A0A5K4F1H0_SCHMA Loading...

Dynein_AAA_lid domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1H0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M80.4Confident84.8Confident109 Ų10939.1 Ų39.154%0.53720%0.199SC..  01450-72.6174.7-79.600107.2I6 Y325 C336M1-I6 HydrophobicContact CB-CD1 4.29Å; M1-Y325 HydrophobicContact CE-CD1 4.18Å; M1-Y325 HydrophobicContact CE-CE1 3.61Å; M1-C336 PolarHBondContact N-O 3.16Å; M1-C336 PolarHBondContact O-N 2.8Å
2N86.7Confident84.2Confident55 Ų5537.3 Ų37.329%0.29419%0.189SC..BIsolated β-bridgetrans-80.2134175.3-170.8-32.9000108.7S4 E5 I6N2-S4 PolarHBondContact O-N 3.2Å; N2-S4 WeakPolarHBondContact OD1-CB 3.48Å; N2-S4 PolarHBondContact OD1-N 3.29Å; N2-E5 HydrophobicContact CB-CG 4.33Å; N2-E5 PolarHBondContact O-N 3.5Å; N2-I6 PolarHBondContact O-N 3.29Å
3F89.2Confident83Confident1 Ų138.9 Ų38.90%0.00420%0.203CC..Hα-helixtrans-53.7-35175.4175.6-118.8000112.1E5 I6 L7 F56 E59 L286 L303 I334F3-E5 VanDerWaalsContact C-N 3.27Å; F3-E5 PolarHBondContact O-N 3.5Å; F3-I6 WeakPolarHBondContact O-CB 3.31Å; F3-I6 PolarHBondContact O-N 3.39Å; F3-I6 VanDerWaalsContact O-N 3.14Å; F3-L7 HydrophobicContact CE1-CB 4.31Å; F3-L7 HydrophobicContact CE1-CD2 3.82Å; F3-L7 HydrophobicContact CE2-CB 4.19Å; F3-L7 HydrophobicContact CZ-CB 3.95Å; F3-L7 HydrophobicContact CZ-CD1 4.18Å; F3-L7 HydrophobicContact CZ-CD2 3.83Å; F3-L7 HydrophobicContact CZ-CG 4.2Å; F3-L7 WeakPolarHBondContact O-CB 3.5Å; F3-L7 PolarHBondContact O-N 3.22Å; F3-F56 AromaticContact CD1-CD1 3.82Å; F3-F56 HydrophobicContact CD1-CD1 3.82Å; F3-F56 HydrophobicContact CD1-CE1 4.03Å; F3-F56 HydrophobicContact CD2-CD1 4.36Å; F3-F56 HydrophobicContact CD2-CE1 4.05Å; F3-F56 AromaticContact CE1-CD1 3.43Å; F3-F56 HydrophobicContact CE1-CD1 3.43Å; F3-F56 VanDerWaalsContact CE1-CD1 3.43Å; F3-F56 HydrophobicContact CE1-CE1 4.04Å; F3-F56 HydrophobicContact CE1-CG 4.43Å; F3-F56 HydrophobicContact CE2-CD1 4.03Å; F3-F56 HydrophobicContact CE2-CE1 4.07Å; F3-F56 HydrophobicContact CG-CD1 4.28Å; F3-F56 HydrophobicContact CG-CE1 4.06Å; F3-F56 AromaticContact CZ-CD1 3.57Å; F3-F56 HydrophobicContact CZ-CD1 3.57Å; F3-F56 HydrophobicContact CZ-CE1 4.08Å; F3-E59 HydrophobicContact CD1-CB 3.98Å; F3-E59 HydrophobicContact CD1-CG 3.69Å; F3-E59 HydrophobicContact CE1-CB 3.8Å; F3-E59 HydrophobicContact CE1-CG 3.79Å; F3-L286 HydrophobicContact CE2-CD2 4.34Å; F3-L286 HydrophobicContact CZ-CD1 3.92Å; F3-L286 HydrophobicContact CZ-CD2 4.42Å; F3-L303 HydrophobicContact CD2-CD2 3.52Å; F3-L303 HydrophobicContact CE2-CD2 3.56Å; F3-I334 HydrophobicContact CB-CB 3.74Å; F3-I334 HydrophobicContact CB-CG2 3.88Å; F3-I334 WeakPolarHBondContact CB-O 2.98Å; F3-I334 HydrophobicContact CD1-CB 4.46Å; F3-I334 HydrophobicContact CD1-CD1 3.97Å; F3-I334 HydrophobicContact CG-CB 4.38Å; F3-I334 HydrophobicContact CG-CG2 4.37Å; F3-I334 PolarHBondContact N-O 2.85Å
4S87.3Confident81.9Confident28 Ų2848.1 Ų48.120%0.19624%0.244CC..Hα-helixtrans-50.5-44.3174.6-165.40000112.8N2 R8 E59 Q63N2-S4 PolarHBondContact O-N 3.2Å; N2-S4 WeakPolarHBondContact OD1-CB 3.48Å; N2-S4 PolarHBondContact OD1-N 3.29Å; S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 PolarHBondContact O-N 2.87Å; S4-E59 VanDerWaalsContact CA-OE1 3.32Å; S4-E59 WeakPolarHBondContact CA-OE1 3.5Å; S4-E59 WeakPolarHBondContact CB-OE1 3.44Å; S4-E59 PolarHBondContact OG-OE1 3.09Å; S4-Q63 PolarHBondContact O-NE2 3Å; S4-Q63 PolarHBondContact OG-NE2 2.92Å
5E86Confident80.5Confident86 Ų8648.1 Ų48.140%0.40225%0.245SC..Hα-helixtrans-71.7-41.4179.4-64.1175153.900112N2 F3 L7 R8 N9N2-E5 HydrophobicContact CB-CG 4.33Å; N2-E5 PolarHBondContact O-N 3.5Å; F3-E5 VanDerWaalsContact C-N 3.27Å; F3-E5 PolarHBondContact O-N 3.5Å; E5-L7 VanDerWaalsContact C-N 3.33Å; E5-L7 PolarHBondContact O-N 3.16Å; E5-R8 PolarHBondContact O-N 3.12Å; E5-N9 VanDerWaalsContact O-CG 3.23Å; E5-N9 PolarHBondContact O-N 3.04Å; E5-N9 VanDerWaalsContact O-N 3.07Å; E5-N9 PolarHBondContact O-ND2 2.93Å
6I85.5Confident78.1Confident14 Ų1448.4 Ų48.47%0.07225%0.251CS..Hα-helixtrans-58.8-49.6175.5-67.1161.8000109M1 N2 F3 N9 L10 Y325 C336M1-I6 HydrophobicContact CB-CD1 4.29Å; N2-I6 PolarHBondContact O-N 3.29Å; F3-I6 WeakPolarHBondContact O-CB 3.31Å; F3-I6 PolarHBondContact O-N 3.39Å; F3-I6 VanDerWaalsContact O-N 3.14Å; I6-N9 PolarHBondContact O-N 2.96Å; I6-L10 HydrophobicContact CG2-CD1 3.91Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.48Å; I6-L10 PolarHBondContact O-N 3.2Å; I6-Y325 HydrophobicContact CD1-CD1 4.3Å; I6-Y325 HydrophobicContact CD1-CD2 4.07Å; I6-Y325 HydrophobicContact CD1-CE1 4.12Å; I6-Y325 HydrophobicContact CD1-CE2 3.86Å; I6-Y325 HydrophobicContact CD1-CG 4.27Å; I6-Y325 HydrophobicContact CG1-CE2 4.39Å; I6-Y325 HydrophobicContact CG2-CE2 4.04Å; I6-C336 HydrophobicContact CD1-CB 3.54Å
7L87.3Confident76.3Confident0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-66-40.3-177.9-17258.3000112.4F3 E5 N9 L10 L11 E59 C60 Q63 L286F3-L7 HydrophobicContact CE1-CB 4.31Å; F3-L7 HydrophobicContact CE1-CD2 3.82Å; F3-L7 HydrophobicContact CE2-CB 4.19Å; F3-L7 HydrophobicContact CZ-CB 3.95Å; F3-L7 HydrophobicContact CZ-CD1 4.18Å; F3-L7 HydrophobicContact CZ-CD2 3.83Å; F3-L7 HydrophobicContact CZ-CG 4.2Å; F3-L7 WeakPolarHBondContact O-CB 3.5Å; F3-L7 PolarHBondContact O-N 3.22Å; E5-L7 VanDerWaalsContact C-N 3.33Å; E5-L7 PolarHBondContact O-N 3.16Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-L11 HydrophobicContact CD1-CD1 3.85Å; L7-L11 HydrophobicContact CD1-CG 4.07Å; L7-L11 HydrophobicContact CD2-CD1 4.32Å; L7-L11 HydrophobicContact CG-CD1 3.74Å; L7-L11 HydrophobicContact CG-CG 4.37Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 2.93Å; L7-E59 HydrophobicContact CD2-CB 4.28Å; L7-E59 HydrophobicContact CD2-CG 3.96Å; L7-C60 HydrophobicContact CD2-CB 4.38Å; L7-Q63 HydrophobicContact CB-CG 4.19Å; L7-Q63 HydrophobicContact CD2-CB 4.41Å; L7-Q63 HydrophobicContact CD2-CG 3.81Å; L7-Q63 HydrophobicContact CG-CG 3.93Å; L7-L286 HydrophobicContact CD1-CD1 3.9Å; L7-L286 HydrophobicContact CD1-CD2 4.32Å
8R84.6Confident74.8Confident30 Ų3053.1 Ų53.111%0.11329%0.287CS..Hα-helixtrans-56.4-47.8173.6-174.2171.7171.3-108.8-6.4111.5S4 E5 L10 L11 F12 P16 T18 Q63 N67S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 PolarHBondContact O-N 2.87Å; E5-R8 PolarHBondContact O-N 3.12Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.01Å; R8-L11 PolarHBondContact O-N 3.06Å; R8-F12 CarbonylContact O-C 3.57Å; R8-F12 WeakPolarHBondContact O-CA 3.41Å; R8-F12 WeakPolarHBondContact O-CB 3.47Å; R8-F12 PolarHBondContact O-N 3.19Å; R8-P16 PolarHBondContact NH1-O 3.1Å; R8-P16 PolarHBondContact NH2-O 2.9Å; R8-T18 VanDerWaalsContact NH1-N 3.11Å; R8-T18 PolarHBondContact NH1-OG1 3.29Å; R8-T18 VanDerWaalsContact NH1-OG1 3.16Å; R8-Q63 VanDerWaalsContact CB-OE1 3.3Å; R8-N67 PolarHBondContact NE-OD1 2.62Å
9N83.1Confident72.7Confident78 Ų7855.7 Ų55.742%0.41731%0.305SS..Hα-helixtrans-67.4-31.4180-67.3-21.7000112.7E5 I6 L7 P13E5-N9 VanDerWaalsContact O-CG 3.23Å; E5-N9 PolarHBondContact O-N 3.04Å; E5-N9 VanDerWaalsContact O-N 3.07Å; E5-N9 PolarHBondContact O-ND2 2.93Å; I6-N9 PolarHBondContact O-N 2.96Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.34Å; N9-P13 WeakPolarHBondContact O-CA 3.17Å
10L82.6Confident70.5Confident28 Ų2859.6 Ų59.615%0.14734%0.336CS..Hα-helixtrans-69.7-52.5174.9-70.4170000111.2I6 L7 R8 I284 L286 C305 K307I6-L10 HydrophobicContact CG2-CD1 3.91Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.48Å; I6-L10 PolarHBondContact O-N 3.2Å; L7-L10 PolarHBondContact O-N 3.32Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.01Å; L10-I284 HydrophobicContact CB-CD1 4Å; L10-I284 HydrophobicContact CB-CG1 4.32Å; L10-I284 HydrophobicContact CB-CG2 4.46Å; L10-I284 HydrophobicContact CD1-CG2 4.41Å; L10-I284 WeakPolarHBondContact O-CD1 3.12Å; L10-L286 HydrophobicContact CD1-CD2 4.15Å; L10-C305 HydrophobicContact CD1-CB 3.77Å; L10-K307 HydrophobicContact CD2-CB 3.98Å; L10-K307 HydrophobicContact CD2-CD 4.11Å
11L79.9Confident68.6Low1 Ų160.6 Ų60.61%0.00535%0.347CS..Hα-helixtrans-73-36.9-176.3-72.2169000112.9L7 R8 K41 C43 Q63 L248 I284L7-L11 HydrophobicContact CD1-CD1 3.85Å; L7-L11 HydrophobicContact CD1-CG 4.07Å; L7-L11 HydrophobicContact CD2-CD1 4.32Å; L7-L11 HydrophobicContact CG-CD1 3.74Å; L7-L11 HydrophobicContact CG-CG 4.37Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 2.93Å; R8-L11 PolarHBondContact O-N 3.06Å; L11-K41 PolarHBondContact O-NZ 2.77Å; L11-C43 HydrophobicContact CD2-CB 4.5Å; L11-Q63 HydrophobicContact CD1-CB 3.88Å; L11-L248 HydrophobicContact CD2-CD1 4Å; L11-L248 HydrophobicContact CD2-CD2 4.26Å; L11-I284 HydrophobicContact CB-CD1 4.35Å; L11-I284 HydrophobicContact CD2-CD1 3.45Å; L11-I284 VanDerWaalsContact CD2-CD1 3.45Å; L11-I284 HydrophobicContact CG-CD1 3.87Å
12F78Confident66Low18 Ų1863.1 Ų63.18%0.07936%0.361CS..  trans-133.261.3-169-51-70.6000112.4R8 H14 L15 Q63 N67 Y68R8-F12 CarbonylContact O-C 3.57Å; R8-F12 WeakPolarHBondContact O-CA 3.41Å; R8-F12 WeakPolarHBondContact O-CB 3.47Å; R8-F12 PolarHBondContact O-N 3.19Å; F12-H14 PolarHBondContact O-N 3.3Å; F12-L15 HydrophobicContact CB-CB 4.48Å; F12-L15 HydrophobicContact CB-CD1 3.5Å; F12-L15 VanDerWaalsContact CB-CD1 3.5Å; F12-L15 HydrophobicContact CB-CG 4Å; F12-L15 HydrophobicContact CG-CD1 4.02Å; F12-L15 PolarHBondContact O-N 2.9Å; F12-L15 VanDerWaalsContact O-N 3.07Å; F12-Q63 HydrophobicContact CE2-CB 4.24Å; F12-Q63 WeakPolarHBondContact CE2-O 3.41Å; F12-N67 HydrophobicContact CD1-CB 4.44Å; F12-N67 HydrophobicContact CD2-CB 3.83Å; F12-N67 WeakPolarHBondContact CD2-ND2 3.47Å; F12-N67 HydrophobicContact CE1-CB 4.33Å; F12-N67 HydrophobicContact CE2-CB 3.7Å; F12-N67 VanDerWaalsContact CE2-ND2 3.32Å; F12-N67 WeakPolarHBondContact CE2-ND2 3.26Å; F12-N67 HydrophobicContact CG-CB 4.2Å; F12-N67 HydrophobicContact CZ-CB 3.97Å; F12-Y68 HydrophobicContact CE1-CD2 4.13Å; F12-Y68 HydrophobicContact CE1-CE1 4.26Å; F12-Y68 AromaticContact CE1-CE2 3.42Å; F12-Y68 HydrophobicContact CE1-CE2 3.42Å; F12-Y68 VanDerWaalsContact CE1-CE2 3.42Å; F12-Y68 AromaticContact CE1-CZ 3.51Å; F12-Y68 HydrophobicContact CZ-CD2 4.11Å; F12-Y68 AromaticContact CZ-CE2 3.66Å; F12-Y68 HydrophobicContact CZ-CE2 3.66Å
13P67.6Low63.3Low58 Ų5868.4 Ų68.438%0.37738%0.384SS..THydrogen-bonded Turntrans-63.5-17.5-173.827.5-36.8000114.5N9 L15N9-P13 WeakPolarHBondContact O-CA 3.17Å; P13-L15 VanDerWaalsContact C-N 3.34Å
14H67.7Low60.3Low168 Ų16876.1 Ų76.178%0.77843%0.425SS*.THydrogen-bonded Turntrans-82.6-12.7179.6-51.7-59.9000113.2F12F12-H14 PolarHBondContact O-N 3.3Å
15L61.1Low57.7Low48 Ų4880.7 Ų80.725%0.25145%0.446SS..SBendtrans-79137.6177.2-68.8172.9000109.6F12 P13 N67F12-L15 HydrophobicContact CB-CB 4.48Å; F12-L15 HydrophobicContact CB-CD1 3.5Å; F12-L15 VanDerWaalsContact CB-CD1 3.5Å; F12-L15 HydrophobicContact CB-CG 4Å; F12-L15 HydrophobicContact CG-CD1 4.02Å; F12-L15 PolarHBondContact O-N 2.9Å; F12-L15 VanDerWaalsContact O-N 3.07Å; P13-L15 VanDerWaalsContact C-N 3.34Å; L15-N67 HydrophobicContact CD1-CB 4Å; L15-N67 WeakPolarHBondContact CD1-OD1 3.35Å
16P41.7Very low55Low53 Ų5384.9 Ų84.934%0.34447%0.465SS..PPolyproline II helixtrans-59.9144.8176.523-31.2000110.5R8 T18R8-P16 PolarHBondContact NH1-O 3.1Å; R8-P16 PolarHBondContact NH2-O 2.9Å; P16-T18 PolarHBondContact O-N 3.47Å
17P48.3Very low52.5Low93 Ų9388.3 Ų88.360%0.60449%0.487SS*.PPolyproline II helixtrans-55.2138.4174.721.9-30.6000109.5T19P17-T19 PolarHBondContact O-N 3.38Å
18T48.5Very low49.8Very low88 Ų8893.8 Ų93.854%0.5452%0.522SS..  trans-72.579.6177.1280000108.8R8 P16R8-T18 VanDerWaalsContact NH1-N 3.11Å; R8-T18 PolarHBondContact NH1-OG1 3.29Å; R8-T18 VanDerWaalsContact NH1-OG1 3.16Å; P16-T18 PolarHBondContact O-N 3.47Å
19T34.6Very low47.1Very low103 Ų10399 Ų9963%0.63255%0.551SS**  trans-87132.7160.650.30000107.9P17 S21P17-T19 PolarHBondContact O-N 3.38Å; T19-S21 PolarHBondContact O-N 3.43Å
20S29Very low44.6Very low132 Ų132100.1 Ų100.192%0.92357%0.565SS**SBendtrans-65.277.7171.353.50000110.1
21S30.4Very low41.8Very low82 Ų82104.9 Ų104.957%0.57359%0.591SS**  trans-159.5104.2161.961.10000107.6T19 H23T19-S21 PolarHBondContact O-N 3.43Å; S21-H23 PolarHBondContact O-N 3.32Å
22I26.9Very low39.4Very low161 Ų161111.8 Ų111.883%0.82663%0.628SS**  trans-58.9102.9171.8-62.7165.1000107.6
23H29.6Very low36.9Very low167 Ų167117.5 Ų117.577%0.77366%0.659SS**  trans-140128.5155-93.4-32.3000109.2S21 I25S21-H23 PolarHBondContact O-N 3.32Å; H23-I25 PolarHBondContact O-N 3.47Å; H23-I25 VanDerWaalsContact O-N 3.14Å
24N26.4Very low35Very low162 Ų162121.5 Ų121.587%0.86668%0.677SS**  trans-45.7112.5179.5-62.3-23.3000110.5
25I33.1Very low33Very low124 Ų124118.6 Ų118.664%0.63667%0.671SS**  trans-119.3111.3166.3-62.1174.2000106.1H23 V27H23-I25 PolarHBondContact O-N 3.47Å; H23-I25 VanDerWaalsContact O-N 3.14Å; I25-V27 PolarHBondContact O-N 3.09Å; I25-V27 VanDerWaalsContact O-N 3.14Å
26E29.2Very low31.6Very low175 Ų175124.1 Ų124.182%0.81870%0.701SS**  trans-55.7113165.3-69.3177.3157.500108
27V33.7Very low31.5Very low86 Ų86129.3 Ų129.352%0.52172%0.72SS.*  trans-69.6126.4170-178.80000106.5I25 I29I25-V27 PolarHBondContact O-N 3.09Å; I25-V27 VanDerWaalsContact O-N 3.14Å; V27-I29 PolarHBondContact O-N 3.24Å
28P29.2Very low31.8Very low114 Ų114126.5 Ų126.574%0.7470%0.7SS**  trans-63.2115.1176.724.6-30.4000108.6S30P28-S30 PolarHBondContact O-N 3.5Å
29I28.5Very low32.8Very low139 Ų139126.2 Ų126.271%0.71370%0.695SS**  trans-63.9103.9165.2-59.5170.9000105.4V27 N31V27-I29 PolarHBondContact O-N 3.24Å; I29-N31 VanDerWaalsContact C-N 3.26Å; I29-N31 PolarHBondContact O-N 3.18Å
30S29.7Very low34.9Very low102 Ų102123.5 Ų123.571%0.71368%0.677SS**  trans-68.692.2167.463.10000107.6P28 N32P28-S30 PolarHBondContact O-N 3.5Å; S30-N32 PolarHBondContact O-N 3.36Å
31N25.3Very low37.7Very low129 Ų129118.9 Ų118.969%0.6964%0.64SS**  trans-68.875.3163.3-91.2-6.8000108.6I29 N33I29-N31 VanDerWaalsContact C-N 3.26Å; I29-N31 PolarHBondContact O-N 3.18Å; N31-N33 PolarHBondContact O-N 2.64Å; N31-N33 VanDerWaalsContact O-N 3.13Å
32N28.3Very low40.6Very low146 Ų146115.1 Ų115.178%0.78161%0.614SS**  trans-83.673.2162.3-109.50.9000108.1S30 N34S30-N32 PolarHBondContact O-N 3.36Å; N32-N34 PolarHBondContact O-N 3.23Å
33N26.2Very low43.8Very low137 Ų137107.5 Ų107.573%0.73358%0.575SS**  trans-66.388154.5-80.1-15.1000106.8N31N31-N33 PolarHBondContact O-N 2.64Å; N31-N33 VanDerWaalsContact O-N 3.13Å
34N27.1Very low47Very low142 Ų14299.6 Ų99.676%0.75954%0.538SS*.SBendtrans-176109.4154.8-88.3-24.9000110.1N32N32-N34 PolarHBondContact O-N 3.23Å
35T27.1Very low50.3Low108 Ų10891.9 Ų91.966%0.66350%0.497SS*.  trans62.6101.2153.556.40000119.8H37T35-H37 PolarHBondContact O-N 3.02Å
36D30.7Very low53.2Low163 Ų16386 Ų8687%0.87247%0.467SS*.  trans42.538.1135.1-59.7-19.1000121.6
37H39.8Very low56.3Low162 Ų16277.7 Ų77.775%0.7543%0.428SS*.  trans-124.1101.6172.1-68.7-37.6000112.2T35 N39T35-H37 PolarHBondContact O-N 3.02Å; H37-N39 PolarHBondContact O-N 3.32Å
38I53.9Low59Low35 Ų3574 Ų7418%0.17941%0.405CS..  trans-54.1129.9164.7-47.8178.4000107.8N40 H236 I242 I244 L247I38-N40 VanDerWaalsContact CB-OD1 3.26Å; I38-N40 WeakPolarHBondContact CB-OD1 3.35Å; I38-N40 WeakPolarHBondContact CG2-OD1 3.29Å; I38-N40 PolarHBondContact O-N 3.28Å; I38-H236 VanDerWaalsContact CD1-CE1 3.47Å; I38-H236 WeakPolarHBondContact CD1-CE1 3.46Å; I38-H236 WeakPolarHBondContact CD1-NE2 3.46Å; I38-I242 HydrophobicContact CD1-CD1 4.38Å; I38-I242 HydrophobicContact CD1-CG2 3.83Å; I38-I242 HydrophobicContact CG1-CG2 4.39Å; I38-I244 HydrophobicContact CG2-CG2 4.05Å; I38-L247 HydrophobicContact CG2-CB 4.33Å
39N70.3Confident61.7Low82 Ų8268.8 Ų68.844%0.43937%0.372SS..EExtended strand (participates in β ladder)trans-76.571.8178.2-16712.8000110.1H37 K41H37-N39 PolarHBondContact O-N 3.32Å; N39-K41 PolarHBondContact O-N 3.1Å
40N79.5Confident64.3Low46 Ų4669.4 Ų69.425%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-76116.6-178.6-65.3-9.7000109.2I38 L232 L247I38-N40 VanDerWaalsContact CB-OD1 3.26Å; I38-N40 WeakPolarHBondContact CB-OD1 3.35Å; I38-N40 WeakPolarHBondContact CG2-OD1 3.29Å; I38-N40 PolarHBondContact O-N 3.28Å; N40-L232 PolarHBondContact ND2-O 2.81Å; N40-L247 WeakPolarHBondContact CA-O 3.42Å; N40-L247 VanDerWaalsContact OD1-CB 3.24Å; N40-L247 WeakPolarHBondContact OD1-CB 3.24Å
41K87.4Confident66.9Low34 Ų3465 Ų6515%0.14835%0.346CS..EExtended strand (participates in β ladder)trans-110.4136.9174.3-71178.6178.8170.80110L11 N39 L247 L248 V249L11-K41 PolarHBondContact O-NZ 2.77Å; N39-K41 PolarHBondContact O-N 3.1Å; K41-L247 PolarHBondContact N-O 3.11Å; K41-L248 HydrophobicContact CB-CD1 3.85Å; K41-V249 PolarHBondContact O-N 3.22Å
42L91.5Very high69.9Low4 Ų460.5 Ų60.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-107.9122.3168.4173.164.1000109.2L228 L232 V249 I251 R281 A282 S283 I284L42-L228 HydrophobicContact CD1-CD1 3.82Å; L42-L228 HydrophobicContact CD2-CD1 4.12Å; L42-L228 HydrophobicContact CD2-CD2 3.86Å; L42-L232 HydrophobicContact CB-CD1 4.26Å; L42-L232 HydrophobicContact CB-CD2 4.19Å; L42-L232 HydrophobicContact CD2-CD1 4.16Å; L42-V249 CarbonylContact C-O 3.59Å; L42-V249 WeakPolarHBondContact CA-O 3.41Å; L42-V249 HydrophobicContact CD1-CB 4.24Å; L42-V249 HydrophobicContact CD1-CG1 4.1Å; L42-I251 HydrophobicContact CD1-CD1 4.44Å; L42-I251 HydrophobicContact CD1-CG1 4.26Å; L42-R281 HydrophobicContact CD2-CB 4.02Å; L42-A282 HydrophobicContact CD2-CB 4.07Å; L42-A282 HydrophobicContact CG-CB 4.06Å; L42-A282 CarbonylContact O-C 3.57Å; L42-S283 PolarHBondContact N-OG 3.12Å; L42-S283 PolarHBondContact O-N 2.91Å; L42-I284 PolarHBondContact O-N 3.46Å
43C94.1Very high72.9Confident1 Ų153.5 Ų53.51%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-106.9110.9169.3-177.30000109.3L11 L248 V249 C250 I251 I284L11-C43 HydrophobicContact CD2-CB 4.5Å; C43-L248 HydrophobicContact CB-CD1 4.19Å; C43-V249 PolarHBondContact N-O 2.75Å; C43-C250 HydrophobicContact CB-CB 4.24Å; C43-C250 CarbonylContact O-C 3.53Å; C43-C250 VanDerWaalsContact O-CA 3.24Å; C43-C250 WeakPolarHBondContact O-CA 3.46Å; C43-C250 PolarHBondContact O-SG 2.83Å; C43-I251 PolarHBondContact O-N 3.36Å; C43-I284 WeakPolarHBondContact CA-O 3.4Å
44L95.3Very high76Confident1 Ų149.1 Ų49.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-94.5119.7176.5-176.867000109.6L46 I251 W278 K279 A282 I284 T285 L286L44-L46 HydrophobicContact CD1-CD2 4.04Å; L44-L46 HydrophobicContact CD2-CD1 4.13Å; L44-L46 HydrophobicContact CD2-CD2 3.99Å; L44-L46 HydrophobicContact CD2-CG 4.09Å; L44-L46 HydrophobicContact CG-CD2 3.86Å; L44-L46 HydrophobicContact CG-CG 4Å; L44-I251 HydrophobicContact CD1-CB 4.38Å; L44-I251 HydrophobicContact CD1-CG2 4.45Å; L44-W278 HydrophobicContact CD1-CB 4.32Å; L44-W278 HydrophobicContact CD1-CE3 3.85Å; L44-W278 HydrophobicContact CD2-CB 3.94Å; L44-K279 HydrophobicContact CD2-CG 3.76Å; L44-A282 HydrophobicContact CB-CB 3.91Å; L44-I284 PolarHBondContact N-O 2.86Å; L44-T285 HydrophobicContact CB-CG2 4.48Å; L44-T285 HydrophobicContact CD2-CG2 4.34Å; L44-T285 CarbonylContact O-C 3.54Å; L44-T285 WeakPolarHBondContact O-CA 3.41Å; L44-L286 PolarHBondContact O-N 3.37Å
45L96.4Very high79.1Confident0 Ų043.2 Ų43.20%023%0.23CC..EExtended strand (participates in β ladder)trans-104.5111.7172.8173.564.5000109.4F56 F57 I251 G252 L253 L286L45-F56 HydrophobicContact CD1-CB 3.72Å; L45-F56 HydrophobicContact CD1-CG 4.37Å; L45-F56 HydrophobicContact CD2-CB 3.84Å; L45-F56 HydrophobicContact CG-CB 4.46Å; L45-F57 HydrophobicContact CD2-CB 3.65Å; L45-F57 HydrophobicContact CD2-CD2 4.18Å; L45-F57 HydrophobicContact CD2-CG 4.44Å; L45-I251 PolarHBondContact N-O 2.94Å; L45-G252 CarbonylContact O-C 3.53Å; L45-G252 WeakPolarHBondContact O-CA 3.24Å; L45-L253 PolarHBondContact O-N 3.07Å; L45-L286 CarbonylContact C-O 3.6Å; L45-L286 WeakPolarHBondContact CA-O 3.17Å; L45-L286 HydrophobicContact CD1-CB 3.79Å; L45-L286 HydrophobicContact CD1-CD1 4.32Å
46L94.6Very high82.3Confident1 Ų138 Ų381%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-104.1127.2174.3-57.4179.3000109L44 L253 V275 K279 T285 L286 E287 C288L44-L46 HydrophobicContact CD1-CD2 4.04Å; L44-L46 HydrophobicContact CD2-CD1 4.13Å; L44-L46 HydrophobicContact CD2-CD2 3.99Å; L44-L46 HydrophobicContact CD2-CG 4.09Å; L44-L46 HydrophobicContact CG-CD2 3.86Å; L44-L46 HydrophobicContact CG-CG 4Å; L46-L253 WeakPolarHBondContact CA-O 3.4Å; L46-L253 HydrophobicContact CD2-CB 3.69Å; L46-L253 HydrophobicContact CD2-CD2 3.83Å; L46-L253 HydrophobicContact CD2-CG 4.41Å; L46-V275 HydrophobicContact CD1-CG1 3.66Å; L46-V275 HydrophobicContact CD2-CG1 4.18Å; L46-K279 HydrophobicContact CD1-CD 4.32Å; L46-K279 HydrophobicContact CD1-CG 4.35Å; L46-T285 HydrophobicContact CD1-CG2 4.22Å; L46-L286 PolarHBondContact N-O 3Å; L46-E287 HydrophobicContact CB-CB 4.29Å; L46-E287 HydrophobicContact CB-CG 4.15Å; L46-E287 CarbonylContact O-C 3.54Å; L46-E287 VanDerWaalsContact O-CA 3.27Å; L46-E287 WeakPolarHBondContact O-CA 3.35Å; L46-C288 PolarHBondContact O-N 3.44Å; L46-C288 PolarHBondContact O-SG 2.7Å; L46-C288 VanDerWaalsContact O-SG 3.36Å
47S93.5Very high85.3Confident0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-125133.317357.30000109.9H53 L253 H254 V255 C288S47-H53 WeakPolarHBondContact CB-ND1 3.5Å; S47-H53 PolarHBondContact OG-ND1 2.77Å; S47-L253 PolarHBondContact N-O 3.32Å; S47-L253 PolarHBondContact OG-O 3.2Å; S47-H254 WeakPolarHBondContact O-CA 3.14Å; S47-H254 WeakPolarHBondContact OG-CA 3.33Å; S47-H254 PolarHBondContact OG-ND1 3.32Å; S47-V255 PolarHBondContact O-N 2.9Å; S47-C288 WeakPolarHBondContact CA-O 3.12Å; S47-C288 WeakPolarHBondContact CA-SG 3.15Å; S47-C288 WeakPolarHBondContact CB-SG 3.34Å
48H91.2Very high87.8Confident7 Ų722.9 Ų22.93%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-102.7137.7179-67.3-105.8000111.1N50 A51 V255 E287 C288 K289 P290H48-N50 PolarHBondContact O-N 3.12Å; H48-A51 WeakPolarHBondContact O-CB 3.42Å; H48-A51 PolarHBondContact O-N 2.69Å; H48-V255 CarbonylContact C-O 3.56Å; H48-V255 VanDerWaalsContact CA-O 3.3Å; H48-V255 WeakPolarHBondContact CA-O 3.47Å; H48-V255 HydrophobicContact CB-CG2 4.44Å; H48-V255 VanDerWaalsContact CE1-CG2 3.45Å; H48-V255 WeakPolarHBondContact CE1-CG2 3.48Å; H48-V255 WeakPolarHBondContact ND1-CG2 3.37Å; H48-E287 IonicContact NE2-OE1 3.37Å; H48-E287 PolarHBondContact NE2-OE1 3.49Å; H48-C288 PolarHBondContact N-O 2.71Å; H48-K289 HydrophobicContact CB-CG 4Å; H48-K289 WeakPolarHBondContact NE2-CE 3.32Å; H48-P290 VanDerWaalsContact O-CD 3.32Å; H48-P290 WeakPolarHBondContact O-CD 3.33Å
49G84.9Confident89.6Confident6 Ų622.6 Ų22.66%0.06212%0.121CC..THydrogen-bonded Turntrans55.8-131165.400000113.3A51 H254 V255 D257G49-A51 PolarHBondContact O-N 2.91Å; G49-A51 VanDerWaalsContact O-N 3.11Å; G49-H254 PolarHBondContact O-CE1 3.03Å; G49-H254 PolarHBondContact O-NE2 2.87Å; G49-V255 PolarHBondContact N-O 3.18Å; G49-D257 WeakPolarHBondContact CA-OD1 3.47Å
50N84Confident90.7Very high151 Ų15118.7 Ų18.781%0.80710%0.1SC*.THydrogen-bonded Turntrans-80.117.2179.7-65-22.1000114.9H48H48-N50 PolarHBondContact O-N 3.12Å
51A84.1Confident91.3Very high9 Ų916.5 Ų16.57%0.0749%0.088CC..  trans-67.2145.3177.600000112.6H48 G49 H53 C288H48-A51 WeakPolarHBondContact O-CB 3.42Å; H48-A51 PolarHBondContact O-N 2.69Å; G49-A51 PolarHBondContact O-N 2.91Å; G49-A51 VanDerWaalsContact O-N 3.11Å; A51-H53 VanDerWaalsContact C-N 3.31Å; A51-H53 PolarHBondContact O-N 2.85Å; A51-C288 HydrophobicContact CB-CB 4.38Å
52V87.3Confident91.3Very high35 Ų3515.9 Ų15.921%0.2129%0.086CC..  trans-77.171.6-172.8-165.50000112.4E54 L55 F56 V329V52-E54 PolarHBondContact O-N 3.23Å; V52-L55 HydrophobicContact CG1-CB 4.09Å; V52-L55 HydrophobicContact CG1-CD1 3.69Å; V52-L55 HydrophobicContact CG1-CG 3.71Å; V52-F56 VanDerWaalsContact O-CD2 3.27Å; V52-F56 WeakPolarHBondContact O-CD2 3.4Å; V52-V329 HydrophobicContact CB-CG2 4.36Å; V52-V329 HydrophobicContact CG2-CG2 4.05Å
53H91.8Very high91.2Very high0 Ų015.7 Ų15.70%09%0.086CC..Hα-helixtrans-54-47.3-175.8-174.187.9000113.3S47 A51 L55 F56 F57 D209 G252S47-H53 WeakPolarHBondContact CB-ND1 3.5Å; S47-H53 PolarHBondContact OG-ND1 2.77Å; A51-H53 VanDerWaalsContact C-N 3.31Å; A51-H53 PolarHBondContact O-N 2.85Å; H53-L55 VanDerWaalsContact C-N 3.31Å; H53-L55 PolarHBondContact O-N 3.31Å; H53-F56 PolarHBondContact O-N 3.27Å; H53-F57 WeakPolarHBondContact O-CB 3.5Å; H53-F57 PolarHBondContact O-N 2.92Å; H53-D209 IonicContact CD2-OD1 2.61Å; H53-D209 PolarHBondContact CD2-OD1 3.1Å; H53-D209 IonicContact NE2-OD1 3.32Å; H53-D209 PolarHBondContact NE2-OD1 3.45Å; H53-D209 VanDerWaalsContact NE2-OD1 3.16Å; H53-G252 VanDerWaalsContact CE1-CA 3.45Å; H53-G252 WeakPolarHBondContact CE1-CA 3.45Å
54E91.2Very high90.9Very high44 Ų4415.7 Ų15.721%0.2069%0.085CC..Hα-helixtrans-63.1-35.2-168.164.6-82.7-165.200113V52 V58 K113V52-E54 PolarHBondContact O-N 3.23Å; E54-V58 WeakPolarHBondContact O-CB 3.04Å; E54-V58 VanDerWaalsContact O-CG2 3.23Å; E54-V58 WeakPolarHBondContact O-CG2 3.45Å; E54-V58 PolarHBondContact O-N 3.01Å; E54-K113 HydrophobicContact CB-CG 4.44Å
55L92Very high90.5Very high18 Ų1815.7 Ų15.79%0.0949%0.085CC..Hα-helixtrans-73.8-40.8-179.4-65.9-175.9000111.4V52 H53 F57 V58 E59 L121 V329 I334V52-L55 HydrophobicContact CG1-CB 4.09Å; V52-L55 HydrophobicContact CG1-CD1 3.69Å; V52-L55 HydrophobicContact CG1-CG 3.71Å; H53-L55 VanDerWaalsContact C-N 3.31Å; H53-L55 PolarHBondContact O-N 3.31Å; L55-F57 VanDerWaalsContact C-N 3.34Å; L55-V58 PolarHBondContact O-N 2.85Å; L55-E59 WeakPolarHBondContact O-CB 3.41Å; L55-E59 PolarHBondContact O-N 2.82Å; L55-L121 HydrophobicContact CD2-CD1 4.21Å; L55-L121 HydrophobicContact CD2-CD2 4.29Å; L55-V329 HydrophobicContact CD1-CG1 3.32Å; L55-V329 HydrophobicContact CD1-CG2 4.38Å; L55-I334 HydrophobicContact CB-CD1 3.79Å; L55-I334 HydrophobicContact CB-CG1 4.21Å
56F93.8Very high89.8Confident0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-62.6-43.5173.9-75-74.7000111.1F3 L45 V52 H53 E59 C60 C288 L303 F327 I334F3-F56 AromaticContact CD1-CD1 3.82Å; F3-F56 HydrophobicContact CD1-CD1 3.82Å; F3-F56 HydrophobicContact CD1-CE1 4.03Å; F3-F56 HydrophobicContact CD2-CD1 4.36Å; F3-F56 HydrophobicContact CD2-CE1 4.05Å; F3-F56 AromaticContact CE1-CD1 3.43Å; F3-F56 HydrophobicContact CE1-CD1 3.43Å; F3-F56 VanDerWaalsContact CE1-CD1 3.43Å; F3-F56 HydrophobicContact CE1-CE1 4.04Å; F3-F56 HydrophobicContact CE1-CG 4.43Å; F3-F56 HydrophobicContact CE2-CD1 4.03Å; F3-F56 HydrophobicContact CE2-CE1 4.07Å; F3-F56 HydrophobicContact CG-CD1 4.28Å; F3-F56 HydrophobicContact CG-CE1 4.06Å; F3-F56 AromaticContact CZ-CD1 3.57Å; F3-F56 HydrophobicContact CZ-CD1 3.57Å; F3-F56 HydrophobicContact CZ-CE1 4.08Å; L45-F56 HydrophobicContact CD1-CB 3.72Å; L45-F56 HydrophobicContact CD1-CG 4.37Å; L45-F56 HydrophobicContact CD2-CB 3.84Å; L45-F56 HydrophobicContact CG-CB 4.46Å; V52-F56 VanDerWaalsContact O-CD2 3.27Å; V52-F56 WeakPolarHBondContact O-CD2 3.4Å; H53-F56 PolarHBondContact O-N 3.27Å; F56-E59 PolarHBondContact O-N 3.42Å; F56-C60 PolarHBondContact O-N 3.23Å; F56-C60 VanDerWaalsContact O-N 3.12Å; F56-C60 PolarHBondContact O-SG 3.21Å; F56-C288 HydrophobicContact CD2-CB 4.14Å; F56-C288 HydrophobicContact CE2-CB 3.8Å; F56-C288 HydrophobicContact CZ-CB 4.27Å; F56-L303 HydrophobicContact CD1-CD1 4.32Å; F56-L303 HydrophobicContact CE1-CD1 3.83Å; F56-L303 HydrophobicContact CE1-CD2 3.95Å; F56-L303 HydrophobicContact CE1-CG 4.34Å; F56-L303 HydrophobicContact CZ-CD1 4.29Å; F56-F327 HydrophobicContact CE2-CD2 4.4Å; F56-F327 HydrophobicContact CE2-CE1 4.29Å; F56-F327 HydrophobicContact CE2-CE2 4.17Å; F56-F327 HydrophobicContact CE2-CZ 4.11Å; F56-F327 HydrophobicContact CZ-CD1 4.01Å; F56-F327 HydrophobicContact CZ-CD2 4.18Å; F56-F327 HydrophobicContact CZ-CE1 4.18Å; F56-F327 HydrophobicContact CZ-CE2 4.37Å; F56-F327 HydrophobicContact CZ-CG 4.01Å; F56-F327 HydrophobicContact CZ-CZ 4.37Å; F56-I334 HydrophobicContact CD1-CD1 3.68Å; F56-I334 HydrophobicContact CD2-CD1 4.01Å; F56-I334 HydrophobicContact CE1-CD1 3.68Å; F56-I334 HydrophobicContact CE1-CG2 3.93Å; F56-I334 HydrophobicContact CE2-CD1 4.02Å; F56-I334 HydrophobicContact CG-CD1 3.83Å; F56-I334 HydrophobicContact CZ-CD1 3.86Å; F56-I334 HydrophobicContact CZ-CG2 3.79Å
57F94.5Very high89Confident0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-63.8-45.1178.9-173-101.7000112.2L45 H53 L55 E59 C60 I61 I108 Y118 F207 V208 D209L45-F57 HydrophobicContact CD2-CB 3.65Å; L45-F57 HydrophobicContact CD2-CD2 4.18Å; L45-F57 HydrophobicContact CD2-CG 4.44Å; H53-F57 WeakPolarHBondContact O-CB 3.5Å; H53-F57 PolarHBondContact O-N 2.92Å; L55-F57 VanDerWaalsContact C-N 3.34Å; F57-E59 VanDerWaalsContact C-N 3.27Å; F57-E59 PolarHBondContact O-N 3.31Å; F57-C60 WeakPolarHBondContact O-CB 3.23Å; F57-C60 PolarHBondContact O-N 3.2Å; F57-I61 HydrophobicContact CD1-CD1 3.69Å; F57-I61 HydrophobicContact CE1-CD1 3.57Å; F57-I61 HydrophobicContact CZ-CD1 4.4Å; F57-I61 PolarHBondContact O-N 2.95Å; F57-I108 HydrophobicContact CE1-CG2 4.05Å; F57-Y118 HydrophobicContact CD1-CD1 4.33Å; F57-Y118 AromaticContact CD1-CE1 3.64Å; F57-Y118 HydrophobicContact CD1-CE1 3.64Å; F57-Y118 HydrophobicContact CE1-CE1 4.1Å; F57-F207 HydrophobicContact CE1-CB 4.22Å; F57-F207 HydrophobicContact CE2-CB 4.26Å; F57-F207 HydrophobicContact CZ-CB 3.59Å; F57-V208 WeakPolarHBondContact CE2-O 3.42Å; F57-V208 VanDerWaalsContact CZ-C 3.49Å; F57-D209 HydrophobicContact CD1-CB 4.26Å; F57-D209 HydrophobicContact CE1-CB 3.77Å; F57-D209 HydrophobicContact CE2-CB 4.33Å; F57-D209 HydrophobicContact CZ-CB 3.79Å
58V92.5Very high87.8Confident7 Ų721.7 Ų21.74%0.04211%0.113CC..Hα-helixtrans-59.3-39.4174.2161.10000111.6E54 L55 C60 I61 N62 Y118 L121 L122E54-V58 WeakPolarHBondContact O-CB 3.04Å; E54-V58 VanDerWaalsContact O-CG2 3.23Å; E54-V58 WeakPolarHBondContact O-CG2 3.45Å; E54-V58 PolarHBondContact O-N 3.01Å; L55-V58 PolarHBondContact O-N 2.85Å; V58-C60 VanDerWaalsContact C-N 3.34Å; V58-C60 PolarHBondContact O-N 3.26Å; V58-I61 WeakPolarHBondContact O-CB 3.2Å; V58-I61 PolarHBondContact O-N 3.18Å; V58-I61 VanDerWaalsContact O-N 3.15Å; V58-N62 VanDerWaalsContact O-CG 3.28Å; V58-N62 PolarHBondContact O-N 3.1Å; V58-Y118 HydrophobicContact CG2-CD1 3.63Å; V58-Y118 HydrophobicContact CG2-CE1 4Å; V58-L121 HydrophobicContact CG1-CB 3.9Å; V58-L121 HydrophobicContact CG2-CB 4.08Å; V58-L121 HydrophobicContact CG2-CD1 3.76Å; V58-L122 HydrophobicContact CG1-CD2 3.97Å
59E91.6Very high86.2Confident28 Ų2823.5 Ų23.513%0.13113%0.125CC..Hα-helixtrans-68.8-33.2179.6-16956.3-154.400112.2F3 S4 L7 L55 F56 F57 I61 N62 Q63F3-E59 HydrophobicContact CD1-CB 3.98Å; F3-E59 HydrophobicContact CD1-CG 3.69Å; F3-E59 HydrophobicContact CE1-CB 3.8Å; F3-E59 HydrophobicContact CE1-CG 3.79Å; S4-E59 VanDerWaalsContact CA-OE1 3.32Å; S4-E59 WeakPolarHBondContact CA-OE1 3.5Å; S4-E59 WeakPolarHBondContact CB-OE1 3.44Å; S4-E59 PolarHBondContact OG-OE1 3.09Å; L7-E59 HydrophobicContact CD2-CB 4.28Å; L7-E59 HydrophobicContact CD2-CG 3.96Å; L55-E59 WeakPolarHBondContact O-CB 3.41Å; L55-E59 PolarHBondContact O-N 2.82Å; F56-E59 PolarHBondContact O-N 3.42Å; F57-E59 VanDerWaalsContact C-N 3.27Å; F57-E59 PolarHBondContact O-N 3.31Å; E59-I61 VanDerWaalsContact C-N 3.3Å; E59-I61 PolarHBondContact O-N 3.27Å; E59-N62 PolarHBondContact O-N 2.83Å; E59-N62 PolarHBondContact OE2-ND2 2.79Å; E59-Q63 WeakPolarHBondContact O-CG 3.33Å; E59-Q63 PolarHBondContact O-N 2.83Å; E59-Q63 PolarHBondContact OE1-NE2 3.05Å
60C92.7Very high84.3Confident1 Ų127 Ų271%0.00715%0.153CC..Hα-helixtrans-57.8-43.2168.9-65.70000112L7 F56 F57 V58 F64 F207L7-C60 HydrophobicContact CD2-CB 4.38Å; F56-C60 PolarHBondContact O-N 3.23Å; F56-C60 VanDerWaalsContact O-N 3.12Å; F56-C60 PolarHBondContact O-SG 3.21Å; F57-C60 WeakPolarHBondContact O-CB 3.23Å; F57-C60 PolarHBondContact O-N 3.2Å; V58-C60 VanDerWaalsContact C-N 3.34Å; V58-C60 PolarHBondContact O-N 3.26Å; C60-F64 PolarHBondContact O-N 3.48Å; C60-F64 VanDerWaalsContact O-N 3.17Å; C60-F207 HydrophobicContact CB-CE1 4.21Å
61I92.1Very high82.2Confident0 Ų023.2 Ų23.20%014%0.135CC..Hα-helixtrans-66.6-47176.5-62.2155.3000110.3F57 V58 E59 Q63 F64 L65 I108 L122 F207F57-I61 HydrophobicContact CD1-CD1 3.69Å; F57-I61 HydrophobicContact CE1-CD1 3.57Å; F57-I61 HydrophobicContact CZ-CD1 4.4Å; F57-I61 PolarHBondContact O-N 2.95Å; V58-I61 WeakPolarHBondContact O-CB 3.2Å; V58-I61 PolarHBondContact O-N 3.18Å; V58-I61 VanDerWaalsContact O-N 3.15Å; E59-I61 VanDerWaalsContact C-N 3.3Å; E59-I61 PolarHBondContact O-N 3.27Å; I61-Q63 VanDerWaalsContact C-N 3.32Å; I61-Q63 PolarHBondContact O-N 3.47Å; I61-F64 WeakPolarHBondContact O-CB 3.44Å; I61-F64 PolarHBondContact O-N 3.04Å; I61-F64 VanDerWaalsContact O-N 3.16Å; I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 HydrophobicContact CG2-CG 4.1Å; I61-L65 WeakPolarHBondContact O-CG 3.21Å; I61-L65 PolarHBondContact O-N 3.3Å; I61-I108 HydrophobicContact CD1-CD1 3.69Å; I61-I108 HydrophobicContact CD1-CG1 4.33Å; I61-I108 HydrophobicContact CD1-CG2 4.29Å; I61-I108 HydrophobicContact CG1-CD1 4.22Å; I61-I108 HydrophobicContact CG2-CD1 3.95Å; I61-L122 HydrophobicContact CB-CD2 4.07Å; I61-L122 HydrophobicContact CG2-CD1 3.89Å; I61-L122 HydrophobicContact CG2-CD2 3.69Å; I61-L122 HydrophobicContact CG2-CG 4.47Å; I61-F207 HydrophobicContact CB-CD1 4.4Å; I61-F207 HydrophobicContact CB-CE1 4.26Å; I61-F207 HydrophobicContact CB-CZ 4.44Å; I61-F207 HydrophobicContact CD1-CB 4.42Å; I61-F207 HydrophobicContact CD1-CD1 4.29Å; I61-F207 HydrophobicContact CD1-CG 4.34Å; I61-F207 HydrophobicContact CG1-CB 4.16Å; I61-F207 HydrophobicContact CG1-CD1 3.31Å; I61-F207 HydrophobicContact CG1-CD2 4.05Å; I61-F207 HydrophobicContact CG1-CE1 3.62Å; I61-F207 HydrophobicContact CG1-CE2 4.28Å; I61-F207 HydrophobicContact CG1-CG 3.58Å; I61-F207 HydrophobicContact CG1-CZ 4.1Å
62N89.2Confident79.6Confident20 Ų2027 Ų2711%0.10716%0.158CC..Hα-helixtrans-54.4-49.2178.4-72.1-20.7000111.4V58 E59 F64 L65 Q66 L122 L125V58-N62 VanDerWaalsContact O-CG 3.28Å; V58-N62 PolarHBondContact O-N 3.1Å; E59-N62 PolarHBondContact O-N 2.83Å; E59-N62 PolarHBondContact OE2-ND2 2.79Å; N62-F64 VanDerWaalsContact C-N 3.33Å; N62-F64 PolarHBondContact O-N 2.79Å; N62-L65 PolarHBondContact O-N 2.98Å; N62-Q66 WeakPolarHBondContact O-CB 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.42Å; N62-Q66 PolarHBondContact O-N 3.36Å; N62-L122 WeakPolarHBondContact OD1-CD2 3.36Å; N62-L125 HydrophobicContact CB-CD1 4.02Å; N62-L125 WeakPolarHBondContact OD1-CD1 3.43Å
63Q88.2Confident76.8Confident1 Ų130.9 Ų30.91%0.00518%0.182CC..Hα-helixtrans-62.5-40.2179.7-72.3-53.7-42.500112.1S4 L7 R8 L11 F12 E59 I61 N67S4-Q63 PolarHBondContact O-NE2 3Å; S4-Q63 PolarHBondContact OG-NE2 2.92Å; L7-Q63 HydrophobicContact CB-CG 4.19Å; L7-Q63 HydrophobicContact CD2-CB 4.41Å; L7-Q63 HydrophobicContact CD2-CG 3.81Å; L7-Q63 HydrophobicContact CG-CG 3.93Å; R8-Q63 VanDerWaalsContact CB-OE1 3.3Å; L11-Q63 HydrophobicContact CD1-CB 3.88Å; F12-Q63 HydrophobicContact CE2-CB 4.24Å; F12-Q63 WeakPolarHBondContact CE2-O 3.41Å; E59-Q63 WeakPolarHBondContact O-CG 3.33Å; E59-Q63 PolarHBondContact O-N 2.83Å; E59-Q63 PolarHBondContact OE1-NE2 3.05Å; I61-Q63 VanDerWaalsContact C-N 3.32Å; I61-Q63 PolarHBondContact O-N 3.47Å; Q63-N67 WeakPolarHBondContact O-CB 3.29Å; Q63-N67 PolarHBondContact O-N 2.8Å; Q63-N67 VanDerWaalsContact O-N 3.13Å; Q63-N67 PolarHBondContact O-ND2 3.06Å; Q63-N67 PolarHBondContact OE1-ND2 3.12Å
64F88.8Confident73.6Confident0 Ų038 Ų380%022%0.218CC..Hα-helixtrans-62.5-51.4175176.9-96.7000111.7C60 I61 N62 Q66 Y68 T104 C106 N203 F207 L248C60-F64 PolarHBondContact O-N 3.48Å; C60-F64 VanDerWaalsContact O-N 3.17Å; I61-F64 WeakPolarHBondContact O-CB 3.44Å; I61-F64 PolarHBondContact O-N 3.04Å; I61-F64 VanDerWaalsContact O-N 3.16Å; N62-F64 VanDerWaalsContact C-N 3.33Å; N62-F64 PolarHBondContact O-N 2.79Å; F64-Q66 PolarHBondContact O-N 3.06Å; F64-Y68 AromaticContact CD2-CD2 3.38Å; F64-Y68 HydrophobicContact CD2-CD2 3.38Å; F64-Y68 AromaticContact CD2-CE2 3.47Å; F64-Y68 HydrophobicContact CD2-CE2 3.47Å; F64-Y68 VanDerWaalsContact CD2-CE2 3.47Å; F64-Y68 AromaticContact CE2-CD2 3.35Å; F64-Y68 HydrophobicContact CE2-CD2 3.35Å; F64-Y68 AromaticContact CE2-CE2 3.47Å; F64-Y68 HydrophobicContact CE2-CE2 3.47Å; F64-Y68 VanDerWaalsContact CE2-CE2 3.47Å; F64-Y68 HydrophobicContact CE2-CG 4.39Å; F64-Y68 HydrophobicContact CG-CD2 4.12Å; F64-Y68 HydrophobicContact CZ-CD2 4.07Å; F64-Y68 WeakPolarHBondContact O-CD2 3.45Å; F64-Y68 PolarHBondContact O-N 3.42Å; F64-T104 HydrophobicContact CD1-CG2 4.19Å; F64-T104 HydrophobicContact CE1-CG2 3.44Å; F64-T104 VanDerWaalsContact CE1-CG2 3.44Å; F64-T104 HydrophobicContact CZ-CG2 3.91Å; F64-C106 HydrophobicContact CE1-CB 4.35Å; F64-N203 HydrophobicContact CZ-CB 4.36Å; F64-F207 HydrophobicContact CB-CE2 4.37Å; F64-F207 HydrophobicContact CB-CZ 3.64Å; F64-F207 AromaticContact CD1-CE2 3.95Å; F64-F207 HydrophobicContact CD1-CE2 3.95Å; F64-F207 HydrophobicContact CD1-CZ 4.07Å; F64-F207 HydrophobicContact CD2-CZ 4.48Å; F64-F207 HydrophobicContact CG-CE2 4.14Å; F64-F207 AromaticContact CG-CZ 3.81Å; F64-F207 HydrophobicContact CG-CZ 3.81Å; F64-L248 HydrophobicContact CB-CD2 3.96Å; F64-L248 HydrophobicContact CD2-CB 3.75Å; F64-L248 HydrophobicContact CD2-CD2 3.68Å; F64-L248 HydrophobicContact CD2-CG 4.35Å; F64-L248 HydrophobicContact CE2-CB 3.95Å; F64-L248 HydrophobicContact CG-CD2 4.17Å
65L86.8Confident70.5Confident1 Ų142.8 Ų42.81%0.00524%0.24CC..Hα-helixtrans-63.2-43.1-177.3-64.4177.1000111.8I61 N62 T69 T104 C106 L125 L132I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 HydrophobicContact CG2-CG 4.1Å; I61-L65 WeakPolarHBondContact O-CG 3.21Å; I61-L65 PolarHBondContact O-N 3.3Å; N62-L65 PolarHBondContact O-N 2.98Å; L65-T69 VanDerWaalsContact O-CB 3.31Å; L65-T69 WeakPolarHBondContact O-CB 3.41Å; L65-T69 WeakPolarHBondContact O-CG2 3.34Å; L65-T69 PolarHBondContact O-N 3.4Å; L65-T69 PolarHBondContact O-OG1 2.93Å; L65-T104 HydrophobicContact CD2-CG2 4.31Å; L65-C106 HydrophobicContact CD2-CB 3.76Å; L65-L125 HydrophobicContact CB-CD1 4.42Å; L65-L125 HydrophobicContact CD1-CD1 4.2Å; L65-L132 HydrophobicContact CB-CD1 4.47Å; L65-L132 HydrophobicContact CB-CD2 4.43Å; L65-L132 HydrophobicContact CD2-CD1 3.75Å
66Q81.9Confident67.4Low85 Ų8550.1 Ų50.140%0.39727%0.274SS..Hα-helixtrans-69.5-47.6-178.5-72.3179.4-2.600112.8N62 F64 T69 A70 L125N62-Q66 WeakPolarHBondContact O-CB 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.42Å; N62-Q66 PolarHBondContact O-N 3.36Å; F64-Q66 PolarHBondContact O-N 3.06Å; Q66-T69 PolarHBondContact O-OG1 3.16Å; Q66-A70 WeakPolarHBondContact O-CB 3.4Å; Q66-A70 PolarHBondContact O-N 3.43Å; Q66-L125 HydrophobicContact CG-CD2 4.06Å
67N76.4Confident64.1Low20 Ų2054.4 Ų54.411%0.10730%0.304CS..Hα-helixtrans-78.1-24.2-170.8-66.2-69.2000113R8 F12 L15 Q63R8-N67 PolarHBondContact NE-OD1 2.62Å; F12-N67 HydrophobicContact CD1-CB 4.44Å; F12-N67 HydrophobicContact CD2-CB 3.83Å; F12-N67 WeakPolarHBondContact CD2-ND2 3.47Å; F12-N67 HydrophobicContact CE1-CB 4.33Å; F12-N67 HydrophobicContact CE2-CB 3.7Å; F12-N67 VanDerWaalsContact CE2-ND2 3.32Å; F12-N67 WeakPolarHBondContact CE2-ND2 3.26Å; F12-N67 HydrophobicContact CG-CB 4.2Å; F12-N67 HydrophobicContact CZ-CB 3.97Å; L15-N67 HydrophobicContact CD1-CB 4Å; L15-N67 WeakPolarHBondContact CD1-OD1 3.35Å; Q63-N67 WeakPolarHBondContact O-CB 3.29Å; Q63-N67 PolarHBondContact O-N 2.8Å; Q63-N67 VanDerWaalsContact O-N 3.13Å; Q63-N67 PolarHBondContact O-ND2 3.06Å; Q63-N67 PolarHBondContact OE1-ND2 3.12Å
68Y69.2Low60.9Low22 Ų2259.8 Ų59.89%0.08634%0.339CS..Hα-helixtrans-95-11.1175.9-72-62.7000114.7F12 F64 T71 T104 N203 N246F12-Y68 HydrophobicContact CE1-CD2 4.13Å; F12-Y68 HydrophobicContact CE1-CE1 4.26Å; F12-Y68 AromaticContact CE1-CE2 3.42Å; F12-Y68 HydrophobicContact CE1-CE2 3.42Å; F12-Y68 VanDerWaalsContact CE1-CE2 3.42Å; F12-Y68 AromaticContact CE1-CZ 3.51Å; F12-Y68 HydrophobicContact CZ-CD2 4.11Å; F12-Y68 AromaticContact CZ-CE2 3.66Å; F12-Y68 HydrophobicContact CZ-CE2 3.66Å; F64-Y68 AromaticContact CD2-CD2 3.38Å; F64-Y68 HydrophobicContact CD2-CD2 3.38Å; F64-Y68 AromaticContact CD2-CE2 3.47Å; F64-Y68 HydrophobicContact CD2-CE2 3.47Å; F64-Y68 VanDerWaalsContact CD2-CE2 3.47Å; F64-Y68 AromaticContact CE2-CD2 3.35Å; F64-Y68 HydrophobicContact CE2-CD2 3.35Å; F64-Y68 AromaticContact CE2-CE2 3.47Å; F64-Y68 HydrophobicContact CE2-CE2 3.47Å; F64-Y68 VanDerWaalsContact CE2-CE2 3.47Å; F64-Y68 HydrophobicContact CE2-CG 4.39Å; F64-Y68 HydrophobicContact CG-CD2 4.12Å; F64-Y68 HydrophobicContact CZ-CD2 4.07Å; F64-Y68 WeakPolarHBondContact O-CD2 3.45Å; F64-Y68 PolarHBondContact O-N 3.42Å; Y68-T71 PolarHBondContact O-OG1 2.94Å; Y68-T104 VanDerWaalsContact C-OG1 3.25Å; Y68-T104 WeakPolarHBondContact CB-OG1 3.35Å; Y68-T104 PolarHBondContact O-OG1 3.02Å; Y68-N203 HydrophobicContact CD1-CB 3.86Å; Y68-N203 WeakPolarHBondContact CD1-ND2 2.99Å; Y68-N203 HydrophobicContact CD2-CB 4.3Å; Y68-N203 HydrophobicContact CE1-CB 4.48Å; Y68-N203 HydrophobicContact CG-CB 3.75Å; Y68-N246 HydrophobicContact CE1-CB 3.81Å; Y68-N246 WeakPolarHBondContact CE1-ND2 3.37Å; Y68-N246 WeakPolarHBondContact OH-CB 3.48Å
69T56.9Low57.8Low46 Ų4667.4 Ų67.428%0.28237%0.372SS..Hα-helixtrans-88.5-26.9169.352.80000112.7L65 Q66 T71 L132L65-T69 VanDerWaalsContact O-CB 3.31Å; L65-T69 WeakPolarHBondContact O-CB 3.41Å; L65-T69 WeakPolarHBondContact O-CG2 3.34Å; L65-T69 PolarHBondContact O-N 3.4Å; L65-T69 PolarHBondContact O-OG1 2.93Å; Q66-T69 PolarHBondContact O-OG1 3.16Å; T69-T71 VanDerWaalsContact C-N 3.26Å; T69-T71 PolarHBondContact O-N 3.19Å; T69-L132 HydrophobicContact CG2-CD1 3.65Å; T69-L132 HydrophobicContact CG2-CD2 4.46Å
70A46Very low54.8Low79 Ų7971.5 Ų71.565%0.65340%0.401SS*.THydrogen-bonded Turntrans-72.1-12.3-179.800000114.6Q66 T72Q66-A70 WeakPolarHBondContact O-CB 3.4Å; Q66-A70 PolarHBondContact O-N 3.43Å; A70-T72 PolarHBondContact O-N 3.23Å
71T38.5Very low51.8Low71 Ų7176.5 Ų76.544%0.43644%0.443SS..THydrogen-bonded Turntrans-73.415.9-178.734.80000115.3Y68 T69 T73Y68-T71 PolarHBondContact O-OG1 2.94Å; T69-T71 VanDerWaalsContact C-N 3.26Å; T69-T71 PolarHBondContact O-N 3.19Å; T71-T73 PolarHBondContact O-N 3.11Å
72T29.9Very low48.7Very low89 Ų8981.8 Ų81.855%0.54648%0.475SS..  trans-80.187.1168.9-34.50000108.9A70 I74A70-T72 PolarHBondContact O-N 3.23Å; T72-I74 PolarHBondContact O-N 3.25Å; T72-I74 VanDerWaalsContact O-N 3.1Å
73T28.3Very low45.9Very low117 Ų11788.1 Ų88.172%0.71851%0.507SS*.  trans-62.9106.8175.114.30000110.5T71 H75T71-T73 PolarHBondContact O-N 3.11Å; T73-H75 PolarHBondContact O-N 3.35Å
74I25.5Very low43.2Very low148 Ų14893.4 Ų93.476%0.75954%0.544SS*.  trans-75.298.6163.3-58.9173.8000106.9T72 Q76T72-I74 PolarHBondContact O-N 3.25Å; T72-I74 VanDerWaalsContact O-N 3.1Å; I74-Q76 HydrophobicContact CG2-CG 4.19Å; I74-Q76 PolarHBondContact O-N 3.1Å
75H26.6Very low40.3Very low145 Ų145100.5 Ų100.567%0.67158%0.581SS**  trans-77.4101.6163.5-90.8-73.8000108.9T73 S77T73-H75 PolarHBondContact O-N 3.35Å; H75-S77 PolarHBondContact O-N 2.73Å
76Q25.8Very low37.8Very low172 Ų172108.2 Ų108.280%0.80462%0.622SS**  trans-78.8104.2157.3-75.6-177.8-17.200107.5I74I74-Q76 HydrophobicContact CG2-CG 4.19Å; I74-Q76 PolarHBondContact O-N 3.1Å
77S25.1Very low35.5Very low91 Ų91110.5 Ų110.564%0.63664%0.637SS**  trans-58.1130.6167.1170.10000109.4H75 F79H75-S77 PolarHBondContact O-N 2.73Å; S77-F79 VanDerWaalsContact C-N 3.28Å; S77-F79 PolarHBondContact O-N 3.23Å
78P27.3Very low33.5Very low112 Ų112116.6 Ų116.673%0.72767%0.669SS**  trans-89.631-177.436.7-34.5000113.3
79F27.2Very low31.9Very low168 Ų168122.3 Ų122.374%0.73770%0.701SS**  trans-128.8126.8179.5-73.1-77.9000113.4S77 A81S77-F79 VanDerWaalsContact C-N 3.28Å; S77-F79 PolarHBondContact O-N 3.23Å; F79-A81 PolarHBondContact O-N 3.29Å
80P27.9Very low30.8Very low113 Ų113126.8 Ų126.873%0.73472%0.724SS**  trans-78104.7165.830.8-26.7000108.4T82P80-T82 PolarHBondContact O-N 2.6Å; P80-T82 VanDerWaalsContact O-N 3.16Å
81A29.8Very low30.1Very low107 Ų107130 Ų13088%0.88473%0.73SS**  trans-75.1103.5171.200000109.2F79F79-A81 PolarHBondContact O-N 3.29Å
82T28.5Very low29.9Very low111 Ų111133.2 Ų133.268%0.68175%0.745SS**  trans-111.7115.7168.9-14.20000108.2P80P80-T82 PolarHBondContact O-N 2.6Å; P80-T82 VanDerWaalsContact O-N 3.16Å
83I30Very low30.1Very low152 Ų152136.7 Ų136.778%0.77976%0.76SS**  trans65.5121.7146.4-53.7154.4000119.3
84S30.9Very low30.2Very low113 Ų113137.4 Ų137.479%0.7976%0.759SS**  -167.2123.9109.453.80000111.7
85I28.7Very low30.6Very low149 Ų149136.3 Ų136.376%0.76476%0.76SS**  trans-72.4124.5168.1-63.1161.8000106.6
86D33.6Very low30.8Very low163 Ų163135 Ų13587%0.87276%0.761SS**  trans-147.1131.8151.6-105.8-24.6000109.8
87D32.9Very low31.2Very low133 Ų133132 Ų13271%0.71176%0.757SS**  trans-74.5153.9-171.9-76.5-47.8000113.1
88N35.7Very low31.5Very low147 Ų147134.4 Ų134.479%0.78676%0.763SS**  trans83.4120.3157.6-67.9-37.4000120.1
89N35.7Very low31.9Very low142 Ų142136.4 Ų136.476%0.75976%0.762SS**  trans87.8109.2146.7-75.6-20.6000119.8
90N32.9Very low32.8Very low141 Ų141134.5 Ų134.575%0.75476%0.755SS**  trans73.4124.3140-79.6-14.8000119.5
91N31.6Very low34.1Very low147 Ų147134.7 Ų134.779%0.78675%0.746SS**  trans62.195.1156.8-70.3-11.1000115.7
92D34.8Very low35.7Very low138 Ų138131.3 Ų131.374%0.73872%0.716SS**  trans-161.3101.3134.6-91.6-25.1000109.1N94D92-N94 PolarHBondContact O-N 3.28Å
93N33.4Very low38Very low161 Ų161127.5 Ų127.586%0.86169%0.693SS**  trans-69.975.1159-86.2-12.2000107.7T95N93-T95 PolarHBondContact O-N 3.14Å; N93-T95 VanDerWaalsContact O-N 3.09Å
94N30.1Very low40.5Very low133 Ų133120.6 Ų120.671%0.71166%0.658SS**  trans-79.280.9163.3-81.6-32.3000107.9D92 V96D92-N94 PolarHBondContact O-N 3.28Å; N94-V96 PolarHBondContact O-N 3.23Å
95T34.1Very low43.3Very low125 Ų125116.6 Ų116.677%0.76763%0.626SS**  trans-66.5109.8163.943.80000108.3N93N93-T95 PolarHBondContact O-N 3.14Å; N93-T95 VanDerWaalsContact O-N 3.09Å
96V31.9Very low46.3Very low116 Ų116109.5 Ų109.570%0.70359%0.59SS**PPolyproline II helixtrans-46.1130.8163.4179.50000108.4N94 D98N94-V96 PolarHBondContact O-N 3.23Å; V96-D98 PolarHBondContact O-N 3Å; V96-D98 VanDerWaalsContact O-N 3.16Å
97P33.3Very low49.1Very low109 Ų109101.9 Ų101.971%0.70855%0.549SS*.PPolyproline II helixtrans-66.4118.1178.725.5-30.7000109.4H99P97-H99 PolarHBondContact O-N 2.9Å
98D31.7Very low52.1Low143 Ų14395.6 Ų95.677%0.76552%0.515SS*.PPolyproline II helixtrans-52121.4172.2-86.3-33000110V96 Q100V96-D98 PolarHBondContact O-N 3Å; V96-D98 VanDerWaalsContact O-N 3.16Å; D98-Q100 PolarHBondContact O-N 3.34Å; D98-Q100 VanDerWaalsContact O-N 3.12Å
99H35.8Very low54.9Low154 Ų15488.6 Ų88.671%0.71348%0.478SS*.  trans-60.3115.6175.1-66.9-65000109.8P97 H101P97-H99 PolarHBondContact O-N 2.9Å; H99-H101 PolarHBondContact O-N 3.46Å
100Q45.4Very low57.6Low127 Ų12781.8 Ų81.859%0.59344%0.442SS*.  trans-62.397173.2-81.2175.5-17.300110.2D98 S102D98-Q100 PolarHBondContact O-N 3.34Å; D98-Q100 VanDerWaalsContact O-N 3.12Å; Q100-S102 PolarHBondContact O-N 3.31Å
101H55.8Low60.4Low117 Ų11775.8 Ų75.854%0.54241%0.409SS..  trans-75.7103.3169.9-75.1-65.9000109.6H99H99-H101 PolarHBondContact O-N 3.46Å
102S63.1Low63Low36 Ų3671.6 Ų71.625%0.25238%0.384SS..  trans-72135.5167.467.90000110.1Q100 Q201Q100-S102 PolarHBondContact O-N 3.31Å; S102-Q201 CarbonylContact C-O 3.52Å; S102-Q201 WeakPolarHBondContact CA-O 3.47Å
103T76.6Confident65.4Low32 Ų3268.1 Ų68.120%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-117.5136.5177.352.70000110.1Q201 H202 N203T103-Q201 PolarHBondContact N-O 2.91Å; T103-H202 CarbonylContact O-C 3.59Å; T103-H202 VanDerWaalsContact O-CA 3.29Å; T103-H202 WeakPolarHBondContact O-CA 3.05Å; T103-H202 PolarHBondContact OG1-CE1 2.69Å; T103-H202 PolarHBondContact OG1-ND1 3.24Å; T103-N203 PolarHBondContact O-N 2.83Å
104T83.7Confident68Low6 Ų662.3 Ų62.34%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-97.1129.6178.2-63.60000109.5F64 L65 Y68 N135 N203F64-T104 HydrophobicContact CD1-CG2 4.19Å; F64-T104 HydrophobicContact CE1-CG2 3.44Å; F64-T104 VanDerWaalsContact CE1-CG2 3.44Å; F64-T104 HydrophobicContact CZ-CG2 3.91Å; L65-T104 HydrophobicContact CD2-CG2 4.31Å; Y68-T104 VanDerWaalsContact C-OG1 3.25Å; Y68-T104 WeakPolarHBondContact CB-OG1 3.35Å; Y68-T104 PolarHBondContact O-OG1 3.02Å; T104-N135 WeakPolarHBondContact O-CB 3.43Å; T104-N135 PolarHBondContact O-ND2 2.89Å; T104-N203 CarbonylContact C-O 3.6Å; T104-N203 WeakPolarHBondContact CA-O 3.07Å
105K88.4Confident70.8Confident30 Ų3061 Ų6113%0.1332%0.32CS..EExtended strand (participates in β ladder)trans-123.2139.6174.7-61.5-178.3-175.1172.10110.5N135 F186 N189 S190 N203 V204 G205K105-N135 WeakPolarHBondContact CA-O 3.44Å; K105-N135 HydrophobicContact CG-CB 4.25Å; K105-F186 HydrophobicContact CB-CE2 4.11Å; K105-F186 HydrophobicContact CB-CZ 3.64Å; K105-N189 PolarHBondContact NZ-O 3.21Å; K105-S190 WeakPolarHBondContact CD-OG 3.41Å; K105-S190 PolarHBondContact NZ-OG 3.46Å; K105-S190 VanDerWaalsContact NZ-OG 3.1Å; K105-N203 PolarHBondContact N-O 2.89Å; K105-V204 CarbonylContact O-C 3.55Å; K105-V204 WeakPolarHBondContact O-CA 3.33Å; K105-G205 PolarHBondContact O-N 3.12Å
106C91.6Very high73.4Confident0 Ų058.5 Ų58.50%030%0.301CS..EExtended strand (participates in β ladder)trans-136.1128.9-176.2-176.10000111.3F64 L65 N135 L136 T137 G205 F207F64-C106 HydrophobicContact CE1-CB 4.35Å; L65-C106 HydrophobicContact CD2-CB 3.76Å; C106-N135 PolarHBondContact N-O 3.36Å; C106-L136 HydrophobicContact CB-CD1 3.71Å; C106-L136 WeakPolarHBondContact O-CA 3.34Å; C106-T137 PolarHBondContact O-N 2.94Å; C106-G205 CarbonylContact C-O 3.57Å; C106-G205 WeakPolarHBondContact CA-O 3.16Å; C106-F207 WeakPolarHBondContact SG-CD2 3.22Å; C106-F207 WeakPolarHBondContact SG-CE2 3.28Å
107L93.5Very high76Confident3 Ų356 Ų562%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-117126.5174.2177.962000109.2F109 T137 I139 F186 G205 F207L107-F109 HydrophobicContact CD1-CE2 4.3Å; L107-F109 HydrophobicContact CD1-CZ 4.26Å; L107-F109 HydrophobicContact CD2-CE2 3.49Å; L107-F109 VanDerWaalsContact CD2-CE2 3.49Å; L107-F109 HydrophobicContact CD2-CZ 3.69Å; L107-F109 HydrophobicContact CG-CD2 4.3Å; L107-F109 HydrophobicContact CG-CE2 3.63Å; L107-F109 HydrophobicContact CG-CZ 4.02Å; L107-T137 CarbonylContact C-O 3.47Å; L107-T137 WeakPolarHBondContact CA-O 3.4Å; L107-T137 HydrophobicContact CD1-CG2 3.67Å; L107-I139 HydrophobicContact CD1-CD1 3.83Å; L107-I139 HydrophobicContact CD1-CG1 4.27Å; L107-F186 HydrophobicContact CB-CD1 3.79Å; L107-F186 HydrophobicContact CB-CD2 4.27Å; L107-F186 HydrophobicContact CB-CE1 3.59Å; L107-F186 HydrophobicContact CB-CE2 4.12Å; L107-F186 HydrophobicContact CB-CG 4.11Å; L107-F186 HydrophobicContact CB-CZ 3.77Å; L107-F186 HydrophobicContact CD2-CB 3.93Å; L107-F186 HydrophobicContact CD2-CD1 3.95Å; L107-F186 HydrophobicContact CD2-CG 3.93Å; L107-G205 PolarHBondContact N-O 2.87Å; L107-F207 PolarHBondContact O-N 3.04Å
108I94.4Very high78.6Confident0 Ų050.8 Ų50.80%025%0.25CC..EExtended strand (participates in β ladder)trans-124.3124.6-177-50179.5000109.5F57 I61 L122 L136 T137 I138 I139 F207F57-I108 HydrophobicContact CE1-CG2 4.05Å; I61-I108 HydrophobicContact CD1-CD1 3.69Å; I61-I108 HydrophobicContact CD1-CG1 4.33Å; I61-I108 HydrophobicContact CD1-CG2 4.29Å; I61-I108 HydrophobicContact CG1-CD1 4.22Å; I61-I108 HydrophobicContact CG2-CD1 3.95Å; I108-L122 HydrophobicContact CD1-CD1 3.71Å; I108-L136 HydrophobicContact CD1-CD1 3.65Å; I108-L136 HydrophobicContact CG1-CD1 4.15Å; I108-T137 PolarHBondContact N-O 3.46Å; I108-I138 HydrophobicContact CB-CG2 4.41Å; I108-I138 HydrophobicContact CD1-CG1 4.21Å; I108-I139 PolarHBondContact O-N 3.27Å; I108-F207 CarbonylContact C-O 3.48Å; I108-F207 WeakPolarHBondContact CA-O 3.39Å; I108-F207 HydrophobicContact CB-CB 4.46Å; I108-F207 HydrophobicContact CG1-CB 4.18Å; I108-F207 HydrophobicContact CG1-CD2 4.41Å; I108-F207 HydrophobicContact CG2-CB 4.29Å
109F95.1Very high81.3Confident0 Ų046.8 Ų46.80%023%0.226CC..EExtended strand (participates in β ladder)trans-104.7122.3170-64.2-84.9000109.5L107 F111 I139 M141 I179 K182 F207 V208 D209L107-F109 HydrophobicContact CD1-CE2 4.3Å; L107-F109 HydrophobicContact CD1-CZ 4.26Å; L107-F109 HydrophobicContact CD2-CE2 3.49Å; L107-F109 VanDerWaalsContact CD2-CE2 3.49Å; L107-F109 HydrophobicContact CD2-CZ 3.69Å; L107-F109 HydrophobicContact CG-CD2 4.3Å; L107-F109 HydrophobicContact CG-CE2 3.63Å; L107-F109 HydrophobicContact CG-CZ 4.02Å; F109-F111 HydrophobicContact CB-CE2 4.39Å; F109-I139 HydrophobicContact CD1-CB 3.98Å; F109-I139 HydrophobicContact CD1-CD1 4.11Å; F109-I139 HydrophobicContact CD1-CG2 4.12Å; F109-I139 HydrophobicContact CE1-CB 4.29Å; F109-I139 HydrophobicContact CE1-CD1 3.52Å; F109-I139 HydrophobicContact CE1-CG1 4.41Å; F109-I139 HydrophobicContact CE1-CG2 4.36Å; F109-I139 HydrophobicContact CZ-CD1 4.07Å; F109-M141 HydrophobicContact CB-CG 4.24Å; F109-M141 HydrophobicContact CD1-CG 4.43Å; F109-M141 HydrophobicContact CD1-SD 3.78Å; F109-I179 HydrophobicContact CD1-CB 4.43Å; F109-I179 HydrophobicContact CD1-CG1 3.9Å; F109-I179 HydrophobicContact CD1-CG2 3.95Å; F109-I179 HydrophobicContact CD2-CG2 3.88Å; F109-I179 HydrophobicContact CE1-CB 4.03Å; F109-I179 HydrophobicContact CE1-CG1 3.86Å; F109-I179 HydrophobicContact CE1-CG2 3.66Å; F109-I179 HydrophobicContact CE2-CG2 3.58Å; F109-I179 HydrophobicContact CG-CG2 4.04Å; F109-I179 HydrophobicContact CZ-CB 4.19Å; F109-I179 HydrophobicContact CZ-CG2 3.47Å; F109-I179 VanDerWaalsContact CZ-CG2 3.47Å; F109-K182 HydrophobicContact CE1-CB 4.25Å; F109-K182 HydrophobicContact CZ-CB 3.98Å; F109-F207 PolarHBondContact N-O 2.86Å; F109-V208 HydrophobicContact CB-CG1 4.39Å; F109-V208 HydrophobicContact CD2-CG2 4.08Å; F109-D209 WeakPolarHBondContact O-CB 3.32Å; F109-D209 PolarHBondContact O-N 2.82Å
110C93Very high83.8Confident0 Ų046.3 Ų46.30%022%0.222CC..EExtended strand (participates in β ladder)trans-108.5106.8-172.4-50.10000110.7K113 Y118 I138 I139 M141C110-K113 VanDerWaalsContact CB-O 3.25Å; C110-K113 WeakPolarHBondContact CB-O 3.35Å; C110-Y118 HydrophobicContact CB-CD2 3.83Å; C110-Y118 HydrophobicContact CB-CE2 3.65Å; C110-Y118 WeakPolarHBondContact SG-CD2 3.43Å; C110-I138 WeakPolarHBondContact SG-CG2 3.36Å; C110-I139 PolarHBondContact N-O 3.33Å; C110-M141 WeakPolarHBondContact O-CA 3.23Å; C110-M141 VanDerWaalsContact O-CB 3.22Å; C110-M141 WeakPolarHBondContact O-CB 3.47Å; C110-M141 PolarHBondContact O-N 2.78Å
111F91.1Very high85.8Confident14 Ų1441.7 Ų41.76%0.06120%0.201CC..SBendtrans-102.9-33.3-178.8-81.7-89.2000113.6F109 M141 T142 L145 I175 I179 V208 D209 N210 A213 L214F109-F111 HydrophobicContact CB-CE2 4.39Å; F111-M141 HydrophobicContact CD1-CB 3.82Å; F111-M141 HydrophobicContact CD1-CG 4.31Å; F111-M141 HydrophobicContact CD2-CB 4.23Å; F111-M141 HydrophobicContact CD2-CG 3.92Å; F111-M141 HydrophobicContact CE1-CB 3.95Å; F111-M141 HydrophobicContact CE1-CE 4.47Å; F111-M141 HydrophobicContact CE1-CG 4.19Å; F111-M141 HydrophobicContact CE2-CB 4.37Å; F111-M141 HydrophobicContact CE2-CG 3.8Å; F111-M141 HydrophobicContact CG-CB 4.01Å; F111-M141 HydrophobicContact CG-CG 4.21Å; F111-M141 HydrophobicContact CZ-CB 4.25Å; F111-M141 HydrophobicContact CZ-CE 4.22Å; F111-M141 HydrophobicContact CZ-CG 3.97Å; F111-T142 WeakPolarHBondContact O-CG2 3.36Å; F111-L145 HydrophobicContact CD1-CD1 4.03Å; F111-L145 HydrophobicContact CE1-CD1 4.25Å; F111-I175 HydrophobicContact CE1-CG2 4.14Å; F111-I175 HydrophobicContact CZ-CG2 4.02Å; F111-I179 HydrophobicContact CE2-CD1 3.74Å; F111-I179 HydrophobicContact CZ-CD1 3.46Å; F111-I179 VanDerWaalsContact CZ-CD1 3.46Å; F111-V208 HydrophobicContact CD2-CG1 4.31Å; F111-V208 HydrophobicContact CE2-CG1 4.06Å; F111-D209 WeakPolarHBondContact CB-O 3.41Å; F111-D209 WeakPolarHBondContact CD2-O 3.36Å; F111-D209 PolarHBondContact N-OD2 2.99Å; F111-D209 VanDerWaalsContact N-OD2 3.13Å; F111-N210 HydrophobicContact CB-CB 4.25Å; F111-A213 HydrophobicContact CB-CB 4.2Å; F111-A213 HydrophobicContact CD1-CB 3.6Å; F111-A213 HydrophobicContact CE1-CB 4.18Å; F111-A213 HydrophobicContact CG-CB 4.14Å; F111-L214 HydrophobicContact CE1-CD2 3.9Å; F111-L214 HydrophobicContact CE1-CG 4.27Å; F111-L214 HydrophobicContact CZ-CD1 4.4Å; F111-L214 HydrophobicContact CZ-CD2 3.69Å; F111-L214 HydrophobicContact CZ-CG 3.87Å
112H85.6Confident87.2Confident59 Ų5936.1 Ų36.127%0.27318%0.176SC..SBendtrans-86.1-48.7-177.1-168.6161000110.6D209 N210H112-D209 WeakPolarHBondContact CA-OD2 3.35Å; H112-D209 WeakPolarHBondContact CB-OD2 3.24Å; H112-D209 PolarHBondContact N-OD2 2.83Å; H112-N210 HydrophobicContact CB-CB 4.02Å
113K86.9Confident88.2Confident65 Ų6537 Ų3728%0.28318%0.178SC..SBendtrans-118.8149.9-177.9-60.1-55.4-175.5-159.60111.2E54 C110 I117 Y118E54-K113 HydrophobicContact CB-CG 4.44Å; C110-K113 VanDerWaalsContact CB-O 3.25Å; C110-K113 WeakPolarHBondContact CB-O 3.35Å; K113-I117 HydrophobicContact CB-CB 4.08Å; K113-I117 HydrophobicContact CB-CD1 3.74Å; K113-I117 HydrophobicContact CB-CG1 4.46Å; K113-I117 HydrophobicContact CB-CG2 4.23Å; K113-I117 HydrophobicContact CD-CD1 3.9Å; K113-I117 HydrophobicContact CG-CD1 4.02Å; K113-I117 HydrophobicContact CG-CG2 4.42Å; K113-Y118 HydrophobicContact CB-CD2 4.49Å; K113-Y118 HydrophobicContact CB-CE2 3.73Å; K113-Y118 WeakPolarHBondContact O-CE2 3.46Å
114S87.8Confident88.6Confident39 Ų3940 Ų4027%0.27320%0.198SC..  trans-59.5155.7172.966.50000112.2N116 I117 D140S114-N116 PolarHBondContact O-N 3.31Å; S114-I117 PolarHBondContact O-N 3.03Å; S114-D140 WeakPolarHBondContact CA-OD2 3.46Å; S114-D140 VanDerWaalsContact CB-OD2 3.29Å; S114-D140 WeakPolarHBondContact CB-OD2 3.42Å
115W89.2Confident88.3Confident106 Ų10641.9 Ų41.940%0.40221%0.207SC..Hα-helixtrans-53.8-31.4178.874.1-89.9000112.8I117 Y118 H119 I138 D140W115-I117 PolarHBondContact O-N 2.91Å; W115-Y118 PolarHBondContact O-N 3.47Å; W115-H119 HydrophobicContact CE3-CB 3.77Å; W115-H119 HydrophobicContact CZ3-CB 3.81Å; W115-H119 AromaticContact CZ3-CD2 3.86Å; W115-H119 AromaticContact CZ3-CG 3.79Å; W115-H119 WeakPolarHBondContact O-CB 3.32Å; W115-H119 PolarHBondContact O-N 3.16Å; W115-I138 HydrophobicContact CB-CG2 3.77Å; W115-D140 HydrophobicContact CB-CB 4Å; W115-D140 VanDerWaalsContact CD1-OD2 3.22Å; W115-D140 HydrophobicContact CG-CB 4.32Å; W115-D140 PolarHBondContact N-OD2 3.46Å
116N88Confident87.8Confident72 Ų7240.7 Ų40.739%0.38520%0.202SC..Hα-helixtrans-58.6-34.8-179.9-85.2-40.5000112.8S114 K120S114-N116 PolarHBondContact O-N 3.31Å; N116-K120 WeakPolarHBondContact O-CB 3.4Å; N116-K120 VanDerWaalsContact O-CG 3.24Å; N116-K120 WeakPolarHBondContact O-CG 3.46Å; N116-K120 PolarHBondContact O-N 3.43Å
117I87.3Confident87.2Confident64 Ų6444.2 Ų44.233%0.32822%0.224SC..Hα-helixtrans-71.1-51-179.9-68.9170.2000109.3K113 S114 W115 H119 K120 L121K113-I117 HydrophobicContact CB-CB 4.08Å; K113-I117 HydrophobicContact CB-CD1 3.74Å; K113-I117 HydrophobicContact CB-CG1 4.46Å; K113-I117 HydrophobicContact CB-CG2 4.23Å; K113-I117 HydrophobicContact CD-CD1 3.9Å; K113-I117 HydrophobicContact CG-CD1 4.02Å; K113-I117 HydrophobicContact CG-CG2 4.42Å; S114-I117 PolarHBondContact O-N 3.03Å; W115-I117 PolarHBondContact O-N 2.91Å; I117-H119 VanDerWaalsContact C-N 3.33Å; I117-H119 PolarHBondContact O-N 3.37Å; I117-K120 PolarHBondContact O-N 2.82Å; I117-L121 HydrophobicContact CG2-CD1 3.98Å; I117-L121 WeakPolarHBondContact O-CG 3.4Å; I117-L121 PolarHBondContact O-N 3.47Å
118Y87.2Confident86.4Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-59.6-43.9175.7-64.8-75.9000111.7F57 V58 C110 K113 W115 K120 L121 L122 D209F57-Y118 HydrophobicContact CD1-CD1 4.33Å; F57-Y118 AromaticContact CD1-CE1 3.64Å; F57-Y118 HydrophobicContact CD1-CE1 3.64Å; F57-Y118 HydrophobicContact CE1-CE1 4.1Å; V58-Y118 HydrophobicContact CG2-CD1 3.63Å; V58-Y118 HydrophobicContact CG2-CE1 4Å; C110-Y118 HydrophobicContact CB-CD2 3.83Å; C110-Y118 HydrophobicContact CB-CE2 3.65Å; C110-Y118 WeakPolarHBondContact SG-CD2 3.43Å; K113-Y118 HydrophobicContact CB-CD2 4.49Å; K113-Y118 HydrophobicContact CB-CE2 3.73Å; K113-Y118 WeakPolarHBondContact O-CE2 3.46Å; W115-Y118 PolarHBondContact O-N 3.47Å; Y118-K120 PolarHBondContact O-N 2.87Å; Y118-L121 PolarHBondContact O-N 2.89Å; Y118-L122 WeakPolarHBondContact O-CB 3.43Å; Y118-L122 VanDerWaalsContact O-CG 3.24Å; Y118-L122 WeakPolarHBondContact O-CG 3.37Å; Y118-L122 PolarHBondContact O-N 3.4Å; Y118-D209 PolarHBondContact OH-OD1 2.81Å; Y118-D209 PolarHBondContact OH-OD2 2.84Å
119H87.1Confident85.6Confident58 Ų5854.5 Ų54.527%0.26928%0.279SS..Hα-helixtrans-57.1-50.6175.2-178.7-80.4000111.1W115 I117 L121 L122 N123 Y126 I138W115-H119 HydrophobicContact CE3-CB 3.77Å; W115-H119 HydrophobicContact CZ3-CB 3.81Å; W115-H119 AromaticContact CZ3-CD2 3.86Å; W115-H119 AromaticContact CZ3-CG 3.79Å; W115-H119 WeakPolarHBondContact O-CB 3.32Å; W115-H119 PolarHBondContact O-N 3.16Å; I117-H119 VanDerWaalsContact C-N 3.33Å; I117-H119 PolarHBondContact O-N 3.37Å; H119-L121 VanDerWaalsContact C-N 3.26Å; H119-L121 PolarHBondContact O-N 3.13Å; H119-L122 PolarHBondContact O-N 2.9Å; H119-N123 WeakPolarHBondContact O-CA 3.4Å; H119-N123 WeakPolarHBondContact O-CB 3.25Å; H119-N123 PolarHBondContact O-N 3.06Å; H119-Y126 AromaticContact CD2-CZ 3.97Å; H119-Y126 PolarHBondContact CD2-OH 2.92Å; H119-Y126 VanDerWaalsContact CG-OH 3.27Å; H119-Y126 AromaticContact NE2-CE2 3.93Å; H119-Y126 PolarHBondContact NE2-OH 2.92Å; H119-Y126 PolarHBondContact O-OH 2.86Å; H119-I138 HydrophobicContact CB-CD1 4.5Å
120K88.5Confident84.8Confident144 Ų14460.4 Ų60.463%0.62631%0.309SS*.Hα-helixtrans-61-32.2178.6-77.3174.1-177.8178.80114N116 I117 Y118 K332N116-K120 WeakPolarHBondContact O-CB 3.4Å; N116-K120 VanDerWaalsContact O-CG 3.24Å; N116-K120 WeakPolarHBondContact O-CG 3.46Å; N116-K120 PolarHBondContact O-N 3.43Å; I117-K120 PolarHBondContact O-N 2.82Å; Y118-K120 PolarHBondContact O-N 2.87Å; K120-K332 PolarHBondContact O-NZ 3.27Å
121L87.2Confident83.9Confident30 Ų3064.7 Ų64.716%0.15734%0.335CS..Hα-helixtrans-78.3-39.9179.3-68.3172.1000111.7L55 V58 I117 Y118 H119 P124 K332L55-L121 HydrophobicContact CD2-CD1 4.21Å; L55-L121 HydrophobicContact CD2-CD2 4.29Å; V58-L121 HydrophobicContact CG1-CB 3.9Å; V58-L121 HydrophobicContact CG2-CB 4.08Å; V58-L121 HydrophobicContact CG2-CD1 3.76Å; I117-L121 HydrophobicContact CG2-CD1 3.98Å; I117-L121 WeakPolarHBondContact O-CG 3.4Å; I117-L121 PolarHBondContact O-N 3.47Å; Y118-L121 PolarHBondContact O-N 2.89Å; H119-L121 VanDerWaalsContact C-N 3.26Å; H119-L121 PolarHBondContact O-N 3.13Å; L121-P124 WeakPolarHBondContact O-CD 3.29Å; L121-K332 HydrophobicContact CD2-CD 3.7Å; L121-K332 HydrophobicContact CD2-CG 3.83Å
122L86.7Confident83.2Confident0 Ų064.4 Ų64.40%033%0.334CS..Hα-helixtrans-86-22.7-178.6-61.2173.9000114V58 I61 N62 I108 Y118 H119 P124 L125 Y126 L136 I138V58-L122 HydrophobicContact CG1-CD2 3.97Å; I61-L122 HydrophobicContact CB-CD2 4.07Å; I61-L122 HydrophobicContact CG2-CD1 3.89Å; I61-L122 HydrophobicContact CG2-CD2 3.69Å; I61-L122 HydrophobicContact CG2-CG 4.47Å; N62-L122 WeakPolarHBondContact OD1-CD2 3.36Å; I108-L122 HydrophobicContact CD1-CD1 3.71Å; Y118-L122 WeakPolarHBondContact O-CB 3.43Å; Y118-L122 VanDerWaalsContact O-CG 3.24Å; Y118-L122 WeakPolarHBondContact O-CG 3.37Å; Y118-L122 PolarHBondContact O-N 3.4Å; H119-L122 PolarHBondContact O-N 2.9Å; L122-P124 VanDerWaalsContact C-N 3.29Å; L122-P124 VanDerWaalsContact O-N 3.11Å; L122-L125 WeakPolarHBondContact O-CB 3.16Å; L122-L125 PolarHBondContact O-N 2.91Å; L122-Y126 VanDerWaalsContact C-CE1 3.47Å; L122-Y126 HydrophobicContact CB-CD1 4.37Å; L122-Y126 HydrophobicContact CB-CE1 3.58Å; L122-Y126 WeakPolarHBondContact O-CD1 3.29Å; L122-Y126 WeakPolarHBondContact O-CE1 3.19Å; L122-L136 HydrophobicContact CD1-CD2 4.44Å; L122-I138 HydrophobicContact CD1-CD1 4.49Å
123N84.5Confident82.9Confident56 Ų5667.1 Ų67.130%0.29935%0.345SS..Hα-helixtrans-47.8-41.6-174.4-176.761.4000114.2H119 L125 Y126 T127H119-N123 WeakPolarHBondContact O-CA 3.4Å; H119-N123 WeakPolarHBondContact O-CB 3.25Å; H119-N123 PolarHBondContact O-N 3.06Å; N123-L125 PolarHBondContact O-N 3.48Å; N123-Y126 HydrophobicContact CB-CE2 4.42Å; N123-Y126 PolarHBondContact O-N 2.55Å; N123-T127 PolarHBondContact ND2-OG1 2.92Å; N123-T127 WeakPolarHBondContact O-CB 3.32Å; N123-T127 PolarHBondContact O-N 2.93Å; N123-T127 PolarHBondContact O-OG1 3.42Å; N123-T127 PolarHBondContact OD1-OG1 3.36Å; N123-T127 VanDerWaalsContact OD1-OG1 3.06Å
124P83.3Confident82.5Confident94 Ų9469.7 Ų69.761%0.6136%0.362SS*.Hα-helixtrans-54.5-25.2176.2-27.236.9000114.9L121 L122L121-P124 WeakPolarHBondContact O-CD 3.29Å; L122-P124 VanDerWaalsContact C-N 3.29Å; L122-P124 VanDerWaalsContact O-N 3.11Å
125L78.7Confident82.3Confident46 Ų4669.6 Ų69.624%0.24136%0.359CS..Hα-helixtrans-79-34.7-179.7-61.2-175.8000114N62 L65 Q66 L122 N123N62-L125 HydrophobicContact CB-CD1 4.02Å; N62-L125 WeakPolarHBondContact OD1-CD1 3.43Å; L65-L125 HydrophobicContact CB-CD1 4.42Å; L65-L125 HydrophobicContact CD1-CD1 4.2Å; Q66-L125 HydrophobicContact CG-CD2 4.06Å; L122-L125 WeakPolarHBondContact O-CB 3.16Å; L122-L125 PolarHBondContact O-N 2.91Å; N123-L125 PolarHBondContact O-N 3.48Å
126Y77.1Confident82.2Confident4 Ų465.6 Ų65.62%0.01635%0.345CS..Hα-helixtrans-119.7-0.6-172.160-104.3000114.4H119 L122 N123 N128 N129 K133 L136H119-Y126 AromaticContact CD2-CZ 3.97Å; H119-Y126 PolarHBondContact CD2-OH 2.92Å; H119-Y126 VanDerWaalsContact CG-OH 3.27Å; H119-Y126 AromaticContact NE2-CE2 3.93Å; H119-Y126 PolarHBondContact NE2-OH 2.92Å; H119-Y126 PolarHBondContact O-OH 2.86Å; L122-Y126 VanDerWaalsContact C-CE1 3.47Å; L122-Y126 HydrophobicContact CB-CD1 4.37Å; L122-Y126 HydrophobicContact CB-CE1 3.58Å; L122-Y126 WeakPolarHBondContact O-CD1 3.29Å; L122-Y126 WeakPolarHBondContact O-CE1 3.19Å; N123-Y126 HydrophobicContact CB-CE2 4.42Å; N123-Y126 PolarHBondContact O-N 2.55Å; Y126-N128 PolarHBondContact O-N 2.84Å; Y126-N128 VanDerWaalsContact O-N 3.1Å; Y126-N129 CarbonylContact O-C 3.58Å; Y126-N129 PolarHBondContact O-N 2.91Å; Y126-K133 HydrophobicContact CD2-CB 4.04Å; Y126-K133 HydrophobicContact CD2-CD 4.33Å; Y126-K133 HydrophobicContact CD2-CG 3.95Å; Y126-K133 HydrophobicContact CE2-CG 4.44Å; Y126-K133 HydrophobicContact CG-CB 4.42Å; Y126-L136 HydrophobicContact CD1-CD2 3.7Å; Y126-L136 HydrophobicContact CE1-CD2 3.38Å
127T78.4Confident82.4Confident75 Ų7565 Ų6546%0.4634%0.344SS..THydrogen-bonded Turntrans-51.3-39.8177.9-60.90000111.3N123N123-T127 PolarHBondContact ND2-OG1 2.92Å; N123-T127 WeakPolarHBondContact O-CB 3.32Å; N123-T127 PolarHBondContact O-N 2.93Å; N123-T127 PolarHBondContact O-OG1 3.42Å; N123-T127 PolarHBondContact OD1-OG1 3.36Å; N123-T127 VanDerWaalsContact OD1-OG1 3.06Å
128N77Confident82.5Confident158 Ų15863.8 Ų63.885%0.84534%0.338SS*.THydrogen-bonded Turntrans-104.74.1-178.2-60.5-27.9000113.6Y126Y126-N128 PolarHBondContact O-N 2.84Å; Y126-N128 VanDerWaalsContact O-N 3.1Å
129N78.2Confident82.8Confident60 Ų6064.8 Ų64.832%0.32134%0.343SS..  trans-120.988.6-179.1-170.8-25.6000109.5Y126 T131 L132 K133Y126-N129 CarbonylContact O-C 3.58Å; Y126-N129 PolarHBondContact O-N 2.91Å; N129-T131 PolarHBondContact O-N 3.34Å; N129-T131 PolarHBondContact OD1-N 3.41Å; N129-L132 HydrophobicContact CB-CB 3.91Å; N129-L132 VanDerWaalsContact CG-CB 3.48Å; N129-L132 PolarHBondContact O-N 2.84Å; N129-L132 PolarHBondContact OD1-N 2.84Å; N129-K133 WeakPolarHBondContact O-CB 3.39Å; N129-K133 PolarHBondContact O-N 3.26Å
130I77.2Confident83Confident125 Ų12563.2 Ų63.264%0.64134%0.337SS*.Hα-helixtrans-58.4-39.4-177.8-62.4170.8000110.9K133 N134I130-K133 WeakPolarHBondContact O-CB 3.48Å; I130-K133 PolarHBondContact O-N 3.3Å; I130-N134 WeakPolarHBondContact O-CB 3.36Å; I130-N134 PolarHBondContact O-N 3.42Å; I130-N134 PolarHBondContact O-ND2 3.39Å; I130-N134 PolarHBondContact O-OD1 2.98Å
131T74.8Confident83.1Confident90 Ų9056.4 Ų56.455%0.55231%0.307SS*.Hα-helixtrans-61.9-47.9178.1-52.40000111.3N129 K133 N134 N135N129-T131 PolarHBondContact O-N 3.34Å; N129-T131 PolarHBondContact OD1-N 3.41Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 3.42Å; T131-N134 PolarHBondContact O-N 3.28Å; T131-N135 WeakPolarHBondContact O-CB 3.22Å; T131-N135 VanDerWaalsContact O-CG 3.27Å; T131-N135 PolarHBondContact O-N 3.23Å; T131-N135 VanDerWaalsContact O-N 3.09Å; T131-N135 PolarHBondContact O-ND2 2.61Å
132L76.8Confident83Confident8 Ų856.4 Ų56.44%0.04231%0.308CS..Hα-helixtrans-63.3-41177.3-171.561.2000111.5L65 T69 N129 N134 N135 L136L65-L132 HydrophobicContact CB-CD1 4.47Å; L65-L132 HydrophobicContact CB-CD2 4.43Å; L65-L132 HydrophobicContact CD2-CD1 3.75Å; T69-L132 HydrophobicContact CG2-CD1 3.65Å; T69-L132 HydrophobicContact CG2-CD2 4.46Å; N129-L132 HydrophobicContact CB-CB 3.91Å; N129-L132 VanDerWaalsContact CG-CB 3.48Å; N129-L132 PolarHBondContact O-N 2.84Å; N129-L132 PolarHBondContact OD1-N 2.84Å; L132-N134 VanDerWaalsContact C-N 3.34Å; L132-N134 PolarHBondContact O-N 3.45Å; L132-N135 PolarHBondContact O-N 2.98Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 PolarHBondContact O-N 2.89Å
133K79Confident82.8Confident116 Ų11659.5 Ų59.550%0.50433%0.327SS..Hα-helixtrans-59.9-43.4176.2-174.7178.9178.7179.50111.7Y126 N129 I130 T131 N135 L136Y126-K133 HydrophobicContact CD2-CB 4.04Å; Y126-K133 HydrophobicContact CD2-CD 4.33Å; Y126-K133 HydrophobicContact CD2-CG 3.95Å; Y126-K133 HydrophobicContact CE2-CG 4.44Å; Y126-K133 HydrophobicContact CG-CB 4.42Å; N129-K133 WeakPolarHBondContact O-CB 3.39Å; N129-K133 PolarHBondContact O-N 3.26Å; I130-K133 WeakPolarHBondContact O-CB 3.48Å; I130-K133 PolarHBondContact O-N 3.3Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 3.42Å; K133-N135 VanDerWaalsContact C-N 3.27Å; K133-N135 PolarHBondContact O-N 2.88Å; K133-L136 PolarHBondContact O-N 3.05Å
134N78.3Confident82.8Confident118 Ų11858.8 Ų58.863%0.63132%0.322SS*.Hα-helixtrans-71.7-22.4179.9-69.7-10.8000113.1I130 T131 L132I130-N134 WeakPolarHBondContact O-CB 3.36Å; I130-N134 PolarHBondContact O-N 3.42Å; I130-N134 PolarHBondContact O-ND2 3.39Å; I130-N134 PolarHBondContact O-OD1 2.98Å; T131-N134 PolarHBondContact O-N 3.28Å; L132-N134 VanDerWaalsContact C-N 3.34Å; L132-N134 PolarHBondContact O-N 3.45Å
135N83.6Confident82.9Confident38 Ų3855.4 Ų55.420%0.20330%0.299CS..THydrogen-bonded Turntrans-95.52.8178.9-68-13000113.4T104 K105 C106 T131 L132 K133T104-N135 WeakPolarHBondContact O-CB 3.43Å; T104-N135 PolarHBondContact O-ND2 2.89Å; K105-N135 WeakPolarHBondContact CA-O 3.44Å; K105-N135 HydrophobicContact CG-CB 4.25Å; C106-N135 PolarHBondContact N-O 3.36Å; T131-N135 WeakPolarHBondContact O-CB 3.22Å; T131-N135 VanDerWaalsContact O-CG 3.27Å; T131-N135 PolarHBondContact O-N 3.23Å; T131-N135 VanDerWaalsContact O-N 3.09Å; T131-N135 PolarHBondContact O-ND2 2.61Å; L132-N135 PolarHBondContact O-N 2.98Å; K133-N135 VanDerWaalsContact C-N 3.27Å; K133-N135 PolarHBondContact O-N 2.88Å
136L88.1Confident83Confident22 Ų2259 Ų5912%0.11531%0.314CS..EExtended strand (participates in β ladder)trans-104.2114.3177.4178.464.8000110C106 I108 L122 Y126 L132 K133 I138C106-L136 HydrophobicContact CB-CD1 3.71Å; C106-L136 WeakPolarHBondContact O-CA 3.34Å; I108-L136 HydrophobicContact CD1-CD1 3.65Å; I108-L136 HydrophobicContact CG1-CD1 4.15Å; L122-L136 HydrophobicContact CD1-CD2 4.44Å; Y126-L136 HydrophobicContact CD1-CD2 3.7Å; Y126-L136 HydrophobicContact CE1-CD2 3.38Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 PolarHBondContact O-N 2.89Å; K133-L136 PolarHBondContact O-N 3.05Å; L136-I138 HydrophobicContact CD1-CG1 4.33Å; L136-I138 HydrophobicContact CD2-CD1 4.13Å; L136-I138 HydrophobicContact CD2-CG1 4.35Å; L136-I138 HydrophobicContact CG-CD1 4.38Å; L136-I138 HydrophobicContact CG-CG1 4.04Å
137T90.8Very high83.2Confident59 Ų5963.3 Ų63.336%0.36234%0.338SS..EExtended strand (participates in β ladder)trans-108.1119.7174.4-57.20000109.2C106 L107 I108 I139C106-T137 PolarHBondContact O-N 2.94Å; L107-T137 CarbonylContact C-O 3.47Å; L107-T137 WeakPolarHBondContact CA-O 3.4Å; L107-T137 HydrophobicContact CD1-CG2 3.67Å; I108-T137 PolarHBondContact N-O 3.46Å; T137-I139 HydrophobicContact CG2-CD1 4.44Å; T137-I139 HydrophobicContact CG2-CG1 4.12Å
138I90.9Very high83.5Confident39 Ų3961.5 Ų61.520%0.233%0.325CS..EExtended strand (participates in β ladder)trans-113.5121.6175.6-49.1-176.4000108.2I108 C110 W115 H119 L122 L136I108-I138 HydrophobicContact CB-CG2 4.41Å; I108-I138 HydrophobicContact CD1-CG1 4.21Å; C110-I138 WeakPolarHBondContact SG-CG2 3.36Å; W115-I138 HydrophobicContact CB-CG2 3.77Å; H119-I138 HydrophobicContact CB-CD1 4.5Å; L122-I138 HydrophobicContact CD1-CD1 4.49Å; L136-I138 HydrophobicContact CD1-CG1 4.33Å; L136-I138 HydrophobicContact CD2-CD1 4.13Å; L136-I138 HydrophobicContact CD2-CG1 4.35Å; L136-I138 HydrophobicContact CG-CD1 4.38Å; L136-I138 HydrophobicContact CG-CG1 4.04Å
139I92.5Very high83.6Confident21 Ų2157.6 Ų57.611%0.10830%0.304CS..EExtended strand (participates in β ladder)trans-110.3120179.4-60-179.1000108.2L107 I108 F109 C110 T137 M141 Y178 K182L107-I139 HydrophobicContact CD1-CD1 3.83Å; L107-I139 HydrophobicContact CD1-CG1 4.27Å; I108-I139 PolarHBondContact O-N 3.27Å; F109-I139 HydrophobicContact CD1-CB 3.98Å; F109-I139 HydrophobicContact CD1-CD1 4.11Å; F109-I139 HydrophobicContact CD1-CG2 4.12Å; F109-I139 HydrophobicContact CE1-CB 4.29Å; F109-I139 HydrophobicContact CE1-CD1 3.52Å; F109-I139 HydrophobicContact CE1-CG1 4.41Å; F109-I139 HydrophobicContact CE1-CG2 4.36Å; F109-I139 HydrophobicContact CZ-CD1 4.07Å; C110-I139 PolarHBondContact N-O 3.33Å; T137-I139 HydrophobicContact CG2-CD1 4.44Å; T137-I139 HydrophobicContact CG2-CG1 4.12Å; I139-M141 HydrophobicContact CG2-SD 3.63Å; I139-M141 PolarHBondContact O-N 3.04Å; I139-Y178 HydrophobicContact CG2-CE1 4.03Å; I139-K182 HydrophobicContact CD1-CB 4.23Å; I139-K182 HydrophobicContact CD1-CD 4.49Å; I139-K182 HydrophobicContact CD1-CG 4.16Å
140D91.7Very high83.6Confident25 Ų2559.3 Ų59.313%0.13432%0.316CS..EExtended strand (participates in β ladder)trans-83.1106.7174.9-159.9-33.6000110.4S114 W115 T142 V143S114-D140 WeakPolarHBondContact CA-OD2 3.46Å; S114-D140 VanDerWaalsContact CB-OD2 3.29Å; S114-D140 WeakPolarHBondContact CB-OD2 3.42Å; W115-D140 HydrophobicContact CB-CB 4Å; W115-D140 VanDerWaalsContact CD1-OD2 3.22Å; W115-D140 HydrophobicContact CG-CB 4.32Å; W115-D140 PolarHBondContact N-OD2 3.46Å; D140-T142 WeakPolarHBondContact OD1-CB 3.33Å; D140-T142 PolarHBondContact OD1-N 3.44Å; D140-T142 PolarHBondContact OD1-OG1 2.93Å; D140-V143 HydrophobicContact CB-CG2 4.4Å; D140-V143 PolarHBondContact OD1-N 2.94Å
141M90.9Very high83.3Confident0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-80.2-22.1177.7-56.2-56.4-56.700111.6F109 C110 F111 I139 M144 L145 I175 Y178 I179F109-M141 HydrophobicContact CB-CG 4.24Å; F109-M141 HydrophobicContact CD1-CG 4.43Å; F109-M141 HydrophobicContact CD1-SD 3.78Å; C110-M141 WeakPolarHBondContact O-CA 3.23Å; C110-M141 VanDerWaalsContact O-CB 3.22Å; C110-M141 WeakPolarHBondContact O-CB 3.47Å; C110-M141 PolarHBondContact O-N 2.78Å; F111-M141 HydrophobicContact CD1-CB 3.82Å; F111-M141 HydrophobicContact CD1-CG 4.31Å; F111-M141 HydrophobicContact CD2-CB 4.23Å; F111-M141 HydrophobicContact CD2-CG 3.92Å; F111-M141 HydrophobicContact CE1-CB 3.95Å; F111-M141 HydrophobicContact CE1-CE 4.47Å; F111-M141 HydrophobicContact CE1-CG 4.19Å; F111-M141 HydrophobicContact CE2-CB 4.37Å; F111-M141 HydrophobicContact CE2-CG 3.8Å; F111-M141 HydrophobicContact CG-CB 4.01Å; F111-M141 HydrophobicContact CG-CG 4.21Å; F111-M141 HydrophobicContact CZ-CB 4.25Å; F111-M141 HydrophobicContact CZ-CE 4.22Å; F111-M141 HydrophobicContact CZ-CG 3.97Å; I139-M141 HydrophobicContact CG2-SD 3.63Å; I139-M141 PolarHBondContact O-N 3.04Å; M141-M144 HydrophobicContact CE-SD 3.81Å; M141-M144 PolarHBondContact O-N 3.41Å; M141-L145 WeakPolarHBondContact O-CB 3.49Å; M141-L145 VanDerWaalsContact O-CG 3.23Å; M141-L145 WeakPolarHBondContact O-CG 3.46Å; M141-L145 PolarHBondContact O-N 3.21Å; M141-I175 HydrophobicContact CE-CD1 3.93Å; M141-I175 HydrophobicContact CE-CG2 3.46Å; M141-I175 VanDerWaalsContact CE-CG2 3.46Å; M141-Y178 HydrophobicContact CE-CD1 4.29Å; M141-Y178 HydrophobicContact SD-CE1 4.45Å; M141-I179 HydrophobicContact CE-CD1 4.02Å; M141-I179 HydrophobicContact CE-CG1 3.98Å; M141-I179 HydrophobicContact SD-CG1 4.35Å
142T85.4Confident82.9Confident30 Ų3055.8 Ų55.818%0.18430%0.297CS..Hα-helixtrans-64-46.3-178.7670000111F111 D140 M144 L145 E146F111-T142 WeakPolarHBondContact O-CG2 3.36Å; D140-T142 WeakPolarHBondContact OD1-CB 3.33Å; D140-T142 PolarHBondContact OD1-N 3.44Å; D140-T142 PolarHBondContact OD1-OG1 2.93Å; T142-M144 VanDerWaalsContact C-N 3.33Å; T142-M144 PolarHBondContact O-N 3.32Å; T142-L145 PolarHBondContact O-N 3.35Å; T142-E146 WeakPolarHBondContact O-CB 3.41Å; T142-E146 WeakPolarHBondContact O-CG 3.46Å; T142-E146 PolarHBondContact O-N 2.99Å
143V81.7Confident82.2Confident66 Ų6660.7 Ų60.740%0.432%0.324SS..Hα-helixtrans-64-39.1176.5178.30000111.5D140 N147D140-V143 HydrophobicContact CB-CG2 4.4Å; D140-V143 PolarHBondContact OD1-N 2.94Å; V143-N147 WeakPolarHBondContact O-CB 3.38Å; V143-N147 VanDerWaalsContact O-CG 3.23Å; V143-N147 PolarHBondContact O-N 3.39Å; V143-N147 PolarHBondContact O-ND2 3.3Å; V143-N147 VanDerWaalsContact O-ND2 3.12Å
144M84.3Confident81.2Confident41 Ų4158.1 Ų58.120%0.20232%0.32CS..Hα-helixtrans-65-44.4177.7-172.4177.8-178.900111.4M141 T142 N147 L148 I175 Y178M141-M144 HydrophobicContact CE-SD 3.81Å; M141-M144 PolarHBondContact O-N 3.41Å; T142-M144 VanDerWaalsContact C-N 3.33Å; T142-M144 PolarHBondContact O-N 3.32Å; M144-N147 PolarHBondContact O-N 3.27Å; M144-L148 HydrophobicContact CE-CD1 4.39Å; M144-L148 HydrophobicContact CG-CD1 4.31Å; M144-L148 WeakPolarHBondContact O-CG 3.34Å; M144-L148 PolarHBondContact O-N 3.44Å; M144-I175 HydrophobicContact CB-CD1 4.49Å; M144-I175 HydrophobicContact CE-CD1 3.8Å; M144-I175 HydrophobicContact CG-CD1 3.79Å; M144-I175 HydrophobicContact SD-CD1 3.61Å; M144-Y178 HydrophobicContact CE-CD1 3.97Å; M144-Y178 HydrophobicContact CE-CD2 3.87Å; M144-Y178 HydrophobicContact CE-CE1 4.49Å; M144-Y178 HydrophobicContact CE-CE2 4.39Å; M144-Y178 HydrophobicContact CE-CG 3.63Å; M144-Y178 HydrophobicContact SD-CD1 3.68Å; M144-Y178 HydrophobicContact SD-CD2 4.45Å; M144-Y178 HydrophobicContact SD-CE1 3.86Å; M144-Y178 HydrophobicContact SD-CG 4Å
145L84.8Confident79.9Confident23 Ų2354.9 Ų54.912%0.1230%0.303CS..Hα-helixtrans-64.3-45.2177.3-72.5171.1000111.8F111 M141 T142 N147 L148 L149 I171 I175 L217F111-L145 HydrophobicContact CD1-CD1 4.03Å; F111-L145 HydrophobicContact CE1-CD1 4.25Å; M141-L145 WeakPolarHBondContact O-CB 3.49Å; M141-L145 VanDerWaalsContact O-CG 3.23Å; M141-L145 WeakPolarHBondContact O-CG 3.46Å; M141-L145 PolarHBondContact O-N 3.21Å; T142-L145 PolarHBondContact O-N 3.35Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.03Å; L145-L148 PolarHBondContact O-N 2.76Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.25Å; L145-L149 PolarHBondContact O-N 2.82Å; L145-I171 HydrophobicContact CD2-CG2 4.22Å; L145-I175 HydrophobicContact CD2-CD1 3.8Å; L145-I175 HydrophobicContact CD2-CG1 3.71Å; L145-I175 HydrophobicContact CG-CD1 4.33Å; L145-L217 HydrophobicContact CD1-CD1 4.34Å; L145-L217 HydrophobicContact CD2-CD1 3.4Å; L145-L217 HydrophobicContact CD2-CD2 4.39Å
146E82.5Confident78.3Confident120 Ų12057.7 Ų57.756%0.56133%0.325SS*.Hα-helixtrans-55.8-47.9175.3-76.4175.3-178.600111.2T142 L148 L149 V150T142-E146 WeakPolarHBondContact O-CB 3.41Å; T142-E146 WeakPolarHBondContact O-CG 3.46Å; T142-E146 PolarHBondContact O-N 2.99Å; E146-L148 PolarHBondContact O-N 3.14Å; E146-L149 PolarHBondContact O-N 3.39Å; E146-V150 WeakPolarHBondContact O-CB 3.49Å; E146-V150 VanDerWaalsContact O-CG2 3.26Å; E146-V150 WeakPolarHBondContact O-CG2 3.38Å; E146-V150 PolarHBondContact O-N 3.14Å
147N81.2Confident76.3Confident96 Ų9665.4 Ų65.451%0.51336%0.361SS..Hα-helixtrans-62.2-43.4179-72-29.3000112.5V143 M144 L145 M151V143-N147 WeakPolarHBondContact O-CB 3.38Å; V143-N147 VanDerWaalsContact O-CG 3.23Å; V143-N147 PolarHBondContact O-N 3.39Å; V143-N147 PolarHBondContact O-ND2 3.3Å; V143-N147 VanDerWaalsContact O-ND2 3.12Å; M144-N147 PolarHBondContact O-N 3.27Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.03Å; N147-M151 WeakPolarHBondContact O-CG 3.35Å; N147-M151 PolarHBondContact O-N 2.89Å
148L83.4Confident74Confident36 Ų3666.1 Ų66.119%0.18836%0.362CS..Hα-helixtrans-66.9-39.7178.4-71.1173.2000112.2M144 L145 E146 M151 S152 I171 I174 I175M144-L148 HydrophobicContact CE-CD1 4.39Å; M144-L148 HydrophobicContact CG-CD1 4.31Å; M144-L148 WeakPolarHBondContact O-CG 3.34Å; M144-L148 PolarHBondContact O-N 3.44Å; L145-L148 PolarHBondContact O-N 2.76Å; E146-L148 PolarHBondContact O-N 3.14Å; L148-M151 PolarHBondContact O-N 3.03Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-S152 PolarHBondContact O-OG 3.42Å; L148-I171 HydrophobicContact CB-CG2 4.32Å; L148-I171 HydrophobicContact CD1-CG2 4.15Å; L148-I174 HydrophobicContact CD1-CG2 4.22Å; L148-I175 HydrophobicContact CD1-CD1 3.54Å; L148-I175 HydrophobicContact CD1-CG1 4.02Å
149L79.5Confident71.9Confident77 Ų7770.9 Ų70.940%0.40339%0.388SS..Hα-helixtrans-67.5-40.3177.9-72.2169.3000111.9L145 E146 S152 N153 I171L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.25Å; L145-L149 PolarHBondContact O-N 2.82Å; E146-L149 PolarHBondContact O-N 3.39Å; L149-S152 WeakPolarHBondContact CA-OG 3.32Å; L149-S152 PolarHBondContact O-N 2.83Å; L149-S152 PolarHBondContact O-OG 2.92Å; L149-N153 WeakPolarHBondContact O-CB 3.48Å; L149-N153 VanDerWaalsContact O-CG 3.28Å; L149-N153 PolarHBondContact O-N 3.29Å; L149-N153 PolarHBondContact O-ND2 3.16Å; L149-I171 HydrophobicContact CD2-CD1 3.71Å; L149-I171 HydrophobicContact CG-CD1 4.42Å
150V78.6Confident69.9Low96 Ų9675.8 Ų75.858%0.58241%0.414SS*.Hα-helixtrans-62.6-46.2174.2171.60000110.3E146 S152 N153 S154E146-V150 WeakPolarHBondContact O-CB 3.49Å; E146-V150 VanDerWaalsContact O-CG2 3.26Å; E146-V150 WeakPolarHBondContact O-CG2 3.38Å; E146-V150 PolarHBondContact O-N 3.14Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 2.9Å; V150-N153 PolarHBondContact O-N 2.76Å; V150-S154 PolarHBondContact O-N 3.13Å; V150-S154 PolarHBondContact O-OG 3.04Å
151M71.8Confident67.9Low91 Ų9181.3 Ų81.345%0.44844%0.444SS..Hα-helixtrans-59.8-41.8176.1-75.6177.27000112N147 L148 N153 S154 N155 M166N147-M151 WeakPolarHBondContact O-CG 3.35Å; N147-M151 PolarHBondContact O-N 2.89Å; L148-M151 PolarHBondContact O-N 3.03Å; M151-N153 VanDerWaalsContact C-N 3.32Å; M151-N153 PolarHBondContact O-N 3.43Å; M151-S154 WeakPolarHBondContact CA-OG 3.35Å; M151-S154 PolarHBondContact O-OG 3.17Å; M151-N155 WeakPolarHBondContact O-CB 3.48Å; M151-N155 PolarHBondContact O-N 3.36Å; M151-N155 PolarHBondContact O-ND2 3.38Å; M151-N155 VanDerWaalsContact O-ND2 3.11Å; M151-N155 PolarHBondContact O-OD1 3.25Å; M151-M166 HydrophobicContact CE-CE 3.85Å
152S66.2Low65.7Low49 Ų4986.4 Ų86.434%0.34347%0.471SS..Hα-helixtrans-64.7-35.9177.156.90000112.9L148 L149 V150 N155L148-S152 PolarHBondContact O-N 2.92Å; L148-S152 PolarHBondContact O-OG 3.42Å; L149-S152 WeakPolarHBondContact CA-OG 3.32Å; L149-S152 PolarHBondContact O-N 2.83Å; L149-S152 PolarHBondContact O-OG 2.92Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 2.9Å; S152-N155 PolarHBondContact O-N 2.82Å
153N61.8Low63.9Low112 Ų11290.6 Ų90.660%0.59949%0.487SS*.Hα-helixtrans-77.2-35.7-179.4-71.2-20.9000112.7L149 V150 M151 N155 S156L149-N153 WeakPolarHBondContact O-CB 3.48Å; L149-N153 VanDerWaalsContact O-CG 3.28Å; L149-N153 PolarHBondContact O-N 3.29Å; L149-N153 PolarHBondContact O-ND2 3.16Å; V150-N153 PolarHBondContact O-N 2.76Å; M151-N153 VanDerWaalsContact C-N 3.32Å; M151-N153 PolarHBondContact O-N 3.43Å; N153-N155 PolarHBondContact O-N 2.94Å; N153-S156 PolarHBondContact O-N 3.01Å; N153-S156 PolarHBondContact O-OG 3.47Å
154S56.9Low62Low62 Ų6292.6 Ų92.643%0.43450%0.504SS..Hα-helixtrans-65.2-24.9172.451.30000112.3V150 M151V150-S154 PolarHBondContact O-N 3.13Å; V150-S154 PolarHBondContact O-OG 3.04Å; M151-S154 WeakPolarHBondContact CA-OG 3.35Å; M151-S154 PolarHBondContact O-OG 3.17Å
155N50.6Low60.1Low50 Ų5098 Ų9827%0.26753%0.533SS..G310 helixtrans-83.3-10.1-177.5-64.9-8.7000114M151 S152 N153 E157 L158M151-N155 WeakPolarHBondContact O-CB 3.48Å; M151-N155 PolarHBondContact O-N 3.36Å; M151-N155 PolarHBondContact O-ND2 3.38Å; M151-N155 VanDerWaalsContact O-ND2 3.11Å; M151-N155 PolarHBondContact O-OD1 3.25Å; S152-N155 PolarHBondContact O-N 2.82Å; N153-N155 PolarHBondContact O-N 2.94Å; N155-E157 PolarHBondContact O-N 3.15Å; N155-L158 WeakPolarHBondContact OD1-CD1 3.42Å
156S50.3Low58.2Low96 Ų96101.9 Ų101.967%0.67155%0.552SS**G310 helixtrans-72.2-17.9171.761.30000113.4N153N153-S156 PolarHBondContact O-N 3.01Å; N153-S156 PolarHBondContact O-OG 3.47Å
157E46Very low56.8Low184 Ų184101.1 Ų101.186%0.8656%0.555SS**G310 helixtrans-99.9-2.6177.8-64.6-169.3163.400113.8N155N155-E157 PolarHBondContact O-N 3.15Å
158L42.5Very low55.6Low75 Ų75105.2 Ų105.239%0.39358%0.577SS.*SBendtrans-86.2131.6-179.1-79.5163.7000111.9N155N155-L158 WeakPolarHBondContact OD1-CD1 3.42Å
159N46.5Very low55.1Low138 Ų138106.8 Ų106.874%0.73858%0.583SS**  trans-51.7144.2176.5-95.2-28.8000111.2N161 D162N159-N161 PolarHBondContact O-N 3.21Å; N159-D162 PolarHBondContact O-N 3.49Å; N159-D162 VanDerWaalsContact O-N 3.1Å
160N52.4Low55.3Low124 Ų124106.8 Ų106.866%0.66358%0.584SS**THydrogen-bonded Turntrans-51.2-11.6-171.9-75.3-26.3000116.8K163N160-K163 PolarHBondContact OD1-NZ 3.24Å
161N48Very low55.6Low141 Ų141103.6 Ų103.675%0.75456%0.563SS**THydrogen-bonded Turntrans-83.3-23.5-179.1-65.8-10.7000113.5N159N159-N161 PolarHBondContact O-N 3.21Å
162D46.3Very low56.4Low108 Ų10899.2 Ų99.258%0.57854%0.542SS*.G310 helixtrans-92.6-5.5179.9-67.2-30.2000113.3N159 S164N159-D162 PolarHBondContact O-N 3.49Å; N159-D162 VanDerWaalsContact O-N 3.1Å; D162-S164 PolarHBondContact O-N 2.89Å
163K46.4Very low57.4Low118 Ų11898.3 Ų98.351%0.51353%0.534SS..G310 helixtrans-68-15175.2-74.8-179.6179.4167.30113.6N160 L165N160-K163 PolarHBondContact OD1-NZ 3.24Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3.3Å
164S42.3Very low58.7Low107 Ų10795.5 Ų95.575%0.74852%0.518SS*.G310 helixtrans-78-7.4-171.568.70000115.4D162D162-S164 PolarHBondContact O-N 2.89Å
165L43.9Very low60.3Low154 Ų15492.5 Ų92.581%0.80650%0.498SS*.G310 helixtrans-102.6-1.3-177.4-141.884.9000114.7K163K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3.3Å
166M44.8Very low62.2Low106 Ų10691.6 Ų91.652%0.52249%0.491SS..SBendtrans-109120.9175.7-69-69.3163.300107.7M151M151-M166 HydrophobicContact CE-CE 3.85Å
167T53.7Low64.1Low103 Ų10389.5 Ų89.563%0.63247%0.473SS*.  trans-54142.8174.441.90000109E169T167-E169 PolarHBondContact O-N 2.84Å
168D56.2Low66.2Low182 Ų18284.1 Ų84.197%0.97345%0.445SS*.SBendtrans-60.516.2170.9-73.2-37.4000113.1N170D168-N170 PolarHBondContact O-N 2.85Å
169E71.9Confident68.6Low69 Ų6980.6 Ų80.632%0.32243%0.426SS..  trans-80.2117.2-175.1-167.8168.6-160.300109.3T167 T173 I174 N177T167-E169 PolarHBondContact O-N 2.84Å; E169-T173 HydrophobicContact CG-CG2 3.81Å; E169-T173 WeakPolarHBondContact OE1-CG2 3.23Å; E169-I174 HydrophobicContact CB-CG1 4.29Å; E169-I174 HydrophobicContact CG-CG1 3.95Å; E169-N177 PolarHBondContact OE1-ND2 3.41Å
170N83.3Confident70.7Confident77 Ų7777.7 Ų77.741%0.41241%0.407SS..  trans-54.7142.2173.2177.17.9000110.5D168 G172 T173 I174 L217D168-N170 PolarHBondContact O-N 2.85Å; N170-G172 PolarHBondContact O-N 3.26Å; N170-G172 VanDerWaalsContact O-N 3.11Å; N170-G172 PolarHBondContact OD1-N 2.73Å; N170-T173 WeakPolarHBondContact O-CA 3.38Å; N170-T173 WeakPolarHBondContact O-CB 3.4Å; N170-T173 PolarHBondContact O-N 3.13Å; N170-I174 PolarHBondContact O-N 2.81Å; N170-I174 VanDerWaalsContact O-N 3.14Å; N170-L217 PolarHBondContact ND2-O 2.86Å; N170-L217 PolarHBondContact OD1-O 2.97Å
171I86.5Confident72.4Confident29 Ų2977.9 Ų77.915%0.14940%0.404CS..Hα-helixtrans-44.2-43.4173.4-62.5175.6000111.4L145 L148 L149 T173 I174 I175 L217L145-I171 HydrophobicContact CD2-CG2 4.22Å; L148-I171 HydrophobicContact CB-CG2 4.32Å; L148-I171 HydrophobicContact CD1-CG2 4.15Å; L149-I171 HydrophobicContact CD2-CD1 3.71Å; L149-I171 HydrophobicContact CG-CD1 4.42Å; I171-T173 VanDerWaalsContact C-N 3.3Å; I171-T173 PolarHBondContact O-N 2.9Å; I171-I174 PolarHBondContact O-N 3.27Å; I171-I175 HydrophobicContact CG2-CG1 4.26Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.32Å; I171-I175 PolarHBondContact O-N 2.82Å; I171-L217 HydrophobicContact CG2-CD2 4.23Å
172G87.1Confident74.5Confident0 Ų074.4 Ų74.40%038%0.382CS..Hα-helixtrans-56.7-42.3177.200000113.2N170 I175 K176 V219N170-G172 PolarHBondContact O-N 3.26Å; N170-G172 VanDerWaalsContact O-N 3.11Å; N170-G172 PolarHBondContact OD1-N 2.73Å; G172-I175 PolarHBondContact O-N 3.02Å; G172-K176 VanDerWaalsContact O-CB 3.27Å; G172-K176 WeakPolarHBondContact O-CB 3.43Å; G172-K176 PolarHBondContact O-N 2.97Å; G172-V219 VanDerWaalsContact C-CG2 3.41Å; G172-V219 WeakPolarHBondContact O-CG2 3.36Å
173T87.6Confident76.6Confident29 Ų2969.3 Ų69.318%0.17836%0.355CS..Hα-helixtrans-70.6-40.7179.1-45.90000111.5E169 N170 I171 I175 K176 N177E169-T173 HydrophobicContact CG-CG2 3.81Å; E169-T173 WeakPolarHBondContact OE1-CG2 3.23Å; N170-T173 WeakPolarHBondContact O-CA 3.38Å; N170-T173 WeakPolarHBondContact O-CB 3.4Å; N170-T173 PolarHBondContact O-N 3.13Å; I171-T173 VanDerWaalsContact C-N 3.3Å; I171-T173 PolarHBondContact O-N 2.9Å; T173-I175 VanDerWaalsContact C-N 3.34Å; T173-I175 PolarHBondContact O-N 3.48Å; T173-K176 PolarHBondContact O-N 3.17Å; T173-N177 WeakPolarHBondContact O-CB 3.36Å; T173-N177 PolarHBondContact O-N 3.32Å; T173-N177 PolarHBondContact O-ND2 3.33Å
174I88.7Confident78.4Confident53 Ų5365.1 Ų65.127%0.27234%0.338SS..Hα-helixtrans-56.3-50.2174.1-61.9175.5000110L148 E169 N170 I171 N177 Y178L148-I174 HydrophobicContact CD1-CG2 4.22Å; E169-I174 HydrophobicContact CB-CG1 4.29Å; E169-I174 HydrophobicContact CG-CG1 3.95Å; N170-I174 PolarHBondContact O-N 2.81Å; N170-I174 VanDerWaalsContact O-N 3.14Å; I171-I174 PolarHBondContact O-N 3.27Å; I174-N177 PolarHBondContact O-N 3.39Å; I174-Y178 WeakPolarHBondContact O-CB 2.86Å; I174-Y178 PolarHBondContact O-N 2.91Å
175I90.5Very high80.5Confident0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-64.6-46.5-179.8-64.6-69.8000111.1F111 M141 M144 L145 L148 I171 G172 T173 N177 Y178 I179 L214F111-I175 HydrophobicContact CE1-CG2 4.14Å; F111-I175 HydrophobicContact CZ-CG2 4.02Å; M141-I175 HydrophobicContact CE-CD1 3.93Å; M141-I175 HydrophobicContact CE-CG2 3.46Å; M141-I175 VanDerWaalsContact CE-CG2 3.46Å; M144-I175 HydrophobicContact CB-CD1 4.49Å; M144-I175 HydrophobicContact CE-CD1 3.8Å; M144-I175 HydrophobicContact CG-CD1 3.79Å; M144-I175 HydrophobicContact SD-CD1 3.61Å; L145-I175 HydrophobicContact CD2-CD1 3.8Å; L145-I175 HydrophobicContact CD2-CG1 3.71Å; L145-I175 HydrophobicContact CG-CD1 4.33Å; L148-I175 HydrophobicContact CD1-CD1 3.54Å; L148-I175 HydrophobicContact CD1-CG1 4.02Å; I171-I175 HydrophobicContact CG2-CG1 4.26Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.32Å; I171-I175 PolarHBondContact O-N 2.82Å; G172-I175 PolarHBondContact O-N 3.02Å; T173-I175 VanDerWaalsContact C-N 3.34Å; T173-I175 PolarHBondContact O-N 3.48Å; I175-N177 VanDerWaalsContact C-N 3.32Å; I175-N177 PolarHBondContact O-N 2.9Å; I175-Y178 WeakPolarHBondContact O-CB 3.26Å; I175-Y178 PolarHBondContact O-N 3.49Å; I175-I179 HydrophobicContact CG2-CD1 3.77Å; I175-I179 HydrophobicContact CG2-CG1 4.34Å; I175-I179 VanDerWaalsContact O-CG1 3.31Å; I175-I179 WeakPolarHBondContact O-CG1 3.4Å; I175-I179 PolarHBondContact O-N 2.85Å; I175-L214 HydrophobicContact CB-CD2 4.1Å; I175-L214 HydrophobicContact CG2-CD2 3.49Å; I175-L214 VanDerWaalsContact CG2-CD2 3.49Å
176K91.2Very high82.6Confident30 Ų3058.3 Ų58.313%0.1329%0.29CS..Hα-helixtrans-55.4-47.6177.1176.7-157.866.5177.70111.1G172 T173 I179 K180 V219 E223G172-K176 VanDerWaalsContact O-CB 3.27Å; G172-K176 WeakPolarHBondContact O-CB 3.43Å; G172-K176 PolarHBondContact O-N 2.97Å; T173-K176 PolarHBondContact O-N 3.17Å; K176-I179 PolarHBondContact O-N 3.11Å; K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 3.14Å; K176-V219 HydrophobicContact CB-CG2 4.21Å; K176-V219 HydrophobicContact CD-CG1 3.98Å; K176-V219 HydrophobicContact CG-CG1 4.44Å; K176-E223 HydrophobicContact CD-CB 4.06Å; K176-E223 IonicContact NZ-OE1 2.93Å; K176-E223 PolarHBondContact NZ-OE1 2.67Å
177N89.9Confident84.4Confident53 Ų5353.4 Ų53.428%0.28327%0.266SS..Hα-helixtrans-64.4-42.4179.6-68.1-13.5000111.1E169 T173 I174 I175 I179 K180 E181E169-N177 PolarHBondContact OE1-ND2 3.41Å; T173-N177 WeakPolarHBondContact O-CB 3.36Å; T173-N177 PolarHBondContact O-N 3.32Å; T173-N177 PolarHBondContact O-ND2 3.33Å; I174-N177 PolarHBondContact O-N 3.39Å; I175-N177 VanDerWaalsContact C-N 3.32Å; I175-N177 PolarHBondContact O-N 2.9Å; N177-I179 PolarHBondContact O-N 3.28Å; N177-K180 WeakPolarHBondContact O-CB 3.24Å; N177-K180 PolarHBondContact O-N 3.43Å; N177-E181 WeakPolarHBondContact O-CG 3.33Å; N177-E181 PolarHBondContact O-N 2.78Å
178Y91.4Very high85.7Confident71 Ų7155 Ų5528%0.27826%0.264SS..Hα-helixtrans-58.3-47175.4177.3-96.2000112.7I139 M141 M144 I174 I175 K180 E181 K182I139-Y178 HydrophobicContact CG2-CE1 4.03Å; M141-Y178 HydrophobicContact CE-CD1 4.29Å; M141-Y178 HydrophobicContact SD-CE1 4.45Å; M144-Y178 HydrophobicContact CE-CD1 3.97Å; M144-Y178 HydrophobicContact CE-CD2 3.87Å; M144-Y178 HydrophobicContact CE-CE1 4.49Å; M144-Y178 HydrophobicContact CE-CE2 4.39Å; M144-Y178 HydrophobicContact CE-CG 3.63Å; M144-Y178 HydrophobicContact SD-CD1 3.68Å; M144-Y178 HydrophobicContact SD-CD2 4.45Å; M144-Y178 HydrophobicContact SD-CE1 3.86Å; M144-Y178 HydrophobicContact SD-CG 4Å; I174-Y178 WeakPolarHBondContact O-CB 2.86Å; I174-Y178 PolarHBondContact O-N 2.91Å; I175-Y178 WeakPolarHBondContact O-CB 3.26Å; I175-Y178 PolarHBondContact O-N 3.49Å; Y178-K180 VanDerWaalsContact C-N 3.28Å; Y178-K180 PolarHBondContact O-N 2.96Å; Y178-E181 PolarHBondContact O-N 3.45Å; Y178-K182 HydrophobicContact CD1-CG 4.38Å; Y178-K182 HydrophobicContact CD2-CG 4.49Å; Y178-K182 HydrophobicContact CE1-CG 3.95Å; Y178-K182 HydrophobicContact CE2-CG 4.09Å; Y178-K182 WeakPolarHBondContact O-CB 3.35Å; Y178-K182 WeakPolarHBondContact O-CG 3.25Å; Y178-K182 PolarHBondContact O-N 3.34Å
179I91.6Very high86.6Confident0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-65.8-36.3178.5-59.7167.6000110.4F109 F111 M141 I175 K176 N177 T183 L214 F227 W231F109-I179 HydrophobicContact CD1-CB 4.43Å; F109-I179 HydrophobicContact CD1-CG1 3.9Å; F109-I179 HydrophobicContact CD1-CG2 3.95Å; F109-I179 HydrophobicContact CD2-CG2 3.88Å; F109-I179 HydrophobicContact CE1-CB 4.03Å; F109-I179 HydrophobicContact CE1-CG1 3.86Å; F109-I179 HydrophobicContact CE1-CG2 3.66Å; F109-I179 HydrophobicContact CE2-CG2 3.58Å; F109-I179 HydrophobicContact CG-CG2 4.04Å; F109-I179 HydrophobicContact CZ-CB 4.19Å; F109-I179 HydrophobicContact CZ-CG2 3.47Å; F109-I179 VanDerWaalsContact CZ-CG2 3.47Å; F111-I179 HydrophobicContact CE2-CD1 3.74Å; F111-I179 HydrophobicContact CZ-CD1 3.46Å; F111-I179 VanDerWaalsContact CZ-CD1 3.46Å; M141-I179 HydrophobicContact CE-CD1 4.02Å; M141-I179 HydrophobicContact CE-CG1 3.98Å; M141-I179 HydrophobicContact SD-CG1 4.35Å; I175-I179 HydrophobicContact CG2-CD1 3.77Å; I175-I179 HydrophobicContact CG2-CG1 4.34Å; I175-I179 VanDerWaalsContact O-CG1 3.31Å; I175-I179 WeakPolarHBondContact O-CG1 3.4Å; I175-I179 PolarHBondContact O-N 2.85Å; K176-I179 PolarHBondContact O-N 3.11Å; N177-I179 PolarHBondContact O-N 3.28Å; I179-T183 WeakPolarHBondContact O-CB 3.43Å; I179-T183 PolarHBondContact O-N 3.26Å; I179-T183 PolarHBondContact O-OG1 3.41Å; I179-L214 HydrophobicContact CD1-CD1 4.27Å; I179-L214 HydrophobicContact CD1-CD2 4.43Å; I179-F227 HydrophobicContact CB-CE2 4.47Å; I179-F227 HydrophobicContact CB-CZ 3.71Å; I179-F227 HydrophobicContact CG2-CE1 4.07Å; I179-F227 HydrophobicContact CG2-CE2 4.39Å; I179-F227 HydrophobicContact CG2-CZ 3.4Å; I179-W231 HydrophobicContact CG2-CH2 4.32Å; I179-W231 HydrophobicContact CG2-CZ2 4.03Å
180K90.6Very high86.7Confident77 Ų7748.3 Ų48.334%0.33523%0.23SC..Hα-helixtrans-61.1-53.5174.2-162.6-158.8178.5-48.20111.1K176 N177 Y178 K182 T183 D184 F227K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 3.14Å; N177-K180 WeakPolarHBondContact O-CB 3.24Å; N177-K180 PolarHBondContact O-N 3.43Å; Y178-K180 VanDerWaalsContact C-N 3.28Å; Y178-K180 PolarHBondContact O-N 2.96Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-K182 PolarHBondContact O-N 3.43Å; K180-T183 PolarHBondContact O-N 2.85Å; K180-D184 IonicContact NZ-OD1 3.95Å; K180-D184 PolarHBondContact NZ-OD1 3.04Å; K180-D184 IonicContact NZ-OD2 2.7Å; K180-D184 PolarHBondContact NZ-OD2 3.37Å; K180-D184 WeakPolarHBondContact O-CB 3.36Å; K180-D184 VanDerWaalsContact O-CG 3.26Å; K180-D184 PolarHBondContact O-N 3.16Å; K180-F227 HydrophobicContact CB-CD2 4.4Å; K180-F227 HydrophobicContact CB-CE2 3.77Å; K180-F227 HydrophobicContact CG-CD2 4.46Å; K180-F227 HydrophobicContact CG-CE2 4.21Å
181E89.3Confident85.9Confident128 Ų12846.5 Ų46.560%0.59822%0.218SC*.Hα-helixtrans-58.7-44.4-179.9-74174.6-176.600111.4N177 Y178 D184 E185N177-E181 WeakPolarHBondContact O-CG 3.33Å; N177-E181 PolarHBondContact O-N 2.78Å; Y178-E181 PolarHBondContact O-N 3.45Å; E181-D184 PolarHBondContact O-N 2.86Å; E181-E185 VanDerWaalsContact O-CB 3.29Å; E181-E185 WeakPolarHBondContact O-CB 3.47Å; E181-E185 PolarHBondContact O-N 3.07Å
182K91.1Very high84.6Confident69 Ų6946.5 Ų46.530%0.322%0.22SC..Hα-helixtrans-66.6-39178.2-73.6-64.2171.1-160.80113.3F109 I139 Y178 K180 E185 F186F109-K182 HydrophobicContact CE1-CB 4.25Å; F109-K182 HydrophobicContact CZ-CB 3.98Å; I139-K182 HydrophobicContact CD1-CB 4.23Å; I139-K182 HydrophobicContact CD1-CD 4.49Å; I139-K182 HydrophobicContact CD1-CG 4.16Å; Y178-K182 HydrophobicContact CD1-CG 4.38Å; Y178-K182 HydrophobicContact CD2-CG 4.49Å; Y178-K182 HydrophobicContact CE1-CG 3.95Å; Y178-K182 HydrophobicContact CE2-CG 4.09Å; Y178-K182 WeakPolarHBondContact O-CB 3.35Å; Y178-K182 WeakPolarHBondContact O-CG 3.25Å; Y178-K182 PolarHBondContact O-N 3.34Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-K182 PolarHBondContact O-N 3.43Å; K182-E185 IonicContact NZ-OE2 2.8Å; K182-E185 PolarHBondContact NZ-OE2 2.72Å; K182-F186 WeakPolarHBondContact O-CB 3.13Å; K182-F186 PolarHBondContact O-N 2.97Å
183T89.8Confident83Confident0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-66.9-43.1174-57.80000111.3I179 K180 F186 L187 I206 W231I179-T183 WeakPolarHBondContact O-CB 3.43Å; I179-T183 PolarHBondContact O-N 3.26Å; I179-T183 PolarHBondContact O-OG1 3.41Å; K180-T183 PolarHBondContact O-N 2.85Å; T183-F186 PolarHBondContact O-N 2.95Å; T183-L187 HydrophobicContact CG2-CD1 3.88Å; T183-L187 HydrophobicContact CG2-CG 4.28Å; T183-L187 WeakPolarHBondContact O-CB 3.17Å; T183-L187 VanDerWaalsContact O-CG 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.44Å; T183-L187 PolarHBondContact O-N 3.27Å; T183-I206 HydrophobicContact CG2-CD1 3.57Å; T183-I206 HydrophobicContact CG2-CG1 4.41Å; T183-W231 HydrophobicContact CG2-CG 4.28Å; T183-W231 VanDerWaalsContact CG2-NE1 3.32Å
184D86Confident81.4Confident31 Ų3154.8 Ų54.817%0.16627%0.267CS..Hα-helixtrans-63.4-43.9177.6-71.5-12.8000111.5K180 E181 F186 L187 K188K180-D184 IonicContact NZ-OD1 3.95Å; K180-D184 PolarHBondContact NZ-OD1 3.04Å; K180-D184 IonicContact NZ-OD2 2.7Å; K180-D184 PolarHBondContact NZ-OD2 3.37Å; K180-D184 WeakPolarHBondContact O-CB 3.36Å; K180-D184 VanDerWaalsContact O-CG 3.26Å; K180-D184 PolarHBondContact O-N 3.16Å; E181-D184 PolarHBondContact O-N 2.86Å; D184-F186 VanDerWaalsContact C-N 3.34Å; D184-L187 PolarHBondContact O-N 3.04Å; D184-K188 VanDerWaalsContact O-CB 3.31Å; D184-K188 WeakPolarHBondContact O-CB 3.43Å; D184-K188 WeakPolarHBondContact O-CG 3.31Å; D184-K188 PolarHBondContact O-N 2.93Å
185E86.1Confident79.6Confident94 Ų9456.7 Ų56.744%0.43928%0.284SS..Hα-helixtrans-58.6-46.7174.1-174.5-171.5166.400110.7E181 K182 K188 N189E181-E185 VanDerWaalsContact O-CB 3.29Å; E181-E185 WeakPolarHBondContact O-CB 3.47Å; E181-E185 PolarHBondContact O-N 3.07Å; K182-E185 IonicContact NZ-OE2 2.8Å; K182-E185 PolarHBondContact NZ-OE2 2.72Å; E185-K188 PolarHBondContact O-N 3Å; E185-N189 VanDerWaalsContact O-CG 3.26Å; E185-N189 PolarHBondContact O-N 3.13Å; E185-N189 PolarHBondContact O-ND2 3.18Å
186F86.6Confident77.7Confident24 Ų2461.1 Ų61.111%0.10532%0.315CS..Hα-helixtrans-64.4-42-179.9-178.1-107.8000113.1K105 L107 K182 T183 D184 S190 V204K105-F186 HydrophobicContact CB-CE2 4.11Å; K105-F186 HydrophobicContact CB-CZ 3.64Å; L107-F186 HydrophobicContact CB-CD1 3.79Å; L107-F186 HydrophobicContact CB-CD2 4.27Å; L107-F186 HydrophobicContact CB-CE1 3.59Å; L107-F186 HydrophobicContact CB-CE2 4.12Å; L107-F186 HydrophobicContact CB-CG 4.11Å; L107-F186 HydrophobicContact CB-CZ 3.77Å; L107-F186 HydrophobicContact CD2-CB 3.93Å; L107-F186 HydrophobicContact CD2-CD1 3.95Å; L107-F186 HydrophobicContact CD2-CG 3.93Å; K182-F186 WeakPolarHBondContact O-CB 3.13Å; K182-F186 PolarHBondContact O-N 2.97Å; T183-F186 PolarHBondContact O-N 2.95Å; D184-F186 VanDerWaalsContact C-N 3.34Å; F186-S190 PolarHBondContact O-OG 3.42Å; F186-V204 HydrophobicContact CD1-CG1 4.18Å; F186-V204 HydrophobicContact CE1-CG1 3.55Å; F186-V204 HydrophobicContact CZ-CG1 4.45Å
187L83.5Confident75.7Confident2 Ų265.1 Ų65.11%0.0134%0.337CS..Hα-helixtrans-67.9-42.4175.4-71.2172.5000111.3T183 D184 N189 S190 Y191 V204 I206 I244 L247T183-L187 HydrophobicContact CG2-CD1 3.88Å; T183-L187 HydrophobicContact CG2-CG 4.28Å; T183-L187 WeakPolarHBondContact O-CB 3.17Å; T183-L187 VanDerWaalsContact O-CG 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.44Å; T183-L187 PolarHBondContact O-N 3.27Å; D184-L187 PolarHBondContact O-N 3.04Å; L187-N189 VanDerWaalsContact C-N 3.31Å; L187-N189 PolarHBondContact O-N 2.62Å; L187-S190 CarbonylContact O-C 3.5Å; L187-S190 WeakPolarHBondContact O-CA 3.35Å; L187-S190 WeakPolarHBondContact O-CB 3.3Å; L187-S190 PolarHBondContact O-N 3.44Å; L187-Y191 HydrophobicContact CB-CE2 4.25Å; L187-Y191 WeakPolarHBondContact O-CD2 3.45Å; L187-Y191 WeakPolarHBondContact O-CE2 3.32Å; L187-Y191 PolarHBondContact O-N 2.86Å; L187-V204 HydrophobicContact CD2-CG1 4.04Å; L187-I206 HydrophobicContact CD1-CD1 4.43Å; L187-I206 HydrophobicContact CD2-CD1 4.3Å; L187-I244 HydrophobicContact CD2-CD1 3.83Å; L187-L247 HydrophobicContact CD2-CD1 4.41Å
188K80.4Confident73.8Confident138 Ų13865.1 Ų65.160%0.635%0.35SS*.Hα-helixtrans-58.2-41176.5-78.8173.5-177.2177.60113.1D184 E185 S190 Y191D184-K188 VanDerWaalsContact O-CB 3.31Å; D184-K188 WeakPolarHBondContact O-CB 3.43Å; D184-K188 WeakPolarHBondContact O-CG 3.31Å; D184-K188 PolarHBondContact O-N 2.93Å; E185-K188 PolarHBondContact O-N 3Å; K188-S190 PolarHBondContact O-N 2.79Å; K188-Y191 HydrophobicContact CG-CD2 4.47Å; K188-Y191 PolarHBondContact O-N 2.97Å
189N76.4Confident72.2Confident109 Ų10966.3 Ų66.358%0.58336%0.359SS*.THydrogen-bonded Turntrans-67.1-4.9175.6-68.6-20.6000113.7K105 E185 L187K105-N189 PolarHBondContact NZ-O 3.21Å; E185-N189 VanDerWaalsContact O-CG 3.26Å; E185-N189 PolarHBondContact O-N 3.13Å; E185-N189 PolarHBondContact O-ND2 3.18Å; L187-N189 VanDerWaalsContact C-N 3.31Å; L187-N189 PolarHBondContact O-N 2.62Å
190S72.7Confident70.7Confident0 Ų071.3 Ų71.30%038%0.382CS..THydrogen-bonded Turntrans-109.15.7175.1-51.40000112.4K105 F186 L187 K188 H202 N243K105-S190 WeakPolarHBondContact CD-OG 3.41Å; K105-S190 PolarHBondContact NZ-OG 3.46Å; K105-S190 VanDerWaalsContact NZ-OG 3.1Å; F186-S190 PolarHBondContact O-OG 3.42Å; L187-S190 CarbonylContact O-C 3.5Å; L187-S190 WeakPolarHBondContact O-CA 3.35Å; L187-S190 WeakPolarHBondContact O-CB 3.3Å; L187-S190 PolarHBondContact O-N 3.44Å; K188-S190 PolarHBondContact O-N 2.79Å; S190-H202 PolarHBondContact O-CD2 3.35Å; S190-H202 VanDerWaalsContact O-CD2 3.26Å; S190-N243 WeakPolarHBondContact O-CB 3.48Å
191Y66.2Low69.7Low40 Ų4070.8 Ų70.816%0.15738%0.381CS..EExtended strand (participates in β ladder)trans-100.8148.4169.5-58.4-48.1000110.2L187 K188 H234 T240 I242 I244L187-Y191 HydrophobicContact CB-CE2 4.25Å; L187-Y191 WeakPolarHBondContact O-CD2 3.45Å; L187-Y191 WeakPolarHBondContact O-CE2 3.32Å; L187-Y191 PolarHBondContact O-N 2.86Å; K188-Y191 HydrophobicContact CG-CD2 4.47Å; K188-Y191 PolarHBondContact O-N 2.97Å; Y191-H234 PolarHBondContact OH-CD2 2.93Å; Y191-T240 HydrophobicContact CD2-CG2 4.49Å; Y191-T240 HydrophobicContact CG-CG2 4.1Å; Y191-I242 HydrophobicContact CD1-CB 4.38Å; Y191-I242 HydrophobicContact CD1-CG1 4.32Å; Y191-I242 HydrophobicContact CD1-CG2 4.16Å; Y191-I242 HydrophobicContact CE1-CB 4.32Å; Y191-I242 HydrophobicContact CE1-CG1 4.1Å; Y191-I242 HydrophobicContact CE1-CG2 3.8Å; Y191-I244 HydrophobicContact CD1-CD1 4.38Å; Y191-I244 HydrophobicContact CE1-CD1 3.61Å; Y191-I244 HydrophobicContact CE1-CG1 4.1Å
192T60.8Low69.2Low29 Ų2965.3 Ų65.318%0.17836%0.355CS..EExtended strand (participates in β ladder)trans-117.4140.5168.9-176.20000109.1N194 A241 N243T192-N194 VanDerWaalsContact C-N 3.32Å; T192-N194 PolarHBondContact OG1-N 2.76Å; T192-N194 PolarHBondContact OG1-O 3.27Å; T192-A241 HydrophobicContact CG2-CB 4.27Å; T192-A241 PolarHBondContact N-O 2.9Å; T192-N243 WeakPolarHBondContact CG2-ND2 3.19Å; T192-N243 WeakPolarHBondContact CG2-OD1 3.31Å
193T53.3Low68.9Low129 Ų12962.2 Ų62.279%0.79134%0.342SS*.SBendtrans-90.3-4.2167.651.90000111.9P195T193-P195 WeakPolarHBondContact O-CD 3.47Å
194N52.4Low68.9Low73 Ų7362.2 Ų62.239%0.3934%0.342SS..  trans-117.697.1-174.7-159.30.6000111.2T192 S196T192-N194 VanDerWaalsContact C-N 3.32Å; T192-N194 PolarHBondContact OG1-N 2.76Å; T192-N194 PolarHBondContact OG1-O 3.27Å; N194-S196 VanDerWaalsContact CG-OG 3.26Å; N194-S196 PolarHBondContact ND2-OG 3.28Å; N194-S196 PolarHBondContact O-N 3Å; N194-S196 PolarHBondContact OD1-OG 3.12Å
195P52.2Low69.2Low94 Ų9460.8 Ų60.861%0.6134%0.335SS*.THydrogen-bonded Turntrans-69.2-7.6178.826.2-32.2000113.5T193T193-P195 WeakPolarHBondContact O-CD 3.47Å
196S50.8Low69.6Low93 Ų9356.3 Ų56.365%0.6531%0.314SS*.THydrogen-bonded Turntrans-84.4-15.1-178660000115N194N194-S196 VanDerWaalsContact CG-OG 3.26Å; N194-S196 PolarHBondContact ND2-OG 3.28Å; N194-S196 PolarHBondContact O-N 3Å; N194-S196 PolarHBondContact OD1-OG 3.12Å
197N49.5Very low70Confident113 Ų11355.1 Ų55.160%0.60431%0.309SS*.SBendtrans-86.4116.5167.6-77.1-11.5000107M199N197-M199 PolarHBondContact O-N 3.43Å
198G49.7Very low70.6Confident53 Ų5355 Ų5555%0.54631%0.308SS..  trans-34.1122.2-177.200000112.2Q200G198-Q200 PolarHBondContact O-N 2.88Å
199M56.5Low71.2Confident97 Ų9748.5 Ų48.548%0.47828%0.28SS..  trans-57.594.8-164.4-68.9-145.9-88.500111.6N197 Q201N197-M199 PolarHBondContact O-N 3.43Å; M199-Q201 PolarHBondContact O-N 3.39Å; M199-Q201 VanDerWaalsContact O-N 3.1Å
200Q61.1Low72Confident104 Ų10444.3 Ų44.349%0.48626%0.257SS..  trans-68.3107.4170.4-76.9-172.3-200107.9G198 N243G198-Q200 PolarHBondContact O-N 2.88Å; Q200-N243 VanDerWaalsContact O-CB 3.23Å; Q200-N243 WeakPolarHBondContact O-CB 3.27Å; Q200-N243 VanDerWaalsContact O-CG 3.3Å; Q200-N243 PolarHBondContact O-ND2 2.89Å
201Q70.1Confident72.9Confident66 Ų6644.3 Ų44.331%0.30826%0.257SS..  trans-76.7137.3175.9-76.5-173.70.200110.6S102 T103 M199 N243 T245S102-Q201 CarbonylContact C-O 3.52Å; S102-Q201 WeakPolarHBondContact CA-O 3.47Å; T103-Q201 PolarHBondContact N-O 2.91Å; M199-Q201 PolarHBondContact O-N 3.39Å; M199-Q201 VanDerWaalsContact O-N 3.1Å; Q201-N243 CarbonylContact C-O 3.58Å; Q201-N243 WeakPolarHBondContact CA-O 3.41Å; Q201-T245 VanDerWaalsContact CB-OG1 3.22Å; Q201-T245 WeakPolarHBondContact CB-OG1 3.43Å; Q201-T245 VanDerWaalsContact CD-OG1 3.27Å; Q201-T245 VanDerWaalsContact CG-OG1 3.28Å; Q201-T245 WeakPolarHBondContact CG-OG1 3.28Å; Q201-T245 PolarHBondContact OE1-OG1 3.02Å
202H78.3Confident74.1Confident13 Ų1342.7 Ų42.76%0.0625%0.252CS..EExtended strand (participates in β ladder)trans-113.5129.1-178.9-64.2-61.7000110.2T103 S190 V204 N243 I244 T245T103-H202 CarbonylContact O-C 3.59Å; T103-H202 VanDerWaalsContact O-CA 3.29Å; T103-H202 WeakPolarHBondContact O-CA 3.05Å; T103-H202 PolarHBondContact OG1-CE1 2.69Å; T103-H202 PolarHBondContact OG1-ND1 3.24Å; S190-H202 PolarHBondContact O-CD2 3.35Å; S190-H202 VanDerWaalsContact O-CD2 3.26Å; H202-V204 HydrophobicContact CB-CG2 4.1Å; H202-N243 PolarHBondContact N-O 2.82Å; H202-I244 WeakPolarHBondContact O-CA 3.49Å; H202-T245 PolarHBondContact O-N 3.44Å
203N84.9Confident75.4Confident5 Ų542 Ų423%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-96.7118.1163.9-62.4-50.1000107.4F64 Y68 T103 T104 K105 N246F64-N203 HydrophobicContact CZ-CB 4.36Å; Y68-N203 HydrophobicContact CD1-CB 3.86Å; Y68-N203 WeakPolarHBondContact CD1-ND2 2.99Å; Y68-N203 HydrophobicContact CD2-CB 4.3Å; Y68-N203 HydrophobicContact CE1-CB 4.48Å; Y68-N203 HydrophobicContact CG-CB 3.75Å; T103-N203 PolarHBondContact O-N 2.83Å; T104-N203 CarbonylContact C-O 3.6Å; T104-N203 WeakPolarHBondContact CA-O 3.07Å; K105-N203 PolarHBondContact N-O 2.89Å; N203-N246 PolarHBondContact OD1-ND2 3.03Å
204V88.7Confident77.3Confident0 Ų035.9 Ų35.90%021%0.212CC..EExtended strand (participates in β ladder)trans-113.9129.3-172.1-177.40000110.1K105 F186 L187 H202 I206 I244 N246 L247 L248K105-V204 CarbonylContact O-C 3.55Å; K105-V204 WeakPolarHBondContact O-CA 3.33Å; F186-V204 HydrophobicContact CD1-CG1 4.18Å; F186-V204 HydrophobicContact CE1-CG1 3.55Å; F186-V204 HydrophobicContact CZ-CG1 4.45Å; L187-V204 HydrophobicContact CD2-CG1 4.04Å; H202-V204 HydrophobicContact CB-CG2 4.1Å; V204-I206 HydrophobicContact CG1-CG1 4.5Å; V204-I244 HydrophobicContact CB-CG2 4.29Å; V204-I244 HydrophobicContact CG2-CD1 4.11Å; V204-I244 HydrophobicContact CG2-CG1 4Å; V204-I244 HydrophobicContact CG2-CG2 3.99Å; V204-N246 PolarHBondContact N-O 3.36Å; V204-L247 HydrophobicContact CB-CD1 3.92Å; V204-L247 HydrophobicContact CG1-CD1 3.81Å; V204-L247 CarbonylContact O-C 3.52Å; V204-L247 WeakPolarHBondContact O-CA 3.37Å; V204-L248 PolarHBondContact O-N 3.36Å
205G92.2Very high79.1Confident0 Ų035.1 Ų35.10%020%0.204CC..EExtended strand (participates in β ladder)trans-117.3126.6175.600000110.5K105 C106 L107 L248K105-G205 PolarHBondContact O-N 3.12Å; C106-G205 CarbonylContact C-O 3.57Å; C106-G205 WeakPolarHBondContact CA-O 3.16Å; L107-G205 PolarHBondContact N-O 2.87Å; G205-L248 CarbonylContact C-O 3.6Å; G205-L248 WeakPolarHBondContact CA-O 3.38Å
206I94.4Very high80.8Confident0 Ų036.6 Ų36.60%021%0.206CC..EExtended strand (participates in β ladder)trans-116.9117.8172.6-59.2167.9000107.3T183 L187 V204 V208 L247 L248 V249 C250T183-I206 HydrophobicContact CG2-CD1 3.57Å; T183-I206 HydrophobicContact CG2-CG1 4.41Å; L187-I206 HydrophobicContact CD1-CD1 4.43Å; L187-I206 HydrophobicContact CD2-CD1 4.3Å; V204-I206 HydrophobicContact CG1-CG1 4.5Å; I206-V208 HydrophobicContact CG2-CG2 4.44Å; I206-L247 HydrophobicContact CD1-CD1 3.95Å; I206-L247 HydrophobicContact CG1-CD1 4.29Å; I206-L248 PolarHBondContact N-O 2.98Å; I206-V249 HydrophobicContact CB-CG2 4.49Å; I206-V249 HydrophobicContact CD1-CG2 4.49Å; I206-V249 CarbonylContact O-C 3.47Å; I206-V249 WeakPolarHBondContact O-CA 3.34Å; I206-C250 PolarHBondContact O-N 3.16Å
207F95.6Very high82.6Confident0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-121.4121.4-175.6-64-92.7000109.1F57 C60 I61 F64 C106 L107 I108 F109 L248 C250F57-F207 HydrophobicContact CE1-CB 4.22Å; F57-F207 HydrophobicContact CE2-CB 4.26Å; F57-F207 HydrophobicContact CZ-CB 3.59Å; C60-F207 HydrophobicContact CB-CE1 4.21Å; I61-F207 HydrophobicContact CB-CD1 4.4Å; I61-F207 HydrophobicContact CB-CE1 4.26Å; I61-F207 HydrophobicContact CB-CZ 4.44Å; I61-F207 HydrophobicContact CD1-CB 4.42Å; I61-F207 HydrophobicContact CD1-CD1 4.29Å; I61-F207 HydrophobicContact CD1-CG 4.34Å; I61-F207 HydrophobicContact CG1-CB 4.16Å; I61-F207 HydrophobicContact CG1-CD1 3.31Å; I61-F207 HydrophobicContact CG1-CD2 4.05Å; I61-F207 HydrophobicContact CG1-CE1 3.62Å; I61-F207 HydrophobicContact CG1-CE2 4.28Å; I61-F207 HydrophobicContact CG1-CG 3.58Å; I61-F207 HydrophobicContact CG1-CZ 4.1Å; F64-F207 HydrophobicContact CB-CE2 4.37Å; F64-F207 HydrophobicContact CB-CZ 3.64Å; F64-F207 AromaticContact CD1-CE2 3.95Å; F64-F207 HydrophobicContact CD1-CE2 3.95Å; F64-F207 HydrophobicContact CD1-CZ 4.07Å; F64-F207 HydrophobicContact CD2-CZ 4.48Å; F64-F207 HydrophobicContact CG-CE2 4.14Å; F64-F207 AromaticContact CG-CZ 3.81Å; F64-F207 HydrophobicContact CG-CZ 3.81Å; C106-F207 WeakPolarHBondContact SG-CD2 3.22Å; C106-F207 WeakPolarHBondContact SG-CE2 3.28Å; L107-F207 PolarHBondContact O-N 3.04Å; I108-F207 CarbonylContact C-O 3.48Å; I108-F207 WeakPolarHBondContact CA-O 3.39Å; I108-F207 HydrophobicContact CB-CB 4.46Å; I108-F207 HydrophobicContact CG1-CB 4.18Å; I108-F207 HydrophobicContact CG1-CD2 4.41Å; I108-F207 HydrophobicContact CG2-CB 4.29Å; F109-F207 PolarHBondContact N-O 2.86Å; F207-L248 HydrophobicContact CE1-CD2 4.35Å; F207-L248 HydrophobicContact CZ-CD2 4.09Å; F207-C250 WeakPolarHBondContact CA-O 3.11Å; F207-C250 HydrophobicContact CD1-CB 3.39Å; F207-C250 HydrophobicContact CE1-CB 3.64Å; F207-C250 HydrophobicContact CG-CB 4.31Å
208V95.8Very high84.5Confident0 Ų030.7 Ų30.70%018%0.178CC..EExtended strand (participates in β ladder)trans-120107.9177.3-173.40000108F57 F109 F111 I206 I211 W231 C250 G252F57-V208 WeakPolarHBondContact CE2-O 3.42Å; F57-V208 VanDerWaalsContact CZ-C 3.49Å; F109-V208 HydrophobicContact CB-CG1 4.39Å; F109-V208 HydrophobicContact CD2-CG2 4.08Å; F111-V208 HydrophobicContact CD2-CG1 4.31Å; F111-V208 HydrophobicContact CE2-CG1 4.06Å; I206-V208 HydrophobicContact CG2-CG2 4.44Å; V208-I211 HydrophobicContact CG1-CB 4.06Å; V208-I211 HydrophobicContact CG1-CD1 4.13Å; V208-I211 HydrophobicContact CG1-CG1 4.11Å; V208-W231 HydrophobicContact CG2-CH2 3.59Å; V208-W231 HydrophobicContact CG2-CZ3 3.84Å; V208-C250 PolarHBondContact N-O 2.79Å; V208-G252 PolarHBondContact O-N 2.83Å
209D94Very high86.5Confident0 Ų028.2 Ų28.20%015%0.152CC..SBendtrans-72140.6173.1169.945.9000109.6H53 F57 F109 F111 H112 Y118 I211H53-D209 IonicContact CD2-OD1 2.61Å; H53-D209 PolarHBondContact CD2-OD1 3.1Å; H53-D209 IonicContact NE2-OD1 3.32Å; H53-D209 PolarHBondContact NE2-OD1 3.45Å; H53-D209 VanDerWaalsContact NE2-OD1 3.16Å; F57-D209 HydrophobicContact CD1-CB 4.26Å; F57-D209 HydrophobicContact CE1-CB 3.77Å; F57-D209 HydrophobicContact CE2-CB 4.33Å; F57-D209 HydrophobicContact CZ-CB 3.79Å; F109-D209 WeakPolarHBondContact O-CB 3.32Å; F109-D209 PolarHBondContact O-N 2.82Å; F111-D209 WeakPolarHBondContact CB-O 3.41Å; F111-D209 WeakPolarHBondContact CD2-O 3.36Å; F111-D209 PolarHBondContact N-OD2 2.99Å; F111-D209 VanDerWaalsContact N-OD2 3.13Å; H112-D209 WeakPolarHBondContact CA-OD2 3.35Å; H112-D209 WeakPolarHBondContact CB-OD2 3.24Å; H112-D209 PolarHBondContact N-OD2 2.83Å; Y118-D209 PolarHBondContact OH-OD1 2.81Å; Y118-D209 PolarHBondContact OH-OD2 2.84Å; D209-I211 PolarHBondContact O-N 2.77Å
210N92.1Very high88.2Confident22 Ų2227 Ų2712%0.11815%0.15CC..  trans35.463.3173.6-164.132000117.7F111 H112 S212 A213 G252 H254F111-N210 HydrophobicContact CB-CB 4.25Å; H112-N210 HydrophobicContact CB-CB 4.02Å; N210-S212 PolarHBondContact O-N 2.83Å; N210-S212 VanDerWaalsContact O-N 3.11Å; N210-S212 PolarHBondContact OD1-OG 3.48Å; N210-A213 WeakPolarHBondContact O-CB 3.44Å; N210-A213 PolarHBondContact O-N 2.72Å; N210-G252 CarbonylContact C-O 3.58Å; N210-G252 VanDerWaalsContact CA-O 3.29Å; N210-G252 WeakPolarHBondContact CA-O 3.28Å; N210-G252 PolarHBondContact N-O 2.88Å; N210-H254 WeakPolarHBondContact OD1-CA 3.45Å; N210-H254 WeakPolarHBondContact OD1-CB 3.47Å; N210-H254 PolarHBondContact OD1-N 3.42Å
211I92.8Very high89.7Confident0 Ų023.3 Ų23.30%013%0.133CC..THydrogen-bonded Turntrans-65.9-13.4-178-159166.4000114.1V208 D209 A213 L214 L224 F227 I251 G252 L253 W278V208-I211 HydrophobicContact CG1-CB 4.06Å; V208-I211 HydrophobicContact CG1-CD1 4.13Å; V208-I211 HydrophobicContact CG1-CG1 4.11Å; D209-I211 PolarHBondContact O-N 2.77Å; I211-A213 PolarHBondContact O-N 3.27Å; I211-L214 HydrophobicContact CD1-CD1 4.4Å; I211-L214 HydrophobicContact CG1-CD1 3.85Å; I211-L214 HydrophobicContact CG1-CG 4.35Å; I211-L214 WeakPolarHBondContact O-CB 3.43Å; I211-L214 PolarHBondContact O-N 2.89Å; I211-L224 HydrophobicContact CD1-CD2 4.4Å; I211-L224 HydrophobicContact CG1-CD2 4.28Å; I211-F227 HydrophobicContact CD1-CD1 4.31Å; I211-F227 HydrophobicContact CD1-CE1 4.35Å; I211-I251 HydrophobicContact CB-CG2 4.03Å; I211-I251 HydrophobicContact CD1-CD1 4.44Å; I211-I251 HydrophobicContact CD1-CG2 4.31Å; I211-I251 HydrophobicContact CG2-CG2 3.44Å; I211-I251 VanDerWaalsContact CG2-CG2 3.44Å; I211-G252 PolarHBondContact N-O 2.78Å; I211-L253 HydrophobicContact CG2-CD1 3.48Å; I211-L253 VanDerWaalsContact CG2-CD1 3.48Å; I211-W278 HydrophobicContact CD1-CH2 4.04Å; I211-W278 HydrophobicContact CG2-CH2 3.7Å; I211-W278 HydrophobicContact CG2-CZ3 3.55Å
212S90.1Very high90.7Very high6 Ų629.1 Ų29.14%0.04215%0.152CC..Hα-helixtrans-61-23.1173.735.40000111.8N210 L214 Y215 D216 H254N210-S212 PolarHBondContact O-N 2.83Å; N210-S212 VanDerWaalsContact O-N 3.11Å; N210-S212 PolarHBondContact OD1-OG 3.48Å; S212-L214 PolarHBondContact O-N 3.26Å; S212-Y215 WeakPolarHBondContact O-CA 3.5Å; S212-Y215 VanDerWaalsContact O-CB 3.29Å; S212-Y215 WeakPolarHBondContact O-CB 3.48Å; S212-Y215 PolarHBondContact O-N 3.13Å; S212-D216 PolarHBondContact O-N 3.41Å; S212-H254 PolarHBondContact OG-O 2.9Å
213A89.9Confident91.4Very high15 Ų1530.5 Ų30.512%0.12416%0.159CC..Hα-helixtrans-55.3-33.8170.600000112.7F111 N210 I211 L217F111-A213 HydrophobicContact CB-CB 4.2Å; F111-A213 HydrophobicContact CD1-CB 3.6Å; F111-A213 HydrophobicContact CE1-CB 4.18Å; F111-A213 HydrophobicContact CG-CB 4.14Å; N210-A213 WeakPolarHBondContact O-CB 3.44Å; N210-A213 PolarHBondContact O-N 2.72Å; I211-A213 PolarHBondContact O-N 3.27Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 WeakPolarHBondContact O-CD1 3.45Å; A213-L217 WeakPolarHBondContact O-CG 3.45Å; A213-L217 PolarHBondContact O-N 2.81Å; A213-L217 VanDerWaalsContact O-N 3.08Å
214L91.8Very high91.8Very high0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-68.9-38.3174.2-67.4-176.2000112.3F111 I175 I179 I211 S212 D216 L217 G218 V219 L224F111-L214 HydrophobicContact CE1-CD2 3.9Å; F111-L214 HydrophobicContact CE1-CG 4.27Å; F111-L214 HydrophobicContact CZ-CD1 4.4Å; F111-L214 HydrophobicContact CZ-CD2 3.69Å; F111-L214 HydrophobicContact CZ-CG 3.87Å; I175-L214 HydrophobicContact CB-CD2 4.1Å; I175-L214 HydrophobicContact CG2-CD2 3.49Å; I175-L214 VanDerWaalsContact CG2-CD2 3.49Å; I179-L214 HydrophobicContact CD1-CD1 4.27Å; I179-L214 HydrophobicContact CD1-CD2 4.43Å; I211-L214 HydrophobicContact CD1-CD1 4.4Å; I211-L214 HydrophobicContact CG1-CD1 3.85Å; I211-L214 HydrophobicContact CG1-CG 4.35Å; I211-L214 WeakPolarHBondContact O-CB 3.43Å; I211-L214 PolarHBondContact O-N 2.89Å; S212-L214 PolarHBondContact O-N 3.26Å; L214-D216 VanDerWaalsContact C-N 3.35Å; L214-L217 CarbonylContact O-C 3.52Å; L214-L217 PolarHBondContact O-N 2.78Å; L214-G218 PolarHBondContact O-N 3.03Å; L214-V219 HydrophobicContact CB-CB 4.11Å; L214-V219 HydrophobicContact CB-CG2 3.98Å; L214-V219 HydrophobicContact CD2-CG2 4.45Å; L214-V219 VanDerWaalsContact O-CB 3.22Å; L214-V219 WeakPolarHBondContact O-CB 3.43Å; L214-V219 VanDerWaalsContact O-CG2 3.31Å; L214-V219 WeakPolarHBondContact O-CG2 3.29Å; L214-V219 PolarHBondContact O-N 3.4Å; L214-L224 HydrophobicContact CB-CD2 3.86Å; L214-L224 HydrophobicContact CD1-CD2 3.89Å
215Y90.6Very high92Very high57 Ų5731.4 Ų31.422%0.22416%0.163CC..Hα-helixtrans-63.1-44.3175.6-179.8-109.8000110.8S212 L217 G218 I221 L271S212-Y215 WeakPolarHBondContact O-CA 3.5Å; S212-Y215 VanDerWaalsContact O-CB 3.29Å; S212-Y215 WeakPolarHBondContact O-CB 3.48Å; S212-Y215 PolarHBondContact O-N 3.13Å; Y215-L217 PolarHBondContact O-N 3.32Å; Y215-G218 WeakPolarHBondContact O-CA 3.24Å; Y215-G218 PolarHBondContact O-N 3.18Å; Y215-I221 HydrophobicContact CD2-CD1 3.53Å; Y215-I221 HydrophobicContact CD2-CG1 4.25Å; Y215-I221 HydrophobicContact CE2-CD1 3.5Å; Y215-I221 VanDerWaalsContact CE2-CD1 3.5Å; Y215-I221 HydrophobicContact CE2-CG1 3.86Å; Y215-I221 HydrophobicContact CG-CD1 4.4Å; Y215-L271 HydrophobicContact CD1-CD1 4.3Å; Y215-L271 HydrophobicContact CD1-CD2 4.24Å; Y215-L271 HydrophobicContact CE1-CB 4.15Å; Y215-L271 HydrophobicContact CE1-CD2 4.26Å; Y215-L271 HydrophobicContact CG-CD1 4.42Å
216D88.2Confident91.9Very high125 Ų12536.4 Ų36.467%0.66819%0.186SC*.Hα-helixtrans-62.4-31.7176.3-61-22.6000112.2S212 L214 G218S212-D216 PolarHBondContact O-N 3.41Å; L214-D216 VanDerWaalsContact C-N 3.35Å; D216-G218 PolarHBondContact O-N 3.35Å
217L88.9Confident91.6Very high39 Ų3936.9 Ų36.920%0.20419%0.188CC..THydrogen-bonded Turntrans-79.95.9173.3-66.3166.4000113.5L145 N170 I171 A213 L214 Y215L145-L217 HydrophobicContact CD1-CD1 4.34Å; L145-L217 HydrophobicContact CD2-CD1 3.4Å; L145-L217 HydrophobicContact CD2-CD2 4.39Å; N170-L217 PolarHBondContact ND2-O 2.86Å; N170-L217 PolarHBondContact OD1-O 2.97Å; I171-L217 HydrophobicContact CG2-CD2 4.23Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 WeakPolarHBondContact O-CD1 3.45Å; A213-L217 WeakPolarHBondContact O-CG 3.45Å; A213-L217 PolarHBondContact O-N 2.81Å; A213-L217 VanDerWaalsContact O-N 3.08Å; L214-L217 CarbonylContact O-C 3.52Å; L214-L217 PolarHBondContact O-N 2.78Å; Y215-L217 PolarHBondContact O-N 3.32Å
218G89.8Confident91.3Very high43 Ų4336.9 Ų36.944%0.44319%0.188SC..THydrogen-bonded Turntrans87.713.6174.400000115.4L214 Y215 D216 T220L214-G218 PolarHBondContact O-N 3.03Å; Y215-G218 WeakPolarHBondContact O-CA 3.24Å; Y215-G218 PolarHBondContact O-N 3.18Å; D216-G218 PolarHBondContact O-N 3.35Å; G218-T220 PolarHBondContact O-N 3.19Å
219V91.8Very high90.9Very high1 Ų138.3 Ų38.31%0.00620%0.198CC..  trans-70.4126.7168.7-177.50000108.9G172 K176 L214 E223 L224G172-V219 VanDerWaalsContact C-CG2 3.41Å; G172-V219 WeakPolarHBondContact O-CG2 3.36Å; K176-V219 HydrophobicContact CB-CG2 4.21Å; K176-V219 HydrophobicContact CD-CG1 3.98Å; K176-V219 HydrophobicContact CG-CG1 4.44Å; L214-V219 HydrophobicContact CB-CB 4.11Å; L214-V219 HydrophobicContact CB-CG2 3.98Å; L214-V219 HydrophobicContact CD2-CG2 4.45Å; L214-V219 VanDerWaalsContact O-CB 3.22Å; L214-V219 WeakPolarHBondContact O-CB 3.43Å; L214-V219 VanDerWaalsContact O-CG2 3.31Å; L214-V219 WeakPolarHBondContact O-CG2 3.29Å; L214-V219 PolarHBondContact O-N 3.4Å; V219-E223 HydrophobicContact CG1-CB 3.66Å; V219-L224 HydrophobicContact CB-CD2 4.34Å; V219-L224 HydrophobicContact CG1-CD2 3.78Å; V219-L224 HydrophobicContact CG1-CG 3.94Å
220T92.1Very high90.4Very high71 Ų7140 Ų4044%0.43621%0.21SC..  trans-71.4152.9-175.866.40000111.9G218 R222 E223 L224G218-T220 PolarHBondContact O-N 3.19Å; T220-R222 PolarHBondContact O-N 3.11Å; T220-R222 VanDerWaalsContact O-N 3.16Å; T220-E223 WeakPolarHBondContact CB-OE2 3.44Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.49Å; T220-E223 PolarHBondContact N-OE2 3.38Å; T220-E223 WeakPolarHBondContact O-CB 3.15Å; T220-E223 PolarHBondContact O-N 2.75Å; T220-E223 VanDerWaalsContact OG1-CG 3.24Å; T220-E223 WeakPolarHBondContact OG1-CG 3.41Å; T220-E223 PolarHBondContact OG1-N 2.99Å; T220-E223 PolarHBondContact OG1-OE2 3.05Å; T220-L224 PolarHBondContact O-N 3.43Å
221I91.6Very high90.1Very high27 Ų2738.9 Ų38.914%0.13820%0.204CC..Hα-helixtrans-53.4-37.1173.9-63.8-55.2000112.2Y215 L224 E225 A270 L271 L274Y215-I221 HydrophobicContact CD2-CD1 3.53Å; Y215-I221 HydrophobicContact CD2-CG1 4.25Å; Y215-I221 HydrophobicContact CE2-CD1 3.5Å; Y215-I221 VanDerWaalsContact CE2-CD1 3.5Å; Y215-I221 HydrophobicContact CE2-CG1 3.86Å; Y215-I221 HydrophobicContact CG-CD1 4.4Å; I221-L224 PolarHBondContact O-N 3.19Å; I221-E225 WeakPolarHBondContact O-CB 3.45Å; I221-E225 PolarHBondContact O-N 3.36Å; I221-A270 HydrophobicContact CG1-CB 3.8Å; I221-L271 HydrophobicContact CD1-CD1 4.23Å; I221-L274 HydrophobicContact CD1-CB 3.89Å; I221-L274 HydrophobicContact CD1-CD2 3.55Å; I221-L274 HydrophobicContact CD1-CG 4.32Å; I221-L274 HydrophobicContact CG2-CB 3.68Å; I221-L274 HydrophobicContact CG2-CD1 3.93Å; I221-L274 HydrophobicContact CG2-CD2 4.25Å; I221-L274 HydrophobicContact CG2-CG 4.14Å
222R92.2Very high89.6Confident187 Ų18739.4 Ų39.471%0.70621%0.207SC*.Hα-helixtrans-63.6-43.2176.2-179.4176.9179.3163.51.4111.7T220 E225 Q226T220-R222 PolarHBondContact O-N 3.11Å; T220-R222 VanDerWaalsContact O-N 3.16Å; R222-E225 PolarHBondContact O-N 2.88Å; R222-Q226 WeakPolarHBondContact O-CB 3.16Å; R222-Q226 VanDerWaalsContact O-CG 3.26Å; R222-Q226 WeakPolarHBondContact O-CG 3.39Å; R222-Q226 PolarHBondContact O-N 3.43Å
223E92.6Very high88.9Confident43 Ų4345.8 Ų45.820%0.20123%0.231CC..Hα-helixtrans-66.8-42.2177.8-72.1167.7115.400111.4K176 V219 T220 E225 Q226 F227K176-E223 HydrophobicContact CD-CB 4.06Å; K176-E223 IonicContact NZ-OE1 2.93Å; K176-E223 PolarHBondContact NZ-OE1 2.67Å; V219-E223 HydrophobicContact CG1-CB 3.66Å; T220-E223 WeakPolarHBondContact CB-OE2 3.44Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.49Å; T220-E223 PolarHBondContact N-OE2 3.38Å; T220-E223 WeakPolarHBondContact O-CB 3.15Å; T220-E223 PolarHBondContact O-N 2.75Å; T220-E223 VanDerWaalsContact OG1-CG 3.24Å; T220-E223 WeakPolarHBondContact OG1-CG 3.41Å; T220-E223 PolarHBondContact OG1-N 2.99Å; T220-E223 PolarHBondContact OG1-OE2 3.05Å; E223-E225 VanDerWaalsContact C-N 3.31Å; E223-E225 PolarHBondContact O-N 3.42Å; E223-Q226 PolarHBondContact O-N 2.89Å; E223-F227 WeakPolarHBondContact O-CB 3.14Å; E223-F227 PolarHBondContact O-N 2.92Å
224L93.4Very high87.9Confident2 Ų247.4 Ų47.41%0.0124%0.236CC..Hα-helixtrans-61.3-39.7175-65.8177.7000112.3I211 L214 V219 T220 I221 F227 L228 L274 W278I211-L224 HydrophobicContact CD1-CD2 4.4Å; I211-L224 HydrophobicContact CG1-CD2 4.28Å; L214-L224 HydrophobicContact CB-CD2 3.86Å; L214-L224 HydrophobicContact CD1-CD2 3.89Å; V219-L224 HydrophobicContact CB-CD2 4.34Å; V219-L224 HydrophobicContact CG1-CD2 3.78Å; V219-L224 HydrophobicContact CG1-CG 3.94Å; T220-L224 PolarHBondContact O-N 3.43Å; I221-L224 PolarHBondContact O-N 3.19Å; L224-F227 WeakPolarHBondContact O-CB 3.47Å; L224-F227 PolarHBondContact O-N 2.93Å; L224-L228 PolarHBondContact O-N 3.35Å; L224-L274 HydrophobicContact CB-CD2 3.97Å; L224-L274 HydrophobicContact CD1-CD2 3.72Å; L224-W278 HydrophobicContact CB-CH2 4.39Å; L224-W278 HydrophobicContact CB-CZ2 4.07Å
225E92.1Very high86Confident22 Ų2252.6 Ų52.610%0.10327%0.272CS..Hα-helixtrans-68.8-43.8176.4175.661.9178.100112.6I221 R222 E223 F227 L228 C229 L274 L277 W278 R281I221-E225 WeakPolarHBondContact O-CB 3.45Å; I221-E225 PolarHBondContact O-N 3.36Å; R222-E225 PolarHBondContact O-N 2.88Å; E223-E225 VanDerWaalsContact C-N 3.31Å; E223-E225 PolarHBondContact O-N 3.42Å; E225-F227 PolarHBondContact O-N 3.33Å; E225-L228 PolarHBondContact O-N 2.9Å; E225-C229 WeakPolarHBondContact O-CB 3.4Å; E225-C229 PolarHBondContact O-N 2.81Å; E225-C229 PolarHBondContact O-SG 2.74Å; E225-C229 PolarHBondContact OE1-SG 2.84Å; E225-L274 HydrophobicContact CB-CD1 4.23Å; E225-L277 HydrophobicContact CB-CD2 4.46Å; E225-L277 HydrophobicContact CG-CD2 3.73Å; E225-L277 VanDerWaalsContact OE1-CD2 3.29Å; E225-L277 WeakPolarHBondContact OE1-CD2 3.26Å; E225-W278 PolarHBondContact OE2-NE1 2.94Å; E225-R281 IonicContact OE1-CZ 3.69Å; E225-R281 IonicContact OE1-NE 3.67Å; E225-R281 PolarHBondContact OE1-NE 3.07Å; E225-R281 IonicContact OE1-NH2 2.79Å; E225-R281 PolarHBondContact OE1-NH2 2.91Å; E225-R281 IonicContact OE2-NE 3.07Å
226Q90.4Very high84.4Confident104 Ų10453.2 Ų53.249%0.48628%0.277SS..Hα-helixtrans-59.9-38.2174.8-76.2174.6-21.700111.1R222 E223 C229 S230R222-Q226 WeakPolarHBondContact O-CB 3.16Å; R222-Q226 VanDerWaalsContact O-CG 3.26Å; R222-Q226 WeakPolarHBondContact O-CG 3.39Å; R222-Q226 PolarHBondContact O-N 3.43Å; E223-Q226 PolarHBondContact O-N 2.89Å; Q226-C229 PolarHBondContact O-N 3.17Å; Q226-S230 WeakPolarHBondContact O-CB 3.37Å; Q226-S230 PolarHBondContact O-N 3.08Å
227F88Confident82.7Confident10 Ų1051.6 Ų51.64%0.04427%0.268CS..Hα-helixtrans-62.6-52.1177.7-171.8-124.2000112.2I179 K180 I211 E223 L224 E225 C229 S230 W231I179-F227 HydrophobicContact CB-CE2 4.47Å; I179-F227 HydrophobicContact CB-CZ 3.71Å; I179-F227 HydrophobicContact CG2-CE1 4.07Å; I179-F227 HydrophobicContact CG2-CE2 4.39Å; I179-F227 HydrophobicContact CG2-CZ 3.4Å; K180-F227 HydrophobicContact CB-CD2 4.4Å; K180-F227 HydrophobicContact CB-CE2 3.77Å; K180-F227 HydrophobicContact CG-CD2 4.46Å; K180-F227 HydrophobicContact CG-CE2 4.21Å; I211-F227 HydrophobicContact CD1-CD1 4.31Å; I211-F227 HydrophobicContact CD1-CE1 4.35Å; E223-F227 WeakPolarHBondContact O-CB 3.14Å; E223-F227 PolarHBondContact O-N 2.92Å; L224-F227 WeakPolarHBondContact O-CB 3.47Å; L224-F227 PolarHBondContact O-N 2.93Å; E225-F227 PolarHBondContact O-N 3.33Å; F227-C229 PolarHBondContact O-N 3.28Å; F227-S230 PolarHBondContact O-N 3.31Å; F227-S230 PolarHBondContact O-OG 2.66Å; F227-W231 AromaticContact CD1-CH2 3.52Å; F227-W231 HydrophobicContact CD1-CH2 3.52Å; F227-W231 AromaticContact CD1-CZ2 3.72Å; F227-W231 HydrophobicContact CD1-CZ2 3.72Å; F227-W231 AromaticContact CD1-CZ3 3.97Å; F227-W231 HydrophobicContact CD1-CZ3 3.97Å; F227-W231 HydrophobicContact CD2-CZ2 4.11Å; F227-W231 AromaticContact CE1-CH2 2.97Å; F227-W231 HydrophobicContact CE1-CH2 2.97Å; F227-W231 AromaticContact CE1-CZ2 3.12Å; F227-W231 HydrophobicContact CE1-CZ2 3.12Å; F227-W231 AromaticContact CE1-CZ3 3.86Å; F227-W231 HydrophobicContact CE1-CZ3 3.86Å; F227-W231 AromaticContact CE2-CE2 3.98Å; F227-W231 HydrophobicContact CE2-CH2 4.27Å; F227-W231 AromaticContact CE2-CZ2 3.53Å; F227-W231 HydrophobicContact CE2-CZ2 3.53Å; F227-W231 HydrophobicContact CG-CH2 4.39Å; F227-W231 HydrophobicContact CG-CZ2 4.19Å; F227-W231 AromaticContact CZ-CE2 3.92Å; F227-W231 AromaticContact CZ-CH2 3.44Å; F227-W231 HydrophobicContact CZ-CH2 3.44Å; F227-W231 VanDerWaalsContact CZ-CH2 3.44Å; F227-W231 AromaticContact CZ-CZ2 3.02Å; F227-W231 HydrophobicContact CZ-CZ2 3.02Å; F227-W231 PolarHBondContact O-N 2.82Å
228L89Confident80.9Confident0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-57.8-47.2173.5171.466.3000111.7L42 L224 E225 S230 W231 L232 V249 I251 W278L42-L228 HydrophobicContact CD1-CD1 3.82Å; L42-L228 HydrophobicContact CD2-CD1 4.12Å; L42-L228 HydrophobicContact CD2-CD2 3.86Å; L224-L228 PolarHBondContact O-N 3.35Å; E225-L228 PolarHBondContact O-N 2.9Å; L228-S230 PolarHBondContact O-N 3.32Å; L228-W231 PolarHBondContact O-N 3.25Å; L228-W231 VanDerWaalsContact O-N 3.13Å; L228-L232 HydrophobicContact CD1-CD1 3.71Å; L228-L232 HydrophobicContact CD1-CG 3.84Å; L228-L232 HydrophobicContact CD2-CD1 4.29Å; L228-L232 HydrophobicContact CG-CD1 3.87Å; L228-L232 HydrophobicContact CG-CG 4.29Å; L228-L232 PolarHBondContact O-N 2.88Å; L228-V249 HydrophobicContact CD1-CG1 4.27Å; L228-I251 HydrophobicContact CB-CD1 4.46Å; L228-I251 HydrophobicContact CD1-CD1 3.62Å; L228-I251 HydrophobicContact CG-CD1 4.46Å; L228-W278 HydrophobicContact CB-CZ2 4.35Å; L228-W278 HydrophobicContact CD2-CD2 4.12Å; L228-W278 HydrophobicContact CD2-CG 3.86Å
229C86.6Confident78.9Confident30 Ų3062.2 Ų62.220%0.20332%0.316CS..Hα-helixtrans-60.6-35.7180-720000112E225 Q226 F227 W231 L232 Y233E225-C229 WeakPolarHBondContact O-CB 3.4Å; E225-C229 PolarHBondContact O-N 2.81Å; E225-C229 PolarHBondContact O-SG 2.74Å; E225-C229 PolarHBondContact OE1-SG 2.84Å; Q226-C229 PolarHBondContact O-N 3.17Å; F227-C229 PolarHBondContact O-N 3.28Å; C229-W231 PolarHBondContact O-N 3.03Å; C229-L232 PolarHBondContact O-N 2.85Å; C229-Y233 HydrophobicContact CB-CD2 3.98Å; C229-Y233 HydrophobicContact CB-CE2 4.4Å; C229-Y233 WeakPolarHBondContact O-CB 3.22Å; C229-Y233 WeakPolarHBondContact O-CD2 3.31Å; C229-Y233 PolarHBondContact O-N 2.85Å
230S84.7Confident77.2Confident35 Ų3564.2 Ų64.225%0.24533%0.329CS..Hα-helixtrans-64.7-28.8178.378.40000113.3Q226 F227 L228 H234Q226-S230 WeakPolarHBondContact O-CB 3.37Å; Q226-S230 PolarHBondContact O-N 3.08Å; F227-S230 PolarHBondContact O-N 3.31Å; F227-S230 PolarHBondContact O-OG 2.66Å; L228-S230 PolarHBondContact O-N 3.32Å; S230-H234 WeakPolarHBondContact O-CA 3.22Å
231W85.2Confident75.5Confident0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-82.3-43.7175.4-58.4-24.8000112.1I179 T183 V208 F227 L228 C229 L247 V249 I251I179-W231 HydrophobicContact CG2-CH2 4.32Å; I179-W231 HydrophobicContact CG2-CZ2 4.03Å; T183-W231 HydrophobicContact CG2-CG 4.28Å; T183-W231 VanDerWaalsContact CG2-NE1 3.32Å; V208-W231 HydrophobicContact CG2-CH2 3.59Å; V208-W231 HydrophobicContact CG2-CZ3 3.84Å; F227-W231 AromaticContact CD1-CH2 3.52Å; F227-W231 HydrophobicContact CD1-CH2 3.52Å; F227-W231 AromaticContact CD1-CZ2 3.72Å; F227-W231 HydrophobicContact CD1-CZ2 3.72Å; F227-W231 AromaticContact CD1-CZ3 3.97Å; F227-W231 HydrophobicContact CD1-CZ3 3.97Å; F227-W231 HydrophobicContact CD2-CZ2 4.11Å; F227-W231 AromaticContact CE1-CH2 2.97Å; F227-W231 HydrophobicContact CE1-CH2 2.97Å; F227-W231 AromaticContact CE1-CZ2 3.12Å; F227-W231 HydrophobicContact CE1-CZ2 3.12Å; F227-W231 AromaticContact CE1-CZ3 3.86Å; F227-W231 HydrophobicContact CE1-CZ3 3.86Å; F227-W231 AromaticContact CE2-CE2 3.98Å; F227-W231 HydrophobicContact CE2-CH2 4.27Å; F227-W231 AromaticContact CE2-CZ2 3.53Å; F227-W231 HydrophobicContact CE2-CZ2 3.53Å; F227-W231 HydrophobicContact CG-CH2 4.39Å; F227-W231 HydrophobicContact CG-CZ2 4.19Å; F227-W231 AromaticContact CZ-CE2 3.92Å; F227-W231 AromaticContact CZ-CH2 3.44Å; F227-W231 HydrophobicContact CZ-CH2 3.44Å; F227-W231 VanDerWaalsContact CZ-CH2 3.44Å; F227-W231 AromaticContact CZ-CZ2 3.02Å; F227-W231 HydrophobicContact CZ-CZ2 3.02Å; F227-W231 PolarHBondContact O-N 2.82Å; L228-W231 PolarHBondContact O-N 3.25Å; L228-W231 VanDerWaalsContact O-N 3.13Å; C229-W231 PolarHBondContact O-N 3.03Å; W231-L247 WeakPolarHBondContact O-CD2 3.27Å; W231-V249 HydrophobicContact CB-CG2 4.28Å; W231-V249 HydrophobicContact CE3-CG1 3.96Å; W231-V249 HydrophobicContact CZ3-CG1 4.44Å; W231-I251 HydrophobicContact CZ3-CD1 4.19Å
232L82Confident74Confident11 Ų1163.8 Ų63.86%0.05833%0.328CS..Hα-helixtrans-75.9-31.9-176.5-69-177.1000114N40 L42 L228 C229 V249N40-L232 PolarHBondContact ND2-O 2.81Å; L42-L232 HydrophobicContact CB-CD1 4.26Å; L42-L232 HydrophobicContact CB-CD2 4.19Å; L42-L232 HydrophobicContact CD2-CD1 4.16Å; L228-L232 HydrophobicContact CD1-CD1 3.71Å; L228-L232 HydrophobicContact CD1-CG 3.84Å; L228-L232 HydrophobicContact CD2-CD1 4.29Å; L228-L232 HydrophobicContact CG-CD1 3.87Å; L228-L232 HydrophobicContact CG-CG 4.29Å; L228-L232 PolarHBondContact O-N 2.88Å; C229-L232 PolarHBondContact O-N 2.85Å; L232-V249 HydrophobicContact CD2-CB 4.15Å; L232-V249 HydrophobicContact CD2-CG2 3.86Å
233Y76.6Confident72.9Confident140 Ų14055.5 Ų55.555%0.54930%0.298SS..THydrogen-bonded Turntrans-121.527.5-173.5-52-63.9000111.8C229 S235 R281C229-Y233 HydrophobicContact CB-CD2 3.98Å; C229-Y233 HydrophobicContact CB-CE2 4.4Å; C229-Y233 WeakPolarHBondContact O-CB 3.22Å; C229-Y233 WeakPolarHBondContact O-CD2 3.31Å; C229-Y233 PolarHBondContact O-N 2.85Å; Y233-S235 PolarHBondContact O-N 3.14Å; Y233-R281 PolarHBondContact OH-NH1 3.5Å
234H67.5Low72.1Confident49 Ų4954 Ų5423%0.22729%0.291CS..  trans-40.2113.7-177.4-165.374.1000110.5Y191 S230 H236Y191-H234 PolarHBondContact OH-CD2 2.93Å; S230-H234 WeakPolarHBondContact O-CA 3.22Å; H234-H236 AromaticContact CD2-ND1 3.94Å; H234-H236 PolarHBondContact O-CD2 3.22Å; H234-H236 VanDerWaalsContact O-CD2 3.26Å; H234-H236 PolarHBondContact O-N 3.04Å; H234-H236 PolarHBondContact O-NE2 3.3Å
235S51.9Low71.2Confident108 Ų10856.1 Ų56.176%0.75530%0.304SS*.  trans-70.2107.6-176.160.20000107.8Y233 D237Y233-S235 PolarHBondContact O-N 3.14Å; S235-D237 PolarHBondContact O-N 3.4Å
236H57.6Low70.7Confident71 Ų7156.3 Ų56.333%0.32931%0.306SS..  trans-73.6130.3178.7-58.4-64.9000109.7I38 H234 P238 I242I38-H236 VanDerWaalsContact CD1-CE1 3.47Å; I38-H236 WeakPolarHBondContact CD1-CE1 3.46Å; I38-H236 WeakPolarHBondContact CD1-NE2 3.46Å; H234-H236 AromaticContact CD2-ND1 3.94Å; H234-H236 PolarHBondContact O-CD2 3.22Å; H234-H236 VanDerWaalsContact O-CD2 3.26Å; H234-H236 PolarHBondContact O-N 3.04Å; H234-H236 PolarHBondContact O-NE2 3.3Å; H236-P238 WeakPolarHBondContact O-CD 3.45Å; H236-I242 HydrophobicContact CB-CD1 3.77Å; H236-I242 HydrophobicContact CB-CG1 4.49Å; H236-I242 VanDerWaalsContact CD2-CD1 3.43Å; H236-I242 WeakPolarHBondContact CD2-CD1 3.4Å; H236-I242 VanDerWaalsContact ND1-CD1 3.25Å; H236-I242 WeakPolarHBondContact ND1-CD1 3.24Å
237D53Low70.5Confident91 Ų9151.7 Ų51.749%0.48729%0.285SS..  trans-66.4121.6160.1-176.4-19.4000106.7S235 Q239 T240S235-D237 PolarHBondContact O-N 3.4Å; D237-Q239 PolarHBondContact O-N 3.07Å; D237-Q239 PolarHBondContact OD1-N 3.45Å; D237-T240 PolarHBondContact O-N 2.79Å; D237-T240 PolarHBondContact O-OG1 2.71Å
238P50.5Low70.6Confident132 Ų13251.4 Ų51.486%0.85728%0.283SS*.THydrogen-bonded Turntrans-56.3-13.1-179.620.5-32000114.1H236H236-P238 WeakPolarHBondContact O-CD 3.45Å
239Q48.3Very low70.8Confident172 Ų17251.4 Ų51.480%0.80428%0.283SS*.THydrogen-bonded Turntrans-83.4-9.5174.3-60.2-169.9400114.6D237D237-Q239 PolarHBondContact O-N 3.07Å; D237-Q239 PolarHBondContact OD1-N 3.45Å
240T56.3Low71.2Confident43 Ų4350 Ų5026%0.26427%0.274SS..SBendtrans-98.8114.2-176.1-37.70000109.8Y191 D237 I242Y191-T240 HydrophobicContact CD2-CG2 4.49Å; Y191-T240 HydrophobicContact CG-CG2 4.1Å; D237-T240 PolarHBondContact O-N 2.79Å; D237-T240 PolarHBondContact O-OG1 2.71Å; T240-I242 PolarHBondContact O-N 2.92Å; T240-I242 VanDerWaalsContact O-N 3.13Å
241A55Low71.8Confident33 Ų3348.4 Ų48.427%0.27326%0.262SS..EExtended strand (participates in β ladder)trans-68112.3171.800000108.9T192 N243T192-A241 HydrophobicContact CG2-CB 4.27Å; T192-A241 PolarHBondContact N-O 2.9Å; A241-N243 PolarHBondContact O-N 3.23Å
242I61.7Low72.3Confident57 Ų5748.4 Ų48.429%0.29226%0.262SS..EExtended strand (participates in β ladder)trans-80.9112.1-179.6-58.1149.6000108.4I38 Y191 H236 T240 I244I38-I242 HydrophobicContact CD1-CD1 4.38Å; I38-I242 HydrophobicContact CD1-CG2 3.83Å; I38-I242 HydrophobicContact CG1-CG2 4.39Å; Y191-I242 HydrophobicContact CD1-CB 4.38Å; Y191-I242 HydrophobicContact CD1-CG1 4.32Å; Y191-I242 HydrophobicContact CD1-CG2 4.16Å; Y191-I242 HydrophobicContact CE1-CB 4.32Å; Y191-I242 HydrophobicContact CE1-CG1 4.1Å; Y191-I242 HydrophobicContact CE1-CG2 3.8Å; H236-I242 HydrophobicContact CB-CD1 3.77Å; H236-I242 HydrophobicContact CB-CG1 4.49Å; H236-I242 VanDerWaalsContact CD2-CD1 3.43Å; H236-I242 WeakPolarHBondContact CD2-CD1 3.4Å; H236-I242 VanDerWaalsContact ND1-CD1 3.25Å; H236-I242 WeakPolarHBondContact ND1-CD1 3.24Å; T240-I242 PolarHBondContact O-N 2.92Å; T240-I242 VanDerWaalsContact O-N 3.13Å; I242-I244 HydrophobicContact CG2-CB 3.74Å; I242-I244 HydrophobicContact CG2-CG1 4.14Å; I242-I244 VanDerWaalsContact CG2-N 3.34Å; I242-I244 PolarHBondContact O-N 2.85Å
243N68.8Low72.8Confident13 Ų1348 Ų487%0.0726%0.26CS..  trans-84.24.3172.3-80.93.8000112.5S190 T192 Q200 Q201 H202 A241 T245S190-N243 WeakPolarHBondContact O-CB 3.48Å; T192-N243 WeakPolarHBondContact CG2-ND2 3.19Å; T192-N243 WeakPolarHBondContact CG2-OD1 3.31Å; Q200-N243 VanDerWaalsContact O-CB 3.23Å; Q200-N243 WeakPolarHBondContact O-CB 3.27Å; Q200-N243 VanDerWaalsContact O-CG 3.3Å; Q200-N243 PolarHBondContact O-ND2 2.89Å; Q201-N243 CarbonylContact C-O 3.58Å; Q201-N243 WeakPolarHBondContact CA-O 3.41Å; H202-N243 PolarHBondContact N-O 2.82Å; A241-N243 PolarHBondContact O-N 3.23Å; N243-T245 PolarHBondContact O-N 3.45Å
244I74.7Confident73.5Confident10 Ų1043.8 Ų43.85%0.05125%0.245CC..EExtended strand (participates in β ladder)trans-85113.4180-55.6177000109.7I38 L187 Y191 H202 V204 I242 L247I38-I244 HydrophobicContact CG2-CG2 4.05Å; L187-I244 HydrophobicContact CD2-CD1 3.83Å; Y191-I244 HydrophobicContact CD1-CD1 4.38Å; Y191-I244 HydrophobicContact CE1-CD1 3.61Å; Y191-I244 HydrophobicContact CE1-CG1 4.1Å; H202-I244 WeakPolarHBondContact O-CA 3.49Å; V204-I244 HydrophobicContact CB-CG2 4.29Å; V204-I244 HydrophobicContact CG2-CD1 4.11Å; V204-I244 HydrophobicContact CG2-CG1 4Å; V204-I244 HydrophobicContact CG2-CG2 3.99Å; I242-I244 HydrophobicContact CG2-CB 3.74Å; I242-I244 HydrophobicContact CG2-CG1 4.14Å; I242-I244 VanDerWaalsContact CG2-N 3.34Å; I242-I244 PolarHBondContact O-N 2.85Å; I244-L247 HydrophobicContact CG2-CB 4.41Å
245T74.7Confident74.4Confident47 Ų4741.7 Ų41.729%0.28824%0.236SC..EExtended strand (participates in β ladder)trans-86.9-42.9177.9-54.20000111.4Q201 H202 N243Q201-T245 VanDerWaalsContact CB-OG1 3.22Å; Q201-T245 WeakPolarHBondContact CB-OG1 3.43Å; Q201-T245 VanDerWaalsContact CD-OG1 3.27Å; Q201-T245 VanDerWaalsContact CG-OG1 3.28Å; Q201-T245 WeakPolarHBondContact CG-OG1 3.28Å; Q201-T245 PolarHBondContact OE1-OG1 3.02Å; H202-T245 PolarHBondContact O-N 3.44Å; N243-T245 PolarHBondContact O-N 3.45Å
246N81.1Confident75.8Confident27 Ų2738.9 Ų38.914%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-134.1132.1179.8-60.3-75.1000110Y68 N203 V204Y68-N246 HydrophobicContact CE1-CB 3.81Å; Y68-N246 WeakPolarHBondContact CE1-ND2 3.37Å; Y68-N246 WeakPolarHBondContact OH-CB 3.48Å; N203-N246 PolarHBondContact OD1-ND2 3.03Å; V204-N246 PolarHBondContact N-O 3.36Å
247L86.4Confident76.5Confident7 Ų739.8 Ų39.84%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-116.8121.6170.418064.9000108.8I38 N40 K41 L187 V204 I206 W231 I244 V249I38-L247 HydrophobicContact CG2-CB 4.33Å; N40-L247 WeakPolarHBondContact CA-O 3.42Å; N40-L247 VanDerWaalsContact OD1-CB 3.24Å; N40-L247 WeakPolarHBondContact OD1-CB 3.24Å; K41-L247 PolarHBondContact N-O 3.11Å; L187-L247 HydrophobicContact CD2-CD1 4.41Å; V204-L247 HydrophobicContact CB-CD1 3.92Å; V204-L247 HydrophobicContact CG1-CD1 3.81Å; V204-L247 CarbonylContact O-C 3.52Å; V204-L247 WeakPolarHBondContact O-CA 3.37Å; I206-L247 HydrophobicContact CD1-CD1 3.95Å; I206-L247 HydrophobicContact CG1-CD1 4.29Å; W231-L247 WeakPolarHBondContact O-CD2 3.27Å; I244-L247 HydrophobicContact CG2-CB 4.41Å; L247-V249 HydrophobicContact CD1-CG2 4.48Å; L247-V249 HydrophobicContact CD2-CG2 4.17Å; L247-V249 HydrophobicContact CG-CG2 4.09Å
248L91Very high77.2Confident4 Ų441.6 Ų41.62%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-108.5116.4167.3179.763.4000108.9L11 K41 C43 F64 V204 G205 I206 F207L11-L248 HydrophobicContact CD2-CD1 4Å; L11-L248 HydrophobicContact CD2-CD2 4.26Å; K41-L248 HydrophobicContact CB-CD1 3.85Å; C43-L248 HydrophobicContact CB-CD1 4.19Å; F64-L248 HydrophobicContact CB-CD2 3.96Å; F64-L248 HydrophobicContact CD2-CB 3.75Å; F64-L248 HydrophobicContact CD2-CD2 3.68Å; F64-L248 HydrophobicContact CD2-CG 4.35Å; F64-L248 HydrophobicContact CE2-CB 3.95Å; F64-L248 HydrophobicContact CG-CD2 4.17Å; V204-L248 PolarHBondContact O-N 3.36Å; G205-L248 CarbonylContact C-O 3.6Å; G205-L248 WeakPolarHBondContact CA-O 3.38Å; I206-L248 PolarHBondContact N-O 2.98Å; F207-L248 HydrophobicContact CE1-CD2 4.35Å; F207-L248 HydrophobicContact CZ-CD2 4.09Å
249V93.5Very high78.2Confident0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-99.4121.7167.1-1770000107.7K41 L42 C43 I206 L228 W231 L232 L247 I251K41-V249 PolarHBondContact O-N 3.22Å; L42-V249 CarbonylContact C-O 3.59Å; L42-V249 WeakPolarHBondContact CA-O 3.41Å; L42-V249 HydrophobicContact CD1-CB 4.24Å; L42-V249 HydrophobicContact CD1-CG1 4.1Å; C43-V249 PolarHBondContact N-O 2.75Å; I206-V249 HydrophobicContact CB-CG2 4.49Å; I206-V249 HydrophobicContact CD1-CG2 4.49Å; I206-V249 CarbonylContact O-C 3.47Å; I206-V249 WeakPolarHBondContact O-CA 3.34Å; L228-V249 HydrophobicContact CD1-CG1 4.27Å; W231-V249 HydrophobicContact CB-CG2 4.28Å; W231-V249 HydrophobicContact CE3-CG1 3.96Å; W231-V249 HydrophobicContact CZ3-CG1 4.44Å; L232-V249 HydrophobicContact CD2-CB 4.15Å; L232-V249 HydrophobicContact CD2-CG2 3.86Å; L247-V249 HydrophobicContact CD1-CG2 4.48Å; L247-V249 HydrophobicContact CD2-CG2 4.17Å; L247-V249 HydrophobicContact CG-CG2 4.09Å; V249-I251 HydrophobicContact CG1-CD1 4.36Å; V249-I251 HydrophobicContact CG1-CG1 4.01Å
250C95.4Very high78.8Confident0 Ų032.1 Ų32.10%018%0.18CC..EExtended strand (participates in β ladder)trans-116.1120.4172.2-1730000110.1C43 I206 F207 V208C43-C250 HydrophobicContact CB-CB 4.24Å; C43-C250 CarbonylContact O-C 3.53Å; C43-C250 VanDerWaalsContact O-CA 3.24Å; C43-C250 WeakPolarHBondContact O-CA 3.46Å; C43-C250 PolarHBondContact O-SG 2.83Å; I206-C250 PolarHBondContact O-N 3.16Å; F207-C250 WeakPolarHBondContact CA-O 3.11Å; F207-C250 HydrophobicContact CD1-CB 3.39Å; F207-C250 HydrophobicContact CE1-CB 3.64Å; F207-C250 HydrophobicContact CG-CB 4.31Å; V208-C250 PolarHBondContact N-O 2.79Å
251I95.8Very high79.1Confident1 Ų133.6 Ų33.61%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-113.5118.5178.6-61.1-170000108.6L42 C43 L44 L45 I211 L228 W231 V249 W278L42-I251 HydrophobicContact CD1-CD1 4.44Å; L42-I251 HydrophobicContact CD1-CG1 4.26Å; C43-I251 PolarHBondContact O-N 3.36Å; L44-I251 HydrophobicContact CD1-CB 4.38Å; L44-I251 HydrophobicContact CD1-CG2 4.45Å; L45-I251 PolarHBondContact N-O 2.94Å; I211-I251 HydrophobicContact CB-CG2 4.03Å; I211-I251 HydrophobicContact CD1-CD1 4.44Å; I211-I251 HydrophobicContact CD1-CG2 4.31Å; I211-I251 HydrophobicContact CG2-CG2 3.44Å; I211-I251 VanDerWaalsContact CG2-CG2 3.44Å; L228-I251 HydrophobicContact CB-CD1 4.46Å; L228-I251 HydrophobicContact CD1-CD1 3.62Å; L228-I251 HydrophobicContact CG-CD1 4.46Å; W231-I251 HydrophobicContact CZ3-CD1 4.19Å; V249-I251 HydrophobicContact CG1-CD1 4.36Å; V249-I251 HydrophobicContact CG1-CG1 4.01Å; I251-W278 HydrophobicContact CD1-CH2 4.35Å; I251-W278 HydrophobicContact CD1-CZ3 4.43Å; I251-W278 HydrophobicContact CG2-CE3 4.23Å; I251-W278 HydrophobicContact CG2-CH2 4.25Å; I251-W278 HydrophobicContact CG2-CZ3 3.65Å
252G95.9Very high79.3Confident0 Ų036.2 Ų36.20%020%0.202CC..EExtended strand (participates in β ladder)trans-84.8135.9166.700000110.8L45 H53 V208 N210 I211L45-G252 CarbonylContact O-C 3.53Å; L45-G252 WeakPolarHBondContact O-CA 3.24Å; H53-G252 VanDerWaalsContact CE1-CA 3.45Å; H53-G252 WeakPolarHBondContact CE1-CA 3.45Å; V208-G252 PolarHBondContact O-N 2.83Å; N210-G252 CarbonylContact C-O 3.58Å; N210-G252 VanDerWaalsContact CA-O 3.29Å; N210-G252 WeakPolarHBondContact CA-O 3.28Å; N210-G252 PolarHBondContact N-O 2.88Å; I211-G252 PolarHBondContact N-O 2.78Å
253L94Very high79.3Confident2 Ų238 Ų381%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-132.8121.5170.6-164.185.9000108.5L45 L46 S47 I211 V255 V275 W278L45-L253 PolarHBondContact O-N 3.07Å; L46-L253 WeakPolarHBondContact CA-O 3.4Å; L46-L253 HydrophobicContact CD2-CB 3.69Å; L46-L253 HydrophobicContact CD2-CD2 3.83Å; L46-L253 HydrophobicContact CD2-CG 4.41Å; S47-L253 PolarHBondContact N-O 3.32Å; S47-L253 PolarHBondContact OG-O 3.2Å; I211-L253 HydrophobicContact CG2-CD1 3.48Å; I211-L253 VanDerWaalsContact CG2-CD1 3.48Å; L253-V255 HydrophobicContact CD2-CG1 3.52Å; L253-V255 HydrophobicContact CG-CG1 3.99Å; L253-V275 HydrophobicContact CD2-CG2 3.28Å; L253-W278 HydrophobicContact CD1-CZ3 4.39Å
254H90.6Very high78.9Confident52 Ų5238.5 Ų38.524%0.24122%0.215CC..EExtended strand (participates in β ladder)trans-98.2119.2171.3-163.181.8000109S47 G49 N210 S212S47-H254 WeakPolarHBondContact O-CA 3.14Å; S47-H254 WeakPolarHBondContact OG-CA 3.33Å; S47-H254 PolarHBondContact OG-ND1 3.32Å; G49-H254 PolarHBondContact O-CE1 3.03Å; G49-H254 PolarHBondContact O-NE2 2.87Å; N210-H254 WeakPolarHBondContact OD1-CA 3.45Å; N210-H254 WeakPolarHBondContact OD1-CB 3.47Å; N210-H254 PolarHBondContact OD1-N 3.42Å; S212-H254 PolarHBondContact OG-O 2.9Å
255V86.7Confident78.2Confident5 Ų540.8 Ų40.83%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-115.1149.4-179.4-62.30000109.3S47 H48 G49 L253 F259S47-V255 PolarHBondContact O-N 2.9Å; H48-V255 CarbonylContact C-O 3.56Å; H48-V255 VanDerWaalsContact CA-O 3.3Å; H48-V255 WeakPolarHBondContact CA-O 3.47Å; H48-V255 HydrophobicContact CB-CG2 4.44Å; H48-V255 VanDerWaalsContact CE1-CG2 3.45Å; H48-V255 WeakPolarHBondContact CE1-CG2 3.48Å; H48-V255 WeakPolarHBondContact ND1-CG2 3.37Å; G49-V255 PolarHBondContact N-O 3.18Å; L253-V255 HydrophobicContact CD2-CG1 3.52Å; L253-V255 HydrophobicContact CG-CG1 3.99Å; V255-F259 HydrophobicContact CB-CB 3.74Å; V255-F259 HydrophobicContact CB-CD1 4.01Å; V255-F259 HydrophobicContact CB-CD2 3.87Å; V255-F259 HydrophobicContact CB-CG 3.58Å; V255-F259 HydrophobicContact CG1-CD1 4.03Å; V255-F259 HydrophobicContact CG1-CD2 3.93Å; V255-F259 HydrophobicContact CG1-CE1 4.15Å; V255-F259 HydrophobicContact CG1-CE2 4.07Å; V255-F259 HydrophobicContact CG1-CG 3.91Å; V255-F259 HydrophobicContact CG1-CZ 4.16Å; V255-F259 HydrophobicContact CG2-CB 3.74Å; V255-F259 HydrophobicContact CG2-CD1 3.85Å; V255-F259 HydrophobicContact CG2-CG 3.79Å
256G81Confident77.4Confident50 Ų5045.6 Ų45.652%0.51525%0.251SS..  trans-63.1167.5178.800000113.4F258 F259G256-F258 PolarHBondContact O-N 2.79Å; G256-F258 VanDerWaalsContact O-N 3.12Å; G256-F259 WeakPolarHBondContact O-CB 3.01Å; G256-F259 PolarHBondContact O-N 2.97Å
257D72.3Confident76.9Confident90 Ų9053 Ų5348%0.48128%0.278SS..THydrogen-bonded Turntrans-52.4-36.3-179.5-70-55000113.1G49G49-D257 WeakPolarHBondContact CA-OD1 3.47Å
258F68.2Low76.6Confident128 Ų12856.4 Ų56.456%0.56129%0.294SS*.THydrogen-bonded Turntrans-93.75.3-170.9-54.4-69.3000114.4G256 Q260 D261 V264G256-F258 PolarHBondContact O-N 2.79Å; G256-F258 VanDerWaalsContact O-N 3.12Å; F258-Q260 PolarHBondContact O-N 3.43Å; F258-D261 HydrophobicContact CB-CB 4.43Å; F258-D261 WeakPolarHBondContact CD1-OD2 3.46Å; F258-D261 WeakPolarHBondContact O-CB 3.43Å; F258-D261 PolarHBondContact O-N 3.44Å; F258-V264 VanDerWaalsContact C-CG2 3.42Å; F258-V264 HydrophobicContact CB-CG2 3.45Å; F258-V264 VanDerWaalsContact CB-CG2 3.45Å; F258-V264 WeakPolarHBondContact O-CB 3.42Å; F258-V264 WeakPolarHBondContact O-CG2 3.29Å
259F70.9Confident76.1Confident12 Ų1259.9 Ų59.95%0.05332%0.317CS..THydrogen-bonded Turntrans-54-23.2-169.7-174.2-106.5000115.8V255 G256 V264 L271 V272 V275V255-F259 HydrophobicContact CB-CB 3.74Å; V255-F259 HydrophobicContact CB-CD1 4.01Å; V255-F259 HydrophobicContact CB-CD2 3.87Å; V255-F259 HydrophobicContact CB-CG 3.58Å; V255-F259 HydrophobicContact CG1-CD1 4.03Å; V255-F259 HydrophobicContact CG1-CD2 3.93Å; V255-F259 HydrophobicContact CG1-CE1 4.15Å; V255-F259 HydrophobicContact CG1-CE2 4.07Å; V255-F259 HydrophobicContact CG1-CG 3.91Å; V255-F259 HydrophobicContact CG1-CZ 4.16Å; V255-F259 HydrophobicContact CG2-CB 3.74Å; V255-F259 HydrophobicContact CG2-CD1 3.85Å; V255-F259 HydrophobicContact CG2-CG 3.79Å; G256-F259 WeakPolarHBondContact O-CB 3.01Å; G256-F259 PolarHBondContact O-N 2.97Å; F259-V264 HydrophobicContact CD2-CG1 4.25Å; F259-L271 HydrophobicContact CD2-CD2 4.34Å; F259-L271 HydrophobicContact CE2-CB 4.13Å; F259-L271 HydrophobicContact CE2-CD2 3.67Å; F259-L271 HydrophobicContact CE2-CG 3.62Å; F259-L271 HydrophobicContact CZ-CG 4.07Å; F259-V272 HydrophobicContact CD2-CG2 4.41Å; F259-V272 HydrophobicContact CE1-CG2 4.5Å; F259-V272 HydrophobicContact CE2-CG2 3.83Å; F259-V272 HydrophobicContact CZ-CB 4.37Å; F259-V272 HydrophobicContact CZ-CG2 3.9Å; F259-V275 HydrophobicContact CE1-CB 4.04Å; F259-V275 HydrophobicContact CE1-CG1 4.11Å; F259-V275 HydrophobicContact CE1-CG2 3.84Å; F259-V275 HydrophobicContact CZ-CB 3.99Å; F259-V275 HydrophobicContact CZ-CG2 3.53Å
260Q61.8Low75.8Confident94 Ų9462 Ų6244%0.43934%0.335SS..THydrogen-bonded Turntrans-115.44.3178.1-69.4178.35.600113.8F258 E287F258-Q260 PolarHBondContact O-N 3.43Å; Q260-E287 PolarHBondContact NE2-OE1 2.86Å; Q260-E287 PolarHBondContact OE1-OE1 2.64Å
261D61.7Low75.5Confident74 Ų7462.4 Ų62.440%0.39634%0.337SS..SBendtrans-69.3145.3167.6-75.11.6000108.2F258 I263 V264 S265F258-D261 HydrophobicContact CB-CB 4.43Å; F258-D261 WeakPolarHBondContact CD1-OD2 3.46Å; F258-D261 WeakPolarHBondContact O-CB 3.43Å; F258-D261 PolarHBondContact O-N 3.44Å; D261-I263 HydrophobicContact CB-CB 4.5Å; D261-I263 PolarHBondContact O-N 2.93Å; D261-V264 PolarHBondContact O-N 3.24Å; D261-S265 PolarHBondContact O-N 3.5Å
262S59.6Low75.1Confident88 Ų8864.5 Ų64.562%0.61535%0.349SS*.Hα-helixtrans-49.6-31.2177.754.40000111.7S265S262-S265 PolarHBondContact O-OG 2.97Å
263I61Low74.7Confident95 Ų9570.1 Ų70.149%0.48738%0.375SS..Hα-helixtrans-60.6-51.2177.3-55.7-179.7000112.2D261 S265 E266 Y267D261-I263 HydrophobicContact CB-CB 4.5Å; D261-I263 PolarHBondContact O-N 2.93Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 2.98Å; I263-E266 WeakPolarHBondContact O-CB 3.38Å; I263-E266 PolarHBondContact O-N 2.95Å; I263-E266 VanDerWaalsContact O-N 3.07Å; I263-Y267 HydrophobicContact CG2-CD2 3.75Å; I263-Y267 HydrophobicContact CG2-CE2 3.46Å; I263-Y267 VanDerWaalsContact CG2-CE2 3.46Å; I263-Y267 WeakPolarHBondContact O-CD2 3.41Å; I263-Y267 PolarHBondContact O-N 3.35Å
264V60Low74.5Confident23 Ų2370 Ų7014%0.13938%0.375CS..Hα-helixtrans-71.9-28.9-177.2175.90000112.1F258 F259 D261 E266 Y267 E268F258-V264 VanDerWaalsContact C-CG2 3.42Å; F258-V264 HydrophobicContact CB-CG2 3.45Å; F258-V264 VanDerWaalsContact CB-CG2 3.45Å; F258-V264 WeakPolarHBondContact O-CB 3.42Å; F258-V264 WeakPolarHBondContact O-CG2 3.29Å; F259-V264 HydrophobicContact CD2-CG1 4.25Å; D261-V264 PolarHBondContact O-N 3.24Å; V264-E266 PolarHBondContact O-N 2.93Å; V264-E266 VanDerWaalsContact O-N 3.11Å; V264-Y267 PolarHBondContact O-N 3.45Å; V264-Y267 VanDerWaalsContact O-N 3.1Å; V264-E268 HydrophobicContact CG1-CB 4.27Å; V264-E268 PolarHBondContact O-N 3.28Å
265S59.8Low74.5Confident58 Ų5867.9 Ų67.941%0.40637%0.365SS..Hα-helixtrans-60.1-21.4171.974.60000113.1D261 S262 I263D261-S265 PolarHBondContact O-N 3.5Å; S262-S265 PolarHBondContact O-OG 2.97Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 2.98Å
266E59.6Low74.6Confident148 Ų14870.3 Ų70.369%0.69239%0.386SS*.Hα-helixtrans-86.8-36.8173.4-63.1175.3-176.900112.8I263 V264I263-E266 WeakPolarHBondContact O-CB 3.38Å; I263-E266 PolarHBondContact O-N 2.95Å; I263-E266 VanDerWaalsContact O-N 3.07Å; V264-E266 PolarHBondContact O-N 2.93Å; V264-E266 VanDerWaalsContact O-N 3.11Å
267Y69.4Low75Confident181 Ų18170.2 Ų70.271%0.7137%0.373SS*.Hα-helixtrans-83.3-37.3-177.7-71.6-73.1000114.1I263 V264 P269I263-Y267 HydrophobicContact CG2-CD2 3.75Å; I263-Y267 HydrophobicContact CG2-CE2 3.46Å; I263-Y267 VanDerWaalsContact CG2-CE2 3.46Å; I263-Y267 WeakPolarHBondContact O-CD2 3.41Å; I263-Y267 PolarHBondContact O-N 3.35Å; V264-Y267 PolarHBondContact O-N 3.45Å; V264-Y267 VanDerWaalsContact O-N 3.1Å; Y267-P269 VanDerWaalsContact C-CD 3.41Å
268E79.7Confident75.9Confident80 Ų8065.9 Ų65.937%0.37435%0.35SS..  trans-130.256.1-177.5-64.1-171.8176.500112.9V264 A270 L271 V272V264-E268 HydrophobicContact CG1-CB 4.27Å; V264-E268 PolarHBondContact O-N 3.28Å; E268-A270 PolarHBondContact O-N 3.16Å; E268-A270 VanDerWaalsContact O-N 3.09Å; E268-L271 HydrophobicContact CB-CB 4.49Å; E268-L271 PolarHBondContact O-N 3.46Å; E268-V272 PolarHBondContact O-N 3.07Å
269P82.5Confident77Confident77 Ų7762.8 Ų62.850%0.534%0.337SS..Hα-helixtrans-59.7-28.6-177.224.5-34.8000112.8Y267 H273Y267-P269 VanDerWaalsContact C-CD 3.41Å; P269-H273 VanDerWaalsContact O-CB 3.28Å; P269-H273 WeakPolarHBondContact O-CB 3.45Å; P269-H273 PolarHBondContact O-N 3.38Å
270A87.2Confident77.6Confident45 Ų4565 Ų6537%0.37235%0.353SS..Hα-helixtrans-68.5-43.5-178.200000112.3I221 E268 H273 L274I221-A270 HydrophobicContact CG1-CB 3.8Å; E268-A270 PolarHBondContact O-N 3.16Å; E268-A270 VanDerWaalsContact O-N 3.09Å; A270-H273 PolarHBondContact O-N 3.36Å; A270-L274 PolarHBondContact O-N 2.92Å
271L87.3Confident78.8Confident8 Ų864.1 Ų64.14%0.04235%0.346CS..Hα-helixtrans-70.2-41.1177.7-175.362.1000110.9Y215 I221 F259 E268 H273 L274 V275Y215-L271 HydrophobicContact CD1-CD1 4.3Å; Y215-L271 HydrophobicContact CD1-CD2 4.24Å; Y215-L271 HydrophobicContact CE1-CB 4.15Å; Y215-L271 HydrophobicContact CE1-CD2 4.26Å; Y215-L271 HydrophobicContact CG-CD1 4.42Å; I221-L271 HydrophobicContact CD1-CD1 4.23Å; F259-L271 HydrophobicContact CD2-CD2 4.34Å; F259-L271 HydrophobicContact CE2-CB 4.13Å; F259-L271 HydrophobicContact CE2-CD2 3.67Å; F259-L271 HydrophobicContact CE2-CG 3.62Å; F259-L271 HydrophobicContact CZ-CG 4.07Å; E268-L271 HydrophobicContact CB-CB 4.49Å; E268-L271 PolarHBondContact O-N 3.46Å; L271-H273 VanDerWaalsContact C-N 3.28Å; L271-H273 PolarHBondContact O-N 2.79Å; L271-L274 HydrophobicContact CD1-CD2 4.49Å; L271-L274 WeakPolarHBondContact O-CB 3.26Å; L271-L274 PolarHBondContact O-N 2.79Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 2.81Å
272V87.6Confident80.1Confident44 Ų4460.8 Ų60.827%0.26733%0.329SS..Hα-helixtrans-57.2-441731760000111F259 E268 V275 A276F259-V272 HydrophobicContact CD2-CG2 4.41Å; F259-V272 HydrophobicContact CE1-CG2 4.5Å; F259-V272 HydrophobicContact CE2-CG2 3.83Å; F259-V272 HydrophobicContact CZ-CB 4.37Å; F259-V272 HydrophobicContact CZ-CG2 3.9Å; E268-V272 PolarHBondContact O-N 3.07Å; V272-V275 PolarHBondContact O-N 2.82Å; V272-A276 PolarHBondContact O-N 2.88Å
273H87.8Confident81.4Confident119 Ų11958.3 Ų58.355%0.55131%0.311SS*.Hα-helixtrans-62.8-43.9176.2-178.268.5000112.6P269 A270 L271 V275 A276 L277P269-H273 VanDerWaalsContact O-CB 3.28Å; P269-H273 WeakPolarHBondContact O-CB 3.45Å; P269-H273 PolarHBondContact O-N 3.38Å; A270-H273 PolarHBondContact O-N 3.36Å; L271-H273 VanDerWaalsContact C-N 3.28Å; L271-H273 PolarHBondContact O-N 2.79Å; H273-V275 PolarHBondContact O-N 2.97Å; H273-A276 PolarHBondContact O-N 2.85Å; H273-L277 WeakPolarHBondContact O-CB 3.3Å; H273-L277 PolarHBondContact O-N 2.8Å
274L90.7Very high82.8Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-59.6-45.8176-17757.8000111.9I221 L224 E225 A270 L271 A276 L277 W278I221-L274 HydrophobicContact CD1-CB 3.89Å; I221-L274 HydrophobicContact CD1-CD2 3.55Å; I221-L274 HydrophobicContact CD1-CG 4.32Å; I221-L274 HydrophobicContact CG2-CB 3.68Å; I221-L274 HydrophobicContact CG2-CD1 3.93Å; I221-L274 HydrophobicContact CG2-CD2 4.25Å; I221-L274 HydrophobicContact CG2-CG 4.14Å; L224-L274 HydrophobicContact CB-CD2 3.97Å; L224-L274 HydrophobicContact CD1-CD2 3.72Å; E225-L274 HydrophobicContact CB-CD1 4.23Å; A270-L274 PolarHBondContact O-N 2.92Å; L271-L274 HydrophobicContact CD1-CD2 4.49Å; L271-L274 WeakPolarHBondContact O-CB 3.26Å; L271-L274 PolarHBondContact O-N 2.79Å; L274-A276 VanDerWaalsContact C-N 3.32Å; L274-A276 PolarHBondContact O-N 2.86Å; L274-L277 WeakPolarHBondContact O-CB 3.35Å; L274-L277 PolarHBondContact O-N 2.78Å; L274-L277 VanDerWaalsContact O-N 3.17Å; L274-W278 HydrophobicContact CD1-CD2 4.11Å; L274-W278 HydrophobicContact CD1-CG 4.34Å; L274-W278 HydrophobicContact CD1-CZ2 3.86Å; L274-W278 VanDerWaalsContact CD1-NE1 3.31Å; L274-W278 HydrophobicContact CD2-CH2 4.06Å; L274-W278 HydrophobicContact CD2-CZ2 4Å; L274-W278 HydrophobicContact CD2-CZ3 4.46Å; L274-W278 HydrophobicContact CG-CD2 4.17Å; L274-W278 HydrophobicContact CG-CH2 4.49Å; L274-W278 HydrophobicContact CG-CZ2 4.15Å; L274-W278 PolarHBondContact O-N 2.84Å
275V90.4Very high84.4Confident6 Ų653.3 Ų53.34%0.03629%0.285CS..Hα-helixtrans-61.8-42.9178.6173.10000110.9L46 L253 F259 L271 V272 H273 L277 W278 K279L46-V275 HydrophobicContact CD1-CG1 3.66Å; L46-V275 HydrophobicContact CD2-CG1 4.18Å; L253-V275 HydrophobicContact CD2-CG2 3.28Å; F259-V275 HydrophobicContact CE1-CB 4.04Å; F259-V275 HydrophobicContact CE1-CG1 4.11Å; F259-V275 HydrophobicContact CE1-CG2 3.84Å; F259-V275 HydrophobicContact CZ-CB 3.99Å; F259-V275 HydrophobicContact CZ-CG2 3.53Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 2.81Å; V272-V275 PolarHBondContact O-N 2.82Å; H273-V275 PolarHBondContact O-N 2.97Å; V275-L277 VanDerWaalsContact C-N 3.32Å; V275-L277 PolarHBondContact O-N 2.95Å; V275-W278 PolarHBondContact O-N 3.41Å; V275-K279 HydrophobicContact CG1-CD 4.31Å; V275-K279 HydrophobicContact CG1-CG 4.35Å; V275-K279 WeakPolarHBondContact O-CB 3.45Å; V275-K279 WeakPolarHBondContact O-CG 3.38Å; V275-K279 PolarHBondContact O-N 2.8Å
276A87.7Confident86.1Confident57 Ų5750.5 Ų50.547%0.47127%0.266SS..Hα-helixtrans-60.8-42.3175.300000111.8V272 H273 L274 K279 S280V272-A276 PolarHBondContact O-N 2.88Å; H273-A276 PolarHBondContact O-N 2.85Å; L274-A276 VanDerWaalsContact C-N 3.32Å; L274-A276 PolarHBondContact O-N 2.86Å; A276-K279 PolarHBondContact O-N 2.86Å; A276-S280 PolarHBondContact O-N 3.31Å; A276-S280 VanDerWaalsContact O-N 3.07Å
277L90.1Very high87.7Confident47 Ų4743.8 Ų43.825%0.24623%0.234CC..Hα-helixtrans-62.1-47.7176.6-175.360.1000111.3E225 H273 L274 V275 S280 R281E225-L277 HydrophobicContact CB-CD2 4.46Å; E225-L277 HydrophobicContact CG-CD2 3.73Å; E225-L277 VanDerWaalsContact OE1-CD2 3.29Å; E225-L277 WeakPolarHBondContact OE1-CD2 3.26Å; H273-L277 WeakPolarHBondContact O-CB 3.3Å; H273-L277 PolarHBondContact O-N 2.8Å; L274-L277 WeakPolarHBondContact O-CB 3.35Å; L274-L277 PolarHBondContact O-N 2.78Å; L274-L277 VanDerWaalsContact O-N 3.17Å; V275-L277 VanDerWaalsContact C-N 3.32Å; V275-L277 PolarHBondContact O-N 2.95Å; L277-S280 WeakPolarHBondContact O-CB 3.36Å; L277-S280 PolarHBondContact O-N 3.07Å; L277-S280 PolarHBondContact O-OG 2.91Å; L277-R281 PolarHBondContact O-N 3.43Å
278W91.6Very high88.8Confident0 Ų035.1 Ų35.10%020%0.2CC..Hα-helixtrans-67.4-39.2178.6-72.92.2000113.1L44 I211 L224 E225 L228 I251 L253 L274 V275 S280 R281 A282L44-W278 HydrophobicContact CD1-CB 4.32Å; L44-W278 HydrophobicContact CD1-CE3 3.85Å; L44-W278 HydrophobicContact CD2-CB 3.94Å; I211-W278 HydrophobicContact CD1-CH2 4.04Å; I211-W278 HydrophobicContact CG2-CH2 3.7Å; I211-W278 HydrophobicContact CG2-CZ3 3.55Å; L224-W278 HydrophobicContact CB-CH2 4.39Å; L224-W278 HydrophobicContact CB-CZ2 4.07Å; E225-W278 PolarHBondContact OE2-NE1 2.94Å; L228-W278 HydrophobicContact CB-CZ2 4.35Å; L228-W278 HydrophobicContact CD2-CD2 4.12Å; L228-W278 HydrophobicContact CD2-CG 3.86Å; I251-W278 HydrophobicContact CD1-CH2 4.35Å; I251-W278 HydrophobicContact CD1-CZ3 4.43Å; I251-W278 HydrophobicContact CG2-CE3 4.23Å; I251-W278 HydrophobicContact CG2-CH2 4.25Å; I251-W278 HydrophobicContact CG2-CZ3 3.65Å; L253-W278 HydrophobicContact CD1-CZ3 4.39Å; L274-W278 HydrophobicContact CD1-CD2 4.11Å; L274-W278 HydrophobicContact CD1-CG 4.34Å; L274-W278 HydrophobicContact CD1-CZ2 3.86Å; L274-W278 VanDerWaalsContact CD1-NE1 3.31Å; L274-W278 HydrophobicContact CD2-CH2 4.06Å; L274-W278 HydrophobicContact CD2-CZ2 4Å; L274-W278 HydrophobicContact CD2-CZ3 4.46Å; L274-W278 HydrophobicContact CG-CD2 4.17Å; L274-W278 HydrophobicContact CG-CH2 4.49Å; L274-W278 HydrophobicContact CG-CZ2 4.15Å; L274-W278 PolarHBondContact O-N 2.84Å; V275-W278 PolarHBondContact O-N 3.41Å; W278-S280 PolarHBondContact O-N 3.17Å; W278-R281 PolarHBondContact O-N 2.81Å; W278-A282 VanDerWaalsContact O-CB 3.31Å; W278-A282 WeakPolarHBondContact O-CB 3.35Å; W278-A282 PolarHBondContact O-N 3.22Å
279K89.7Confident89.3Confident63 Ų6334.3 Ų34.327%0.27420%0.195SC..Hα-helixtrans-55.8-39.5170.9-79-173.8175.7-168.90111.5L44 L46 V275 A276 R281 T285 E287L44-K279 HydrophobicContact CD2-CG 3.76Å; L46-K279 HydrophobicContact CD1-CD 4.32Å; L46-K279 HydrophobicContact CD1-CG 4.35Å; V275-K279 HydrophobicContact CG1-CD 4.31Å; V275-K279 HydrophobicContact CG1-CG 4.35Å; V275-K279 WeakPolarHBondContact O-CB 3.45Å; V275-K279 WeakPolarHBondContact O-CG 3.38Å; V275-K279 PolarHBondContact O-N 2.8Å; A276-K279 PolarHBondContact O-N 2.86Å; K279-R281 VanDerWaalsContact C-N 3.3Å; K279-R281 PolarHBondContact O-N 2.81Å; K279-T285 HydrophobicContact CG-CG2 4.15Å; K279-E287 IonicContact NZ-OE2 2.66Å; K279-E287 PolarHBondContact NZ-OE2 3.17Å
280S85.2Confident89.4Confident58 Ų5832.4 Ų32.441%0.40618%0.183SC..Hα-helixtrans-68.9-26.6178.483.30000113.7A276 L277 W278 R308A276-S280 PolarHBondContact O-N 3.31Å; A276-S280 VanDerWaalsContact O-N 3.07Å; L277-S280 WeakPolarHBondContact O-CB 3.36Å; L277-S280 PolarHBondContact O-N 3.07Å; L277-S280 PolarHBondContact O-OG 2.91Å; W278-S280 PolarHBondContact O-N 3.17Å; S280-R308 PolarHBondContact O-NH1 2.95Å
281R85.6Confident89.1Confident75 Ų7532.7 Ų32.728%0.28318%0.178SC..Hα-helixtrans-89.1-30.8177.8-65.8-176.9-174.4-70.90.3112.7L42 E225 Y233 L277 W278 K279 S283L42-R281 HydrophobicContact CD2-CB 4.02Å; E225-R281 IonicContact OE1-CZ 3.69Å; E225-R281 IonicContact OE1-NE 3.67Å; E225-R281 PolarHBondContact OE1-NE 3.07Å; E225-R281 IonicContact OE1-NH2 2.79Å; E225-R281 PolarHBondContact OE1-NH2 2.91Å; E225-R281 IonicContact OE2-NE 3.07Å; Y233-R281 PolarHBondContact OH-NH1 3.5Å; L277-R281 PolarHBondContact O-N 3.43Å; W278-R281 PolarHBondContact O-N 2.81Å; K279-R281 VanDerWaalsContact C-N 3.3Å; K279-R281 PolarHBondContact O-N 2.81Å; R281-S283 PolarHBondContact O-N 3.23Å
282A88.8Confident88.3Confident4 Ų440.5 Ų40.53%0.03322%0.219CC..  trans-62.7132.1-174.500000111.2L42 L44 W278 I284L42-A282 HydrophobicContact CD2-CB 4.07Å; L42-A282 HydrophobicContact CG-CB 4.06Å; L42-A282 CarbonylContact O-C 3.57Å; L44-A282 HydrophobicContact CB-CB 3.91Å; W278-A282 VanDerWaalsContact O-CB 3.31Å; W278-A282 WeakPolarHBondContact O-CB 3.35Å; W278-A282 PolarHBondContact O-N 3.22Å; A282-I284 VanDerWaalsContact C-N 3.26Å; A282-I284 WeakPolarHBondContact CB-O 3.42Å
283S87.9Confident87.2Confident36 Ų3642.3 Ų42.325%0.25223%0.23SC..SBendtrans-68.5-35.8169.1-46.20000109.8L42 R281 R308L42-S283 PolarHBondContact N-OG 3.12Å; L42-S283 PolarHBondContact O-N 2.91Å; R281-S283 PolarHBondContact O-N 3.23Å; S283-R308 PolarHBondContact O-N 3.04Å
284I90.5Very high85.6Confident6 Ų640 Ų403%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-135.9134.7178.8-63.6153.6000108.9L10 L11 L42 C43 L44 A282 L286 W306L10-I284 HydrophobicContact CB-CD1 4Å; L10-I284 HydrophobicContact CB-CG1 4.32Å; L10-I284 HydrophobicContact CB-CG2 4.46Å; L10-I284 HydrophobicContact CD1-CG2 4.41Å; L10-I284 WeakPolarHBondContact O-CD1 3.12Å; L11-I284 HydrophobicContact CB-CD1 4.35Å; L11-I284 HydrophobicContact CD2-CD1 3.45Å; L11-I284 VanDerWaalsContact CD2-CD1 3.45Å; L11-I284 HydrophobicContact CG-CD1 3.87Å; L42-I284 PolarHBondContact O-N 3.46Å; C43-I284 WeakPolarHBondContact CA-O 3.4Å; L44-I284 PolarHBondContact N-O 2.86Å; A282-I284 VanDerWaalsContact C-N 3.26Å; A282-I284 WeakPolarHBondContact CB-O 3.42Å; I284-L286 HydrophobicContact CG2-CD2 4.1Å; I284-L286 HydrophobicContact CG2-CG 4.26Å; I284-W306 CarbonylContact C-O 3.5Å; I284-W306 VanDerWaalsContact CA-O 3.28Å; I284-W306 WeakPolarHBondContact CA-O 3.43Å
285T93.1Very high84Confident7 Ų749.8 Ų49.84%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-117.3134.3166.8-58.40000109L44 L46 K279 C305 W306L44-T285 HydrophobicContact CB-CG2 4.48Å; L44-T285 HydrophobicContact CD2-CG2 4.34Å; L44-T285 CarbonylContact O-C 3.54Å; L44-T285 WeakPolarHBondContact O-CA 3.41Å; L46-T285 HydrophobicContact CD1-CG2 4.22Å; K279-T285 HydrophobicContact CG-CG2 4.15Å; T285-C305 CarbonylContact O-C 3.55Å; T285-C305 WeakPolarHBondContact O-CA 3.18Å; T285-W306 HydrophobicContact CG2-CE3 3.7Å; T285-W306 HydrophobicContact CG2-CZ3 3.95Å; T285-W306 PolarHBondContact N-O 2.88Å; T285-W306 PolarHBondContact O-N 3.2Å
286L95.2Very high82.9Confident0 Ų051.3 Ų51.30%029%0.287CS..EExtended strand (participates in β ladder)trans-115.3119.3171.1-56.3173.2000106.9F3 L7 L10 L44 L45 L46 I284 L303 C305F3-L286 HydrophobicContact CE2-CD2 4.34Å; F3-L286 HydrophobicContact CZ-CD1 3.92Å; F3-L286 HydrophobicContact CZ-CD2 4.42Å; L7-L286 HydrophobicContact CD1-CD1 3.9Å; L7-L286 HydrophobicContact CD1-CD2 4.32Å; L10-L286 HydrophobicContact CD1-CD2 4.15Å; L44-L286 PolarHBondContact O-N 3.37Å; L45-L286 CarbonylContact C-O 3.6Å; L45-L286 WeakPolarHBondContact CA-O 3.17Å; L45-L286 HydrophobicContact CD1-CB 3.79Å; L45-L286 HydrophobicContact CD1-CD1 4.32Å; L46-L286 PolarHBondContact N-O 3Å; I284-L286 HydrophobicContact CG2-CD2 4.1Å; I284-L286 HydrophobicContact CG2-CG 4.26Å; L286-L303 HydrophobicContact CB-CD1 4.36Å; L286-C305 HydrophobicContact CD2-CB 4.3Å
287E93.8Very high82Confident6 Ų654 Ų543%0.02830%0.302CS..EExtended strand (participates in β ladder)trans-119.9116.3175.9-172.6172.4152.200109L46 H48 Q260 K279 K289 L303 T304 W306L46-E287 HydrophobicContact CB-CB 4.29Å; L46-E287 HydrophobicContact CB-CG 4.15Å; L46-E287 CarbonylContact O-C 3.54Å; L46-E287 VanDerWaalsContact O-CA 3.27Å; L46-E287 WeakPolarHBondContact O-CA 3.35Å; H48-E287 IonicContact NE2-OE1 3.37Å; H48-E287 PolarHBondContact NE2-OE1 3.49Å; Q260-E287 PolarHBondContact NE2-OE1 2.86Å; Q260-E287 PolarHBondContact OE1-OE1 2.64Å; K279-E287 IonicContact NZ-OE2 2.66Å; K279-E287 PolarHBondContact NZ-OE2 3.17Å; E287-K289 WeakPolarHBondContact OE1-CE 3.27Å; E287-K289 IonicContact OE1-NZ 2.71Å; E287-K289 PolarHBondContact OE1-NZ 2.97Å; E287-L303 CarbonylContact O-C 3.58Å; E287-L303 WeakPolarHBondContact O-CA 3.47Å; E287-T304 PolarHBondContact N-O 3.14Å; E287-T304 PolarHBondContact O-N 2.64Å; E287-W306 HydrophobicContact CB-CH2 3.48Å; E287-W306 VanDerWaalsContact CB-CH2 3.48Å; E287-W306 HydrophobicContact CB-CZ3 3.25Å; E287-W306 HydrophobicContact CG-CH2 4.16Å; E287-W306 HydrophobicContact CG-CZ3 4.34Å; E287-W306 WeakPolarHBondContact OE2-CH2 3.48Å
288C92.5Very high81.5Confident0 Ų054.7 Ų54.70%031%0.306CS..EExtended strand (participates in β ladder)trans-108.3129.9176.958.10000110.2L46 S47 H48 A51 F56 Q302 L303 F327L46-C288 PolarHBondContact O-N 3.44Å; L46-C288 PolarHBondContact O-SG 2.7Å; L46-C288 VanDerWaalsContact O-SG 3.36Å; S47-C288 WeakPolarHBondContact CA-O 3.12Å; S47-C288 WeakPolarHBondContact CA-SG 3.15Å; S47-C288 WeakPolarHBondContact CB-SG 3.34Å; H48-C288 PolarHBondContact N-O 2.71Å; A51-C288 HydrophobicContact CB-CB 4.38Å; F56-C288 HydrophobicContact CD2-CB 4.14Å; F56-C288 HydrophobicContact CE2-CB 3.8Å; F56-C288 HydrophobicContact CZ-CB 4.27Å; C288-Q302 WeakPolarHBondContact CA-O 3.49Å; C288-L303 HydrophobicContact CB-CD1 4.46Å; C288-F327 HydrophobicContact CB-CE1 4.08Å; C288-F327 HydrophobicContact CB-CZ 4.43Å
289K90.2Very high81.2Confident62 Ų6255.3 Ų55.327%0.2731%0.31SS..EExtended strand (participates in β ladder)trans-129.1143.9179.7-67.9-176176.11690110.4H48 E287 G301 Q302H48-K289 HydrophobicContact CB-CG 4Å; H48-K289 WeakPolarHBondContact NE2-CE 3.32Å; E287-K289 WeakPolarHBondContact OE1-CE 3.27Å; E287-K289 IonicContact OE1-NZ 2.71Å; E287-K289 PolarHBondContact OE1-NZ 2.97Å; K289-G301 CarbonylContact O-C 3.55Å; K289-G301 WeakPolarHBondContact O-CA 3.44Å; K289-Q302 PolarHBondContact N-O 2.98Å; K289-Q302 PolarHBondContact O-N 3.02Å
290P85.4Confident81.1Confident38 Ų3855.5 Ų55.525%0.24731%0.314CS..EExtended strand (participates in β ladder)trans-63.6153.3164.729.6-34.3000109.8H48 L292H48-P290 VanDerWaalsContact O-CD 3.32Å; H48-P290 WeakPolarHBondContact O-CD 3.33Å; P290-L292 PolarHBondContact O-N 3.4Å
291L80.1Confident81.3Confident51 Ų5152.8 Ų52.827%0.26729%0.294SS..  trans-75.2123.3171.2-76176.8000110T293 V299 Q302L291-T293 PolarHBondContact O-N 3.48Å; L291-V299 HydrophobicContact CD1-CB 3.77Å; L291-V299 HydrophobicContact CD1-CG1 3.38Å; L291-V299 HydrophobicContact CG-CG1 4.26Å; L291-Q302 HydrophobicContact CD2-CB 4.39Å
292L69.5Low81.6Confident172 Ų17252.3 Ų52.390%0.90130%0.295SS*.SBendtrans-69.4-21.4176-68170.5000112.9P290P290-L292 PolarHBondContact O-N 3.4Å
293T65Low81.8Confident81 Ų8152.1 Ų52.150%0.49729%0.294SS..SBendtrans-128.4104.9-17950.10000109.7L291 Y295L291-T293 PolarHBondContact O-N 3.48Å; T293-Y295 WeakPolarHBondContact O-CD2 3.31Å; T293-Y295 PolarHBondContact O-N 3.38Å; T293-Y295 WeakPolarHBondContact OG1-CE2 3.11Å
294G54.6Low82Confident72 Ų7251.2 Ų51.274%0.74229%0.287SS*.  trans-81.168.2-171.800000113.9T296G294-T296 PolarHBondContact O-N 3.19Å
295Y56.1Low82.1Confident204 Ų20451 Ų5180%0.829%0.286SS*.SBendtrans-66.4-14.3176.5-67.4-76.2000113.7T293T293-Y295 WeakPolarHBondContact O-CD2 3.31Å; T293-Y295 PolarHBondContact O-N 3.38Å; T293-Y295 WeakPolarHBondContact OG1-CE2 3.11Å
296T67.7Low82Confident39 Ų3953.7 Ų53.724%0.23930%0.295CS..  trans-155.9143.7178.6178.10000110.8G294 L298 V299G294-T296 PolarHBondContact O-N 3.19Å; T296-L298 HydrophobicContact CG2-CB 4.46Å; T296-L298 PolarHBondContact O-N 3.02Å; T296-L298 VanDerWaalsContact OG1-CB 3.3Å; T296-L298 WeakPolarHBondContact OG1-CB 3.48Å; T296-L298 WeakPolarHBondContact OG1-CG 3.39Å; T296-L298 PolarHBondContact OG1-N 3.25Å; T296-L298 VanDerWaalsContact OG1-N 3.07Å; T296-V299 HydrophobicContact CG2-CB 4.11Å; T296-V299 HydrophobicContact CG2-CG2 3.65Å
297S69.8Low81.5Confident113 Ų11356.3 Ų56.379%0.7931%0.307SS*.THydrogen-bonded Turntrans-75.2-2.4169.556.10000112.9
298L78.3Confident80.8Confident61 Ų6160.5 Ų60.532%0.31932%0.323SS..THydrogen-bonded Turntrans-89.7-0.1-177-59.7172.7000113.5T296 H328 L344 T346T296-L298 HydrophobicContact CG2-CB 4.46Å; T296-L298 PolarHBondContact O-N 3.02Å; T296-L298 VanDerWaalsContact OG1-CB 3.3Å; T296-L298 WeakPolarHBondContact OG1-CB 3.48Å; T296-L298 WeakPolarHBondContact OG1-CG 3.39Å; T296-L298 PolarHBondContact OG1-N 3.25Å; T296-L298 VanDerWaalsContact OG1-N 3.07Å; L298-H328 WeakPolarHBondContact O-CB 3.45Å; L298-L344 HydrophobicContact CB-CD2 4.28Å; L298-T346 WeakPolarHBondContact CD1-OXT 3.37Å
299V85.4Confident79.5Confident13 Ų1362.5 Ų62.58%0.07934%0.336CS..  trans-131.2122.3-179.2-176.50000109.1L291 T296 G301 H326 F327 L344L291-V299 HydrophobicContact CD1-CB 3.77Å; L291-V299 HydrophobicContact CD1-CG1 3.38Å; L291-V299 HydrophobicContact CG-CG1 4.26Å; T296-V299 HydrophobicContact CG2-CB 4.11Å; T296-V299 HydrophobicContact CG2-CG2 3.65Å; V299-G301 WeakPolarHBondContact CG1-O 3.45Å; V299-H326 HydrophobicContact CG1-CB 3.76Å; V299-H326 HydrophobicContact CG2-CB 4.48Å; V299-F327 WeakPolarHBondContact CG1-O 3.39Å; V299-L344 HydrophobicContact CG2-CB 4.39Å; V299-L344 HydrophobicContact CG2-CD1 3.57Å; V299-L344 HydrophobicContact CG2-CD2 3.71Å; V299-L344 HydrophobicContact CG2-CG 4.08Å
300D87.6Confident78Confident68 Ų6865.7 Ų65.736%0.36436%0.361SS..  trans-85.9-26.5-179.7-60.1-59.1000111.9F327 H328 V329D300-F327 HydrophobicContact CB-CD2 4.13Å; D300-F327 HydrophobicContact CB-CE2 3.77Å; D300-F327 PolarHBondContact N-O 3.3Å; D300-H328 VanDerWaalsContact OD2-CA 3.24Å; D300-H328 WeakPolarHBondContact OD2-CA 3.3Å; D300-H328 IonicContact OD2-CE1 3.12Å; D300-H328 IonicContact OD2-CG 2.66Å; D300-H328 IonicContact OD2-ND1 3.16Å; D300-H328 PolarHBondContact OD2-ND1 2.88Å; D300-V329 PolarHBondContact OD2-N 3.07Å
301G90.4Very high76.1Confident0 Ų071.8 Ų71.80%039%0.386CS..EExtended strand (participates in β ladder)trans-178.6-169.6-179.700000115.8K289 V299 H326 F327K289-G301 CarbonylContact O-C 3.55Å; K289-G301 WeakPolarHBondContact O-CA 3.44Å; V299-G301 WeakPolarHBondContact CG1-O 3.45Å; G301-H326 CarbonylContact O-C 3.46Å; G301-H326 WeakPolarHBondContact O-CA 2.89Å; G301-F327 VanDerWaalsContact CA-CE1 3.43Å; G301-F327 PolarHBondContact N-O 2.94Å; G301-F327 WeakPolarHBondContact O-CD1 3.41Å; G301-F327 PolarHBondContact O-N 3.03Å
302Q90.9Very high74Confident65 Ų6573.6 Ų73.630%0.30440%0.396SS..EExtended strand (participates in β ladder)trans-115.8130.3174.6-178.5-178.5-31.100110C288 K289 L291 T304 T324 Y325C288-Q302 WeakPolarHBondContact CA-O 3.49Å; K289-Q302 PolarHBondContact N-O 2.98Å; K289-Q302 PolarHBondContact O-N 3.02Å; L291-Q302 HydrophobicContact CD2-CB 4.39Å; Q302-T304 PolarHBondContact NE2-OG1 3.33Å; Q302-T324 HydrophobicContact CG-CG2 3.64Å; Q302-Y325 CarbonylContact C-O 3.59Å; Q302-Y325 WeakPolarHBondContact CA-O 3.41Å
303L93.2Very high72.7Confident0 Ų075.2 Ų75.20%040%0.396CS..EExtended strand (participates in β ladder)trans-105.3126.9170.7173.870.5000108.2F3 F56 L286 E287 C288 T324 Y325 F327F3-L303 HydrophobicContact CD2-CD2 3.52Å; F3-L303 HydrophobicContact CE2-CD2 3.56Å; F56-L303 HydrophobicContact CD1-CD1 4.32Å; F56-L303 HydrophobicContact CE1-CD1 3.83Å; F56-L303 HydrophobicContact CE1-CD2 3.95Å; F56-L303 HydrophobicContact CE1-CG 4.34Å; F56-L303 HydrophobicContact CZ-CD1 4.29Å; L286-L303 HydrophobicContact CB-CD1 4.36Å; E287-L303 CarbonylContact O-C 3.58Å; E287-L303 WeakPolarHBondContact O-CA 3.47Å; C288-L303 HydrophobicContact CB-CD1 4.46Å; L303-T324 CarbonylContact O-C 3.57Å; L303-T324 WeakPolarHBondContact O-CA 3.29Å; L303-Y325 HydrophobicContact CD2-CD2 4.44Å; L303-Y325 PolarHBondContact N-O 2.89Å; L303-Y325 PolarHBondContact O-N 3.45Å; L303-F327 HydrophobicContact CB-CD1 3.95Å
304T92.3Very high71.6Confident17 Ų1779.3 Ų79.310%0.10441%0.413CS..EExtended strand (participates in β ladder)trans-114126.4167.5-51.40000108.9E287 Q302 W306 S323E287-T304 PolarHBondContact N-O 3.14Å; E287-T304 PolarHBondContact O-N 2.64Å; Q302-T304 PolarHBondContact NE2-OG1 3.33Å; T304-W306 HydrophobicContact CG2-CD2 4.03Å; T304-W306 HydrophobicContact CG2-CE3 4.12Å; T304-W306 HydrophobicContact CG2-CH2 3.37Å; T304-W306 HydrophobicContact CG2-CZ2 3.25Å; T304-W306 HydrophobicContact CG2-CZ3 3.8Å; T304-W306 WeakPolarHBondContact O-CZ3 3.35Å; T304-S323 WeakPolarHBondContact CA-O 3.03Å
305C92.9Very high70.7Confident2 Ų277.8 Ų77.81%0.01439%0.391CS..EExtended strand (participates in β ladder)trans-108.2126.5177.7-58.60000108.4L10 T285 L286 S322 S323L10-C305 HydrophobicContact CD1-CB 3.77Å; T285-C305 CarbonylContact O-C 3.55Å; T285-C305 WeakPolarHBondContact O-CA 3.18Å; L286-C305 HydrophobicContact CD2-CB 4.3Å; C305-S322 CarbonylContact O-C 3.54Å; C305-S322 VanDerWaalsContact O-CA 3.28Å; C305-S322 WeakPolarHBondContact O-CA 3.34Å; C305-S323 PolarHBondContact N-O 3.44Å; C305-S323 PolarHBondContact O-N 3.37Å
306W90.3Very high69.8Low63 Ų6376.4 Ų76.424%0.23940%0.396CS..EExtended strand (participates in β ladder)trans-112.3138.1168.7-60-98.5000109.7I284 T285 E287 T304 T321I284-W306 CarbonylContact C-O 3.5Å; I284-W306 VanDerWaalsContact CA-O 3.28Å; I284-W306 WeakPolarHBondContact CA-O 3.43Å; T285-W306 HydrophobicContact CG2-CE3 3.7Å; T285-W306 HydrophobicContact CG2-CZ3 3.95Å; T285-W306 PolarHBondContact N-O 2.88Å; T285-W306 PolarHBondContact O-N 3.2Å; E287-W306 HydrophobicContact CB-CH2 3.48Å; E287-W306 VanDerWaalsContact CB-CH2 3.48Å; E287-W306 HydrophobicContact CB-CZ3 3.25Å; E287-W306 HydrophobicContact CG-CH2 4.16Å; E287-W306 HydrophobicContact CG-CZ3 4.34Å; E287-W306 WeakPolarHBondContact OE2-CH2 3.48Å; T304-W306 HydrophobicContact CG2-CD2 4.03Å; T304-W306 HydrophobicContact CG2-CE3 4.12Å; T304-W306 HydrophobicContact CG2-CH2 3.37Å; T304-W306 HydrophobicContact CG2-CZ2 3.25Å; T304-W306 HydrophobicContact CG2-CZ3 3.8Å; T304-W306 WeakPolarHBondContact O-CZ3 3.35Å; W306-T321 VanDerWaalsContact CA-O 3.32Å; W306-T321 WeakPolarHBondContact CA-O 3.18Å
307K86.5Confident68.4Low56 Ų5682.1 Ų82.124%0.24342%0.421CS..EExtended strand (participates in β ladder)trans-124.6128.7171.4-177.1178177.8179.30109.4L10 T320 T321L10-K307 HydrophobicContact CD2-CB 3.98Å; L10-K307 HydrophobicContact CD2-CD 4.11Å; K307-T320 WeakPolarHBondContact O-CA 3.43Å; K307-T321 PolarHBondContact N-O 3.47Å; K307-T321 PolarHBondContact O-N 3.47Å; K307-T321 PolarHBondContact O-OG1 2.78Å
308R78.2Confident67.4Low94 Ų9480 Ų8036%0.35540%0.4SS..EExtended strand (participates in β ladder)trans-75.1127172.7-170.4173.1-177.7176-1.9109.2S280 S283 N318S280-R308 PolarHBondContact O-NH1 2.95Å; S283-R308 PolarHBondContact O-N 3.04Å; R308-N318 PolarHBondContact NE-OD1 3.42Å; R308-N318 PolarHBondContact NH2-ND2 2.93Å; R308-N318 PolarHBondContact NH2-OD1 3.38Å
309S64.9Low66.1Low41 Ų4181 Ų8129%0.28741%0.409SS..  trans-64.5135.1171.5-177.20000110.2E311 V319S309-E311 VanDerWaalsContact C-N 3.3Å; S309-E311 WeakPolarHBondContact OG-CB 3.47Å; S309-E311 PolarHBondContact OG-N 3.14Å; S309-E311 VanDerWaalsContact OG-N 3.14Å; S309-V319 WeakPolarHBondContact CB-O 3.32Å; S309-V319 PolarHBondContact N-O 2.93Å
310T58.3Low65.1Low129 Ų12984.4 Ų84.479%0.79143%0.43SS*.SBendtrans-86.2-3.1171.948.10000112.4D312T310-D312 PolarHBondContact O-N 3.46Å
311E47.1Very low64.5Low167 Ų16785 Ų8578%0.7844%0.436SS*.SBendtrans-83.7-2.4-165.4-68.1-176.816100115.4S309S309-E311 VanDerWaalsContact C-N 3.3Å; S309-E311 WeakPolarHBondContact OG-CB 3.47Å; S309-E311 PolarHBondContact OG-N 3.14Å; S309-E311 VanDerWaalsContact OG-N 3.14Å
312D35.8Very low64.3Low88 Ų8888.4 Ų88.447%0.47146%0.46SS..  trans-131.690.6176.5-91.7-32.5000112T310 I314 S315T310-D312 PolarHBondContact O-N 3.46Å; D312-I314 PolarHBondContact O-N 3.02Å; D312-S315 WeakPolarHBondContact CB-OG 3.28Å; D312-S315 PolarHBondContact OD2-OG 3.47Å
313K41.7Very low64.2Low206 Ų20687.8 Ų87.890%0.89646%0.463SS*.SBendtrans-71.6-11.9161.3-80.1-171.9176.3-177.40112.5
314I41.1Very low64.2Low168 Ų16890 Ų9086%0.86248%0.477SS*.SBendtrans-113.3-22.2-168.5-57.2175000111.9D312D312-I314 PolarHBondContact O-N 3.02Å
315S35.9Very low64.1Low39 Ų3990.9 Ų90.927%0.27348%0.478SS..  trans-107.2119.4174.1100.80000109.6D312 Q317D312-S315 WeakPolarHBondContact CB-OG 3.28Å; D312-S315 PolarHBondContact OD2-OG 3.47Å; S315-Q317 PolarHBondContact O-N 2.95Å
316L38.4Very low64Low175 Ų17592.8 Ų92.892%0.91649%0.487SS*.  trans-67.79.1172.5-93.5149.3000112.8N318L316-N318 PolarHBondContact O-N 2.77Å
317Q37.5Very low64Low160 Ų16089.8 Ų89.875%0.74848%0.475SS*.  trans-8988.8172.3-70.7-172.2-2.700108.3S315 V319S315-Q317 PolarHBondContact O-N 2.95Å; Q317-V319 VanDerWaalsContact C-N 3.33Å; Q317-V319 PolarHBondContact O-N 3.46Å
318N49.3Very low64.2Low67 Ų6789.3 Ų89.336%0.35847%0.474SS..  trans-57.495.4171.1-69.2-33.8000109.6R308 L316 T320R308-N318 PolarHBondContact NE-OD1 3.42Å; R308-N318 PolarHBondContact NH2-ND2 2.93Å; R308-N318 PolarHBondContact NH2-OD1 3.38Å; L316-N318 PolarHBondContact O-N 2.77Å; N318-T320 PolarHBondContact O-N 2.66Å
319V50.4Low64.7Low84 Ų8486.2 Ų86.251%0.50947%0.465SS..  trans-65.5104.8167.9-175.30000106.3S309 Q317S309-V319 WeakPolarHBondContact CB-O 3.32Å; S309-V319 PolarHBondContact N-O 2.93Å; Q317-V319 VanDerWaalsContact C-N 3.33Å; Q317-V319 PolarHBondContact O-N 3.46Å
320T64Low65.8Low84 Ų8490.3 Ų90.352%0.51548%0.48SS..EExtended strand (participates in β ladder)trans-97.4117.9174.442.10000107.4K307 N318K307-T320 WeakPolarHBondContact O-CA 3.43Å; N318-T320 PolarHBondContact O-N 2.66Å
321T75.7Confident67.1Low80 Ų8087.4 Ų87.449%0.49148%0.476SS..EExtended strand (participates in β ladder)trans-83.1128.5168.649.80000107.2W306 K307W306-T321 VanDerWaalsContact CA-O 3.32Å; W306-T321 WeakPolarHBondContact CA-O 3.18Å; K307-T321 PolarHBondContact N-O 3.47Å; K307-T321 PolarHBondContact O-N 3.47Å; K307-T321 PolarHBondContact O-OG1 2.78Å
322S85.3Confident68.9Low72 Ų7285 Ų8550%0.50346%0.462SS..EExtended strand (participates in β ladder)trans-109.8143171.875.60000110.1C305C305-S322 CarbonylContact O-C 3.54Å; C305-S322 VanDerWaalsContact O-CA 3.28Å; C305-S322 WeakPolarHBondContact O-CA 3.34Å
323S90.5Very high71.3Confident52 Ų5286.3 Ų86.336%0.36447%0.465SS..EExtended strand (participates in β ladder)trans-134.7131.3171.4-64.20000108.2T304 C305T304-S323 WeakPolarHBondContact CA-O 3.03Å; C305-S323 PolarHBondContact N-O 3.44Å; C305-S323 PolarHBondContact O-N 3.37Å
324T91.3Very high73.6Confident47 Ų4776.8 Ų76.829%0.28842%0.424SS..EExtended strand (participates in β ladder)trans-114.6134-177.8-620000109.5Q302 L303 P339Q302-T324 HydrophobicContact CG-CG2 3.64Å; L303-T324 CarbonylContact O-C 3.57Å; L303-T324 WeakPolarHBondContact O-CA 3.29Å; T324-P339 HydrophobicContact CG2-CG 4.13Å; T324-P339 WeakPolarHBondContact O-CD 3.39Å
325Y91.1Very high76Confident34 Ų3470.6 Ų70.613%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-130.6146.8177.5-56.1-78.6000109.9M1 I6 Q302 L303 C336 Y337M1-Y325 HydrophobicContact CE-CD1 4.18Å; M1-Y325 HydrophobicContact CE-CE1 3.61Å; I6-Y325 HydrophobicContact CD1-CD1 4.3Å; I6-Y325 HydrophobicContact CD1-CD2 4.07Å; I6-Y325 HydrophobicContact CD1-CE1 4.12Å; I6-Y325 HydrophobicContact CD1-CE2 3.86Å; I6-Y325 HydrophobicContact CD1-CG 4.27Å; I6-Y325 HydrophobicContact CG1-CE2 4.39Å; I6-Y325 HydrophobicContact CG2-CE2 4.04Å; Q302-Y325 CarbonylContact C-O 3.59Å; Q302-Y325 WeakPolarHBondContact CA-O 3.41Å; L303-Y325 HydrophobicContact CD2-CD2 4.44Å; L303-Y325 PolarHBondContact N-O 2.89Å; L303-Y325 PolarHBondContact O-N 3.45Å; Y325-C336 HydrophobicContact CD1-CB 4.31Å; Y325-C336 HydrophobicContact CG-CB 4.1Å; Y325-Y337 CarbonylContact C-O 3.53Å; Y325-Y337 VanDerWaalsContact CA-O 3.26Å; Y325-Y337 WeakPolarHBondContact CA-O 3.49Å
326H90.8Very high78.5Confident42 Ų4268.7 Ų68.719%0.19438%0.38CS..EExtended strand (participates in β ladder)trans-79.9144.5155.2-68.7170.8000108.5V299 G301 C336 Y337 L344V299-H326 HydrophobicContact CG1-CB 3.76Å; V299-H326 HydrophobicContact CG2-CB 4.48Å; G301-H326 CarbonylContact O-C 3.46Å; G301-H326 WeakPolarHBondContact O-CA 2.89Å; H326-C336 CarbonylContact O-C 3.57Å; H326-C336 VanDerWaalsContact O-CA 3.31Å; H326-C336 WeakPolarHBondContact O-CA 3.28Å; H326-Y337 PolarHBondContact N-O 3.28Å; H326-Y337 PolarHBondContact O-N 2.69Å; H326-L344 HydrophobicContact CB-CD1 4.26Å
327F91.1Very high80.9Confident1 Ų163 Ų630%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-125.3149.3176.670.7-96.4000112.7F56 C288 V299 D300 G301 L303 V329 I334 N335F56-F327 HydrophobicContact CE2-CD2 4.4Å; F56-F327 HydrophobicContact CE2-CE1 4.29Å; F56-F327 HydrophobicContact CE2-CE2 4.17Å; F56-F327 HydrophobicContact CE2-CZ 4.11Å; F56-F327 HydrophobicContact CZ-CD1 4.01Å; F56-F327 HydrophobicContact CZ-CD2 4.18Å; F56-F327 HydrophobicContact CZ-CE1 4.18Å; F56-F327 HydrophobicContact CZ-CE2 4.37Å; F56-F327 HydrophobicContact CZ-CG 4.01Å; F56-F327 HydrophobicContact CZ-CZ 4.37Å; C288-F327 HydrophobicContact CB-CE1 4.08Å; C288-F327 HydrophobicContact CB-CZ 4.43Å; V299-F327 WeakPolarHBondContact CG1-O 3.39Å; D300-F327 HydrophobicContact CB-CD2 4.13Å; D300-F327 HydrophobicContact CB-CE2 3.77Å; D300-F327 PolarHBondContact N-O 3.3Å; G301-F327 VanDerWaalsContact CA-CE1 3.43Å; G301-F327 PolarHBondContact N-O 2.94Å; G301-F327 WeakPolarHBondContact O-CD1 3.41Å; G301-F327 PolarHBondContact O-N 3.03Å; L303-F327 HydrophobicContact CB-CD1 3.95Å; F327-V329 HydrophobicContact CD2-CG2 4.12Å; F327-V329 HydrophobicContact CE2-CG2 4.23Å; F327-I334 HydrophobicContact CB-CG2 3.93Å; F327-I334 HydrophobicContact CD2-CG2 4.4Å; F327-I334 HydrophobicContact CG-CG2 4.41Å; F327-N335 CarbonylContact C-O 3.58Å; F327-N335 WeakPolarHBondContact CA-O 3.18Å
328H90.3Very high83.2Confident46 Ų4658.7 Ų58.721%0.21333%0.331CS..EExtended strand (participates in β ladder)trans-129.4134.9169.2-179.545.7000109.4L298 D300 N335 Y337L298-H328 WeakPolarHBondContact O-CB 3.45Å; D300-H328 VanDerWaalsContact OD2-CA 3.24Å; D300-H328 WeakPolarHBondContact OD2-CA 3.3Å; D300-H328 IonicContact OD2-CE1 3.12Å; D300-H328 IonicContact OD2-CG 2.66Å; D300-H328 IonicContact OD2-ND1 3.16Å; D300-H328 PolarHBondContact OD2-ND1 2.88Å; H328-N335 PolarHBondContact N-O 3.11Å; H328-N335 PolarHBondContact O-N 3.1Å; H328-Y337 HydrophobicContact CB-CE2 3.99Å
329V88.6Confident84.7Confident29 Ų2958.2 Ų58.218%0.17633%0.332CS..EExtended strand (participates in β ladder)trans-98.1118178.9178.50000109.2V52 L55 D300 F327 H333 I334V52-V329 HydrophobicContact CB-CG2 4.36Å; V52-V329 HydrophobicContact CG2-CG2 4.05Å; L55-V329 HydrophobicContact CD1-CG1 3.32Å; L55-V329 HydrophobicContact CD1-CG2 4.38Å; D300-V329 PolarHBondContact OD2-N 3.07Å; F327-V329 HydrophobicContact CD2-CG2 4.12Å; F327-V329 HydrophobicContact CE2-CG2 4.23Å; V329-H333 WeakPolarHBondContact CA-O 3.35Å; V329-I334 HydrophobicContact CG2-CG1 4.47Å
330E87Confident85.8Confident127 Ų12758 Ų5859%0.59335%0.347SS*.EExtended strand (participates in β ladder)trans-118.598.1175-169.4-179.4-178.700109K332 H333E330-K332 PolarHBondContact O-N 3.41Å; E330-H333 PolarHBondContact N-O 2.93Å; E330-H333 PolarHBondContact O-N 3.09Å
331G85.8Confident86Confident68 Ų6856.4 Ų56.470%0.70134%0.337SS*.THydrogen-bonded Turntrans63.7-105.4-174.300000112.1
332K84.8Confident85Confident115 Ų11557.5 Ų57.550%0.534%0.343SS..THydrogen-bonded Turntrans-103.2-2.4178.2-60-176.8-177.8-175.10113.2K120 L121 E330K120-K332 PolarHBondContact O-NZ 3.27Å; L121-K332 HydrophobicContact CD2-CD 3.7Å; L121-K332 HydrophobicContact CD2-CG 3.83Å; E330-K332 PolarHBondContact O-N 3.41Å
333H86.3Confident83.6Confident116 Ų11661.7 Ų61.754%0.53735%0.353SS..EExtended strand (participates in β ladder)trans-102140.4-173.9-61.3-65.9000110.8V329 E330V329-H333 WeakPolarHBondContact CA-O 3.35Å; E330-H333 PolarHBondContact N-O 2.93Å; E330-H333 PolarHBondContact O-N 3.09Å
334I90.7Very high81.8Confident6 Ų660 Ų603%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-110.6110.7174.9-52.8175.6000107.8F3 L55 F56 F327 V329F3-I334 HydrophobicContact CB-CB 3.74Å; F3-I334 HydrophobicContact CB-CG2 3.88Å; F3-I334 WeakPolarHBondContact CB-O 2.98Å; F3-I334 HydrophobicContact CD1-CB 4.46Å; F3-I334 HydrophobicContact CD1-CD1 3.97Å; F3-I334 HydrophobicContact CG-CB 4.38Å; F3-I334 HydrophobicContact CG-CG2 4.37Å; F3-I334 PolarHBondContact N-O 2.85Å; L55-I334 HydrophobicContact CB-CD1 3.79Å; L55-I334 HydrophobicContact CB-CG1 4.21Å; F56-I334 HydrophobicContact CD1-CD1 3.68Å; F56-I334 HydrophobicContact CD2-CD1 4.01Å; F56-I334 HydrophobicContact CE1-CD1 3.68Å; F56-I334 HydrophobicContact CE1-CG2 3.93Å; F56-I334 HydrophobicContact CE2-CD1 4.02Å; F56-I334 HydrophobicContact CG-CD1 3.83Å; F56-I334 HydrophobicContact CZ-CD1 3.86Å; F56-I334 HydrophobicContact CZ-CG2 3.79Å; F327-I334 HydrophobicContact CB-CG2 3.93Å; F327-I334 HydrophobicContact CD2-CG2 4.4Å; F327-I334 HydrophobicContact CG-CG2 4.41Å; V329-I334 HydrophobicContact CG2-CG1 4.47Å
335N90.4Very high79.7Confident38 Ų3864.4 Ų64.420%0.20336%0.361CS..EExtended strand (participates in β ladder)trans-93.9123.9177.4-69.7-45.1000109.4F327 H328 Y337F327-N335 CarbonylContact C-O 3.58Å; F327-N335 WeakPolarHBondContact CA-O 3.18Å; H328-N335 PolarHBondContact N-O 3.11Å; H328-N335 PolarHBondContact O-N 3.1Å; N335-Y337 HydrophobicContact CB-CE2 4.02Å; N335-Y337 WeakPolarHBondContact O-CE2 3.45Å
336C90.2Very high77.4Confident0 Ų070.4 Ų70.40%040%0.401CS..EExtended strand (participates in β ladder)trans-107.8139.2179.9-66.10000111.9M1 I6 Y325 H326M1-C336 PolarHBondContact N-O 3.16Å; M1-C336 PolarHBondContact O-N 2.8Å; I6-C336 HydrophobicContact CD1-CB 3.54Å; Y325-C336 HydrophobicContact CD1-CB 4.31Å; Y325-C336 HydrophobicContact CG-CB 4.1Å; H326-C336 CarbonylContact O-C 3.57Å; H326-C336 VanDerWaalsContact O-CA 3.31Å; H326-C336 WeakPolarHBondContact O-CA 3.28Å
337Y87.8Confident76.8Confident54 Ų5471.8 Ų71.821%0.21241%0.411CS..EExtended strand (participates in β ladder)trans-129.8139.4-178.5-49.2-85000109.7Y325 H326 H328 N335 L344Y325-Y337 CarbonylContact C-O 3.53Å; Y325-Y337 VanDerWaalsContact CA-O 3.26Å; Y325-Y337 WeakPolarHBondContact CA-O 3.49Å; H326-Y337 PolarHBondContact N-O 3.28Å; H326-Y337 PolarHBondContact O-N 2.69Å; H328-Y337 HydrophobicContact CB-CE2 3.99Å; N335-Y337 HydrophobicContact CB-CE2 4.02Å; N335-Y337 WeakPolarHBondContact O-CE2 3.45Å; Y337-L344 HydrophobicContact CD1-CD2 4.5Å; Y337-L344 HydrophobicContact CD2-CD1 3.99Å; Y337-L344 HydrophobicContact CD2-CD2 3.86Å; Y337-L344 HydrophobicContact CD2-CG 4.27Å; Y337-L344 HydrophobicContact CE1-CD2 4.47Å; Y337-L344 HydrophobicContact CE2-CD2 3.81Å; Y337-L344 HydrophobicContact CG-CD1 3.94Å; Y337-L344 HydrophobicContact CG-CD2 4.2Å; Y337-L344 HydrophobicContact CG-CG 4.19Å
338T86.6Confident76Confident70 Ų7075.5 Ų75.543%0.42943%0.432SS..  trans-66.3136.9171.1-47.50000108.9G340 T341T338-G340 PolarHBondContact O-N 3Å; T338-T341 WeakPolarHBondContact O-CB 3.17Å; T338-T341 PolarHBondContact O-N 2.93Å; T338-T341 VanDerWaalsContact O-N 3.14Å; T338-T341 PolarHBondContact O-OG1 3.41Å
339P81Confident75.2Confident58 Ų5877.2 Ų77.238%0.37745%0.445SS..THydrogen-bonded Turntrans-51.6139.5174.2-27.735.3000111.5T324 T341T324-P339 HydrophobicContact CG2-CG 4.13Å; T324-P339 WeakPolarHBondContact O-CD 3.39Å; P339-T341 VanDerWaalsContact C-N 3.33Å
340G73.6Confident74.4Confident79 Ų7980 Ų8081%0.81446%0.461SS*.THydrogen-bonded Turntrans82.20.4-17700000115.7T338 T342T338-G340 PolarHBondContact O-N 3Å; G340-T342 PolarHBondContact O-N 2.7Å
341T67.4Low73.7Confident50 Ų5077.1 Ų77.131%0.30745%0.452SS..  trans-70.4121.1174.1-49.60000110.3T338 P339 K343 L344T338-T341 WeakPolarHBondContact O-CB 3.17Å; T338-T341 PolarHBondContact O-N 2.93Å; T338-T341 VanDerWaalsContact O-N 3.14Å; T338-T341 PolarHBondContact O-OG1 3.41Å; P339-T341 VanDerWaalsContact C-N 3.33Å; T341-K343 HydrophobicContact CG2-CB 4.1Å; T341-K343 HydrophobicContact CG2-CG 4.14Å; T341-K343 PolarHBondContact O-N 3.07Å; T341-L344 PolarHBondContact O-N 2.98Å
342T54.3Low72.8Confident103 Ų10377.7 Ų77.763%0.63244%0.436SS*.G310 helixtrans-63.3-11.4-178.846.90000115G340 L344 L345G340-T342 PolarHBondContact O-N 2.7Å; T342-L344 PolarHBondContact O-N 3.41Å; T342-L345 HydrophobicContact CG2-CD1 4.44Å; T342-L345 PolarHBondContact O-N 3.28Å
343K55.4Low72Confident161 Ų16175 Ų7570%0.743%0.431SS*.G310 helixtrans-61.2-10.6175.9-72.4-171.3175.5-174.50114.3T341T341-K343 HydrophobicContact CG2-CB 4.1Å; T341-K343 HydrophobicContact CG2-CG 4.14Å; T341-K343 PolarHBondContact O-N 3.07Å
344L53.9Low70.9Confident15 Ų1571.8 Ų71.88%0.07942%0.423CS..G310 helixtrans-101.80.7176.7-65.7167.2000113.3L298 V299 H326 Y337 T341 T342L298-L344 HydrophobicContact CB-CD2 4.28Å; V299-L344 HydrophobicContact CG2-CB 4.39Å; V299-L344 HydrophobicContact CG2-CD1 3.57Å; V299-L344 HydrophobicContact CG2-CD2 3.71Å; V299-L344 HydrophobicContact CG2-CG 4.08Å; H326-L344 HydrophobicContact CB-CD1 4.26Å; Y337-L344 HydrophobicContact CD1-CD2 4.5Å; Y337-L344 HydrophobicContact CD2-CD1 3.99Å; Y337-L344 HydrophobicContact CD2-CD2 3.86Å; Y337-L344 HydrophobicContact CD2-CG 4.27Å; Y337-L344 HydrophobicContact CE1-CD2 4.47Å; Y337-L344 HydrophobicContact CE2-CD2 3.81Å; Y337-L344 HydrophobicContact CG-CD1 3.94Å; Y337-L344 HydrophobicContact CG-CD2 4.2Å; Y337-L344 HydrophobicContact CG-CG 4.19Å; T341-L344 PolarHBondContact O-N 2.98Å; T342-L344 PolarHBondContact O-N 3.41Å
345L47.3Very low69.2Low141 Ų14177.3 Ų77.374%0.73846%0.456SS*.  trans-10616.8-178-70.6170.3000113.2T342T342-L345 HydrophobicContact CG2-CD1 4.44Å; T342-L345 PolarHBondContact O-N 3.28Å
346T43.1Very low67.3Low159 Ų15980.9 Ų80.998%0.97548%0.478SS*.  trans-127.50174.355.30000108.9L298L298-T346 WeakPolarHBondContact CD1-OXT 3.37Å

Retrieved 346 of 346 residues in 243.3 ms (Link to these results)

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