; C90-E92 VanDerWaalsContact C-N 3.29Å; C90-E92 PolarHBondContact SG-O 3.44Å; C90-R124 PolarHBondContact O-NH2 3.48Å; C90-Y170 HydrophobicContact CB-CD1 4.13Å; C90-Y170 HydrophobicContact CB-CE1 3.88Å
91P91.1Very high94.7Very high86 Ų8642 Ų4256%0.55821%0.212SC*.SBendtrans-68.7-30.2174.827.7-34000112.3S123 R124P91-S123 CarbonylContact O-C 3.58Å; P91-S123 WeakPolarHBondContact O-CA 3.29Å; P91-R124 PolarHBondContact O-N 3.18Å
92E93.9Very high94.7Very high112 Ų11242.1 Ų42.152%0.52321%0.212SC..EExtended strand (participates in β ladder)trans-125136.6-177.1-71.2166.9-179.400110C90 E121 F122C90-E92 VanDerWaalsContact C-N 3.29Å; C90-E92 PolarHBondContact SG-O 3.44Å; E92-E121 HydrophobicContact CB-CG 4.44Å; E92-F122 CarbonylContact C-O 3.56Å; E92-F122 VanDerWaalsContact CA-O 3.3Å; E92-F122 WeakPolarHBondContact CA-O 3.44Å
93V94.9Very high94.6Very high3 Ų342.1 Ų42.12%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-139128.4178.761.40000110.7F55 W57 Y85 E121 F122 M160 L164F55-V93 HydrophobicContact CD1-CB 4.41Å; F55-V93 HydrophobicContact CD1-CG1 4.49Å; F55-V93 HydrophobicContact CD1-CG2 4.09Å; F55-V93 HydrophobicContact CE1-CB 4.06Å; F55-V93 HydrophobicContact CE1-CG2 3.63Å; F55-V93 HydrophobicContact CZ-CG2 4.21Å; W57-V93 HydrophobicContact CH2-CG1 3.85Å; Y85-V93 HydrophobicContact CD1-CG1 3.67Å; Y85-V93 HydrophobicContact CD2-CG1 4.18Å; Y85-V93 HydrophobicContact CE1-CB 4.45Å; Y85-V93 HydrophobicContact CE1-CG1 3.71Å; Y85-V93 HydrophobicContact CE2-CG1 4.21Å; Y85-V93 HydrophobicContact CG-CG1 3.94Å; V93-E121 WeakPolarHBondContact O-CA 3.36Å; V93-F122 HydrophobicContact CG1-CB 3.95Å; V93-F122 PolarHBondContact N-O 3.31Å; V93-F122 PolarHBondContact O-N 2.96Å; V93-M160 HydrophobicContact CG2-CE 3.73Å; V93-L164 HydrophobicContact CG2-CD1 3.92Å; V93-L164 HydrophobicContact CG2-CD2 4.32Å
94A94.1Very high94.4Very high47 Ų4743.5 Ų43.539%0.38822%0.22SC..EExtended strand (participates in β ladder)trans-85.6125.5172.200000110L164A94-L164 WeakPolarHBondContact O-CD1 3.26Å
95V94.7Very high94Very high1 Ų143.2 Ų43.21%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-106.7128.1173.7179.20000107.8W57 V98 P119 T120 F122 I158 K159W57-V95 HydrophobicContact CH2-CG2 3.56Å; W57-V95 HydrophobicContact CZ2-CG2 4.31Å; W57-V95 HydrophobicContact CZ3-CG2 4.22Å; V95-V98 HydrophobicContact CG1-CG2 3.68Å; V95-P119 VanDerWaalsContact O-CA 3.28Å; V95-P119 WeakPolarHBondContact O-CA 3.42Å; V95-T120 PolarHBondContact N-O 3.41Å; V95-T120 PolarHBondContact O-N 3.45Å; V95-F122 HydrophobicContact CB-CD2 4.28Å; V95-F122 HydrophobicContact CB-CE2 4.04Å; V95-F122 HydrophobicContact CG2-CD2 3.79Å; V95-F122 HydrophobicContact CG2-CE2 3.88Å; V95-I158 HydrophobicContact CG1-CG2 3.77Å; V95-K159 WeakPolarHBondContact CG1-O 3.33Å
96E94.9Very high93.7Very high56 Ų5649.4 Ų49.426%0.26226%0.263SS..SBendtrans-71.3-42.8-175.3-68.7-59.6139.900111.8V17 P119 K159 K161V17-E96 HydrophobicContact CG2-CG 4.3Å; E96-P119 WeakPolarHBondContact O-CA 3.45Å; E96-P119 VanDerWaalsContact O-CD 3.28Å; E96-P119 WeakPolarHBondContact O-CD 3.29Å; E96-P119 VanDerWaalsContact O-CG 3.23Å; E96-P119 WeakPolarHBondContact O-CG 3.18Å; E96-K159 HydrophobicContact CB-CB 4.41Å; E96-K159 PolarHBondContact N-O 2.89Å; E96-K161 HydrophobicContact CG-CG 3.91Å; E96-K161 WeakPolarHBondContact OE1-CE 3.18Å; E96-K161 WeakPolarHBondContact OE1-CG 3.47Å; E96-K161 IonicContact OE1-NZ 2.61Å
97E95.3Very high93.5Very high45 Ų4548.1 Ų48.121%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-158.2142.7-179.7-171.7178-150.300110.1R99 K159E97-R99 HydrophobicContact CG-CG 4.18Å; E97-R99 IonicContact OE1-CZ 3.63Å; E97-R99 IonicContact OE1-NE 2.67Å; E97-R99 PolarHBondContact OE1-NE 3.2Å; E97-R99 IonicContact OE1-NH2 2.6Å; E97-R99 PolarHBondContact OE1-NH2 3.02Å; E97-R99 IonicContact OE2-CZ 3.27Å; E97-R99 IonicContact OE2-NE 3.68Å; E97-R99 PolarHBondContact OE2-NE 3.38Å; E97-R99 IonicContact OE2-NH2 3.8Å; E97-R99 PolarHBondContact OE2-NH2 3.39Å; E97-K159 HydrophobicContact CB-CB 4.09Å; E97-K159 HydrophobicContact CB-CD 4.19Å; E97-K159 HydrophobicContact CB-CG 4.46Å; E97-K159 PolarHBondContact N-O 3.47Å; E97-K159 PolarHBondContact O-N 3.33Å; E97-K159 WeakPolarHBondContact OE2-CD 3.12Å; E97-K159 WeakPolarHBondContact OE2-CE 3.29Å; E97-K159 IonicContact OE2-NZ 3.29Å; E97-K159 PolarHBondContact OE2-NZ 3.48Å
98V96.6Very high93.4Very high0 Ų048 Ų480%027%0.267CS..EExtended strand (participates in β ladder)trans-123.3131.7164.8-174.30000108.3L83 V95 A116 L117 I130 V156 E157 I158L83-V98 HydrophobicContact CD2-CG1 4.2Å; L83-V98 HydrophobicContact CD2-CG2 3.72Å; V95-V98 HydrophobicContact CG1-CG2 3.68Å; V98-A116 CarbonylContact O-C 3.46Å; V98-A116 VanDerWaalsContact O-CA 3.23Å; V98-A116 WeakPolarHBondContact O-CA 3.5Å; V98-L117 HydrophobicContact CB-CB 3.76Å; V98-L117 HydrophobicContact CG2-CB 4.15Å; V98-L117 HydrophobicContact CG2-CD2 4Å; V98-L117 PolarHBondContact N-O 3.48Å; V98-L117 VanDerWaalsContact N-O 3.09Å; V98-L117 PolarHBondContact O-N 2.91Å; V98-I130 HydrophobicContact CG1-CD1 3.94Å; V98-V156 HydrophobicContact CG1-CG1 3.62Å; V98-E157 CarbonylContact C-O 3.46Å; V98-E157 VanDerWaalsContact CA-O 3.29Å; V98-E157 WeakPolarHBondContact CA-O 3.44Å; V98-I158 HydrophobicContact CG1-CG1 4.49Å
99R96.5Very high93.5Very high124 Ų12453.7 Ų53.747%0.46829%0.289SS..EExtended strand (participates in β ladder)trans-120.8143.6170.6-64.2-177.7-176.1-1774.9109.8E97 L115 V156 E157E97-R99 HydrophobicContact CG-CG 4.18Å; E97-R99 IonicContact OE1-CZ 3.63Å; E97-R99 IonicContact OE1-NE 2.67Å; E97-R99 PolarHBondContact OE1-NE 3.2Å; E97-R99 IonicContact OE1-NH2 2.6Å; E97-R99 PolarHBondContact OE1-NH2 3.02Å; E97-R99 IonicContact OE2-CZ 3.27Å; E97-R99 IonicContact OE2-NE 3.68Å; E97-R99 PolarHBondContact OE2-NE 3.38Å; E97-R99 IonicContact OE2-NH2 3.8Å; E97-R99 PolarHBondContact OE2-NH2 3.39Å; R99-L115 WeakPolarHBondContact CA-O 3.27Å; R99-V156 CarbonylContact O-C 3.56Å; R99-V156 WeakPolarHBondContact O-CA 3.44Å; R99-E157 HydrophobicContact CB-CB 4.4Å; R99-E157 PolarHBondContact N-O 2.96Å; R99-E157 PolarHBondContact O-N 2.61Å
100A96.8Very high93.8Very high6 Ų656.2 Ų56.25%0.0531%0.305CS..EExtended strand (participates in β ladder)trans-134.3151.2173.100000112L81 L115 I130 V155 V156L81-A100 HydrophobicContact CD2-CB 3.82Å; A100-L115 HydrophobicContact CB-CB 3.77Å; A100-L115 HydrophobicContact CB-CD1 4.01Å; A100-L115 HydrophobicContact CB-CG 4.5Å; A100-L115 PolarHBondContact N-O 3.27Å; A100-L115 WeakPolarHBondContact O-CB 3.44Å; A100-I130 HydrophobicContact CB-CD1 4.1Å; A100-V155 VanDerWaalsContact CA-O 3.31Å; A100-V155 WeakPolarHBondContact CA-O 3.25Å; A100-V156 HydrophobicContact CB-CG2 4Å
101Q96Very high93.9Very high66 Ų6657.8 Ų57.831%0.30831%0.311SS..EExtended strand (participates in β ladder)trans-141.6151.1172.460.9-1762.800110.2L103 F112 V154 V155Q101-L103 HydrophobicContact CG-CD2 4.11Å; Q101-L103 HydrophobicContact CG-CG 4.33Å; Q101-F112 WeakPolarHBondContact CA-O 3.46Å; Q101-V154 WeakPolarHBondContact O-CA 3.23Å; Q101-V155 HydrophobicContact CG-CB 3.94Å; Q101-V155 PolarHBondContact N-O 2.96Å; Q101-V155 PolarHBondContact O-N 2.67Å
102I96.1Very high94.1Very high3 Ų353.8 Ų53.82%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-108.1123.2176.4-45-62.2000107.5L111 F112 L115 F140 L152 L153 V154I102-L111 HydrophobicContact CG2-CB 4.41Å; I102-L111 PolarHBondContact O-N 3.39Å; I102-F112 HydrophobicContact CB-CB 4Å; I102-F112 HydrophobicContact CG1-CB 3.92Å; I102-F112 PolarHBondContact N-O 3.5Å; I102-F112 PolarHBondContact O-N 3.49Å; I102-F112 VanDerWaalsContact O-N 3.08Å; I102-L115 HydrophobicContact CD1-CD1 4.32Å; I102-L115 HydrophobicContact CG1-CD1 4.33Å; I102-F140 HydrophobicContact CD1-CE2 4.15Å; I102-F140 HydrophobicContact CG1-CE2 3.9Å; I102-L152 HydrophobicContact CG2-CB 4.34Å; I102-L152 HydrophobicContact CG2-CD1 4.2Å; I102-L152 HydrophobicContact CG2-CD2 4.11Å; I102-L152 HydrophobicContact CG2-CG 4.47Å; I102-L153 CarbonylContact C-O 3.57Å; I102-L153 WeakPolarHBondContact CA-O 3.35Å; I102-V154 HydrophobicContact CD1-CB 4.33Å; I102-V154 HydrophobicContact CD1-CG1 4.13Å; I102-V154 HydrophobicContact CD1-CG2 3.73Å
103L94.9Very high94.1Very high8 Ų850.2 Ų50.24%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-116153-179.9-50.6-179.4000109.9Q101 N108 E109 T110 L153 V155Q101-L103 HydrophobicContact CG-CD2 4.11Å; Q101-L103 HydrophobicContact CG-CG 4.33Å; L103-N108 WeakPolarHBondContact CD1-OD1 3.48Å; L103-E109 CarbonylContact C-O 3.48Å; L103-E109 VanDerWaalsContact CA-O 3.28Å; L103-E109 WeakPolarHBondContact CA-O 3.5Å; L103-T110 HydrophobicContact CD2-CG2 4.24Å; L103-T110 WeakPolarHBondContact CD2-OG1 3.28Å; L103-L153 HydrophobicContact CB-CB 4.23Å; L103-L153 HydrophobicContact CB-CD2 4.27Å; L103-L153 HydrophobicContact CB-CG 4.38Å; L103-L153 HydrophobicContact CD1-CD2 4.21Å; L103-L153 PolarHBondContact N-O 3Å; L103-L153 PolarHBondContact O-N 3.38Å; L103-V155 HydrophobicContact CD1-CG2 3.7Å; L103-V155 HydrophobicContact CG-CG2 4.31Å
104D92.2Very high93.8Very high31 Ų3152.4 Ų52.417%0.16630%0.298CS..  trans-70.1128.1164.1-172.3-77.4000109V106 T107 N108 E109 L111D104-V106 PolarHBondContact O-N 3.25Å; D104-V106 WeakPolarHBondContact OD1-CA 3.19Å; D104-V106 WeakPolarHBondContact OD1-CB 3.33Å; D104-V106 PolarHBondContact OD1-N 3.37Å; D104-T107 WeakPolarHBondContact CB-OG1 3.23Å; D104-T107 PolarHBondContact OD1-N 2.84Å; D104-T107 VanDerWaalsContact OD1-N 3.09Å; D104-N108 WeakPolarHBondContact O-CA 3.39Å; D104-N108 PolarHBondContact O-N 3.49Å; D104-E109 PolarHBondContact N-O 3.48Å; D104-L111 HydrophobicContact CB-CD1 4.11Å; D104-L111 HydrophobicContact CB-CD2 4.29Å; D104-L111 HydrophobicContact CB-CG 4.2Å
105P90.4Very high93.9Very high50 Ų5050.3 Ų50.333%0.32528%0.28SS..THydrogen-bonded Turntrans-69-16.1-174.728.1-35.4000113.9N151 L153P105-N151 HydrophobicContact CG-CB 3.92Å; P105-L153 HydrophobicContact CB-CB 4.32Å
106V89.9Confident93.9Very high130 Ų13052.2 Ų52.279%0.78830%0.296SS*.THydrogen-bonded Turntrans-99.7-49.9-178.4-176.80000110.9D104D104-V106 PolarHBondContact O-N 3.25Å; D104-V106 WeakPolarHBondContact OD1-CA 3.19Å; D104-V106 WeakPolarHBondContact OD1-CB 3.33Å; D104-V106 PolarHBondContact OD1-N 3.37Å
107T91.4Very high93.8Very high78 Ų7849.6 Ų49.648%0.47928%0.284SS..THydrogen-bonded Turntrans-87.7-15.9-176.965.70000113D104 E109D104-T107 WeakPolarHBondContact CB-OG1 3.23Å; D104-T107 PolarHBondContact OD1-N 2.84Å; D104-T107 VanDerWaalsContact OD1-N 3.09Å; T107-E109 PolarHBondContact O-N 2.87Å; T107-E109 WeakPolarHBondContact OG1-CB 3.48Å; T107-E109 WeakPolarHBondContact OG1-CG 3.47Å; T107-E109 PolarHBondContact OG1-N 3.29Å; T107-E109 PolarHBondContact OG1-OE2 2.95Å
108N89.9Confident93.5Very high103 Ų10351.7 Ų51.755%0.55130%0.304SS*.  trans58.718.4-171.9-152.745.6000113.3L103 D104L103-N108 WeakPolarHBondContact CD1-OD1 3.48Å; D104-N108 WeakPolarHBondContact O-CA 3.39Å; D104-N108 PolarHBondContact O-N 3.49Å
109E93.6Very high93.1Very high131 Ų13156.1 Ų56.161%0.61233%0.333SS*.  trans-76.4141.9175.6-70.4177.6157.500110.6L103 D104 T107 L111L103-E109 CarbonylContact C-O 3.48Å; L103-E109 VanDerWaalsContact CA-O 3.28Å; L103-E109 WeakPolarHBondContact CA-O 3.5Å; D104-E109 PolarHBondContact N-O 3.48Å; T107-E109 PolarHBondContact O-N 2.87Å; T107-E109 WeakPolarHBondContact OG1-CB 3.48Å; T107-E109 WeakPolarHBondContact OG1-CG 3.47Å; T107-E109 PolarHBondContact OG1-N 3.29Å; T107-E109 PolarHBondContact OG1-OE2 2.95Å; E109-L111 PolarHBondContact O-N 3.37Å
110T94.9Very high92.9Very high83 Ų8351.7 Ų51.751%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-71.5112.2178.8-54.80000111L103 A113L103-T110 HydrophobicContact CD2-CG2 4.24Å; L103-T110 WeakPolarHBondContact CD2-OG1 3.28Å; T110-A113 HydrophobicContact CG2-CB 3.9Å
111L93.8Very high92.8Very high50 Ų5056.4 Ų56.426%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-84.3-34.4173.9-60.8177.8000111.7I102 D104 E109 L143 L152I102-L111 HydrophobicContact CG2-CB 4.41Å; I102-L111 PolarHBondContact O-N 3.39Å; D104-L111 HydrophobicContact CB-CD1 4.11Å; D104-L111 HydrophobicContact CB-CD2 4.29Å; D104-L111 HydrophobicContact CB-CG 4.2Å; E109-L111 PolarHBondContact O-N 3.37Å; L111-L143 HydrophobicContact CB-CD1 4.48Å; L111-L143 HydrophobicContact CB-CD2 4.21Å; L111-L152 HydrophobicContact CD1-CD2 3.8Å
112F95.4Very high92.8Very high3 Ų353.2 Ų53.21%0.01333%0.325CS..EExtended strand (participates in β ladder)trans-154.5144.6176.4-166.6-93.1000110.9Q101 I102 L115 M132 R136 E139 F140 L143Q101-F112 WeakPolarHBondContact CA-O 3.46Å; I102-F112 HydrophobicContact CB-CB 4Å; I102-F112 HydrophobicContact CG1-CB 3.92Å; I102-F112 PolarHBondContact N-O 3.5Å; I102-F112 PolarHBondContact O-N 3.49Å; I102-F112 VanDerWaalsContact O-N 3.08Å; F112-L115 HydrophobicContact CD1-CD1 3.9Å; F112-L115 HydrophobicContact CD1-CG 4.2Å; F112-L115 HydrophobicContact CE1-CD1 4.19Å; F112-L115 HydrophobicContact CE1-CG 3.97Å; F112-M132 HydrophobicContact CE1-SD 4.13Å; F112-M132 HydrophobicContact CZ-SD 3.85Å; F112-R136 HydrophobicContact CE2-CB 4.42Å; F112-R136 VanDerWaalsContact CE2-NH2 3.3Å; F112-R136 HydrophobicContact CZ-CB 4.14Å; F112-E139 HydrophobicContact CD2-CG 4.49Å; F112-E139 HydrophobicContact CE2-CB 4.42Å; F112-E139 HydrophobicContact CE2-CG 4.19Å; F112-F140 HydrophobicContact CB-CD2 4.49Å; F112-F140 AromaticContact CD1-CD2 3.62Å; F112-F140 HydrophobicContact CD1-CD2 3.62Å; F112-F140 HydrophobicContact CD1-CE2 4.19Å; F112-F140 HydrophobicContact CD1-CG 4.45Å; F112-F140 HydrophobicContact CD2-CB 4.29Å; F112-F140 HydrophobicContact CD2-CD2 4.19Å; F112-F140 HydrophobicContact CE1-CB 4.12Å; F112-F140 AromaticContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CG 4.18Å; F112-F140 HydrophobicContact CE2-CB 3.73Å; F112-F140 HydrophobicContact CE2-CD2 4.32Å; F112-F140 HydrophobicContact CE2-CG 4.49Å; F112-F140 AromaticContact CG-CD2 3.85Å; F112-F140 HydrophobicContact CG-CD2 3.85Å; F112-F140 HydrophobicContact CZ-CB 3.65Å; F112-F140 HydrophobicContact CZ-CD2 4.14Å; F112-F140 HydrophobicContact CZ-CG 4.21Å; F112-L143 HydrophobicContact CB-CD2 3.63Å; F112-L143 HydrophobicContact CD2-CD2 4.41Å; F112-L143 HydrophobicContact CG-CD2 4.35Å
113A93.1Very high92.8Very high36 Ų3655.5 Ų55.530%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-143.5176.8178.500000110.3T110 R136T110-A113 HydrophobicContact CG2-CB 3.9Å; A113-R136 PolarHBondContact O-NH1 2.78Å
114G90.1Very high92.8Very high50 Ų5061.2 Ų61.252%0.51536%0.363SS..EExtended strand (participates in β ladder)trans84.718.417800000114.2
115L95.1Very high92.8Very high2 Ų262.6 Ų62.61%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-79.7119.8164.6-68.4144000107.9L81 R99 A100 I102 F112 I130 H131 M132 F140L81-L115 HydrophobicContact CD2-CD1 4.45Å; R99-L115 WeakPolarHBondContact CA-O 3.27Å; A100-L115 HydrophobicContact CB-CB 3.77Å; A100-L115 HydrophobicContact CB-CD1 4.01Å; A100-L115 HydrophobicContact CB-CG 4.5Å; A100-L115 PolarHBondContact N-O 3.27Å; A100-L115 WeakPolarHBondContact O-CB 3.44Å; I102-L115 HydrophobicContact CD1-CD1 4.32Å; I102-L115 HydrophobicContact CG1-CD1 4.33Å; F112-L115 HydrophobicContact CD1-CD1 3.9Å; F112-L115 HydrophobicContact CD1-CG 4.2Å; F112-L115 HydrophobicContact CE1-CD1 4.19Å; F112-L115 HydrophobicContact CE1-CG 3.97Å; L115-I130 HydrophobicContact CB-CG2 3.75Å; L115-I130 HydrophobicContact CD2-CG2 4.48Å; L115-H131 CarbonylContact C-O 3.42Å; L115-H131 WeakPolarHBondContact CA-O 3.14Å; L115-M132 HydrophobicContact CD2-CE 3.45Å; L115-M132 VanDerWaalsContact CD2-CE 3.45Å; L115-F140 HydrophobicContact CD1-CE2 4.33Å
116A94.9Very high93Very high41 Ų4162 Ų6234%0.33938%0.381SS..EExtended strand (participates in β ladder)trans-142.2147.3178.800000112.5V98 H131V98-A116 CarbonylContact O-C 3.46Å; V98-A116 VanDerWaalsContact O-CA 3.23Å; V98-A116 WeakPolarHBondContact O-CA 3.5Å; A116-H131 PolarHBondContact N-O 2.93Å; A116-H131 WeakPolarHBondContact O-CA 3.36Å; A116-H131 WeakPolarHBondContact O-CB 3.39Å; A116-H131 PolarHBondContact O-N 3.29Å
117L93Very high93.1Very high2 Ų256.9 Ų56.91%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-119.6121.4168-163.5100.5000107.3V98 T120 F122 W128 P129V98-L117 HydrophobicContact CB-CB 3.76Å; V98-L117 HydrophobicContact CG2-CB 4.15Å; V98-L117 HydrophobicContact CG2-CD2 4Å; V98-L117 PolarHBondContact N-O 3.48Å; V98-L117 VanDerWaalsContact N-O 3.09Å; V98-L117 PolarHBondContact O-N 2.91Å; L117-T120 HydrophobicContact CD2-CG2 4.15Å; L117-T120 WeakPolarHBondContact CD2-OG1 3.43Å; L117-F122 HydrophobicContact CD2-CE2 3.74Å; L117-F122 HydrophobicContact CD2-CZ 3.72Å; L117-W128 HydrophobicContact CD1-CB 3.85Å; L117-P129 VanDerWaalsContact CD1-O 3.27Å; L117-P129 WeakPolarHBondContact CD1-O 3.39Å
118S88.6Confident93.3Very high88 Ų8858.3 Ų58.362%0.61535%0.351SS*.  trans-65.6170.2170.5-57.60000110.7T120S118-T120 PolarHBondContact O-N 3.47Å; S118-T120 PolarHBondContact O-OG1 3.17Å
119P89.4Confident93.5Very high94 Ų9454.8 Ų54.861%0.6133%0.334SS*.SBendtrans-46.7120.1177-28.431.7000111.8V95 E96V95-P119 VanDerWaalsContact O-CA 3.28Å; V95-P119 WeakPolarHBondContact O-CA 3.42Å; E96-P119 WeakPolarHBondContact O-CA 3.45Å; E96-P119 VanDerWaalsContact O-CD 3.28Å; E96-P119 WeakPolarHBondContact O-CD 3.29Å; E96-P119 VanDerWaalsContact O-CG 3.23Å; E96-P119 WeakPolarHBondContact O-CG 3.18Å
120T91.7Very high93.5Very high30 Ų3048.7 Ų48.718%0.18431%0.305CS..EExtended strand (participates in β ladder)trans-143.3141.3-171.6-58.20000110.2V95 L117 S118 F122 W128V95-T120 PolarHBondContact N-O 3.41Å; V95-T120 PolarHBondContact O-N 3.45Å; L117-T120 HydrophobicContact CD2-CG2 4.15Å; L117-T120 WeakPolarHBondContact CD2-OG1 3.43Å; S118-T120 PolarHBondContact O-N 3.47Å; S118-T120 PolarHBondContact O-OG1 3.17Å; T120-F122 HydrophobicContact CG2-CE2 4.2Å; T120-W128 HydrophobicContact CG2-CD2 3.82Å; T120-W128 HydrophobicContact CG2-CG 3.76Å; T120-W128 HydrophobicContact CG2-CZ2 4.32Å
121E94.4Very high93.3Very high105 Ų10549.9 Ų49.949%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-92.6129.7175.2-163.8-178.2114.500110.9E92 V93 W128E92-E121 HydrophobicContact CB-CG 4.44Å; V93-E121 WeakPolarHBondContact O-CA 3.36Å; E121-W128 PolarHBondContact O-NE1 2.92Å
122F95.3Very high93.2Very high0 Ų048.8 Ų48.80%030%0.299CS..EExtended strand (participates in β ladder)trans-107.6128176.9-71.8-108000109.6W57 L83 Y85 E92 V93 V95 L117 T120 W128W57-F122 HydrophobicContact CZ3-CD1 4.12Å; W57-F122 HydrophobicContact CZ3-CD2 4.47Å; W57-F122 HydrophobicContact CZ3-CE1 4.42Å; W57-F122 HydrophobicContact CZ3-CG 4.15Å; L83-F122 HydrophobicContact CB-CE1 4.26Å; L83-F122 HydrophobicContact CB-CZ 4.41Å; L83-F122 HydrophobicContact CD2-CE1 4.28Å; L83-F122 HydrophobicContact CD2-CZ 4Å; L83-F122 HydrophobicContact CG-CE1 4.23Å; L83-F122 HydrophobicContact CG-CZ 4.4Å; L83-F122 WeakPolarHBondContact O-CE1 3.33Å; Y85-F122 HydrophobicContact CD1-CB 4.14Å; Y85-F122 HydrophobicContact CG-CB 4.22Å; E92-F122 CarbonylContact C-O 3.56Å; E92-F122 VanDerWaalsContact CA-O 3.3Å; E92-F122 WeakPolarHBondContact CA-O 3.44Å; V93-F122 HydrophobicContact CG1-CB 3.95Å; V93-F122 PolarHBondContact N-O 3.31Å; V93-F122 PolarHBondContact O-N 2.96Å; V95-F122 HydrophobicContact CB-CD2 4.28Å; V95-F122 HydrophobicContact CB-CE2 4.04Å; V95-F122 HydrophobicContact CG2-CD2 3.79Å; V95-F122 HydrophobicContact CG2-CE2 3.88Å; L117-F122 HydrophobicContact CD2-CE2 3.74Å; L117-F122 HydrophobicContact CD2-CZ 3.72Å; T120-F122 HydrophobicContact CG2-CE2 4.2Å; F122-W128 AromaticContact CD1-CD1 3.57Å; F122-W128 HydrophobicContact CE1-CB 4.05Å; F122-W128 AromaticContact CE1-CD1 3.48Å; F122-W128 VanDerWaalsContact CE1-CD1 3.48Å; F122-W128 HydrophobicContact CE1-CG 4.16Å; F122-W128 AromaticContact CE2-CD1 3.94Å; F122-W128 AromaticContact CG-CD1 3.84Å; F122-W128 HydrophobicContact CZ-CB 4.02Å; F122-W128 AromaticContact CZ-CD1 3.66Å; F122-W128 HydrophobicContact CZ-CG 4.22Å
123S96.1Very high92.9Very high51 Ų5154.9 Ų54.936%0.35733%0.327SS..EExtended strand (participates in β ladder)trans-88.8146.3166-44.40000109.8P91 G125 S126P91-S123 CarbonylContact O-C 3.58Å; P91-S123 WeakPolarHBondContact O-CA 3.29Å; S123-G125 PolarHBondContact O-N 3.21Å; S123-S126 PolarHBondContact N-OG 3.34Å; S123-S126 WeakPolarHBondContact O-CB 3.4Å; S123-S126 PolarHBondContact O-N 2.87Å; S123-S126 PolarHBondContact O-OG 2.85Å
124R94.9Very high92.5Very high128 Ų12860 Ų6048%0.48334%0.343SS..THydrogen-bonded Turntrans-58127.5180-170.2-173.2-65168.5-3.5110.4Y85 K86 G88 C90 P91 S126Y85-R124 HydrophobicContact CD1-CB 4.19Å; Y85-R124 HydrophobicContact CE1-CB 3.96Å; Y85-R124 HydrophobicContact CE1-CG 4.45Å; K86-R124 VanDerWaalsContact O-CG 3.26Å; K86-R124 WeakPolarHBondContact O-CG 3.24Å; G88-R124 PolarHBondContact O-NH2 3.04Å; C90-R124 PolarHBondContact O-NH2 3.48Å; P91-R124 PolarHBondContact O-N 3.18Å; R124-S126 VanDerWaalsContact C-N 3.32Å
125G93.3Very high92.3Very high60 Ų6064.7 Ų64.762%0.61935%0.352SS*.THydrogen-bonded Turntrans86.2-5.8-175.600000114.5Y85 S123Y85-G125 WeakPolarHBondContact O-CA 3.49Å; Y85-G125 PolarHBondContact O-N 2.79Å; S123-G125 PolarHBondContact O-N 3.21Å
126S93.3Very high92Very high37 Ų3767.7 Ų67.726%0.25936%0.363SS..  trans-95.3166.3176.587.20000112.3Y84 Y85 S123 R124Y84-S126 CarbonylContact C-O 3.56Å; Y84-S126 WeakPolarHBondContact CA-O 3.3Å; Y84-S126 WeakPolarHBondContact CD1-O 3.26Å; Y85-S126 PolarHBondContact N-O 2.93Å; S123-S126 PolarHBondContact N-OG 3.34Å; S123-S126 WeakPolarHBondContact O-CB 3.4Å; S123-S126 PolarHBondContact O-N 2.87Å; S123-S126 PolarHBondContact O-OG 2.85Å; R124-S126 VanDerWaalsContact C-N 3.32Å
127G93.5Very high91.7Very high22 Ų2270 Ų7023%0.22736%0.363CS..EExtended strand (participates in β ladder)trans-150.8152.6175.700000112.1L83 Y84L83-G127 CarbonylContact O-C 3.55Å; L83-G127 WeakPolarHBondContact O-CA 3.46Å; Y84-G127 VanDerWaalsContact CD1-CA 3.49Å
128W94.7Very high91.5Very high109 Ų10973 Ų7341%0.41339%0.388SS..EExtended strand (participates in β ladder)trans-119.4139-176.5-69.9103.1000110.6H82 L83 L117 T120 E121 F122 I130H82-W128 VanDerWaalsContact CA-O 3.3Å; H82-W128 WeakPolarHBondContact CA-O 3.2Å; L83-W128 PolarHBondContact N-O 2.98Å; L83-W128 PolarHBondContact O-N 2.7Å; L117-W128 HydrophobicContact CD1-CB 3.85Å; T120-W128 HydrophobicContact CG2-CD2 3.82Å; T120-W128 HydrophobicContact CG2-CG 3.76Å; T120-W128 HydrophobicContact CG2-CZ2 4.32Å; E121-W128 PolarHBondContact O-NE1 2.92Å; F122-W128 AromaticContact CD1-CD1 3.57Å; F122-W128 HydrophobicContact CE1-CB 4.05Å; F122-W128 AromaticContact CE1-CD1 3.48Å; F122-W128 VanDerWaalsContact CE1-CD1 3.48Å; F122-W128 HydrophobicContact CE1-CG 4.16Å; F122-W128 AromaticContact CE2-CD1 3.94Å; F122-W128 AromaticContact CG-CD1 3.84Å; F122-W128 HydrophobicContact CZ-CB 4.02Å; F122-W128 AromaticContact CZ-CD1 3.66Å; F122-W128 HydrophobicContact CZ-CG 4.22Å; W128-I130 PolarHBondContact O-N 3.4Å
129P94Very high91.6Very high29 Ų2973 Ų7319%0.18838%0.378CS..EExtended strand (participates in β ladder)trans-68.9129.9172.527.5-32.1000110L80 L117 H131L80-P129 HydrophobicContact CD1-CB 4.27Å; L117-P129 VanDerWaalsContact CD1-O 3.27Å; L117-P129 WeakPolarHBondContact CD1-O 3.39Å; P129-H131 PolarHBondContact O-N 3.24Å
130I94.3Very high91.8Very high2 Ų268.6 Ų68.61%0.0135%0.349CS..PPolyproline II helixtrans-73.9116.7171.6-51.1179.8000107.2L81 V98 A100 L115 W128L81-I130 HydrophobicContact CD2-CD1 3.92Å; L81-I130 HydrophobicContact CG-CD1 4Å; L81-I130 PolarHBondContact O-N 3.43Å; V98-I130 HydrophobicContact CG1-CD1 3.94Å; A100-I130 HydrophobicContact CB-CD1 4.1Å; L115-I130 HydrophobicContact CB-CG2 3.75Å; L115-I130 HydrophobicContact CD2-CG2 4.48Å; W128-I130 PolarHBondContact O-N 3.4Å
131H91.1Very high91.8Very high109 Ų10967.9 Ų67.951%0.50535%0.345SS..BIsolated β-bridgetrans-79.3158.3-170.1-62-62.6000112.1L115 A116 P129L115-H131 CarbonylContact C-O 3.42Å; L115-H131 WeakPolarHBondContact CA-O 3.14Å; A116-H131 PolarHBondContact N-O 2.93Å; A116-H131 WeakPolarHBondContact O-CA 3.36Å; A116-H131 WeakPolarHBondContact O-CB 3.39Å; A116-H131 PolarHBondContact O-N 3.29Å; P129-H131 PolarHBondContact O-N 3.24Å
132M90.8Very high91.6Very high27 Ų2767.9 Ų67.913%0.13335%0.345CS..  trans-143.1162.8170.168.9-167.680.900108.7F112 L115 R137 F140F112-M132 HydrophobicContact CE1-SD 4.13Å; F112-M132 HydrophobicContact CZ-SD 3.85Å; L115-M132 HydrophobicContact CD2-CE 3.45Å; L115-M132 VanDerWaalsContact CD2-CE 3.45Å; M132-R137 HydrophobicContact CG-CG 3.74Å; M132-R137 HydrophobicContact SD-CB 4.48Å; M132-R137 HydrophobicContact SD-CG 4.09Å; M132-F140 HydrophobicContact CE-CB 4.12Å; M132-F140 HydrophobicContact CE-CD1 3.38Å; M132-F140 HydrophobicContact CE-CE1 3.84Å; M132-F140 HydrophobicContact CE-CG 3.78Å; M132-F140 HydrophobicContact SD-CB 3.58Å; M132-F140 VanDerWaalsContact SD-CB 3.58Å; M132-F140 HydrophobicContact SD-CD1 4.02Å; M132-F140 HydrophobicContact SD-CG 3.92Å
133E88.4Confident91.5Very high130 Ų13069.5 Ų69.561%0.60735%0.353SS*.  trans-55.7144.1174.6-66178.3171.400111.4E135 R136 R137E133-E135 PolarHBondContact O-N 2.97Å; E133-R136 HydrophobicContact CB-CG 4.28Å; E133-R136 PolarHBondContact O-N 2.83Å; E133-R137 PolarHBondContact O-N 3.07Å
134K85.1Confident91.4Very high145 Ų14567.1 Ų67.163%0.6334%0.337SS*.G310 helixtrans-60.6-36.8-172.4179.9172.9179.7-172.90112R136 R137K134-R136 PolarHBondContact O-N 2.74Å; K134-R137 PolarHBondContact O-N 3.08Å
135E86.6Confident91.2Very high148 Ų14864.1 Ų64.169%0.69233%0.328SS*.G310 helixtrans-65.9-27.3-179.1-61.567.4-145.500111.4E133E133-E135 PolarHBondContact O-N 2.97Å
136R89.4Confident91.1Very high64 Ų6468.3 Ų68.324%0.24233%0.329CS..G310 helixtrans-96.2-5.9-175.8-57.9-163.966.3-150.9-5.1114.3F112 A113 E133 K134 A138 E139 F140F112-R136 HydrophobicContact CE2-CB 4.42Å; F112-R136 VanDerWaalsContact CE2-NH2 3.3Å; F112-R136 HydrophobicContact CZ-CB 4.14Å; A113-R136 PolarHBondContact O-NH1 2.78Å; E133-R136 HydrophobicContact CB-CG 4.28Å; E133-R136 PolarHBondContact O-N 2.83Å; K134-R136 PolarHBondContact O-N 2.74Å; R136-A138 PolarHBondContact O-N 2.8Å; R136-E139 IonicContact CZ-OE2 3.69Å; R136-E139 IonicContact NE-OE2 3.86Å; R136-E139 PolarHBondContact NE-OE2 3.41Å; R136-E139 IonicContact NH2-OE1 3.18Å; R136-E139 PolarHBondContact NH2-OE1 2.85Å; R136-E139 IonicContact NH2-OE2 2.68Å; R136-E139 PolarHBondContact NH2-OE2 3.44Å; R136-E139 WeakPolarHBondContact O-CB 3.38Å; R136-E139 PolarHBondContact O-N 2.59Å; R136-F140 PolarHBondContact O-N 3.23Å
137R87.8Confident91Very high91 Ų9169.1 Ų69.134%0.34333%0.328SS..Hα-helixtrans-62.8-40.6178.2-69.3-171.5-131155.4-1.4113.1M132 E133 K134 T141M132-R137 HydrophobicContact CG-CG 3.74Å; M132-R137 HydrophobicContact SD-CB 4.48Å; M132-R137 HydrophobicContact SD-CG 4.09Å; E133-R137 PolarHBondContact O-N 3.07Å; K134-R137 PolarHBondContact O-N 3.08Å; R137-T141 VanDerWaalsContact O-CB 3.32Å; R137-T141 WeakPolarHBondContact O-CB 3.4Å; R137-T141 PolarHBondContact O-N 2.86Å; R137-T141 PolarHBondContact O-OG1 3.19Å
138A88.4Confident90.9Very high65 Ų6569.5 Ų69.554%0.53733%0.326SS..Hα-helixtrans-66.1-44177.800000110.8R136 F140 T141 E142R136-A138 PolarHBondContact O-N 2.8Å; A138-F140 PolarHBondContact O-N 3.2Å; A138-T141 PolarHBondContact O-N 3.44Å; A138-E142 WeakPolarHBondContact O-CB 3.32Å; A138-E142 PolarHBondContact O-N 3.4Å
139E91.6Very high90.7Very high88 Ų8869.7 Ų69.741%0.41134%0.335SS..Hα-helixtrans-56.4-49.4175.1-176.7-161.6164.500111.4F112 R136 E142 L143F112-E139 HydrophobicContact CD2-CG 4.49Å; F112-E139 HydrophobicContact CE2-CB 4.42Å; F112-E139 HydrophobicContact CE2-CG 4.19Å; R136-E139 IonicContact CZ-OE2 3.69Å; R136-E139 IonicContact NE-OE2 3.86Å; R136-E139 PolarHBondContact NE-OE2 3.41Å; R136-E139 IonicContact NH2-OE1 3.18Å; R136-E139 PolarHBondContact NH2-OE1 2.85Å; R136-E139 IonicContact NH2-OE2 2.68Å; R136-E139 PolarHBondContact NH2-OE2 3.44Å; R136-E139 WeakPolarHBondContact O-CB 3.38Å; R136-E139 PolarHBondContact O-N 2.59Å; E139-E142 PolarHBondContact O-N 3.3Å; E139-L143 WeakPolarHBondContact O-CB 3.36Å; E139-L143 PolarHBondContact O-N 3.16Å
140F92.9Very high90.6Very high0 Ų070.7 Ų70.70%034%0.342CS..Hα-helixtrans-62.9-45.5178.3-178.7-115000112.7L61 V79 I102 F112 L115 M132 R136 A138 L143 V144L61-F140 HydrophobicContact CD1-CE1 4.35Å; L61-F140 HydrophobicContact CD1-CZ 3.98Å; V79-F140 HydrophobicContact CB-CD1 4.21Å; V79-F140 HydrophobicContact CB-CE1 4.06Å; V79-F140 HydrophobicContact CG1-CD1 4.35Å; V79-F140 HydrophobicContact CG1-CE1 3.71Å; V79-F140 HydrophobicContact CG1-CZ 4.35Å; V79-F140 WeakPolarHBondContact O-CD1 3.39Å; V79-F140 WeakPolarHBondContact O-CE1 3.5Å; I102-F140 HydrophobicContact CD1-CE2 4.15Å; I102-F140 HydrophobicContact CG1-CE2 3.9Å; F112-F140 HydrophobicContact CB-CD2 4.49Å; F112-F140 AromaticContact CD1-CD2 3.62Å; F112-F140 HydrophobicContact CD1-CD2 3.62Å; F112-F140 HydrophobicContact CD1-CE2 4.19Å; F112-F140 HydrophobicContact CD1-CG 4.45Å; F112-F140 HydrophobicContact CD2-CB 4.29Å; F112-F140 HydrophobicContact CD2-CD2 4.19Å; F112-F140 HydrophobicContact CE1-CB 4.12Å; F112-F140 AromaticContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CG 4.18Å; F112-F140 HydrophobicContact CE2-CB 3.73Å; F112-F140 HydrophobicContact CE2-CD2 4.32Å; F112-F140 HydrophobicContact CE2-CG 4.49Å; F112-F140 AromaticContact CG-CD2 3.85Å; F112-F140 HydrophobicContact CG-CD2 3.85Å; F112-F140 HydrophobicContact CZ-CB 3.65Å; F112-F140 HydrophobicContact CZ-CD2 4.14Å; F112-F140 HydrophobicContact CZ-CG 4.21Å; L115-F140 HydrophobicContact CD1-CE2 4.33Å; M132-F140 HydrophobicContact CE-CB 4.12Å; M132-F140 HydrophobicContact CE-CD1 3.38Å; M132-F140 HydrophobicContact CE-CE1 3.84Å; M132-F140 HydrophobicContact CE-CG 3.78Å; M132-F140 HydrophobicContact SD-CB 3.58Å; M132-F140 VanDerWaalsContact SD-CB 3.58Å; M132-F140 HydrophobicContact SD-CD1 4.02Å; M132-F140 HydrophobicContact SD-CG 3.92Å; R136-F140 PolarHBondContact O-N 3.23Å; A138-F140 PolarHBondContact O-N 3.2Å; F140-L143 PolarHBondContact O-N 3.26Å; F140-V144 HydrophobicContact CD2-CG2 4.28Å; F140-V144 HydrophobicContact CE1-CG2 4.37Å; F140-V144 HydrophobicContact CE2-CG2 3.9Å; F140-V144 HydrophobicContact CZ-CG2 3.95Å; F140-V144 WeakPolarHBondContact O-CG2 3.29Å; F140-V144 PolarHBondContact O-N 3.02Å
141T91.6Very high90.5Very high15 Ų1574.8 Ų74.89%0.09236%0.364CS..Hα-helixtrans-60.6-47.6179-630000110.6V79 R137 A138 V144 H145V79-T141 HydrophobicContact CG2-CG2 4.11Å; V79-T141 PolarHBondContact N-OG1 3.3Å; V79-T141 VanDerWaalsContact N-OG1 3.16Å; R137-T141 VanDerWaalsContact O-CB 3.32Å; R137-T141 WeakPolarHBondContact O-CB 3.4Å; R137-T141 PolarHBondContact O-N 2.86Å; R137-T141 PolarHBondContact O-OG1 3.19Å; A138-T141 PolarHBondContact O-N 3.44Å; T141-V144 PolarHBondContact O-N 2.56Å; T141-H145 PolarHBondContact O-CD2 3.01Å; T141-H145 PolarHBondContact O-N 2.67Å
142E91.6Very high90.6Very high106 Ų10669.6 Ų69.650%0.49534%0.341SS..Hα-helixtrans-63.6-42.4178-170.8-177174.300111.9A138 E139 V144 H145 K146A138-E142 WeakPolarHBondContact O-CB 3.32Å; A138-E142 PolarHBondContact O-N 3.4Å; E139-E142 PolarHBondContact O-N 3.3Å; E142-V144 PolarHBondContact O-N 2.99Å; E142-H145 PolarHBondContact O-N 2.67Å; E142-K146 HydrophobicContact CG-CD 4.19Å; E142-K146 WeakPolarHBondContact O-CB 3.47Å; E142-K146 VanDerWaalsContact O-CG 3.31Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.24Å; E142-K146 WeakPolarHBondContact OE1-CE 3.11Å; E142-K146 IonicContact OE1-NZ 3.23Å; E142-K146 PolarHBondContact OE1-NZ 2.87Å
143L92.9Very high90.9Very high34 Ų3469.4 Ų69.418%0.17834%0.34CS..Hα-helixtrans-57.2-50.1176.4176.273.3000111.5L111 F112 E139 F140 K146 K147L111-L143 HydrophobicContact CB-CD1 4.48Å; L111-L143 HydrophobicContact CB-CD2 4.21Å; F112-L143 HydrophobicContact CB-CD2 3.63Å; F112-L143 HydrophobicContact CD2-CD2 4.41Å; F112-L143 HydrophobicContact CG-CD2 4.35Å; E139-L143 WeakPolarHBondContact O-CB 3.36Å; E139-L143 PolarHBondContact O-N 3.16Å; F140-L143 PolarHBondContact O-N 3.26Å; L143-K146 PolarHBondContact O-N 3.42Å; L143-K147 VanDerWaalsContact O-CG 3.31Å; L143-K147 WeakPolarHBondContact O-CG 3.22Å; L143-K147 PolarHBondContact O-N 2.86Å
144V92.8Very high91.2Very high1 Ų163.2 Ų63.21%0.00631%0.311CS..Hα-helixtrans-66.9-42.4-177.3174.70000110.8V28 L39 L61 V79 F140 T141 E142 K146 K147 V148V28-V144 HydrophobicContact CG1-CG1 4.07Å; L39-V144 HydrophobicContact CD1-CG1 3.39Å; L61-V144 HydrophobicContact CD2-CG1 3.93Å; V79-V144 HydrophobicContact CG1-CB 4.21Å; V79-V144 HydrophobicContact CG1-CG1 4.06Å; V79-V144 HydrophobicContact CG1-CG2 4.16Å; V79-V144 HydrophobicContact CG2-CB 4.22Å; V79-V144 HydrophobicContact CG2-CG1 4.26Å; F140-V144 HydrophobicContact CD2-CG2 4.28Å; F140-V144 HydrophobicContact CE1-CG2 4.37Å; F140-V144 HydrophobicContact CE2-CG2 3.9Å; F140-V144 HydrophobicContact CZ-CG2 3.95Å; F140-V144 WeakPolarHBondContact O-CG2 3.29Å; F140-V144 PolarHBondContact O-N 3.02Å; T141-V144 PolarHBondContact O-N 2.56Å; E142-V144 PolarHBondContact O-N 2.99Å; V144-K146 PolarHBondContact O-N 2.89Å; V144-K147 CarbonylContact O-C 3.55Å; V144-K147 PolarHBondContact O-N 3Å; V144-V148 PolarHBondContact O-N 2.88Å
145H91.5Very high91.8Very high65 Ų6557 Ų5730%0.30129%0.285SS..Hα-helixtrans-64.1-38.3176.2-79-60000112.9D63 T141 E142 K147 V148D63-H145 IonicContact OD1-CE1 3.99Å; D63-H145 IonicContact OD1-NE2 3.61Å; D63-H145 IonicContact OD2-CE1 2.71Å; T141-H145 PolarHBondContact O-CD2 3.01Å; T141-H145 PolarHBondContact O-N 2.67Å; E142-H145 PolarHBondContact O-N 2.67Å; H145-K147 PolarHBondContact O-N 3.19Å; H145-V148 VanDerWaalsContact O-CG2 3.27Å; H145-V148 WeakPolarHBondContact O-CG2 3.41Å; H145-V148 PolarHBondContact O-N 3.19Å
146K91.6Very high92.3Very high147 Ų14750 Ų5064%0.63925%0.252SS*.Hα-helixtrans-63.5-21.8173.2-78176.9-179.41690113.2E142 L143 V144E142-K146 HydrophobicContact CG-CD 4.19Å; E142-K146 WeakPolarHBondContact O-CB 3.47Å; E142-K146 VanDerWaalsContact O-CG 3.31Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.24Å; E142-K146 WeakPolarHBondContact OE1-CE 3.11Å; E142-K146 IonicContact OE1-NZ 3.23Å; E142-K146 PolarHBondContact OE1-NZ 2.87Å; L143-K146 PolarHBondContact O-N 3.42Å; V144-K146 PolarHBondContact O-N 2.89Å
147K90.8Very high92.6Very high55 Ų5549 Ų4924%0.23925%0.25CS..THydrogen-bonded Turntrans-101.912.2-178.3-68.2-77.3-171.9171.50112.9V28 L143 V144 H145 S150 L152V28-K147 WeakPolarHBondContact CB-O 3.47Å; L143-K147 VanDerWaalsContact O-CG 3.31Å; L143-K147 WeakPolarHBondContact O-CG 3.22Å; L143-K147 PolarHBondContact O-N 2.86Å; V144-K147 CarbonylContact O-C 3.55Å; V144-K147 PolarHBondContact O-N 3Å; H145-K147 PolarHBondContact O-N 3.19Å; K147-S150 WeakPolarHBondContact O-CA 3.45Å; K147-S150 VanDerWaalsContact O-CB 3.24Å; K147-S150 WeakPolarHBondContact O-CB 3.46Å; K147-S150 PolarHBondContact O-N 3.42Å; K147-L152 HydrophobicContact CB-CD1 4.1Å; K147-L152 HydrophobicContact CB-CD2 4.07Å; K147-L152 HydrophobicContact CB-CG 4.21Å; K147-L152 HydrophobicContact CD-CD2 4.09Å; K147-L152 HydrophobicContact CG-CD2 3.95Å
148V91.4Very high93Very high30 Ų3044.7 Ų44.718%0.18223%0.234CC..THydrogen-bonded Turntrans-55.2141168.8173.80000109.5V28 Q30 V144 H145 S150V28-V148 HydrophobicContact CG1-CG2 4.11Å; Q30-V148 HydrophobicContact CG-CG1 4.04Å; Q30-V148 HydrophobicContact CG-CG2 4.01Å; V144-V148 PolarHBondContact O-N 2.88Å; H145-V148 VanDerWaalsContact O-CG2 3.27Å; H145-V148 WeakPolarHBondContact O-CG2 3.41Å; H145-V148 PolarHBondContact O-N 3.19Å; V148-S150 PolarHBondContact O-N 3.3Å
149D90.2Very high93.4Very high112 Ų11243.6 Ų43.660%0.59922%0.217SC*.THydrogen-bonded Turntrans62.63.2-172-64.7-52.2000116K27 V28K27-D149 WeakPolarHBondContact CE-O 3.41Å; V28-D149 PolarHBondContact O-N 3.12Å
150S91.6Very high93.6Very high50 Ų5039.4 Ų39.435%0.3520%0.198SC..SBendtrans-104.7162.9175.6-52.20000111.4K27 V28 K147 V148K27-S150 WeakPolarHBondContact CA-O 3.36Å; V28-S150 PolarHBondContact N-O 3.1Å; K147-S150 WeakPolarHBondContact O-CA 3.45Å; K147-S150 VanDerWaalsContact O-CB 3.24Å; K147-S150 WeakPolarHBondContact O-CB 3.46Å; K147-S150 PolarHBondContact O-N 3.42Å; V148-S150 PolarHBondContact O-N 3.3Å
151N92.3Very high93.6Very high88 Ų8842.2 Ų42.247%0.47121%0.21SC..EExtended strand (participates in β ladder)trans-88.3139.8175.5-66.2-40.4000110.7L26 K27 P105L26-N151 CarbonylContact O-C 3.47Å; L26-N151 VanDerWaalsContact O-CA 3.27Å; L26-N151 WeakPolarHBondContact O-CA 3.45Å; K27-N151 WeakPolarHBondContact CB-OD1 3.44Å; P105-N151 HydrophobicContact CG-CB 3.92Å
152L93.7Very high93.7Very high1 Ų143.6 Ų43.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-127150171.1-67.7-179.7000109.6T25 L26 V28 I102 L111 K147T25-L152 WeakPolarHBondContact CA-O 3.18Å; L26-L152 HydrophobicContact CD2-CB 4.3Å; L26-L152 HydrophobicContact CG-CB 4.47Å; L26-L152 PolarHBondContact N-O 2.91Å; L26-L152 PolarHBondContact O-N 3.39Å; V28-L152 HydrophobicContact CG2-CB 4.44Å; V28-L152 HydrophobicContact CG2-CD1 3.49Å; V28-L152 VanDerWaalsContact CG2-CD1 3.49Å; V28-L152 HydrophobicContact CG2-CG 3.84Å; I102-L152 HydrophobicContact CG2-CB 4.34Å; I102-L152 HydrophobicContact CG2-CD1 4.2Å; I102-L152 HydrophobicContact CG2-CD2 4.11Å; I102-L152 HydrophobicContact CG2-CG 4.47Å; L111-L152 HydrophobicContact CD1-CD2 3.8Å; K147-L152 HydrophobicContact CB-CD1 4.1Å; K147-L152 HydrophobicContact CB-CD2 4.07Å; K147-L152 HydrophobicContact CB-CG 4.21Å; K147-L152 HydrophobicContact CD-CD2 4.09Å; K147-L152 HydrophobicContact CG-CD2 3.95Å
153L95.8Very high93.8Very high22 Ų2240.8 Ų40.812%0.11521%0.208CC..EExtended strand (participates in β ladder)trans-109.1112.7169.9175.460.9000109.2P23 I102 L103 P105 V155P23-L153 HydrophobicContact CB-CD1 3.95Å; I102-L153 CarbonylContact C-O 3.57Å; I102-L153 WeakPolarHBondContact CA-O 3.35Å; L103-L153 HydrophobicContact CB-CB 4.23Å; L103-L153 HydrophobicContact CB-CD2 4.27Å; L103-L153 HydrophobicContact CB-CG 4.38Å; L103-L153 HydrophobicContact CD1-CD2 4.21Å; L103-L153 PolarHBondContact N-O 3Å; L103-L153 PolarHBondContact O-N 3.38Å; P105-L153 HydrophobicContact CB-CB 4.32Å; L153-V155 HydrophobicContact CD1-CG2 4.42Å; L153-V155 HydrophobicContact CD2-CG2 4.29Å; L153-V155 HydrophobicContact CG-CG2 4.01Å
154V96.3Very high93.8Very high1 Ų140.8 Ų40.81%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-94.6121.6172.3-176.30000107.6W24 L26 L81 Q101 I102 V156W24-V154 HydrophobicContact CB-CB 4.32Å; W24-V154 HydrophobicContact CE3-CB 4.06Å; W24-V154 HydrophobicContact CE3-CG1 4.41Å; W24-V154 HydrophobicContact CE3-CG2 4.01Å; W24-V154 HydrophobicContact CZ3-CG2 4.48Å; W24-V154 PolarHBondContact N-O 3.28Å; W24-V154 PolarHBondContact O-N 3.39Å; L26-V154 HydrophobicContact CD2-CB 4.44Å; L26-V154 HydrophobicContact CD2-CG2 3.36Å; L81-V154 HydrophobicContact CD2-CG1 3.79Å; Q101-V154 WeakPolarHBondContact O-CA 3.23Å; I102-V154 HydrophobicContact CD1-CB 4.33Å; I102-V154 HydrophobicContact CD1-CG1 4.13Å; I102-V154 HydrophobicContact CD1-CG2 3.73Å; V154-V156 HydrophobicContact CG1-CG2 3.86Å
155V96.5Very high93.8Very high14 Ų1440.7 Ų40.79%0.08521%0.207CC..EExtended strand (participates in β ladder)trans-108.8120173.1-177.60000108.2Q21 A100 Q101 L103 L153Q21-V155 HydrophobicContact CG-CG1 3.62Å; A100-V155 VanDerWaalsContact CA-O 3.31Å; A100-V155 WeakPolarHBondContact CA-O 3.25Å; Q101-V155 HydrophobicContact CG-CB 3.94Å; Q101-V155 PolarHBondContact N-O 2.96Å; Q101-V155 PolarHBondContact O-N 2.67Å; L103-V155 HydrophobicContact CD1-CG2 3.7Å; L103-V155 HydrophobicContact CG-CG2 4.31Å; L153-V155 HydrophobicContact CD1-CG2 4.42Å; L153-V155 HydrophobicContact CD2-CG2 4.29Å; L153-V155 HydrophobicContact CG-CG2 4.01Å
156V96.7Very high93.8Very high0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-111.7131.9178.7-176.60000109.5Q21 H22 L59 V98 R99 A100 V154 I158Q21-V156 CarbonylContact C-O 3.56Å; Q21-V156 WeakPolarHBondContact CA-O 3.43Å; H22-V156 PolarHBondContact N-O 2.83Å; H22-V156 PolarHBondContact O-N 3.2Å; L59-V156 HydrophobicContact CD1-CB 4.37Å; L59-V156 HydrophobicContact CD1-CG2 3.49Å; L59-V156 VanDerWaalsContact CD1-CG2 3.49Å; L59-V156 HydrophobicContact CD2-CG2 3.85Å; L59-V156 HydrophobicContact CG-CG2 4.32Å; V98-V156 HydrophobicContact CG1-CG1 3.62Å; R99-V156 CarbonylContact O-C 3.56Å; R99-V156 WeakPolarHBondContact O-CA 3.44Å; A100-V156 HydrophobicContact CB-CG2 4Å; V154-V156 HydrophobicContact CG1-CG2 3.86Å; V156-I158 HydrophobicContact CG1-CG1 4.03Å
157E96.9Very high93.8Very high43 Ų4335 Ų3520%0.20118%0.184CC..EExtended strand (participates in β ladder)trans-107.9126.7170.1-176.1177.5-122.800108.8S19 F20 V98 R99 K159S19-E157 WeakPolarHBondContact OG-CG 3.2Å; S19-E157 PolarHBondContact OG-OE1 2.83Å; F20-E157 CarbonylContact O-C 3.48Å; F20-E157 VanDerWaalsContact O-CA 3.29Å; F20-E157 WeakPolarHBondContact O-CA 3.46Å; V98-E157 CarbonylContact C-O 3.46Å; V98-E157 VanDerWaalsContact CA-O 3.29Å; V98-E157 WeakPolarHBondContact CA-O 3.44Å; R99-E157 HydrophobicContact CB-CB 4.4Å; R99-E157 PolarHBondContact N-O 2.96Å; R99-E157 PolarHBondContact O-N 2.61Å; E157-K159 WeakPolarHBondContact OE2-CE 3.36Å
158I96.8Very high93.8Very high1 Ų134.5 Ų34.51%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-117.5122.8178.4-52.9178.2000108F20 F46 T48 W57 L83 V95 V98 V156 M160F20-I158 PolarHBondContact N-O 2.84Å; F20-I158 PolarHBondContact O-N 3Å; F46-I158 HydrophobicContact CE2-CD1 3.75Å; F46-I158 HydrophobicContact CZ-CD1 4.08Å; T48-I158 HydrophobicContact CG2-CD1 4.36Å; W57-I158 HydrophobicContact CD2-CD1 4.32Å; W57-I158 HydrophobicContact CG-CD1 4.19Å; L83-I158 HydrophobicContact CD1-CD1 4.05Å; L83-I158 HydrophobicContact CD2-CD1 4.01Å; L83-I158 HydrophobicContact CD2-CG1 4.35Å; V95-I158 HydrophobicContact CG1-CG2 3.77Å; V98-I158 HydrophobicContact CG1-CG1 4.49Å; V156-I158 HydrophobicContact CG1-CG1 4.03Å; I158-M160 HydrophobicContact CG2-CG 3.92Å; I158-M160 HydrophobicContact CG2-SD 4.21Å
159K95.9Very high93.7Very high42 Ų4237.3 Ų37.318%0.18320%0.198CC..EExtended strand (participates in β ladder)trans-106.6126176.8-68.1-171.7-170163.40110.9V17 I18 V95 E96 E97 E157V17-K159 HydrophobicContact CG1-CB 3.66Å; V17-K159 HydrophobicContact CG1-CD 4.36Å; V17-K159 HydrophobicContact CG1-CG 4.3Å; I18-K159 WeakPolarHBondContact O-CA 3.32Å; V95-K159 WeakPolarHBondContact CG1-O 3.33Å; E96-K159 HydrophobicContact CB-CB 4.41Å; E96-K159 PolarHBondContact N-O 2.89Å; E97-K159 HydrophobicContact CB-CB 4.09Å; E97-K159 HydrophobicContact CB-CD 4.19Å; E97-K159 HydrophobicContact CB-CG 4.46Å; E97-K159 PolarHBondContact N-O 3.47Å; E97-K159 PolarHBondContact O-N 3.33Å; E97-K159 WeakPolarHBondContact OE2-CD 3.12Å; E97-K159 WeakPolarHBondContact OE2-CE 3.29Å; E97-K159 IonicContact OE2-NZ 3.29Å; E97-K159 PolarHBondContact OE2-NZ 3.48Å; E157-K159 WeakPolarHBondContact OE2-CE 3.36Å
160M95.2Very high93.7Very high0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-133.9146.1-175.2-61.5-177.770.600109.9V17 I18 F20 F55 W57 V93 I158 L164 F165V17-M160 WeakPolarHBondContact CA-O 3.46Å; I18-M160 PolarHBondContact N-O 2.86Å; I18-M160 PolarHBondContact O-N 3.18Å; F20-M160 HydrophobicContact CE2-CB 4.41Å; F20-M160 HydrophobicContact CE2-SD 4.41Å; F55-M160 HydrophobicContact CD1-CE 4.18Å; F55-M160 HydrophobicContact CD2-CE 3.7Å; F55-M160 HydrophobicContact CD2-SD 4.48Å; F55-M160 HydrophobicContact CE1-CE 4.27Å; F55-M160 HydrophobicContact CE2-CE 3.81Å; F55-M160 HydrophobicContact CG-CE 3.89Å; F55-M160 HydrophobicContact CZ-CE 4.09Å; W57-M160 HydrophobicContact CZ2-CE 3.9Å; W57-M160 HydrophobicContact CZ2-SD 3.87Å; V93-M160 HydrophobicContact CG2-CE 3.73Å; I158-M160 HydrophobicContact CG2-CG 3.92Å; I158-M160 HydrophobicContact CG2-SD 4.21Å; M160-L164 HydrophobicContact CB-CD1 4.2Å; M160-L164 HydrophobicContact CE-CD1 3.83Å; M160-F165 HydrophobicContact CB-CE2 3.87Å; M160-F165 HydrophobicContact CB-CZ 4.32Å; M160-F165 HydrophobicContact CE-CZ 4.22Å; M160-F165 HydrophobicContact SD-CE2 4.4Å; M160-F165 HydrophobicContact SD-CZ 3.92Å
161K94.3Very high93.7Very high60 Ų6032.2 Ų32.226%0.26116%0.163SC..EExtended strand (participates in β ladder)trans-62.3140.2173.2-62.8-163.5-177.3-163.30110.7D15 E96 S163 L164D15-K161 IonicContact OD2-NZ 3.87Å; D15-K161 PolarHBondContact OD2-NZ 2.99Å; E96-K161 HydrophobicContact CG-CG 3.91Å; E96-K161 WeakPolarHBondContact OE1-CE 3.18Å; E96-K161 WeakPolarHBondContact OE1-CG 3.47Å; E96-K161 IonicContact OE1-NZ 2.61Å; K161-S163 PolarHBondContact O-N 3.08Å; K161-L164 HydrophobicContact CB-CD1 4.42Å; K161-L164 HydrophobicContact CB-CG 4.35Å; K161-L164 WeakPolarHBondContact O-CB 3.31Å; K161-L164 PolarHBondContact O-N 3.04Å; K161-L164 VanDerWaalsContact O-N 3.16Å
162E93.4Very high93.4Very high43 Ų4329.9 Ų29.920%0.20115%0.153CC..G310 helixtrans-61-32.1176.8177.6167.317900112.4S16 I18 Y50 K51 L164 F165S16-E162 WeakPolarHBondContact CB-OE2 3.36Å; S16-E162 WeakPolarHBondContact O-CB 3.13Å; S16-E162 PolarHBondContact O-N 3.37Å; S16-E162 PolarHBondContact OG-OE2 3.18Å; I18-E162 HydrophobicContact CD1-CB 3.93Å; I18-E162 HydrophobicContact CD1-CG 3.98Å; I18-E162 HydrophobicContact CG1-CB 4.08Å; Y50-E162 HydrophobicContact CE1-CG 3.97Å; Y50-E162 PolarHBondContact OH-OE1 2.86Å; K51-E162 WeakPolarHBondContact CE-OE1 3.48Å; K51-E162 IonicContact NZ-OE1 3.92Å; K51-E162 PolarHBondContact NZ-OE1 3.24Å; E162-L164 PolarHBondContact O-N 2.88Å; E162-F165 WeakPolarHBondContact O-CB 3.37Å; E162-F165 PolarHBondContact O-N 2.98Å
163S92.4Very high92.5Very high48 Ų4833.6 Ų33.634%0.33617%0.172SC..G310 helixtrans-63-20.4177.456.10000114K161 F165 E166 N169K161-S163 PolarHBondContact O-N 3.08Å; S163-F165 PolarHBondContact O-N 3.41Å; S163-E166 PolarHBondContact O-N 3.21Å; S163-N169 PolarHBondContact O-ND2 2.81Å
164L93.4Very high91.2Very high33 Ų3333 Ų3317%0.17317%0.17CC..G310 helixtrans-71-3.8170.3-64.3171.4000112.7V53 F55 V93 A94 M160 K161 E162 Y170V53-L164 WeakPolarHBondContact CG1-O 3.41Å; F55-L164 HydrophobicContact CE2-CB 4.25Å; F55-L164 WeakPolarHBondContact CE2-O 3.18Å; F55-L164 HydrophobicContact CZ-CB 4.05Å; F55-L164 WeakPolarHBondContact CZ-O 3.4Å; V93-L164 HydrophobicContact CG2-CD1 3.92Å; V93-L164 HydrophobicContact CG2-CD2 4.32Å; A94-L164 WeakPolarHBondContact O-CD1 3.26Å; M160-L164 HydrophobicContact CB-CD1 4.2Å; M160-L164 HydrophobicContact CE-CD1 3.83Å; K161-L164 HydrophobicContact CB-CD1 4.42Å; K161-L164 HydrophobicContact CB-CG 4.35Å; K161-L164 WeakPolarHBondContact O-CB 3.31Å; K161-L164 PolarHBondContact O-N 3.04Å; K161-L164 VanDerWaalsContact O-N 3.16Å; E162-L164 PolarHBondContact O-N 2.88Å; L164-Y170 PolarHBondContact O-OH 2.88Å
165F93.1Very high89.7Confident0 Ų039.8 Ų39.80%020%0.202CC..G310 helixtrans-11619.9179.4-62.4-86000112I18 F20 Y50 K51 V53 F55 M160 E162 S163 P167I18-F165 HydrophobicContact CD1-CD2 4.01Å; I18-F165 HydrophobicContact CD1-CE2 4.37Å; F20-F165 HydrophobicContact CE1-CZ 4.46Å; F20-F165 HydrophobicContact CE2-CE1 4.37Å; F20-F165 AromaticContact CE2-CE2 3.81Å; F20-F165 HydrophobicContact CE2-CE2 3.81Å; F20-F165 AromaticContact CE2-CZ 3.44Å; F20-F165 HydrophobicContact CE2-CZ 3.44Å; F20-F165 VanDerWaalsContact CE2-CZ 3.44Å; F20-F165 AromaticContact CZ-CE1 3.84Å; F20-F165 HydrophobicContact CZ-CE1 3.84Å; F20-F165 AromaticContact CZ-CE2 3.87Å; F20-F165 HydrophobicContact CZ-CE2 3.87Å; F20-F165 AromaticContact CZ-CZ 3.33Å; F20-F165 HydrophobicContact CZ-CZ 3.33Å; Y50-F165 HydrophobicContact CD1-CB 3.68Å; Y50-F165 HydrophobicContact CD1-CD2 4.37Å; Y50-F165 HydrophobicContact CD1-CG 4.02Å; Y50-F165 HydrophobicContact CG-CB 4.41Å; Y50-F165 HydrophobicContact CG-CG 4.39Å; Y50-F165 WeakPolarHBondContact O-CB 3.45Å; Y50-F165 WeakPolarHBondContact O-CD1 3.32Å; K51-F165 WeakPolarHBondContact CB-O 3.43Å; V53-F165 HydrophobicContact CB-CB 4.22Å; V53-F165 HydrophobicContact CB-CD1 3.98Å; V53-F165 HydrophobicContact CG1-CD1 4.24Å; V53-F165 WeakPolarHBondContact CG2-O 3.36Å; V53-F165 WeakPolarHBondContact O-CD1 3.37Å; F55-F165 AromaticContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CZ 4.04Å; F55-F165 HydrophobicContact CE2-CD1 4.17Å; F55-F165 AromaticContact CE2-CE1 3.8Å; F55-F165 HydrophobicContact CE2-CE1 3.8Å; F55-F165 HydrophobicContact CE2-CZ 4.04Å; M160-F165 HydrophobicContact CB-CE2 3.87Å; M160-F165 HydrophobicContact CB-CZ 4.32Å; M160-F165 HydrophobicContact CE-CZ 4.22Å; M160-F165 HydrophobicContact SD-CE2 4.4Å; M160-F165 HydrophobicContact SD-CZ 3.92Å; E162-F165 WeakPolarHBondContact O-CB 3.37Å; E162-F165 PolarHBondContact O-N 2.98Å; S163-F165 PolarHBondContact O-N 3.41Å; F165-P167 WeakPolarHBondContact O-CD 3.37Å
166E91.5Very high88Confident82 Ų8241.9 Ų41.938%0.38321%0.214SC..  trans-98.8110.7172.8-67.4179.4167.900109.3S163 L168 N169S163-E166 PolarHBondContact O-N 3.21Å; E166-L168 PolarHBondContact O-N 2.89Å; E166-L168 VanDerWaalsContact O-N 3.15Å; E166-N169 WeakPolarHBondContact CB-ND2 3.4Å; E166-N169 WeakPolarHBondContact O-CB 3.36Å; E166-N169 PolarHBondContact O-N 3.1Å; E166-N169 VanDerWaalsContact O-N 3.16Å; E166-N169 PolarHBondContact OE2-ND2 3.26Å
167P90.7Very high85.8Confident10 Ų1041.9 Ų41.97%0.06521%0.214CC..G310 helixtrans-58.4-34-172.8-25.932.7000114.3V53 F165 N169 Y170 I297 I322 V326V53-P167 HydrophobicContact CG2-CB 4.27Å; V53-P167 HydrophobicContact CG2-CG 3.65Å; F165-P167 WeakPolarHBondContact O-CD 3.37Å; P167-N169 PolarHBondContact O-N 3.34Å; P167-Y170 WeakPolarHBondContact O-CD2 3.18Å; P167-Y170 PolarHBondContact O-N 2.92Å; P167-I297 HydrophobicContact CB-CD1 4.42Å; P167-I297 HydrophobicContact CG-CD1 4.09Å; P167-I322 HydrophobicContact CB-CG2 4.14Å; P167-I322 WeakPolarHBondContact O-CG2 3.41Å; P167-V326 HydrophobicContact CB-CG2 3.44Å; P167-V326 VanDerWaalsContact CB-CG2 3.44Å; P167-V326 HydrophobicContact CG-CG2 3.49Å; P167-V326 VanDerWaalsContact CG-CG2 3.49Å
168L90.6Very high83.8Confident44 Ų4443 Ų4323%0.2322%0.219CC..G310 helixtrans-69.9-18.3-175-56.8-177.3000113.2E166 Y170 L171 R290 C293 Q294 I297E166-L168 PolarHBondContact O-N 2.89Å; E166-L168 VanDerWaalsContact O-N 3.15Å; L168-Y170 PolarHBondContact O-N 3.45Å; L168-L171 HydrophobicContact CD2-CD1 4.32Å; L168-L171 PolarHBondContact O-N 3.29Å; L168-R290 HydrophobicContact CD2-CG 4.44Å; L168-R290 PolarHBondContact O-NH1 3.47Å; L168-C293 HydrophobicContact CD2-CB 3.86Å; L168-Q294 HydrophobicContact CD1-CG 3.63Å; L168-Q294 HydrophobicContact CD2-CG 4.01Å; L168-Q294 HydrophobicContact CG-CG 4.49Å; L168-I297 HydrophobicContact CD2-CD1 4.47Å; L168-I297 HydrophobicContact CG-CD1 4.35Å
169N90.3Very high82Confident90 Ų9052.2 Ų52.248%0.48125%0.253SS..G310 helixtrans-70.5-13.1176.8-67.8-11.1000112.5S163 E166 P167S163-N169 PolarHBondContact O-ND2 2.81Å; E166-N169 WeakPolarHBondContact CB-ND2 3.4Å; E166-N169 WeakPolarHBondContact O-CB 3.36Å; E166-N169 PolarHBondContact O-N 3.1Å; E166-N169 VanDerWaalsContact O-N 3.16Å; E166-N169 PolarHBondContact OE2-ND2 3.26Å; P167-N169 PolarHBondContact O-N 3.34Å
170Y90.9Very high80.8Confident47 Ų4752.1 Ų52.118%0.18426%0.258CS..G310 helixtrans-96.60.4177.4-57.3-65.6000114.1V53 F55 P89 C90 L164 P167 L168 I322 M325V53-Y170 HydrophobicContact CG1-CE2 3.86Å; V53-Y170 HydrophobicContact CG2-CE2 4.48Å; F55-Y170 WeakPolarHBondContact CZ-OH 3.41Å; P89-Y170 HydrophobicContact CB-CD1 3.68Å; P89-Y170 HydrophobicContact CB-CD2 3.74Å; P89-Y170 HydrophobicContact CB-CE1 3.69Å; P89-Y170 HydrophobicContact CB-CE2 3.75Å; P89-Y170 HydrophobicContact CB-CG 3.7Å; P89-Y170 HydrophobicContact CG-CD1 4.09Å; P89-Y170 HydrophobicContact CG-CD2 4.16Å; P89-Y170 HydrophobicContact CG-CE1 3.54Å; P89-Y170 HydrophobicContact CG-CE2 3.62Å; P89-Y170 HydrophobicContact CG-CG 4.37Å; C90-Y170 HydrophobicContact CB-CD1 4.13Å; C90-Y170 HydrophobicContact CB-CE1 3.88Å; L164-Y170 PolarHBondContact O-OH 2.88Å; P167-Y170 WeakPolarHBondContact O-CD2 3.18Å; P167-Y170 PolarHBondContact O-N 2.92Å; L168-Y170 PolarHBondContact O-N 3.45Å; Y170-I322 VanDerWaalsContact CB-CD1 3.44Å; Y170-I322 HydrophobicContact CG-CD1 4.35Å; Y170-M325 HydrophobicContact CD2-CE 4.13Å; Y170-M325 HydrophobicContact CE2-CE 4.48Å
171L90.1Very high80.1Confident7 Ų758.1 Ų58.14%0.03729%0.286CS..SBendtrans-102.2154.4173.6-65.9171.4000109.4L168 D173 K286 E289 R290 I322L168-L171 HydrophobicContact CD2-CD1 4.32Å; L168-L171 PolarHBondContact O-N 3.29Å; L171-D173 PolarHBondContact O-N 2.96Å; L171-D173 VanDerWaalsContact O-N 3.13Å; L171-K286 HydrophobicContact CD2-CD 3.76Å; L171-E289 HydrophobicContact CD2-CB 4.41Å; L171-E289 HydrophobicContact CD2-CG 4.12Å; L171-R290 VanDerWaalsContact CD1-CA 3.43Å; L171-R290 HydrophobicContact CD1-CB 3.72Å; L171-R290 HydrophobicContact CD1-CG 4.27Å; L171-R290 PolarHBondContact O-NH2 2.97Å; L171-I322 HydrophobicContact CD1-CG2 4.43Å; L171-I322 HydrophobicContact CD2-CB 4.11Å; L171-I322 HydrophobicContact CD2-CG1 3.64Å; L171-I322 HydrophobicContact CG-CB 4.33Å; L171-I322 HydrophobicContact CG-CG1 4.02Å; L171-I322 HydrophobicContact CG-CG2 4.28Å
172P86.2Confident79.6Confident39 Ų3960.8 Ų60.825%0.25329%0.294SS..  trans-50.9119.7-173.4-27.134.5000112.9V174 K286 R290P172-V174 VanDerWaalsContact O-CG2 3.31Å; P172-V174 WeakPolarHBondContact O-CG2 3.37Å; P172-V174 PolarHBondContact O-N 2.88Å; P172-K286 HydrophobicContact CG-CB 4.16Å; P172-K286 HydrophobicContact CG-CG 4.35Å; P172-R290 PolarHBondContact O-NH2 2.82Å
173D75.9Confident79.3Confident79 Ų7959 Ų5942%0.42229%0.286SS..  trans-57.2115-174.5-177.8-0.6000111.3L171 E175 T176L171-D173 PolarHBondContact O-N 2.96Å; L171-D173 VanDerWaalsContact O-N 3.13Å; D173-E175 WeakPolarHBondContact OD1-CA 3.41Å; D173-E175 WeakPolarHBondContact OD1-CB 3.36Å; D173-E175 PolarHBondContact OD1-N 3.05Å; D173-T176 PolarHBondContact OD1-N 3.29Å; D173-T176 WeakPolarHBondContact OD2-CB 3.04Å; D173-T176 PolarHBondContact OD2-OG1 2.96Å
174V68.9Low79.1Confident10 Ų1059.3 Ų59.36%0.06128%0.282CS..SBendtrans-91.4-29.5178.5-164.70000110.4P172 A177 F178 H252P172-V174 VanDerWaalsContact O-CG2 3.31Å; P172-V174 WeakPolarHBondContact O-CG2 3.37Å; P172-V174 PolarHBondContact O-N 2.88Å; V174-A177 CarbonylContact O-C 3.54Å; V174-A177 WeakPolarHBondContact O-CA 3.22Å; V174-A177 WeakPolarHBondContact O-CB 3.39Å; V174-A177 PolarHBondContact O-N 3.37Å; V174-A177 VanDerWaalsContact O-N 3.08Å; V174-F178 HydrophobicContact CB-CD2 4.49Å; V174-F178 HydrophobicContact CB-CE2 4.43Å; V174-F178 HydrophobicContact CG1-CD2 3.7Å; V174-F178 HydrophobicContact CG1-CE2 3.36Å; V174-F178 HydrophobicContact CG1-CZ 4.32Å; V174-F178 WeakPolarHBondContact O-CD2 3.43Å; V174-F178 PolarHBondContact O-N 2.88Å; V174-H252 HydrophobicContact CG1-CB 3.61Å; V174-H252 VanDerWaalsContact CG1-CD2 3.46Å; V174-H252 WeakPolarHBondContact CG1-CD2 3.35Å; V174-H252 HydrophobicContact CG2-CB 4.47Å
175E64.6Low78.9Confident144 Ų14464.2 Ų64.267%0.67330%0.302SS*.Hα-helixtrans-67.2-43.4-178.7-65.2-168169.700111.5D173 A177 F178 R179D173-E175 WeakPolarHBondContact OD1-CA 3.41Å; D173-E175 WeakPolarHBondContact OD1-CB 3.36Å; D173-E175 PolarHBondContact OD1-N 3.05Å; E175-A177 PolarHBondContact O-N 3.11Å; E175-F178 PolarHBondContact O-N 3.37Å; E175-R179 WeakPolarHBondContact O-CG 3.3Å; E175-R179 PolarHBondContact O-N 3.42Å
176T59.1Low78.8Confident57 Ų5764.5 Ų64.535%0.3531%0.305SS..Hα-helixtrans-64.7-29.7172.1-63.60000111.6D173 R179D173-T176 PolarHBondContact OD1-N 3.29Å; D173-T176 WeakPolarHBondContact OD2-CB 3.04Å; D173-T176 PolarHBondContact OD2-OG1 2.96Å; T176-R179 WeakPolarHBondContact O-CB 3.45Å; T176-R179 PolarHBondContact O-N 3.49Å
177A51.3Low78.9Confident0 Ų060.6 Ų60.60%029%0.287CS..Hα-helixtrans-67.9-38.2174.100000111.9V174 E175 R179 S180 L245 T249V174-A177 CarbonylContact O-C 3.54Å; V174-A177 WeakPolarHBondContact O-CA 3.22Å; V174-A177 WeakPolarHBondContact O-CB 3.39Å; V174-A177 PolarHBondContact O-N 3.37Å; V174-A177 VanDerWaalsContact O-N 3.08Å; E175-A177 PolarHBondContact O-N 3.11Å; A177-R179 VanDerWaalsContact C-N 3.35Å; A177-S180 PolarHBondContact O-N 3.15Å; A177-L245 HydrophobicContact CB-CD1 4.1Å; A177-L245 HydrophobicContact CB-CG 4.36Å; A177-T249 WeakPolarHBondContact CB-OG1 3.38Å
178F54.5Low79Confident67 Ų6762 Ų6229%0.29429%0.294SS..Hα-helixtrans-71-22.2172.6-79.1-67.3000114.2V174 E175 S180 E184 H252V174-F178 HydrophobicContact CB-CD2 4.49Å; V174-F178 HydrophobicContact CB-CE2 4.43Å; V174-F178 HydrophobicContact CG1-CD2 3.7Å; V174-F178 HydrophobicContact CG1-CE2 3.36Å; V174-F178 HydrophobicContact CG1-CZ 4.32Å; V174-F178 WeakPolarHBondContact O-CD2 3.43Å; V174-F178 PolarHBondContact O-N 2.88Å; E175-F178 PolarHBondContact O-N 3.37Å; F178-S180 PolarHBondContact O-N 3.44Å; F178-S180 VanDerWaalsContact O-N 3.16Å; F178-E184 VanDerWaalsContact CD1-CD 3.44Å; F178-E184 HydrophobicContact CD1-CG 3.83Å; F178-E184 HydrophobicContact CE1-CG 3.95Å; F178-H252 AromaticContact CE2-CD2 3.49Å; F178-H252 VanDerWaalsContact CE2-CD2 3.49Å; F178-H252 WeakPolarHBondContact CE2-CD2 3.46Å; F178-H252 AromaticContact CE2-NE2 3.55Å; F178-H252 AromaticContact CZ-CD2 3.37Å; F178-H252 WeakPolarHBondContact CZ-CD2 3.35Å; F178-H252 AromaticContact CZ-NE2 3.61Å
179R60.3Low79.2Confident195 Ų19565.6 Ų65.674%0.73631%0.307SS*.THydrogen-bonded Turntrans-61.7-23.1173.7-70.4178.1-173.4179.22.7112.3E175 T176 A177 Q181E175-R179 WeakPolarHBondContact O-CG 3.3Å; E175-R179 PolarHBondContact O-N 3.42Å; T176-R179 WeakPolarHBondContact O-CB 3.45Å; T176-R179 PolarHBondContact O-N 3.49Å; A177-R179 VanDerWaalsContact C-N 3.35Å; R179-Q181 PolarHBondContact O-N 2.98Å
180S70.4Confident79.4Confident39 Ų3962 Ų6227%0.27329%0.287SS..  trans-9183.2171.1-167.20000111.6A177 F178 R182 I183 E184A177-S180 PolarHBondContact O-N 3.15Å; F178-S180 PolarHBondContact O-N 3.44Å; F178-S180 VanDerWaalsContact O-N 3.16Å; S180-R182 PolarHBondContact O-N 2.95Å; S180-I183 PolarHBondContact O-N 3.23Å; S180-I183 WeakPolarHBondContact OG-CG1 3.37Å; S180-E184 PolarHBondContact O-N 3.47Å; S180-E184 VanDerWaalsContact O-N 3.11Å
181Q79.3Confident79.6Confident126 Ų12659.8 Ų59.859%0.58928%0.279SS*.Hα-helixtrans-51.5-26.7175.2-67.9-175.2400113.2R179 K185R179-Q181 PolarHBondContact O-N 2.98Å; Q181-K185 VanDerWaalsContact O-CB 3.28Å; Q181-K185 WeakPolarHBondContact O-CB 3.13Å; Q181-K185 WeakPolarHBondContact O-CD 3.33Å; Q181-K185 WeakPolarHBondContact O-CG 3.34Å; Q181-K185 PolarHBondContact O-N 2.85Å; Q181-K185 VanDerWaalsContact O-N 3.11Å
182R84.1Confident79.9Confident116 Ų11661.9 Ų61.944%0.43829%0.29SS..Hα-helixtrans-67.4-49.7176.4-178.3179.7174.7-163.3-6.4111.3S180 K185 A186 E231 I232S180-R182 PolarHBondContact O-N 2.95Å; R182-K185 PolarHBondContact O-N 2.95Å; R182-A186 WeakPolarHBondContact O-CB 3.34Å; R182-A186 PolarHBondContact O-N 2.81Å; R182-E231 PolarHBondContact NH2-O 3.36Å; R182-I232 PolarHBondContact NH2-O 3.36Å; R182-I232 VanDerWaalsContact NH2-O 3.15Å
183I86.8Confident80.3Confident5 Ų561.5 Ų61.53%0.02629%0.286CS..Hα-helixtrans-64.5-48.9-179-61.1-179.8000109.4S180 K185 A186 V187 I232 L245 V246 T249S180-I183 PolarHBondContact O-N 3.23Å; S180-I183 WeakPolarHBondContact OG-CG1 3.37Å; I183-K185 VanDerWaalsContact C-N 3.32Å; I183-K185 PolarHBondContact O-N 3.41Å; I183-A186 PolarHBondContact O-N 2.99Å; I183-A186 VanDerWaalsContact O-N 3.14Å; I183-V187 HydrophobicContact CG2-CG2 4.18Å; I183-V187 WeakPolarHBondContact O-CG2 3.45Å; I183-V187 PolarHBondContact O-N 3.31Å; I183-I232 HydrophobicContact CB-CD1 4.2Å; I183-I232 HydrophobicContact CG1-CD1 3.72Å; I183-I232 HydrophobicContact CG1-CG1 4.46Å; I183-I232 HydrophobicContact CG2-CD1 4.14Å; I183-L245 HydrophobicContact CD1-CB 4.32Å; I183-L245 HydrophobicContact CD1-CD2 3.72Å; I183-L245 HydrophobicContact CD1-CG 4.21Å; I183-V246 HydrophobicContact CD1-CG2 4.27Å; I183-V246 HydrophobicContact CG2-CB 4.48Å; I183-V246 HydrophobicContact CG2-CG2 3.94Å; I183-T249 HydrophobicContact CG2-CG2 4.08Å
184E88.3Confident81.1Confident56 Ų5659 Ų5926%0.26227%0.274SS..Hα-helixtrans-55.4-46178.5-172.8-164.6168.100112.1F178 S180 N188 I253F178-E184 VanDerWaalsContact CD1-CD 3.44Å; F178-E184 HydrophobicContact CD1-CG 3.83Å; F178-E184 HydrophobicContact CE1-CG 3.95Å; S180-E184 PolarHBondContact O-N 3.47Å; S180-E184 VanDerWaalsContact O-N 3.11Å; E184-N188 WeakPolarHBondContact O-CB 3.2Å; E184-N188 PolarHBondContact O-N 3.03Å; E184-N188 PolarHBondContact O-ND2 3.45Å; E184-I253 HydrophobicContact CG-CD1 4.12Å
185K89.7Confident82.1Confident135 Ų13562.9 Ų62.959%0.58729%0.293SS*.Hα-helixtrans-63.8-42.4177.2-77171.2-174.1171.40112.4Q181 R182 I183 K189Q181-K185 VanDerWaalsContact O-CB 3.28Å; Q181-K185 WeakPolarHBondContact O-CB 3.13Å; Q181-K185 WeakPolarHBondContact O-CD 3.33Å; Q181-K185 WeakPolarHBondContact O-CG 3.34Å; Q181-K185 PolarHBondContact O-N 2.85Å; Q181-K185 VanDerWaalsContact O-N 3.11Å; R182-K185 PolarHBondContact O-N 2.95Å; I183-K185 VanDerWaalsContact C-N 3.32Å; I183-K185 PolarHBondContact O-N 3.41Å; K185-K189 VanDerWaalsContact O-CB 3.29Å; K185-K189 WeakPolarHBondContact O-CB 3.43Å; K185-K189 PolarHBondContact O-N 3.21Å
186A91.3Very high83.4Confident7 Ų760.9 Ų60.96%0.05829%0.287CS..Hα-helixtrans-64.9-45.6179.100000111.4R182 I183 K189 F190 V228R182-A186 WeakPolarHBondContact O-CB 3.34Å; R182-A186 PolarHBondContact O-N 2.81Å; I183-A186 PolarHBondContact O-N 2.99Å; I183-A186 VanDerWaalsContact O-N 3.14Å; A186-K189 PolarHBondContact O-N 3.03Å; A186-F190 WeakPolarHBondContact O-CB 3.22Å; A186-F190 PolarHBondContact O-N 3.05Å; A186-V228 HydrophobicContact CB-CG1 3.92Å
187V92.9Very high84.8Confident0 Ų061.2 Ų61.20%030%0.301CS..Hα-helixtrans-61.6-49.2175.4173.80000111.1I183 K189 F190 V191 V228 T249 F250 I253I183-V187 HydrophobicContact CG2-CG2 4.18Å; I183-V187 WeakPolarHBondContact O-CG2 3.45Å; I183-V187 PolarHBondContact O-N 3.31Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 2.73Å; V187-F190 PolarHBondContact O-N 3.27Å; V187-V191 HydrophobicContact CG1-CG2 4.26Å; V187-V191 WeakPolarHBondContact O-CG2 3.37Å; V187-V191 PolarHBondContact O-N 3.25Å; V187-V228 HydrophobicContact CG2-CG1 3.87Å; V187-V228 HydrophobicContact CG2-CG2 4.48Å; V187-T249 HydrophobicContact CB-CG2 4.33Å; V187-T249 HydrophobicContact CG2-CG2 4.03Å; V187-F250 HydrophobicContact CB-CD2 4.48Å; V187-F250 HydrophobicContact CG1-CB 4.22Å; V187-F250 HydrophobicContact CG1-CD2 3.84Å; V187-F250 HydrophobicContact CG1-CE2 4.44Å; V187-F250 HydrophobicContact CG1-CG 4.14Å; V187-F250 HydrophobicContact CG2-CB 4.36Å; V187-F250 HydrophobicContact CG2-CD2 4.11Å; V187-I253 HydrophobicContact CB-CD1 3.98Å; V187-I253 HydrophobicContact CG1-CB 3.91Å; V187-I253 HydrophobicContact CG1-CD1 3.63Å; V187-I253 HydrophobicContact CG1-CG1 4.3Å; V187-I253 HydrophobicContact CG1-CG2 4.1Å
188N93.6Very high86.7Confident40 Ų4068 Ų6821%0.21433%0.331CS..Hα-helixtrans-57.5-47.4178.7-90.9-63.7000111.8E184 F190 V191 D192 R257E184-N188 WeakPolarHBondContact O-CB 3.2Å; E184-N188 PolarHBondContact O-N 3.03Å; E184-N188 PolarHBondContact O-ND2 3.45Å; N188-F190 VanDerWaalsContact C-N 3.34Å; N188-F190 PolarHBondContact O-N 2.97Å; N188-V191 PolarHBondContact O-N 3.13Å; N188-D192 WeakPolarHBondContact O-CB 3.3Å; N188-D192 PolarHBondContact O-N 2.87Å; N188-R257 PolarHBondContact OD1-NH1 2.84Å; N188-R257 VanDerWaalsContact OD1-NH1 3.15Å
189K94.8Very high88.3Confident118 Ų11867 Ų6751%0.51333%0.328SS..Hα-helixtrans-58.1-46.8176.4179-173.8170.1-160.60111.3K185 A186 V187 D192 D193K185-K189 VanDerWaalsContact O-CB 3.29Å; K185-K189 WeakPolarHBondContact O-CB 3.43Å; K185-K189 PolarHBondContact O-N 3.21Å; A186-K189 PolarHBondContact O-N 3.03Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 2.73Å; K189-D192 PolarHBondContact O-N 2.84Å; K189-D193 WeakPolarHBondContact O-CB 3.39Å; K189-D193 VanDerWaalsContact O-CG 3.28Å; K189-D193 PolarHBondContact O-N 2.61Å
190F95.6Very high89.6Confident15 Ų1566.5 Ų66.57%0.06633%0.326CS..Hα-helixtrans-59.9-49.6178.4-177.7-82.2000111.5A186 V187 N188 D192 D193 V194 I199 I201 Y223 V228 F250A186-F190 WeakPolarHBondContact O-CB 3.22Å; A186-F190 PolarHBondContact O-N 3.05Å; V187-F190 PolarHBondContact O-N 3.27Å; N188-F190 VanDerWaalsContact C-N 3.34Å; N188-F190 PolarHBondContact O-N 2.97Å; F190-D192 VanDerWaalsContact C-N 3.32Å; F190-D192 PolarHBondContact O-N 2.78Å; F190-D193 PolarHBondContact O-N 2.86Å; F190-V194 HydrophobicContact CD1-CG2 4Å; F190-V194 HydrophobicContact CE1-CG2 3.43Å; F190-V194 VanDerWaalsContact CE1-CG2 3.43Å; F190-V194 HydrophobicContact CZ-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.32Å; F190-V194 PolarHBondContact O-N 2.82Å; F190-I199 HydrophobicContact CD2-CD1 3.73Å; F190-I199 HydrophobicContact CE2-CD1 3.75Å; F190-I199 HydrophobicContact CE2-CG2 4.42Å; F190-I199 HydrophobicContact CG-CD1 4.32Å; F190-I199 HydrophobicContact CZ-CD1 4.34Å; F190-I201 HydrophobicContact CZ-CD1 4.05Å; F190-Y223 HydrophobicContact CE2-CD1 4.06Å; F190-Y223 AromaticContact CE2-CE1 4Å; F190-Y223 HydrophobicContact CE2-CE1 4Å; F190-Y223 AromaticContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CE1 4.13Å; F190-V228 HydrophobicContact CB-CG2 3.87Å; F190-V228 HydrophobicContact CD2-CG2 4.34Å; F190-V228 HydrophobicContact CG-CG2 4.13Å; F190-F250 AromaticContact CD1-CE2 3.47Å; F190-F250 HydrophobicContact CD1-CE2 3.47Å; F190-F250 VanDerWaalsContact CD1-CE2 3.47Å; F190-F250 AromaticContact CD1-CZ 3.57Å; F190-F250 HydrophobicContact CD1-CZ 3.57Å; F190-F250 AromaticContact CE1-CE2 3.95Å; F190-F250 HydrophobicContact CE1-CE2 3.95Å; F190-F250 AromaticContact CE1-CZ 3.71Å; F190-F250 HydrophobicContact CE1-CZ 3.71Å; F190-F250 HydrophobicContact CG-CE2 4.17Å
191V94.8Very high90.6Very high1 Ų165.1 Ų65.11%0.00632%0.316CS..Hα-helixtrans-61.2-41.9179.3172.80000111V187 N188 V194 I195 F250 I253 Y254 V258V187-V191 HydrophobicContact CG1-CG2 4.26Å; V187-V191 WeakPolarHBondContact O-CG2 3.37Å; V187-V191 PolarHBondContact O-N 3.25Å; N188-V191 PolarHBondContact O-N 3.13Å; V191-V194 PolarHBondContact O-N 3.45Å; V191-I195 HydrophobicContact CG1-CD1 3.77Å; V191-I195 HydrophobicContact CG1-CG1 4.45Å; V191-I195 VanDerWaalsContact O-CG1 3.29Å; V191-I195 WeakPolarHBondContact O-CG1 3.4Å; V191-I195 PolarHBondContact O-N 2.8Å; V191-F250 HydrophobicContact CG2-CE1 4.5Å; V191-F250 HydrophobicContact CG2-CE2 4.43Å; V191-F250 HydrophobicContact CG2-CZ 4.13Å; V191-I253 HydrophobicContact CG2-CG2 4.25Å; V191-Y254 HydrophobicContact CG2-CD2 4.25Å; V191-V258 HydrophobicContact CG1-CG2 4.38Å
192D95.3Very high91Very high51 Ų5162.1 Ų62.127%0.27331%0.307SS..Hα-helixtrans-61.9-43.9174.5-81.4-42.5000112.5N188 K189 F190 V194 I195 N196 R257N188-D192 WeakPolarHBondContact O-CB 3.3Å; N188-D192 PolarHBondContact O-N 2.87Å; K189-D192 PolarHBondContact O-N 2.84Å; F190-D192 VanDerWaalsContact C-N 3.32Å; F190-D192 PolarHBondContact O-N 2.78Å; D192-V194 VanDerWaalsContact C-N 3.3Å; D192-V194 PolarHBondContact O-N 3.03Å; D192-I195 PolarHBondContact O-N 3.47Å; D192-N196 VanDerWaalsContact O-CB 3.28Å; D192-N196 WeakPolarHBondContact O-CB 3.4Å; D192-N196 VanDerWaalsContact O-CG 3.26Å; D192-N196 PolarHBondContact O-N 3.36Å; D192-N196 PolarHBondContact O-ND2 2.95Å; D192-R257 VanDerWaalsContact CG-NH1 3.26Å; D192-R257 IonicContact OD1-CZ 3.4Å; D192-R257 IonicContact OD1-NH1 2.96Å; D192-R257 PolarHBondContact OD1-NH1 3.31Å; D192-R257 VanDerWaalsContact OD1-NH1 3.15Å; D192-R257 IonicContact OD1-NH2 3.36Å; D192-R257 PolarHBondContact OD1-NH2 3.01Å; D192-R257 IonicContact OD2-CZ 2.97Å; D192-R257 IonicContact OD2-NH1 3.06Å; D192-R257 PolarHBondContact OD2-NH1 3.09Å; D192-R257 IonicContact OD2-NH2 3.48Å
193D94.8Very high91.1Very high30 Ų3061.3 Ų61.316%0.1631%0.312CS..Hα-helixtrans-69.4-29.9-179.9-72.3-20.9000111.8K189 F190 G197 K198 I199K189-D193 WeakPolarHBondContact O-CB 3.39Å; K189-D193 VanDerWaalsContact O-CG 3.28Å; K189-D193 PolarHBondContact O-N 2.61Å; F190-D193 PolarHBondContact O-N 2.86Å; D193-G197 PolarHBondContact O-N 3.26Å; D193-K198 HydrophobicContact CB-CB 4.12Å; D193-K198 HydrophobicContact CB-CD 4.27Å; D193-K198 WeakPolarHBondContact O-CB 3.42Å; D193-K198 PolarHBondContact O-N 2.77Å; D193-K198 WeakPolarHBondContact OD1-CD 3.39Å; D193-K198 IonicContact OD1-NZ 2.73Å; D193-K198 PolarHBondContact OD1-NZ 3.32Å; D193-I199 HydrophobicContact CB-CD1 3.48Å; D193-I199 VanDerWaalsContact CB-CD1 3.48Å; D193-I199 HydrophobicContact CB-CG1 3.8Å; D193-I199 PolarHBondContact O-N 3.16Å
194V93Very high91.1Very high28 Ų2863.6 Ų63.617%0.1732%0.323CS..Hα-helixtrans-68.5-50.1169.6172.40000111.6F190 V191 D192 N196 G197 I199 I201 I220F190-V194 HydrophobicContact CD1-CG2 4Å; F190-V194 HydrophobicContact CE1-CG2 3.43Å; F190-V194 VanDerWaalsContact CE1-CG2 3.43Å; F190-V194 HydrophobicContact CZ-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.32Å; F190-V194 PolarHBondContact O-N 2.82Å; V191-V194 PolarHBondContact O-N 3.45Å; D192-V194 VanDerWaalsContact C-N 3.3Å; D192-V194 PolarHBondContact O-N 3.03Å; V194-N196 PolarHBondContact O-N 3.47Å; V194-G197 PolarHBondContact O-N 3.28Å; V194-I199 HydrophobicContact CG2-CB 4.32Å; V194-I199 HydrophobicContact CG2-CD1 4.34Å; V194-I201 HydrophobicContact CG2-CD1 4.06Å; V194-I220 HydrophobicContact CG1-CD1 4.21Å; V194-I220 HydrophobicContact CG1-CG1 4.42Å; V194-I220 HydrophobicContact CG1-CG2 4.08Å
195I90Very high90.8Very high91 Ų9167 Ų6747%0.46734%0.34SS..Hα-helixtrans-59.6-37.3179.6-69.2167.2000111V191 D192 G197 V258V191-I195 HydrophobicContact CG1-CD1 3.77Å; V191-I195 HydrophobicContact CG1-CG1 4.45Å; V191-I195 VanDerWaalsContact O-CG1 3.29Å; V191-I195 WeakPolarHBondContact O-CG1 3.4Å; V191-I195 PolarHBondContact O-N 2.8Å; D192-I195 PolarHBondContact O-N 3.47Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.11Å; I195-V258 HydrophobicContact CD1-CG2 4.23Å
196N92.4Very high90.6Very high101 Ų10167.2 Ų67.254%0.5434%0.342SS..THydrogen-bonded Turntrans-84.13.2178.5-66.7-56000113.7D192 V194 K198D192-N196 VanDerWaalsContact O-CB 3.28Å; D192-N196 WeakPolarHBondContact O-CB 3.4Å; D192-N196 VanDerWaalsContact O-CG 3.26Å; D192-N196 PolarHBondContact O-N 3.36Å; D192-N196 PolarHBondContact O-ND2 2.95Å; V194-N196 PolarHBondContact O-N 3.47Å; N196-K198 VanDerWaalsContact C-N 3.28Å; N196-K198 HydrophobicContact CB-CD 4.31Å; N196-K198 HydrophobicContact CB-CG 4.2Å; N196-K198 PolarHBondContact O-N 3.21Å
197G88.1Confident90.2Very high64 Ų6468.8 Ų68.866%0.6635%0.351SS*.THydrogen-bonded Turntrans67.322.4177.500000114.9D193 V194 I195D193-G197 PolarHBondContact O-N 3.26Å; V194-G197 PolarHBondContact O-N 3.28Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.11Å
198K91.1Very high89.7Confident144 Ų14473.6 Ų73.663%0.62638%0.377SS*.  trans-84.5-20.2-179.9-63.5172-172.8168.30113.2D193 N196D193-K198 HydrophobicContact CB-CB 4.12Å; D193-K198 HydrophobicContact CB-CD 4.27Å; D193-K198 WeakPolarHBondContact O-CB 3.42Å; D193-K198 PolarHBondContact O-N 2.77Å; D193-K198 WeakPolarHBondContact OD1-CD 3.39Å; D193-K198 IonicContact OD1-NZ 2.73Å; D193-K198 PolarHBondContact OD1-NZ 3.32Å; N196-K198 VanDerWaalsContact C-N 3.28Å; N196-K198 HydrophobicContact CB-CD 4.31Å; N196-K198 HydrophobicContact CB-CG 4.2Å; N196-K198 PolarHBondContact O-N 3.21Å
199I88.8Confident89.1Confident46 Ų4678 Ų7824%0.23640%0.396CS..SBendtrans-107.2129.4178.1-66.9169.9000109F190 D193 V194 I201 Y223F190-I199 HydrophobicContact CD2-CD1 3.73Å; F190-I199 HydrophobicContact CE2-CD1 3.75Å; F190-I199 HydrophobicContact CE2-CG2 4.42Å; F190-I199 HydrophobicContact CG-CD1 4.32Å; F190-I199 HydrophobicContact CZ-CD1 4.34Å; D193-I199 HydrophobicContact CB-CD1 3.48Å; D193-I199 VanDerWaalsContact CB-CD1 3.48Å; D193-I199 HydrophobicContact CB-CG1 3.8Å; D193-I199 PolarHBondContact O-N 3.16Å; V194-I199 HydrophobicContact CG2-CB 4.32Å; V194-I199 HydrophobicContact CG2-CD1 4.34Å; I199-I201 HydrophobicContact CG2-CD1 3.86Å; I199-Y223 HydrophobicContact CG2-CE1 3.89Å
200R87.5Confident88.4Confident184 Ų18482.1 Ų82.169%0.69441%0.414SS*.  trans-87115.2168.5-171.2178.3-177.9-162.1-0.8108.9E205R200-E205 IonicContact CZ-OE2 3.06Å; R200-E205 IonicContact NE-OE2 2.8Å; R200-E205 VanDerWaalsContact NH2-CD 3.32Å; R200-E205 IonicContact NH2-OE1 2.65Å; R200-E205 PolarHBondContact NH2-OE1 3.26Å; R200-E205 VanDerWaalsContact NH2-OE1 3.15Å; R200-E205 IonicContact NH2-OE2 3.63Å; R200-E205 PolarHBondContact NH2-OE2 3.1Å
201I90Very high87.5Confident9 Ų985.2 Ų85.25%0.04644%0.443CS..  trans-83.2127.8175.3-54.8-66.3000108.5F190 V194 I199 L204 L219 I220 Y223F190-I201 HydrophobicContact CZ-CD1 4.05Å; V194-I201 HydrophobicContact CG2-CD1 4.06Å; I199-I201 HydrophobicContact CG2-CD1 3.86Å; I201-L204 HydrophobicContact CB-CB 3.99Å; I201-L204 HydrophobicContact CB-CD2 3.94Å; I201-L204 HydrophobicContact CG1-CD2 4.22Å; I201-L204 HydrophobicContact CG2-CB 4.2Å; I201-L204 WeakPolarHBondContact O-CB 3.49Å; I201-L219 HydrophobicContact CG2-CB 4.18Å; I201-I220 HydrophobicContact CG1-CG1 4.16Å; I201-Y223 HydrophobicContact CD1-CD1 3.39Å; I201-Y223 HydrophobicContact CD1-CE1 3.93Å; I201-Y223 HydrophobicContact CD1-CG 4.25Å
202P88.5Confident87.1Confident63 Ų6388.5 Ų88.541%0.40946%0.46SS..THydrogen-bonded Turntrans-55.6144.8174.6-25.235000112.1L204 Y223P202-L204 PolarHBondContact O-N 2.65Å; P202-Y223 VanDerWaalsContact CD-CD2 3.49Å; P202-Y223 HydrophobicContact CG-CD2 3.78Å; P202-Y223 HydrophobicContact CG-CE2 3.7Å
203D86Confident86.8Confident100 Ų10089.4 Ų89.454%0.53546%0.462SS..THydrogen-bonded Turntrans61.2-4.3176.1-54.4-42.3000117.1E205 H206 L219D203-E205 PolarHBondContact O-N 2.71Å; D203-H206 PolarHBondContact O-N 3.4Å; D203-H206 VanDerWaalsContact O-N 3.11Å; D203-H206 IonicContact OD1-ND1 2.81Å; D203-L219 HydrophobicContact CB-CD1 4.42Å
204L86.9Confident86.7Confident52 Ų5289 Ų8927%0.27246%0.459SS..G310 helixtrans-63.2-30.8-178.9-173.465.1000112.6I201 P202 H206 V207 V216 L219I201-L204 HydrophobicContact CB-CB 3.99Å; I201-L204 HydrophobicContact CB-CD2 3.94Å; I201-L204 HydrophobicContact CG1-CD2 4.22Å; I201-L204 HydrophobicContact CG2-CB 4.2Å; I201-L204 WeakPolarHBondContact O-CB 3.49Å; P202-L204 PolarHBondContact O-N 2.65Å; L204-H206 PolarHBondContact O-N 2.73Å; L204-V207 PolarHBondContact O-N 3.02Å; L204-V216 HydrophobicContact CD1-CB 3.94Å; L204-V216 HydrophobicContact CD1-CG1 3.63Å; L204-V216 HydrophobicContact CD1-CG2 3.79Å; L204-L219 HydrophobicContact CD1-CD1 4.35Å
205E82.9Confident86.7Confident128 Ų12889.4 Ų89.460%0.59846%0.463SS*.G310 helixtrans-67.1-15.4177.765.6-164.2-179.700114.3R200 D203R200-E205 IonicContact CZ-OE2 3.06Å; R200-E205 IonicContact NE-OE2 2.8Å; R200-E205 VanDerWaalsContact NH2-CD 3.32Å; R200-E205 IonicContact NH2-OE1 2.65Å; R200-E205 PolarHBondContact NH2-OE1 3.26Å; R200-E205 VanDerWaalsContact NH2-OE1 3.15Å; R200-E205 IonicContact NH2-OE2 3.63Å; R200-E205 PolarHBondContact NH2-OE2 3.1Å; D203-E205 PolarHBondContact O-N 2.71Å
206H84Confident86.8Confident139 Ų13985.9 Ų85.964%0.64445%0.445SS*.G310 helixtrans-93.9-4.2178.4-54.3111.6000113D203 L204D203-H206 PolarHBondContact O-N 3.4Å; D203-H206 VanDerWaalsContact O-N 3.11Å; D203-H206 IonicContact OD1-ND1 2.81Å; L204-H206 PolarHBondContact O-N 2.73Å
207V84.4Confident86.9Confident41 Ų4181.8 Ų81.825%0.24842%0.423CS..SBendtrans-99.7123.9-178.5-175.70000109.7L204 E209 V216 L219L204-V207 PolarHBondContact O-N 3.02Å; V207-E209 PolarHBondContact O-N 2.79Å; V207-V216 HydrophobicContact CB-CG2 4.26Å; V207-V216 HydrophobicContact CG1-CG2 3.77Å; V207-L219 HydrophobicContact CG2-CD1 3.68Å
208D82.3Confident87.2Confident100 Ų10083.5 Ų83.554%0.53541%0.409SS..  trans-78.2100.2167.4-178.14.7000109.3K210 A211 D212D208-K210 PolarHBondContact O-N 3.02Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-K210 WeakPolarHBondContact OD1-CB 3.03Å; D208-K210 PolarHBondContact OD1-N 2.76Å; D208-A211 HydrophobicContact CB-CB 3.99Å; D208-A211 PolarHBondContact O-N 3.43Å; D208-D212 PolarHBondContact O-N 3.42Å
209E81.1Confident87.3Confident134 Ų13478.2 Ų78.263%0.62639%0.388SS*.THydrogen-bonded Turntrans-53.8-30.9178.4-174.6-178.7178.300112.8V207 A211 K213 V216V207-E209 PolarHBondContact O-N 2.79Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-K213 PolarHBondContact O-N 3.34Å; E209-V216 HydrophobicContact CB-CG2 4.14Å; E209-V216 HydrophobicContact CG-CG2 4.23Å
210K78.3Confident87.6Confident203 Ų20376.6 Ų76.688%0.88338%0.38SS*.THydrogen-bonded Turntrans-74.8-27.1179.8-63.1-178.2-179.3177.30112.4D208D208-K210 PolarHBondContact O-N 3.02Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-K210 WeakPolarHBondContact OD1-CB 3.03Å; D208-K210 PolarHBondContact OD1-N 2.76Å
211A78.1Confident88Confident81 Ų8168.5 Ų68.567%0.66935%0.349SS*.THydrogen-bonded Turntrans-89.9-38.1178.400000111.8D208 E209D208-A211 HydrophobicContact CB-CB 3.99Å; D208-A211 PolarHBondContact O-N 3.43Å; E209-A211 VanDerWaalsContact C-N 3.33Å
212D85.2Confident88.2Confident69 Ų6972 Ų7237%0.36937%0.367SS..  trans-147.479.2-178.1-173.40.6000112.5D208 F214 S215D208-D212 PolarHBondContact O-N 3.42Å; D212-F214 PolarHBondContact O-N 3.36Å; D212-F214 PolarHBondContact OD1-N 3.04Å; D212-S215 VanDerWaalsContact CG-OG 3.28Å; D212-S215 PolarHBondContact O-N 3.37Å; D212-S215 PolarHBondContact OD1-N 3.39Å; D212-S215 VanDerWaalsContact OD2-CB 3.22Å; D212-S215 WeakPolarHBondContact OD2-CB 3.29Å; D212-S215 PolarHBondContact OD2-OG 2.94Å
213K90.4Very high88.5Confident70 Ų7072.4 Ų72.430%0.30436%0.361SS..Hα-helixtrans-60.9-26.8175.371.7171.7-172.51680113.4E209 V216 H217 E262E209-K213 PolarHBondContact O-N 3.34Å; K213-V216 WeakPolarHBondContact O-CB 3.33Å; K213-V216 PolarHBondContact O-N 3.34Å; K213-H217 PolarHBondContact O-CD2 3.27Å; K213-H217 PolarHBondContact O-N 2.86Å; K213-E262 IonicContact NZ-OE2 2.7Å; K213-E262 PolarHBondContact NZ-OE2 2.73Å
214F92.5Very high88.9Confident23 Ų2367.7 Ų67.710%0.10134%0.336CS..Hα-helixtrans-78.1-28.8-175.7-67.8-78.9000112.4D212 V216 H217 R218 T271 L272 L276 A279D212-F214 PolarHBondContact O-N 3.36Å; D212-F214 PolarHBondContact OD1-N 3.04Å; F214-V216 VanDerWaalsContact C-N 3.29Å; F214-V216 PolarHBondContact O-N 2.97Å; F214-H217 PolarHBondContact O-N 3.47Å; F214-R218 WeakPolarHBondContact O-CB 3.27Å; F214-R218 PolarHBondContact O-N 2.9Å; F214-T271 WeakPolarHBondContact CZ-O 3.36Å; F214-L272 HydrophobicContact CE1-CD1 3.91Å; F214-L272 HydrophobicContact CZ-CD1 4.47Å; F214-L276 HydrophobicContact CD1-CD2 4.3Å; F214-L276 HydrophobicContact CD1-CG 4.49Å; F214-L276 HydrophobicContact CE1-CG 4.4Å; F214-A279 HydrophobicContact CB-CB 3.98Å
215S91.4Very high89.3Confident36 Ų3665.6 Ų65.625%0.25233%0.325SS..Hα-helixtrans-61.4-36.7167.2-81.20000112.7D212 R218 L219D212-S215 VanDerWaalsContact CG-OG 3.28Å; D212-S215 PolarHBondContact O-N 3.37Å; D212-S215 PolarHBondContact OD1-N 3.39Å; D212-S215 VanDerWaalsContact OD2-CB 3.22Å; D212-S215 WeakPolarHBondContact OD2-CB 3.29Å; D212-S215 PolarHBondContact OD2-OG 2.94Å; S215-R218 WeakPolarHBondContact O-CB 3.16Å; S215-R218 PolarHBondContact O-N 3.4Å; S215-L219 WeakPolarHBondContact O-CG 3.29Å; S215-L219 PolarHBondContact O-N 2.91Å
216V92.1Very high89.7Confident16 Ų1662.9 Ų62.910%0.09732%0.315CS..Hα-helixtrans-61.1-52.3173.3168.70000110.8L204 V207 E209 K213 F214 R218 L219 I220L204-V216 HydrophobicContact CD1-CB 3.94Å; L204-V216 HydrophobicContact CD1-CG1 3.63Å; L204-V216 HydrophobicContact CD1-CG2 3.79Å; V207-V216 HydrophobicContact CB-CG2 4.26Å; V207-V216 HydrophobicContact CG1-CG2 3.77Å; E209-V216 HydrophobicContact CB-CG2 4.14Å; E209-V216 HydrophobicContact CG-CG2 4.23Å; K213-V216 WeakPolarHBondContact O-CB 3.33Å; K213-V216 PolarHBondContact O-N 3.34Å; F214-V216 VanDerWaalsContact C-N 3.29Å; F214-V216 PolarHBondContact O-N 2.97Å; V216-R218 PolarHBondContact O-N 2.72Å; V216-L219 PolarHBondContact O-N 3.11Å; V216-I220 HydrophobicContact CG1-CD1 3.72Å; V216-I220 WeakPolarHBondContact O-CG1 3.42Å; V216-I220 PolarHBondContact O-N 3.06Å
217H94.4Very high90.1Very high16 Ų1657.3 Ų57.37%0.07429%0.292CS..Hα-helixtrans-58.7-38.4177.5-63.6-56.7000112.1K213 F214 I220 F221 Y254 L281K213-H217 PolarHBondContact O-CD2 3.27Å; K213-H217 PolarHBondContact O-N 2.86Å; F214-H217 PolarHBondContact O-N 3.47Å; H217-I220 PolarHBondContact O-N 3.01Å; H217-F221 WeakPolarHBondContact O-CB 3.49Å; H217-F221 PolarHBondContact O-N 2.91Å; H217-Y254 HydrophobicContact CB-CE1 4.4Å; H217-Y254 AromaticContact ND1-CE1 3.86Å; H217-Y254 AromaticContact ND1-CZ 3.82Å; H217-Y254 PolarHBondContact ND1-OH 2.78Å; H217-L281 HydrophobicContact CB-CD1 4.49Å
218R94.9Very high90.4Very high99 Ų9955.4 Ų55.437%0.37428%0.28SS..Hα-helixtrans-61.6-48.2177.5-173.1-175.5178.1-87.1-3.9112.4F214 S215 V216 F221 I222 A279 L281F214-R218 WeakPolarHBondContact O-CB 3.27Å; F214-R218 PolarHBondContact O-N 2.9Å; S215-R218 WeakPolarHBondContact O-CB 3.16Å; S215-R218 PolarHBondContact O-N 3.4Å; V216-R218 PolarHBondContact O-N 2.72Å; R218-F221 PolarHBondContact O-N 3.39Å; R218-I222 HydrophobicContact CG-CD1 3.85Å; R218-I222 WeakPolarHBondContact O-CG1 3.46Å; R218-I222 PolarHBondContact O-N 2.97Å; R218-A279 HydrophobicContact CB-CB 4.37Å; R218-A279 WeakPolarHBondContact CD-O 3.19Å; R218-A279 PolarHBondContact NE-O 2.99Å; R218-L281 HydrophobicContact CB-CD1 3.93Å; R218-L281 HydrophobicContact CB-CD2 4.33Å; R218-L281 HydrophobicContact CB-CG 4.33Å; R218-L281 HydrophobicContact CG-CD1 4.43Å; R218-L281 HydrophobicContact CG-CD2 4.01Å; R218-L281 HydrophobicContact CG-CG 4.3Å
219L94.4Very high90.7Very high34 Ų3451.2 Ų51.218%0.17826%0.259CS..Hα-helixtrans-63.5-45.5179.2-71.2174.9000111.4I201 D203 L204 V207 S215 V216 F221 Y223I201-L219 HydrophobicContact CG2-CB 4.18Å; D203-L219 HydrophobicContact CB-CD1 4.42Å; L204-L219 HydrophobicContact CD1-CD1 4.35Å; V207-L219 HydrophobicContact CG2-CD1 3.68Å; S215-L219 WeakPolarHBondContact O-CG 3.29Å; S215-L219 PolarHBondContact O-N 2.91Å; V216-L219 PolarHBondContact O-N 3.11Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-F221 PolarHBondContact O-N 3.4Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.49Å; L219-Y223 PolarHBondContact O-N 3.11Å
220I95Very high91Very high12 Ų1250.8 Ų50.86%0.06225%0.251CS..Hα-helixtrans-59.5-46.7176.8-66.7165.8000110.5V194 I201 V216 H217 G224 Y254V194-I220 HydrophobicContact CG1-CD1 4.21Å; V194-I220 HydrophobicContact CG1-CG1 4.42Å; V194-I220 HydrophobicContact CG1-CG2 4.08Å; I201-I220 HydrophobicContact CG1-CG1 4.16Å; V216-I220 HydrophobicContact CG1-CD1 3.72Å; V216-I220 WeakPolarHBondContact O-CG1 3.42Å; V216-I220 PolarHBondContact O-N 3.06Å; H217-I220 PolarHBondContact O-N 3.01Å; I220-G224 WeakPolarHBondContact O-CA 3.43Å; I220-G224 PolarHBondContact O-N 2.86Å; I220-Y254 HydrophobicContact CG2-CD2 4.45Å; I220-Y254 HydrophobicContact CG2-CE2 3.6Å
221F95.5Very high91.4Very high13 Ų1345.7 Ų45.76%0.05723%0.231CC..Hα-helixtrans-63.8-49.6-177.3-172.6-91.4000112H217 R218 L219 G224 V225 R247 F250 A251 L281 A283 L284H217-F221 WeakPolarHBondContact O-CB 3.49Å; H217-F221 PolarHBondContact O-N 2.91Å; R218-F221 PolarHBondContact O-N 3.39Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-F221 PolarHBondContact O-N 3.4Å; F221-G224 PolarHBondContact O-N 2.81Å; F221-V225 HydrophobicContact CD1-CG2 4.25Å; F221-V225 HydrophobicContact CE1-CG2 3.87Å; F221-V225 HydrophobicContact CE2-CG2 4.36Å; F221-V225 HydrophobicContact CZ-CG2 3.93Å; F221-V225 WeakPolarHBondContact O-CG2 3.26Å; F221-V225 PolarHBondContact O-N 2.87Å; F221-R247 HydrophobicContact CE1-CG 4.36Å; F221-R247 HydrophobicContact CZ-CG 4.14Å; F221-F250 AromaticContact CD2-CD1 3.63Å; F221-F250 HydrophobicContact CD2-CD1 3.63Å; F221-F250 AromaticContact CD2-CE1 3.99Å; F221-F250 HydrophobicContact CD2-CE1 3.99Å; F221-F250 HydrophobicContact CE2-CB 4.46Å; F221-F250 AromaticContact CE2-CD1 3.69Å; F221-F250 HydrophobicContact CE2-CD1 3.69Å; F221-F250 HydrophobicContact CE2-CE1 4.5Å; F221-F250 HydrophobicContact CE2-CG 4.47Å; F221-A251 HydrophobicContact CE2-CB 3.91Å; F221-A251 HydrophobicContact CZ-CB 4.11Å; F221-L281 HydrophobicContact CB-CD2 4.23Å; F221-L281 HydrophobicContact CD1-CD2 3.87Å; F221-L281 HydrophobicContact CG-CD2 4.2Å; F221-A283 HydrophobicContact CE1-CB 4.44Å; F221-A283 HydrophobicContact CZ-CB 3.9Å; F221-L284 HydrophobicContact CB-CD1 4.47Å; F221-L284 HydrophobicContact CD2-CD1 3.71Å; F221-L284 HydrophobicContact CD2-CD2 4.13Å; F221-L284 HydrophobicContact CD2-CG 3.87Å; F221-L284 HydrophobicContact CE2-CD1 4.22Å; F221-L284 HydrophobicContact CE2-CD2 4.02Å; F221-L284 HydrophobicContact CE2-CG 3.85Å; F221-L284 HydrophobicContact CG-CD1 4.14Å
222I94.3Very high91.7Very high83 Ų8342.5 Ų42.543%0.42620%0.202SC..Hα-helixtrans-62.4-48.8-179.4-68.5170.8000110.4R218 G224 D226R218-I222 HydrophobicContact CG-CD1 3.85Å; R218-I222 WeakPolarHBondContact O-CG1 3.46Å; R218-I222 PolarHBondContact O-N 2.97Å; I222-G224 VanDerWaalsContact C-N 3.33Å; I222-G224 PolarHBondContact O-N 3.4Å; I222-D226 WeakPolarHBondContact O-CB 3.29Å; I222-D226 PolarHBondContact O-N 3.48Å; I222-D226 VanDerWaalsContact O-N 3.12Å
223Y95.1Very high91.2Very high72 Ų7241.4 Ų41.428%0.28220%0.2SC..Hα-helixtrans-66.7-36.8-179.1-179-98.5000112.1F190 I199 I201 P202 L219 S227F190-Y223 HydrophobicContact CE2-CD1 4.06Å; F190-Y223 AromaticContact CE2-CE1 4Å; F190-Y223 HydrophobicContact CE2-CE1 4Å; F190-Y223 AromaticContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CE1 4.13Å; I199-Y223 HydrophobicContact CG2-CE1 3.89Å; I201-Y223 HydrophobicContact CD1-CD1 3.39Å; I201-Y223 HydrophobicContact CD1-CE1 3.93Å; I201-Y223 HydrophobicContact CD1-CG 4.25Å; P202-Y223 VanDerWaalsContact CD-CD2 3.49Å; P202-Y223 HydrophobicContact CG-CD2 3.78Å; P202-Y223 HydrophobicContact CG-CE2 3.7Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.49Å; L219-Y223 PolarHBondContact O-N 3.11Å; Y223-S227 WeakPolarHBondContact CE1-OG 3.34Å; Y223-S227 VanDerWaalsContact O-CB 3.23Å; Y223-S227 WeakPolarHBondContact O-CB 3.46Å; Y223-S227 PolarHBondContact O-N 3.16Å; Y223-S227 PolarHBondContact O-OG 3.47Å
224G94.4Very high89.9Confident0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-67.3-46.9178.200000113.2I220 F221 I222 D226 S227 V228 F250I220-G224 WeakPolarHBondContact O-CA 3.43Å; I220-G224 PolarHBondContact O-N 2.86Å; F221-G224 PolarHBondContact O-N 2.81Å; I222-G224 VanDerWaalsContact C-N 3.33Å; I222-G224 PolarHBondContact O-N 3.4Å; G224-D226 PolarHBondContact O-N 2.84Å; G224-S227 PolarHBondContact O-N 3.25Å; G224-V228 WeakPolarHBondContact O-CB 3.41Å; G224-V228 VanDerWaalsContact O-CG2 3.29Å; G224-V228 WeakPolarHBondContact O-CG2 2.99Å; G224-V228 PolarHBondContact O-N 3.25Å; G224-F250 VanDerWaalsContact C-CE2 3.49Å
225V93.8Very high88.3Confident8 Ų849.1 Ų49.15%0.04825%0.246CC..Hα-helixtrans-59.5-47.6175.1171.40000110.6F221 S229 V246 R247 F250F221-V225 HydrophobicContact CD1-CG2 4.25Å; F221-V225 HydrophobicContact CE1-CG2 3.87Å; F221-V225 HydrophobicContact CE2-CG2 4.36Å; F221-V225 HydrophobicContact CZ-CG2 3.93Å; F221-V225 WeakPolarHBondContact O-CG2 3.26Å; F221-V225 PolarHBondContact O-N 2.87Å; V225-S229 WeakPolarHBondContact O-CB 3.21Å; V225-S229 PolarHBondContact O-N 3.08Å; V225-S229 PolarHBondContact O-OG 3.08Å; V225-V246 HydrophobicContact CG1-CG1 4.36Å; V225-R247 HydrophobicContact CG1-CB 4.27Å; V225-F250 HydrophobicContact CG2-CB 3.89Å; V225-F250 HydrophobicContact CG2-CD1 4.29Å; V225-F250 HydrophobicContact CG2-CD2 4.32Å; V225-F250 HydrophobicContact CG2-CG 3.91Å
226D92.4Very high86.5Confident71 Ų7155.2 Ų55.238%0.3827%0.27SS..Hα-helixtrans-62.4-43.9178.8175.848.5000112.6I222 G224 R230I222-D226 WeakPolarHBondContact O-CB 3.29Å; I222-D226 PolarHBondContact O-N 3.48Å; I222-D226 VanDerWaalsContact O-N 3.12Å; G224-D226 PolarHBondContact O-N 2.84Å; D226-R230 WeakPolarHBondContact O-CG 3.12Å; D226-R230 PolarHBondContact O-N 3.09Å; D226-R230 IonicContact OD1-CZ 2.73Å; D226-R230 IonicContact OD1-NH1 2.72Å; D226-R230 PolarHBondContact OD1-NH1 2.81Å; D226-R230 IonicContact OD2-CZ 2.64Å; D226-R230 IonicContact OD2-NH1 3.15Å; D226-R230 PolarHBondContact OD2-NH1 2.64Å; D226-R230 IonicContact OD2-NH2 3.3Å; D226-R230 PolarHBondContact OD2-NH2 2.74Å
227S91.4Very high84.6Confident23 Ų2364.3 Ų64.316%0.16131%0.311CS..Hα-helixtrans-65.6-45.4179.5-620000112.6Y223 G224 R230 E231Y223-S227 WeakPolarHBondContact CE1-OG 3.34Å; Y223-S227 VanDerWaalsContact O-CB 3.23Å; Y223-S227 WeakPolarHBondContact O-CB 3.46Å; Y223-S227 PolarHBondContact O-N 3.16Å; Y223-S227 PolarHBondContact O-OG 3.47Å; G224-S227 PolarHBondContact O-N 3.25Å; S227-R230 PolarHBondContact O-N 2.8Å; S227-E231 PolarHBondContact O-N 2.77Å; S227-E231 VanDerWaalsContact O-N 3.16Å
228V91.1Very high82.8Confident0 Ų069.8 Ų69.80%034%0.337CS..Hα-helixtrans-68.8-41.8179.3172.60000110.6A186 V187 F190 G224 R230 E231 I232 V246 F250A186-V228 HydrophobicContact CB-CG1 3.92Å; V187-V228 HydrophobicContact CG2-CG1 3.87Å; V187-V228 HydrophobicContact CG2-CG2 4.48Å; F190-V228 HydrophobicContact CB-CG2 3.87Å; F190-V228 HydrophobicContact CD2-CG2 4.34Å; F190-V228 HydrophobicContact CG-CG2 4.13Å; G224-V228 WeakPolarHBondContact O-CB 3.41Å; G224-V228 VanDerWaalsContact O-CG2 3.29Å; G224-V228 WeakPolarHBondContact O-CG2 2.99Å; G224-V228 PolarHBondContact O-N 3.25Å; V228-R230 VanDerWaalsContact C-N 3.34Å; V228-R230 PolarHBondContact O-N 2.98Å; V228-E231 PolarHBondContact O-N 3.29Å; V228-I232 HydrophobicContact CG1-CD1 3.45Å; V228-I232 VanDerWaalsContact CG1-CD1 3.45Å; V228-I232 HydrophobicContact CG1-CG1 4.4Å; V228-I232 VanDerWaalsContact O-CD1 3.31Å; V228-I232 WeakPolarHBondContact O-CD1 3.26Å; V228-I232 VanDerWaalsContact O-CG1 3.32Å; V228-I232 WeakPolarHBondContact O-CG1 3.24Å; V228-I232 PolarHBondContact O-N 2.92Å; V228-V246 HydrophobicContact CB-CG1 4.04Å; V228-V246 HydrophobicContact CG1-CG1 3.75Å; V228-V246 HydrophobicContact CG1-CG2 4.44Å; V228-F250 HydrophobicContact CG2-CD2 4.46Å; V228-F250 HydrophobicContact CG2-CE2 4.42Å
229S89.9Confident81.4Confident13 Ų1368.6 Ų68.69%0.09134%0.344CS..Hα-helixtrans-56.5-47174.4-70.10000111.4V225 E231 I232 S233V225-S229 WeakPolarHBondContact O-CB 3.21Å; V225-S229 PolarHBondContact O-N 3.08Å; V225-S229 PolarHBondContact O-OG 3.08Å; S229-E231 PolarHBondContact O-N 3.07Å; S229-I232 PolarHBondContact O-N 3.33Å; S229-I232 VanDerWaalsContact O-N 3.13Å; S229-S233 VanDerWaalsContact O-CB 3.26Å; S229-S233 WeakPolarHBondContact O-CB 3.44Å; S229-S233 PolarHBondContact O-N 3.23Å; S229-S233 PolarHBondContact O-OG 3.04Å
230R87.5Confident80.2Confident125 Ų12574.8 Ų74.847%0.47237%0.372SS..Hα-helixtrans-57.9-46175.1-77.3-168.3-69.4-101.8-7.2113.1D226 S227 V228 I232 S233 D234D226-R230 WeakPolarHBondContact O-CG 3.12Å; D226-R230 PolarHBondContact O-N 3.09Å; D226-R230 IonicContact OD1-CZ 2.73Å; D226-R230 IonicContact OD1-NH1 2.72Å; D226-R230 PolarHBondContact OD1-NH1 2.81Å; D226-R230 IonicContact OD2-CZ 2.64Å; D226-R230 IonicContact OD2-NH1 3.15Å; D226-R230 PolarHBondContact OD2-NH1 2.64Å; D226-R230 IonicContact OD2-NH2 3.3Å; D226-R230 PolarHBondContact OD2-NH2 2.74Å; S227-R230 PolarHBondContact O-N 2.8Å; V228-R230 VanDerWaalsContact C-N 3.34Å; V228-R230 PolarHBondContact O-N 2.98Å; R230-I232 PolarHBondContact O-N 3.06Å; R230-S233 PolarHBondContact O-N 3.48Å; R230-D234 PolarHBondContact O-N 3.36Å
231E86.3Confident79Confident96 Ų9680.1 Ų80.145%0.44940%0.4SS..Hα-helixtrans-60.9-29178.2-176.9177.9171.600112.8R182 S227 V228 S229R182-E231 PolarHBondContact NH2-O 3.36Å; S227-E231 PolarHBondContact O-N 2.77Å; S227-E231 VanDerWaalsContact O-N 3.16Å; V228-E231 PolarHBondContact O-N 3.29Å; S229-E231 PolarHBondContact O-N 3.07Å
232I83.3Confident78.2Confident13 Ų1380.9 Ų80.97%0.06741%0.406CS..Hα-helixtrans-87.9-43.9-179.3-63.2156000111.7R182 I183 V228 S229 R230 D234 C242 V246R182-I232 PolarHBondContact NH2-O 3.36Å; R182-I232 VanDerWaalsContact NH2-O 3.15Å; I183-I232 HydrophobicContact CB-CD1 4.2Å; I183-I232 HydrophobicContact CG1-CD1 3.72Å; I183-I232 HydrophobicContact CG1-CG1 4.46Å; I183-I232 HydrophobicContact CG2-CD1 4.14Å; V228-I232 HydrophobicContact CG1-CD1 3.45Å; V228-I232 VanDerWaalsContact CG1-CD1 3.45Å; V228-I232 HydrophobicContact CG1-CG1 4.4Å; V228-I232 VanDerWaalsContact O-CD1 3.31Å; V228-I232 WeakPolarHBondContact O-CD1 3.26Å; V228-I232 VanDerWaalsContact O-CG1 3.32Å; V228-I232 WeakPolarHBondContact O-CG1 3.24Å; V228-I232 PolarHBondContact O-N 2.92Å; S229-I232 PolarHBondContact O-N 3.33Å; S229-I232 VanDerWaalsContact O-N 3.13Å; R230-I232 PolarHBondContact O-N 3.06Å; I232-D234 PolarHBondContact O-N 2.94Å; I232-C242 VanDerWaalsContact CG2-SG 3.54Å; I232-V246 HydrophobicContact CD1-CG2 3.4Å
233S75.6Confident77.7Confident47 Ų4780.5 Ų80.533%0.32940%0.403SS..Hα-helixtrans-68.4-13.8-173.7-67.20000114.8S229 R230 N235S229-S233 VanDerWaalsContact O-CB 3.26Å; S229-S233 WeakPolarHBondContact O-CB 3.44Å; S229-S233 PolarHBondContact O-N 3.23Å; S229-S233 PolarHBondContact O-OG 3.04Å; R230-S233 PolarHBondContact O-N 3.48Å; S233-N235 PolarHBondContact O-N 2.9Å
234D63.1Low77.3Confident137 Ų13781.1 Ų81.173%0.73341%0.408SS*.THydrogen-bonded Turntrans-57.8-2.5174.4-80.8-15.8000114.2R230 I232R230-D234 PolarHBondContact O-N 3.36Å; I232-D234 PolarHBondContact O-N 2.94Å
235N58.5Low76.9Confident118 Ų11883.1 Ų83.163%0.63142%0.419SS*.THydrogen-bonded Turntrans-127-13.5-176-79.5-34.3000119.4S233S233-N235 PolarHBondContact O-N 2.9Å
236E53.4Low76.6Confident163 Ų16382.8 Ų82.876%0.76242%0.416SS*.  trans-151.4153-175.5-71.8-170.6168.200117.6Q238E236-Q238 VanDerWaalsContact C-N 3.28Å; E236-Q238 PolarHBondContact O-N 2.77Å; E236-Q238 VanDerWaalsContact O-N 3.13Å
237Q52.2Low76.6Confident207 Ų20782.6 Ų82.697%0.96741%0.41SS*.SBendtrans-73.216-175.4-73.9-179.7-20.300116.4
238Q56.1Low76.6Confident131 Ų13182.5 Ų82.561%0.61241%0.408SS*.  trans-118.962.5-177-74.2-178.3-14.400112.9E236 E240 C242E236-Q238 VanDerWaalsContact C-N 3.28Å; E236-Q238 PolarHBondContact O-N 2.77Å; E236-Q238 VanDerWaalsContact O-N 3.13Å; Q238-E240 PolarHBondContact O-N 2.85Å; Q238-C242 VanDerWaalsContact O-CB 3.28Å; Q238-C242 WeakPolarHBondContact O-CB 3.41Å; Q238-C242 PolarHBondContact O-N 3.41Å
239S66.4Low76.5Confident75 Ų7582.6 Ų82.652%0.52441%0.409SS..Hα-helixtrans-60.6-45.1-168.8-166.80000114.9E243S239-E243 WeakPolarHBondContact O-CB 3.46Å; S239-E243 PolarHBondContact O-N 3.25Å
240E68.8Low76.7Confident164 Ų16482 Ų8277%0.76640%0.404SS*.Hα-helixtrans-79.2-41.6-167.2-168.1172.7-17000113.3Q238 C242 E243 Q244Q238-E240 PolarHBondContact O-N 2.85Å; E240-C242 VanDerWaalsContact C-N 3.29Å; E240-C242 PolarHBondContact O-N 2.9Å; E240-E243 PolarHBondContact O-N 3.41Å; E240-Q244 PolarHBondContact O-N 2.92Å
241I70.6Confident77Confident124 Ų12476.1 Ų76.164%0.63638%0.382SS*.Hα-helixtrans-63.2-40.6174.5-64.6169.9000109.9L245I241-L245 WeakPolarHBondContact O-CB 3.19Å; I241-L245 PolarHBondContact O-N 3.34Å
242C77.6Confident77.4Confident28 Ų2873.1 Ų73.119%0.18937%0.368CS..Hα-helixtrans-64-44.6177.2-170.80000111.6I232 Q238 E240 Q244 L245 V246I232-C242 VanDerWaalsContact CG2-SG 3.54Å; Q238-C242 VanDerWaalsContact O-CB 3.28Å; Q238-C242 WeakPolarHBondContact O-CB 3.41Å; Q238-C242 PolarHBondContact O-N 3.41Å; E240-C242 VanDerWaalsContact C-N 3.29Å; E240-C242 PolarHBondContact O-N 2.9Å; C242-Q244 PolarHBondContact O-N 3.08Å; C242-L245 WeakPolarHBondContact O-CB 3.27Å; C242-L245 PolarHBondContact O-N 3.39Å; C242-V246 VanDerWaalsContact O-CG2 3.31Å; C242-V246 WeakPolarHBondContact O-CG2 3.45Å; C242-V246 PolarHBondContact O-N 2.84Å
243E84.3Confident77.8Confident76 Ų7672.7 Ų72.736%0.35537%0.366SS..Hα-helixtrans-63-42178.9-168.9-172.4149.900112.3S239 E240 L245 V246 R247S239-E243 WeakPolarHBondContact O-CB 3.46Å; S239-E243 PolarHBondContact O-N 3.25Å; E240-E243 PolarHBondContact O-N 3.41Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 2.99Å; E243-V246 PolarHBondContact O-N 3.35Å; E243-R247 WeakPolarHBondContact O-CB 3.32Å; E243-R247 PolarHBondContact O-N 3.26Å; E243-R247 IonicContact OE1-CZ 2.65Å; E243-R247 IonicContact OE1-NH1 3.39Å; E243-R247 IonicContact OE1-NH2 3.63Å; E243-R247 PolarHBondContact OE1-NH2 3.31Å
244Q86.4Confident78.8Confident84 Ų8470.8 Ų70.839%0.39335%0.352SS..Hα-helixtrans-65.9-38.2176.4-171.858.136.500111.8E240 C242 R247 N248E240-Q244 PolarHBondContact O-N 2.92Å; C242-Q244 PolarHBondContact O-N 3.08Å; Q244-R247 PolarHBondContact O-N 2.63Å; Q244-N248 PolarHBondContact NE2-OD1 2.75Å; Q244-N248 WeakPolarHBondContact O-CB 3.44Å; Q244-N248 VanDerWaalsContact O-CG 3.24Å; Q244-N248 PolarHBondContact O-N 2.84Å; Q244-N248 PolarHBondContact O-OD1 3.23Å
245L85.4Confident80.3Confident43 Ų4364.7 Ų64.723%0.22532%0.319CS..Hα-helixtrans-63.9-46.8175.7-154.670.2000110.7A177 I183 I241 C242 E243 R247 N248 T249A177-L245 HydrophobicContact CB-CD1 4.1Å; A177-L245 HydrophobicContact CB-CG 4.36Å; I183-L245 HydrophobicContact CD1-CB 4.32Å; I183-L245 HydrophobicContact CD1-CD2 3.72Å; I183-L245 HydrophobicContact CD1-CG 4.21Å; I241-L245 WeakPolarHBondContact O-CB 3.19Å; I241-L245 PolarHBondContact O-N 3.34Å; C242-L245 WeakPolarHBondContact O-CB 3.27Å; C242-L245 PolarHBondContact O-N 3.39Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 2.99Å; L245-R247 VanDerWaalsContact C-N 3.35Å; L245-R247 PolarHBondContact O-N 3.5Å; L245-N248 PolarHBondContact O-N 2.94Å; L245-T249 PolarHBondContact O-N 2.91Å; L245-T249 PolarHBondContact O-OG1 3.39Å
246V89.4Confident81.9Confident0 Ų064.2 Ų64.20%031%0.313CS..Hα-helixtrans-56.6-48.1173.51720000110.9I183 V225 V228 I232 C242 E243 N248 T249 F250I183-V246 HydrophobicContact CD1-CG2 4.27Å; I183-V246 HydrophobicContact CG2-CB 4.48Å; I183-V246 HydrophobicContact CG2-CG2 3.94Å; V225-V246 HydrophobicContact CG1-CG1 4.36Å; V228-V246 HydrophobicContact CB-CG1 4.04Å; V228-V246 HydrophobicContact CG1-CG1 3.75Å; V228-V246 HydrophobicContact CG1-CG2 4.44Å; I232-V246 HydrophobicContact CD1-CG2 3.4Å; C242-V246 VanDerWaalsContact O-CG2 3.31Å; C242-V246 WeakPolarHBondContact O-CG2 3.45Å; C242-V246 PolarHBondContact O-N 2.84Å; E243-V246 PolarHBondContact O-N 3.35Å; V246-N248 PolarHBondContact O-N 2.79Å; V246-T249 PolarHBondContact O-N 3.22Å; V246-F250 VanDerWaalsContact O-CB 3.23Å; V246-F250 WeakPolarHBondContact O-CB 3.29Å; V246-F250 PolarHBondContact O-N 3.47Å
247R91.6Very high83.8Confident68 Ų6859.5 Ų59.526%0.25729%0.288SS..Hα-helixtrans-59.3-44.7179.9-178.7-179.1-69.4110.46.5112.1F221 V225 E243 Q244 L245 A251 A283F221-R247 HydrophobicContact CE1-CG 4.36Å; F221-R247 HydrophobicContact CZ-CG 4.14Å; V225-R247 HydrophobicContact CG1-CB 4.27Å; E243-R247 WeakPolarHBondContact O-CB 3.32Å; E243-R247 PolarHBondContact O-N 3.26Å; E243-R247 IonicContact OE1-CZ 2.65Å; E243-R247 IonicContact OE1-NH1 3.39Å; E243-R247 IonicContact OE1-NH2 3.63Å; E243-R247 PolarHBondContact OE1-NH2 3.31Å; Q244-R247 PolarHBondContact O-N 2.63Å; L245-R247 VanDerWaalsContact C-N 3.35Å; L245-R247 PolarHBondContact O-N 3.5Å; R247-A251 WeakPolarHBondContact O-CB 3.36Å; R247-A251 PolarHBondContact O-N 3.2Å; R247-A283 HydrophobicContact CG-CB 4.09Å
248N90.4Very high85.7Confident21 Ų2151.2 Ų51.211%0.11225%0.252CS..Hα-helixtrans-66.3-47.4178.1-69.2-8.9000111.2Q244 L245 V246 F250 A251 H252Q244-N248 PolarHBondContact NE2-OD1 2.75Å; Q244-N248 WeakPolarHBondContact O-CB 3.44Å; Q244-N248 VanDerWaalsContact O-CG 3.24Å; Q244-N248 PolarHBondContact O-N 2.84Å; Q244-N248 PolarHBondContact O-OD1 3.23Å; L245-N248 PolarHBondContact O-N 2.94Å; V246-N248 PolarHBondContact O-N 2.79Å; N248-F250 VanDerWaalsContact C-N 3.32Å; N248-F250 PolarHBondContact O-N 3.45Å; N248-A251 PolarHBondContact O-N 3.22Å; N248-H252 PolarHBondContact O-N 3.11Å
249T90.4Very high87.5Confident2 Ų245 Ų451%0.01222%0.222CC..Hα-helixtrans-59.6-43.5176-55.20000111.5A177 I183 V187 L245 V246 H252 I253A177-T249 WeakPolarHBondContact CB-OG1 3.38Å; I183-T249 HydrophobicContact CG2-CG2 4.08Å; V187-T249 HydrophobicContact CB-CG2 4.33Å; V187-T249 HydrophobicContact CG2-CG2 4.03Å; L245-T249 PolarHBondContact O-N 2.91Å; L245-T249 PolarHBondContact O-OG1 3.39Å; V246-T249 PolarHBondContact O-N 3.22Å; T249-H252 PolarHBondContact O-N 3.29Å; T249-I253 HydrophobicContact CG2-CD1 3.74Å; T249-I253 WeakPolarHBondContact O-CG1 3.23Å; T249-I253 PolarHBondContact O-N 3.36Å
250F93.5Very high88.7Confident0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-63.6-46.2178.2-159.1-70.8000111.3V187 F190 V191 F221 G224 V225 V228 V246 N248 H252 Y254V187-F250 HydrophobicContact CB-CD2 4.48Å; V187-F250 HydrophobicContact CG1-CB 4.22Å; V187-F250 HydrophobicContact CG1-CD2 3.84Å; V187-F250 HydrophobicContact CG1-CE2 4.44Å; V187-F250 HydrophobicContact CG1-CG 4.14Å; V187-F250 HydrophobicContact CG2-CB 4.36Å; V187-F250 HydrophobicContact CG2-CD2 4.11Å; F190-F250 AromaticContact CD1-CE2 3.47Å; F190-F250 HydrophobicContact CD1-CE2 3.47Å; F190-F250 VanDerWaalsContact CD1-CE2 3.47Å; F190-F250 AromaticContact CD1-CZ 3.57Å; F190-F250 HydrophobicContact CD1-CZ 3.57Å; F190-F250 AromaticContact CE1-CE2 3.95Å; F190-F250 HydrophobicContact CE1-CE2 3.95Å; F190-F250 AromaticContact CE1-CZ 3.71Å; F190-F250 HydrophobicContact CE1-CZ 3.71Å; F190-F250 HydrophobicContact CG-CE2 4.17Å; V191-F250 HydrophobicContact CG2-CE1 4.5Å; V191-F250 HydrophobicContact CG2-CE2 4.43Å; V191-F250 HydrophobicContact CG2-CZ 4.13Å; F221-F250 AromaticContact CD2-CD1 3.63Å; F221-F250 HydrophobicContact CD2-CD1 3.63Å; F221-F250 AromaticContact CD2-CE1 3.99Å; F221-F250 HydrophobicContact CD2-CE1 3.99Å; F221-F250 HydrophobicContact CE2-CB 4.46Å; F221-F250 AromaticContact CE2-CD1 3.69Å; F221-F250 HydrophobicContact CE2-CD1 3.69Å; F221-F250 HydrophobicContact CE2-CE1 4.5Å; F221-F250 HydrophobicContact CE2-CG 4.47Å; G224-F250 VanDerWaalsContact C-CE2 3.49Å; V225-F250 HydrophobicContact CG2-CB 3.89Å; V225-F250 HydrophobicContact CG2-CD1 4.29Å; V225-F250 HydrophobicContact CG2-CD2 4.32Å; V225-F250 HydrophobicContact CG2-CG 3.91Å; V228-F250 HydrophobicContact CG2-CD2 4.46Å; V228-F250 HydrophobicContact CG2-CE2 4.42Å; V246-F250 VanDerWaalsContact O-CB 3.23Å; V246-F250 WeakPolarHBondContact O-CB 3.29Å; V246-F250 PolarHBondContact O-N 3.47Å; N248-F250 VanDerWaalsContact C-N 3.32Å; N248-F250 PolarHBondContact O-N 3.45Å; F250-H252 VanDerWaalsContact C-N 3.31Å; F250-H252 PolarHBondContact O-N 2.94Å; F250-Y254 AromaticContact CE1-CD2 3.95Å; F250-Y254 HydrophobicContact CE1-CD2 3.95Å; F250-Y254 HydrophobicContact CE1-CG 4.06Å; F250-Y254 WeakPolarHBondContact O-CB 3.29Å; F250-Y254 PolarHBondContact O-N 2.95Å
251A94.4Very high89.7Confident1 Ų143.9 Ų43.91%0.00820%0.204CC..Hα-helixtrans-57.1-46.917700000111.8F221 R247 N248 F255 A283 L284 E287F221-A251 HydrophobicContact CE2-CB 3.91Å; F221-A251 HydrophobicContact CZ-CB 4.11Å; R247-A251 WeakPolarHBondContact O-CB 3.36Å; R247-A251 PolarHBondContact O-N 3.2Å; N248-A251 PolarHBondContact O-N 3.22Å; A251-F255 WeakPolarHBondContact O-CB 3.38Å; A251-F255 PolarHBondContact O-N 3.4Å; A251-A283 HydrophobicContact CB-CB 3.82Å; A251-L284 HydrophobicContact CB-CD2 4.1Å; A251-L284 WeakPolarHBondContact O-CD2 3.39Å; A251-E287 HydrophobicContact CB-CG 3.99Å
252H93.3Very high90.4Very high34 Ų3441.4 Ų41.416%0.15719%0.19CC..Hα-helixtrans-62.9-55.4-179.7-175.673000112.6V174 F178 N248 T249 F250 Y254 F255 E256 E287V174-H252 HydrophobicContact CG1-CB 3.61Å; V174-H252 VanDerWaalsContact CG1-CD2 3.46Å; V174-H252 WeakPolarHBondContact CG1-CD2 3.35Å; V174-H252 HydrophobicContact CG2-CB 4.47Å; F178-H252 AromaticContact CE2-CD2 3.49Å; F178-H252 VanDerWaalsContact CE2-CD2 3.49Å; F178-H252 WeakPolarHBondContact CE2-CD2 3.46Å; F178-H252 AromaticContact CE2-NE2 3.55Å; F178-H252 AromaticContact CZ-CD2 3.37Å; F178-H252 WeakPolarHBondContact CZ-CD2 3.35Å; F178-H252 AromaticContact CZ-NE2 3.61Å; N248-H252 PolarHBondContact O-N 3.11Å; T249-H252 PolarHBondContact O-N 3.29Å; F250-H252 VanDerWaalsContact C-N 3.31Å; F250-H252 PolarHBondContact O-N 2.94Å; H252-Y254 PolarHBondContact O-N 3.22Å; H252-F255 PolarHBondContact O-N 3.05Å; H252-E256 IonicContact NE2-OE2 3.26Å; H252-E256 WeakPolarHBondContact O-CB 3.27Å; H252-E256 PolarHBondContact O-N 3.03Å; H252-E287 HydrophobicContact CB-CG 4.47Å; H252-E287 IonicContact CE1-OE2 3.15Å; H252-E287 IonicContact CG-OE2 3.15Å; H252-E287 IonicContact ND1-OE2 2.93Å; H252-E287 PolarHBondContact ND1-OE2 2.96Å
253I92.9Very high91Very high4 Ų441.2 Ų41.22%0.02119%0.187CC..Hα-helixtrans-63.6-42.7-177.6-67.7172.2000111E184 V187 V191 T249 E256 R257E184-I253 HydrophobicContact CG-CD1 4.12Å; V187-I253 HydrophobicContact CB-CD1 3.98Å; V187-I253 HydrophobicContact CG1-CB 3.91Å; V187-I253 HydrophobicContact CG1-CD1 3.63Å; V187-I253 HydrophobicContact CG1-CG1 4.3Å; V187-I253 HydrophobicContact CG1-CG2 4.1Å; V191-I253 HydrophobicContact CG2-CG2 4.25Å; T249-I253 HydrophobicContact CG2-CD1 3.74Å; T249-I253 WeakPolarHBondContact O-CG1 3.23Å; T249-I253 PolarHBondContact O-N 3.36Å; I253-E256 PolarHBondContact O-N 3.33Å; I253-R257 HydrophobicContact CG2-CG 4.28Å; I253-R257 VanDerWaalsContact O-CB 3.32Å; I253-R257 WeakPolarHBondContact O-CB 3.4Å; I253-R257 VanDerWaalsContact O-CG 3.32Å; I253-R257 WeakPolarHBondContact O-CG 3.38Å; I253-R257 PolarHBondContact O-N 2.72Å
254Y95.5Very high91.2Very high7 Ų741 Ų413%0.02719%0.19CC..Hα-helixtrans-65.7-42.9179.1-170-98.7000111.2V191 H217 I220 F250 H252 V258 L259 L284V191-Y254 HydrophobicContact CG2-CD2 4.25Å; H217-Y254 HydrophobicContact CB-CE1 4.4Å; H217-Y254 AromaticContact ND1-CE1 3.86Å; H217-Y254 AromaticContact ND1-CZ 3.82Å; H217-Y254 PolarHBondContact ND1-OH 2.78Å; I220-Y254 HydrophobicContact CG2-CD2 4.45Å; I220-Y254 HydrophobicContact CG2-CE2 3.6Å; F250-Y254 AromaticContact CE1-CD2 3.95Å; F250-Y254 HydrophobicContact CE1-CD2 3.95Å; F250-Y254 HydrophobicContact CE1-CG 4.06Å; F250-Y254 WeakPolarHBondContact O-CB 3.29Å; F250-Y254 PolarHBondContact O-N 2.95Å; H252-Y254 PolarHBondContact O-N 3.22Å; Y254-V258 HydrophobicContact CD2-CB 4.46Å; Y254-V258 HydrophobicContact CD2-CG2 3.87Å; Y254-V258 HydrophobicContact CE1-CB 4.39Å; Y254-V258 HydrophobicContact CE1-CG1 4.44Å; Y254-V258 HydrophobicContact CE2-CB 4.27Å; Y254-V258 HydrophobicContact CE2-CG1 4.41Å; Y254-V258 HydrophobicContact CE2-CG2 3.78Å; Y254-V258 HydrophobicContact CG-CG2 4.4Å; Y254-V258 WeakPolarHBondContact O-CA 3.28Å; Y254-V258 WeakPolarHBondContact O-CB 3.35Å; Y254-V258 PolarHBondContact O-N 2.81Å; Y254-L259 HydrophobicContact CD1-CD1 4.24Å; Y254-L259 HydrophobicContact CD1-CG 4.32Å; Y254-L259 HydrophobicContact CE1-CD1 4.29Å; Y254-L259 HydrophobicContact CE1-CD2 4.43Å; Y254-L259 HydrophobicContact CE1-CG 4.19Å; Y254-L259 PolarHBondContact O-N 3.29Å; Y254-L284 HydrophobicContact CD1-CD1 4.19Å; Y254-L284 HydrophobicContact CD1-CD2 3.98Å; Y254-L284 HydrophobicContact CE1-CD1 4.49Å
255F95.3Very high91.3Very high9 Ų942.7 Ų42.74%0.03919%0.194CC..Iπ-helixtrans-60.1-53.4174.6174.3-97.2000111A251 H252 R257 L259 S260 I263 L272 L284 E287 V288 F291A251-F255 WeakPolarHBondContact O-CB 3.38Å; A251-F255 PolarHBondContact O-N 3.4Å; H252-F255 PolarHBondContact O-N 3.05Å; F255-R257 PolarHBondContact O-N 2.81Å; F255-L259 HydrophobicContact CD2-CB 3.79Å; F255-L259 HydrophobicContact CD2-CD1 4.27Å; F255-L259 HydrophobicContact CE2-CB 4.23Å; F255-L259 PolarHBondContact O-N 2.88Å; F255-S260 WeakPolarHBondContact O-CB 3.48Å; F255-S260 PolarHBondContact O-N 3.09Å; F255-I263 HydrophobicContact CE2-CD1 4.02Å; F255-I263 HydrophobicContact CZ-CD1 3.92Å; F255-L272 HydrophobicContact CE2-CD2 3.99Å; F255-L284 HydrophobicContact CB-CD2 4.22Å; F255-E287 HydrophobicContact CB-CB 3.87Å; F255-E287 HydrophobicContact CD1-CB 4.12Å; F255-E287 HydrophobicContact CD2-CB 4.45Å; F255-E287 HydrophobicContact CG-CB 3.86Å; F255-V288 HydrophobicContact CD2-CG2 3.87Å; F255-V288 HydrophobicContact CE2-CB 4.34Å; F255-V288 HydrophobicContact CE2-CG2 3.53Å; F255-V288 HydrophobicContact CZ-CG2 4.43Å; F255-F291 HydrophobicContact CE1-CB 3.6Å; F255-F291 HydrophobicContact CE1-CD2 4.13Å; F255-F291 AromaticContact CE1-CG 3.96Å; F255-F291 HydrophobicContact CE1-CG 3.96Å; F255-F291 HydrophobicContact CZ-CB 3.62Å; F255-F291 HydrophobicContact CZ-CD1 4.23Å; F255-F291 HydrophobicContact CZ-CD2 4.26Å; F255-F291 AromaticContact CZ-CG 3.78Å; F255-F291 HydrophobicContact CZ-CG 3.78Å
256E92.5Very high91.5Very high107 Ų10742.2 Ų42.250%0.519%0.19SC..Iπ-helixtrans-59.9-45.6-177.1-169.6-171.5174.600112.1H252 I253 S260H252-E256 IonicContact NE2-OE2 3.26Å; H252-E256 WeakPolarHBondContact O-CB 3.27Å; H252-E256 PolarHBondContact O-N 3.03Å; I253-E256 PolarHBondContact O-N 3.33Å; E256-S260 PolarHBondContact O-OG 2.95Å
257R92.4Very high91.5Very high64 Ų6447.6 Ų47.624%0.24222%0.219CC..Iπ-helixtrans-84.5-27.5-172.6-62.3-173.869.5177.40.3114N188 D192 I253 F255 R261N188-R257 PolarHBondContact OD1-NH1 2.84Å; N188-R257 VanDerWaalsContact OD1-NH1 3.15Å; D192-R257 VanDerWaalsContact CG-NH1 3.26Å; D192-R257 IonicContact OD1-CZ 3.4Å; D192-R257 IonicContact OD1-NH1 2.96Å; D192-R257 PolarHBondContact OD1-NH1 3.31Å; D192-R257 VanDerWaalsContact OD1-NH1 3.15Å; D192-R257 IonicContact OD1-NH2 3.36Å; D192-R257 PolarHBondContact OD1-NH2 3.01Å; D192-R257 IonicContact OD2-CZ 2.97Å; D192-R257 IonicContact OD2-NH1 3.06Å; D192-R257 PolarHBondContact OD2-NH1 3.09Å; D192-R257 IonicContact OD2-NH2 3.48Å; I253-R257 HydrophobicContact CG2-CG 4.28Å; I253-R257 VanDerWaalsContact O-CB 3.32Å; I253-R257 WeakPolarHBondContact O-CB 3.4Å; I253-R257 VanDerWaalsContact O-CG 3.32Å; I253-R257 WeakPolarHBondContact O-CG 3.38Å; I253-R257 PolarHBondContact O-N 2.72Å; F255-R257 PolarHBondContact O-N 2.81Å; R257-R261 VanDerWaalsContact O-CZ 3.27Å; R257-R261 PolarHBondContact O-NE 3.09Å
258V92.9Very high91.5Very high34 Ų3447 Ų4721%0.20622%0.221CC..Iπ-helixtrans-112.8-61.2-173.1-172.70000111V191 I195 Y254V191-V258 HydrophobicContact CG1-CG2 4.38Å; I195-V258 HydrophobicContact CD1-CG2 4.23Å; Y254-V258 HydrophobicContact CD2-CB 4.46Å; Y254-V258 HydrophobicContact CD2-CG2 3.87Å; Y254-V258 HydrophobicContact CE1-CB 4.39Å; Y254-V258 HydrophobicContact CE1-CG1 4.44Å; Y254-V258 HydrophobicContact CE2-CB 4.27Å; Y254-V258 HydrophobicContact CE2-CG1 4.41Å; Y254-V258 HydrophobicContact CE2-CG2 3.78Å; Y254-V258 HydrophobicContact CG-CG2 4.4Å; Y254-V258 WeakPolarHBondContact O-CA 3.28Å; Y254-V258 WeakPolarHBondContact O-CB 3.35Å; Y254-V258 PolarHBondContact O-N 2.81Å
259L93.8Very high91.6Very high0 Ų046.1 Ų46.10%022%0.216CC..Iπ-helixtrans-82-36-167.2-60.5178000114.3Y254 F255 R261 E262 L272 L276 L284Y254-L259 HydrophobicContact CD1-CD1 4.24Å; Y254-L259 HydrophobicContact CD1-CG 4.32Å; Y254-L259 HydrophobicContact CE1-CD1 4.29Å; Y254-L259 HydrophobicContact CE1-CD2 4.43Å; Y254-L259 HydrophobicContact CE1-CG 4.19Å; Y254-L259 PolarHBondContact O-N 3.29Å; F255-L259 HydrophobicContact CD2-CB 3.79Å; F255-L259 HydrophobicContact CD2-CD1 4.27Å; F255-L259 HydrophobicContact CE2-CB 4.23Å; F255-L259 PolarHBondContact O-N 2.88Å; L259-R261 PolarHBondContact O-N 2.96Å; L259-R261 VanDerWaalsContact O-N 3.16Å; L259-E262 WeakPolarHBondContact O-CB 3.38Å; L259-E262 PolarHBondContact O-N 3.46Å; L259-L272 HydrophobicContact CB-CD1 4.31Å; L259-L272 HydrophobicContact CB-CD2 4.49Å; L259-L272 HydrophobicContact CD1-CD1 4.46Å; L259-L272 HydrophobicContact CD2-CD1 4.18Å; L259-L276 HydrophobicContact CD1-CD2 4.34Å; L259-L284 HydrophobicContact CD1-CD1 4.09Å; L259-L284 HydrophobicContact CD1-CD2 4.11Å
260S91.8Very high91.8Very high28 Ų2846.9 Ų46.920%0.19622%0.221CC..G310 helixtrans-60.2-31.1-174.576.30000112.4F255 E256 E262 I263F255-S260 WeakPolarHBondContact O-CB 3.48Å; F255-S260 PolarHBondContact O-N 3.09Å; E256-S260 PolarHBondContact O-OG 2.95Å; S260-E262 PolarHBondContact O-N 2.98Å; S260-I263 PolarHBondContact O-N 3.3Å; S260-I263 VanDerWaalsContact O-N 3.12Å
261R88.8Confident91.7Very high188 Ų18850.3 Ų50.371%0.70924%0.242SC*.G310 helixtrans-67-19.5179.7-60.5179.2179.2-179.51.8113.1R257 L259 I263R257-R261 VanDerWaalsContact O-CZ 3.27Å; R257-R261 PolarHBondContact O-NE 3.09Å; L259-R261 PolarHBondContact O-N 2.96Å; L259-R261 VanDerWaalsContact O-N 3.16Å; R261-I263 VanDerWaalsContact C-N 3.32Å
262E85.8Confident91.7Very high71 Ų7150.4 Ų50.433%0.33224%0.242SC..G310 helixtrans-81.9-13.9177.2-58.2-172.1-173.800112.3K213 L259 S260 T264 D268K213-E262 IonicContact NZ-OE2 2.7Å; K213-E262 PolarHBondContact NZ-OE2 2.73Å; L259-E262 WeakPolarHBondContact O-CB 3.38Å; L259-E262 PolarHBondContact O-N 3.46Å; S260-E262 PolarHBondContact O-N 2.98Å; E262-T264 PolarHBondContact O-N 2.81Å; E262-D268 WeakPolarHBondContact O-CB 3.39Å
263I90.8Very high91.8Very high25 Ų2548.8 Ų48.813%0.12824%0.235CC..  trans-92.399.1-175-48.8174.1000109.5F255 S260 R261 F269 L272 F291F255-I263 HydrophobicContact CE2-CD1 4.02Å; F255-I263 HydrophobicContact CZ-CD1 3.92Å; S260-I263 PolarHBondContact O-N 3.3Å; S260-I263 VanDerWaalsContact O-N 3.12Å; R261-I263 VanDerWaalsContact C-N 3.32Å; I263-F269 HydrophobicContact CG2-CB 4.07Å; I263-L272 HydrophobicContact CD1-CD2 3.52Å; I263-L272 HydrophobicContact CG1-CD2 3.81Å; I263-F291 HydrophobicContact CB-CE1 4.35Å; I263-F291 HydrophobicContact CD1-CD1 3.93Å; I263-F291 HydrophobicContact CD1-CE1 3.85Å; I263-F291 HydrophobicContact CG2-CE1 4.01Å
264T88Confident91.8Very high71 Ų7150.9 Ų50.944%0.43624%0.244SC..SBendtrans-110.2-35.8173.3-520000111.6E262 D268E262-T264 PolarHBondContact O-N 2.81Å; T264-D268 PolarHBondContact N-OD2 3Å
265Y88.2Confident91.7Very high120 Ų12050.9 Ų50.947%0.47125%0.246SC..SBendtrans-126.8166.7-176.7-55.1-69000111.4D267 D268 F269Y265-D267 PolarHBondContact O-N 2.72Å; Y265-D268 PolarHBondContact N-OD2 3.33Å; Y265-D268 WeakPolarHBondContact O-CB 3.48Å; Y265-D268 PolarHBondContact O-N 3.43Å; Y265-D268 VanDerWaalsContact O-N 3.11Å; Y265-F269 PolarHBondContact O-N 2.9Å
266F88.7Confident91.7Very high32 Ų3250.4 Ų50.414%0.1425%0.245CC..Hα-helixtrans-56.3-38.6176.5178.4-102000112.8D268 F269 V270 F307 K310 L311 V314F266-D268 VanDerWaalsContact C-N 3.29Å; F266-D268 PolarHBondContact O-N 3.32Å; F266-F269 HydrophobicContact CD2-CD1 4.35Å; F266-F269 HydrophobicContact CE2-CD1 4.34Å; F266-F269 WeakPolarHBondContact O-CB 3.48Å; F266-F269 PolarHBondContact O-N 2.94Å; F266-V270 HydrophobicContact CD1-CG2 4.07Å; F266-V270 HydrophobicContact CE1-CG2 3.64Å; F266-V270 HydrophobicContact CE2-CG2 4.3Å; F266-V270 HydrophobicContact CZ-CG2 3.79Å; F266-V270 WeakPolarHBondContact O-CG2 3.43Å; F266-V270 PolarHBondContact O-N 3.25Å; F266-F307 HydrophobicContact CD2-CD2 4.4Å; F266-F307 AromaticContact CD2-CE2 3.71Å; F266-F307 HydrophobicContact CD2-CE2 3.71Å; F266-F307 HydrophobicContact CE2-CE2 4.37Å; F266-F307 HydrophobicContact CG-CE2 4.45Å; F266-K310 HydrophobicContact CE1-CB 4.25Å; F266-K310 HydrophobicContact CE1-CD 4.39Å; F266-K310 HydrophobicContact CE2-CB 4.12Å; F266-K310 HydrophobicContact CZ-CB 3.67Å; F266-L311 HydrophobicContact CD2-CD2 4.39Å; F266-L311 HydrophobicContact CE2-CD2 3.91Å; F266-L311 HydrophobicContact CE2-CG 4.35Å; F266-V314 HydrophobicContact CE1-CG2 4.44Å; F266-V314 HydrophobicContact CE2-CG2 4.32Å; F266-V314 HydrophobicContact CZ-CG2 3.62Å
267D89.9Confident91.7Very high114 Ų11447.3 Ų47.361%0.6123%0.233SC*.Hα-helixtrans-66.9-31.6179.5-62.2-23.1000112.1Y265 V270 T271Y265-D267 PolarHBondContact O-N 2.72Å; D267-V270 PolarHBondContact O-N 3Å; D267-T271 WeakPolarHBondContact O-CB 3.45Å; D267-T271 PolarHBondContact O-N 3.23Å; D267-T271 PolarHBondContact O-OG1 3.49Å
268D92.2Very high91.7Very high54 Ų5451.1 Ų51.129%0.28925%0.251SS..Hα-helixtrans-66.8-43174.1-54.9-35.9000110.3E262 T264 Y265 F266 T271 L272E262-D268 WeakPolarHBondContact O-CB 3.39Å; T264-D268 PolarHBondContact N-OD2 3Å; Y265-D268 PolarHBondContact N-OD2 3.33Å; Y265-D268 WeakPolarHBondContact O-CB 3.48Å; Y265-D268 PolarHBondContact O-N 3.43Å; Y265-D268 VanDerWaalsContact O-N 3.11Å; F266-D268 VanDerWaalsContact C-N 3.29Å; F266-D268 PolarHBondContact O-N 3.32Å; D268-T271 PolarHBondContact O-N 2.7Å; D268-L272 VanDerWaalsContact O-CB 3.32Å; D268-L272 WeakPolarHBondContact O-CB 3.33Å; D268-L272 PolarHBondContact O-N 3.48Å
269F93.5Very high91.7Very high3 Ų350 Ų501%0.01325%0.245CC..Hα-helixtrans-59.4-48.3173.9164.6-101.6000111.6I263 Y265 F266 T271 L272 V273 V288 I292 L311 V314 L320 L323I263-F269 HydrophobicContact CG2-CB 4.07Å; Y265-F269 PolarHBondContact O-N 2.9Å; F266-F269 HydrophobicContact CD2-CD1 4.35Å; F266-F269 HydrophobicContact CE2-CD1 4.34Å; F266-F269 WeakPolarHBondContact O-CB 3.48Å; F266-F269 PolarHBondContact O-N 2.94Å; F269-T271 PolarHBondContact O-N 2.62Å; F269-L272 PolarHBondContact O-N 3.3Å; F269-V273 HydrophobicContact CD2-CG2 4.05Å; F269-V273 HydrophobicContact CE1-CG2 4.38Å; F269-V273 HydrophobicContact CE2-CG2 3.66Å; F269-V273 HydrophobicContact CZ-CG2 3.83Å; F269-V273 WeakPolarHBondContact O-CG2 3.49Å; F269-V273 PolarHBondContact O-N 2.97Å; F269-V288 HydrophobicContact CD2-CG1 3.76Å; F269-V288 HydrophobicContact CE2-CG1 3.52Å; F269-I292 HydrophobicContact CD2-CB 4.36Å; F269-I292 HydrophobicContact CD2-CG1 4.49Å; F269-I292 HydrophobicContact CE2-CB 3.76Å; F269-I292 HydrophobicContact CE2-CG1 4.03Å; F269-I292 HydrophobicContact CE2-CG2 3.69Å; F269-I292 HydrophobicContact CZ-CB 4.21Å; F269-I292 HydrophobicContact CZ-CG1 4.11Å; F269-I292 HydrophobicContact CZ-CG2 3.9Å; F269-L311 HydrophobicContact CD1-CD2 4.47Å; F269-L311 HydrophobicContact CE1-CD2 3.9Å; F269-L311 HydrophobicContact CZ-CD2 4.42Å; F269-V314 HydrophobicContact CE1-CG1 3.72Å; F269-V314 HydrophobicContact CZ-CG1 4.43Å; F269-L320 HydrophobicContact CZ-CD1 3.98Å; F269-L323 HydrophobicContact CZ-CD2 4.17Å
270V92.6Very high91.6Very high19 Ų1957 Ų5712%0.11528%0.278CS..Hα-helixtrans-61.1-46178.2174.50000110.8F266 D267 L272 V273 E274 V314 Y318F266-V270 HydrophobicContact CD1-CG2 4.07Å; F266-V270 HydrophobicContact CE1-CG2 3.64Å; F266-V270 HydrophobicContact CE2-CG2 4.3Å; F266-V270 HydrophobicContact CZ-CG2 3.79Å; F266-V270 WeakPolarHBondContact O-CG2 3.43Å; F266-V270 PolarHBondContact O-N 3.25Å; D267-V270 PolarHBondContact O-N 3Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.47Å; V270-V273 PolarHBondContact O-N 2.83Å; V270-E274 WeakPolarHBondContact O-CB 3.46Å; V270-E274 PolarHBondContact O-N 2.73Å; V270-V314 HydrophobicContact CG2-CG1 4.32Å; V270-V314 HydrophobicContact CG2-CG2 3.83Å; V270-Y318 HydrophobicContact CG1-CE2 4.45Å
271T92.8Very high91.7Very high72 Ų7256 Ų5644%0.44227%0.271SS..Hα-helixtrans-59.6-42.3177.7-59.20000111.3F214 D267 D268 F269 G275F214-T271 WeakPolarHBondContact CZ-O 3.36Å; D267-T271 WeakPolarHBondContact O-CB 3.45Å; D267-T271 PolarHBondContact O-N 3.23Å; D267-T271 PolarHBondContact O-OG1 3.49Å; D268-T271 PolarHBondContact O-N 2.7Å; F269-T271 PolarHBondContact O-N 2.62Å; T271-G275 PolarHBondContact O-N 3.42Å
272L94.6Very high91.9Very high3 Ų350.9 Ų50.92%0.01626%0.262CS..Hα-helixtrans-66-50178.8-173.672.8000111.9F214 F255 L259 I263 D268 F269 V270 E274 G275 L276 V288F214-L272 HydrophobicContact CE1-CD1 3.91Å; F214-L272 HydrophobicContact CZ-CD1 4.47Å; F255-L272 HydrophobicContact CE2-CD2 3.99Å; L259-L272 HydrophobicContact CB-CD1 4.31Å; L259-L272 HydrophobicContact CB-CD2 4.49Å; L259-L272 HydrophobicContact CD1-CD1 4.46Å; L259-L272 HydrophobicContact CD2-CD1 4.18Å; I263-L272 HydrophobicContact CD1-CD2 3.52Å; I263-L272 HydrophobicContact CG1-CD2 3.81Å; D268-L272 VanDerWaalsContact O-CB 3.32Å; D268-L272 WeakPolarHBondContact O-CB 3.33Å; D268-L272 PolarHBondContact O-N 3.48Å; F269-L272 PolarHBondContact O-N 3.3Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.47Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 2.95Å; L272-G275 PolarHBondContact O-N 2.93Å; L272-L276 HydrophobicContact CD1-CD1 4.36Å; L272-L276 HydrophobicContact CD1-CG 4.48Å; L272-L276 HydrophobicContact CG-CD1 4.07Å; L272-L276 WeakPolarHBondContact O-CB 3.43Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.21Å; L272-L276 PolarHBondContact O-N 3.46Å; L272-V288 HydrophobicContact CD2-CG1 4.37Å; L272-V288 HydrophobicContact CD2-CG2 3.56Å; L272-V288 HydrophobicContact CG-CG2 4.11Å
273V94.7Very high92.2Very high0 Ų048.2 Ų48.20%025%0.251CS..Hα-helixtrans-60.2-42.8178.3174.90000110.9F269 V270 T277 V288 Y318 L320F269-V273 HydrophobicContact CD2-CG2 4.05Å; F269-V273 HydrophobicContact CE1-CG2 4.38Å; F269-V273 HydrophobicContact CE2-CG2 3.66Å; F269-V273 HydrophobicContact CZ-CG2 3.83Å; F269-V273 WeakPolarHBondContact O-CG2 3.49Å; F269-V273 PolarHBondContact O-N 2.97Å; V270-V273 PolarHBondContact O-N 2.83Å; V273-T277 WeakPolarHBondContact O-CB 3.49Å; V273-T277 PolarHBondContact O-N 2.87Å; V273-T277 PolarHBondContact O-OG1 2.9Å; V273-V288 HydrophobicContact CG2-CB 4.46Å; V273-V288 HydrophobicContact CG2-CG1 3.44Å; V273-V288 VanDerWaalsContact CG2-CG1 3.44Å; V273-Y318 VanDerWaalsContact CG1-CB 3.42Å; V273-Y318 HydrophobicContact CG1-CD1 4Å; V273-Y318 HydrophobicContact CG1-CD2 3.78Å; V273-Y318 HydrophobicContact CG1-CG 3.47Å; V273-Y318 VanDerWaalsContact CG1-CG 3.47Å; V273-L320 HydrophobicContact CG1-CD1 4.23Å; V273-L320 HydrophobicContact CG1-CD2 4.33Å; V273-L320 HydrophobicContact CG2-CD1 4.28Å
274E92.9Very high92.4Very high47 Ų4747 Ų4722%0.2225%0.245CC..Hα-helixtrans-61.3-51.9177.9-179166.3157.700111.6V270 L272 L276 T277 F278 Y318 R360V270-E274 WeakPolarHBondContact O-CB 3.46Å; V270-E274 PolarHBondContact O-N 2.73Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 2.95Å; E274-L276 PolarHBondContact O-N 3.14Å; E274-T277 WeakPolarHBondContact O-CB 3.4Å; E274-T277 PolarHBondContact O-N 3.36Å; E274-T277 VanDerWaalsContact O-N 3.14Å; E274-F278 HydrophobicContact CG-CD2 3.64Å; E274-F278 HydrophobicContact CG-CE2 3.37Å; E274-F278 VanDerWaalsContact O-CD2 3.23Å; E274-F278 WeakPolarHBondContact O-CD2 3.09Å; E274-F278 PolarHBondContact O-N 2.71Å; E274-F278 WeakPolarHBondContact OE1-CE2 3.42Å; E274-Y318 HydrophobicContact CB-CE1 3.74Å; E274-Y318 HydrophobicContact CG-CE1 4.01Å; E274-Y318 PolarHBondContact OE2-OH 2.98Å; E274-R360 IonicContact OE1-CZ 3.9Å; E274-R360 IonicContact OE1-NH2 3.62Å; E274-R360 PolarHBondContact OE1-NH2 2.98Å; E274-R360 IonicContact OE2-CZ 2.61Å; E274-R360 IonicContact OE2-NE 2.59Å; E274-R360 IonicContact OE2-NH2 3.61Å; E274-R360 PolarHBondContact OE2-NH2 3.28Å
275G93.5Very high92.7Very high7 Ų746 Ų467%0.07223%0.233CC..Hα-helixtrans-62.6-41.5-179.800000113.4T271 L272 T277 F278 A279T271-G275 PolarHBondContact O-N 3.42Å; L272-G275 PolarHBondContact O-N 2.93Å; G275-T277 VanDerWaalsContact C-N 3.29Å; G275-T277 PolarHBondContact O-N 2.74Å; G275-F278 PolarHBondContact O-N 3.23Å; G275-A279 VanDerWaalsContact O-CB 3.26Å; G275-A279 WeakPolarHBondContact O-CB 3.23Å; G275-A279 PolarHBondContact O-N 2.96Å
276L94.9Very high93Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-66.3-31.5174.9-67176.2000112.6F214 L259 L272 E274 H280 L281 L284 V288F214-L276 HydrophobicContact CD1-CD2 4.3Å; F214-L276 HydrophobicContact CD1-CG 4.49Å; F214-L276 HydrophobicContact CE1-CG 4.4Å; L259-L276 HydrophobicContact CD1-CD2 4.34Å; L272-L276 HydrophobicContact CD1-CD1 4.36Å; L272-L276 HydrophobicContact CD1-CG 4.48Å; L272-L276 HydrophobicContact CG-CD1 4.07Å; L272-L276 WeakPolarHBondContact O-CB 3.43Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.21Å; L272-L276 PolarHBondContact O-N 3.46Å; E274-L276 PolarHBondContact O-N 3.14Å; L276-H280 PolarHBondContact O-N 3.4Å; L276-L281 HydrophobicContact CD2-CB 4.15Å; L276-L281 HydrophobicContact CD2-CD1 3.89Å; L276-L281 PolarHBondContact O-N 2.8Å; L276-L284 HydrophobicContact CD1-CB 3.98Å; L276-L284 HydrophobicContact CD2-CB 4.02Å; L276-L284 HydrophobicContact CD2-CD1 4.06Å; L276-V288 HydrophobicContact CD1-CG2 3.55Å
277T92.5Very high93.3Very high42 Ų4241.1 Ų41.126%0.25822%0.215SC..Hα-helixtrans-67.5-47.9174.7-60.50000110.6V273 E274 G275 H280 Y318V273-T277 WeakPolarHBondContact O-CB 3.49Å; V273-T277 PolarHBondContact O-N 2.87Å; V273-T277 PolarHBondContact O-OG1 2.9Å; E274-T277 WeakPolarHBondContact O-CB 3.4Å; E274-T277 PolarHBondContact O-N 3.36Å; E274-T277 VanDerWaalsContact O-N 3.14Å; G275-T277 VanDerWaalsContact C-N 3.29Å; G275-T277 PolarHBondContact O-N 2.74Å; T277-H280 PolarHBondContact O-N 2.94Å; T277-H280 VanDerWaalsContact O-N 3.16Å; T277-Y318 HydrophobicContact CG2-CD1 4.45Å
278F92.1Very high93.5Very high143 Ų14335.7 Ų35.763%0.62719%0.186SC*.Hα-helixtrans-67.1-35.1177.2-74.7-59.6000113.3E274 G275 H280E274-F278 HydrophobicContact CG-CD2 3.64Å; E274-F278 HydrophobicContact CG-CE2 3.37Å; E274-F278 VanDerWaalsContact O-CD2 3.23Å; E274-F278 WeakPolarHBondContact O-CD2 3.09Å; E274-F278 PolarHBondContact O-N 2.71Å; E274-F278 WeakPolarHBondContact OE1-CE2 3.42Å; G275-F278 PolarHBondContact O-N 3.23Å; F278-H280 PolarHBondContact O-CD2 2.94Å; F278-H280 PolarHBondContact O-N 3.37Å
279A93.1Very high93.7Very high10 Ų1033.1 Ų33.18%0.08317%0.172CC..THydrogen-bonded Turntrans-76.1-2.5174.900000113.6F214 R218 G275 L281F214-A279 HydrophobicContact CB-CB 3.98Å; R218-A279 HydrophobicContact CB-CB 4.37Å; R218-A279 WeakPolarHBondContact CD-O 3.19Å; R218-A279 PolarHBondContact NE-O 2.99Å; G275-A279 VanDerWaalsContact O-CB 3.26Å; G275-A279 WeakPolarHBondContact O-CB 3.23Å; G275-A279 PolarHBondContact O-N 2.96Å; A279-L281 HydrophobicContact CB-CD1 4.08Å; A279-L281 HydrophobicContact CB-CG 4.22Å
280H92.9Very high93.7Very high149 Ų14934 Ų3469%0.6918%0.175SC*.THydrogen-bonded Turntrans55.649.6-178.2-58.3-70000113.3L276 T277 F278 P282L276-H280 PolarHBondContact O-N 3.4Å; T277-H280 PolarHBondContact O-N 2.94Å; T277-H280 VanDerWaalsContact O-N 3.16Å; F278-H280 PolarHBondContact O-CD2 2.94Å; F278-H280 PolarHBondContact O-N 3.37Å; H280-P282 WeakPolarHBondContact O-CD 3.39Å
281L93.7Very high93.7Very high6 Ų635.2 Ų35.23%0.03118%0.179CC..  trans-109.972.2178.4-67172.8000111.6H217 R218 F221 L276 A279 A283 L284 R285H217-L281 HydrophobicContact CB-CD1 4.49Å; R218-L281 HydrophobicContact CB-CD1 3.93Å; R218-L281 HydrophobicContact CB-CD2 4.33Å; R218-L281 HydrophobicContact CB-CG 4.33Å; R218-L281 HydrophobicContact CG-CD1 4.43Å; R218-L281 HydrophobicContact CG-CD2 4.01Å; R218-L281 HydrophobicContact CG-CG 4.3Å; F221-L281 HydrophobicContact CB-CD2 4.23Å; F221-L281 HydrophobicContact CD1-CD2 3.87Å; F221-L281 HydrophobicContact CG-CD2 4.2Å; L276-L281 HydrophobicContact CD2-CB 4.15Å; L276-L281 HydrophobicContact CD2-CD1 3.89Å; L276-L281 PolarHBondContact O-N 2.8Å; A279-L281 HydrophobicContact CB-CD1 4.08Å; A279-L281 HydrophobicContact CB-CG 4.22Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.42Å; L281-L284 HydrophobicContact CB-CB 4.35Å; L281-L284 HydrophobicContact CB-CD1 4.25Å; L281-L284 HydrophobicContact CD1-CD1 3.89Å; L281-L284 PolarHBondContact O-N 3.02Å; L281-R285 PolarHBondContact O-N 2.91Å
282P92.8Very high93.8Very high81 Ų8132 Ų3253%0.52616%0.159SC..Hα-helixtrans-64.6-32.7-172.726-35.3000113.6H280 R285 K286H280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-R285 PolarHBondContact O-N 2.82Å; P282-K286 WeakPolarHBondContact O-CG 3.33Å; P282-K286 PolarHBondContact O-N 2.81Å
283A92.6Very high93.7Very high14 Ų1431.8 Ų31.812%0.11616%0.158CC..Hα-helixtrans-65.4-45.3178.700000111.7F221 R247 A251 L281 K286 E287F221-A283 HydrophobicContact CE1-CB 4.44Å; F221-A283 HydrophobicContact CZ-CB 3.9Å; R247-A283 HydrophobicContact CG-CB 4.09Å; A251-A283 HydrophobicContact CB-CB 3.82Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.42Å; A283-K286 PolarHBondContact O-N 2.88Å; A283-E287 PolarHBondContact O-N 2.88Å
284L94.3Very high93.5Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-67.2-36.6174.5-69.7171.8000111.8F221 A251 Y254 F255 L259 L276 L281 K286 E287 V288F221-L284 HydrophobicContact CB-CD1 4.47Å; F221-L284 HydrophobicContact CD2-CD1 3.71Å; F221-L284 HydrophobicContact CD2-CD2 4.13Å; F221-L284 HydrophobicContact CD2-CG 3.87Å; F221-L284 HydrophobicContact CE2-CD1 4.22Å; F221-L284 HydrophobicContact CE2-CD2 4.02Å; F221-L284 HydrophobicContact CE2-CG 3.85Å; F221-L284 HydrophobicContact CG-CD1 4.14Å; A251-L284 HydrophobicContact CB-CD2 4.1Å; A251-L284 WeakPolarHBondContact O-CD2 3.39Å; Y254-L284 HydrophobicContact CD1-CD1 4.19Å; Y254-L284 HydrophobicContact CD1-CD2 3.98Å; Y254-L284 HydrophobicContact CE1-CD1 4.49Å; F255-L284 HydrophobicContact CB-CD2 4.22Å; L259-L284 HydrophobicContact CD1-CD1 4.09Å; L259-L284 HydrophobicContact CD1-CD2 4.11Å; L276-L284 HydrophobicContact CD1-CB 3.98Å; L276-L284 HydrophobicContact CD2-CB 4.02Å; L276-L284 HydrophobicContact CD2-CD1 4.06Å; L281-L284 HydrophobicContact CB-CB 4.35Å; L281-L284 HydrophobicContact CB-CD1 4.25Å; L281-L284 HydrophobicContact CD1-CD1 3.89Å; L281-L284 PolarHBondContact O-N 3.02Å; L284-K286 VanDerWaalsContact C-N 3.25Å; L284-K286 PolarHBondContact O-N 3.26Å; L284-E287 PolarHBondContact O-N 3.28Å; L284-E287 VanDerWaalsContact O-N 3.11Å; L284-V288 WeakPolarHBondContact O-CG2 3.38Å; L284-V288 PolarHBondContact O-N 3.11Å
285R95Very high93.4Very high49 Ų4935.6 Ų35.619%0.18518%0.175CC..Hα-helixtrans-59.4-37.5173.7-172.3179.265.1169.8-1.3111.9L281 P282 E287 V288 E289 Y318 L320L281-R285 PolarHBondContact O-N 2.91Å; P282-R285 PolarHBondContact O-N 2.82Å; R285-E287 VanDerWaalsContact C-N 3.34Å; R285-V288 PolarHBondContact O-N 3.4Å; R285-E289 WeakPolarHBondContact O-CB 3.38Å; R285-E289 PolarHBondContact O-N 3.01Å; R285-Y318 PolarHBondContact NH1-O 3.48Å; R285-L320 HydrophobicContact CG-CD2 3.78Å
286K94.3Very high93.2Very high45 Ų4535.3 Ų35.320%0.19617%0.172CC..Hα-helixtrans-67.6-32.1175.2-72.9-71.3170.7-166.40113L171 P172 P282 A283 L284 E289 R290L171-K286 HydrophobicContact CD2-CD 3.76Å; P172-K286 HydrophobicContact CG-CB 4.16Å; P172-K286 HydrophobicContact CG-CG 4.35Å; P282-K286 WeakPolarHBondContact O-CG 3.33Å; P282-K286 PolarHBondContact O-N 2.81Å; A283-K286 PolarHBondContact O-N 2.88Å; L284-K286 VanDerWaalsContact C-N 3.25Å; L284-K286 PolarHBondContact O-N 3.26Å; K286-E289 WeakPolarHBondContact CD-OE2 3.45Å; K286-E289 IonicContact NZ-OE2 3.95Å; K286-E289 PolarHBondContact NZ-OE2 3.39Å; K286-E289 WeakPolarHBondContact O-CB 3.3Å; K286-E289 PolarHBondContact O-N 3.06Å; K286-R290 WeakPolarHBondContact O-CB 3.35Å; K286-R290 PolarHBondContact O-N 3.12Å
287E93.8Very high92.9Very high5 Ų538.4 Ų38.42%0.02319%0.188CC..Hα-helixtrans-74.1-34.6173.2-68.6-58.4119.300112.7A251 H252 F255 A283 L284 R285 E289 R290 F291A251-E287 HydrophobicContact CB-CG 3.99Å; H252-E287 HydrophobicContact CB-CG 4.47Å; H252-E287 IonicContact CE1-OE2 3.15Å; H252-E287 IonicContact CG-OE2 3.15Å; H252-E287 IonicContact ND1-OE2 2.93Å; H252-E287 PolarHBondContact ND1-OE2 2.96Å; F255-E287 HydrophobicContact CB-CB 3.87Å; F255-E287 HydrophobicContact CD1-CB 4.12Å; F255-E287 HydrophobicContact CD2-CB 4.45Å; F255-E287 HydrophobicContact CG-CB 3.86Å; A283-E287 PolarHBondContact O-N 2.88Å; L284-E287 PolarHBondContact O-N 3.28Å; L284-E287 VanDerWaalsContact O-N 3.11Å; R285-E287 VanDerWaalsContact C-N 3.34Å; E287-E289 VanDerWaalsContact C-N 3.32Å; E287-R290 WeakPolarHBondContact O-CB 3.25Å; E287-R290 PolarHBondContact O-N 2.98Å; E287-R290 IonicContact OE1-NE 3.79Å; E287-R290 PolarHBondContact OE1-NE 3.43Å; E287-R290 IonicContact OE2-NE 3.99Å; E287-F291 WeakPolarHBondContact O-CB 3.41Å; E287-F291 PolarHBondContact O-N 3.04Å
288V94.9Very high92.6Very high0 Ų042.5 Ų42.50%020%0.204CC..Hα-helixtrans-61.9-43169.1177.20000111F255 F269 L272 V273 L276 L284 R285 F291 I292F255-V288 HydrophobicContact CD2-CG2 3.87Å; F255-V288 HydrophobicContact CE2-CB 4.34Å; F255-V288 HydrophobicContact CE2-CG2 3.53Å; F255-V288 HydrophobicContact CZ-CG2 4.43Å; F269-V288 HydrophobicContact CD2-CG1 3.76Å; F269-V288 HydrophobicContact CE2-CG1 3.52Å; L272-V288 HydrophobicContact CD2-CG1 4.37Å; L272-V288 HydrophobicContact CD2-CG2 3.56Å; L272-V288 HydrophobicContact CG-CG2 4.11Å; V273-V288 HydrophobicContact CG2-CB 4.46Å; V273-V288 HydrophobicContact CG2-CG1 3.44Å; V273-V288 VanDerWaalsContact CG2-CG1 3.44Å; L276-V288 HydrophobicContact CD1-CG2 3.55Å; L284-V288 WeakPolarHBondContact O-CG2 3.38Å; L284-V288 PolarHBondContact O-N 3.11Å; R285-V288 PolarHBondContact O-N 3.4Å; V288-F291 PolarHBondContact O-N 2.66Å; V288-I292 WeakPolarHBondContact O-CG2 3.44Å; V288-I292 PolarHBondContact O-N 2.92Å; V288-I292 VanDerWaalsContact O-N 3.11Å
289E95.4Very high92.3Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-61.1-43.2174.1-172171.6-16200111.7L171 R285 K286 E287 I292 C293 L320 E321 I322 L323L171-E289 HydrophobicContact CD2-CB 4.41Å; L171-E289 HydrophobicContact CD2-CG 4.12Å; R285-E289 WeakPolarHBondContact O-CB 3.38Å; R285-E289 PolarHBondContact O-N 3.01Å; K286-E289 WeakPolarHBondContact CD-OE2 3.45Å; K286-E289 IonicContact NZ-OE2 3.95Å; K286-E289 PolarHBondContact NZ-OE2 3.39Å; K286-E289 WeakPolarHBondContact O-CB 3.3Å; K286-E289 PolarHBondContact O-N 3.06Å; E287-E289 VanDerWaalsContact C-N 3.32Å; E289-I292 WeakPolarHBondContact O-CG2 3.46Å; E289-C293 VanDerWaalsContact O-CB 3.31Å; E289-C293 WeakPolarHBondContact O-CB 3.32Å; E289-C293 PolarHBondContact O-N 3.27Å; E289-C293 PolarHBondContact O-SG 2.7Å; E289-L320 HydrophobicContact CB-CD2 4.32Å; E289-L320 HydrophobicContact CG-CB 4.2Å; E289-L320 VanDerWaalsContact OE1-CA 3.26Å; E289-L320 WeakPolarHBondContact OE1-CA 3.42Å; E289-E321 PolarHBondContact OE1-N 3.09Å; E289-E321 VanDerWaalsContact OE1-N 3.08Å; E289-I322 HydrophobicContact CG-CB 4.47Å; E289-I322 WeakPolarHBondContact OE1-CA 3.48Å; E289-I322 WeakPolarHBondContact OE1-CB 3.37Å; E289-I322 PolarHBondContact OE1-N 2.89Å; E289-L323 HydrophobicContact CG-CB 4.15Å; E289-L323 PolarHBondContact OE1-N 3.48Å
290R94Very high91.8Very high21 Ų2140.9 Ų40.98%0.07920%0.198CC..Hα-helixtrans-57.5-50.9174.3-177.8-179.9-63.6-68.8-1.7111.8L168 L171 P172 K286 E287 I292 C293 Q294L168-R290 HydrophobicContact CD2-CG 4.44Å; L168-R290 PolarHBondContact O-NH1 3.47Å; L171-R290 VanDerWaalsContact CD1-CA 3.43Å; L171-R290 HydrophobicContact CD1-CB 3.72Å; L171-R290 HydrophobicContact CD1-CG 4.27Å; L171-R290 PolarHBondContact O-NH2 2.97Å; P172-R290 PolarHBondContact O-NH2 2.82Å; K286-R290 WeakPolarHBondContact O-CB 3.35Å; K286-R290 PolarHBondContact O-N 3.12Å; E287-R290 WeakPolarHBondContact O-CB 3.25Å; E287-R290 PolarHBondContact O-N 2.98Å; E287-R290 IonicContact OE1-NE 3.79Å; E287-R290 PolarHBondContact OE1-NE 3.43Å; E287-R290 IonicContact OE2-NE 3.99Å; R290-I292 PolarHBondContact O-N 3.28Å; R290-C293 PolarHBondContact O-N 3.16Å; R290-Q294 WeakPolarHBondContact O-CG 3.5Å; R290-Q294 PolarHBondContact O-N 3.34Å
291F93.4Very high91.1Very high45 Ų4538.4 Ų38.420%0.19720%0.203CC..Hα-helixtrans-57.6-49.5-178.5170-99.8000111.9F255 I263 E287 V288 Q294 K295F255-F291 HydrophobicContact CE1-CB 3.6Å; F255-F291 HydrophobicContact CE1-CD2 4.13Å; F255-F291 AromaticContact CE1-CG 3.96Å; F255-F291 HydrophobicContact CE1-CG 3.96Å; F255-F291 HydrophobicContact CZ-CB 3.62Å; F255-F291 HydrophobicContact CZ-CD1 4.23Å; F255-F291 HydrophobicContact CZ-CD2 4.26Å; F255-F291 AromaticContact CZ-CG 3.78Å; F255-F291 HydrophobicContact CZ-CG 3.78Å; I263-F291 HydrophobicContact CB-CE1 4.35Å; I263-F291 HydrophobicContact CD1-CD1 3.93Å; I263-F291 HydrophobicContact CD1-CE1 3.85Å; I263-F291 HydrophobicContact CG2-CE1 4.01Å; E287-F291 WeakPolarHBondContact O-CB 3.41Å; E287-F291 PolarHBondContact O-N 3.04Å; V288-F291 PolarHBondContact O-N 2.66Å; F291-Q294 PolarHBondContact O-N 3.34Å; F291-K295 HydrophobicContact CE1-CG 4.32Å; F291-K295 HydrophobicContact CE2-CG 4.34Å; F291-K295 HydrophobicContact CZ-CG 4.14Å; F291-K295 WeakPolarHBondContact O-CG 3.37Å; F291-K295 PolarHBondContact O-N 2.91Å
292I93.6Very high90.6Very high4 Ų445.4 Ų45.42%0.02124%0.241CC..Hα-helixtrans-71.9-34.1-178.2-166.563.4000112F269 V288 E289 R290 K295 V296 L311 L323F269-I292 HydrophobicContact CD2-CB 4.36Å; F269-I292 HydrophobicContact CD2-CG1 4.49Å; F269-I292 HydrophobicContact CE2-CB 3.76Å; F269-I292 HydrophobicContact CE2-CG1 4.03Å; F269-I292 HydrophobicContact CE2-CG2 3.69Å; F269-I292 HydrophobicContact CZ-CB 4.21Å; F269-I292 HydrophobicContact CZ-CG1 4.11Å; F269-I292 HydrophobicContact CZ-CG2 3.9Å; V288-I292 WeakPolarHBondContact O-CG2 3.44Å; V288-I292 PolarHBondContact O-N 2.92Å; V288-I292 VanDerWaalsContact O-N 3.11Å; E289-I292 WeakPolarHBondContact O-CG2 3.46Å; R290-I292 PolarHBondContact O-N 3.28Å; I292-K295 HydrophobicContact CD1-CB 4.44Å; I292-K295 PolarHBondContact O-N 2.94Å; I292-V296 WeakPolarHBondContact O-CB 3.34Å; I292-V296 VanDerWaalsContact O-CG2 3.28Å; I292-V296 WeakPolarHBondContact O-CG2 3.38Å; I292-V296 PolarHBondContact O-N 3.15Å; I292-L311 HydrophobicContact CD1-CD2 4.23Å; I292-L311 HydrophobicContact CG1-CD1 4.49Å; I292-L311 HydrophobicContact CG1-CD2 3.84Å; I292-L323 HydrophobicContact CG2-CD1 3.98Å; I292-L323 HydrophobicContact CG2-CD2 3.66Å; I292-L323 HydrophobicContact CG2-CG 4.3Å
293C93.1Very high90.3Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-60.4-45171.5-78.60000111.6L168 E289 R290 K295 V296 I297L168-C293 HydrophobicContact CD2-CB 3.86Å; E289-C293 VanDerWaalsContact O-CB 3.31Å; E289-C293 WeakPolarHBondContact O-CB 3.32Å; E289-C293 PolarHBondContact O-N 3.27Å; E289-C293 PolarHBondContact O-SG 2.7Å; R290-C293 PolarHBondContact O-N 3.16Å; C293-K295 VanDerWaalsContact C-N 3.34Å; C293-K295 PolarHBondContact O-N 3.42Å; C293-V296 PolarHBondContact O-N 3.02Å; C293-I297 WeakPolarHBondContact O-CB 3.38Å; C293-I297 WeakPolarHBondContact O-CD1 3.4Å; C293-I297 WeakPolarHBondContact O-CG1 3.38Å; C293-I297 PolarHBondContact O-N 3.31Å
294Q91.3Very high89.9Confident75 Ų7544.6 Ų44.635%0.3523%0.23SC..Hα-helixtrans-58.1-47.3174.7-76.4172-24.400111.1L168 R290 F291 V296 I297 E298L168-Q294 HydrophobicContact CD1-CG 3.63Å; L168-Q294 HydrophobicContact CD2-CG 4.01Å; L168-Q294 HydrophobicContact CG-CG 4.49Å; R290-Q294 WeakPolarHBondContact O-CG 3.5Å; R290-Q294 PolarHBondContact O-N 3.34Å; F291-Q294 PolarHBondContact O-N 3.34Å; Q294-V296 PolarHBondContact O-N 3.16Å; Q294-I297 PolarHBondContact O-N 2.8Å; Q294-E298 WeakPolarHBondContact O-CB 3.36Å; Q294-E298 VanDerWaalsContact O-CG 3.29Å; Q294-E298 WeakPolarHBondContact O-CG 3.28Å; Q294-E298 PolarHBondContact O-N 3.35Å
295K89.9Confident89.5Confident51 Ų5146.7 Ų46.722%0.22224%0.244CC..Hα-helixtrans-60.4-43.8177.7-70.1-72.9155.5-150.90112.6F291 I292 C293 E298 I299F291-K295 HydrophobicContact CE1-CG 4.32Å; F291-K295 HydrophobicContact CE2-CG 4.34Å; F291-K295 HydrophobicContact CZ-CG 4.14Å; F291-K295 WeakPolarHBondContact O-CG 3.37Å; F291-K295 PolarHBondContact O-N 2.91Å; I292-K295 HydrophobicContact CD1-CB 4.44Å; I292-K295 PolarHBondContact O-N 2.94Å; C293-K295 VanDerWaalsContact C-N 3.34Å; C293-K295 PolarHBondContact O-N 3.42Å; K295-E298 IonicContact NZ-OE2 3.65Å; K295-E298 PolarHBondContact NZ-OE2 2.79Å; K295-E298 PolarHBondContact O-N 3.24Å; K295-I299 VanDerWaalsContact O-CG1 3.29Å; K295-I299 WeakPolarHBondContact O-CG1 3.44Å; K295-I299 PolarHBondContact O-N 2.89Å
296V90.4Very high89.2Confident2 Ų245.6 Ų45.61%0.01224%0.244CC..Hα-helixtrans-62.7-42.7177166.80000111.5I292 C293 Q294 Q300 M303 L311 L323 V326 I327I292-V296 WeakPolarHBondContact O-CB 3.34Å; I292-V296 VanDerWaalsContact O-CG2 3.28Å; I292-V296 WeakPolarHBondContact O-CG2 3.38Å; I292-V296 PolarHBondContact O-N 3.15Å; C293-V296 PolarHBondContact O-N 3.02Å; Q294-V296 PolarHBondContact O-N 3.16Å; V296-Q300 VanDerWaalsContact O-CA 3.27Å; V296-Q300 WeakPolarHBondContact O-CA 3.31Å; V296-Q300 WeakPolarHBondContact O-CB 3.42Å; V296-Q300 PolarHBondContact O-N 3.19Å; V296-M303 HydrophobicContact CG1-CE 3.99Å; V296-M303 HydrophobicContact CG1-SD 3.93Å; V296-M303 HydrophobicContact CG2-SD 4.22Å; V296-L311 HydrophobicContact CG2-CD1 3.6Å; V296-L323 HydrophobicContact CG2-CD1 4.37Å; V296-V326 HydrophobicContact CG1-CG1 3.86Å; V296-I327 HydrophobicContact CG1-CD1 3.87Å; V296-I327 HydrophobicContact CG2-CD1 4.08Å
297I87.6Confident89Confident65 Ų6544.4 Ų44.433%0.33324%0.238SC..Hα-helixtrans-64.5-41.7177-67.9163000110.6P167 L168 C293 Q294 Q300P167-I297 HydrophobicContact CB-CD1 4.42Å; P167-I297 HydrophobicContact CG-CD1 4.09Å; L168-I297 HydrophobicContact CD2-CD1 4.47Å; L168-I297 HydrophobicContact CG-CD1 4.35Å; C293-I297 WeakPolarHBondContact O-CB 3.38Å; C293-I297 WeakPolarHBondContact O-CD1 3.4Å; C293-I297 WeakPolarHBondContact O-CG1 3.38Å; C293-I297 PolarHBondContact O-N 3.31Å; Q294-I297 PolarHBondContact O-N 2.8Å; I297-Q300 WeakPolarHBondContact O-CB 3.44Å
298E87.4Confident88.9Confident127 Ų12744.1 Ų44.159%0.59324%0.237SC*.Hα-helixtrans-61.7-47.1177.5-75.2168.9-17300112.3Q294 K295Q294-E298 WeakPolarHBondContact O-CB 3.36Å; Q294-E298 VanDerWaalsContact O-CG 3.29Å; Q294-E298 WeakPolarHBondContact O-CG 3.28Å; Q294-E298 PolarHBondContact O-N 3.35Å; K295-E298 IonicContact NZ-OE2 3.65Å; K295-E298 PolarHBondContact NZ-OE2 2.79Å; K295-E298 PolarHBondContact O-N 3.24Å
299I85.2Confident88.8Confident53 Ų5344.5 Ų44.527%0.27224%0.239SC..THydrogen-bonded Turntrans-92.85.1-174.874.6-173.9000113.5K295 A301 D302 M303 F307 L430K295-I299 VanDerWaalsContact O-CG1 3.29Å; K295-I299 WeakPolarHBondContact O-CG1 3.44Å; K295-I299 PolarHBondContact O-N 2.89Å; I299-A301 VanDerWaalsContact C-N 3.25Å; I299-A301 PolarHBondContact O-N 2.84Å; I299-D302 CarbonylContact O-C 3.6Å; I299-D302 PolarHBondContact O-N 3.31Å; I299-M303 HydrophobicContact CG1-CB 4.28Å; I299-M303 HydrophobicContact CG1-CG 4.49Å; I299-M303 PolarHBondContact O-N 3.19Å; I299-F307 HydrophobicContact CD1-CE1 4.23Å; I299-L430 HydrophobicContact CD1-CD2 3.84Å
300Q81.8Confident88.6Confident66 Ų6647 Ų4731%0.30825%0.249SC..G310 helixtrans-52.3-40.5-165-167.8-159.7-58.400113.7H52 V296 I297 D302 M303 F330H52-Q300 PolarHBondContact CD2-OE1 2.54Å; H52-Q300 PolarHBondContact NE2-NE2 2.97Å; H52-Q300 PolarHBondContact NE2-OE1 3.02Å; H52-Q300 VanDerWaalsContact NE2-OE1 3.16Å; V296-Q300 VanDerWaalsContact O-CA 3.27Å; V296-Q300 WeakPolarHBondContact O-CA 3.31Å; V296-Q300 WeakPolarHBondContact O-CB 3.42Å; V296-Q300 PolarHBondContact O-N 3.19Å; I297-Q300 WeakPolarHBondContact O-CB 3.44Å; Q300-D302 VanDerWaalsContact C-N 3.27Å; Q300-D302 PolarHBondContact O-N 3.4Å; Q300-M303 PolarHBondContact O-N 2.9Å; Q300-F330 HydrophobicContact CG-CD2 3.94Å; Q300-F330 HydrophobicContact CG-CE2 4.13Å; Q300-F330 WeakPolarHBondContact O-CE2 3.37Å
301A78.9Confident88.6Confident97 Ų9746 Ų4680%0.80225%0.246SC*.G310 helixtrans-65.3-31.3-178.700000113.1I299I299-A301 VanDerWaalsContact C-N 3.25Å; I299-A301 PolarHBondContact O-N 2.84Å
302D83.6Confident88.6Confident153 Ų15343.9 Ų43.982%0.81824%0.236SC*.G310 helixtrans-110.59.8-175.6-61-49.4000112.2I299 Q300 D304I299-D302 CarbonylContact O-C 3.6Å; I299-D302 PolarHBondContact O-N 3.31Å; Q300-D302 VanDerWaalsContact C-N 3.27Å; Q300-D302 PolarHBondContact O-N 3.4Å; D302-D304 PolarHBondContact O-N 2.87Å
303M85.2Confident88.6Confident10 Ų1043.8 Ų43.85%0.04924%0.236CC..  trans-70.1123-174.3-173.4166.662.200111.2V296 I299 Q300 P305 F307 A308 I327 F330V296-M303 HydrophobicContact CG1-CE 3.99Å; V296-M303 HydrophobicContact CG1-SD 3.93Å; V296-M303 HydrophobicContact CG2-SD 4.22Å; I299-M303 HydrophobicContact CG1-CB 4.28Å; I299-M303 HydrophobicContact CG1-CG 4.49Å; I299-M303 PolarHBondContact O-N 3.19Å; Q300-M303 PolarHBondContact O-N 2.9Å; M303-P305 WeakPolarHBondContact O-CD 3.33Å; M303-F307 HydrophobicContact CG-CD1 4.08Å; M303-F307 HydrophobicContact SD-CD1 4.1Å; M303-A308 HydrophobicContact CE-CB 3.94Å; M303-A308 HydrophobicContact SD-CB 4.38Å; M303-I327 HydrophobicContact CE-CD1 4.21Å; M303-I327 HydrophobicContact SD-CD1 4.46Å; M303-F330 HydrophobicContact CB-CE2 4.31Å; M303-F330 HydrophobicContact CB-CZ 3.93Å; M303-F330 HydrophobicContact CE-CB 4.25Å; M303-F330 HydrophobicContact CE-CD1 3.33Å; M303-F330 HydrophobicContact CE-CD2 3.58Å; M303-F330 HydrophobicContact CE-CE1 3.33Å; M303-F330 HydrophobicContact CE-CE2 3.59Å; M303-F330 HydrophobicContact CE-CG 3.43Å; M303-F330 VanDerWaalsContact CE-CG 3.43Å; M303-F330 HydrophobicContact CE-CZ 3.43Å; M303-F330 VanDerWaalsContact CE-CZ 3.43Å; M303-F330 HydrophobicContact CG-CZ 4.36Å
304D85.4Confident88.6Confident68 Ų6843.9 Ų43.936%0.36424%0.236SC..  trans-61.3123.5173178.53.4000110.7D302 S306 F307 A308D302-D304 PolarHBondContact O-N 2.87Å; D304-S306 PolarHBondContact O-N 2.98Å; D304-S306 VanDerWaalsContact O-N 3.15Å; D304-S306 WeakPolarHBondContact OD1-CB 3.4Å; D304-S306 PolarHBondContact OD1-N 3.16Å; D304-F307 HydrophobicContact CB-CB 4.13Å; D304-F307 WeakPolarHBondContact O-CB 3.23Å; D304-F307 PolarHBondContact O-N 3.22Å; D304-A308 PolarHBondContact O-N 3.02Å; D304-A308 VanDerWaalsContact O-N 3.11Å
305P85.6Confident88.7Confident45 Ų4540.3 Ų40.329%0.29222%0.22SC..Hα-helixtrans-55-29.9174.4-25.533.9000113.8M303 A308 K309M303-P305 WeakPolarHBondContact O-CD 3.33Å; P305-A308 PolarHBondContact O-N 3.25Å; P305-K309 WeakPolarHBondContact O-CD 3.49Å; P305-K309 VanDerWaalsContact O-CG 3.23Å; P305-K309 WeakPolarHBondContact O-CG 3.29Å; P305-K309 PolarHBondContact O-N 3.04Å
306S87.8Confident88.9Confident26 Ų2640.3 Ų40.318%0.18222%0.221CC..Hα-helixtrans-66.3-40.5174.6178.70000111.6D304 K309 K310 M355D304-S306 PolarHBondContact O-N 2.98Å; D304-S306 VanDerWaalsContact O-N 3.15Å; D304-S306 WeakPolarHBondContact OD1-CB 3.4Å; D304-S306 PolarHBondContact OD1-N 3.16Å; S306-K309 PolarHBondContact O-N 3.22Å; S306-K310 WeakPolarHBondContact O-CG 3.22Å; S306-K310 PolarHBondContact O-N 2.71Å; S306-K310 VanDerWaalsContact O-N 3.1Å; S306-M355 WeakPolarHBondContact OG-CE 3.38Å
307F90Very high88.9Confident19 Ų1943.8 Ų43.88%0.08324%0.236CC..Hα-helixtrans-64.9-43.1176.4-179.7-114.1000111.5F266 I299 M303 D304 K309 K310 L311 L430F266-F307 HydrophobicContact CD2-CD2 4.4Å; F266-F307 AromaticContact CD2-CE2 3.71Å; F266-F307 HydrophobicContact CD2-CE2 3.71Å; F266-F307 HydrophobicContact CE2-CE2 4.37Å; F266-F307 HydrophobicContact CG-CE2 4.45Å; I299-F307 HydrophobicContact CD1-CE1 4.23Å; M303-F307 HydrophobicContact CG-CD1 4.08Å; M303-F307 HydrophobicContact SD-CD1 4.1Å; D304-F307 HydrophobicContact CB-CB 4.13Å; D304-F307 WeakPolarHBondContact O-CB 3.23Å; D304-F307 PolarHBondContact O-N 3.22Å; F307-K309 PolarHBondContact O-N 3.34Å; F307-K310 PolarHBondContact O-N 3.38Å; F307-L311 HydrophobicContact CD1-CD1 3.88Å; F307-L311 HydrophobicContact CE1-CD1 3.34Å; F307-L311 HydrophobicContact CE1-CG 4.09Å; F307-L311 HydrophobicContact CE2-CD1 4.35Å; F307-L311 HydrophobicContact CE2-CG 4.23Å; F307-L311 HydrophobicContact CZ-CD1 3.6Å; F307-L311 HydrophobicContact CZ-CD2 4.16Å; F307-L311 HydrophobicContact CZ-CG 3.92Å; F307-L311 PolarHBondContact O-N 3.25Å; F307-L430 HydrophobicContact CE1-CD2 3.92Å; F307-L430 HydrophobicContact CE2-CD1 4.02Å; F307-L430 HydrophobicContact CE2-CD2 4.44Å; F307-L430 HydrophobicContact CZ-CD1 3.64Å; F307-L430 HydrophobicContact CZ-CD2 3.76Å; F307-L430 HydrophobicContact CZ-CG 4.2Å
308A91.6Very high89Confident0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-57.8-45.4174.400000112M303 D304 P305 K310 L311 L312 I327 F330 L331M303-A308 HydrophobicContact CE-CB 3.94Å; M303-A308 HydrophobicContact SD-CB 4.38Å; D304-A308 PolarHBondContact O-N 3.02Å; D304-A308 VanDerWaalsContact O-N 3.11Å; P305-A308 PolarHBondContact O-N 3.25Å; A308-K310 VanDerWaalsContact C-N 3.35Å; A308-K310 PolarHBondContact O-N 2.95Å; A308-L311 PolarHBondContact O-N 3.35Å; A308-L312 PolarHBondContact O-N 3.36Å; A308-I327 HydrophobicContact CB-CG2 4.27Å; A308-I327 WeakPolarHBondContact O-CG2 3.28Å; A308-F330 HydrophobicContact CB-CD1 3.9Å; A308-F330 HydrophobicContact CB-CE1 3.87Å; A308-L331 HydrophobicContact CB-CD2 4.05Å; A308-L331 HydrophobicContact CB-CG 4.4Å
309K92.6Very high89.3Confident8 Ų839 Ų394%0.03521%0.214CC..Hα-helixtrans-60.4-41.1176.6-71167.6-155.9-176.30112.4P305 S306 F307 L312 L313 L331 E351 L352 M355P305-K309 WeakPolarHBondContact O-CD 3.49Å; P305-K309 VanDerWaalsContact O-CG 3.23Å; P305-K309 WeakPolarHBondContact O-CG 3.29Å; P305-K309 PolarHBondContact O-N 3.04Å; S306-K309 PolarHBondContact O-N 3.22Å; F307-K309 PolarHBondContact O-N 3.34Å; K309-L312 WeakPolarHBondContact O-CB 3.26Å; K309-L312 PolarHBondContact O-N 3.32Å; K309-L313 PolarHBondContact O-N 3.29Å; K309-L331 HydrophobicContact CG-CD1 4.47Å; K309-L331 HydrophobicContact CG-CD2 4.44Å; K309-E351 HydrophobicContact CD-CB 4.26Å; K309-E351 WeakPolarHBondContact CD-OE2 3.33Å; K309-E351 IonicContact NZ-OE1 3.57Å; K309-E351 PolarHBondContact NZ-OE1 3.15Å; K309-E351 IonicContact NZ-OE2 2.8Å; K309-E351 PolarHBondContact NZ-OE2 2.87Å; K309-L352 HydrophobicContact CB-CD2 3.74Å; K309-L352 HydrophobicContact CG-CD2 4.16Å; K309-M355 HydrophobicContact CB-CE 4.42Å; K309-M355 HydrophobicContact CB-SD 3.78Å; K309-M355 HydrophobicContact CD-CE 4.23Å
310K92.2Very high89.7Confident52 Ų5236.5 Ų36.523%0.22620%0.201CC..Hα-helixtrans-64.8-45.3175.1-68.4-173.6177.3-168.30112.1F266 S306 F307 A308 L312 L313 V314 M355 E358 I359F266-K310 HydrophobicContact CE1-CB 4.25Å; F266-K310 HydrophobicContact CE1-CD 4.39Å; F266-K310 HydrophobicContact CE2-CB 4.12Å; F266-K310 HydrophobicContact CZ-CB 3.67Å; S306-K310 WeakPolarHBondContact O-CG 3.22Å; S306-K310 PolarHBondContact O-N 2.71Å; S306-K310 VanDerWaalsContact O-N 3.1Å; F307-K310 PolarHBondContact O-N 3.38Å; A308-K310 VanDerWaalsContact C-N 3.35Å; A308-K310 PolarHBondContact O-N 2.95Å; K310-L312 VanDerWaalsContact C-N 3.26Å; K310-L312 PolarHBondContact O-N 3.11Å; K310-L313 PolarHBondContact O-N 3.28Å; K310-V314 WeakPolarHBondContact O-CG2 3.42Å; K310-V314 PolarHBondContact O-N 3.3Å; K310-V314 VanDerWaalsContact O-N 3.11Å; K310-M355 HydrophobicContact CG-CG 4.43Å; K310-M355 HydrophobicContact CG-SD 3.76Å; K310-E358 IonicContact NZ-OE2 2.7Å; K310-I359 HydrophobicContact CB-CD1 4.16Å; K310-I359 HydrophobicContact CG-CD1 4.15Å
311L93.6Very high90.2Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-60.4-37.7175-75.6175.6000111.8F266 F269 I292 V296 F307 A308 V314 S315 L323 I327F266-L311 HydrophobicContact CD2-CD2 4.39Å; F266-L311 HydrophobicContact CE2-CD2 3.91Å; F266-L311 HydrophobicContact CE2-CG 4.35Å; F269-L311 HydrophobicContact CD1-CD2 4.47Å; F269-L311 HydrophobicContact CE1-CD2 3.9Å; F269-L311 HydrophobicContact CZ-CD2 4.42Å; I292-L311 HydrophobicContact CD1-CD2 4.23Å; I292-L311 HydrophobicContact CG1-CD1 4.49Å; I292-L311 HydrophobicContact CG1-CD2 3.84Å; V296-L311 HydrophobicContact CG2-CD1 3.6Å; F307-L311 HydrophobicContact CD1-CD1 3.88Å; F307-L311 HydrophobicContact CE1-CD1 3.34Å; F307-L311 HydrophobicContact CE1-CG 4.09Å; F307-L311 HydrophobicContact CE2-CD1 4.35Å; F307-L311 HydrophobicContact CE2-CG 4.23Å; F307-L311 HydrophobicContact CZ-CD1 3.6Å; F307-L311 HydrophobicContact CZ-CD2 4.16Å; F307-L311 HydrophobicContact CZ-CG 3.92Å; F307-L311 PolarHBondContact O-N 3.25Å; A308-L311 PolarHBondContact O-N 3.35Å; L311-V314 PolarHBondContact O-N 3.23Å; L311-S315 VanDerWaalsContact O-CB 3.24Å; L311-S315 WeakPolarHBondContact O-CB 3.49Å; L311-S315 PolarHBondContact O-N 3.03Å; L311-S315 PolarHBondContact O-OG 3.46Å; L311-L323 HydrophobicContact CD2-CD2 4.34Å; L311-I327 HydrophobicContact CB-CD1 4.15Å; L311-I327 HydrophobicContact CB-CG1 4.1Å; L311-I327 HydrophobicContact CD1-CD1 3.88Å
312L94.1Very high90.9Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-60.9-47.5177.7-170.652.1000111.8A308 K309 K310 V314 S315 E316 K324 I327 N328 L331 V372 L376A308-L312 PolarHBondContact O-N 3.36Å; K309-L312 WeakPolarHBondContact O-CB 3.26Å; K309-L312 PolarHBondContact O-N 3.32Å; K310-L312 VanDerWaalsContact C-N 3.26Å; K310-L312 PolarHBondContact O-N 3.11Å; L312-V314 PolarHBondContact O-N 3.26Å; L312-S315 WeakPolarHBondContact CA-OG 3.43Å; L312-S315 PolarHBondContact O-N 3.16Å; L312-S315 PolarHBondContact O-OG 3.13Å; L312-E316 PolarHBondContact O-N 2.88Å; L312-K324 HydrophobicContact CD1-CG 3.92Å; L312-I327 HydrophobicContact CB-CG2 3.72Å; L312-I327 HydrophobicContact CD1-CB 4.47Å; L312-I327 HydrophobicContact CD1-CG2 4.18Å; L312-I327 HydrophobicContact CD2-CG2 4.48Å; L312-I327 HydrophobicContact CG-CG2 4.35Å; L312-N328 WeakPolarHBondContact CD1-OD1 3.31Å; L312-L331 HydrophobicContact CD2-CD1 3.63Å; L312-V372 HydrophobicContact CD1-CG1 4.38Å; L312-V372 HydrophobicContact CD2-CG1 3.24Å; L312-V372 HydrophobicContact CG-CG1 3.5Å; L312-V372 HydrophobicContact CG-CG2 4.23Å; L312-L376 HydrophobicContact CD2-CD1 3.87Å; L312-L376 HydrophobicContact CD2-CD2 4.41Å; L312-L376 HydrophobicContact CD2-CG 4.24Å
313L92.8Very high91.5Very high3 Ų327 Ų272%0.01614%0.135CC..Hα-helixtrans-61.5-43.3177.5-67.2171.4000112.3K309 K310 K317 L352 M355 A356 I359 L368 V369K309-L313 PolarHBondContact O-N 3.29Å; K310-L313 PolarHBondContact O-N 3.28Å; L313-K317 WeakPolarHBondContact O-CB 3.41Å; L313-K317 PolarHBondContact O-N 3.28Å; L313-K317 VanDerWaalsContact O-N 3.09Å; L313-L352 HydrophobicContact CD1-CD2 3.99Å; L313-L352 HydrophobicContact CD2-CD2 3.99Å; L313-L352 HydrophobicContact CG-CD2 3.77Å; L313-M355 HydrophobicContact CD1-CB 4.02Å; L313-A356 HydrophobicContact CD1-CB 3.98Å; L313-A356 HydrophobicContact CD2-CB 4.43Å; L313-I359 HydrophobicContact CB-CD1 4.11Å; L313-I359 HydrophobicContact CD1-CD1 3.82Å; L313-L368 HydrophobicContact CD2-CD2 4.28Å; L313-L368 HydrophobicContact CD2-CG 4.26Å; L313-V369 HydrophobicContact CD2-CG2 4.02Å
314V92.4Very high91.9Very high1 Ų128.2 Ų28.21%0.00614%0.14CC..Hα-helixtrans-66.3-41.8177.3175.10000110.7F266 F269 V270 K310 L311 L312 E316 K317 Y318 I359F266-V314 HydrophobicContact CE1-CG2 4.44Å; F266-V314 HydrophobicContact CE2-CG2 4.32Å; F266-V314 HydrophobicContact CZ-CG2 3.62Å; F269-V314 HydrophobicContact CE1-CG1 3.72Å; F269-V314 HydrophobicContact CZ-CG1 4.43Å; V270-V314 HydrophobicContact CG2-CG1 4.32Å; V270-V314 HydrophobicContact CG2-CG2 3.83Å; K310-V314 WeakPolarHBondContact O-CG2 3.42Å; K310-V314 PolarHBondContact O-N 3.3Å; K310-V314 VanDerWaalsContact O-N 3.11Å; L311-V314 PolarHBondContact O-N 3.23Å; L312-V314 PolarHBondContact O-N 3.26Å; V314-E316 PolarHBondContact O-N 2.73Å; V314-K317 PolarHBondContact O-N 3.05Å; V314-Y318 HydrophobicContact CG1-CD2 3.68Å; V314-Y318 HydrophobicContact CG1-CE2 3.95Å; V314-Y318 VanDerWaalsContact O-CD2 3.29Å; V314-Y318 WeakPolarHBondContact O-CD2 3.41Å; V314-Y318 PolarHBondContact O-N 3.12Å; V314-I359 HydrophobicContact CG2-CG2 4.5Å
315S94.6Very high92.3Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-63-42.6-179.472.10000112.4L311 L312 N319 L320 K324L311-S315 VanDerWaalsContact O-CB 3.24Å; L311-S315 WeakPolarHBondContact O-CB 3.49Å; L311-S315 PolarHBondContact O-N 3.03Å; L311-S315 PolarHBondContact O-OG 3.46Å; L312-S315 WeakPolarHBondContact CA-OG 3.43Å; L312-S315 PolarHBondContact O-N 3.16Å; L312-S315 PolarHBondContact O-OG 3.13Å; S315-N319 WeakPolarHBondContact O-CA 2.8Å; S315-N319 PolarHBondContact O-N 3.39Å; S315-L320 PolarHBondContact O-N 2.78Å; S315-K324 WeakPolarHBondContact OG-CA 3.49Å; S315-K324 WeakPolarHBondContact OG-CB 3.37Å
316E92.9Very high92.6Very high52 Ų5224 Ų2424%0.24312%0.115CC..Hα-helixtrans-63.8-48.1174.4-18064.1-174.600111.4L312 V314 Y318 N319 K324 L368 V372L312-E316 PolarHBondContact O-N 2.88Å; V314-E316 PolarHBondContact O-N 2.73Å; E316-Y318 PolarHBondContact O-N 3.28Å; E316-N319 PolarHBondContact O-N 3.25Å; E316-K324 IonicContact OE1-NZ 3.6Å; E316-K324 WeakPolarHBondContact OE2-CD 3.41Å; E316-K324 WeakPolarHBondContact OE2-CE 3.42Å; E316-K324 IonicContact OE2-NZ 2.77Å; E316-K324 PolarHBondContact OE2-NZ 2.69Å; E316-L368 HydrophobicContact CB-CD1 3.72Å; E316-L368 HydrophobicContact CG-CD1 3.35Å; E316-V372 HydrophobicContact CB-CG2 3.83Å; E316-V372 HydrophobicContact CG-CG2 3.96Å
317K90.3Very high92.9Very high75 Ų7522.7 Ų22.733%0.32611%0.106SC..Hα-helixtrans-60.5-42.4-176.5-178.5-176.6175-162.40113.3L313 V314 L368L313-K317 WeakPolarHBondContact O-CB 3.41Å; L313-K317 PolarHBondContact O-N 3.28Å; L313-K317 VanDerWaalsContact O-N 3.09Å; V314-K317 PolarHBondContact O-N 3.05Å; K317-L368 HydrophobicContact CB-CD1 4.25Å
318Y91.8Very high93Very high14 Ų1422.4 Ų22.46%0.05511%0.105CC..THydrogen-bonded Turntrans-102.211.1-175.7-59.4-78.4000113.5V270 V273 E274 T277 R285 V314 E316V270-Y318 HydrophobicContact CG1-CE2 4.45Å; V273-Y318 VanDerWaalsContact CG1-CB 3.42Å; V273-Y318 HydrophobicContact CG1-CD1 4Å; V273-Y318 HydrophobicContact CG1-CD2 3.78Å; V273-Y318 HydrophobicContact CG1-CG 3.47Å; V273-Y318 VanDerWaalsContact CG1-CG 3.47Å; E274-Y318 HydrophobicContact CB-CE1 3.74Å; E274-Y318 HydrophobicContact CG-CE1 4.01Å; E274-Y318 PolarHBondContact OE2-OH 2.98Å; T277-Y318 HydrophobicContact CG2-CD1 4.45Å; R285-Y318 PolarHBondContact NH1-O 3.48Å; V314-Y318 HydrophobicContact CG1-CD2 3.68Å; V314-Y318 HydrophobicContact CG1-CE2 3.95Å; V314-Y318 VanDerWaalsContact O-CD2 3.29Å; V314-Y318 WeakPolarHBondContact O-CD2 3.41Å; V314-Y318 PolarHBondContact O-N 3.12Å; E316-Y318 PolarHBondContact O-N 3.28Å
319N91.9Very high92.9Very high78 Ų7822.4 Ų22.442%0.41711%0.105SC..THydrogen-bonded Turntrans55.150179.2-160.372.7000113.1S315 E316 E321S315-N319 WeakPolarHBondContact O-CA 2.8Å; S315-N319 PolarHBondContact O-N 3.39Å; E316-N319 PolarHBondContact O-N 3.25Å; N319-E321 PolarHBondContact ND2-OE1 3.03Å; N319-E321 PolarHBondContact O-N 3.27Å
320L94.6Very high92.8Very high0 Ų022.6 Ų22.60%011%0.106CC..  trans-89.975.4171.1-51.3-177.9000108.8F269 V273 R285 E289 S315 I322 L323 K324F269-L320 HydrophobicContact CZ-CD1 3.98Å; V273-L320 HydrophobicContact CG1-CD1 4.23Å; V273-L320 HydrophobicContact CG1-CD2 4.33Å; V273-L320 HydrophobicContact CG2-CD1 4.28Å; R285-L320 HydrophobicContact CG-CD2 3.78Å; E289-L320 HydrophobicContact CB-CD2 4.32Å; E289-L320 HydrophobicContact CG-CB 4.2Å; E289-L320 VanDerWaalsContact OE1-CA 3.26Å; E289-L320 WeakPolarHBondContact OE1-CA 3.42Å; S315-L320 PolarHBondContact O-N 2.78Å; L320-I322 PolarHBondContact O-N 3.35Å; L320-L323 HydrophobicContact CB-CB 4.01Å; L320-L323 HydrophobicContact CB-CD2 4.39Å; L320-L323 HydrophobicContact CD1-CD2 3.87Å; L320-L323 PolarHBondContact O-N 2.92Å; L320-K324 WeakPolarHBondContact O-CB 3.2Å; L320-K324 PolarHBondContact O-N 3.36Å
321E92.9Very high92.7Very high108 Ų10820.1 Ų20.151%0.50510%0.095SC..Hα-helixtrans-59-40.2-170.3-66.1172.9-165.200114.6E289 N319 M325E289-E321 PolarHBondContact OE1-N 3.09Å; E289-E321 VanDerWaalsContact OE1-N 3.08Å; N319-E321 PolarHBondContact ND2-OE1 3.03Å; N319-E321 PolarHBondContact O-N 3.27Å; E321-M325 WeakPolarHBondContact O-CB 3.15Å; E321-M325 PolarHBondContact O-N 3.3Å
322I93.8Very high92.5Very high8 Ų820.1 Ų20.14%0.04110%0.095CC..Hα-helixtrans-73.2-42.8-179-53.1-48.1000109.7P167 Y170 L171 E289 L320 M325 V326P167-I322 HydrophobicContact CB-CG2 4.14Å; P167-I322 WeakPolarHBondContact O-CG2 3.41Å; Y170-I322 VanDerWaalsContact CB-CD1 3.44Å; Y170-I322 HydrophobicContact CG-CD1 4.35Å; L171-I322 HydrophobicContact CD1-CG2 4.43Å; L171-I322 HydrophobicContact CD2-CB 4.11Å; L171-I322 HydrophobicContact CD2-CG1 3.64Å; L171-I322 HydrophobicContact CG-CB 4.33Å; L171-I322 HydrophobicContact CG-CG1 4.02Å; L171-I322 HydrophobicContact CG-CG2 4.28Å; E289-I322 HydrophobicContact CG-CB 4.47Å; E289-I322 WeakPolarHBondContact OE1-CA 3.48Å; E289-I322 WeakPolarHBondContact OE1-CB 3.37Å; E289-I322 PolarHBondContact OE1-N 2.89Å; L320-I322 PolarHBondContact O-N 3.35Å; I322-M325 HydrophobicContact CG2-CE 4.29Å; I322-M325 PolarHBondContact O-N 3.49Å; I322-V326 WeakPolarHBondContact O-CG2 3.38Å; I322-V326 PolarHBondContact O-N 2.83Å
323L95.1Very high92.1Very high0 Ų023.6 Ų23.60%011%0.114CC..Hα-helixtrans-61.5-46.1173.817962.3000111.1F269 E289 I292 V296 L311 L320 M325 V326 I327F269-L323 HydrophobicContact CZ-CD2 4.17Å; E289-L323 HydrophobicContact CG-CB 4.15Å; E289-L323 PolarHBondContact OE1-N 3.48Å; I292-L323 HydrophobicContact CG2-CD1 3.98Å; I292-L323 HydrophobicContact CG2-CD2 3.66Å; I292-L323 HydrophobicContact CG2-CG 4.3Å; V296-L323 HydrophobicContact CG2-CD1 4.37Å; L311-L323 HydrophobicContact CD2-CD2 4.34Å; L320-L323 HydrophobicContact CB-CB 4.01Å; L320-L323 HydrophobicContact CB-CD2 4.39Å; L320-L323 HydrophobicContact CD1-CD2 3.87Å; L320-L323 PolarHBondContact O-N 2.92Å; L323-M325 VanDerWaalsContact C-N 3.29Å; L323-M325 PolarHBondContact O-N 2.93Å; L323-V326 PolarHBondContact O-N 3.41Å; L323-I327 HydrophobicContact CD1-CD1 4.33Å; L323-I327 HydrophobicContact CD1-CG1 3.86Å; L323-I327 HydrophobicContact CG-CG1 4.24Å; L323-I327 VanDerWaalsContact O-CG1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.07Å; L323-I327 PolarHBondContact O-N 3.03Å
324K94.8Very high91.7Very high36 Ų3626.6 Ų26.616%0.15713%0.128CC..Hα-helixtrans-55.2-46.8177-177-176.6173-174.50110.8L312 S315 E316 L320 I327 N328 D375L312-K324 HydrophobicContact CD1-CG 3.92Å; S315-K324 WeakPolarHBondContact OG-CA 3.49Å; S315-K324 WeakPolarHBondContact OG-CB 3.37Å; E316-K324 IonicContact OE1-NZ 3.6Å; E316-K324 WeakPolarHBondContact OE2-CD 3.41Å; E316-K324 WeakPolarHBondContact OE2-CE 3.42Å; E316-K324 IonicContact OE2-NZ 2.77Å; E316-K324 PolarHBondContact OE2-NZ 2.69Å; L320-K324 WeakPolarHBondContact O-CB 3.2Å; L320-K324 PolarHBondContact O-N 3.36Å; K324-I327 PolarHBondContact O-N 3.42Å; K324-N328 VanDerWaalsContact O-CB 3.22Å; K324-N328 WeakPolarHBondContact O-CB 3.38Å; K324-N328 PolarHBondContact O-N 3.03Å; K324-D375 WeakPolarHBondContact CE-OD2 3.11Å; K324-D375 IonicContact NZ-OD2 2.99Å; K324-D375 PolarHBondContact NZ-OD2 2.89Å
325M92.6Very high91.5Very high22 Ų2226.6 Ų26.611%0.10813%0.128CC..Hα-helixtrans-58.7-51.4177.1178.1-176.660.800111.8V53 P89 Y170 E321 I322 L323 I327 N328 G329V53-M325 HydrophobicContact CB-CE 4.38Å; V53-M325 HydrophobicContact CB-SD 4.38Å; V53-M325 HydrophobicContact CG1-CE 4.1Å; V53-M325 HydrophobicContact CG1-SD 3.91Å; V53-M325 HydrophobicContact CG2-CE 3.91Å; P89-M325 HydrophobicContact CB-CE 3.99Å; P89-M325 HydrophobicContact CB-SD 3.71Å; P89-M325 HydrophobicContact CG-SD 4.12Å; Y170-M325 HydrophobicContact CD2-CE 4.13Å; Y170-M325 HydrophobicContact CE2-CE 4.48Å; E321-M325 WeakPolarHBondContact O-CB 3.15Å; E321-M325 PolarHBondContact O-N 3.3Å; I322-M325 HydrophobicContact CG2-CE 4.29Å; I322-M325 PolarHBondContact O-N 3.49Å; L323-M325 VanDerWaalsContact C-N 3.29Å; L323-M325 PolarHBondContact O-N 2.93Å; M325-I327 VanDerWaalsContact C-N 3.33Å; M325-I327 PolarHBondContact O-N 3.18Å; M325-N328 PolarHBondContact O-N 3.49Å; M325-G329 PolarHBondContact O-N 3.4Å
326V92Very high91.1Very high1 Ų129.3 Ų29.31%0.00614%0.142CC..Hα-helixtrans-59-45.5-179.4172.80000111.2H52 P167 V296 I322 L323 G329 F330H52-V326 HydrophobicContact CB-CG1 4.38Å; H52-V326 WeakPolarHBondContact CB-O 3.36Å; P167-V326 HydrophobicContact CB-CG2 3.44Å; P167-V326 VanDerWaalsContact CB-CG2 3.44Å; P167-V326 HydrophobicContact CG-CG2 3.49Å; P167-V326 VanDerWaalsContact CG-CG2 3.49Å; V296-V326 HydrophobicContact CG1-CG1 3.86Å; I322-V326 WeakPolarHBondContact O-CG2 3.38Å; I322-V326 PolarHBondContact O-N 2.83Å; L323-V326 PolarHBondContact O-N 3.41Å; V326-G329 PolarHBondContact O-N 2.95Å; V326-F330 PolarHBondContact O-N 2.88Å
327I94.3Very high90.5Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-69.9-38.1-179.3-62.7-61.8000111.7V296 M303 A308 L311 L312 L323 K324 M325 F330 L331V296-I327 HydrophobicContact CG1-CD1 3.87Å; V296-I327 HydrophobicContact CG2-CD1 4.08Å; M303-I327 HydrophobicContact CE-CD1 4.21Å; M303-I327 HydrophobicContact SD-CD1 4.46Å; A308-I327 HydrophobicContact CB-CG2 4.27Å; A308-I327 WeakPolarHBondContact O-CG2 3.28Å; L311-I327 HydrophobicContact CB-CD1 4.15Å; L311-I327 HydrophobicContact CB-CG1 4.1Å; L311-I327 HydrophobicContact CD1-CD1 3.88Å; L312-I327 HydrophobicContact CB-CG2 3.72Å; L312-I327 HydrophobicContact CD1-CB 4.47Å; L312-I327 HydrophobicContact CD1-CG2 4.18Å; L312-I327 HydrophobicContact CD2-CG2 4.48Å; L312-I327 HydrophobicContact CG-CG2 4.35Å; L323-I327 HydrophobicContact CD1-CD1 4.33Å; L323-I327 HydrophobicContact CD1-CG1 3.86Å; L323-I327 HydrophobicContact CG-CG1 4.24Å; L323-I327 VanDerWaalsContact O-CG1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.07Å; L323-I327 PolarHBondContact O-N 3.03Å; K324-I327 PolarHBondContact O-N 3.42Å; M325-I327 VanDerWaalsContact C-N 3.33Å; M325-I327 PolarHBondContact O-N 3.18Å; I327-F330 PolarHBondContact O-N 2.63Å; I327-L331 HydrophobicContact CG2-CD1 4.09Å; I327-L331 HydrophobicContact CG2-CG 4.49Å; I327-L331 WeakPolarHBondContact O-CG 3.49Å; I327-L331 PolarHBondContact O-N 3.05Å
328N91.9Very high90.2Very high12 Ų1229.7 Ų29.76%0.06417%0.165CC..Hα-helixtrans-60.2-46172.6-88.6-22.3000111.4L312 K324 M325 L331 V332 L376 L379L312-N328 WeakPolarHBondContact CD1-OD1 3.31Å; K324-N328 VanDerWaalsContact O-CB 3.22Å; K324-N328 WeakPolarHBondContact O-CB 3.38Å; K324-N328 PolarHBondContact O-N 3.03Å; M325-N328 PolarHBondContact O-N 3.49Å; N328-L331 PolarHBondContact O-N 2.95Å; N328-V332 VanDerWaalsContact O-CB 3.29Å; N328-V332 WeakPolarHBondContact O-CB 3.46Å; N328-V332 WeakPolarHBondContact O-CG2 3.47Å; N328-V332 PolarHBondContact O-N 3.2Å; N328-L376 VanDerWaalsContact OD1-CD2 3.32Å; N328-L376 WeakPolarHBondContact OD1-CD2 3.21Å; N328-L379 HydrophobicContact CB-CD2 3.85Å
329G89.3Confident89.1Confident0 Ų035.1 Ų35.10%021%0.205CC..Hα-helixtrans-58.4-47.8175.100000112.5M325 V326 L331 V332 D333M325-G329 PolarHBondContact O-N 3.4Å; V326-G329 PolarHBondContact O-N 2.95Å; G329-L331 PolarHBondContact O-N 3.29Å; G329-V332 PolarHBondContact O-N 2.77Å; G329-D333 PolarHBondContact O-N 3.42Å
330F90.1Very high88.6Confident13 Ų1335.1 Ų35.16%0.05721%0.205CC..Hα-helixtrans-58.3-48.4178.7174.8-94.9000112.5H52 Q300 M303 A308 V326 I327 D333 Q334H52-F330 WeakPolarHBondContact ND1-CA 3.48Å; H52-F330 PolarHBondContact ND1-N 3.49Å; H52-F330 VanDerWaalsContact ND1-N 3.11Å; Q300-F330 HydrophobicContact CG-CD2 3.94Å; Q300-F330 HydrophobicContact CG-CE2 4.13Å; Q300-F330 WeakPolarHBondContact O-CE2 3.37Å; M303-F330 HydrophobicContact CB-CE2 4.31Å; M303-F330 HydrophobicContact CB-CZ 3.93Å; M303-F330 HydrophobicContact CE-CB 4.25Å; M303-F330 HydrophobicContact CE-CD1 3.33Å; M303-F330 HydrophobicContact CE-CD2 3.58Å; M303-F330 HydrophobicContact CE-CE1 3.33Å; M303-F330 HydrophobicContact CE-CE2 3.59Å; M303-F330 HydrophobicContact CE-CG 3.43Å; M303-F330 VanDerWaalsContact CE-CG 3.43Å; M303-F330 HydrophobicContact CE-CZ 3.43Å; M303-F330 VanDerWaalsContact CE-CZ 3.43Å; M303-F330 HydrophobicContact CG-CZ 4.36Å; A308-F330 HydrophobicContact CB-CD1 3.9Å; A308-F330 HydrophobicContact CB-CE1 3.87Å; V326-F330 PolarHBondContact O-N 2.88Å; I327-F330 PolarHBondContact O-N 2.63Å; F330-D333 PolarHBondContact O-N 2.82Å; F330-Q334 HydrophobicContact CE1-CG 4.46Å; F330-Q334 PolarHBondContact O-N 3.21Å
331L90.7Very high88Confident0 Ų036 Ų360%021%0.211CC..Hα-helixtrans-68.6-36.1179.7-70173.3000112.1A308 K309 L312 I327 N328 G329 Q334 I335 L376A308-L331 HydrophobicContact CB-CD2 4.05Å; A308-L331 HydrophobicContact CB-CG 4.4Å; K309-L331 HydrophobicContact CG-CD1 4.47Å; K309-L331 HydrophobicContact CG-CD2 4.44Å; L312-L331 HydrophobicContact CD2-CD1 3.63Å; I327-L331 HydrophobicContact CG2-CD1 4.09Å; I327-L331 HydrophobicContact CG2-CG 4.49Å; I327-L331 WeakPolarHBondContact O-CG 3.49Å; I327-L331 PolarHBondContact O-N 3.05Å; N328-L331 PolarHBondContact O-N 2.95Å; G329-L331 PolarHBondContact O-N 3.29Å; L331-Q334 PolarHBondContact O-N 3.21Å; L331-I335 WeakPolarHBondContact O-CB 3.09Å; L331-I335 WeakPolarHBondContact O-CD1 3.39Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.26Å; L331-L376 HydrophobicContact CB-CD2 3.97Å; L331-L376 HydrophobicContact CD1-CD1 4.36Å; L331-L376 HydrophobicContact CD1-CD2 4.35Å
332V89.4Confident87.5Confident0 Ų034.8 Ų34.80%021%0.213CC..Hα-helixtrans-64.1-42.2176.6166.10000111.2N328 G329 Q334 I335 I336 L376 L379 V383N328-V332 VanDerWaalsContact O-CB 3.29Å; N328-V332 WeakPolarHBondContact O-CB 3.46Å; N328-V332 WeakPolarHBondContact O-CG2 3.47Å; N328-V332 PolarHBondContact O-N 3.2Å; G329-V332 PolarHBondContact O-N 2.77Å; V332-Q334 VanDerWaalsContact C-N 3.31Å; V332-Q334 PolarHBondContact O-N 3.23Å; V332-I335 PolarHBondContact O-N 3.45Å; V332-I336 HydrophobicContact CG1-CD1 3.6Å; V332-I336 HydrophobicContact CG1-CG1 4.27Å; V332-I336 WeakPolarHBondContact O-CB 3.42Å; V332-I336 VanDerWaalsContact O-CG1 3.27Å; V332-I336 WeakPolarHBondContact O-CG1 3.46Å; V332-I336 PolarHBondContact O-N 3.02Å; V332-L376 HydrophobicContact CG2-CD2 4.11Å; V332-L379 HydrophobicContact CG2-CB 4.18Å; V332-L379 HydrophobicContact CG2-CD2 3.68Å; V332-L379 HydrophobicContact CG2-CG 3.77Å; V332-V383 HydrophobicContact CG1-CB 4.21Å; V332-V383 HydrophobicContact CG1-CG1 4.46Å; V332-V383 HydrophobicContact CG1-CG2 4.13Å
333D85.6Confident87Confident72 Ų7240.7 Ų40.739%0.38524%0.238SC..Hα-helixtrans-60.5-42.2175.5-73.9-7.9000111H52 G329 F330 I336 G337H52-D333 IonicContact CE1-OD2 3.85Å; H52-D333 PolarHBondContact CE1-OD2 2.54Å; H52-D333 VanDerWaalsContact CE1-OD2 3.27Å; H52-D333 IonicContact ND1-OD2 3.69Å; H52-D333 PolarHBondContact ND1-OD2 2.98Å; G329-D333 PolarHBondContact O-N 3.42Å; F330-D333 PolarHBondContact O-N 2.82Å; D333-I336 PolarHBondContact O-N 3.24Å; D333-G337 PolarHBondContact O-N 2.98Å
334Q85.4Confident86.6Confident67 Ų6742.5 Ų42.531%0.31325%0.246SC..Hα-helixtrans-63.5-45.5173.4-68.7-169.3-4.200112.8F330 L331 V332 I336 G337 N338F330-Q334 HydrophobicContact CE1-CG 4.46Å; F330-Q334 PolarHBondContact O-N 3.21Å; L331-Q334 PolarHBondContact O-N 3.21Å; V332-Q334 VanDerWaalsContact C-N 3.31Å; V332-Q334 PolarHBondContact O-N 3.23Å; Q334-I336 VanDerWaalsContact C-N 3.3Å; Q334-I336 PolarHBondContact O-N 3.39Å; Q334-G337 PolarHBondContact O-N 3.11Å; Q334-N338 PolarHBondContact O-N 2.99Å; Q334-N338 VanDerWaalsContact O-N 3.09Å
335I87.3Confident86.2Confident1 Ų141.8 Ų41.81%0.00524%0.244CC..Hα-helixtrans-62.2-39.1179.2-69.8159.6000110.7L331 V332 P341 E344 L345 I348 T380L331-I335 WeakPolarHBondContact O-CB 3.09Å; L331-I335 WeakPolarHBondContact O-CD1 3.39Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.26Å; V332-I335 PolarHBondContact O-N 3.45Å; I335-P341 HydrophobicContact CG2-CB 3.79Å; I335-P341 WeakPolarHBondContact O-CB 3.48Å; I335-P341 WeakPolarHBondContact O-CG 3.27Å; I335-E344 HydrophobicContact CG1-CG 4.07Å; I335-L345 HydrophobicContact CD1-CD2 3.85Å; I335-L345 HydrophobicContact CD1-CG 4.42Å; I335-L345 HydrophobicContact CG2-CG 4.17Å; I335-I348 HydrophobicContact CD1-CD1 3.6Å; I335-I348 HydrophobicContact CG1-CD1 3.54Å; I335-T380 HydrophobicContact CG2-CG2 3.69Å
336I85.6Confident85.9Confident57 Ų5744.5 Ų44.529%0.29226%0.262SS..Hα-helixtrans-74-38.3178-67.7172.4000111.2V332 D333 Q334 N338 T380 V383 R384V332-I336 HydrophobicContact CG1-CD1 3.6Å; V332-I336 HydrophobicContact CG1-CG1 4.27Å; V332-I336 WeakPolarHBondContact O-CB 3.42Å; V332-I336 VanDerWaalsContact O-CG1 3.27Å; V332-I336 WeakPolarHBondContact O-CG1 3.46Å; V332-I336 PolarHBondContact O-N 3.02Å; D333-I336 PolarHBondContact O-N 3.24Å; Q334-I336 VanDerWaalsContact C-N 3.3Å; Q334-I336 PolarHBondContact O-N 3.39Å; I336-N338 PolarHBondContact O-N 2.68Å; I336-T380 HydrophobicContact CG1-CG2 4.24Å; I336-V383 HydrophobicContact CD1-CB 3.9Å; I336-V383 HydrophobicContact CD1-CG1 3.61Å; I336-R384 HydrophobicContact CD1-CG 3.98Å; I336-R384 HydrophobicContact CG1-CG 3.98Å
337G82.3Confident85.6Confident70 Ų7047.5 Ų47.572%0.72228%0.278SS*.Hα-helixtrans-64.7-20.3174.500000113.7D333 Q334D333-G337 PolarHBondContact O-N 2.98Å; Q334-G337 PolarHBondContact O-N 3.11Å
338N82.1Confident85.2Confident65 Ų6547.6 Ų47.635%0.34828%0.278SS..SBendtrans-80.7141.6177.8-163-32.8000112.3Q334 I336 N340 E344Q334-N338 PolarHBondContact O-N 2.99Å; Q334-N338 VanDerWaalsContact O-N 3.09Å; I336-N338 PolarHBondContact O-N 2.68Å; N338-N340 VanDerWaalsContact C-N 3.28Å; N338-N340 PolarHBondContact O-N 2.84Å; N338-N340 PolarHBondContact OD1-N 3.05Å; N338-E344 PolarHBondContact ND2-OE2 3.3Å
339S69.2Low85Confident127 Ų12748.4 Ų48.489%0.88828%0.284SS*.SBendtrans-66.9-21.9-177.7-48.30000114.5
340N82.2Confident84.9Confident79 Ų7954 Ų5442%0.42231%0.309SS..  trans-131.881.5176.4-169.4-14.9000112.4N338 P342 K343 E344N338-N340 VanDerWaalsContact C-N 3.28Å; N338-N340 PolarHBondContact O-N 2.84Å; N338-N340 PolarHBondContact OD1-N 3.05Å; N340-P342 WeakPolarHBondContact OD1-CD 3.34Å; N340-K343 HydrophobicContact CB-CB 4.2Å; N340-K343 PolarHBondContact O-N 3.39Å; N340-K343 PolarHBondContact OD1-N 3.38Å; N340-E344 PolarHBondContact O-N 3.05Å; N340-E344 VanDerWaalsContact O-N 3.1Å
341P81.9Confident84.9Confident17 Ų1756.5 Ų56.511%0.1132%0.321CS..Hα-helixtrans-66-35.5-174.7-20.330.6000116.7I335 K343 E344 L345 R384I335-P341 HydrophobicContact CG2-CB 3.79Å; I335-P341 WeakPolarHBondContact O-CB 3.48Å; I335-P341 WeakPolarHBondContact O-CG 3.27Å; P341-K343 VanDerWaalsContact C-N 3.28Å; P341-K343 PolarHBondContact O-N 2.87Å; P341-E344 PolarHBondContact O-N 2.96Å; P341-L345 WeakPolarHBondContact O-CG 3.49Å; P341-L345 PolarHBondContact O-N 2.93Å; P341-R384 VanDerWaalsContact CB-CZ 3.42Å
342P82.1Confident84.8Confident84 Ų8456.5 Ų56.555%0.54532%0.321SS..Hα-helixtrans-57.3-41.3172.1-27.635.1000112.9N340 V346N340-P342 WeakPolarHBondContact OD1-CD 3.34Å; P342-V346 WeakPolarHBondContact O-CG2 3.23Å; P342-V346 PolarHBondContact O-N 2.97Å
343K84.1Confident84.6Confident131 Ų13160.5 Ų60.557%0.5734%0.34SS*.Hα-helixtrans-66.6-41.9176.9-173.8-177.8177.9-173.20111.2N340 P341 L345 V346 N347N340-K343 HydrophobicContact CB-CB 4.2Å; N340-K343 PolarHBondContact O-N 3.39Å; N340-K343 PolarHBondContact OD1-N 3.38Å; P341-K343 VanDerWaalsContact C-N 3.28Å; P341-K343 PolarHBondContact O-N 2.87Å; K343-L345 VanDerWaalsContact C-N 3.35Å; K343-L345 PolarHBondContact O-N 3.44Å; K343-V346 PolarHBondContact O-N 3.5Å; K343-N347 PolarHBondContact O-N 3.23Å
344E85.6Confident84.6Confident39 Ų3962.5 Ų62.518%0.18235%0.347CS..Hα-helixtrans-61.3-43.2178-16958.4-157.500112I335 N338 N340 P341 V346 N347 I348I335-E344 HydrophobicContact CG1-CG 4.07Å; N338-E344 PolarHBondContact ND2-OE2 3.3Å; N340-E344 PolarHBondContact O-N 3.05Å; N340-E344 VanDerWaalsContact O-N 3.1Å; P341-E344 PolarHBondContact O-N 2.96Å; E344-V346 VanDerWaalsContact C-N 3.29Å; E344-V346 PolarHBondContact O-N 2.88Å; E344-N347 WeakPolarHBondContact O-CB 3.15Å; E344-N347 PolarHBondContact O-N 3.42Å; E344-I348 HydrophobicContact CG-CD1 4.02Å; E344-I348 WeakPolarHBondContact O-CG1 3.32Å; E344-I348 PolarHBondContact O-N 2.8Å
345L85.6Confident84.7Confident21 Ų2160 Ų6011%0.1134%0.335CS..Hα-helixtrans-59.7-37.9175.5-79.3162.3000112.8I335 P341 K343 T349 L376 Q377I335-L345 HydrophobicContact CD1-CD2 3.85Å; I335-L345 HydrophobicContact CD1-CG 4.42Å; I335-L345 HydrophobicContact CG2-CG 4.17Å; P341-L345 WeakPolarHBondContact O-CG 3.49Å; P341-L345 PolarHBondContact O-N 2.93Å; K343-L345 VanDerWaalsContact C-N 3.35Å; K343-L345 PolarHBondContact O-N 3.44Å; L345-T349 WeakPolarHBondContact O-CB 3.29Å; L345-T349 PolarHBondContact O-N 3.36Å; L345-T349 PolarHBondContact O-OG1 2.88Å; L345-L376 HydrophobicContact CD2-CB 4.25Å; L345-Q377 HydrophobicContact CD1-CG 4.17Å; L345-Q377 HydrophobicContact CD2-CG 3.98Å
346V86.3Confident84.5Confident78 Ų7860.1 Ų60.147%0.47334%0.337SS..Hα-helixtrans-66.9-43.9175.7172.90000110.9P342 K343 E344 T349 H350P342-V346 WeakPolarHBondContact O-CG2 3.23Å; P342-V346 PolarHBondContact O-N 2.97Å; K343-V346 PolarHBondContact O-N 3.5Å; E344-V346 VanDerWaalsContact C-N 3.29Å; E344-V346 PolarHBondContact O-N 2.88Å; V346-T349 WeakPolarHBondContact O-CB 3.06Å; V346-T349 PolarHBondContact O-N 3.44Å; V346-H350 PolarHBondContact O-CD2 3.06Å; V346-H350 VanDerWaalsContact O-CD2 3.25Å; V346-H350 PolarHBondContact O-N 3.19Å; V346-H350 VanDerWaalsContact O-N 3.1Å
347N86.5Confident84.2Confident64 Ų6463.2 Ų63.234%0.34235%0.35SS..Hα-helixtrans-60.4-48.7176.1-70.1-10.4000111.4K343 E344 T349 H350 E351K343-N347 PolarHBondContact O-N 3.23Å; E344-N347 WeakPolarHBondContact O-CB 3.15Å; E344-N347 PolarHBondContact O-N 3.42Å; N347-T349 VanDerWaalsContact C-N 3.25Å; N347-T349 PolarHBondContact O-N 2.99Å; N347-H350 PolarHBondContact O-N 3.08Å; N347-E351 WeakPolarHBondContact O-CG 3.32Å; N347-E351 PolarHBondContact O-N 2.6Å
348I86.6Confident83.9Confident3 Ų364.7 Ų64.72%0.01534%0.338CS..Hα-helixtrans-57.7-40.8176.8-68.6171.3000110.8I335 E344 E351 L352 L376I335-I348 HydrophobicContact CD1-CD1 3.6Å; I335-I348 HydrophobicContact CG1-CD1 3.54Å; E344-I348 HydrophobicContact CG-CD1 4.02Å; E344-I348 WeakPolarHBondContact O-CG1 3.32Å; E344-I348 PolarHBondContact O-N 2.8Å; I348-E351 PolarHBondContact O-N 2.7Å; I348-L352 HydrophobicContact CG2-CD1 3.66Å; I348-L352 HydrophobicContact CG2-CG 4.09Å; I348-L352 WeakPolarHBondContact O-CB 3.37Å; I348-L352 VanDerWaalsContact O-CG 3.22Å; I348-L352 WeakPolarHBondContact O-CG 3.19Å; I348-L352 PolarHBondContact O-N 3.47Å; I348-L376 HydrophobicContact CG2-CD1 4.05Å
349T87.3Confident83.4Confident29 Ų2963.4 Ų63.418%0.17833%0.331CS..Hα-helixtrans-59.5-49177.2-590000111.5L345 V346 N347 E351 L352 Q353 V373L345-T349 WeakPolarHBondContact O-CB 3.29Å; L345-T349 PolarHBondContact O-N 3.36Å; L345-T349 PolarHBondContact O-OG1 2.88Å; V346-T349 WeakPolarHBondContact O-CB 3.06Å; V346-T349 PolarHBondContact O-N 3.44Å; N347-T349 VanDerWaalsContact C-N 3.25Å; N347-T349 PolarHBondContact O-N 2.99Å; T349-E351 PolarHBondContact O-N 2.93Å; T349-L352 PolarHBondContact O-N 3.31Å; T349-Q353 WeakPolarHBondContact O-CG 3.39Å; T349-Q353 PolarHBondContact O-N 3.03Å; T349-V373 HydrophobicContact CG2-CG1 4.43Å; T349-V373 HydrophobicContact CG2-CG2 4.04Å; T349-V373 WeakPolarHBondContact OG1-CG1 3.32Å
350H87.3Confident83.2Confident116 Ų11662.5 Ų62.554%0.53731%0.308SS..Hα-helixtrans-64.2-40.7178.8-75-59.5000112.6V346 N347 Q353 Q354V346-H350 PolarHBondContact O-CD2 3.06Å; V346-H350 VanDerWaalsContact O-CD2 3.25Å; V346-H350 PolarHBondContact O-N 3.19Å; V346-H350 VanDerWaalsContact O-N 3.1Å; N347-H350 PolarHBondContact O-N 3.08Å; H350-Q353 WeakPolarHBondContact O-CB 3.1Å; H350-Q353 PolarHBondContact O-N 3.36Å; H350-Q354 PolarHBondContact O-N 3.33Å
351E88.9Confident81.9Confident66 Ų6667 Ų6731%0.30833%0.326SS..Hα-helixtrans-65.9-41.7176.8-75.2-178.7-129.800112.3K309 N347 I348 T349 Q353 Q354 M355K309-E351 HydrophobicContact CD-CB 4.26Å; K309-E351 WeakPolarHBondContact CD-OE2 3.33Å; K309-E351 IonicContact NZ-OE1 3.57Å; K309-E351 PolarHBondContact NZ-OE1 3.15Å; K309-E351 IonicContact NZ-OE2 2.8Å; K309-E351 PolarHBondContact NZ-OE2 2.87Å; N347-E351 WeakPolarHBondContact O-CG 3.32Å; N347-E351 PolarHBondContact O-N 2.6Å; I348-E351 PolarHBondContact O-N 2.7Å; T349-E351 PolarHBondContact O-N 2.93Å; E351-Q353 VanDerWaalsContact C-N 3.33Å; E351-Q353 PolarHBondContact O-N 3.46Å; E351-Q354 PolarHBondContact O-N 3.33Å; E351-M355 HydrophobicContact CB-CE 4.18Å; E351-M355 WeakPolarHBondContact O-CB 3.46Å; E351-M355 VanDerWaalsContact O-CG 3.29Å; E351-M355 WeakPolarHBondContact O-CG 3.48Å; E351-M355 PolarHBondContact O-N 2.95Å
352L88.7Confident80.6Confident0 Ų072.7 Ų72.70%036%0.356CS..Hα-helixtrans-63.1-40.4175.2-74.6170.8000111.3K309 L313 I348 T349 M355 A356 V369 V372 V373 L376K309-L352 HydrophobicContact CB-CD2 3.74Å; K309-L352 HydrophobicContact CG-CD2 4.16Å; L313-L352 HydrophobicContact CD1-CD2 3.99Å; L313-L352 HydrophobicContact CD2-CD2 3.99Å; L313-L352 HydrophobicContact CG-CD2 3.77Å; I348-L352 HydrophobicContact CG2-CD1 3.66Å; I348-L352 HydrophobicContact CG2-CG 4.09Å; I348-L352 WeakPolarHBondContact O-CB 3.37Å; I348-L352 VanDerWaalsContact O-CG 3.22Å; I348-L352 WeakPolarHBondContact O-CG 3.19Å; I348-L352 PolarHBondContact O-N 3.47Å; T349-L352 PolarHBondContact O-N 3.31Å; L352-M355 PolarHBondContact O-N 3.48Å; L352-A356 WeakPolarHBondContact O-CB 3.47Å; L352-A356 PolarHBondContact O-N 3.12Å; L352-V369 HydrophobicContact CB-CG1 3.92Å; L352-V372 HydrophobicContact CD1-CG1 3.78Å; L352-V373 HydrophobicContact CD1-CG2 3.94Å; L352-L376 HydrophobicContact CD1-CD1 4.44Å
353Q86.3Confident79.6Confident84 Ų8477.6 Ų77.639%0.39337%0.371SS..Hα-helixtrans-58-51.3172.8-73.5175-21.900110.4T349 H350 E351 M355 A356 H357 V369T349-Q353 WeakPolarHBondContact O-CG 3.39Å; T349-Q353 PolarHBondContact O-N 3.03Å; H350-Q353 WeakPolarHBondContact O-CB 3.1Å; H350-Q353 PolarHBondContact O-N 3.36Å; E351-Q353 VanDerWaalsContact C-N 3.33Å; E351-Q353 PolarHBondContact O-N 3.46Å; Q353-M355 PolarHBondContact O-N 2.75Å; Q353-A356 PolarHBondContact O-N 3.06Å; Q353-H357 PolarHBondContact O-N 2.9Å; Q353-H357 PolarHBondContact O-ND1 3.47Å; Q353-V369 HydrophobicContact CG-CG1 3.92Å
354Q86.2Confident79.2Confident114 Ų11476.6 Ų76.653%0.53337%0.372SS..Hα-helixtrans-60.1-48.9179.3-175.3-179.5-14.400112.1H350 E351 A356 H357 E358H350-Q354 PolarHBondContact O-N 3.33Å; E351-Q354 PolarHBondContact O-N 3.33Å; Q354-A356 VanDerWaalsContact C-N 3.32Å; Q354-A356 PolarHBondContact O-N 3.44Å; Q354-H357 WeakPolarHBondContact O-CB 3.43Å; Q354-H357 PolarHBondContact O-N 2.91Å; Q354-E358 PolarHBondContact NE2-OE1 3.39Å; Q354-E358 PolarHBondContact O-N 3.03Å
355M86.8Confident78.9Confident14 Ų1476.2 Ų76.27%0.06937%0.371CS..Hα-helixtrans-65.6-33.4-178.9-69.2179.4-158.600112.5S306 K309 K310 L313 E351 L352 Q353 H357 E358 I359S306-M355 WeakPolarHBondContact OG-CE 3.38Å; K309-M355 HydrophobicContact CB-CE 4.42Å; K309-M355 HydrophobicContact CB-SD 3.78Å; K309-M355 HydrophobicContact CD-CE 4.23Å; K310-M355 HydrophobicContact CG-CG 4.43Å; K310-M355 HydrophobicContact CG-SD 3.76Å; L313-M355 HydrophobicContact CD1-CB 4.02Å; E351-M355 HydrophobicContact CB-CE 4.18Å; E351-M355 WeakPolarHBondContact O-CB 3.46Å; E351-M355 VanDerWaalsContact O-CG 3.29Å; E351-M355 WeakPolarHBondContact O-CG 3.48Å; E351-M355 PolarHBondContact O-N 2.95Å; L352-M355 PolarHBondContact O-N 3.48Å; Q353-M355 PolarHBondContact O-N 2.75Å; M355-H357 VanDerWaalsContact C-N 3.26Å; M355-H357 PolarHBondContact O-N 2.89Å; M355-E358 WeakPolarHBondContact O-CB 3.47Å; M355-E358 PolarHBondContact O-N 3.4Å; M355-E358 VanDerWaalsContact O-N 3.08Å; M355-I359 VanDerWaalsContact O-CG1 3.29Å; M355-I359 WeakPolarHBondContact O-CG1 3.29Å; M355-I359 PolarHBondContact O-N 2.88Å
356A82.9Confident78.8Confident5 Ų583.2 Ų83.24%0.04140%0.404CS..Hα-helixtrans-63.8-33.9176.900000112.1L313 L352 Q353 Q354 E358 R360 I365 V369L313-A356 HydrophobicContact CD1-CB 3.98Å; L313-A356 HydrophobicContact CD2-CB 4.43Å; L352-A356 WeakPolarHBondContact O-CB 3.47Å; L352-A356 PolarHBondContact O-N 3.12Å; Q353-A356 PolarHBondContact O-N 3.06Å; Q354-A356 VanDerWaalsContact C-N 3.32Å; Q354-A356 PolarHBondContact O-N 3.44Å; A356-E358 VanDerWaalsContact C-N 3.35Å; A356-R360 PolarHBondContact O-N 3.37Å; A356-I365 HydrophobicContact CB-CG2 3.56Å; A356-V369 HydrophobicContact CB-CG2 3.76Å
357H79.8Confident78.8Confident121 Ų12184.7 Ų84.756%0.5641%0.409SS*.Hα-helixtrans-70.7-31172.5-67.278.8000112.2Q353 Q354 M355 R360Q353-H357 PolarHBondContact O-N 2.9Å; Q353-H357 PolarHBondContact O-ND1 3.47Å; Q354-H357 WeakPolarHBondContact O-CB 3.43Å; Q354-H357 PolarHBondContact O-N 2.91Å; M355-H357 VanDerWaalsContact C-N 3.26Å; M355-H357 PolarHBondContact O-N 2.89Å; H357-R360 CarbonylContact O-C 3.55Å; H357-R360 VanDerWaalsContact O-O 3.1Å
358E75.9Confident78.8Confident102 Ų10283.4 Ų83.448%0.47740%0.402SS..Hα-helixtrans-74.8-33.5175.2-65.8174.5-170.500112.3K310 Q354 M355 A356 R360K310-E358 IonicContact NZ-OE2 2.7Å; Q354-E358 PolarHBondContact NE2-OE1 3.39Å; Q354-E358 PolarHBondContact O-N 3.03Å; M355-E358 WeakPolarHBondContact O-CB 3.47Å; M355-E358 PolarHBondContact O-N 3.4Å; M355-E358 VanDerWaalsContact O-N 3.08Å; A356-E358 VanDerWaalsContact C-N 3.35Å; E358-R360 VanDerWaalsContact C-N 3.34Å
359I72.3Confident78.8Confident38 Ų3883.5 Ų83.520%0.19540%0.402CS..Hα-helixtrans-76.3-22.3178.1-66.1167000110.9K310 L313 V314 M355K310-I359 HydrophobicContact CB-CD1 4.16Å; K310-I359 HydrophobicContact CG-CD1 4.15Å; L313-I359 HydrophobicContact CB-CD1 4.11Å; L313-I359 HydrophobicContact CD1-CD1 3.82Å; V314-I359 HydrophobicContact CG2-CG2 4.5Å; M355-I359 VanDerWaalsContact O-CG1 3.29Å; M355-I359 WeakPolarHBondContact O-CG1 3.29Å; M355-I359 PolarHBondContact O-N 2.88Å
360R64.7Low78.8Confident108 Ų10883.6 Ų83.641%0.40841%0.409SS..  trans-168155.7171.7-114.7174.9-163.2-119.50.5117.2E274 A356 H357 E358E274-R360 IonicContact OE1-CZ 3.9Å; E274-R360 IonicContact OE1-NH2 3.62Å; E274-R360 PolarHBondContact OE1-NH2 2.98Å; E274-R360 IonicContact OE2-CZ 2.61Å; E274-R360 IonicContact OE2-NE 2.59Å; E274-R360 IonicContact OE2-NH2 3.61Å; E274-R360 PolarHBondContact OE2-NH2 3.28Å; A356-R360 PolarHBondContact O-N 3.37Å; H357-R360 CarbonylContact O-C 3.55Å; H357-R360 VanDerWaalsContact O-O 3.1Å; E358-R360 VanDerWaalsContact C-N 3.34Å
361E55.3Low78.8Confident173 Ų17379.7 Ų79.781%0.80840%0.397SS*.SBendtrans-93.6122.1161.9-63.5-179.1163.400110.6
362N54.4Low78.9Confident136 Ų13676.5 Ų76.573%0.72738%0.382SS*.SBendtrans86.9121.6161-59.1-30.2000121
363E60.5Low79Confident187 Ų18777.1 Ų77.187%0.87439%0.386SS*.SBendtrans76.1119.2166.9-56.7-172.4-178.800117.8
364N75.1Confident79.2Confident110 Ų11076.3 Ų76.359%0.58839%0.387SS*.  trans81.916.1170.1-125.513.2000119.1E366 N367 L368N364-E366 VanDerWaalsContact C-N 3.31Å; N364-E366 PolarHBondContact O-N 3.24Å; N364-N367 PolarHBondContact O-N 3.44Å; N364-N367 WeakPolarHBondContact OD1-CB 3.23Å; N364-N367 VanDerWaalsContact OD1-CG 3.31Å; N364-N367 PolarHBondContact OD1-ND2 3.34Å; N364-L368 PolarHBondContact O-N 2.79Å
365I80.3Confident79.3Confident31 Ų3173.4 Ų73.416%0.15938%0.375CS..Hα-helixtrans-55.3-43.9175.8-67.9172.2000112.1A356 N367 L368 V369A356-I365 HydrophobicContact CB-CG2 3.56Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 2.94Å; I365-L368 PolarHBondContact O-N 3.2Å; I365-V369 HydrophobicContact CG2-CG2 4.11Å; I365-V369 WeakPolarHBondContact O-CB 3.5Å; I365-V369 WeakPolarHBondContact O-CG2 3.43Å; I365-V369 PolarHBondContact O-N 2.92Å
366E82.7Confident79.5Confident169 Ų16972.8 Ų72.879%0.7937%0.372SS*.Hα-helixtrans-62.4-40.7-178.6-66.9-173.916800112.2N364 G370N364-E366 VanDerWaalsContact C-N 3.31Å; N364-E366 PolarHBondContact O-N 3.24Å; E366-G370 WeakPolarHBondContact O-CA 3.38Å; E366-G370 PolarHBondContact O-N 2.75Å
367N85.9Confident79.8Confident108 Ų10875.4 Ų75.458%0.57838%0.383SS*.Hα-helixtrans-70.4-41.1177.5-74.9-19.7000111.4N364 I365 G370 A371N364-N367 PolarHBondContact O-N 3.44Å; N364-N367 WeakPolarHBondContact OD1-CB 3.23Å; N364-N367 VanDerWaalsContact OD1-CG 3.31Å; N364-N367 PolarHBondContact OD1-ND2 3.34Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 2.94Å; N367-G370 PolarHBondContact O-N 3.36Å; N367-A371 WeakPolarHBondContact O-CB 3.21Å; N367-A371 PolarHBondContact O-N 3.46Å
368L86.5Confident80.2Confident38 Ų3873.4 Ų73.420%0.19937%0.374CS..Hα-helixtrans-59.7-53.8176177.566.8000111.5L313 E316 K317 N364 I365 G370 A371 V372L313-L368 HydrophobicContact CD2-CD2 4.28Å; L313-L368 HydrophobicContact CD2-CG 4.26Å; E316-L368 HydrophobicContact CB-CD1 3.72Å; E316-L368 HydrophobicContact CG-CD1 3.35Å; K317-L368 HydrophobicContact CB-CD1 4.25Å; N364-L368 PolarHBondContact O-N 2.79Å; I365-L368 PolarHBondContact O-N 3.2Å; L368-G370 VanDerWaalsContact C-N 3.33Å; L368-G370 PolarHBondContact O-N 2.87Å; L368-A371 PolarHBondContact O-N 3.42Å; L368-V372 WeakPolarHBondContact O-CG2 3.31Å; L368-V372 PolarHBondContact O-N 3.46Å
369V87.4Confident80.7Confident4 Ų469.1 Ų69.12%0.02435%0.354CS..Hα-helixtrans-66.2-39.6179.6177.10000110.4L313 L352 Q353 A356 I365 A371 V372 V373L313-V369 HydrophobicContact CD2-CG2 4.02Å; L352-V369 HydrophobicContact CB-CG1 3.92Å; Q353-V369 HydrophobicContact CG-CG1 3.92Å; A356-V369 HydrophobicContact CB-CG2 3.76Å; I365-V369 HydrophobicContact CG2-CG2 4.11Å; I365-V369 WeakPolarHBondContact O-CB 3.5Å; I365-V369 WeakPolarHBondContact O-CG2 3.43Å; I365-V369 PolarHBondContact O-N 2.92Å; V369-A371 PolarHBondContact O-N 3.38Å; V369-V372 PolarHBondContact O-N 2.94Å; V369-V373 HydrophobicContact CG1-CG2 3.92Å; V369-V373 WeakPolarHBondContact O-CB 3.4Å; V369-V373 VanDerWaalsContact O-CG2 3.23Å; V369-V373 WeakPolarHBondContact O-CG2 3.49Å; V369-V373 PolarHBondContact O-N 2.88Å
370G87.1Confident81.4Confident32 Ų3267.4 Ų67.433%0.3335%0.345SS..Hα-helixtrans-59.1-43.8177.100000112.9E366 N367 L368 T374E366-G370 WeakPolarHBondContact O-CA 3.38Å; E366-G370 PolarHBondContact O-N 2.75Å; N367-G370 PolarHBondContact O-N 3.36Å; L368-G370 VanDerWaalsContact C-N 3.33Å; L368-G370 PolarHBondContact O-N 2.87Å; G370-T374 VanDerWaalsContact O-CB 3.3Å; G370-T374 WeakPolarHBondContact O-CB 3.42Å; G370-T374 PolarHBondContact O-N 3.33Å; G370-T374 PolarHBondContact O-OG1 2.88Å
371A88.1Confident82.5Confident33 Ų3367.9 Ų67.927%0.27335%0.347SS..Hα-helixtrans-61.2-52.5175.500000111.2N367 L368 V369 V373 T374 D375N367-A371 WeakPolarHBondContact O-CB 3.21Å; N367-A371 PolarHBondContact O-N 3.46Å; L368-A371 PolarHBondContact O-N 3.42Å; V369-A371 PolarHBondContact O-N 3.38Å; A371-V373 PolarHBondContact O-N 3.4Å; A371-T374 PolarHBondContact O-N 3.18Å; A371-D375 PolarHBondContact O-N 3.44Å
372V90.6Very high84.1Confident0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-57.8-46.7179.1168.40000112.4L312 E316 L352 L368 V369 T374 D375 L376L312-V372 HydrophobicContact CD1-CG1 4.38Å; L312-V372 HydrophobicContact CD2-CG1 3.24Å; L312-V372 HydrophobicContact CG-CG1 3.5Å; L312-V372 HydrophobicContact CG-CG2 4.23Å; E316-V372 HydrophobicContact CB-CG2 3.83Å; E316-V372 HydrophobicContact CG-CG2 3.96Å; L352-V372 HydrophobicContact CD1-CG1 3.78Å; L368-V372 WeakPolarHBondContact O-CG2 3.31Å; L368-V372 PolarHBondContact O-N 3.46Å; V369-V372 PolarHBondContact O-N 2.94Å; V372-T374 VanDerWaalsContact C-N 3.34Å; V372-D375 PolarHBondContact O-N 2.96Å; V372-L376 HydrophobicContact CG1-CD1 4.2Å; V372-L376 WeakPolarHBondContact O-CG 3.36Å; V372-L376 PolarHBondContact O-N 3.45Å
373V89.9Confident85.5Confident13 Ų1355.8 Ų55.88%0.07929%0.286CS..Hα-helixtrans-66.7-39-179.2169.40000110.8T349 L352 V369 A371 L376 Q377T349-V373 HydrophobicContact CG2-CG1 4.43Å; T349-V373 HydrophobicContact CG2-CG2 4.04Å; T349-V373 WeakPolarHBondContact OG1-CG1 3.32Å; L352-V373 HydrophobicContact CD1-CG2 3.94Å; V369-V373 HydrophobicContact CG1-CG2 3.92Å; V369-V373 WeakPolarHBondContact O-CB 3.4Å; V369-V373 VanDerWaalsContact O-CG2 3.23Å; V369-V373 WeakPolarHBondContact O-CG2 3.49Å; V369-V373 PolarHBondContact O-N 2.88Å; A371-V373 PolarHBondContact O-N 3.4Å; V373-L376 PolarHBondContact O-N 2.89Å; V373-Q377 HydrophobicContact CG1-CG 4.29Å; V373-Q377 WeakPolarHBondContact O-CB 3.33Å; V373-Q377 WeakPolarHBondContact O-CG 3.49Å; V373-Q377 PolarHBondContact O-N 3.11Å
374T90.8Very high86.5Confident67 Ų6752 Ų5241%0.41126%0.264SS..Hα-helixtrans-60.6-47.5176.1-60.90000110.4G370 A371 V372 L376 Q377 E378G370-T374 VanDerWaalsContact O-CB 3.3Å; G370-T374 WeakPolarHBondContact O-CB 3.42Å; G370-T374 PolarHBondContact O-N 3.33Å; G370-T374 PolarHBondContact O-OG1 2.88Å; A371-T374 PolarHBondContact O-N 3.18Å; V372-T374 VanDerWaalsContact C-N 3.34Å; T374-L376 PolarHBondContact O-N 2.88Å; T374-Q377 PolarHBondContact O-N 2.97Å; T374-E378 HydrophobicContact CG2-CG 4.45Å; T374-E378 WeakPolarHBondContact O-CB 3.33Å; T374-E378 WeakPolarHBondContact O-CG 3.31Å; T374-E378 PolarHBondContact O-N 3.01Å
375D88.9Confident86.9Confident52 Ų5250.2 Ų50.228%0.27825%0.249SC..Hα-helixtrans-60-49.4178.1-70.5-9.2000111.8K324 A371 V372 Q377 E378 L379K324-D375 WeakPolarHBondContact CE-OD2 3.11Å; K324-D375 IonicContact NZ-OD2 2.99Å; K324-D375 PolarHBondContact NZ-OD2 2.89Å; A371-D375 PolarHBondContact O-N 3.44Å; V372-D375 PolarHBondContact O-N 2.96Å; D375-Q377 VanDerWaalsContact C-N 3.33Å; D375-Q377 PolarHBondContact O-N 2.96Å; D375-E378 PolarHBondContact O-N 3.16Å; D375-L379 WeakPolarHBondContact O-CB 3.28Å; D375-L379 PolarHBondContact O-N 3.14Å
376L90.6Very high86.8Confident1 Ų150.1 Ų50.11%0.00525%0.249CC..Hα-helixtrans-58.6-43.8177.7-77.4175000112.1L312 N328 L331 V332 L345 I348 L352 V372 V373 T374 T380L312-L376 HydrophobicContact CD2-CD1 3.87Å; L312-L376 HydrophobicContact CD2-CD2 4.41Å; L312-L376 HydrophobicContact CD2-CG 4.24Å; N328-L376 VanDerWaalsContact OD1-CD2 3.32Å; N328-L376 WeakPolarHBondContact OD1-CD2 3.21Å; L331-L376 HydrophobicContact CB-CD2 3.97Å; L331-L376 HydrophobicContact CD1-CD1 4.36Å; L331-L376 HydrophobicContact CD1-CD2 4.35Å; V332-L376 HydrophobicContact CG2-CD2 4.11Å; L345-L376 HydrophobicContact CD2-CB 4.25Å; I348-L376 HydrophobicContact CG2-CD1 4.05Å; L352-L376 HydrophobicContact CD1-CD1 4.44Å; V372-L376 HydrophobicContact CG1-CD1 4.2Å; V372-L376 WeakPolarHBondContact O-CG 3.36Å; V372-L376 PolarHBondContact O-N 3.45Å; V373-L376 PolarHBondContact O-N 2.89Å; T374-L376 PolarHBondContact O-N 2.88Å; L376-T380 WeakPolarHBondContact O-CB 3.37Å; L376-T380 PolarHBondContact O-N 3.33Å; L376-T380 PolarHBondContact O-OG1 2.8Å
377Q88.8Confident86.5Confident61 Ų6144.6 Ų44.629%0.28523%0.23SC..Hα-helixtrans-65-47.2178.8-75.7-177.814.900111.9L345 V373 T374 D375 R381L345-Q377 HydrophobicContact CD1-CG 4.17Å; L345-Q377 HydrophobicContact CD2-CG 3.98Å; V373-Q377 HydrophobicContact CG1-CG 4.29Å; V373-Q377 WeakPolarHBondContact O-CB 3.33Å; V373-Q377 WeakPolarHBondContact O-CG 3.49Å; V373-Q377 PolarHBondContact O-N 3.11Å; T374-Q377 PolarHBondContact O-N 2.97Å; D375-Q377 VanDerWaalsContact C-N 3.33Å; D375-Q377 PolarHBondContact O-N 2.96Å; Q377-R381 VanDerWaalsContact O-CG 3.29Å; Q377-R381 WeakPolarHBondContact O-CG 3.28Å; Q377-R381 PolarHBondContact O-N 3.4Å; Q377-R381 PolarHBondContact O-NH1 3.06Å
378E88.9Confident86Confident78 Ų7843.3 Ų43.336%0.36422%0.222SC..Hα-helixtrans-63.1-47.4179.3-73.4-163.4172.400111.3T374 D375 R381 R382T374-E378 HydrophobicContact CG2-CG 4.45Å; T374-E378 WeakPolarHBondContact O-CB 3.33Å; T374-E378 WeakPolarHBondContact O-CG 3.31Å; T374-E378 PolarHBondContact O-N 3.01Å; D375-E378 PolarHBondContact O-N 3.16Å; E378-R381 WeakPolarHBondContact O-CB 3.26Å; E378-R381 PolarHBondContact O-N 2.93Å; E378-R382 VanDerWaalsContact O-CG 3.26Å; E378-R382 WeakPolarHBondContact O-CG 3.45Å; E378-R382 PolarHBondContact O-N 3.15Å; E378-R382 IonicContact OE2-CZ 2.73Å; E378-R382 IonicContact OE2-NH2 3.25Å; E378-R382 PolarHBondContact OE2-NH2 3.06Å
379L86.8Confident84.3Confident13 Ų1343 Ų437%0.06822%0.223CC..Hα-helixtrans-64.6-45.5-178.4-17956.7000112.3Q54 N328 V332 D375 R381 R382 V383Q54-L379 HydrophobicContact CB-CD1 4.47Å; Q54-L379 VanDerWaalsContact CD-CD1 3.41Å; Q54-L379 HydrophobicContact CG-CD1 4.2Å; N328-L379 HydrophobicContact CB-CD2 3.85Å; V332-L379 HydrophobicContact CG2-CB 4.18Å; V332-L379 HydrophobicContact CG2-CD2 3.68Å; V332-L379 HydrophobicContact CG2-CG 3.77Å; D375-L379 WeakPolarHBondContact O-CB 3.28Å; D375-L379 PolarHBondContact O-N 3.14Å; L379-R381 PolarHBondContact O-N 2.65Å; L379-R382 PolarHBondContact O-N 3.41Å; L379-V383 HydrophobicContact CD1-CG2 3.81Å; L379-V383 HydrophobicContact CG-CG2 4.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.38Å; L379-V383 PolarHBondContact O-N 3.15Å
380T86.6Confident82Confident1 Ų150.9 Ų50.91%0.00626%0.26CS..Hα-helixtrans-53.3-43.1172.7-63.90000111.3I335 I336 L376 R384I335-T380 HydrophobicContact CG2-CG2 3.69Å; I336-T380 HydrophobicContact CG1-CG2 4.24Å; L376-T380 WeakPolarHBondContact O-CB 3.37Å; L376-T380 PolarHBondContact O-N 3.33Å; L376-T380 PolarHBondContact O-OG1 2.8Å; T380-R384 WeakPolarHBondContact O-CG 3.32Å; T380-R384 PolarHBondContact O-N 3.33Å
381R86.8Confident79.2Confident119 Ų11953.9 Ų53.945%0.44928%0.275SS..Hα-helixtrans-67.9-36.2177.2-70.3-178.7-152.8107.7-1.8112.3Q377 E378 L379 R385Q377-R381 VanDerWaalsContact O-CG 3.29Å; Q377-R381 WeakPolarHBondContact O-CG 3.28Å; Q377-R381 PolarHBondContact O-N 3.4Å; Q377-R381 PolarHBondContact O-NH1 3.06Å; E378-R381 WeakPolarHBondContact O-CB 3.26Å; E378-R381 PolarHBondContact O-N 2.93Å; L379-R381 PolarHBondContact O-N 2.65Å; R381-R385 PolarHBondContact O-NH1 3.43Å; R381-R385 PolarHBondContact O-NH2 3.13Å
382R88.8Confident76.6Confident38 Ų3857.8 Ų57.814%0.14330%0.298CS..Hα-helixtrans-73.6-44.6-177.9-67.4169.3-164-175.36.5111.9P45 S47 T56 E87 E378 L379 R385P45-R382 HydrophobicContact CB-CG 4.41Å; S47-R382 PolarHBondContact N-O 3.44Å; S47-R382 WeakPolarHBondContact OG-CB 3.5Å; S47-R382 WeakPolarHBondContact OG-CD 3.16Å; T56-R382 PolarHBondContact OG1-NH1 3.03Å; E87-R382 IonicContact OE2-NH1 3.91Å; E87-R382 PolarHBondContact OE2-NH1 3.47Å; E378-R382 VanDerWaalsContact O-CG 3.26Å; E378-R382 WeakPolarHBondContact O-CG 3.45Å; E378-R382 PolarHBondContact O-N 3.15Å; E378-R382 IonicContact OE2-CZ 2.73Å; E378-R382 IonicContact OE2-NH2 3.25Å; E378-R382 PolarHBondContact OE2-NH2 3.06Å; L379-R382 PolarHBondContact O-N 3.41Å; R382-R385 WeakPolarHBondContact O-CB 3.29Å; R382-R385 PolarHBondContact O-N 3.16Å
383V84.8Confident73.5Confident17 Ų1763.2 Ų63.210%0.10334%0.336CS..Hα-helixtrans-66-40.1-178.71740000111.6V332 I336 L379 R385 V386V332-V383 HydrophobicContact CG1-CB 4.21Å; V332-V383 HydrophobicContact CG1-CG1 4.46Å; V332-V383 HydrophobicContact CG1-CG2 4.13Å; I336-V383 HydrophobicContact CD1-CB 3.9Å; I336-V383 HydrophobicContact CD1-CG1 3.61Å; L379-V383 HydrophobicContact CD1-CG2 3.81Å; L379-V383 HydrophobicContact CG-CG2 4.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.38Å; L379-V383 PolarHBondContact O-N 3.15Å; V383-R385 PolarHBondContact O-N 2.99Å; V383-V386 PolarHBondContact O-N 3.2Å
384R81.9Confident70.6Confident108 Ų10872 Ų7241%0.40838%0.376SS..THydrogen-bonded Turntrans-57.2-15.8176.1-80.5-169.7-179.3124.739115.7I336 P341 T380 V386I336-R384 HydrophobicContact CD1-CG 3.98Å; I336-R384 HydrophobicContact CG1-CG 3.98Å; P341-R384 VanDerWaalsContact CB-CZ 3.42Å; T380-R384 WeakPolarHBondContact O-CG 3.32Å; T380-R384 PolarHBondContact O-N 3.33Å; R384-V386 VanDerWaalsContact C-N 3.31Å
385R81.8Confident67.5Low72 Ų7274.6 Ų74.627%0.27240%0.397SS..THydrogen-bonded Turntrans-87.7-4.4-179.8-61.9179.4-174.9109.415.3112.8H22 P45 F46 R381 R382 V383H22-R385 PolarHBondContact ND1-O 2.82Å; P45-R385 PolarHBondContact O-NH1 3.13Å; F46-R385 HydrophobicContact CB-CB 4.08Å; R381-R385 PolarHBondContact O-NH1 3.43Å; R381-R385 PolarHBondContact O-NH2 3.13Å; R382-R385 WeakPolarHBondContact O-CB 3.29Å; R382-R385 PolarHBondContact O-N 3.16Å; V383-R385 PolarHBondContact O-N 2.99Å
386V79.8Confident64.6Low28 Ų2876.6 Ų76.617%0.1742%0.415CS..  trans-122.5134.4-175-176.70000108.8F20 Q21 H22 F46 S47 T48 V383 R384F20-V386 HydrophobicContact CB-CG1 3.79Å; F20-V386 HydrophobicContact CD1-CG1 3.99Å; F20-V386 HydrophobicContact CG-CG1 4.37Å; Q21-V386 WeakPolarHBondContact O-CA 3.34Å; H22-V386 HydrophobicContact CB-CG2 4.4Å; F46-V386 HydrophobicContact CB-CG2 3.96Å; F46-V386 HydrophobicContact CD2-CG2 3.62Å; F46-V386 HydrophobicContact CG-CG2 4.25Å; S47-V386 WeakPolarHBondContact O-CB 3.31Å; S47-V386 WeakPolarHBondContact O-CG2 3.5Å; T48-V386 HydrophobicContact CG2-CG1 4.45Å; V383-V386 PolarHBondContact O-N 3.2Å; R384-V386 VanDerWaalsContact C-N 3.31Å
387S76.8Confident61.5Low54 Ų5485 Ų8538%0.37845%0.454SS..EExtended strand (participates in β ladder)trans-110139.3170.450.90000109.7Q21 S389Q21-S387 PolarHBondContact N-O 2.96Å; Q21-S387 PolarHBondContact O-N 3.31Å; Q21-S387 PolarHBondContact O-OG 3.06Å; S387-S389 PolarHBondContact O-N 2.93Å
388L74.6Confident58.4Low80 Ų8087 Ų8742%0.41947%0.474SS..EExtended strand (participates in β ladder)trans-70.6123166-73.1166.2000108.3I18 F20 Y50I18-L388 HydrophobicContact CG2-CD2 3.66Å; F20-L388 HydrophobicContact CD1-CD2 3.62Å; F20-L388 HydrophobicContact CE1-CD2 3.3Å; F20-L388 HydrophobicContact CE1-CG 4.38Å; F20-L388 HydrophobicContact CZ-CD2 3.99Å; Y50-L388 HydrophobicContact CD2-CD1 4.44Å
389S50.3Low55.3Low32 Ų3288.1 Ų88.122%0.22449%0.491CS..EExtended strand (participates in β ladder)trans-89.5112.7171.444.20000108.9S19 S387 S391S19-S389 WeakPolarHBondContact CB-OG 3.12Å; S19-S389 PolarHBondContact O-N 3.45Å; S19-S389 PolarHBondContact O-OG 3.29Å; S19-S389 PolarHBondContact OG-OG 3.24Å; S19-S389 VanDerWaalsContact OG-OG 3.08Å; S387-S389 PolarHBondContact O-N 2.93Å; S389-S391 PolarHBondContact O-N 3.11Å
390H38.6Very low52.4Low170 Ų17093 Ų9379%0.78753%0.526SS*.  trans-73.8108.8163.3-66.6-64.1000107.4P392H390-P392 WeakPolarHBondContact O-CD 3.28Å; H390-P392 VanDerWaalsContact O-N 3.14Å
391S28.9Very low50Low94 Ų9498.2 Ų98.266%0.65756%0.56SS**PPolyproline II helixtrans-56.2116.7167.1-65.80000108.2S389 S393S389-S391 PolarHBondContact O-N 3.11Å; S391-S393 PolarHBondContact O-N 3.47Å
392P33.3Very low47Very low116 Ų116100.7 Ų100.775%0.75358%0.581SS**PPolyproline II helixtrans-69.5118.8167.2-4.120.4000106.4H390 Q394H390-P392 WeakPolarHBondContact O-CD 3.28Å; H390-P392 VanDerWaalsContact O-N 3.14Å; P392-Q394 PolarHBondContact O-N 2.82Å; P392-Q394 VanDerWaalsContact O-N 3.08Å
393S26.7Very low43.9Very low113 Ų113102.5 Ų102.579%0.7960%0.604SS**PPolyproline II helixtrans-52.3117.1160.730.30000107.8S391 S395S391-S393 PolarHBondContact O-N 3.47Å; S393-S395 PolarHBondContact O-N 3.46Å; S393-S395 VanDerWaalsContact O-N 3.09Å
394Q28.6Very low41.1Very low199 Ų199108 Ų10893%0.9364%0.638SS**  trans-60.2113.6177.3-69.5-178.5-500109.4P392P392-Q394 PolarHBondContact O-N 2.82Å; P392-Q394 VanDerWaalsContact O-N 3.08Å
395S25.3Very low38.9Very low120 Ų120108.3 Ų108.384%0.83965%0.654SS**  trans-140.6129.6145.268.30000109.7S393S393-S395 PolarHBondContact O-N 3.46Å; S393-S395 VanDerWaalsContact O-N 3.09Å
396S26.9Very low36.3Very low94 Ų94112 Ų11266%0.65769%0.685SS**  trans-75.3139-170.938.30000112.9
397H26.9Very low33.7Very low179 Ų179119 Ų11983%0.82972%0.721SS**  160.1138.4114.4-81.5-62.4000114.3
398S24Very low31.3Very low102 Ų102120.1 Ų120.171%0.71374%0.741SS**  trans8492.8141.4-178.70000122.1
399S23.9Very low28.9Very low101 Ų101122.5 Ų122.571%0.70677%0.765SS**  37.7111.6123.832.90000123.8
400S25.5Very low27.8Very low115 Ų115124.4 Ų124.480%0.80479%0.79SS**  83.7166.2125-400000120
401P36Very low27.1Very low111 Ų111121.9 Ų121.972%0.72179%0.791SS**  -130.1170.2-101.731.3-8.5000114.8
402L23.3Very low27.7Very low171 Ų171123.1 Ų123.190%0.89580%0.797SS**  trans176.8131.1140.6-121.176.2000116.3
403A25Very low27.3Very low77 Ų77123.4 Ų123.464%0.63680%0.802SS**  trans40.6112.7134.600000124.7
404T24.6Very low27.5Very low133 Ų133124.5 Ų124.582%0.81680%0.803SS**  25171.5122.260.40000123
405P35.7Very low27.6Very low113 Ų113121 Ų12173%0.73480%0.798SS**  -125.3170-83.334.1-12.9000112.8
406T27.8Very low27.8Very low150 Ų150119.6 Ų119.692%0.9279%0.793SS**  trans-146.9130.2165.7250000114.6
407N25.2Very low28Very low174 Ų174120.6 Ų120.693%0.9380%0.797SS**  trans-68.9158.1170.6-79.8-31.7000113.1
408G25.2Very low27.9Very low78 Ų78121 Ų12180%0.80480%0.797SS**  trans177.384.3163.700000116.9
409S25.9Very low27.9Very low130 Ų130124 Ų12491%0.90981%0.805SS**  trans-27.4146.9163.4178.70000119.7
410G25.6Very low27.9Very low73 Ų73124 Ų12475%0.75381%0.805SS**  trans169.797.2153.600000116.9
411S25.2Very low28Very low117 Ų117124.6 Ų124.682%0.81881%0.807SS**  trans-113.8178152.8-51.80000107.5
412P40.5Very low27.5Very low119 Ų119125.8 Ų125.877%0.77381%0.812SS**  cis-141.2176.94.839.6-19.6000115.5
413S25.5Very low28.1Very low122 Ų122122.7 Ų122.785%0.85381%0.805SS**  trans-174.1140.7140.138.50000113.6
414V30.2Very low28.2Very low137 Ų137129.3 Ų129.383%0.8381%0.813SS**  trans-138.1143.7177.7171.90000103.8
415P32.2Very low28.4Very low126 Ų126131.1 Ų131.182%0.81881%0.81SS**  -150.6170.767.236.2-11.3000120
416A28.6Very low28.1Very low89 Ų89134 Ų13474%0.73681%0.811SS**  trans-68.9177.1-174.800000115
417P30.6Very low28.4Very low115 Ų115137.6 Ų137.675%0.74781%0.808SS**  -151.4160.370.334.2-11.1000118.5
418F25.2Very low28.7Very low188 Ų188133.5 Ų133.583%0.82579%0.789SS**  trans29.1120.6149.7-76.5-93000121.7
419D23.3Very low29Very low164 Ų164133.8 Ų133.888%0.87778%0.779SS**  -157144.8117.4-108.3-26.7000111.9
420S25.4Very low29.3Very low101 Ų101129.8 Ų129.871%0.70675%0.747SS**  trans-76.9138.5-174.4-53.90000111.4T422S420-T422 PolarHBondContact O-N 3.26Å
421P26.8Very low29.6Very low129 Ų129133.1 Ų133.184%0.83877%0.767SS**  trans-86.5111.7172.531.2-27.4000110.7
422T26.5Very low29.8Very low136 Ų136133.9 Ų133.983%0.83476%0.764SS**  trans-60.8129.1155.7430000110.2S420S420-T422 PolarHBondContact O-N 3.26Å
423S34.7Very low29.3Very low106 Ų106134.7 Ų134.774%0.74176%0.764SS**  trans-30127.2164.11760000114.7
424R26.7Very low29.5Very low216 Ų216135.4 Ų135.482%0.81576%0.759SS**  trans-160.188.4155.6-117.1178.3-160.8-177.16.2111.5K426R424-K426 PolarHBondContact O-N 3.15Å
425F29Very low29.4Very low170 Ų170135.3 Ų135.375%0.74676%0.755SS**  trans-56.3124.8155.1-82.3-92.7000109.4
426K29.8Very low29.3Very low174 Ų174135.9 Ų135.976%0.75775%0.751SS**  trans-130.3102163.3-92.9-171.3174.7-174.80109.4R424R424-K426 PolarHBondContact O-N 3.15Å
427R34.9Very low29.3Very low225 Ų225139 Ų13985%0.84975%0.752SS**  34.796.5127.2-120.5-179.9-148.41754.5115.3
428V31.8Very low29.2Very low89 Ų89140.7 Ų140.754%0.53975%0.752SS.*  trans-82.8119.3160.9-178.40000107.6
429S30.5Very low29.5Very low84 Ų84137.1 Ų137.159%0.58775%0.746SS**  trans-86.6130.5169.160.30000109.2A431S429-A431 PolarHBondContact O-N 3.05Å
430L32.3Very low30.1Very low46 Ų46134.8 Ų134.824%0.24174%0.736CS.*  trans-86.488.2168.1-62.9166000107I299 F307I299-L430 HydrophobicContact CD1-CD2 3.84Å; F307-L430 HydrophobicContact CE1-CD2 3.92Å; F307-L430 HydrophobicContact CE2-CD1 4.02Å; F307-L430 HydrophobicContact CE2-CD2 4.44Å; F307-L430 HydrophobicContact CZ-CD1 3.64Å; F307-L430 HydrophobicContact CZ-CD2 3.76Å; F307-L430 HydrophobicContact CZ-CG 4.2Å
431A32.4Very low30.5Very low142 Ų142137.9 Ų137.9100%1.17474%0.738SS**  trans-116.60172.200000108.9S429S429-A431 PolarHBondContact O-N 3.05Å

Retrieved 431 of 431 residues in 277 ms (Link to these results)

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