G4VAK6_SCHMA Loading...

NSFL1 cofactor p47

AlphaFold DB , UniProt , Accession G4VAK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 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
1M59Low84.1Confident164 Ų16477 Ų7781%0.80844%0.44SS*.  078.40-80.4-88179.900106.4P3 W29M1-P3 WeakPolarHBondContact O-CD 3.39Å; M1-W29 HydrophobicContact CE-CH2 3.75Å; M1-W29 HydrophobicContact CE-CZ2 3.35Å; M1-W29 HydrophobicContact CG-CH2 4.37Å; M1-W29 HydrophobicContact CG-CZ2 4.41Å; M1-W29 HydrophobicContact SD-CH2 3.15Å; M1-W29 WeakPolarHBondContact SD-CH2 3.39Å; M1-W29 HydrophobicContact SD-CZ2 3.39Å; M1-W29 WeakPolarHBondContact SD-CZ2 3.15Å; M1-W29 HydrophobicContact SD-CZ3 4.1Å
2D72.3Confident84.6Confident109 Ų10977.2 Ų77.258%0.58344%0.437SS*.  trans-87.7111.9179.6-73.2-36.5000108.2S4 V5D2-S4 PolarHBondContact O-N 3.12Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-V5 HydrophobicContact CB-CG2 4.01Å; D2-V5 PolarHBondContact O-N 3.1Å
3P80.7Confident84.8Confident96 Ų9672.5 Ų72.562%0.62341%0.411SS*.Hα-helixtrans-58.9-25.7-177.323.8-33.3000112.3M1 V5 I6 E7M1-P3 WeakPolarHBondContact O-CD 3.39Å; P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 3.06Å; P3-I6 PolarHBondContact O-N 2.66Å; P3-E7 PolarHBondContact O-N 3.45Å; P3-E7 VanDerWaalsContact O-N 3.12Å
4S85.1Confident85.2Confident84 Ų8472.1 Ų72.159%0.58743%0.432SS*.Hα-helixtrans-61.8-30177.1-41.90000113.7D2 N8D2-S4 PolarHBondContact O-N 3.12Å; D2-S4 VanDerWaalsContact O-N 3.1Å; S4-N8 WeakPolarHBondContact O-CB 3.38Å; S4-N8 PolarHBondContact O-N 2.98Å; S4-N8 VanDerWaalsContact O-N 3.09Å
5V88.1Confident85.3Confident36 Ų3668.2 Ų68.222%0.21841%0.408CS..Hα-helixtrans-75.3-38.3-179.4-175.40000110.7D2 P3 N8 F9 L24 C31D2-V5 HydrophobicContact CB-CG2 4.01Å; D2-V5 PolarHBondContact O-N 3.1Å; P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 3.06Å; V5-N8 PolarHBondContact O-N 3.42Å; V5-F9 PolarHBondContact O-N 3.31Å; V5-L24 HydrophobicContact CG1-CD1 4.03Å; V5-L24 HydrophobicContact CG1-CD2 3.82Å; V5-C31 HydrophobicContact CG1-CB 4.05Å
6I89.3Confident85.7Confident12 Ų1268 Ų686%0.06241%0.411CS..Hα-helixtrans-67.3-44.3177.2-58168.1000109.9P3 N8 F9 C10 E17 A20 R21 L24 W29P3-I6 PolarHBondContact O-N 2.66Å; I6-N8 VanDerWaalsContact C-N 3.34Å; I6-N8 PolarHBondContact O-N 3.31Å; I6-F9 PolarHBondContact O-N 3.09Å; I6-C10 WeakPolarHBondContact O-CB 3.49Å; I6-C10 PolarHBondContact O-N 3.04Å; I6-E17 HydrophobicContact CG2-CG 3.69Å; I6-A20 HydrophobicContact CG2-CB 4.12Å; I6-R21 HydrophobicContact CD1-CG 3.77Å; I6-R21 HydrophobicContact CG1-CG 4.34Å; I6-L24 HydrophobicContact CB-CD1 4.35Å; I6-L24 HydrophobicContact CG1-CD1 3.86Å; I6-W29 HydrophobicContact CD1-CH2 4.2Å; I6-W29 HydrophobicContact CD1-CZ3 4.03Å; I6-W29 HydrophobicContact CG1-CH2 4.44Å; I6-W29 HydrophobicContact CG1-CZ3 3.9Å
7E89.4Confident85.9Confident137 Ų13770.3 Ų70.364%0.6442%0.416SS*.Hα-helixtrans-63-39.7177.3-169.1176-171.100112P3 S11P3-E7 PolarHBondContact O-N 3.45Å; P3-E7 VanDerWaalsContact O-N 3.12Å; E7-S11 VanDerWaalsContact O-CB 3.3Å; E7-S11 WeakPolarHBondContact O-CB 3.27Å; E7-S11 PolarHBondContact O-N 3.43Å; E7-S11 PolarHBondContact O-OG 2.7Å
8N88.5Confident86.1Confident83 Ų8374.3 Ų74.344%0.44443%0.434SS..Hα-helixtrans-65.6-44.4175.4-166.536.3000111.9S4 V5 I6 S11 I12S4-N8 WeakPolarHBondContact O-CB 3.38Å; S4-N8 PolarHBondContact O-N 2.98Å; S4-N8 VanDerWaalsContact O-N 3.09Å; V5-N8 PolarHBondContact O-N 3.42Å; I6-N8 VanDerWaalsContact C-N 3.34Å; I6-N8 PolarHBondContact O-N 3.31Å; N8-S11 PolarHBondContact O-N 3.22Å; N8-I12 WeakPolarHBondContact O-CD1 3.47Å; N8-I12 VanDerWaalsContact O-CG1 3.29Å; N8-I12 WeakPolarHBondContact O-CG1 3.3Å; N8-I12 PolarHBondContact O-N 3.09Å; N8-I12 VanDerWaalsContact O-N 3.16Å
9F90.8Very high86.3Confident0 Ų074.6 Ų74.60%043%0.431CS..Hα-helixtrans-61.1-50.6176.1-174-88.5000111.5V5 I6 S11 I12 T13 T15 A20 F23 L24 A34 V35V5-F9 PolarHBondContact O-N 3.31Å; I6-F9 PolarHBondContact O-N 3.09Å; F9-S11 PolarHBondContact O-N 3.45Å; F9-I12 PolarHBondContact O-N 3.3Å; F9-T13 HydrophobicContact CD1-CG2 4.22Å; F9-T13 WeakPolarHBondContact CD1-OG1 3.26Å; F9-T13 HydrophobicContact CD2-CG2 4.31Å; F9-T13 HydrophobicContact CE1-CG2 3.83Å; F9-T13 VanDerWaalsContact CE1-OG1 3.27Å; F9-T13 WeakPolarHBondContact CE1-OG1 3.32Å; F9-T13 HydrophobicContact CE2-CG2 3.88Å; F9-T13 HydrophobicContact CG-CG2 4.47Å; F9-T13 HydrophobicContact CZ-CG2 3.65Å; F9-T13 PolarHBondContact O-N 3.08Å; F9-T13 PolarHBondContact O-OG1 3.29Å; F9-T15 WeakPolarHBondContact CE1-OG1 3.29Å; F9-A20 HydrophobicContact CD1-CB 3.45Å; F9-A20 VanDerWaalsContact CD1-CB 3.45Å; F9-A20 HydrophobicContact CE1-CB 3.98Å; F9-A20 HydrophobicContact CG-CB 4.37Å; F9-F23 HydrophobicContact CE1-CB 4.28Å; F9-F23 HydrophobicContact CE2-CB 4.35Å; F9-F23 HydrophobicContact CZ-CB 3.77Å; F9-F23 HydrophobicContact CZ-CD2 4.47Å; F9-F23 HydrophobicContact CZ-CG 4.14Å; F9-L24 HydrophobicContact CB-CD1 4.06Å; F9-L24 HydrophobicContact CB-CD2 4.48Å; F9-L24 HydrophobicContact CB-CG 4.42Å; F9-L24 HydrophobicContact CD2-CD2 4.19Å; F9-L24 HydrophobicContact CD2-CG 4.38Å; F9-L24 HydrophobicContact CG-CD1 4.45Å; F9-L24 HydrophobicContact CG-CG 4.37Å; F9-A34 HydrophobicContact CD2-CB 3.95Å; F9-A34 HydrophobicContact CE2-CB 3.52Å; F9-A34 HydrophobicContact CZ-CB 4.48Å; F9-V35 HydrophobicContact CD2-CG2 3.68Å; F9-V35 HydrophobicContact CE2-CG2 3.91Å
10C90.7Very high86.4Confident32 Ų3270.9 Ų70.922%0.21641%0.409CS..Hα-helixtrans-59-35.5176.5-76.90000112.5I6 I12 G14 T15 A20I6-C10 WeakPolarHBondContact O-CB 3.49Å; I6-C10 PolarHBondContact O-N 3.04Å; C10-I12 VanDerWaalsContact C-N 3.28Å; C10-I12 PolarHBondContact O-N 2.9Å; C10-G14 WeakPolarHBondContact O-CA 3.32Å; C10-G14 PolarHBondContact O-N 3.06Å; C10-T15 PolarHBondContact SG-O 2.98Å; C10-A20 WeakPolarHBondContact SG-CB 3.42Å
11S91Very high86.6Confident94 Ų9473.1 Ų73.166%0.65741%0.411SS*.Hα-helixtrans-67.9-27.5176.8-61.60000113E7 N8 F9E7-S11 VanDerWaalsContact O-CB 3.3Å; E7-S11 WeakPolarHBondContact O-CB 3.27Å; E7-S11 PolarHBondContact O-N 3.43Å; E7-S11 PolarHBondContact O-OG 2.7Å; N8-S11 PolarHBondContact O-N 3.22Å; F9-S11 PolarHBondContact O-N 3.45Å
12I89.8Confident88.1Confident79 Ų7971.8 Ų71.841%0.40540%0.402SS..Hα-helixtrans-92.1-44.5-178.1-62.7163.6000111.8N8 F9 C10 V35 F39N8-I12 WeakPolarHBondContact O-CD1 3.47Å; N8-I12 VanDerWaalsContact O-CG1 3.29Å; N8-I12 WeakPolarHBondContact O-CG1 3.3Å; N8-I12 PolarHBondContact O-N 3.09Å; N8-I12 VanDerWaalsContact O-N 3.16Å; F9-I12 PolarHBondContact O-N 3.3Å; C10-I12 VanDerWaalsContact C-N 3.28Å; C10-I12 PolarHBondContact O-N 2.9Å; I12-V35 HydrophobicContact CB-CG2 4.24Å; I12-V35 HydrophobicContact CD1-CG2 4.19Å; I12-V35 HydrophobicContact CG2-CG1 3.63Å; I12-V35 HydrophobicContact CG2-CG2 3.99Å; I12-F39 HydrophobicContact CG2-CE2 4.35Å
13T87.9Confident88.9Confident16 Ų1668.6 Ų68.610%0.09838%0.383CS..Hα-helixtrans-93.9-20.7-174.4610000113.6F9 T15 V35 Y38F9-T13 HydrophobicContact CD1-CG2 4.22Å; F9-T13 WeakPolarHBondContact CD1-OG1 3.26Å; F9-T13 HydrophobicContact CD2-CG2 4.31Å; F9-T13 HydrophobicContact CE1-CG2 3.83Å; F9-T13 VanDerWaalsContact CE1-OG1 3.27Å; F9-T13 WeakPolarHBondContact CE1-OG1 3.32Å; F9-T13 HydrophobicContact CE2-CG2 3.88Å; F9-T13 HydrophobicContact CG-CG2 4.47Å; F9-T13 HydrophobicContact CZ-CG2 3.65Å; F9-T13 PolarHBondContact O-N 3.08Å; F9-T13 PolarHBondContact O-OG1 3.29Å; T13-T15 VanDerWaalsContact C-N 3.25Å; T13-T15 PolarHBondContact O-N 2.93Å; T13-T15 PolarHBondContact OG1-OG1 3.28Å; T13-T15 VanDerWaalsContact OG1-OG1 3.11Å; T13-V35 HydrophobicContact CG2-CG2 4.12Å; T13-Y38 HydrophobicContact CG2-CD1 3.65Å; T13-Y38 HydrophobicContact CG2-CE1 4.33Å; T13-Y38 HydrophobicContact CG2-CG 3.83Å
14G89.7Confident89.4Confident68 Ų6864 Ų6470%0.70135%0.354SS*.  trans74.39.9-176.400000114.7C10C10-G14 WeakPolarHBondContact O-CA 3.32Å; C10-G14 PolarHBondContact O-N 3.06Å
15T87.9Confident89.6Confident13 Ų1366.2 Ų66.28%0.0836%0.355CS..  trans-79.9164.2-177.961.10000113.6F9 C10 T13 E19 Y38F9-T15 WeakPolarHBondContact CE1-OG1 3.29Å; C10-T15 PolarHBondContact SG-O 2.98Å; T13-T15 VanDerWaalsContact C-N 3.25Å; T13-T15 PolarHBondContact O-N 2.93Å; T13-T15 PolarHBondContact OG1-OG1 3.28Å; T13-T15 VanDerWaalsContact OG1-OG1 3.11Å; T15-E19 HydrophobicContact CG2-CG 4.3Å; T15-Y38 HydrophobicContact CG2-CD2 3.95Å; T15-Y38 HydrophobicContact CG2-CE1 4.27Å; T15-Y38 HydrophobicContact CG2-CE2 3.17Å; T15-Y38 WeakPolarHBondContact CG2-OH 3.3Å
16S90.4Very high89.7Confident65 Ų6567.8 Ų67.846%0.45537%0.372SS..  trans-67.1152.2174.271.90000112I18 E19 A20S16-I18 PolarHBondContact O-N 3.46Å; S16-I18 VanDerWaalsContact O-N 3.08Å; S16-E19 PolarHBondContact O-N 3.44Å; S16-E19 WeakPolarHBondContact OG-CB 3.38Å; S16-E19 PolarHBondContact OG-N 2.89Å; S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 2.91Å
17E89.5Confident89.7Confident107 Ų10770.1 Ų70.150%0.538%0.382SS..Hα-helixtrans-56-31.1179.8-163.3-170.2162.400112.9I6 R21I6-E17 HydrophobicContact CG2-CG 3.69Å; E17-R21 VanDerWaalsContact O-CG 3.3Å; E17-R21 WeakPolarHBondContact O-CG 3.3Å; E17-R21 PolarHBondContact O-N 3.32Å; E17-R21 IonicContact OE1-CZ 2.64Å; E17-R21 IonicContact OE1-NE 3.35Å; E17-R21 IonicContact OE1-NH2 2.66Å; E17-R21 PolarHBondContact OE1-NH2 3.03Å
18I90Very high89.6Confident143 Ų14370.9 Ų70.973%0.73339%0.39SS*.Hα-helixtrans-70.3-44.7179.8-59.5167.1000110.5S16 R21 H22S16-I18 PolarHBondContact O-N 3.46Å; S16-I18 VanDerWaalsContact O-N 3.08Å; I18-R21 PolarHBondContact O-N 3Å; I18-H22 PolarHBondContact O-N 3.11Å
19E88.8Confident89.5Confident80 Ų8070.5 Ų70.537%0.37438%0.382SS..Hα-helixtrans-69.3-42.7178-175.6170.8-160.300111.1T15 S16 R21 H22 F23T15-E19 HydrophobicContact CG2-CG 4.3Å; S16-E19 PolarHBondContact O-N 3.44Å; S16-E19 WeakPolarHBondContact OG-CB 3.38Å; S16-E19 PolarHBondContact OG-N 2.89Å; E19-R21 VanDerWaalsContact C-N 3.3Å; E19-R21 PolarHBondContact O-N 3.35Å; E19-H22 PolarHBondContact O-N 3.16Å; E19-H22 VanDerWaalsContact O-N 3.11Å; E19-F23 HydrophobicContact CG-CD2 3.89Å; E19-F23 HydrophobicContact CG-CE2 3.83Å; E19-F23 WeakPolarHBondContact O-CD2 3.5Å; E19-F23 PolarHBondContact O-N 3.38Å
20A90Very high89.4Confident0 Ų073.8 Ų73.80%040%0.4CS..Hα-helixtrans-56.4-42.4173.600000112.5I6 F9 C10 S16 L24I6-A20 HydrophobicContact CG2-CB 4.12Å; F9-A20 HydrophobicContact CD1-CB 3.45Å; F9-A20 VanDerWaalsContact CD1-CB 3.45Å; F9-A20 HydrophobicContact CE1-CB 3.98Å; F9-A20 HydrophobicContact CG-CB 4.37Å; C10-A20 WeakPolarHBondContact SG-CB 3.42Å; S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 2.91Å; A20-L24 WeakPolarHBondContact O-CB 3.21Å; A20-L24 VanDerWaalsContact O-CG 3.26Å; A20-L24 WeakPolarHBondContact O-CG 3.46Å; A20-L24 PolarHBondContact O-N 3.46Å
21R90.7Very high89.3Confident118 Ų11873 Ų7345%0.44540%0.395SS..Hα-helixtrans-63.1-41.8175.3-78.7177.9-173-178.33.8112.4I6 E17 I18 E19 L24 E25I6-R21 HydrophobicContact CD1-CG 3.77Å; I6-R21 HydrophobicContact CG1-CG 4.34Å; E17-R21 VanDerWaalsContact O-CG 3.3Å; E17-R21 WeakPolarHBondContact O-CG 3.3Å; E17-R21 PolarHBondContact O-N 3.32Å; E17-R21 IonicContact OE1-CZ 2.64Å; E17-R21 IonicContact OE1-NE 3.35Å; E17-R21 IonicContact OE1-NH2 2.66Å; E17-R21 PolarHBondContact OE1-NH2 3.03Å; I18-R21 PolarHBondContact O-N 3Å; E19-R21 VanDerWaalsContact C-N 3.3Å; E19-R21 PolarHBondContact O-N 3.35Å; R21-L24 PolarHBondContact O-N 2.92Å; R21-E25 VanDerWaalsContact O-CB 3.27Å; R21-E25 WeakPolarHBondContact O-CB 3.43Å; R21-E25 PolarHBondContact O-N 2.91Å
22H89.6Confident89.2Confident136 Ų13674.3 Ų74.363%0.6339%0.394SS*.Hα-helixtrans-66-42.1179.9-171.5-91.5000111.9I18 E19 A26I18-H22 PolarHBondContact O-N 3.11Å; E19-H22 PolarHBondContact O-N 3.16Å; E19-H22 VanDerWaalsContact O-N 3.11Å; H22-A26 PolarHBondContact O-N 3.37Å; H22-A26 VanDerWaalsContact O-N 3.13Å
23F88.8Confident89.2Confident41 Ų4175.4 Ų75.418%0.1840%0.397CS..Hα-helixtrans-66.3-45.7174.5-85.2-79.5000112F9 E19 E25 A26 F27 Y38F9-F23 HydrophobicContact CE1-CB 4.28Å; F9-F23 HydrophobicContact CE2-CB 4.35Å; F9-F23 HydrophobicContact CZ-CB 3.77Å; F9-F23 HydrophobicContact CZ-CD2 4.47Å; F9-F23 HydrophobicContact CZ-CG 4.14Å; E19-F23 HydrophobicContact CG-CD2 3.89Å; E19-F23 HydrophobicContact CG-CE2 3.83Å; E19-F23 WeakPolarHBondContact O-CD2 3.5Å; E19-F23 PolarHBondContact O-N 3.38Å; F23-E25 VanDerWaalsContact C-N 3.3Å; F23-E25 PolarHBondContact O-N 3.13Å; F23-A26 PolarHBondContact O-N 2.79Å; F23-F27 HydrophobicContact CD1-CE2 4.32Å; F23-F27 VanDerWaalsContact O-CD2 3.3Å; F23-F27 WeakPolarHBondContact O-CD2 3.23Å; F23-F27 PolarHBondContact O-N 3.46Å; F23-Y38 HydrophobicContact CD2-CD2 4.44Å; F23-Y38 AromaticContact CE2-CD2 3.95Å; F23-Y38 HydrophobicContact CE2-CD2 3.95Å; F23-Y38 HydrophobicContact CE2-CE2 4.47Å; F23-Y38 HydrophobicContact CZ-CD2 4.02Å
24L91.4Very high89.3Confident0 Ų074.6 Ų74.60%039%0.393CS..Hα-helixtrans-64.6-34.2178.5-72.8169.4000112.4V5 I6 F9 A20 R21 F27 D28 W29 A34V5-L24 HydrophobicContact CG1-CD1 4.03Å; V5-L24 HydrophobicContact CG1-CD2 3.82Å; I6-L24 HydrophobicContact CB-CD1 4.35Å; I6-L24 HydrophobicContact CG1-CD1 3.86Å; F9-L24 HydrophobicContact CB-CD1 4.06Å; F9-L24 HydrophobicContact CB-CD2 4.48Å; F9-L24 HydrophobicContact CB-CG 4.42Å; F9-L24 HydrophobicContact CD2-CD2 4.19Å; F9-L24 HydrophobicContact CD2-CG 4.38Å; F9-L24 HydrophobicContact CG-CD1 4.45Å; F9-L24 HydrophobicContact CG-CG 4.37Å; A20-L24 WeakPolarHBondContact O-CB 3.21Å; A20-L24 VanDerWaalsContact O-CG 3.26Å; A20-L24 WeakPolarHBondContact O-CG 3.46Å; A20-L24 PolarHBondContact O-N 3.46Å; R21-L24 PolarHBondContact O-N 2.92Å; L24-F27 PolarHBondContact O-N 3.47Å; L24-D28 PolarHBondContact O-N 3.24Å; L24-W29 HydrophobicContact CB-CE3 4.32Å; L24-W29 HydrophobicContact CB-CZ3 4.5Å; L24-W29 HydrophobicContact CD1-CZ3 4.46Å; L24-W29 WeakPolarHBondContact O-CA 3.27Å; L24-W29 PolarHBondContact O-N 3.19Å; L24-A34 HydrophobicContact CD2-CB 4.04Å
25E90.3Very high89.3Confident130 Ų13072.3 Ų72.361%0.60737%0.365SS*.Hα-helixtrans-68.8-34.9175-171.8168-158.400112.2R21 F23 F27R21-E25 VanDerWaalsContact O-CB 3.27Å; R21-E25 WeakPolarHBondContact O-CB 3.43Å; R21-E25 PolarHBondContact O-N 2.91Å; F23-E25 VanDerWaalsContact C-N 3.3Å; F23-E25 PolarHBondContact O-N 3.13Å; E25-F27 VanDerWaalsContact C-N 3.32Å; E25-F27 PolarHBondContact O-N 3.46Å
26A90.1Very high89.3Confident70 Ų7079.1 Ų79.158%0.57939%0.394SS*.Hα-helixtrans-69.3-27176.900000113.7H22 F23H22-A26 PolarHBondContact O-N 3.37Å; H22-A26 VanDerWaalsContact O-N 3.13Å; F23-A26 PolarHBondContact O-N 2.79Å
27F88.5Confident89.2Confident61 Ų6177.1 Ų77.127%0.26838%0.381SS..THydrogen-bonded Turntrans-112.332.8-177.2-67.9-79000113.1F23 L24 E25 W29 N30 E33 A34 A37F23-F27 HydrophobicContact CD1-CE2 4.32Å; F23-F27 VanDerWaalsContact O-CD2 3.3Å; F23-F27 WeakPolarHBondContact O-CD2 3.23Å; F23-F27 PolarHBondContact O-N 3.46Å; L24-F27 PolarHBondContact O-N 3.47Å; E25-F27 VanDerWaalsContact C-N 3.32Å; E25-F27 PolarHBondContact O-N 3.46Å; F27-W29 PolarHBondContact O-N 3.45Å; F27-W29 VanDerWaalsContact O-N 3.09Å; F27-N30 VanDerWaalsContact O-CB 3.23Å; F27-N30 WeakPolarHBondContact O-CB 3.41Å; F27-N30 PolarHBondContact O-N 3.39Å; F27-E33 HydrophobicContact CD1-CB 4.45Å; F27-E33 HydrophobicContact CD1-CG 3.79Å; F27-E33 HydrophobicContact CE1-CG 4.31Å; F27-A34 HydrophobicContact CB-CB 4.15Å; F27-A34 HydrophobicContact CD2-CB 4.01Å; F27-A34 HydrophobicContact CG-CB 4.33Å; F27-A37 HydrophobicContact CD2-CB 4.28Å; F27-A37 HydrophobicContact CE1-CB 3.96Å; F27-A37 HydrophobicContact CE2-CB 3.35Å; F27-A37 HydrophobicContact CZ-CB 3.15Å
28D87Confident89.3Confident152 Ų15273.1 Ų73.181%0.81336%0.361SS*.THydrogen-bonded Turntrans51.736.6175.4-70.7-42000114.4L24 N30L24-D28 PolarHBondContact O-N 3.24Å; D28-N30 PolarHBondContact O-N 3Å
29W87.3Confident89.3Confident76 Ų7670.4 Ų70.429%0.28835%0.345SS..THydrogen-bonded Turntrans63.321.2-178.1-62.376.5000114.9M1 I6 L24 F27 C31M1-W29 HydrophobicContact CE-CH2 3.75Å; M1-W29 HydrophobicContact CE-CZ2 3.35Å; M1-W29 HydrophobicContact CG-CH2 4.37Å; M1-W29 HydrophobicContact CG-CZ2 4.41Å; M1-W29 HydrophobicContact SD-CH2 3.15Å; M1-W29 WeakPolarHBondContact SD-CH2 3.39Å; M1-W29 HydrophobicContact SD-CZ2 3.39Å; M1-W29 WeakPolarHBondContact SD-CZ2 3.15Å; M1-W29 HydrophobicContact SD-CZ3 4.1Å; I6-W29 HydrophobicContact CD1-CH2 4.2Å; I6-W29 HydrophobicContact CD1-CZ3 4.03Å; I6-W29 HydrophobicContact CG1-CH2 4.44Å; I6-W29 HydrophobicContact CG1-CZ3 3.9Å; L24-W29 HydrophobicContact CB-CE3 4.32Å; L24-W29 HydrophobicContact CB-CZ3 4.5Å; L24-W29 HydrophobicContact CD1-CZ3 4.46Å; L24-W29 WeakPolarHBondContact O-CA 3.27Å; L24-W29 PolarHBondContact O-N 3.19Å; F27-W29 PolarHBondContact O-N 3.45Å; F27-W29 VanDerWaalsContact O-N 3.09Å; W29-C31 PolarHBondContact O-N 3.06Å
30N88.4Confident89.2Confident69 Ų6972.5 Ų72.537%0.36936%0.358SS..  trans-86.2101.2174.4-168.40.5000111.3F27 D28 D32 E33 A34F27-N30 VanDerWaalsContact O-CB 3.23Å; F27-N30 WeakPolarHBondContact O-CB 3.41Å; F27-N30 PolarHBondContact O-N 3.39Å; D28-N30 PolarHBondContact O-N 3Å; N30-D32 PolarHBondContact O-N 3.11Å; N30-E33 HydrophobicContact CB-CB 4.22Å; N30-E33 PolarHBondContact ND2-OE2 3.29Å; N30-E33 VanDerWaalsContact ND2-OE2 3.14Å; N30-E33 PolarHBondContact O-N 2.95Å; N30-A34 WeakPolarHBondContact O-CB 3.46Å; N30-A34 PolarHBondContact O-N 3.14Å
31C88.1Confident88.7Confident16 Ų1674.9 Ų74.911%0.10838%0.375CS..Hα-helixtrans-58.9-42.4-175.8-168.70000113.2V5 W29 E33 V35V5-C31 HydrophobicContact CG1-CB 4.05Å; W29-C31 PolarHBondContact O-N 3.06Å; C31-E33 VanDerWaalsContact C-N 3.34Å; C31-E33 PolarHBondContact O-N 3.43Å; C31-V35 WeakPolarHBondContact O-CB 3.43Å; C31-V35 WeakPolarHBondContact O-CG2 3.4Å; C31-V35 PolarHBondContact O-N 2.99Å
32D88.9Confident87.9Confident120 Ų12072.1 Ų72.164%0.64237%0.367SS*.Hα-helixtrans-67.7-35.2-175.5-68.2-61.8000112.5N30 K36N30-D32 PolarHBondContact O-N 3.11Å; D32-K36 WeakPolarHBondContact O-CG 3.4Å; D32-K36 PolarHBondContact O-N 3.43Å
33E89.3Confident86.7Confident102 Ų10270.8 Ų70.848%0.47737%0.365SS..Hα-helixtrans-78.5-41.1179.8-165167.1-170.400111.3F27 N30 C31 V35 K36 A37F27-E33 HydrophobicContact CD1-CB 4.45Å; F27-E33 HydrophobicContact CD1-CG 3.79Å; F27-E33 HydrophobicContact CE1-CG 4.31Å; N30-E33 HydrophobicContact CB-CB 4.22Å; N30-E33 PolarHBondContact ND2-OE2 3.29Å; N30-E33 VanDerWaalsContact ND2-OE2 3.14Å; N30-E33 PolarHBondContact O-N 2.95Å; C31-E33 VanDerWaalsContact C-N 3.34Å; C31-E33 PolarHBondContact O-N 3.43Å; E33-V35 VanDerWaalsContact C-N 3.34Å; E33-V35 PolarHBondContact O-N 3.29Å; E33-K36 PolarHBondContact O-N 2.99Å; E33-A37 PolarHBondContact O-N 2.95Å
34A89.8Confident85.1Confident0 Ų072 Ų720%038%0.382CS..Hα-helixtrans-60.2-42.3173.600000111.9F9 L24 F27 N30 A37 Y38F9-A34 HydrophobicContact CD2-CB 3.95Å; F9-A34 HydrophobicContact CE2-CB 3.52Å; F9-A34 HydrophobicContact CZ-CB 4.48Å; L24-A34 HydrophobicContact CD2-CB 4.04Å; F27-A34 HydrophobicContact CB-CB 4.15Å; F27-A34 HydrophobicContact CD2-CB 4.01Å; F27-A34 HydrophobicContact CG-CB 4.33Å; N30-A34 WeakPolarHBondContact O-CB 3.46Å; N30-A34 PolarHBondContact O-N 3.14Å; A34-A37 PolarHBondContact O-N 3.34Å; A34-Y38 PolarHBondContact O-N 3.33Å
35V90.1Very high83.4Confident20 Ų2076.2 Ų76.212%0.12141%0.408CS..Hα-helixtrans-63.7-42.8179166.90000110.7F9 I12 T13 C31 E33 Y38 F39F9-V35 HydrophobicContact CD2-CG2 3.68Å; F9-V35 HydrophobicContact CE2-CG2 3.91Å; I12-V35 HydrophobicContact CB-CG2 4.24Å; I12-V35 HydrophobicContact CD1-CG2 4.19Å; I12-V35 HydrophobicContact CG2-CG1 3.63Å; I12-V35 HydrophobicContact CG2-CG2 3.99Å; T13-V35 HydrophobicContact CG2-CG2 4.12Å; C31-V35 WeakPolarHBondContact O-CB 3.43Å; C31-V35 WeakPolarHBondContact O-CG2 3.4Å; C31-V35 PolarHBondContact O-N 2.99Å; E33-V35 VanDerWaalsContact C-N 3.34Å; E33-V35 PolarHBondContact O-N 3.29Å; V35-Y38 PolarHBondContact O-N 3.15Å; V35-F39 HydrophobicContact CG1-CD2 3.86Å; V35-F39 HydrophobicContact CG1-CE2 3.8Å; V35-F39 VanDerWaalsContact O-CD2 3.28Å; V35-F39 WeakPolarHBondContact O-CD2 3.36Å; V35-F39 PolarHBondContact O-N 3.32Å; V35-F39 VanDerWaalsContact O-N 3.15Å
36K88.9Confident81.5Confident156 Ų15676.7 Ų76.768%0.67841%0.409SS*.Hα-helixtrans-61.3-45175.8-76.3175.2-178.3172.40111.7D32 E33 Y38 F39 D40D32-K36 WeakPolarHBondContact O-CG 3.4Å; D32-K36 PolarHBondContact O-N 3.43Å; E33-K36 PolarHBondContact O-N 2.99Å; K36-Y38 VanDerWaalsContact C-N 3.31Å; K36-Y38 PolarHBondContact O-N 2.91Å; K36-F39 PolarHBondContact O-N 3.4Å; K36-D40 WeakPolarHBondContact O-CB 3.28Å; K36-D40 PolarHBondContact O-N 2.82Å
37A88.9Confident79.4Confident23 Ų2378.7 Ų78.719%0.1942%0.419CS..Hα-helixtrans-64.4-35.8178.500000112.6F27 E33 A34 S41F27-A37 HydrophobicContact CD2-CB 4.28Å; F27-A37 HydrophobicContact CE1-CB 3.96Å; F27-A37 HydrophobicContact CE2-CB 3.35Å; F27-A37 HydrophobicContact CZ-CB 3.15Å; E33-A37 PolarHBondContact O-N 2.95Å; A34-A37 PolarHBondContact O-N 3.34Å; A37-S41 WeakPolarHBondContact O-CB 3.35Å; A37-S41 PolarHBondContact O-N 3.38Å; A37-S41 PolarHBondContact O-OG 2.85Å
38Y90.2Very high77.2Confident22 Ų2279.6 Ų79.69%0.08643%0.433CS..Hα-helixtrans-61.1-51.6174.5-178.7-94.8000111.3T13 T15 F23 A34 V35 K36 D40 S41 E42T13-Y38 HydrophobicContact CG2-CD1 3.65Å; T13-Y38 HydrophobicContact CG2-CE1 4.33Å; T13-Y38 HydrophobicContact CG2-CG 3.83Å; T15-Y38 HydrophobicContact CG2-CD2 3.95Å; T15-Y38 HydrophobicContact CG2-CE1 4.27Å; T15-Y38 HydrophobicContact CG2-CE2 3.17Å; T15-Y38 WeakPolarHBondContact CG2-OH 3.3Å; F23-Y38 HydrophobicContact CD2-CD2 4.44Å; F23-Y38 AromaticContact CE2-CD2 3.95Å; F23-Y38 HydrophobicContact CE2-CD2 3.95Å; F23-Y38 HydrophobicContact CE2-CE2 4.47Å; F23-Y38 HydrophobicContact CZ-CD2 4.02Å; A34-Y38 PolarHBondContact O-N 3.33Å; V35-Y38 PolarHBondContact O-N 3.15Å; K36-Y38 VanDerWaalsContact C-N 3.31Å; K36-Y38 PolarHBondContact O-N 2.91Å; Y38-D40 PolarHBondContact O-N 3.49Å; Y38-S41 PolarHBondContact O-N 3.17Å; Y38-S41 VanDerWaalsContact O-N 3.17Å; Y38-S41 PolarHBondContact O-OG 2.69Å; Y38-E42 HydrophobicContact CD1-CG 4.43Å; Y38-E42 HydrophobicContact CE1-CG 3.83Å; Y38-E42 HydrophobicContact CE2-CG 4.48Å; Y38-E42 PolarHBondContact O-N 3.45Å; Y38-E42 VanDerWaalsContact OH-CD 3.31Å; Y38-E42 PolarHBondContact OH-OE1 3.42Å
39F90.3Very high74.6Confident87 Ų8778.9 Ų78.938%0.38243%0.429SS..Hα-helixtrans-68-34.8179.3-75.5-67.6000113.3I12 V35 K36 S41 E42 D43I12-F39 HydrophobicContact CG2-CE2 4.35Å; V35-F39 HydrophobicContact CG1-CD2 3.86Å; V35-F39 HydrophobicContact CG1-CE2 3.8Å; V35-F39 VanDerWaalsContact O-CD2 3.28Å; V35-F39 WeakPolarHBondContact O-CD2 3.36Å; V35-F39 PolarHBondContact O-N 3.32Å; V35-F39 VanDerWaalsContact O-N 3.15Å; K36-F39 PolarHBondContact O-N 3.4Å; F39-S41 VanDerWaalsContact C-N 3.26Å; F39-S41 PolarHBondContact O-N 2.96Å; F39-E42 PolarHBondContact O-N 3.3Å; F39-D43 WeakPolarHBondContact O-CB 3.31Å; F39-D43 PolarHBondContact O-N 3.44Å
40D86.2Confident72.1Confident124 Ų12479 Ų7966%0.66345%0.454SS*.Hα-helixtrans-64.7-34.3173.6-159.540.8000111.1K36 Y38 A44K36-D40 WeakPolarHBondContact O-CB 3.28Å; K36-D40 PolarHBondContact O-N 2.82Å; Y38-D40 PolarHBondContact O-N 3.49Å; D40-A44 PolarHBondContact O-N 2.92Å
41S80.1Confident69.6Low49 Ų4980.4 Ų80.434%0.34347%0.469SS..Hα-helixtrans-72.5-37.4173.478.20000113.1A37 Y38 F39 A44 V45A37-S41 WeakPolarHBondContact O-CB 3.35Å; A37-S41 PolarHBondContact O-N 3.38Å; A37-S41 PolarHBondContact O-OG 2.85Å; Y38-S41 PolarHBondContact O-N 3.17Å; Y38-S41 VanDerWaalsContact O-N 3.17Å; Y38-S41 PolarHBondContact O-OG 2.69Å; F39-S41 VanDerWaalsContact C-N 3.26Å; F39-S41 PolarHBondContact O-N 2.96Å; S41-A44 PolarHBondContact O-N 3.22Å; S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 2.97Å
42E74.7Confident67.2Low60 Ų6087.5 Ų87.528%0.2850%0.5SS..Hα-helixtrans-71.4-39.3175.9-78.2-146.8146.300113Y38 F39 A44 V45 H46Y38-E42 HydrophobicContact CD1-CG 4.43Å; Y38-E42 HydrophobicContact CE1-CG 3.83Å; Y38-E42 HydrophobicContact CE2-CG 4.48Å; Y38-E42 PolarHBondContact O-N 3.45Å; Y38-E42 VanDerWaalsContact OH-CD 3.31Å; Y38-E42 PolarHBondContact OH-OE1 3.42Å; F39-E42 PolarHBondContact O-N 3.3Å; E42-A44 PolarHBondContact O-N 3.27Å; E42-V45 VanDerWaalsContact O-CG2 3.31Å; E42-V45 WeakPolarHBondContact O-CG2 3.4Å; E42-V45 PolarHBondContact O-N 3.13Å; E42-V45 VanDerWaalsContact O-N 3.14Å; E42-H46 WeakPolarHBondContact O-CB 3.45Å; E42-H46 PolarHBondContact O-CD2 3.43Å; E42-H46 VanDerWaalsContact O-CD2 3.22Å; E42-H46 PolarHBondContact O-N 2.95Å
43D63.3Low64.6Low109 Ų10989.7 Ų89.758%0.58351%0.505SS*.Hα-helixtrans-64.5-28.8175.3-80.3-29.2000111.6F39 S47F39-D43 WeakPolarHBondContact O-CB 3.31Å; F39-D43 PolarHBondContact O-N 3.44Å; D43-S47 PolarHBondContact O-OG 3.3Å
44A54.7Low62.1Low65 Ų6591.4 Ų91.454%0.53752%0.517SS..Hα-helixtrans-72-37.1172.400000113D40 S41 E42D40-A44 PolarHBondContact O-N 2.92Å; S41-A44 PolarHBondContact O-N 3.22Å; E42-A44 PolarHBondContact O-N 3.27Å
45V56.8Low59.5Low90 Ų9098.7 Ų98.755%0.54555%0.551SS.*Hα-helixtrans-82.4-26176.6-72.40000113.6S41 E42 S47 S48S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 2.97Å; E42-V45 VanDerWaalsContact O-CG2 3.31Å; E42-V45 WeakPolarHBondContact O-CG2 3.4Å; E42-V45 PolarHBondContact O-N 3.13Å; E42-V45 VanDerWaalsContact O-N 3.14Å; V45-S47 PolarHBondContact O-N 3.32Å; V45-S48 CarbonylContact O-C 3.58Å; V45-S48 PolarHBondContact O-N 3.4Å; V45-S48 VanDerWaalsContact O-N 3.16Å
46H50.7Low57Low140 Ų140102.5 Ų102.565%0.64859%0.585SS**Hα-helixtrans-75.4-9.8175.5-73-43.8000114.4E42E42-H46 WeakPolarHBondContact O-CB 3.45Å; E42-H46 PolarHBondContact O-CD2 3.43Å; E42-H46 VanDerWaalsContact O-CD2 3.22Å; E42-H46 PolarHBondContact O-N 2.95Å
47S46Very low54.5Low111 Ų111102.2 Ų102.278%0.77659%0.589SS**THydrogen-bonded Turntrans-93.8-0.6169.9-58.80000113.5D43 V45D43-S47 PolarHBondContact O-OG 3.3Å; V45-S47 PolarHBondContact O-N 3.32Å
48S40.5Very low52.1Low80 Ų80110.2 Ų110.256%0.55962%0.622SS**SBendtrans-139.291.6-172.4164.30000111.9V45V45-S48 CarbonylContact O-C 3.58Å; V45-S48 PolarHBondContact O-N 3.4Å; V45-S48 VanDerWaalsContact O-N 3.16Å
49D34.4Very low49.8Very low137 Ų137114.2 Ų114.273%0.73365%0.651SS**  trans65.6112.5146.2-136.616.7000119.2S51D49-S51 PolarHBondContact O-N 2.84Å
50G33.4Very low47.1Very low78 Ų78116.3 Ų116.380%0.80467%0.674SS**  trans-80.8105.516400000110.9
51S37.2Very low44.9Very low99 Ų99116.3 Ų116.369%0.69268%0.683SS**  trans-163.998.2143.448.50000112.2D49 F53D49-S51 PolarHBondContact O-N 2.84Å; S51-F53 PolarHBondContact O-N 3.16Å
52H36.4Very low42.7Very low166 Ų166124 Ų12477%0.76971%0.71SS**  trans1697.6140.1-154.4-66.7000117.3
53F34.7Very low41Very low166 Ų166126.8 Ų126.873%0.72874%0.736SS**  trans-86.6111.8161.3-170.7-101.5000108.9S51 Q55S51-F53 PolarHBondContact O-N 3.16Å; F53-Q55 HydrophobicContact CD1-CB 3.81Å; F53-Q55 HydrophobicContact CD1-CG 4.32Å; F53-Q55 HydrophobicContact CE1-CB 3.64Å; F53-Q55 HydrophobicContact CE1-CG 3.71Å
54D36.9Very low39.6Very low137 Ų137128.8 Ų128.873%0.73375%0.747SS**  trans-89108.9169-141.8-14.9000108
55Q35.9Very low39.1Very low153 Ų153133.8 Ų133.872%0.71577%0.765SS**  trans-93.498.5-173.5-168.4163.847.400109.9F53F53-Q55 HydrophobicContact CD1-CB 3.81Å; F53-Q55 HydrophobicContact CD1-CG 4.32Å; F53-Q55 HydrophobicContact CE1-CB 3.64Å; F53-Q55 HydrophobicContact CE1-CG 3.71Å
56A36.9Very low38.4Very low101 Ų101138.7 Ų138.784%0.83578%0.782SS**  trans-98.8113166.800000110.8
57I37Very low38.2Very low150 Ų150137 Ų13777%0.76978%0.783SS**  trans-60.5136.2176.1-64.8151000111.7
58Q38.6Very low37.9Very low190 Ų190137.5 Ų137.589%0.88878%0.784SS**  trans-161.2142.8143.1-109.6166.390.300112.9
59P41.6Very low37.8Very low106 Ų106141.1 Ų141.169%0.68880%0.796SS**  trans-97.3167-16335.5-26.9000114.4
60P33.2Very low38.1Very low132 Ų132140.2 Ų140.286%0.85780%0.801SS**  trans-86.1137.4-168.234-32.4000112.8
61S39.2Very low38.2Very low123 Ų123141.6 Ų141.686%0.8679%0.794SS**  trans-108.5120.4174.5-56.20000110.7
62K34.9Very low38.7Very low210 Ų210147 Ų14791%0.91381%0.805SS**  trans-78.6138.3167.6-69.1173.4175.6176.20109.8
63S39.1Very low38.8Very low119 Ų119146.3 Ų146.383%0.83281%0.807SS**  trans-152.6116.9149.664.70000111.4
64N34.5Very low39.5Very low151 Ų151147.8 Ų147.881%0.80781%0.813SS**  trans-62.5148.4167.4-65-34.3000111.1
65N43.3Very low39.9Very low170 Ų170146.3 Ų146.391%0.90981%0.811SS**  trans-165.8121.3134.3-92.1-21.3000110.3
66E42.6Very low40.4Very low193 Ų193145.2 Ų145.290%0.90282%0.817SS**  trans-85.5170.5174.3-101.1-163.8135.600112.3
67P46.9Very low41.1Very low105 Ų105151.3 Ų151.368%0.68282%0.82SS**  trans-106.7-163.5-143.942.4-36.7000114.3
68P39.5Very low41.7Very low122 Ų122149.8 Ų149.879%0.79282%0.823SS**  -142.8163.7122.633.4-16.1000116.7
69L37Very low42.8Very low156 Ų156148.9 Ų148.982%0.81782%0.816SS**  trans-44.2146.5178.1-78.370.6000116.9
70S41.2Very low43.7Very low118 Ų118149.4 Ų149.483%0.82582%0.819SS**  trans-147.4117.6141.164.40000112
71T35.5Very low45.2Very low106 Ų106153.3 Ų153.365%0.6582%0.823SS**  trans-72.7133.4-178.8-42.80000112.3
72F47.6Very low46.6Very low213 Ų213154.4 Ų154.493%0.93482%0.817SS**  trans-135.2106.8156.3-101.1-80.4000110.3
73N39.7Very low47.9Very low152 Ų152148.7 Ų148.781%0.81381%0.81SS**  trans-76133.8174.3-100-17.1000111
74K49.5Very low49.5Very low197 Ų197147.1 Ų147.186%0.85780%0.795SS**  trans-120.5144.2157-90.1-179.3177.5177.20109
75P44.9Very low51.2Low106 Ų106147.5 Ų147.569%0.68880%0.796SS**PPolyproline II helixtrans-79.3152.8-164.533.5-34.5000112.1
76P45Very low52.1Low129 Ų129143.8 Ų143.884%0.83878%0.784SS**PPolyproline II helixtrans-81126.8175.532.3-29.6000110.2S78P76-S78 PolarHBondContact O-N 3.22Å
77Y53.2Low52.9Low230 Ų230138.3 Ų138.390%0.90276%0.763SS**PPolyproline II helixtrans-67.3120.1169.2-85.3-95.6000110.1K79Y77-K79 PolarHBondContact O-N 3.14Å
78S48.2Very low53.5Low118 Ų118140.1 Ų140.183%0.82577%0.766SS**  trans-74.6111.2172172.90000110.2P76P76-S78 PolarHBondContact O-N 3.22Å
79K62.6Low54.7Low170 Ų170142.1 Ų142.174%0.73977%0.765SS**  trans-69.4139.3170.7-65-171.8177.6-1700110.5Y77Y77-K79 PolarHBondContact O-N 3.14Å
80P59.7Low55.6Low117 Ų117141.8 Ų141.876%0.7676%0.764SS**  trans-74.4148.9-177.830.8-33.4000112.2I82P80-I82 PolarHBondContact O-N 3.23Å
81K66.1Low56Low215 Ų215141.6 Ų141.694%0.93575%0.754SS**SBendtrans-77.910.7-170.7-120.5170.7-177.2176.40115.5
82I68.4Low56.6Low145 Ų145140.6 Ų140.674%0.74475%0.752SS**  trans-139.7110.3-175.2-52.7175.6000108.2P80P80-I82 PolarHBondContact O-N 3.23Å
83A62.3Low56.8Low91 Ų91137.2 Ų137.275%0.75274%0.743SS**  trans-94.8126.317500000109.9
84T71.2Confident57.4Low86 Ų86137.2 Ų137.253%0.52874%0.743SS.*  trans-92.7155.9169.552.80000109.5S86 T87T84-S86 PolarHBondContact O-N 3.24Å; T84-T87 WeakPolarHBondContact O-CB 3.09Å; T84-T87 PolarHBondContact O-N 2.77Å; T84-T87 PolarHBondContact O-OG1 3.02Å; T84-T87 PolarHBondContact OG1-OG1 2.84Å; T84-T87 VanDerWaalsContact OG1-OG1 3.1Å
85L70Confident57.6Low159 Ų159133.6 Ų133.683%0.83273%0.729SS**Hα-helixtrans-51.5-31.8-177.5-76.3167.5000113.5T87 L88L85-T87 VanDerWaalsContact C-N 3.25Å; L85-T87 PolarHBondContact O-N 3Å; L85-L88 PolarHBondContact O-N 3.22Å
86S62.9Low58.1Low92 Ų92132.4 Ų132.464%0.64372%0.723SS**Hα-helixtrans-69.7-17.1177.1-410000114.4T84T84-S86 PolarHBondContact O-N 3.24Å
87T60.1Low58.6Low77 Ų77130.9 Ų130.947%0.47271%0.708SS.*Hα-helixtrans-86.2-18.2179.3-40.10000111.5T84 L85T84-T87 WeakPolarHBondContact O-CB 3.09Å; T84-T87 PolarHBondContact O-N 2.77Å; T84-T87 PolarHBondContact O-OG1 3.02Å; T84-T87 PolarHBondContact OG1-OG1 2.84Å; T84-T87 VanDerWaalsContact OG1-OG1 3.1Å; L85-T87 VanDerWaalsContact C-N 3.25Å; L85-T87 PolarHBondContact O-N 3Å
88L59.8Low58.9Low143 Ų143125.8 Ų125.875%0.74969%0.691SS**Hα-helixtrans-83.6-23.7179.1-16172.5000112.5L85 N90L85-L88 PolarHBondContact O-N 3.22Å; L88-N90 VanDerWaalsContact C-N 3.32Å
89E64Low59.7Low165 Ų165120.4 Ų120.477%0.77165%0.654SS**THydrogen-bonded Turntrans-79.4-16.2-179.1-160.8169.9-172.700112.7
90N55.7Low60.3Low149 Ų149117.2 Ų117.280%0.79764%0.642SS**THydrogen-bonded Turntrans-112.77.1-173.6-149.955.5000114L88L88-N90 VanDerWaalsContact C-N 3.32Å
91D49.6Very low61.1Low113 Ų113113.7 Ų113.760%0.60462%0.622SS**SBendtrans-111.716.2-179.8-142.117.7000111.5
92S48.6Very low61.7Low86 Ų86108.9 Ų108.960%0.60160%0.601SS**SBendtrans-86.9-8.8-173.362.20000115.5
93D51.6Low62.3Low141 Ų141109.8 Ų109.875%0.75460%0.597SS**SBendtrans-111.12.1-160.7-73.53.8000115.2
94D52.3Low63Low152 Ų152109.6 Ų109.681%0.81359%0.586SS**SBendtrans-131.112-171.4-119.9-12.7000115.6
95E53.6Low62.9Low121 Ų121108 Ų10857%0.56559%0.586SS**SBendtrans-111.20.3178-95.6-85.6136.100113.9D97 K98E95-D97 VanDerWaalsContact C-N 3.3Å; E95-D97 PolarHBondContact O-N 3.4Å; E95-K98 PolarHBondContact O-N 3.4Å; E95-K98 WeakPolarHBondContact OE1-CD 2.9Å; E95-K98 IonicContact OE1-NZ 3.84Å; E95-K98 PolarHBondContact OE1-NZ 2.78Å
96S55.1Low62.8Low81 Ų81103.6 Ų103.657%0.56658%0.58SS**THydrogen-bonded Turntrans-71.7-19.8-175.659.30000114.5
97D56.4Low62.8Low97 Ų97102.4 Ų102.452%0.51957%0.571SS.*THydrogen-bonded Turntrans-85.6-8.4-179.2-82.4-21.3000114E95E95-D97 VanDerWaalsContact C-N 3.3Å; E95-D97 PolarHBondContact O-N 3.4Å
98K58.4Low63.2Low124 Ų124108.6 Ų108.654%0.53960%0.595SS.*SBendtrans-98.3115.6173.4-60.9177.4-158.5154.60107.2E95E95-K98 PolarHBondContact O-N 3.4Å; E95-K98 WeakPolarHBondContact OE1-CD 2.9Å; E95-K98 IonicContact OE1-NZ 3.84Å; E95-K98 PolarHBondContact OE1-NZ 2.78Å
99G64.5Low63.3Low4 Ų4107.7 Ų107.74%0.04160%0.596CS.*PPolyproline II helixtrans-47.4152.7-177.400000113.2A101 L117G99-A101 PolarHBondContact O-N 3.26Å; G99-A101 VanDerWaalsContact O-N 3.07Å; G99-L117 WeakPolarHBondContact O-CD1 3.43Å
100Q76.4Confident62.8Low104 Ų104103.7 Ų103.749%0.48660%0.599SS.*PPolyproline II helixtrans-54.4119.5-178.6-178.267.928.300110.2F102 G118Q100-F102 HydrophobicContact CB-CE2 3.87Å; Q100-F102 HydrophobicContact CB-CZ 4.12Å; Q100-F102 HydrophobicContact CG-CD2 4.49Å; Q100-F102 HydrophobicContact CG-CE1 4.22Å; Q100-F102 HydrophobicContact CG-CE2 3.87Å; Q100-F102 HydrophobicContact CG-CZ 3.72Å; Q100-F102 WeakPolarHBondContact O-CD2 2.97Å; Q100-F102 WeakPolarHBondContact O-CE2 3.3Å; Q100-F102 PolarHBondContact O-N 2.82Å; Q100-G118 VanDerWaalsContact O-CA 3.3Å; Q100-G118 WeakPolarHBondContact O-CA 3.47Å; Q100-G118 PolarHBondContact O-N 2.87Å
101A77.1Confident62.6Low43 Ų4398.4 Ų98.436%0.35558%0.579SS.*EExtended strand (participates in β ladder)trans-72.2122.9176.300000110.5G99 Q115 L117G99-A101 PolarHBondContact O-N 3.26Å; G99-A101 VanDerWaalsContact O-N 3.07Å; A101-Q115 HydrophobicContact CB-CG 4.07Å; A101-Q115 VanDerWaalsContact CB-NE2 3.28Å; A101-L117 HydrophobicContact CB-CD1 4.42Å
102F78.4Confident63.1Low113 Ų11397 Ų9750%0.49659%0.592SS.*EExtended strand (participates in β ladder)trans-107.2138171.1-65.1-81.4000109.3Q100 V104 V116Q100-F102 HydrophobicContact CB-CE2 3.87Å; Q100-F102 HydrophobicContact CB-CZ 4.12Å; Q100-F102 HydrophobicContact CG-CD2 4.49Å; Q100-F102 HydrophobicContact CG-CE1 4.22Å; Q100-F102 HydrophobicContact CG-CE2 3.87Å; Q100-F102 HydrophobicContact CG-CZ 3.72Å; Q100-F102 WeakPolarHBondContact O-CD2 2.97Å; Q100-F102 WeakPolarHBondContact O-CE2 3.3Å; Q100-F102 PolarHBondContact O-N 2.82Å; F102-V104 HydrophobicContact CB-CG2 4.42Å; F102-V116 PolarHBondContact N-O 2.63Å; F102-V116 PolarHBondContact O-N 3.16Å
103Y80.4Confident64.2Low164 Ų16493.7 Ų93.764%0.64357%0.57SS**EExtended strand (participates in β ladder)trans-99.1112.3174.9-135.2-99.9000108.1G113 Q115Y103-G113 WeakPolarHBondContact CE1-O 3.21Å; Y103-G113 PolarHBondContact OH-O 2.97Å; Y103-Q115 HydrophobicContact CD2-CB 4.03Å; Y103-Q115 HydrophobicContact CD2-CG 4.39Å; Y103-Q115 HydrophobicContact CE2-CB 3.82Å
104V77.8Confident65.5Low88 Ų8893.5 Ų93.553%0.53357%0.565SS.*EExtended strand (participates in β ladder)trans-112.5124-177-1660000108.2F102 Q114 V116F102-V104 HydrophobicContact CB-CG2 4.42Å; V104-Q114 PolarHBondContact N-O 3.03Å; V104-Q114 PolarHBondContact O-N 3.07Å; V104-V116 HydrophobicContact CB-CG2 4.09Å; V104-V116 HydrophobicContact CG2-CB 4.03Å; V104-V116 HydrophobicContact CG2-CG2 3.76Å
105G68.1Low67Low51 Ų5191.8 Ų91.853%0.52655%0.552SS.*  trans99.460.6175.800000115G112 G113G105-G112 CarbonylContact O-C 3.48Å; G105-G113 WeakPolarHBondContact O-CA 3.43Å; G105-G113 PolarHBondContact O-N 2.74Å
106G67.4Low68.2Low68 Ų6889.2 Ų89.270%0.70155%0.545SS*.  trans-109.1112.7165.500000110
107S62.8Low69.4Low66 Ų6690.3 Ų90.346%0.46254%0.544SS..  trans-77.6150.6166.861.10000110.1T109 G110S107-T109 PolarHBondContact O-N 3.37Å; S107-T109 PolarHBondContact OG-OG1 3.38Å; S107-G110 PolarHBondContact O-N 3.3Å; S107-G110 VanDerWaalsContact O-N 3.13Å
108E68.7Low70.1Confident208 Ų20886 Ų8697%0.97252%0.522SS*.THydrogen-bonded Turntrans-54.3-21175.4-59.7179.4148.800112.7
109T61.6Low70.8Confident124 Ų12485.5 Ų85.576%0.76153%0.532SS*.THydrogen-bonded Turntrans-100.447.7175.851.90000113.5S107 G111S107-T109 PolarHBondContact O-N 3.37Å; S107-T109 PolarHBondContact OG-OG1 3.38Å; T109-G111 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 3.46Å
110G53.5Low70.8Confident81 Ų8189.8 Ų89.884%0.83556%0.558SS**  trans5728.4157.600000118.1S107S107-G110 PolarHBondContact O-N 3.3Å; S107-G110 VanDerWaalsContact O-N 3.13Å
111G51.9Low70Confident38 Ų3893 Ų9339%0.39257%0.566SS.*PPolyproline II helixtrans-96.1131176.200000111.4T109 G113T109-G111 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 3.46Å; G111-G113 PolarHBondContact O-N 3.06Å
112G60.1Low68.8Low84 Ų84102.4 Ų102.487%0.86659%0.593SS**PPolyproline II helixtrans-51122.8-166.600000116G105G105-G112 CarbonylContact O-C 3.48Å
113G72.1Confident67.2Low15 Ų1598.6 Ų98.616%0.15559%0.585CS.*PPolyproline II helixtrans-82.6152.9167.400000112.6Y103 G105 G111Y103-G113 WeakPolarHBondContact CE1-O 3.21Å; Y103-G113 PolarHBondContact OH-O 2.97Å; G105-G113 WeakPolarHBondContact O-CA 3.43Å; G105-G113 PolarHBondContact O-N 2.74Å; G111-G113 PolarHBondContact O-N 3.06Å
114Q80.2Confident65.6Low137 Ų13798.6 Ų98.664%0.6460%0.596SS**EExtended strand (participates in β ladder)trans-94.7128.3176.8-178.260.846.600108.6V104 V116V104-Q114 PolarHBondContact N-O 3.03Å; V104-Q114 PolarHBondContact O-N 3.07Å; Q114-V116 HydrophobicContact CG-CG2 4.41Å; Q114-V116 PolarHBondContact O-N 3.17Å
115Q82.3Confident64.3Low116 Ų11699 Ų9954%0.54260%0.595SS.*EExtended strand (participates in β ladder)trans-70.1115166.7-169.9176.10.800108.1A101 Y103A101-Q115 HydrophobicContact CB-CG 4.07Å; A101-Q115 VanDerWaalsContact CB-NE2 3.28Å; Y103-Q115 HydrophobicContact CD2-CB 4.03Å; Y103-Q115 HydrophobicContact CD2-CG 4.39Å; Y103-Q115 HydrophobicContact CE2-CB 3.82Å
116V79.9Confident63.5Low68 Ų68105.9 Ų105.941%0.41261%0.611SS.*EExtended strand (participates in β ladder)trans-104.9115.7172.7-179.60000106.8F102 V104 Q114 G118F102-V116 PolarHBondContact N-O 2.63Å; F102-V116 PolarHBondContact O-N 3.16Å; V104-V116 HydrophobicContact CB-CG2 4.09Å; V104-V116 HydrophobicContact CG2-CB 4.03Å; V104-V116 HydrophobicContact CG2-CG2 3.76Å; Q114-V116 HydrophobicContact CG-CG2 4.41Å; Q114-V116 PolarHBondContact O-N 3.17Å; V116-G118 PolarHBondContact O-N 3.37Å
117L79.6Confident62.8Low104 Ų104110 Ų11055%0.54561%0.609SS.*EExtended strand (participates in β ladder)trans-69.8120.1172.1-159.171.5000107.6G99 A101G99-L117 WeakPolarHBondContact O-CD1 3.43Å; A101-L117 HydrophobicContact CB-CD1 4.42Å
118G71.7Confident62.5Low6 Ų6114.4 Ų114.46%0.06263%0.626CS.*PPolyproline II helixtrans-57.6161.3170.200000110.2Q100 V116Q100-G118 VanDerWaalsContact O-CA 3.3Å; Q100-G118 WeakPolarHBondContact O-CA 3.47Å; Q100-G118 PolarHBondContact O-N 2.87Å; V116-G118 PolarHBondContact O-N 3.37Å
119P72.4Confident61.9Low114 Ų114108 Ų10874%0.7460%0.596SS**PPolyproline II helixtrans-47.5136.7173.9-22.631.3000109R121P119-R121 PolarHBondContact O-N 3.1Å
120P64.3Low61.8Low93 Ų93105.6 Ų105.660%0.60458%0.578SS**PPolyproline II helixtrans-51.4126.7176.522.8-32.2000106.9R122P120-R122 PolarHBondContact O-N 3.42Å
121R59.5Low62.3Low173 Ų173102.9 Ų102.965%0.65355%0.546SS*.PPolyproline II helixtrans-54.3118.8161.3-78.1-175.5148.5148.9-4.3103.2P119 G123P119-R121 PolarHBondContact O-N 3.1Å; R121-G123 PolarHBondContact O-N 2.91Å
122R52.2Low62.7Low240 Ų240104.5 Ų104.591%0.90655%0.552SS**  trans-58.496.2170.8-74.8-172.1179.2-168.30.8103.9P120 D124P120-R122 PolarHBondContact O-N 3.42Å; R122-D124 PolarHBondContact O-N 3.28Å
123G43.9Very low62.9Low33 Ų33107.7 Ų107.734%0.3454%0.544SS..  trans-53.8127.8-17000000106.9R121 N125R121-G123 PolarHBondContact O-N 2.91Å; G123-N125 PolarHBondContact O-N 3.03Å
124D48.6Very low62.9Low163 Ų163109.4 Ų109.487%0.87255%0.551SS**  trans-61.354.1164.4-72.1-57.1000109.7R122 K126R122-D124 PolarHBondContact O-N 3.28Å; D124-K126 PolarHBondContact O-N 3.3Å
125N49.2Very low62.7Low96 Ų96104.1 Ų104.151%0.51353%0.529SS..  trans-68.782.6155.8-86.2-58.7000105.2G123 K127G123-N125 PolarHBondContact O-N 3.03Å; N125-K127 PolarHBondContact O-N 3.22Å
126K52Low62.5Low196 Ų196101.5 Ų101.585%0.85252%0.519SS*.  trans-6343.1168.6-148.3-179.5-166.6-179.70110.3D124 I128D124-K126 PolarHBondContact O-N 3.3Å; K126-I128 VanDerWaalsContact C-N 3.31Å; K126-I128 PolarHBondContact O-N 2.77Å
127K53.3Low62.6Low154 Ų154100.2 Ų100.267%0.6751%0.511SS*.  trans-68.4102161.1-68.6-174.4-178-179.80103.6N125 H129N125-K127 PolarHBondContact O-N 3.22Å; K127-H129 PolarHBondContact O-CD2 3.16Å; K127-H129 PolarHBondContact O-N 3.33Å
128I55.1Low62.8Low159 Ų15996.2 Ų96.282%0.81549%0.489SS*.  trans-50.499.7168.5-63.4163.4000105.1K126 D130K126-I128 VanDerWaalsContact C-N 3.31Å; K126-I128 PolarHBondContact O-N 2.77Å; I128-D130 PolarHBondContact O-N 3.08Å
129H56.7Low63.5Low73 Ų7396 Ų9634%0.33849%0.486SS..  trans-66.2120176.9-83.1-83.5000105.8K127 P131K127-H129 PolarHBondContact O-CD2 3.16Å; K127-H129 PolarHBondContact O-N 3.33Å; H129-P131 WeakPolarHBondContact O-CD 3.37Å; H129-P131 VanDerWaalsContact O-N 3.12Å
130D60Low64.1Low74 Ų7496.8 Ų96.840%0.39648%0.475SS..  trans-57.3117.5174.5-172.3-20.8000107.4I128 S132 Q133I128-D130 PolarHBondContact O-N 3.08Å; D130-S132 PolarHBondContact O-N 2.79Å; D130-S132 WeakPolarHBondContact OD1-CB 3.34Å; D130-S132 PolarHBondContact OD1-N 2.73Å; D130-S132 PolarHBondContact OD1-OG 3.01Å; D130-S132 PolarHBondContact OD2-OG 3.02Å; D130-Q133 PolarHBondContact O-N 2.71Å
131P63.3Low65.1Low24 Ų2496.2 Ų96.216%0.15647%0.467CS..THydrogen-bonded Turntrans-61.9-15.7-174.527.1-36.7000112.4H129 F138 Y226H129-P131 WeakPolarHBondContact O-CD 3.37Å; H129-P131 VanDerWaalsContact O-N 3.12Å; P131-F138 HydrophobicContact CB-CB 4.42Å; P131-F138 HydrophobicContact CB-CD1 3.87Å; P131-F138 HydrophobicContact CB-CD2 3.87Å; P131-F138 HydrophobicContact CB-CE1 4.07Å; P131-F138 HydrophobicContact CB-CE2 4.07Å; P131-F138 HydrophobicContact CB-CG 3.78Å; P131-F138 HydrophobicContact CB-CZ 4.17Å; P131-Y226 HydrophobicContact CB-CD2 4.22Å; P131-Y226 HydrophobicContact CB-CG 3.89Å
132S61.2Low66.4Low73 Ų7388 Ų8851%0.5144%0.436SS..THydrogen-bonded Turntrans-78.5-26.2176.567.10000114.7D130D130-S132 PolarHBondContact O-N 2.79Å; D130-S132 WeakPolarHBondContact OD1-CB 3.34Å; D130-S132 PolarHBondContact OD1-N 2.73Å; D130-S132 PolarHBondContact OD1-OG 3.01Å; D130-S132 PolarHBondContact OD2-OG 3.02Å
133Q62.9Low68Low151 Ų15179.3 Ų79.371%0.70640%0.404SS*.THydrogen-bonded Turntrans-95.4-35.2-174-71.1-177.14300113.3D130D130-Q133 PolarHBondContact O-N 2.71Å
134T73.5Confident70.1Confident50 Ų5083.8 Ų83.831%0.30742%0.416SS..  trans-139.674.2-177.654.20000109.7D136 V137 F138T134-D136 PolarHBondContact O-N 3.17Å; T134-V137 PolarHBondContact O-N 2.9Å; T134-F138 PolarHBondContact O-N 2.9Å
135P74.5Confident71.8Confident27 Ų2777.8 Ų77.818%0.17539%0.389CS..Hα-helixtrans-58.5-38.6-178.823.2-32.8000110.9V137 F138 I139 R213 Y226P135-V137 VanDerWaalsContact C-N 3.35Å; P135-V137 PolarHBondContact O-N 2.46Å; P135-F138 PolarHBondContact O-N 2.68Å; P135-I139 HydrophobicContact CB-CD1 4.34Å; P135-I139 WeakPolarHBondContact O-CB 3.25Å; P135-I139 WeakPolarHBondContact O-CD1 3.41Å; P135-I139 WeakPolarHBondContact O-CG1 3.08Å; P135-I139 PolarHBondContact O-N 3.34Å; P135-R213 WeakPolarHBondContact CB-O 3.42Å; P135-Y226 HydrophobicContact CB-CE2 4.44Å
136D79.5Confident73.6Confident61 Ų6173.7 Ų73.733%0.32637%0.369SS..Hα-helixtrans-61.3-41179.9-48.1-28.5000113.1T134 R140 H264T134-D136 PolarHBondContact O-N 3.17Å; D136-R140 VanDerWaalsContact CB-NH2 3.28Å; D136-R140 VanDerWaalsContact O-CB 3.28Å; D136-R140 WeakPolarHBondContact O-CB 3.31Å; D136-R140 WeakPolarHBondContact O-CG 3.19Å; D136-R140 PolarHBondContact O-N 3.28Å; D136-R140 PolarHBondContact O-NE 2.94Å; D136-H264 IonicContact OD1-CD2 3.43Å; D136-H264 PolarHBondContact OD1-CD2 2.96Å; D136-H264 VanDerWaalsContact OD1-CD2 3.28Å; D136-H264 IonicContact OD1-CG 3.28Å
137V82.2Confident75.2Confident40 Ų4070.3 Ų70.324%0.24235%0.354CS..Hα-helixtrans-73.5-41.2-179.9179.40000109.7T134 P135 N141T134-V137 PolarHBondContact O-N 2.9Å; P135-V137 VanDerWaalsContact C-N 3.35Å; P135-V137 PolarHBondContact O-N 2.46Å; V137-N141 VanDerWaalsContact O-CB 3.31Å; V137-N141 WeakPolarHBondContact O-CB 3.2Å; V137-N141 PolarHBondContact O-N 3.47Å; V137-N141 PolarHBondContact O-ND2 2.87Å
138F83.1Confident76.7Confident21 Ų2165.9 Ų65.99%0.09235%0.353CS..Hα-helixtrans-61.1-49176.7175-96.9000111.6P131 T134 P135 N141 L142 Y226 L235P131-F138 HydrophobicContact CB-CB 4.42Å; P131-F138 HydrophobicContact CB-CD1 3.87Å; P131-F138 HydrophobicContact CB-CD2 3.87Å; P131-F138 HydrophobicContact CB-CE1 4.07Å; P131-F138 HydrophobicContact CB-CE2 4.07Å; P131-F138 HydrophobicContact CB-CG 3.78Å; P131-F138 HydrophobicContact CB-CZ 4.17Å; T134-F138 PolarHBondContact O-N 2.9Å; P135-F138 PolarHBondContact O-N 2.68Å; F138-N141 PolarHBondContact O-N 2.86Å; F138-L142 WeakPolarHBondContact O-CB 3.28Å; F138-L142 PolarHBondContact O-N 3.31Å; F138-Y226 HydrophobicContact CE1-CD1 4.2Å; F138-Y226 HydrophobicContact CE1-CE1 4.23Å; F138-L235 HydrophobicContact CE1-CD1 4.03Å; F138-L235 HydrophobicContact CZ-CD1 3.96Å
139I85.3Confident78.1Confident0 Ų065 Ų650%034%0.343CS..Hα-helixtrans-63-49179.1-65.9164.7000109.5P135 N141 L142 F143 M211 Y226 H264P135-I139 HydrophobicContact CB-CD1 4.34Å; P135-I139 WeakPolarHBondContact O-CB 3.25Å; P135-I139 WeakPolarHBondContact O-CD1 3.41Å; P135-I139 WeakPolarHBondContact O-CG1 3.08Å; P135-I139 PolarHBondContact O-N 3.34Å; I139-N141 VanDerWaalsContact C-N 3.27Å; I139-N141 PolarHBondContact O-N 3.1Å; I139-L142 WeakPolarHBondContact O-CA 3.22Å; I139-L142 VanDerWaalsContact O-CB 3.32Å; I139-L142 WeakPolarHBondContact O-CB 3.31Å; I139-L142 PolarHBondContact O-N 3.05Å; I139-F143 HydrophobicContact CG2-CD2 3.61Å; I139-F143 HydrophobicContact CG2-CE2 3.46Å; I139-F143 VanDerWaalsContact CG2-CE2 3.46Å; I139-F143 VanDerWaalsContact O-CD2 3.26Å; I139-F143 WeakPolarHBondContact O-CD2 3.47Å; I139-F143 PolarHBondContact O-N 3.07Å; I139-M211 HydrophobicContact CD1-CB 4.24Å; I139-M211 HydrophobicContact CG1-CB 4.28Å; I139-M211 HydrophobicContact CG1-CE 4.11Å; I139-M211 HydrophobicContact CG2-CB 3.99Å; I139-M211 HydrophobicContact CG2-CG 4.47Å; I139-Y226 WeakPolarHBondContact CD1-OH 3.45Å; I139-H264 HydrophobicContact CD1-CB 3.48Å; I139-H264 VanDerWaalsContact CD1-CB 3.48Å
140R85.4Confident79Confident132 Ų13264.9 Ų64.950%0.49836%0.361SS..Hα-helixtrans-56.1-41.3175.2-77.4-177.3-114.2137.8-9.4112.8D136 Q144D136-R140 VanDerWaalsContact CB-NH2 3.28Å; D136-R140 VanDerWaalsContact O-CB 3.28Å; D136-R140 WeakPolarHBondContact O-CB 3.31Å; D136-R140 WeakPolarHBondContact O-CG 3.19Å; D136-R140 PolarHBondContact O-N 3.28Å; D136-R140 PolarHBondContact O-NE 2.94Å; R140-Q144 VanDerWaalsContact O-CB 3.31Å; R140-Q144 WeakPolarHBondContact O-CB 3.47Å; R140-Q144 PolarHBondContact O-N 3.4Å
141N86.1Confident80Confident81 Ų8163.9 Ų63.943%0.43336%0.363SS..Hα-helixtrans-67.9-37.2176.3-73.1-16.9000112.3V137 F138 I139 Q144 A145V137-N141 VanDerWaalsContact O-CB 3.31Å; V137-N141 WeakPolarHBondContact O-CB 3.2Å; V137-N141 PolarHBondContact O-N 3.47Å; V137-N141 PolarHBondContact O-ND2 2.87Å; F138-N141 PolarHBondContact O-N 2.86Å; I139-N141 VanDerWaalsContact C-N 3.27Å; I139-N141 PolarHBondContact O-N 3.1Å; N141-Q144 PolarHBondContact O-N 3.01Å; N141-A145 VanDerWaalsContact O-CB 3.22Å; N141-A145 WeakPolarHBondContact O-CB 3.45Å; N141-A145 PolarHBondContact O-N 3.47Å
142L86.3Confident81Confident0 Ų070 Ų700%039%0.39CS..Hα-helixtrans-60.6-50173.6173.471.6000111F138 I139 Q144 A145 A146 M211 L235 I238 Q239 L260F138-L142 WeakPolarHBondContact O-CB 3.28Å; F138-L142 PolarHBondContact O-N 3.31Å; I139-L142 WeakPolarHBondContact O-CA 3.22Å; I139-L142 VanDerWaalsContact O-CB 3.32Å; I139-L142 WeakPolarHBondContact O-CB 3.31Å; I139-L142 PolarHBondContact O-N 3.05Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.03Å; L142-A145 PolarHBondContact O-N 3.03Å; L142-A146 WeakPolarHBondContact O-CB 3.4Å; L142-A146 PolarHBondContact O-N 2.91Å; L142-M211 HydrophobicContact CD2-CE 3.33Å; L142-M211 HydrophobicContact CD2-CG 4.36Å; L142-M211 HydrophobicContact CD2-SD 3.86Å; L142-L235 HydrophobicContact CD2-CD2 4Å; L142-I238 HydrophobicContact CD1-CB 4.25Å; L142-I238 HydrophobicContact CD1-CG2 3.82Å; L142-I238 HydrophobicContact CG-CG2 4.44Å; L142-Q239 HydrophobicContact CD1-CB 4.28Å; L142-Q239 HydrophobicContact CD1-CG 3.23Å; L142-L260 HydrophobicContact CD2-CD1 4.48Å; L142-L260 HydrophobicContact CD2-CD2 3.99Å; L142-L260 HydrophobicContact CG-CD2 4.08Å
143F86.4Confident82Confident57 Ų5771.4 Ų71.425%0.2540%0.395CS..Hα-helixtrans-61.6-41.4176.9-83.8-86.4000111.8I139 K147 M211 L260 D262I139-F143 HydrophobicContact CG2-CD2 3.61Å; I139-F143 HydrophobicContact CG2-CE2 3.46Å; I139-F143 VanDerWaalsContact CG2-CE2 3.46Å; I139-F143 VanDerWaalsContact O-CD2 3.26Å; I139-F143 WeakPolarHBondContact O-CD2 3.47Å; I139-F143 PolarHBondContact O-N 3.07Å; F143-K147 VanDerWaalsContact O-CB 3.25Å; F143-K147 WeakPolarHBondContact O-CB 3.41Å; F143-K147 PolarHBondContact O-N 3.26Å; F143-M211 HydrophobicContact CE2-CB 4.49Å; F143-M211 HydrophobicContact CE2-CG 4.13Å; F143-M211 HydrophobicContact CZ-CG 4.48Å; F143-L260 HydrophobicContact CD1-CD2 3.72Å; F143-L260 HydrophobicContact CD1-CG 4.25Å; F143-L260 HydrophobicContact CD2-CD2 3.98Å; F143-L260 HydrophobicContact CE1-CB 3.77Å; F143-L260 HydrophobicContact CE1-CD2 3.52Å; F143-L260 HydrophobicContact CE1-CG 3.53Å; F143-L260 HydrophobicContact CE2-CD2 3.78Å; F143-L260 HydrophobicContact CE2-CG 3.95Å; F143-L260 HydrophobicContact CG-CD2 3.94Å; F143-L260 HydrophobicContact CZ-CB 4.04Å; F143-L260 HydrophobicContact CZ-CD2 3.55Å; F143-L260 HydrophobicContact CZ-CG 3.35Å; F143-D262 HydrophobicContact CE1-CB 4.43Å; F143-D262 HydrophobicContact CE2-CB 3.67Å; F143-D262 HydrophobicContact CZ-CB 3.6Å
144Q86.7Confident82.9Confident127 Ų12766.7 Ų66.759%0.59338%0.375SS*.Hα-helixtrans-66.2-40.7176.9-173.662.930.300112.1R140 N141 L142 G148R140-Q144 VanDerWaalsContact O-CB 3.31Å; R140-Q144 WeakPolarHBondContact O-CB 3.47Å; R140-Q144 PolarHBondContact O-N 3.4Å; N141-Q144 PolarHBondContact O-N 3.01Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.03Å; Q144-G148 PolarHBondContact O-N 2.77Å
145A86.2Confident83.4Confident37 Ų3769.8 Ų69.831%0.30639%0.389SS..Hα-helixtrans-65.4-47176.500000111.1N141 L142 K147 G148 K149 Q239N141-A145 VanDerWaalsContact O-CB 3.22Å; N141-A145 WeakPolarHBondContact O-CB 3.45Å; N141-A145 PolarHBondContact O-N 3.47Å; L142-A145 PolarHBondContact O-N 3.03Å; A145-K147 PolarHBondContact O-N 3.03Å; A145-G148 PolarHBondContact O-N 2.86Å; A145-K149 VanDerWaalsContact O-CG 3.32Å; A145-K149 WeakPolarHBondContact O-CG 3.11Å; A145-K149 PolarHBondContact O-N 3.01Å; A145-Q239 HydrophobicContact CB-CB 4.5Å
146A85.1Confident83.6Confident10 Ų1074.1 Ų74.18%0.08342%0.415CS..Hα-helixtrans-59.5-46.8175.900000111.3L142 G148 K149 G150 A151L142-A146 WeakPolarHBondContact O-CB 3.4Å; L142-A146 PolarHBondContact O-N 2.91Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 2.74Å; A146-K149 PolarHBondContact O-N 3.38Å; A146-G150 PolarHBondContact O-N 2.63Å; A146-A151 VanDerWaalsContact C-CB 3.47Å; A146-A151 HydrophobicContact CB-CB 4Å; A146-A151 WeakPolarHBondContact O-CB 3.5Å; A146-A151 PolarHBondContact O-N 2.8Å
147K86.3Confident83.6Confident125 Ų12577.9 Ų77.954%0.54343%0.43SS..Hα-helixtrans-60.8-38.7175.6-172.7173.7-177.6171.80112.2F143 A145 K149 V153F143-K147 VanDerWaalsContact O-CB 3.25Å; F143-K147 WeakPolarHBondContact O-CB 3.41Å; F143-K147 PolarHBondContact O-N 3.26Å; A145-K147 PolarHBondContact O-N 3.03Å; K147-K149 VanDerWaalsContact C-N 3.26Å; K147-K149 PolarHBondContact O-N 3.33Å; K147-V153 HydrophobicContact CD-CG2 4.2Å
148G85.5Confident83.5Confident62 Ų6279.4 Ų79.464%0.63944%0.435SS*.Hα-helixtrans-69.1-20175.600000114.5Q144 A145 A146Q144-G148 PolarHBondContact O-N 2.77Å; A145-G148 PolarHBondContact O-N 2.86Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 2.74Å
149K83.9Confident83.3Confident140 Ų14080.2 Ų80.261%0.60944%0.438SS*.THydrogen-bonded Turntrans-101.95.2-179.4-66-65.2-177-179.90114.2A145 A146 K147A145-K149 VanDerWaalsContact O-CG 3.32Å; A145-K149 WeakPolarHBondContact O-CG 3.11Å; A145-K149 PolarHBondContact O-N 3.01Å; A146-K149 PolarHBondContact O-N 3.38Å; K147-K149 VanDerWaalsContact C-N 3.26Å; K147-K149 PolarHBondContact O-N 3.33Å
150G76.3Confident83Confident70 Ų7084.6 Ų84.672%0.72246%0.461SS*.THydrogen-bonded Turntrans109.813.1174.400000115.2A146A146-G150 PolarHBondContact O-N 2.63Å
151A80.4Confident82.8Confident53 Ų5382.3 Ų82.344%0.43846%0.456SS..  trans-70.7128.3167.700000110.5A146A146-A151 VanDerWaalsContact C-CB 3.47Å; A146-A151 HydrophobicContact CB-CB 4Å; A146-A151 WeakPolarHBondContact O-CB 3.5Å; A146-A151 PolarHBondContact O-N 2.8Å
152E83.4Confident82.2Confident154 Ų15482 Ų8272%0.7245%0.45SS*.  trans-85.3142.1174.2-175.5165.3-159.700110.5L154E152-L154 PolarHBondContact O-N 2.87Å
153V83.5Confident81.7Confident102 Ų10285.1 Ų85.162%0.61846%0.463SS*.  trans-86.7110.1173.8-179.10000106.9K147K147-V153 HydrophobicContact CD-CG2 4.2Å
154L81.1Confident80.9Confident52 Ų5285.2 Ų85.227%0.27247%0.471SS..  trans-78.3137.2-179.2-65.2172.5000111E152 E158 Y162 M259E152-L154 PolarHBondContact O-N 2.87Å; L154-E158 HydrophobicContact CB-CB 4.44Å; L154-E158 HydrophobicContact CD2-CB 4.2Å; L154-E158 WeakPolarHBondContact CD2-OE2 3.25Å; L154-Y162 HydrophobicContact CD1-CD2 3.98Å; L154-Y162 HydrophobicContact CD1-CE2 4.26Å; L154-Y162 HydrophobicContact CD2-CD2 4.3Å; L154-Y162 HydrophobicContact CD2-CE2 3.84Å; L154-M259 HydrophobicContact CD1-CE 3.45Å; L154-M259 VanDerWaalsContact CD1-CE 3.45Å; L154-M259 HydrophobicContact CD1-CG 4.4Å
155D83.7Confident80.1Confident114 Ų11483.3 Ų83.361%0.6146%0.46SS*.  trans-69158.4169.5-79.7-21.8000110.9H157 E158 Y159D155-H157 PolarHBondContact O-N 2.9Å; D155-H157 VanDerWaalsContact O-N 3.16Å; D155-E158 PolarHBondContact O-N 3.34Å; D155-E158 VanDerWaalsContact O-N 3.1Å; D155-Y159 WeakPolarHBondContact O-CB 3.44Å; D155-Y159 PolarHBondContact O-N 2.91Å
156T80.1Confident78.9Confident118 Ų11883.8 Ų83.872%0.72446%0.462SS*.Hα-helixtrans-55.6-34.5178.623.40000112.9N160T156-N160 WeakPolarHBondContact O-CB 3.42Å; T156-N160 VanDerWaalsContact O-CG 3.29Å; T156-N160 PolarHBondContact O-N 2.87Å; T156-N160 VanDerWaalsContact O-N 3.17Å; T156-N160 PolarHBondContact O-ND2 2.81Å
157H79.5Confident77.7Confident140 Ų14090.6 Ų90.665%0.64849%0.49SS*.Hα-helixtrans-67.7-48.6176.1-176.3-88.6000111.9D155 N160 E161D155-H157 PolarHBondContact O-N 2.9Å; D155-H157 VanDerWaalsContact O-N 3.16Å; H157-N160 PolarHBondContact O-N 2.8Å; H157-E161 PolarHBondContact O-N 3.45Å
158E78.6Confident76.4Confident73 Ų7392.4 Ų92.434%0.34150%0.497SS..Hα-helixtrans-64.4-44179.1-65.3-175.1152.300111.2L154 D155 N160 E161 Y162L154-E158 HydrophobicContact CB-CB 4.44Å; L154-E158 HydrophobicContact CD2-CB 4.2Å; L154-E158 WeakPolarHBondContact CD2-OE2 3.25Å; D155-E158 PolarHBondContact O-N 3.34Å; D155-E158 VanDerWaalsContact O-N 3.1Å; E158-N160 VanDerWaalsContact C-N 3.29Å; E158-N160 PolarHBondContact O-N 3.18Å; E158-E161 WeakPolarHBondContact O-CA 3.32Å; E158-E161 WeakPolarHBondContact O-CB 3.44Å; E158-E161 PolarHBondContact O-N 3.4Å; E158-Y162 HydrophobicContact CB-CD2 4.45Å; E158-Y162 HydrophobicContact CB-CE2 4.35Å; E158-Y162 WeakPolarHBondContact O-CD2 3.2Å; E158-Y162 PolarHBondContact O-N 3.24Å
159Y79.4Confident75.1Confident37 Ų3797.2 Ų97.215%0.14550%0.503CS..Hα-helixtrans-53.5-46.5174.7171.7-90000111.8D155 E161 Y162 K163 M259 E261D155-Y159 WeakPolarHBondContact O-CB 3.44Å; D155-Y159 PolarHBondContact O-N 2.91Å; Y159-E161 VanDerWaalsContact C-N 3.34Å; Y159-E161 PolarHBondContact O-N 3.25Å; Y159-Y162 PolarHBondContact O-N 2.84Å; Y159-K163 HydrophobicContact CE1-CD 3.75Å; Y159-K163 VanDerWaalsContact O-CB 3.31Å; Y159-K163 WeakPolarHBondContact O-CB 3.46Å; Y159-K163 PolarHBondContact O-N 3.33Å; Y159-K163 WeakPolarHBondContact OH-CD 3.47Å; Y159-K163 WeakPolarHBondContact OH-CE 3.43Å; Y159-K163 PolarHBondContact OH-NZ 2.89Å; Y159-M259 HydrophobicContact CD2-CE 3.48Å; Y159-M259 VanDerWaalsContact CD2-CE 3.48Å; Y159-M259 HydrophobicContact CE2-CE 4Å; Y159-M259 HydrophobicContact CG-CE 4.23Å; Y159-E261 HydrophobicContact CE2-CG 3.96Å; Y159-E261 WeakPolarHBondContact CE2-OE1 3.05Å; Y159-E261 PolarHBondContact OH-OE1 2.89Å; Y159-E261 PolarHBondContact OH-OE2 3.49Å
160N80Confident74.1Confident93 Ų9396.7 Ų96.750%0.49751%0.507SS..Hα-helixtrans-66.2-35.1177.6-77.1-34.6000112.6T156 H157 E158 S164T156-N160 WeakPolarHBondContact O-CB 3.42Å; T156-N160 VanDerWaalsContact O-CG 3.29Å; T156-N160 PolarHBondContact O-N 2.87Å; T156-N160 VanDerWaalsContact O-N 3.17Å; T156-N160 PolarHBondContact O-ND2 2.81Å; H157-N160 PolarHBondContact O-N 2.8Å; E158-N160 VanDerWaalsContact C-N 3.29Å; E158-N160 PolarHBondContact O-N 3.18Å; N160-S164 VanDerWaalsContact O-CB 3.22Å; N160-S164 WeakPolarHBondContact O-CB 3.15Å; N160-S164 PolarHBondContact O-N 3.36Å; N160-S164 PolarHBondContact O-OG 2.89Å
161E80.8Confident73.6Confident83 Ų83100.2 Ų100.239%0.38852%0.517SS..Hα-helixtrans-64.7-49.1174.3-166.6-173.814800111.4H157 E158 Y159 K163 S164 K165H157-E161 PolarHBondContact O-N 3.45Å; E158-E161 WeakPolarHBondContact O-CA 3.32Å; E158-E161 WeakPolarHBondContact O-CB 3.44Å; E158-E161 PolarHBondContact O-N 3.4Å; Y159-E161 VanDerWaalsContact C-N 3.34Å; Y159-E161 PolarHBondContact O-N 3.25Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.28Å; E161-S164 WeakPolarHBondContact CA-OG 3.46Å; E161-S164 PolarHBondContact O-N 3.47Å; E161-S164 PolarHBondContact O-OG 3.07Å; E161-K165 WeakPolarHBondContact O-CG 3.31Å; E161-K165 PolarHBondContact O-N 3.38Å; E161-K165 WeakPolarHBondContact OE1-CE 3.15Å; E161-K165 IonicContact OE1-NZ 2.63Å; E161-K165 PolarHBondContact OE1-NZ 2.91Å
162Y73.8Confident72.7Confident75 Ų75104.8 Ų104.829%0.29453%0.527SS..Hα-helixtrans-62.2-41.1177.7-76.8-71.1000112.2L154 E158 Y159 S166 N206 M259L154-Y162 HydrophobicContact CD1-CD2 3.98Å; L154-Y162 HydrophobicContact CD1-CE2 4.26Å; L154-Y162 HydrophobicContact CD2-CD2 4.3Å; L154-Y162 HydrophobicContact CD2-CE2 3.84Å; E158-Y162 HydrophobicContact CB-CD2 4.45Å; E158-Y162 HydrophobicContact CB-CE2 4.35Å; E158-Y162 WeakPolarHBondContact O-CD2 3.2Å; E158-Y162 PolarHBondContact O-N 3.24Å; Y159-Y162 PolarHBondContact O-N 2.84Å; Y162-S166 PolarHBondContact O-N 2.93Å; Y162-N206 PolarHBondContact O-ND2 2.85Å; Y162-M259 VanDerWaalsContact CB-CE 3.45Å; Y162-M259 HydrophobicContact CD2-CE 4.2Å; Y162-M259 HydrophobicContact CG-CE 4.09Å; Y162-M259 HydrophobicContact CG-SD 4.38Å
163K75Confident72Confident65 Ų65103.3 Ų103.328%0.28353%0.533SS..Hα-helixtrans-65.9-41.5176.4-168.3179.6-164.4161.30112Y159 E161 S166Y159-K163 HydrophobicContact CE1-CD 3.75Å; Y159-K163 VanDerWaalsContact O-CB 3.31Å; Y159-K163 WeakPolarHBondContact O-CB 3.46Å; Y159-K163 PolarHBondContact O-N 3.33Å; Y159-K163 WeakPolarHBondContact OH-CD 3.47Å; Y159-K163 WeakPolarHBondContact OH-CE 3.43Å; Y159-K163 PolarHBondContact OH-NZ 2.89Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.28Å; K163-S166 PolarHBondContact O-N 3.03Å; K163-S166 PolarHBondContact O-OG 2.8Å
164S70.6Confident71.2Confident59 Ų59100.4 Ų100.441%0.41353%0.525SS..Hα-helixtrans-70.6-33.4179.362.30000112.7N160 E161 S166 K167N160-S164 VanDerWaalsContact O-CB 3.22Å; N160-S164 WeakPolarHBondContact O-CB 3.15Å; N160-S164 PolarHBondContact O-N 3.36Å; N160-S164 PolarHBondContact O-OG 2.89Å; E161-S164 WeakPolarHBondContact CA-OG 3.46Å; E161-S164 PolarHBondContact O-N 3.47Å; E161-S164 PolarHBondContact O-OG 3.07Å; S164-S166 VanDerWaalsContact C-N 3.26Å; S164-S166 PolarHBondContact O-N 3.28Å; S164-K167 PolarHBondContact O-N 2.96Å; S164-K167 VanDerWaalsContact O-N 3.1Å
165K68.1Low70.7Confident87 Ų87102 Ų10238%0.37854%0.537SS..Hα-helixtrans-57.3-38.5171.8-77.1175.2-176.2165.70112.2E161 K167E161-K165 WeakPolarHBondContact O-CG 3.31Å; E161-K165 PolarHBondContact O-N 3.38Å; E161-K165 WeakPolarHBondContact OE1-CE 3.15Å; E161-K165 IonicContact OE1-NZ 2.63Å; E161-K165 PolarHBondContact OE1-NZ 2.91Å; K165-K167 VanDerWaalsContact C-N 3.27Å; K165-K167 PolarHBondContact O-N 3.17Å
166S62.1Low70Confident48 Ų4898.9 Ų98.934%0.33653%0.531SS..Hα-helixtrans-65.7-26.5177.577.60000114Y162 K163 S164Y162-S166 PolarHBondContact O-N 2.93Å; K163-S166 PolarHBondContact O-N 3.03Å; K163-S166 PolarHBondContact O-OG 2.8Å; S164-S166 VanDerWaalsContact C-N 3.26Å; S164-S166 PolarHBondContact O-N 3.28Å
167K59.5Low69.7Low153 Ų153101.8 Ų101.867%0.66553%0.53SS*.THydrogen-bonded Turntrans-94.1-0.3-175.2-70.8-172.2179.3-176.40114.7S164 K165 Q169S164-K167 PolarHBondContact O-N 2.96Å; S164-K167 VanDerWaalsContact O-N 3.1Å; K165-K167 VanDerWaalsContact C-N 3.27Å; K165-K167 PolarHBondContact O-N 3.17Å; K167-Q169 PolarHBondContact O-N 3.1Å
168K58.2Low69.7Low162 Ų162101.9 Ų101.970%0.70453%0.529SS*.  trans-75.357.5176.6-67.5-176.1-176178.50111.7
169Q59.9Low69.5Low164 Ų164107.5 Ų107.577%0.76656%0.56SS**  trans-75.3127.6160.9-64.5-64.2-2800107.1K167K167-Q169 PolarHBondContact O-N 3.1Å
170L63.1Low69.3Low129 Ų129109.6 Ų109.668%0.67559%0.593SS**  trans-59.1134.1176-70.1106.4000108.8F172L170-F172 PolarHBondContact O-N 3.35Å
171P65.5Low68.8Low144 Ų144109.2 Ų109.294%0.93559%0.591SS**SBendtrans-63.2-17.7-176.225.9-35000112.7
172F60.9Low68.2Low149 Ų149111.4 Ų111.465%0.65461%0.606SS**  trans-129.4114174.7-174.7-104.1000108.9L170 G174L170-F172 PolarHBondContact O-N 3.35Å; F172-G174 VanDerWaalsContact CE1-O 3.26Å; F172-G174 WeakPolarHBondContact CE1-O 3.48Å
173S68.6Low67.8Low122 Ų122116.4 Ų116.485%0.85364%0.636SS**  trans-112.7110.8163.8178.80000106.6
174G65.9Low67.3Low42 Ų42121 Ų12143%0.43366%0.664SS.*SBendtrans178139.9-177.400000109.9F172 G176F172-G174 VanDerWaalsContact CE1-O 3.26Å; F172-G174 WeakPolarHBondContact CE1-O 3.48Å; G174-G176 PolarHBondContact O-N 3.29Å
175T71.7Confident66.9Low86 Ų86120.5 Ų120.553%0.52866%0.664SS.*  trans-69.1123.9171.4-48.10000108.3
176G69Low66.5Low48 Ų48121.7 Ų121.750%0.49568%0.68SS.*  trans-82.3134.1172.700000110.8G174G174-G176 PolarHBondContact O-N 3.29Å
177Y72.6Confident66.2Low179 Ų179124 Ų12470%0.70269%0.694SS**  trans-104.8136.6173.7-65.7-88.6000109.8
178K81.3Confident65.7Low142 Ų142124.2 Ų124.262%0.61770%0.697SS**  trans-83139.6174.2-61.4-172.3-169177.30109.5G180 D181 E190K178-G180 PolarHBondContact O-N 3.33Å; K178-G180 VanDerWaalsContact O-N 3.12Å; K178-D181 WeakPolarHBondContact O-CB 3.31Å; K178-D181 PolarHBondContact O-N 2.65Å; K178-D181 VanDerWaalsContact O-N 3.14Å; K178-E190 WeakPolarHBondContact CE-OE2 2.95Å; K178-E190 IonicContact NZ-OE2 3.02Å; K178-E190 PolarHBondContact NZ-OE2 3.27Å
179L73.8Confident65.4Low190 Ų190123.3 Ų123.3100%0.99570%0.7SS**THydrogen-bonded Turntrans-64113.6176.5-173.272.2000109.2
180G74.8Confident64.6Low82 Ų82120.9 Ų120.985%0.84569%0.688SS**THydrogen-bonded Turntrans112.9-1-17600000114.8K178K178-G180 PolarHBondContact O-N 3.33Å; K178-G180 VanDerWaalsContact O-N 3.12Å
181D69.9Low63.5Low85 Ų85117.8 Ų117.846%0.45568%0.681SS.*  trans-77.4137.5172.3-153.56.9000110.9K178 L183K178-D181 WeakPolarHBondContact O-CB 3.31Å; K178-D181 PolarHBondContact O-N 2.65Å; K178-D181 VanDerWaalsContact O-N 3.14Å; D181-L183 PolarHBondContact O-N 3.43Å
182D67.5Low62.2Low129 Ų129116.7 Ų116.769%0.6967%0.672SS**  trans-72.4122.9-173.2-113.8-29.1000110.1N184 A185D182-N184 PolarHBondContact O-N 3.46Å; D182-A185 HydrophobicContact CB-CB 4.26Å; D182-A185 PolarHBondContact O-N 2.98Å
183L66.1Low61.2Low180 Ų180114.1 Ų114.194%0.94267%0.669SS**THydrogen-bonded Turntrans-61.6-7.6-178-68.5170.9000114.4D181D181-L183 PolarHBondContact O-N 3.43Å
184N64.8Low59.8Low160 Ų160112.7 Ų112.786%0.85666%0.664SS**THydrogen-bonded Turntrans-1140.3-177.2-145.414.7000113D182D182-N184 PolarHBondContact O-N 3.46Å
185A61.6Low58.4Low50 Ų50115.7 Ų115.741%0.41368%0.679SS.*SBendtrans-78.3139.617400000109.9D182D182-A185 HydrophobicContact CB-CB 4.26Å; D182-A185 PolarHBondContact O-N 2.98Å
186P58.7Low56.6Low111 Ų111114.6 Ų114.672%0.72168%0.684SS**  trans-56.7142.3171.525-31.8000108.6Q188P186-Q188 PolarHBondContact O-N 3.39Å
187P56.3Low55Low96 Ų96117.7 Ų117.762%0.62370%0.698SS**  trans-55.7106.3-173.422.9-33.1000109.1L189P187-L189 PolarHBondContact O-N 2.96Å
188Q50.5Low53.4Low159 Ų159112.7 Ų112.774%0.74369%0.689SS**  trans-68.199.8159.3-92.3-159.9-86.400105P186 E190P186-Q188 PolarHBondContact O-N 3.39Å; Q188-E190 PolarHBondContact O-N 2.9Å
189L51.5Low51.2Low143 Ų143112 Ų11275%0.74970%0.698SS**  trans-63.170.1168.6-69.2162000108.5P187 A191P187-L189 PolarHBondContact O-N 2.96Å; L189-A191 PolarHBondContact O-N 2.69Å
190E42Very low49.8Very low113 Ų113110.6 Ų110.653%0.52869%0.691SS.*  trans-72.679.8146.6-70.9-163.1167.300105K178 Q188 T192K178-E190 WeakPolarHBondContact CE-OE2 2.95Å; K178-E190 IonicContact NZ-OE2 3.02Å; K178-E190 PolarHBondContact NZ-OE2 3.27Å; Q188-E190 PolarHBondContact O-N 2.9Å; E190-T192 PolarHBondContact O-N 2.71Å
191A40.5Very low48.4Very low64 Ų64112.7 Ų112.753%0.52968%0.683SS.*  trans-53.5104.8156.200000104.7L189 T193L189-A191 PolarHBondContact O-N 2.69Å; A191-T193 HydrophobicContact CB-CG2 3.77Å; A191-T193 PolarHBondContact O-N 2.8Å; A191-T193 PolarHBondContact O-OG1 3.2Å
192T37.4Very low47.8Very low121 Ų121112.7 Ų112.774%0.74269%0.685SS**  trans-61.567.5147.4420000106.1E190 A194E190-T192 PolarHBondContact O-N 2.71Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.17Å; T192-A194 VanDerWaalsContact O-N 3.08Å
193T39.9Very low47.7Very low95 Ų95109.8 Ų109.858%0.58368%0.675SS**  trans-51.5111.6150.445.80000102.7A191 S195A191-T193 HydrophobicContact CB-CG2 3.77Å; A191-T193 PolarHBondContact O-N 2.8Å; A191-T193 PolarHBondContact O-OG1 3.2Å; T193-S195 PolarHBondContact O-N 2.84Å
194A40.1Very low48.2Very low91 Ų91106.4 Ų106.475%0.75266%0.655SS**  trans-56.575.9135.800000105.8T192 G196T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.17Å; T192-A194 VanDerWaalsContact O-N 3.08Å; A194-G196 PolarHBondContact O-N 3.05Å
195S37Very low49Very low106 Ų106102.8 Ų102.874%0.74163%0.632SS**  trans-77.262.9171.8-157.70000105.8T193T193-S195 PolarHBondContact O-N 2.84Å
196G34.3Very low50.1Low63 Ų63101.3 Ų101.365%0.64962%0.617SS**  trans-9988.5164.600000106.5A194A194-G196 PolarHBondContact O-N 3.05Å
197S34.6Very low51.4Low113 Ų11396.6 Ų96.679%0.7959%0.586SS**  trans51.694.4154167.30000116.9
198S39.1Very low53Low73 Ų7392.4 Ų92.451%0.5156%0.558SS.*  trans-152.175.4150.961.30000111.1N200 N201S198-N200 PolarHBondContact O-N 2.72Å; S198-N201 WeakPolarHBondContact CB-ND2 3.19Å; S198-N201 PolarHBondContact OG-ND2 2.91Å
199T34.9Very low54.9Low129 Ų12984.9 Ų84.979%0.79152%0.523SS*.THydrogen-bonded Turntrans-59121.3156.649.30000107.9
200N43.6Very low56.7Low159 Ų15980.2 Ų80.285%0.8550%0.497SS*.THydrogen-bonded Turntrans80.836.9177-56.9-24.8000119.3S198 V202S198-N200 PolarHBondContact O-N 2.72Å; N200-V202 VanDerWaalsContact C-N 3.32Å; N200-V202 PolarHBondContact O-N 2.87Å
201N46.8Very low59Low127 Ų12774.8 Ų74.868%0.67947%0.472SS*.  trans-73.482.6171-96.4-20.2000111.8S198 S203S198-N201 WeakPolarHBondContact CB-ND2 3.19Å; S198-N201 PolarHBondContact OG-ND2 2.91Å; N201-S203 PolarHBondContact O-N 2.81Å
202V56Low61.4Low84 Ų8472.8 Ų72.851%0.50945%0.45SS..  trans-60.9116146.4178.80000104.3N200 E204 M255N200-V202 VanDerWaalsContact C-N 3.32Å; N200-V202 PolarHBondContact O-N 2.87Å; V202-E204 PolarHBondContact O-N 3.36Å; V202-M255 HydrophobicContact CG1-CB 3.86Å
203S66.6Low63.7Low69 Ų6971.1 Ų71.148%0.48343%0.43SS..  trans-57.3114.3174.835.40000107.6N201 S254 M255N201-S203 PolarHBondContact O-N 2.81Å; S203-S254 WeakPolarHBondContact CB-OG 3.12Å; S203-S254 CarbonylContact O-C 3.59Å; S203-S254 VanDerWaalsContact O-CA 3.26Å; S203-S254 WeakPolarHBondContact O-CA 3.45Å; S203-S254 WeakPolarHBondContact O-CB 3.26Å; S203-S254 WeakPolarHBondContact OG-CB 3.34Å; S203-S254 PolarHBondContact OG-OG 3.25Å; S203-M255 PolarHBondContact O-N 3.1Å
204E75.6Confident65.8Low109 Ų10970.9 Ų70.951%0.50943%0.426SS..EExtended strand (participates in β ladder)trans-95.3126.7175.2-73.8173-163.200108.1V202 M255V202-E204 PolarHBondContact O-N 3.36Å; E204-M255 CarbonylContact C-O 3.39Å; E204-M255 WeakPolarHBondContact CA-O 3.26Å; E204-M255 HydrophobicContact CG-CB 4.11Å; E204-M255 HydrophobicContact CG-CG 4.41Å; E204-M255 HydrophobicContact CG-SD 4.27Å
205K81.6Confident68Low84 Ų8466.6 Ų66.637%0.36539%0.39SS..EExtended strand (participates in β ladder)trans-110.7105.6176.8-169.6174.3-177.2175.30108.7V207 S250 A251 M255 V256 N257K205-V207 HydrophobicContact CG-CG2 4.18Å; K205-S250 PolarHBondContact NZ-O 2.98Å; K205-A251 HydrophobicContact CD-CB 4.4Å; K205-M255 PolarHBondContact N-O 3.36Å; K205-V256 WeakPolarHBondContact O-CA 3.32Å; K205-N257 PolarHBondContact O-N 3.18Å
206N85.1Confident70.6Confident19 Ų1961.5 Ų61.510%0.10236%0.355CS..EExtended strand (participates in β ladder)trans-83.4125172.9-57.2-30.5000108.9Y162 N257Y162-N206 PolarHBondContact O-ND2 2.85Å; N206-N257 CarbonylContact C-O 3.5Å; N206-N257 WeakPolarHBondContact CA-O 3.49Å; N206-N257 WeakPolarHBondContact OD1-CB 3.22Å; N206-N257 PolarHBondContact OD1-ND2 3.35Å
207V86.7Confident73.2Confident12 Ų1258.6 Ų58.67%0.07332%0.324CS..EExtended strand (participates in β ladder)trans-120.9121.5178.5-1780000108.5K205 L247 V256 N257 V258 M259K205-V207 HydrophobicContact CG-CG2 4.18Å; V207-L247 HydrophobicContact CB-CD1 4.05Å; V207-L247 HydrophobicContact CB-CD2 4.43Å; V207-L247 HydrophobicContact CG1-CD1 4Å; V207-L247 HydrophobicContact CG1-CD2 3.89Å; V207-L247 HydrophobicContact CG2-CD1 4.25Å; V207-L247 HydrophobicContact CG2-CD2 4.15Å; V207-V256 HydrophobicContact CG2-CG1 4.28Å; V207-N257 PolarHBondContact N-O 3.08Å; V207-V258 WeakPolarHBondContact O-CA 3.25Å; V207-M259 PolarHBondContact O-N 2.74Å
208V88.9Confident75.8Confident8 Ų854.4 Ų54.45%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-94.8119.3178.8-174.10000109.1K210 D219 M259 E261V208-K210 HydrophobicContact CG1-CG 4.29Å; V208-D219 PolarHBondContact O-N 3.03Å; V208-M259 CarbonylContact C-O 3.49Å; V208-M259 HydrophobicContact CG2-CB 4.43Å; V208-M259 HydrophobicContact CG2-SD 4.12Å; V208-E261 HydrophobicContact CG1-CG 3.68Å; V208-E261 WeakPolarHBondContact CG1-OE2 3.48Å
209V90Very high77.9Confident0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans-99.9112.6176.5-175.80000107.7M211 F216 L218 F234 I238 V258 M259 L260 E261V209-M211 HydrophobicContact CG1-SD 3.97Å; V209-F216 HydrophobicContact CG1-CB 4.44Å; V209-F216 HydrophobicContact CG1-CD2 4.06Å; V209-L218 HydrophobicContact CB-CD2 4.33Å; V209-L218 HydrophobicContact CG1-CD2 4.16Å; V209-L218 HydrophobicContact CG2-CD2 3.74Å; V209-F234 HydrophobicContact CG1-CE1 3.86Å; V209-F234 HydrophobicContact CG1-CZ 4.4Å; V209-F234 HydrophobicContact CG2-CE1 3.96Å; V209-F234 HydrophobicContact CG2-CZ 3.7Å; V209-I238 HydrophobicContact CG1-CD1 4.42Å; V209-I238 HydrophobicContact CG2-CD1 4.32Å; V209-V258 HydrophobicContact CG2-CG1 3.56Å; V209-M259 PolarHBondContact N-O 2.73Å; V209-L260 HydrophobicContact CB-CD1 3.73Å; V209-L260 HydrophobicContact CG1-CD1 3.67Å; V209-L260 CarbonylContact O-C 3.43Å; V209-L260 WeakPolarHBondContact O-CA 3.21Å; V209-E261 PolarHBondContact O-N 3.03Å
210K90.5Very high79.7Confident45 Ų4552.6 Ų52.620%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-98.4123.7177.8-63.7178.5-179.5171.80109.9V208 W212 F216 S217 E261V208-K210 HydrophobicContact CG1-CG 4.29Å; K210-W212 HydrophobicContact CB-CZ2 3.76Å; K210-W212 HydrophobicContact CD-CH2 4.26Å; K210-W212 HydrophobicContact CD-CZ2 3.6Å; K210-W212 HydrophobicContact CG-CZ2 4.33Å; K210-W212 PolarHBondContact O-NE1 3.33Å; K210-F216 CarbonylContact O-C 2.94Å; K210-F216 WeakPolarHBondContact O-CA 3.39Å; K210-F216 VanDerWaalsContact O-CB 3.31Å; K210-F216 WeakPolarHBondContact O-CB 3.12Å; K210-S217 PolarHBondContact N-O 3.41Å; K210-S217 PolarHBondContact O-N 2.81Å; K210-E261 WeakPolarHBondContact CE-OE2 3.09Å; K210-E261 HydrophobicContact CG-CB 4.13Å; K210-E261 WeakPolarHBondContact CG-OE2 3.3Å
211M90.4Very high81.4Confident0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-96.9108.4-177.8-58.9-61.2-62.500110.1I139 L142 F143 V209 F216 Y226 L235 L260 E261 H263 H264I139-M211 HydrophobicContact CD1-CB 4.24Å; I139-M211 HydrophobicContact CG1-CB 4.28Å; I139-M211 HydrophobicContact CG1-CE 4.11Å; I139-M211 HydrophobicContact CG2-CB 3.99Å; I139-M211 HydrophobicContact CG2-CG 4.47Å; L142-M211 HydrophobicContact CD2-CE 3.33Å; L142-M211 HydrophobicContact CD2-CG 4.36Å; L142-M211 HydrophobicContact CD2-SD 3.86Å; F143-M211 HydrophobicContact CE2-CB 4.49Å; F143-M211 HydrophobicContact CE2-CG 4.13Å; F143-M211 HydrophobicContact CZ-CG 4.48Å; V209-M211 HydrophobicContact CG1-SD 3.97Å; M211-F216 HydrophobicContact CE-CB 4.32Å; M211-F216 HydrophobicContact SD-CB 3.64Å; M211-F216 HydrophobicContact SD-CG 4.38Å; M211-Y226 HydrophobicContact CE-CE1 3.6Å; M211-Y226 WeakPolarHBondContact CE-OH 3.35Å; M211-L235 HydrophobicContact CE-CD2 3.8Å; M211-L235 HydrophobicContact SD-CD2 4.19Å; M211-L260 HydrophobicContact CG-CD1 3.56Å; M211-L260 HydrophobicContact CG-CG 4.09Å; M211-L260 HydrophobicContact SD-CD1 3.73Å; M211-E261 WeakPolarHBondContact CB-O 3.47Å; M211-E261 PolarHBondContact N-O 3.48Å; M211-H263 CarbonylContact O-C 3.26Å; M211-H263 WeakPolarHBondContact O-CA 3.46Å; M211-H263 VanDerWaalsContact O-CB 3.25Å; M211-H263 WeakPolarHBondContact O-CB 3.33Å; M211-H263 PolarHBondContact O-N 3.12Å; M211-H264 PolarHBondContact O-N 2.87Å; M211-H264 VanDerWaalsContact O-N 3.16Å
212W90.4Very high83.2Confident22 Ų2244.6 Ų44.68%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-99170.7-179.5-48.695.9000111.3K210 D214 G215 S217 L223 Y226 H263 E266 W268K210-W212 HydrophobicContact CB-CZ2 3.76Å; K210-W212 HydrophobicContact CD-CH2 4.26Å; K210-W212 HydrophobicContact CD-CZ2 3.6Å; K210-W212 HydrophobicContact CG-CZ2 4.33Å; K210-W212 PolarHBondContact O-NE1 3.33Å; W212-D214 VanDerWaalsContact C-N 3.29Å; W212-D214 PolarHBondContact O-N 2.81Å; W212-G215 CarbonylContact C-O 3.56Å; W212-G215 VanDerWaalsContact CA-O 3.25Å; W212-G215 WeakPolarHBondContact CA-O 3.38Å; W212-G215 WeakPolarHBondContact CB-O 3.28Å; W212-G215 PolarHBondContact N-O 3.02Å; W212-G215 VanDerWaalsContact O-O 3.06Å; W212-S217 PolarHBondContact NE1-OG 2.83Å; W212-L223 HydrophobicContact CB-CD1 4.25Å; W212-L223 HydrophobicContact CG-CD1 4.02Å; W212-Y226 WeakPolarHBondContact O-CE2 3.04Å; W212-Y226 PolarHBondContact O-OH 3.35Å; W212-H263 HydrophobicContact CD2-CB 3.99Å; W212-H263 HydrophobicContact CE3-CB 3.5Å; W212-H263 HydrophobicContact CH2-CB 4.3Å; W212-H263 AromaticContact CH2-ND1 3.97Å; W212-H263 HydrophobicContact CZ3-CB 3.67Å; W212-H263 AromaticContact CZ3-CG 3.81Å; W212-H263 AromaticContact CZ3-ND1 3.79Å; W212-E266 HydrophobicContact CE3-CB 3.92Å; W212-E266 HydrophobicContact CZ3-CB 3.84Å; W212-E266 WeakPolarHBondContact CZ3-OE2 3.44Å; W212-W268 HydrophobicContact CB-CB 4.37Å; W212-W268 AromaticContact CD1-CD1 3.91Å; W212-W268 HydrophobicContact CD2-CB 3.97Å; W212-W268 HydrophobicContact CD2-CG 4.49Å; W212-W268 AromaticContact CE2-CD1 3.55Å; W212-W268 HydrophobicContact CE3-CB 4.41Å; W212-W268 HydrophobicContact CG-CB 3.91Å; W212-W268 AromaticContact CZ2-CD1 3.87Å; W212-W268 AromaticContact NE1-CD1 3.43Å
213R84.9Confident84.6Confident85 Ų8543 Ų4332%0.32124%0.235SC..SBendtrans-59.7-39.217376.4179.369.6161.92.6113.4P135 H264 H265 E266 E267P135-R213 WeakPolarHBondContact CB-O 3.42Å; R213-H264 WeakPolarHBondContact CB-O 3.49Å; R213-H265 PolarHBondContact NH2-O 2.88Å; R213-E266 PolarHBondContact NE-O 3.03Å; R213-E267 IonicContact CZ-OE1 2.79Å; R213-E267 IonicContact NH1-OE1 2.8Å; R213-E267 PolarHBondContact NH1-OE1 3.24Å
214D83.9Confident85.6Confident91 Ų9142.4 Ų42.449%0.48722%0.222SC..SBendtrans-94.1-7.5-170.9-63.6-43000112.9W212 L223W212-D214 VanDerWaalsContact C-N 3.29Å; W212-D214 PolarHBondContact O-N 2.81Å; D214-L223 HydrophobicContact CB-CD2 4.02Å
215G88Confident86.1Confident0 Ų038.9 Ų38.90%021%0.209CC..EExtended strand (participates in β ladder)trans159.3-163.1-17100000113W212 R224 Y226W212-G215 CarbonylContact C-O 3.56Å; W212-G215 VanDerWaalsContact CA-O 3.25Å; W212-G215 WeakPolarHBondContact CA-O 3.38Å; W212-G215 WeakPolarHBondContact CB-O 3.28Å; W212-G215 PolarHBondContact N-O 3.02Å; W212-G215 VanDerWaalsContact O-O 3.06Å; G215-R224 CarbonylContact C-O 3.59Å; G215-R224 WeakPolarHBondContact CA-O 3.44Å; G215-Y226 VanDerWaalsContact N-CE2 3.34Å; G215-Y226 PolarHBondContact O-OH 3.28Å
216F89.8Confident86.3Confident0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-129.8152.4175.868.3-90.2000111.7V209 K210 M211 L218 R224 Y226 A231 F234 L235V209-F216 HydrophobicContact CG1-CB 4.44Å; V209-F216 HydrophobicContact CG1-CD2 4.06Å; K210-F216 CarbonylContact O-C 2.94Å; K210-F216 WeakPolarHBondContact O-CA 3.39Å; K210-F216 VanDerWaalsContact O-CB 3.31Å; K210-F216 WeakPolarHBondContact O-CB 3.12Å; M211-F216 HydrophobicContact CE-CB 4.32Å; M211-F216 HydrophobicContact SD-CB 3.64Å; M211-F216 HydrophobicContact SD-CG 4.38Å; F216-L218 HydrophobicContact CD2-CD2 4.14Å; F216-L218 HydrophobicContact CE2-CD2 4.09Å; F216-L218 HydrophobicContact CE2-CG 4.47Å; F216-R224 HydrophobicContact CD1-CB 4.43Å; F216-R224 HydrophobicContact CE1-CB 4.18Å; F216-R224 HydrophobicContact CE2-CB 4.25Å; F216-R224 HydrophobicContact CZ-CB 4.07Å; F216-R224 PolarHBondContact N-O 3Å; F216-R224 PolarHBondContact O-N 3.33Å; F216-Y226 HydrophobicContact CB-CE1 4.42Å; F216-Y226 HydrophobicContact CD1-CD1 4.18Å; F216-Y226 AromaticContact CD1-CE1 3.99Å; F216-Y226 HydrophobicContact CD1-CE1 3.99Å; F216-A231 HydrophobicContact CE1-CB 3.65Å; F216-A231 HydrophobicContact CZ-CB 3.89Å; F216-F234 HydrophobicContact CD2-CD1 4.22Å; F216-F234 HydrophobicContact CD2-CE1 4.09Å; F216-F234 HydrophobicContact CE1-CD1 4.33Å; F216-F234 AromaticContact CE2-CD1 3.38Å; F216-F234 HydrophobicContact CE2-CD1 3.38Å; F216-F234 AromaticContact CE2-CE1 3.57Å; F216-F234 HydrophobicContact CE2-CE1 3.57Å; F216-F234 AromaticContact CE2-CG 3.98Å; F216-F234 HydrophobicContact CE2-CG 3.98Å; F216-F234 HydrophobicContact CE2-CZ 4.33Å; F216-F234 HydrophobicContact CZ-CB 4.02Å; F216-F234 AromaticContact CZ-CD1 3.44Å; F216-F234 HydrophobicContact CZ-CD1 3.44Å; F216-F234 VanDerWaalsContact CZ-CD1 3.44Å; F216-F234 HydrophobicContact CZ-CE1 4.12Å; F216-F234 AromaticContact CZ-CG 3.87Å; F216-F234 HydrophobicContact CZ-CG 3.87Å; F216-L235 HydrophobicContact CD1-CD1 4.1Å; F216-L235 HydrophobicContact CD1-CD2 4.02Å; F216-L235 HydrophobicContact CD1-CG 4.21Å; F216-L235 HydrophobicContact CE1-CD1 3.84Å; F216-L235 HydrophobicContact CE1-CD2 4.03Å; F216-L235 HydrophobicContact CE1-CG 3.8Å; F216-L235 HydrophobicContact CZ-CG 4.47Å
217S89.8Confident86.2Confident2 Ų239.7 Ų39.71%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-122.8145.7174.768.30000111K210 W212K210-S217 PolarHBondContact N-O 3.41Å; K210-S217 PolarHBondContact O-N 2.81Å; W212-S217 PolarHBondContact NE1-OG 2.83Å
218L88.3Confident86.1Confident24 Ų2442.7 Ų42.713%0.12624%0.236CC..EExtended strand (participates in β ladder)trans-97.7115.3174.4-53.7179.1000109.3V209 F216 S220 G221 F234 L247V209-L218 HydrophobicContact CB-CD2 4.33Å; V209-L218 HydrophobicContact CG1-CD2 4.16Å; V209-L218 HydrophobicContact CG2-CD2 3.74Å; F216-L218 HydrophobicContact CD2-CD2 4.14Å; F216-L218 HydrophobicContact CE2-CD2 4.09Å; F216-L218 HydrophobicContact CE2-CG 4.47Å; L218-S220 PolarHBondContact O-N 3.05Å; L218-S220 VanDerWaalsContact O-N 3.08Å; L218-G221 WeakPolarHBondContact O-CA 3.36Å; L218-G221 PolarHBondContact O-N 2.8Å; L218-F234 HydrophobicContact CD1-CE2 4.11Å; L218-F234 HydrophobicContact CD1-CZ 4.39Å; L218-F234 HydrophobicContact CD2-CE1 3.84Å; L218-F234 HydrophobicContact CD2-CE2 3.86Å; L218-F234 HydrophobicContact CD2-CZ 3.29Å; L218-F234 HydrophobicContact CG-CZ 4.46Å; L218-L247 HydrophobicContact CD1-CD2 4.3Å
219D83.9Confident85.9Confident81 Ų8146.9 Ų46.943%0.43326%0.264SS..THydrogen-bonded Turntrans50.2-107.1-176.7-177.821.3000112.7V208V208-D219 PolarHBondContact O-N 3.03Å
220S73.8Confident85.7Confident83 Ų8352.4 Ų52.458%0.5829%0.293SS*.THydrogen-bonded Turntrans-109.824.6177.3-560000112.1L218L218-S220 PolarHBondContact O-N 3.05Å; L218-S220 VanDerWaalsContact O-N 3.08Å
221G78.1Confident85.5Confident21 Ų2150.3 Ų50.322%0.21629%0.285CS..SBendtrans-86.2177.2-177.100000114.9L218L218-G221 WeakPolarHBondContact O-CA 3.36Å; L218-G221 PolarHBondContact O-N 2.8Å
222P84Confident85.2Confident97 Ų9752.6 Ų52.663%0.6330%0.301SS*.  trans-64.8150176.428-34.1000111.7
223L86.5Confident85.1Confident50 Ų5056.6 Ų56.626%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-66133.4170.6-174.970000110.4W212 D214 W268W212-L223 HydrophobicContact CB-CD1 4.25Å; W212-L223 HydrophobicContact CG-CD1 4.02Å; D214-L223 HydrophobicContact CB-CD2 4.02Å; L223-W268 HydrophobicContact CB-CB 4.45Å; L223-W268 HydrophobicContact CB-CD2 3.55Å; L223-W268 HydrophobicContact CB-CE3 3.74Å; L223-W268 HydrophobicContact CB-CG 3.88Å; L223-W268 HydrophobicContact CB-CH2 4.34Å; L223-W268 HydrophobicContact CB-CZ2 4.18Å; L223-W268 HydrophobicContact CB-CZ3 4.14Å; L223-W268 HydrophobicContact CD1-CB 3.76Å; L223-W268 HydrophobicContact CD1-CD2 4.41Å; L223-W268 HydrophobicContact CD1-CG 3.81Å; L223-W268 HydrophobicContact CD2-CB 3.9Å; L223-W268 HydrophobicContact CD2-CD2 4.32Å; L223-W268 HydrophobicContact CD2-CE3 4.23Å; L223-W268 HydrophobicContact CD2-CG 4.22Å; L223-W268 HydrophobicContact CG-CB 4.25Å; L223-W268 HydrophobicContact CG-CD2 4.31Å; L223-W268 HydrophobicContact CG-CG 4.18Å
224R87.2Confident85.4Confident58 Ų5852.8 Ų52.822%0.21931%0.306CS..EExtended strand (participates in β ladder)trans-108.2128.7171.9-61.8-178.8-179.9-148.62.1108.9G215 F216 A231 E246G215-R224 CarbonylContact C-O 3.59Å; G215-R224 WeakPolarHBondContact CA-O 3.44Å; F216-R224 HydrophobicContact CD1-CB 4.43Å; F216-R224 HydrophobicContact CE1-CB 4.18Å; F216-R224 HydrophobicContact CE2-CB 4.25Å; F216-R224 HydrophobicContact CZ-CB 4.07Å; F216-R224 PolarHBondContact N-O 3Å; F216-R224 PolarHBondContact O-N 3.33Å; R224-A231 HydrophobicContact CB-CB 4.32Å; R224-E246 IonicContact CZ-OE1 3.28Å; R224-E246 IonicContact CZ-OE2 3.89Å; R224-E246 IonicContact NH1-OE1 2.73Å; R224-E246 IonicContact NH1-OE2 3.66Å; R224-E246 PolarHBondContact NH1-OE2 2.62Å; R224-E246 IonicContact NH2-OE1 2.77Å; R224-E246 PolarHBondContact NH2-OE1 3.43Å; R224-E246 IonicContact NH2-OE2 3.73Å; R224-E246 PolarHBondContact NH2-OE2 2.97Å
225S86.7Confident85.6Confident35 Ų3548.6 Ų48.625%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-71155.3178.576.90000110.5T227 D228 A231S225-T227 PolarHBondContact O-N 3.45Å; S225-T227 PolarHBondContact OG-OG1 3.31Å; S225-D228 PolarHBondContact N-OD2 3.21Å; S225-D228 PolarHBondContact OG-N 3.44Å; S225-D228 PolarHBondContact OG-OD2 2.92Å; S225-A231 WeakPolarHBondContact O-CB 3.22Å
226Y85Confident85.6Confident14 Ų1452.5 Ų52.56%0.05530%0.304CS..THydrogen-bonded Turntrans-70.8-13.9174.4-63.5-54.7000113.9P131 P135 F138 I139 M211 W212 G215 F216 L235P131-Y226 HydrophobicContact CB-CD2 4.22Å; P131-Y226 HydrophobicContact CB-CG 3.89Å; P135-Y226 HydrophobicContact CB-CE2 4.44Å; F138-Y226 HydrophobicContact CE1-CD1 4.2Å; F138-Y226 HydrophobicContact CE1-CE1 4.23Å; I139-Y226 WeakPolarHBondContact CD1-OH 3.45Å; M211-Y226 HydrophobicContact CE-CE1 3.6Å; M211-Y226 WeakPolarHBondContact CE-OH 3.35Å; W212-Y226 WeakPolarHBondContact O-CE2 3.04Å; W212-Y226 PolarHBondContact O-OH 3.35Å; G215-Y226 VanDerWaalsContact N-CE2 3.34Å; G215-Y226 PolarHBondContact O-OH 3.28Å; F216-Y226 HydrophobicContact CB-CE1 4.42Å; F216-Y226 HydrophobicContact CD1-CD1 4.18Å; F216-Y226 AromaticContact CD1-CE1 3.99Å; F216-Y226 HydrophobicContact CD1-CE1 3.99Å; Y226-L235 HydrophobicContact CD1-CD1 3.65Å; Y226-L235 HydrophobicContact CE1-CD1 4.15Å
227T82.8Confident85.5Confident105 Ų10553.1 Ų53.164%0.64431%0.31SS*.THydrogen-bonded Turntrans-89-13.5-176.446.90000113.7S225S225-T227 PolarHBondContact O-N 3.45Å; S225-T227 PolarHBondContact OG-OG1 3.31Å
228D85.7Confident85.5Confident76 Ų7653.7 Ų53.741%0.40631%0.312SS..SBendtrans-72.7139179.7-68.3-49.8000111.2S225 D230 A231 S232S225-D228 PolarHBondContact N-OD2 3.21Å; S225-D228 PolarHBondContact OG-N 3.44Å; S225-D228 PolarHBondContact OG-OD2 2.92Å; D228-D230 PolarHBondContact O-N 3.18Å; D228-A231 HydrophobicContact CB-CB 3.79Å; D228-A231 WeakPolarHBondContact O-CB 3.48Å; D228-A231 PolarHBondContact O-N 3.33Å; D228-S232 PolarHBondContact O-N 2.87Å
229P85.3Confident85.4Confident95 Ų9555 Ų5562%0.61732%0.318SS*.Hα-helixtrans-62-43.8-178.123.5-32.9000112.4A231 S232 E233P229-A231 PolarHBondContact O-N 3Å; P229-S232 WeakPolarHBondContact O-CB 3.45Å; P229-S232 PolarHBondContact O-N 3.44Å; P229-S232 VanDerWaalsContact O-N 3.17Å; P229-S232 PolarHBondContact O-OG 3.49Å; P229-E233 PolarHBondContact O-N 3.42Å
230D84.9Confident85.5Confident116 Ų11655.7 Ų55.762%0.6232%0.321SS*.Hα-helixtrans-63.8-34.2177.6-60.6-14.6000111.6D228 F234D228-D230 PolarHBondContact O-N 3.18Å; D230-F234 WeakPolarHBondContact O-CB 3.32Å; D230-F234 PolarHBondContact O-N 3.17Å; D230-F234 VanDerWaalsContact O-N 3.11Å
231A86.4Confident86.1Confident2 Ų254.2 Ų54.22%0.01732%0.319CS..Hα-helixtrans-70.9-38.5176.900000111.2F216 R224 S225 D228 P229 F234 L235F216-A231 HydrophobicContact CE1-CB 3.65Å; F216-A231 HydrophobicContact CZ-CB 3.89Å; R224-A231 HydrophobicContact CB-CB 4.32Å; S225-A231 WeakPolarHBondContact O-CB 3.22Å; D228-A231 HydrophobicContact CB-CB 3.79Å; D228-A231 WeakPolarHBondContact O-CB 3.48Å; D228-A231 PolarHBondContact O-N 3.33Å; P229-A231 PolarHBondContact O-N 3Å; A231-F234 WeakPolarHBondContact O-CB 3.37Å; A231-F234 PolarHBondContact O-N 3.39Å; A231-L235 VanDerWaalsContact O-CG 3.28Å; A231-L235 WeakPolarHBondContact O-CG 3.39Å; A231-L235 PolarHBondContact O-N 3.22Å
232S84.6Confident86.6Confident48 Ų4859.2 Ų59.234%0.33634%0.337SS..Hα-helixtrans-64.9-39.2174.781.10000112.4D228 P229 L235 N236D228-S232 PolarHBondContact O-N 2.87Å; P229-S232 WeakPolarHBondContact O-CB 3.45Å; P229-S232 PolarHBondContact O-N 3.44Å; P229-S232 VanDerWaalsContact O-N 3.17Å; P229-S232 PolarHBondContact O-OG 3.49Å; S232-L235 PolarHBondContact O-N 3.21Å; S232-N236 WeakPolarHBondContact O-CB 3.15Å; S232-N236 PolarHBondContact O-N 3.15Å; S232-N236 PolarHBondContact O-ND2 3.42Å
233E88.5Confident86.7Confident106 Ų10658.2 Ų58.250%0.49533%0.325SS..Hα-helixtrans-64.1-44.4175.7-173.2179.716700110.9P229 L235 N236 A237P229-E233 PolarHBondContact O-N 3.42Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L235 PolarHBondContact O-N 3.06Å; E233-N236 PolarHBondContact O-N 3.19Å; E233-A237 PolarHBondContact O-N 3.2Å
234F90.1Very high86.6Confident4 Ų456 Ų562%0.01831%0.314CS..Hα-helixtrans-56.8-46174.5-175.4-85.9000112.1V209 F216 L218 D230 A231 A237 I238 P244 L247V209-F234 HydrophobicContact CG1-CE1 3.86Å; V209-F234 HydrophobicContact CG1-CZ 4.4Å; V209-F234 HydrophobicContact CG2-CE1 3.96Å; V209-F234 HydrophobicContact CG2-CZ 3.7Å; F216-F234 HydrophobicContact CD2-CD1 4.22Å; F216-F234 HydrophobicContact CD2-CE1 4.09Å; F216-F234 HydrophobicContact CE1-CD1 4.33Å; F216-F234 AromaticContact CE2-CD1 3.38Å; F216-F234 HydrophobicContact CE2-CD1 3.38Å; F216-F234 AromaticContact CE2-CE1 3.57Å; F216-F234 HydrophobicContact CE2-CE1 3.57Å; F216-F234 AromaticContact CE2-CG 3.98Å; F216-F234 HydrophobicContact CE2-CG 3.98Å; F216-F234 HydrophobicContact CE2-CZ 4.33Å; F216-F234 HydrophobicContact CZ-CB 4.02Å; F216-F234 AromaticContact CZ-CD1 3.44Å; F216-F234 HydrophobicContact CZ-CD1 3.44Å; F216-F234 VanDerWaalsContact CZ-CD1 3.44Å; F216-F234 HydrophobicContact CZ-CE1 4.12Å; F216-F234 AromaticContact CZ-CG 3.87Å; F216-F234 HydrophobicContact CZ-CG 3.87Å; L218-F234 HydrophobicContact CD1-CE2 4.11Å; L218-F234 HydrophobicContact CD1-CZ 4.39Å; L218-F234 HydrophobicContact CD2-CE1 3.84Å; L218-F234 HydrophobicContact CD2-CE2 3.86Å; L218-F234 HydrophobicContact CD2-CZ 3.29Å; L218-F234 HydrophobicContact CG-CZ 4.46Å; D230-F234 WeakPolarHBondContact O-CB 3.32Å; D230-F234 PolarHBondContact O-N 3.17Å; D230-F234 VanDerWaalsContact O-N 3.11Å; A231-F234 WeakPolarHBondContact O-CB 3.37Å; A231-F234 PolarHBondContact O-N 3.39Å; F234-A237 PolarHBondContact O-N 3.01Å; F234-I238 HydrophobicContact CD1-CD1 3.71Å; F234-I238 HydrophobicContact CE1-CD1 3.18Å; F234-I238 HydrophobicContact CE1-CG1 4.32Å; F234-I238 HydrophobicContact CZ-CD1 3.81Å; F234-I238 WeakPolarHBondContact O-CG1 3.5Å; F234-I238 PolarHBondContact O-N 2.97Å; F234-P244 HydrophobicContact CD1-CG 4.39Å; F234-P244 HydrophobicContact CD2-CB 3.29Å; F234-P244 HydrophobicContact CD2-CG 3.55Å; F234-P244 HydrophobicContact CE1-CG 4.35Å; F234-P244 HydrophobicContact CE2-CB 3.53Å; F234-P244 HydrophobicContact CE2-CG 3.48Å; F234-P244 VanDerWaalsContact CE2-CG 3.48Å; F234-P244 HydrophobicContact CG-CB 4.02Å; F234-P244 HydrophobicContact CG-CG 3.99Å; F234-P244 HydrophobicContact CZ-CB 4.42Å; F234-P244 HydrophobicContact CZ-CG 3.88Å; F234-L247 HydrophobicContact CE2-CD1 4.05Å; F234-L247 HydrophobicContact CE2-CD2 4.31Å; F234-L247 HydrophobicContact CE2-CG 3.99Å; F234-L247 HydrophobicContact CZ-CD1 4.3Å
235L87.7Confident86.5Confident4 Ų458.2 Ų58.22%0.02133%0.327CS..Hα-helixtrans-70.5-40.1179.8-67168.5000112.6F138 L142 M211 F216 Y226 A231 S232 E233 A237 I238 Q239F138-L235 HydrophobicContact CE1-CD1 4.03Å; F138-L235 HydrophobicContact CZ-CD1 3.96Å; L142-L235 HydrophobicContact CD2-CD2 4Å; M211-L235 HydrophobicContact CE-CD2 3.8Å; M211-L235 HydrophobicContact SD-CD2 4.19Å; F216-L235 HydrophobicContact CD1-CD1 4.1Å; F216-L235 HydrophobicContact CD1-CD2 4.02Å; F216-L235 HydrophobicContact CD1-CG 4.21Å; F216-L235 HydrophobicContact CE1-CD1 3.84Å; F216-L235 HydrophobicContact CE1-CD2 4.03Å; F216-L235 HydrophobicContact CE1-CG 3.8Å; F216-L235 HydrophobicContact CZ-CG 4.47Å; Y226-L235 HydrophobicContact CD1-CD1 3.65Å; Y226-L235 HydrophobicContact CE1-CD1 4.15Å; A231-L235 VanDerWaalsContact O-CG 3.28Å; A231-L235 WeakPolarHBondContact O-CG 3.39Å; A231-L235 PolarHBondContact O-N 3.22Å; S232-L235 PolarHBondContact O-N 3.21Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L235 PolarHBondContact O-N 3.06Å; L235-A237 VanDerWaalsContact C-N 3.29Å; L235-A237 PolarHBondContact O-N 3.19Å; L235-I238 PolarHBondContact O-N 3.47Å; L235-I238 VanDerWaalsContact O-N 3.15Å; L235-Q239 WeakPolarHBondContact O-CG 3.44Å; L235-Q239 PolarHBondContact O-N 2.98Å
236N88.7Confident86.6Confident82 Ų8259.8 Ų59.844%0.43933%0.33SS..Hα-helixtrans-60.8-40.2176.1-75.6-27.3000111.5S232 E233 Q239 N240S232-N236 WeakPolarHBondContact O-CB 3.15Å; S232-N236 PolarHBondContact O-N 3.15Å; S232-N236 PolarHBondContact O-ND2 3.42Å; E233-N236 PolarHBondContact O-N 3.19Å; N236-Q239 PolarHBondContact O-N 3.08Å; N236-N240 WeakPolarHBondContact O-CB 3.36Å; N236-N240 VanDerWaalsContact O-CG 3.29Å; N236-N240 PolarHBondContact O-N 3.36Å; N236-N240 PolarHBondContact O-ND2 2.81Å
237A88.6Confident86.6Confident13 Ų1359.6 Ų59.611%0.10733%0.33CS..Hα-helixtrans-59.3-47.9173.100000110.9E233 F234 L235 Q239 N240 G241 Q242 P244E233-A237 PolarHBondContact O-N 3.2Å; F234-A237 PolarHBondContact O-N 3.01Å; L235-A237 VanDerWaalsContact C-N 3.29Å; L235-A237 PolarHBondContact O-N 3.19Å; A237-Q239 PolarHBondContact O-N 2.86Å; A237-N240 PolarHBondContact O-N 2.88Å; A237-G241 PolarHBondContact O-N 2.72Å; A237-Q242 CarbonylContact C-O 3.58Å; A237-Q242 VanDerWaalsContact C-O 3.25Å; A237-Q242 HydrophobicContact CB-CB 4.36Å; A237-Q242 WeakPolarHBondContact O-CA 3.43Å; A237-Q242 PolarHBondContact O-N 2.87Å; A237-Q242 VanDerWaalsContact O-O 3.06Å; A237-P244 HydrophobicContact CB-CB 4.32Å; A237-P244 HydrophobicContact CB-CG 4.05Å
238I88.3Confident86.7Confident14 Ų1458.7 Ų58.77%0.07232%0.321CS..Hα-helixtrans-62.9-42.9177.6-66.2175000112L142 V209 F234 L235 N240 G241 P244 V258 L260L142-I238 HydrophobicContact CD1-CB 4.25Å; L142-I238 HydrophobicContact CD1-CG2 3.82Å; L142-I238 HydrophobicContact CG-CG2 4.44Å; V209-I238 HydrophobicContact CG1-CD1 4.42Å; V209-I238 HydrophobicContact CG2-CD1 4.32Å; F234-I238 HydrophobicContact CD1-CD1 3.71Å; F234-I238 HydrophobicContact CE1-CD1 3.18Å; F234-I238 HydrophobicContact CE1-CG1 4.32Å; F234-I238 HydrophobicContact CZ-CD1 3.81Å; F234-I238 WeakPolarHBondContact O-CG1 3.5Å; F234-I238 PolarHBondContact O-N 2.97Å; L235-I238 PolarHBondContact O-N 3.47Å; L235-I238 VanDerWaalsContact O-N 3.15Å; I238-N240 PolarHBondContact O-N 2.77Å; I238-G241 PolarHBondContact O-N 2.97Å; I238-P244 HydrophobicContact CD1-CG 4.33Å; I238-P244 HydrophobicContact CG1-CG 3.91Å; I238-V258 HydrophobicContact CD1-CG1 4.33Å; I238-L260 HydrophobicContact CG2-CD2 4.42Å
239Q86.6Confident86.7Confident51 Ų5162.1 Ų62.124%0.23833%0.332CS..Hα-helixtrans-59.2-34.8176.4-74-178.5-3.300112.3L142 A145 L235 N236 A237 G241L142-Q239 HydrophobicContact CD1-CB 4.28Å; L142-Q239 HydrophobicContact CD1-CG 3.23Å; A145-Q239 HydrophobicContact CB-CB 4.5Å; L235-Q239 WeakPolarHBondContact O-CG 3.44Å; L235-Q239 PolarHBondContact O-N 2.98Å; N236-Q239 PolarHBondContact O-N 3.08Å; A237-Q239 PolarHBondContact O-N 2.86Å; Q239-G241 VanDerWaalsContact C-N 3.3Å
240N87.2Confident86.5Confident96 Ų9660.8 Ų60.851%0.51333%0.325SS..THydrogen-bonded Turntrans-83.5-4178.3-69.7-28.7000113.6N236 A237 I238 Q242N236-N240 WeakPolarHBondContact O-CB 3.36Å; N236-N240 VanDerWaalsContact O-CG 3.29Å; N236-N240 PolarHBondContact O-N 3.36Å; N236-N240 PolarHBondContact O-ND2 2.81Å; A237-N240 PolarHBondContact O-N 2.88Å; I238-N240 PolarHBondContact O-N 2.77Å; N240-Q242 VanDerWaalsContact C-N 3.3Å; N240-Q242 HydrophobicContact CB-CG 4.3Å
241G85.5Confident86.2Confident52 Ų5255.7 Ų55.754%0.53630%0.3SS..THydrogen-bonded Turntrans71.922.9-172.800000113.5A237 I238 Q239A237-G241 PolarHBondContact O-N 2.72Å; I238-G241 PolarHBondContact O-N 2.97Å; Q239-G241 VanDerWaalsContact C-N 3.3Å
242Q87.6Confident85.9Confident126 Ų12659.2 Ų59.259%0.58934%0.336SS*.PPolyproline II helixtrans-100.3149.8175.9-66.6-176.7-35.800110.9A237 N240 P244A237-Q242 CarbonylContact C-O 3.58Å; A237-Q242 VanDerWaalsContact C-O 3.25Å; A237-Q242 HydrophobicContact CB-CB 4.36Å; A237-Q242 WeakPolarHBondContact O-CA 3.43Å; A237-Q242 PolarHBondContact O-N 2.87Å; A237-Q242 VanDerWaalsContact O-O 3.06Å; N240-Q242 VanDerWaalsContact C-N 3.3Å; N240-Q242 HydrophobicContact CB-CG 4.3Å; Q242-P244 WeakPolarHBondContact O-CD 3.44Å
243I86.6Confident85.5Confident75 Ų7560.5 Ų60.539%0.38536%0.356SS..PPolyproline II helixtrans-78.2123.9175.9-59.4168.8000108.5E245 L247 L248 V256 V258I243-E245 PolarHBondContact O-N 3.38Å; I243-L247 HydrophobicContact CG2-CB 4.41Å; I243-L248 HydrophobicContact CB-CD1 4.49Å; I243-L248 HydrophobicContact CB-CG 4.47Å; I243-L248 HydrophobicContact CG2-CD1 4.41Å; I243-L248 HydrophobicContact CG2-CD2 4.19Å; I243-L248 HydrophobicContact CG2-CG 3.92Å; I243-V256 HydrophobicContact CG2-CB 4.09Å; I243-V256 HydrophobicContact CG2-CG1 4.13Å; I243-V258 HydrophobicContact CG2-CG2 4.33Å
244P85.6Confident85.2Confident3 Ų356.8 Ų56.82%0.01934%0.342CS..PPolyproline II helixtrans-56.2137.2177.9-26.434.8000112.9F234 A237 I238 Q242 E246 L247 L248F234-P244 HydrophobicContact CD1-CG 4.39Å; F234-P244 HydrophobicContact CD2-CB 3.29Å; F234-P244 HydrophobicContact CD2-CG 3.55Å; F234-P244 HydrophobicContact CE1-CG 4.35Å; F234-P244 HydrophobicContact CE2-CB 3.53Å; F234-P244 HydrophobicContact CE2-CG 3.48Å; F234-P244 VanDerWaalsContact CE2-CG 3.48Å; F234-P244 HydrophobicContact CG-CB 4.02Å; F234-P244 HydrophobicContact CG-CG 3.99Å; F234-P244 HydrophobicContact CZ-CB 4.42Å; F234-P244 HydrophobicContact CZ-CG 3.88Å; A237-P244 HydrophobicContact CB-CB 4.32Å; A237-P244 HydrophobicContact CB-CG 4.05Å; I238-P244 HydrophobicContact CD1-CG 4.33Å; I238-P244 HydrophobicContact CG1-CG 3.91Å; Q242-P244 WeakPolarHBondContact O-CD 3.44Å; P244-E246 PolarHBondContact O-N 3.35Å; P244-E246 VanDerWaalsContact O-N 3.13Å; P244-L247 HydrophobicContact CB-CG 4.47Å; P244-L247 PolarHBondContact O-N 3.35Å; P244-L248 PolarHBondContact O-N 2.67Å
245E85.1Confident84.8Confident106 Ų10661.4 Ų61.450%0.49537%0.365SS..Hα-helixtrans-57-33.3-176.7-70.5-157.816700113.5I243 L247 L248 K249I243-E245 PolarHBondContact O-N 3.38Å; E245-L247 VanDerWaalsContact C-N 3.28Å; E245-L247 PolarHBondContact O-N 2.64Å; E245-L248 WeakPolarHBondContact O-CB 3.26Å; E245-L248 PolarHBondContact O-N 3.11Å; E245-K249 WeakPolarHBondContact O-CG 3.48Å; E245-K249 PolarHBondContact O-N 2.63Å; E245-K249 IonicContact OE2-NZ 3.01Å; E245-K249 PolarHBondContact OE2-NZ 3.43Å
246E87.4Confident84.7Confident68 Ų6861.6 Ų61.632%0.31837%0.366SS..Hα-helixtrans-60.7-39178.9-172.4-176.816800112.3R224 P244 S250R224-E246 IonicContact CZ-OE1 3.28Å; R224-E246 IonicContact CZ-OE2 3.89Å; R224-E246 IonicContact NH1-OE1 2.73Å; R224-E246 IonicContact NH1-OE2 3.66Å; R224-E246 PolarHBondContact NH1-OE2 2.62Å; R224-E246 IonicContact NH2-OE1 2.77Å; R224-E246 PolarHBondContact NH2-OE1 3.43Å; R224-E246 IonicContact NH2-OE2 3.73Å; R224-E246 PolarHBondContact NH2-OE2 2.97Å; P244-E246 PolarHBondContact O-N 3.35Å; P244-E246 VanDerWaalsContact O-N 3.13Å; E246-S250 VanDerWaalsContact O-CB 3.3Å; E246-S250 WeakPolarHBondContact O-CB 3.36Å; E246-S250 PolarHBondContact O-N 3.46Å; E246-S250 PolarHBondContact O-OG 2.81Å
247L86.2Confident84.6Confident9 Ų959.9 Ų59.95%0.04736%0.357CS..Hα-helixtrans-72.9-35.7178.7-57.1-175000110.9V207 L218 F234 I243 P244 E245 S250 A251 V256 V258V207-L247 HydrophobicContact CB-CD1 4.05Å; V207-L247 HydrophobicContact CB-CD2 4.43Å; V207-L247 HydrophobicContact CG1-CD1 4Å; V207-L247 HydrophobicContact CG1-CD2 3.89Å; V207-L247 HydrophobicContact CG2-CD1 4.25Å; V207-L247 HydrophobicContact CG2-CD2 4.15Å; L218-L247 HydrophobicContact CD1-CD2 4.3Å; F234-L247 HydrophobicContact CE2-CD1 4.05Å; F234-L247 HydrophobicContact CE2-CD2 4.31Å; F234-L247 HydrophobicContact CE2-CG 3.99Å; F234-L247 HydrophobicContact CZ-CD1 4.3Å; I243-L247 HydrophobicContact CG2-CB 4.41Å; P244-L247 HydrophobicContact CB-CG 4.47Å; P244-L247 PolarHBondContact O-N 3.35Å; E245-L247 VanDerWaalsContact C-N 3.28Å; E245-L247 PolarHBondContact O-N 2.64Å; L247-S250 CarbonylContact O-C 3.58Å; L247-S250 PolarHBondContact O-N 3.13Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.04Å; L247-V256 HydrophobicContact CB-CG1 3.82Å; L247-V256 HydrophobicContact CD1-CG1 4.13Å; L247-V258 HydrophobicContact CD1-CG1 4.48Å; L247-V258 HydrophobicContact CD1-CG2 3.58Å
248L85.1Confident84.6Confident86 Ų8661.7 Ų61.745%0.4537%0.367SS..Hα-helixtrans-62.2-46.5173.7-70.5165.1000111.4I243 P244 E245 S250 A251 G252I243-L248 HydrophobicContact CB-CD1 4.49Å; I243-L248 HydrophobicContact CB-CG 4.47Å; I243-L248 HydrophobicContact CG2-CD1 4.41Å; I243-L248 HydrophobicContact CG2-CD2 4.19Å; I243-L248 HydrophobicContact CG2-CG 3.92Å; P244-L248 PolarHBondContact O-N 2.67Å; E245-L248 WeakPolarHBondContact O-CB 3.26Å; E245-L248 PolarHBondContact O-N 3.11Å; L248-S250 VanDerWaalsContact C-N 3.32Å; L248-S250 PolarHBondContact O-N 3.42Å; L248-A251 PolarHBondContact O-N 3.33Å; L248-A251 VanDerWaalsContact O-N 3.17Å; L248-G252 PolarHBondContact O-N 3.23Å; L248-G252 VanDerWaalsContact O-N 3.16Å
249K84.7Confident84.6Confident148 Ų14861.7 Ų61.764%0.64337%0.367SS*.Hα-helixtrans-60.8-42.8175.3-70.4166.3-169.7161.70111E245 A251E245-K249 WeakPolarHBondContact O-CG 3.48Å; E245-K249 PolarHBondContact O-N 2.63Å; E245-K249 IonicContact OE2-NZ 3.01Å; E245-K249 PolarHBondContact OE2-NZ 3.43Å; K249-A251 VanDerWaalsContact C-N 3.25Å; K249-A251 PolarHBondContact O-N 2.98Å
250S82.4Confident84.8Confident67 Ų6761.2 Ų61.247%0.46937%0.366SS..Hα-helixtrans-72.1-15.6178.1-60.20000114.4K205 E246 L247 L248K205-S250 PolarHBondContact NZ-O 2.98Å; E246-S250 VanDerWaalsContact O-CB 3.3Å; E246-S250 WeakPolarHBondContact O-CB 3.36Å; E246-S250 PolarHBondContact O-N 3.46Å; E246-S250 PolarHBondContact O-OG 2.81Å; L247-S250 CarbonylContact O-C 3.58Å; L247-S250 PolarHBondContact O-N 3.13Å; L248-S250 VanDerWaalsContact C-N 3.32Å; L248-S250 PolarHBondContact O-N 3.42Å
251A78.5Confident84.9Confident10 Ų1058.4 Ų58.48%0.08335%0.349CS..Hα-helixtrans-97.3-18.9-178.200000112.7K205 L247 L248 K249 G253 S254 V256K205-A251 HydrophobicContact CD-CB 4.4Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.04Å; L248-A251 PolarHBondContact O-N 3.33Å; L248-A251 VanDerWaalsContact O-N 3.17Å; K249-A251 VanDerWaalsContact C-N 3.25Å; K249-A251 PolarHBondContact O-N 2.98Å; A251-G253 PolarHBondContact O-N 2.96Å; A251-G253 VanDerWaalsContact O-N 3.12Å; A251-S254 WeakPolarHBondContact O-CB 3.02Å; A251-S254 PolarHBondContact O-N 3.45Å; A251-S254 PolarHBondContact O-OG 2.93Å; A251-V256 HydrophobicContact CB-CG2 3.26Å
252G78.7Confident85Confident75 Ų7558.8 Ų58.877%0.77334%0.339SS*.THydrogen-bonded Turntrans57.728.4173.200000114.6L248L248-G252 PolarHBondContact O-N 3.23Å; L248-G252 VanDerWaalsContact O-N 3.16Å
253G77.3Confident85Confident75 Ų7554.4 Ų54.477%0.77332%0.319SS*.THydrogen-bonded Turntrans102-0.3-175.600000115.3A251A251-G253 PolarHBondContact O-N 2.96Å; A251-G253 VanDerWaalsContact O-N 3.12Å
254S81.1Confident84.8Confident29 Ų2953 Ų5320%0.20331%0.31CS..  trans-70.9148.2169.7-610000111.1S203 A251 V256S203-S254 WeakPolarHBondContact CB-OG 3.12Å; S203-S254 CarbonylContact O-C 3.59Å; S203-S254 VanDerWaalsContact O-CA 3.26Å; S203-S254 WeakPolarHBondContact O-CA 3.45Å; S203-S254 WeakPolarHBondContact O-CB 3.26Å; S203-S254 WeakPolarHBondContact OG-CB 3.34Å; S203-S254 PolarHBondContact OG-OG 3.25Å; A251-S254 WeakPolarHBondContact O-CB 3.02Å; A251-S254 PolarHBondContact O-N 3.45Å; A251-S254 PolarHBondContact O-OG 2.93Å; S254-V256 PolarHBondContact O-N 3.38Å
255M81.8Confident84.6Confident100 Ų10058.4 Ų58.449%0.49334%0.335SS..EExtended strand (participates in β ladder)trans-66.9131.8171.9177.5175-76.300108.8V202 S203 E204 K205V202-M255 HydrophobicContact CG1-CB 3.86Å; S203-M255 PolarHBondContact O-N 3.1Å; E204-M255 CarbonylContact C-O 3.39Å; E204-M255 WeakPolarHBondContact CA-O 3.26Å; E204-M255 HydrophobicContact CG-CB 4.11Å; E204-M255 HydrophobicContact CG-CG 4.41Å; E204-M255 HydrophobicContact CG-SD 4.27Å; K205-M255 PolarHBondContact N-O 3.36Å
256V86.1Confident84.6Confident8 Ų857 Ų575%0.04833%0.329CS..EExtended strand (participates in β ladder)trans-112.7121.2-177.3-175.90000109.6K205 V207 I243 L247 A251 S254 V258K205-V256 WeakPolarHBondContact O-CA 3.32Å; V207-V256 HydrophobicContact CG2-CG1 4.28Å; I243-V256 HydrophobicContact CG2-CB 4.09Å; I243-V256 HydrophobicContact CG2-CG1 4.13Å; L247-V256 HydrophobicContact CB-CG1 3.82Å; L247-V256 HydrophobicContact CD1-CG1 4.13Å; A251-V256 HydrophobicContact CB-CG2 3.26Å; S254-V256 PolarHBondContact O-N 3.38Å; V256-V258 HydrophobicContact CG1-CG2 4.19Å
257N87.1Confident84.2Confident47 Ų4759.1 Ų59.125%0.25134%0.338SS..EExtended strand (participates in β ladder)trans-103.5123.8171.6-62.1-30.5000108.7K205 N206 V207K205-N257 PolarHBondContact O-N 3.18Å; N206-N257 CarbonylContact C-O 3.5Å; N206-N257 WeakPolarHBondContact CA-O 3.49Å; N206-N257 WeakPolarHBondContact OD1-CB 3.22Å; N206-N257 PolarHBondContact OD1-ND2 3.35Å; V207-N257 PolarHBondContact N-O 3.08Å
258V88.4Confident84Confident51 Ų5161.9 Ų61.931%0.30935%0.348SS..EExtended strand (participates in β ladder)trans-103.4119.4179-172.80000108.4V207 V209 I238 I243 L247 V256V207-V258 WeakPolarHBondContact O-CA 3.25Å; V209-V258 HydrophobicContact CG2-CG1 3.56Å; I238-V258 HydrophobicContact CD1-CG1 4.33Å; I243-V258 HydrophobicContact CG2-CG2 4.33Å; L247-V258 HydrophobicContact CD1-CG1 4.48Å; L247-V258 HydrophobicContact CD1-CG2 3.58Å; V256-V258 HydrophobicContact CG1-CG2 4.19Å
259M88Confident83.6Confident13 Ų1365.5 Ų65.56%0.06436%0.361CS..EExtended strand (participates in β ladder)trans-107.5134.8177.3-57.117082.600108.1L154 Y159 Y162 V207 V208 V209L154-M259 HydrophobicContact CD1-CE 3.45Å; L154-M259 VanDerWaalsContact CD1-CE 3.45Å; L154-M259 HydrophobicContact CD1-CG 4.4Å; Y159-M259 HydrophobicContact CD2-CE 3.48Å; Y159-M259 VanDerWaalsContact CD2-CE 3.48Å; Y159-M259 HydrophobicContact CE2-CE 4Å; Y159-M259 HydrophobicContact CG-CE 4.23Å; Y162-M259 VanDerWaalsContact CB-CE 3.45Å; Y162-M259 HydrophobicContact CD2-CE 4.2Å; Y162-M259 HydrophobicContact CG-CE 4.09Å; Y162-M259 HydrophobicContact CG-SD 4.38Å; V207-M259 PolarHBondContact O-N 2.74Å; V208-M259 CarbonylContact C-O 3.49Å; V208-M259 HydrophobicContact CG2-CB 4.43Å; V208-M259 HydrophobicContact CG2-SD 4.12Å; V209-M259 PolarHBondContact N-O 2.73Å
260L89.8Confident83.1Confident42 Ų4261.6 Ų61.622%0.2236%0.356CS..EExtended strand (participates in β ladder)trans-109.9125.4-178.4-163.766000109.7L142 F143 V209 M211 I238L142-L260 HydrophobicContact CD2-CD1 4.48Å; L142-L260 HydrophobicContact CD2-CD2 3.99Å; L142-L260 HydrophobicContact CG-CD2 4.08Å; F143-L260 HydrophobicContact CD1-CD2 3.72Å; F143-L260 HydrophobicContact CD1-CG 4.25Å; F143-L260 HydrophobicContact CD2-CD2 3.98Å; F143-L260 HydrophobicContact CE1-CB 3.77Å; F143-L260 HydrophobicContact CE1-CD2 3.52Å; F143-L260 HydrophobicContact CE1-CG 3.53Å; F143-L260 HydrophobicContact CE2-CD2 3.78Å; F143-L260 HydrophobicContact CE2-CG 3.95Å; F143-L260 HydrophobicContact CG-CD2 3.94Å; F143-L260 HydrophobicContact CZ-CB 4.04Å; F143-L260 HydrophobicContact CZ-CD2 3.55Å; F143-L260 HydrophobicContact CZ-CG 3.35Å; V209-L260 HydrophobicContact CB-CD1 3.73Å; V209-L260 HydrophobicContact CG1-CD1 3.67Å; V209-L260 CarbonylContact O-C 3.43Å; V209-L260 WeakPolarHBondContact O-CA 3.21Å; M211-L260 HydrophobicContact CG-CD1 3.56Å; M211-L260 HydrophobicContact CG-CG 4.09Å; M211-L260 HydrophobicContact SD-CD1 3.73Å; I238-L260 HydrophobicContact CG2-CD2 4.42Å
261E89.4Confident82.5Confident36 Ų3661.6 Ų61.617%0.16835%0.354CS..EExtended strand (participates in β ladder)trans-112.5134.4175.9-65.9-168.9121.600110.6Y159 V208 V209 K210 M211 H263Y159-E261 HydrophobicContact CE2-CG 3.96Å; Y159-E261 WeakPolarHBondContact CE2-OE1 3.05Å; Y159-E261 PolarHBondContact OH-OE1 2.89Å; Y159-E261 PolarHBondContact OH-OE2 3.49Å; V208-E261 HydrophobicContact CG1-CG 3.68Å; V208-E261 WeakPolarHBondContact CG1-OE2 3.48Å; V209-E261 PolarHBondContact O-N 3.03Å; K210-E261 WeakPolarHBondContact CE-OE2 3.09Å; K210-E261 HydrophobicContact CG-CB 4.13Å; K210-E261 WeakPolarHBondContact CG-OE2 3.3Å; M211-E261 WeakPolarHBondContact CB-O 3.47Å; M211-E261 PolarHBondContact N-O 3.48Å; E261-H263 IonicContact OE2-NE2 3.57Å
262D88.8Confident81.7Confident61 Ų6165.6 Ų65.633%0.32638%0.381SS..EExtended strand (participates in β ladder)trans-93.7110.9179.3-170.40.9000110.5F143 H264F143-D262 HydrophobicContact CE1-CB 4.43Å; F143-D262 HydrophobicContact CE2-CB 3.67Å; F143-D262 HydrophobicContact CZ-CB 3.6Å; D262-H264 WeakPolarHBondContact OD1-CB 3.13Å; D262-H264 IonicContact OD1-CE1 3.52Å; D262-H264 IonicContact OD1-CG 2.74Å; D262-H264 PolarHBondContact OD1-N 2.98Å; D262-H264 VanDerWaalsContact OD1-N 3.08Å; D262-H264 IonicContact OD1-ND1 3.87Å; D262-H264 PolarHBondContact OD1-ND1 3.17Å; D262-H264 IonicContact OD2-CE1 3.37Å; D262-H264 IonicContact OD2-ND1 3.51Å; D262-H264 PolarHBondContact OD2-ND1 3.41Å
263H86.5Confident81Confident33 Ų3365.6 Ų65.615%0.15337%0.374CS..EExtended strand (participates in β ladder)trans-123.129.3175.3-68.8-92.4000111M211 W212 E261 H265 E266M211-H263 CarbonylContact O-C 3.26Å; M211-H263 WeakPolarHBondContact O-CA 3.46Å; M211-H263 VanDerWaalsContact O-CB 3.25Å; M211-H263 WeakPolarHBondContact O-CB 3.33Å; M211-H263 PolarHBondContact O-N 3.12Å; W212-H263 HydrophobicContact CD2-CB 3.99Å; W212-H263 HydrophobicContact CE3-CB 3.5Å; W212-H263 HydrophobicContact CH2-CB 4.3Å; W212-H263 AromaticContact CH2-ND1 3.97Å; W212-H263 HydrophobicContact CZ3-CB 3.67Å; W212-H263 AromaticContact CZ3-CG 3.81Å; W212-H263 AromaticContact CZ3-ND1 3.79Å; E261-H263 IonicContact OE2-NE2 3.57Å; H263-H265 PolarHBondContact O-N 2.67Å; H263-E266 HydrophobicContact CB-CB 4.34Å; H263-E266 IonicContact CE1-OE2 3.86Å; H263-E266 IonicContact CG-OE2 3.52Å; H263-E266 IonicContact ND1-OE1 3.5Å; H263-E266 IonicContact ND1-OE2 2.67Å; H263-E266 PolarHBondContact ND1-OE2 2.79Å; H263-E266 PolarHBondContact O-N 3.25Å
264H83.5Confident80.4Confident46 Ų4666.5 Ų66.521%0.21337%0.366CS..THydrogen-bonded Turntrans-57-25.5-174.268-89.6000114.5D136 I139 M211 R213 D262D136-H264 IonicContact OD1-CD2 3.43Å; D136-H264 PolarHBondContact OD1-CD2 2.96Å; D136-H264 VanDerWaalsContact OD1-CD2 3.28Å; D136-H264 IonicContact OD1-CG 3.28Å; I139-H264 HydrophobicContact CD1-CB 3.48Å; I139-H264 VanDerWaalsContact CD1-CB 3.48Å; M211-H264 PolarHBondContact O-N 2.87Å; M211-H264 VanDerWaalsContact O-N 3.16Å; R213-H264 WeakPolarHBondContact CB-O 3.49Å; D262-H264 WeakPolarHBondContact OD1-CB 3.13Å; D262-H264 IonicContact OD1-CE1 3.52Å; D262-H264 IonicContact OD1-CG 2.74Å; D262-H264 PolarHBondContact OD1-N 2.98Å; D262-H264 VanDerWaalsContact OD1-N 3.08Å; D262-H264 IonicContact OD1-ND1 3.87Å; D262-H264 PolarHBondContact OD1-ND1 3.17Å; D262-H264 IonicContact OD2-CE1 3.37Å; D262-H264 IonicContact OD2-ND1 3.51Å; D262-H264 PolarHBondContact OD2-ND1 3.41Å
265H81.6Confident79.7Confident116 Ų11674.3 Ų74.354%0.53740%0.397SS..THydrogen-bonded Turntrans-86.1-12.4179.157.1-75.7000113.1R213 H263R213-H265 PolarHBondContact NH2-O 2.88Å; H263-H265 PolarHBondContact O-N 2.67Å
266E83.4Confident79Confident77 Ų7776 Ų7636%0.3641%0.406SS..SBendtrans-100.3147.6-175.9-59.7-177174.100111.7W212 R213 H263W212-E266 HydrophobicContact CE3-CB 3.92Å; W212-E266 HydrophobicContact CZ3-CB 3.84Å; W212-E266 WeakPolarHBondContact CZ3-OE2 3.44Å; R213-E266 PolarHBondContact NE-O 3.03Å; H263-E266 HydrophobicContact CB-CB 4.34Å; H263-E266 IonicContact CE1-OE2 3.86Å; H263-E266 IonicContact CG-OE2 3.52Å; H263-E266 IonicContact ND1-OE1 3.5Å; H263-E266 IonicContact ND1-OE2 2.67Å; H263-E266 PolarHBondContact ND1-OE2 2.79Å; H263-E266 PolarHBondContact O-N 3.25Å
267E80.4Confident78.2Confident112 Ų11282.8 Ų82.852%0.52344%0.435SS..  trans-82.6139.2165-64.6-177.8-17800108.8R213 K269R213-E267 IonicContact CZ-OE1 2.79Å; R213-E267 IonicContact NH1-OE1 2.8Å; R213-E267 PolarHBondContact NH1-OE1 3.24Å; E267-K269 PolarHBondContact O-N 2.81Å; E267-K269 VanDerWaalsContact O-N 3.1Å
268W81.3Confident77.6Confident67 Ų6785.3 Ų85.325%0.25445%0.454SS..  trans-66.7115.3171.6179.481.8000110.2W212 L223 A270W212-W268 HydrophobicContact CB-CB 4.37Å; W212-W268 AromaticContact CD1-CD1 3.91Å; W212-W268 HydrophobicContact CD2-CB 3.97Å; W212-W268 HydrophobicContact CD2-CG 4.49Å; W212-W268 AromaticContact CE2-CD1 3.55Å; W212-W268 HydrophobicContact CE3-CB 4.41Å; W212-W268 HydrophobicContact CG-CB 3.91Å; W212-W268 AromaticContact CZ2-CD1 3.87Å; W212-W268 AromaticContact NE1-CD1 3.43Å; L223-W268 HydrophobicContact CB-CB 4.45Å; L223-W268 HydrophobicContact CB-CD2 3.55Å; L223-W268 HydrophobicContact CB-CE3 3.74Å; L223-W268 HydrophobicContact CB-CG 3.88Å; L223-W268 HydrophobicContact CB-CH2 4.34Å; L223-W268 HydrophobicContact CB-CZ2 4.18Å; L223-W268 HydrophobicContact CB-CZ3 4.14Å; L223-W268 HydrophobicContact CD1-CB 3.76Å; L223-W268 HydrophobicContact CD1-CD2 4.41Å; L223-W268 HydrophobicContact CD1-CG 3.81Å; L223-W268 HydrophobicContact CD2-CB 3.9Å; L223-W268 HydrophobicContact CD2-CD2 4.32Å; L223-W268 HydrophobicContact CD2-CE3 4.23Å; L223-W268 HydrophobicContact CD2-CG 4.22Å; L223-W268 HydrophobicContact CG-CB 4.25Å; L223-W268 HydrophobicContact CG-CD2 4.31Å; L223-W268 HydrophobicContact CG-CG 4.18Å; W268-A270 HydrophobicContact CE3-CB 4.46Å; W268-A270 VanDerWaalsContact CH2-CA 3.49Å; W268-A270 HydrophobicContact CH2-CB 3.51Å; W268-A270 HydrophobicContact CZ2-CB 4.13Å; W268-A270 HydrophobicContact CZ3-CB 3.7Å
269K77.3Confident76.7Confident163 Ų16392.5 Ų92.571%0.70948%0.482SS*.PPolyproline II helixtrans-95.6121.3167.3-65.8178.9-176.3172.60107.9E267 P271E267-K269 PolarHBondContact O-N 2.81Å; E267-K269 VanDerWaalsContact O-N 3.1Å; K269-P271 VanDerWaalsContact O-N 3.14Å
270A74.2Confident76.2Confident65 Ų6596.6 Ų96.654%0.53751%0.511SS..PPolyproline II helixtrans-48.2123.8175.800000109.5W268 S272W268-A270 HydrophobicContact CE3-CB 4.46Å; W268-A270 VanDerWaalsContact CH2-CA 3.49Å; W268-A270 HydrophobicContact CH2-CB 3.51Å; W268-A270 HydrophobicContact CZ2-CB 4.13Å; W268-A270 HydrophobicContact CZ3-CB 3.7Å; A270-S272 PolarHBondContact O-N 2.67Å
271P68.6Low75.4Confident67 Ų6797.5 Ų97.544%0.43553%0.531SS..PPolyproline II helixtrans-50.8122.1178.7-26.432.8000108.5K269 A273K269-P271 VanDerWaalsContact O-N 3.14Å; P271-A273 PolarHBondContact O-N 2.97Å
272S63.1Low74.9Confident94 Ų94101.7 Ų101.766%0.65756%0.558SS**  trans-53.4113.6178.4173.90000106.7A270A270-S272 PolarHBondContact O-N 2.67Å
273A63.5Low74.2Confident75 Ų75102.4 Ų102.462%0.6258%0.581SS**  trans-47.4131176.100000107.3P271 K275P271-A273 PolarHBondContact O-N 2.97Å; A273-K275 PolarHBondContact O-N 2.8Å
274P65.2Low73.7Confident94 Ų94108.5 Ų108.561%0.6161%0.609SS**  trans-54.9113.3-175.419.6-30.6000107.5I276P274-I276 PolarHBondContact O-N 2.97Å
275K65.4Low73.3Confident194 Ų194114 Ų11484%0.84364%0.637SS**SBendtrans-57.2-18.8-172-69.3179-179.2174.60112A273A273-K275 PolarHBondContact O-N 2.8Å
276I67.7Low72.7Confident136 Ų136116.9 Ų116.970%0.69766%0.655SS**  trans-139.2112.9179.8-51.7170.6000106.7P274 P278P274-I276 PolarHBondContact O-N 2.97Å; I276-P278 VanDerWaalsContact O-CD 3.22Å; I276-P278 WeakPolarHBondContact O-CD 3.42Å
277K69.2Low72Confident150 Ų150116.9 Ų116.965%0.65268%0.676SS**  trans-80.9104.5159.8-72.2-178.2-176.5179.30105.9F279 S280K277-F279 PolarHBondContact O-N 3.4Å; K277-S280 WeakPolarHBondContact O-CB 3.4Å; K277-S280 PolarHBondContact O-N 3.36Å; K277-S280 PolarHBondContact O-OG 3.16Å
278P75.3Confident71.1Confident99 Ų99114.4 Ų114.464%0.64367%0.671SS**THydrogen-bonded Turntrans-57.4137.2179.324.8-32.7000109I276 S280I276-P278 VanDerWaalsContact O-CD 3.22Å; I276-P278 WeakPolarHBondContact O-CD 3.42Å; P278-S280 PolarHBondContact O-N 3.41Å
279F69.5Low70.2Confident203 Ų203117.5 Ų117.589%0.8970%0.699SS**THydrogen-bonded Turntrans63.527.7-177-44.4-77.8000116K277 G281K277-F279 PolarHBondContact O-N 3.4Å; F279-G281 PolarHBondContact O-N 3.12Å
280S76.9Confident69.3Low99 Ų99116.1 Ų116.169%0.69270%0.699SS**  trans-73-0.9171.468.70000114.6K277 P278K277-S280 WeakPolarHBondContact O-CB 3.4Å; K277-S280 PolarHBondContact O-N 3.36Å; K277-S280 PolarHBondContact O-OG 3.16Å; P278-S280 PolarHBondContact O-N 3.41Å
281G72.9Confident68.6Low61 Ų61118.4 Ų118.463%0.62971%0.709SS**SBendtrans-82147.2177.200000111.8F279 G283F279-G281 PolarHBondContact O-N 3.12Å; G281-G283 PolarHBondContact O-N 2.73Å
282V78.5Confident68.3Low123 Ų123123.7 Ų123.775%0.74573%0.727SS**PPolyproline II helixtrans-73.7122171.9-164.70000108.5H284V282-H284 PolarHBondContact O-N 3.14Å; V282-H284 PolarHBondContact O-ND1 2.98Å
283G74.6Confident68.1Low77 Ų77123.1 Ų123.179%0.79472%0.719SS**PPolyproline II helixtrans-69.2125.3174.100000110.7G281G281-G283 PolarHBondContact O-N 2.73Å
284H75.7Confident67.9Low161 Ų161125.3 Ų125.375%0.74573%0.725SS**  trans-107.6123.4174.6-66.576.9000109V282 L286V282-H284 PolarHBondContact O-N 3.14Å; V282-H284 PolarHBondContact O-ND1 2.98Å; H284-L286 PolarHBondContact O-N 2.97Å
285M74.9Confident67.3Low161 Ų161125.8 Ų125.879%0.79373%0.73SS**  trans-76.8118.4178.4-135.9173.976.300109.6
286L70.3Confident66.7Low177 Ų177123.5 Ų123.593%0.92773%0.727SS**THydrogen-bonded Turntrans-87.2123.9172.5-70.5159.5000108.5H284H284-L286 PolarHBondContact O-N 2.97Å
287G67.9Low65.8Low77 Ų77121.1 Ų121.179%0.79473%0.728SS**THydrogen-bonded Turntrans118.34.3172.500000116.9P289G287-P289 WeakPolarHBondContact O-CD 3.49Å
288S60.9Low64.8Low59 Ų59119.2 Ų119.241%0.41373%0.731SS.*  trans-79.8119.8163.959.40000109.5L290S288-L290 PolarHBondContact O-N 2.97Å; S288-L290 PolarHBondContact OG-O 3.2Å
289P62.4Low63.2Low132 Ų132120.1 Ų120.186%0.85774%0.735SS**SBendtrans-68.33.2177.128.3-35000113.7G287G287-P289 WeakPolarHBondContact O-CD 3.49Å
290L58Low61.8Low135 Ų135120.5 Ų120.571%0.70774%0.736SS**SBendtrans-104.1119.3176.5-64.3166.9000108.6S288 H292S288-L290 PolarHBondContact O-N 2.97Å; S288-L290 PolarHBondContact OG-O 3.2Å; L290-H292 PolarHBondContact O-N 2.88Å
291P60.2Low60.1Low113 Ų113121.1 Ų121.173%0.73474%0.736SS**  trans-60.8122.417125-31.2000108.6V293P291-V293 PolarHBondContact O-N 3.04Å
292H62.5Low58.3Low177 Ų177126.2 Ų126.282%0.81975%0.748SS**  trans-65.6104.1173.2-148.663.5000107.5L290 V294L290-H292 PolarHBondContact O-N 2.88Å; H292-V294 PolarHBondContact O-N 2.92Å
293V58.7Low56.5Low83 Ų83125.7 Ų125.750%0.50375%0.745SS.*  trans-68.1100.7171.9179.40000106.2P291 S295P291-V293 PolarHBondContact O-N 3.04Å; V293-S295 VanDerWaalsContact C-N 3.3Å; V293-S295 PolarHBondContact O-N 3.41Å
294V60.1Low54.5Low120 Ų120129.4 Ų129.473%0.72775%0.747SS**  trans-64.196.8168-125.90000106.5H292 N296H292-V294 PolarHBondContact O-N 2.92Å; V294-N296 PolarHBondContact O-N 2.82Å
295S51.5Low52.7Low105 Ų105129.6 Ų129.673%0.73475%0.748SS**  trans-71.390.9165.8-172.50000106.6V293 A297V293-S295 VanDerWaalsContact C-N 3.3Å; V293-S295 PolarHBondContact O-N 3.41Å; S295-A297 PolarHBondContact O-N 2.91Å
296N52.4Low50.7Low145 Ų145131.2 Ų131.278%0.77575%0.751SS**  trans-59.596.7157.3-102.239.7000105.3V294 P298V294-N296 PolarHBondContact O-N 2.82Å; N296-P298 WeakPolarHBondContact O-CD 3.01Å
297A49.4Very low49.1Very low87 Ų87131 Ų13172%0.71974%0.744SS**  trans-61.4108.8170.100000107.6S295 T299S295-A297 PolarHBondContact O-N 2.91Å; A297-T299 PolarHBondContact O-N 2.91Å
298P47.7Very low48Very low110 Ų110135 Ų13571%0.71474%0.742SS**  trans-71.3129.6162.729.6-21.1000106.4N296 K300N296-P298 WeakPolarHBondContact O-CD 3.01Å; P298-K300 PolarHBondContact O-N 3.49Å
299T43.1Very low47.3Very low117 Ų117137.6 Ų137.672%0.71876%0.758SS**  trans-23.1125.9161.5420000112.9A297 V301A297-T299 PolarHBondContact O-N 2.91Å; T299-V301 PolarHBondContact O-N 2.81Å
300K39.3Very low47Very low212 Ų212133.1 Ų133.192%0.92274%0.736SS**  trans-39.596.7170.7-64179.1178.3-178.80110.9P298P298-K300 PolarHBondContact O-N 3.49Å
301V41.1Very low47.4Very low112 Ų112128.3 Ų128.368%0.67971%0.712SS**  trans-100.3105.9162.8-76.10000106.2T299 V303T299-V301 PolarHBondContact O-N 2.81Å; V301-V303 VanDerWaalsContact C-N 3.29Å; V301-V303 HydrophobicContact CB-CG2 4.29Å; V301-V303 HydrophobicContact CG2-CG2 4.34Å; V301-V303 PolarHBondContact O-N 3.21Å
302N36.1Very low48Very low167 Ų167128.3 Ų128.389%0.89371%0.711SS**  trans-58.395.7164.1-78.1-25.7000107.7
303V39.6Very low48.7Very low113 Ų113122.5 Ų122.569%0.68569%0.687SS**  trans-110.376.9163.9-169.60000106.8V301 E305V301-V303 VanDerWaalsContact C-N 3.29Å; V301-V303 HydrophobicContact CB-CG2 4.29Å; V301-V303 HydrophobicContact CG2-CG2 4.34Å; V301-V303 PolarHBondContact O-N 3.21Å; V303-E305 PolarHBondContact O-N 2.89Å
304N33Very low49.7Very low155 Ų155121.2 Ų121.283%0.82968%0.678SS**  trans-59.8107.5147.2-128.1-0.3000104.9
305E36.8Very low50.6Low165 Ų165122.4 Ų122.477%0.77168%0.68SS**  trans170120.1149.5-93.4163.5-155.700111.6V303V303-E305 PolarHBondContact O-N 2.89Å
306K33.2Very low52.1Low195 Ų195123.1 Ų123.185%0.84868%0.68SS**  trans76.168.1167.5-56.6175.8-177.3172.10116.9E308K306-E308 PolarHBondContact O-N 3.27Å
307H37.3Very low53.6Low171 Ų171120.6 Ų120.679%0.79266%0.662SS**  trans-61.2114.6150.8-85.6-143.5000108.8
308E45.5Very low55.3Low161 Ų161120.5 Ų120.575%0.75265%0.654SS**  trans-52.1137.5155.4-79.6-101.2131.700107.8K306 G310K306-E308 PolarHBondContact O-N 3.27Å; E308-G310 PolarHBondContact O-N 3.46Å
309P45.5Very low57.1Low114 Ų114118.2 Ų118.274%0.7464%0.638SS**  trans-60.6110.8-175.225.8-32.5000108.5
310G56.3Low59.3Low39 Ų39113 Ų11340%0.40261%0.606SS.*  trans-50.7152.6166.900000109.7E308 T312E308-G310 PolarHBondContact O-N 3.46Å; G310-T312 PolarHBondContact O-N 3.37Å; G310-T312 VanDerWaalsContact O-N 3.08Å
311V65.6Low61.8Low33 Ų33107.5 Ų107.520%0.258%0.584CS.*  trans-48.4117.9-175.7-178.70000110.5V313 L336 H340 D344 A348V311-V313 PolarHBondContact O-N 3.13Å; V311-L336 HydrophobicContact CB-CD2 3.87Å; V311-L336 HydrophobicContact CG1-CD2 3.59Å; V311-L336 HydrophobicContact CG2-CD2 4.19Å; V311-H340 WeakPolarHBondContact CG1-CD2 3.26Å; V311-H340 WeakPolarHBondContact CG1-NE2 3.38Å; V311-D344 HydrophobicContact CG1-CB 4.33Å; V311-D344 HydrophobicContact CG2-CB 3.85Å; V311-D344 VanDerWaalsContact CG2-O 3.32Å; V311-D344 WeakPolarHBondContact CG2-O 3.44Å; V311-A348 HydrophobicContact CG2-CB 4.12Å
312T73.5Confident64.2Low114 Ų114102.2 Ų102.270%0.69955%0.551SS**  trans-72.9109.5-178.547.40000110.2G310G310-T312 PolarHBondContact O-N 3.37Å; G310-T312 VanDerWaalsContact O-N 3.08Å
313V77.7Confident66.8Low55 Ų5596.9 Ų96.933%0.33352%0.521SS..  trans-80.1121.9175.5-174.70000109V311 V319 R335 N337V311-V313 PolarHBondContact O-N 3.13Å; V313-V319 HydrophobicContact CG1-CG1 4.32Å; V313-V319 HydrophobicContact CG1-CG2 4.22Å; V313-R335 WeakPolarHBondContact CG2-O 3.34Å; V313-N337 WeakPolarHBondContact CG1-OD1 3.37Å
314D80.2Confident69.4Low56 Ų5691.5 Ų91.530%0.29949%0.489SS..  trans-97.1107.8173.4173.68.1000108.9T316 K317 N337D314-T316 PolarHBondContact O-N 2.79Å; D314-T316 VanDerWaalsContact O-N 3.11Å; D314-T316 WeakPolarHBondContact OD1-CB 3.22Å; D314-T316 WeakPolarHBondContact OD1-CG2 3.47Å; D314-T316 PolarHBondContact OD1-N 2.85Å; D314-T316 VanDerWaalsContact OD1-N 3.1Å; D314-T316 PolarHBondContact OD1-OG1 2.59Å; D314-T316 PolarHBondContact OD2-OG1 2.95Å; D314-K317 PolarHBondContact O-N 3.22Å; D314-K317 WeakPolarHBondContact OD2-CE 3.48Å; D314-K317 IonicContact OD2-NZ 2.63Å; D314-N337 WeakPolarHBondContact CB-ND2 3.41Å; D314-N337 PolarHBondContact N-ND2 3.05Å; D314-N337 PolarHBondContact O-ND2 3.24Å; D314-N337 PolarHBondContact O-OD1 3.02Å
315D78.8Confident72.2Confident144 Ų14489.9 Ų89.977%0.7747%0.471SS*.THydrogen-bonded Turntrans-65.5-9.3-176.9-69.1-34.9000113.8K317D315-K317 VanDerWaalsContact C-N 3.28Å
316T82.9Confident74.7Confident120 Ų12082.6 Ų82.674%0.73644%0.437SS*.THydrogen-bonded Turntrans-79.5-11.9176.868.40000113.4D314D314-T316 PolarHBondContact O-N 2.79Å; D314-T316 VanDerWaalsContact O-N 3.11Å; D314-T316 WeakPolarHBondContact OD1-CB 3.22Å; D314-T316 WeakPolarHBondContact OD1-CG2 3.47Å; D314-T316 PolarHBondContact OD1-N 2.85Å; D314-T316 VanDerWaalsContact OD1-N 3.1Å; D314-T316 PolarHBondContact OD1-OG1 2.59Å; D314-T316 PolarHBondContact OD2-OG1 2.95Å
317K82.2Confident77.2Confident93 Ų9376 Ų7640%0.40441%0.414SS..SBendtrans-112.8159.4-176.5-69.6175.1-173.2168.10110.1D314 D315 V319 F339D314-K317 PolarHBondContact O-N 3.22Å; D314-K317 WeakPolarHBondContact OD2-CE 3.48Å; D314-K317 IonicContact OD2-NZ 2.63Å; D315-K317 VanDerWaalsContact C-N 3.28Å; K317-V319 WeakPolarHBondContact O-CG2 2.99Å; K317-V319 PolarHBondContact O-N 3.28Å; K317-V319 VanDerWaalsContact O-N 3.13Å; K317-F339 HydrophobicContact CB-CE1 4.01Å; K317-F339 HydrophobicContact CD-CD1 3.85Å; K317-F339 HydrophobicContact CD-CE1 3.19Å; K317-F339 HydrophobicContact CD-CZ 3.92Å; K317-F339 HydrophobicContact CG-CE1 4.23Å
318P85Confident79.5Confident84 Ų8471.9 Ų71.955%0.54540%0.398SS..  trans-59.2121.5179.123.8-34000110.7N337 N338P318-N337 VanDerWaalsContact O-CA 3.27Å; P318-N337 WeakPolarHBondContact O-CA 3.25Å; P318-N338 HydrophobicContact CG-CB 4.17Å; P318-N338 PolarHBondContact O-N 2.88Å; P318-N338 VanDerWaalsContact O-N 3.08Å; P318-N338 PolarHBondContact O-OD1 3.41Å
319V87.2Confident81.3Confident62 Ų6267.5 Ų67.538%0.37640%0.396SS..EExtended strand (participates in β ladder)trans-95.8140178.5-174.60000109.2V313 K317 R335 N337V313-V319 HydrophobicContact CG1-CG1 4.32Å; V313-V319 HydrophobicContact CG1-CG2 4.22Å; K317-V319 WeakPolarHBondContact O-CG2 2.99Å; K317-V319 PolarHBondContact O-N 3.28Å; K317-V319 VanDerWaalsContact O-N 3.13Å; V319-R335 HydrophobicContact CG1-CB 4.38Å; V319-N337 WeakPolarHBondContact CG2-OD1 3.29Å
320T88.8Confident83.3Confident7 Ų763.6 Ų63.64%0.04337%0.372CS..EExtended strand (participates in β ladder)trans-124.5157.3174.552.80000111R335 L336 N338 L385T320-R335 WeakPolarHBondContact O-CA 3.5Å; T320-L336 WeakPolarHBondContact CA-O 3.44Å; T320-L336 PolarHBondContact N-O 2.6Å; T320-L336 PolarHBondContact O-N 3.24Å; T320-L336 VanDerWaalsContact O-O 3.12Å; T320-L336 PolarHBondContact OG1-O 2.74Å; T320-N338 WeakPolarHBondContact CG2-OD1 3.21Å; T320-L385 HydrophobicContact CG2-CB 4.04Å; T320-L385 HydrophobicContact CG2-CD2 3.7Å; T320-L385 HydrophobicContact CG2-CG 4.42Å
321Q90.9Very high84.9Confident98 Ų9870.4 Ų70.446%0.45839%0.385SS..EExtended strand (participates in β ladder)trans-119.4117.5179.6-62.5-172.7-9.300110V333 R335 N386Q321-V333 HydrophobicContact CB-CG1 3.95Å; Q321-R335 HydrophobicContact CG-CG 4.37Å; Q321-N386 PolarHBondContact N-OD1 2.67Å; Q321-N386 VanDerWaalsContact O-CA 3.31Å; Q321-N386 WeakPolarHBondContact O-CA 3.48Å
322I91.4Very high86.1Confident0 Ų070.6 Ų70.60%038%0.383CS..EExtended strand (participates in β ladder)trans-107.6127.3-179.5-58.1178000109I324 V333 V334 L336 I345 L379 L389I322-I324 HydrophobicContact CG2-CG1 4.41Å; I322-V333 WeakPolarHBondContact O-CA 3.35Å; I322-V334 PolarHBondContact N-O 2.97Å; I322-V334 PolarHBondContact O-N 2.88Å; I322-L336 HydrophobicContact CD1-CD1 3.82Å; I322-I345 HydrophobicContact CD1-CD1 3.91Å; I322-I345 HydrophobicContact CD1-CG1 4.35Å; I322-L379 HydrophobicContact CD1-CD1 4.11Å; I322-L379 HydrophobicContact CD1-CD2 3.19Å; I322-L379 HydrophobicContact CD1-CG 4.28Å; I322-L379 HydrophobicContact CG1-CD2 4.49Å; I322-L389 HydrophobicContact CG2-CB 4.41Å; I322-L389 HydrophobicContact CG2-CD1 3.78Å; I322-L389 HydrophobicContact CG2-CG 3.76Å
323Q92.3Very high86.9Confident56 Ų5669 Ų6926%0.26237%0.373SS..EExtended strand (participates in β ladder)trans-91.1114176.2-174.4175.426.900110.4V333 S387 S388 L389Q323-V333 HydrophobicContact CG-CG2 4.44Å; Q323-S387 PolarHBondContact N-O 3.08Å; Q323-S387 VanDerWaalsContact N-O 3.15Å; Q323-S388 CarbonylContact O-C 3.58Å; Q323-S388 VanDerWaalsContact O-CA 3.26Å; Q323-S388 WeakPolarHBondContact O-CA 3.47Å; Q323-S388 PolarHBondContact O-OG 3.42Å; Q323-S388 VanDerWaalsContact O-OG 3.1Å; Q323-L389 PolarHBondContact O-N 3.03Å
324I92.4Very high87.4Confident0 Ų067.2 Ų67.20%036%0.362CS..EExtended strand (participates in β ladder)trans-96.8123.5178.8-63.3150.5000108.9I322 L326 R331 F332 V334 I345 I349 L389 V391I322-I324 HydrophobicContact CG2-CG1 4.41Å; I324-L326 HydrophobicContact CG2-CD1 4.12Å; I324-R331 VanDerWaalsContact O-CA 3.25Å; I324-R331 WeakPolarHBondContact O-CA 3.38Å; I324-F332 HydrophobicContact CB-CD2 4.49Å; I324-F332 HydrophobicContact CB-CE1 4.48Å; I324-F332 HydrophobicContact CB-CE2 4.22Å; I324-F332 HydrophobicContact CB-CZ 4.2Å; I324-F332 HydrophobicContact CD1-CD2 4.14Å; I324-F332 HydrophobicContact CD1-CE2 3.48Å; I324-F332 VanDerWaalsContact CD1-CE2 3.48Å; I324-F332 HydrophobicContact CD1-CZ 3.94Å; I324-F332 HydrophobicContact CG1-CE2 4.48Å; I324-F332 HydrophobicContact CG2-CE1 4.22Å; I324-F332 HydrophobicContact CG2-CZ 4.06Å; I324-F332 PolarHBondContact N-O 3.06Å; I324-F332 PolarHBondContact O-N 2.9Å; I324-V334 HydrophobicContact CD1-CB 4.07Å; I324-V334 HydrophobicContact CD1-CG2 3.39Å; I324-I345 HydrophobicContact CD1-CG2 4.28Å; I324-I349 HydrophobicContact CD1-CD1 3.99Å; I324-I349 HydrophobicContact CD1-CG1 3.61Å; I324-I349 HydrophobicContact CG1-CD1 4.26Å; I324-I349 HydrophobicContact CG1-CG1 4.35Å; I324-I349 HydrophobicContact CG2-CD1 3.97Å; I324-I349 HydrophobicContact CG2-CG1 4.14Å; I324-L389 CarbonylContact C-O 3.5Å; I324-L389 WeakPolarHBondContact CA-O 3.36Å; I324-V391 HydrophobicContact CG2-CG2 3.61Å
325R92.3Very high87.9Confident121 Ų12172.6 Ų72.646%0.45738%0.378SS..EExtended strand (participates in β ladder)trans-102.2121.7173.8-66.3-178.6-179.9-134.50.6109.1L389 I390 V391R325-L389 PolarHBondContact N-O 3.18Å; R325-I390 HydrophobicContact CB-CG1 4.36Å; R325-V391 PolarHBondContact O-N 3.23Å
326L90.1Very high88.4Confident11 Ų1165.7 Ų65.76%0.05834%0.342CS..PPolyproline II helixtrans-93.8157.1-178-73.891000111I324 D328 G329 S330 F332 R353 L356I324-L326 HydrophobicContact CG2-CD1 4.12Å; L326-D328 WeakPolarHBondContact CB-OD1 3.4Å; L326-D328 PolarHBondContact O-N 3.23Å; L326-G329 PolarHBondContact O-N 2.79Å; L326-S330 PolarHBondContact N-O 2.99Å; L326-F332 HydrophobicContact CD1-CD1 3.28Å; L326-F332 HydrophobicContact CD1-CE1 3.18Å; L326-F332 HydrophobicContact CD1-CG 4.5Å; L326-F332 HydrophobicContact CD1-CZ 4.32Å; L326-F332 HydrophobicContact CD2-CE1 4Å; L326-F332 HydrophobicContact CG-CE1 4.05Å; L326-R353 HydrophobicContact CD2-CG 4Å; L326-L356 HydrophobicContact CD2-CD1 3.77Å
327P85.1Confident88.7Confident56 Ų5660 Ų6036%0.36431%0.307SS..THydrogen-bonded Turntrans-67.8-12.3176.625.7-33.6000113.8G329 V391 F393P327-G329 PolarHBondContact O-N 3Å; P327-V391 WeakPolarHBondContact CD-O 3.46Å; P327-F393 HydrophobicContact CB-CD2 3.92Å; P327-F393 HydrophobicContact CB-CE2 3.75Å; P327-F393 HydrophobicContact CB-CZ 4.47Å; P327-F393 HydrophobicContact CG-CD1 4.49Å; P327-F393 HydrophobicContact CG-CD2 3.58Å; P327-F393 HydrophobicContact CG-CE1 4.07Å; P327-F393 HydrophobicContact CG-CE2 3.07Å; P327-F393 HydrophobicContact CG-CG 4.27Å; P327-F393 HydrophobicContact CG-CZ 3.35Å
328D85.2Confident89Confident85 Ų8556.8 Ų56.846%0.45529%0.294SS..THydrogen-bonded Turntrans-81.60.6171.572.5-18.4000113.1L326 S330 R353L326-D328 WeakPolarHBondContact CB-OD1 3.4Å; L326-D328 PolarHBondContact O-N 3.23Å; D328-S330 PolarHBondContact O-N 3.34Å; D328-S330 WeakPolarHBondContact OD1-CA 3.12Å; D328-S330 WeakPolarHBondContact OD1-CB 3.47Å; D328-S330 PolarHBondContact OD1-N 3.03Å; D328-S330 PolarHBondContact OD1-OG 3.12Å; D328-S330 WeakPolarHBondContact OD2-CB 3.41Å; D328-S330 PolarHBondContact OD2-OG 2.86Å; D328-R353 IonicContact OD2-CZ 2.88Å; D328-R353 IonicContact OD2-NH1 3.25Å; D328-R353 PolarHBondContact OD2-NH1 2.9Å; D328-R353 IonicContact OD2-NH2 2.96Å; D328-R353 PolarHBondContact OD2-NH2 2.84Å
329G84.5Confident89.1Confident69 Ų6957.2 Ų57.271%0.71129%0.287SS*.SBendtrans83.1-7.5-176.100000114.2L326 P327L326-G329 PolarHBondContact O-N 2.79Å; P327-G329 PolarHBondContact O-N 3Å
330S87.2Confident89.2Confident33 Ų3354.9 Ų54.923%0.23127%0.272CS..  trans-73.4157.3174.476.30000111.2L326 D328 R353L326-S330 PolarHBondContact N-O 2.99Å; D328-S330 PolarHBondContact O-N 3.34Å; D328-S330 WeakPolarHBondContact OD1-CA 3.12Å; D328-S330 WeakPolarHBondContact OD1-CB 3.47Å; D328-S330 PolarHBondContact OD1-N 3.03Å; D328-S330 PolarHBondContact OD1-OG 3.12Å; D328-S330 WeakPolarHBondContact OD2-CB 3.41Å; D328-S330 PolarHBondContact OD2-OG 2.86Å; S330-R353 PolarHBondContact OG-NH2 3.18Å
331R89.9Confident89.3Confident182 Ų18256.2 Ų56.269%0.68728%0.281SS*.EExtended strand (participates in β ladder)trans-136.7139.4177.566.5-166.6-174165.9-2.2109.1I324I324-R331 VanDerWaalsContact O-CA 3.25Å; I324-R331 WeakPolarHBondContact O-CA 3.38Å
332F90.6Very high89.3Confident37 Ų3751.6 Ų51.616%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-138.6164.7169.464.2-95.1000110.4I324 L326 V334 I349 E352 R353I324-F332 HydrophobicContact CB-CD2 4.49Å; I324-F332 HydrophobicContact CB-CE1 4.48Å; I324-F332 HydrophobicContact CB-CE2 4.22Å; I324-F332 HydrophobicContact CB-CZ 4.2Å; I324-F332 HydrophobicContact CD1-CD2 4.14Å; I324-F332 HydrophobicContact CD1-CE2 3.48Å; I324-F332 VanDerWaalsContact CD1-CE2 3.48Å; I324-F332 HydrophobicContact CD1-CZ 3.94Å; I324-F332 HydrophobicContact CG1-CE2 4.48Å; I324-F332 HydrophobicContact CG2-CE1 4.22Å; I324-F332 HydrophobicContact CG2-CZ 4.06Å; I324-F332 PolarHBondContact N-O 3.06Å; I324-F332 PolarHBondContact O-N 2.9Å; L326-F332 HydrophobicContact CD1-CD1 3.28Å; L326-F332 HydrophobicContact CD1-CE1 3.18Å; L326-F332 HydrophobicContact CD1-CG 4.5Å; L326-F332 HydrophobicContact CD1-CZ 4.32Å; L326-F332 HydrophobicContact CD2-CE1 4Å; L326-F332 HydrophobicContact CG-CE1 4.05Å; F332-V334 HydrophobicContact CD2-CG2 3.66Å; F332-V334 HydrophobicContact CE2-CG2 3.41Å; F332-V334 VanDerWaalsContact CE2-CG2 3.41Å; F332-I349 HydrophobicContact CE2-CG1 4.48Å; F332-I349 HydrophobicContact CZ-CB 4.42Å; F332-I349 HydrophobicContact CZ-CG1 4Å; F332-I349 HydrophobicContact CZ-CG2 4.45Å; F332-E352 HydrophobicContact CD2-CG 4.49Å; F332-E352 HydrophobicContact CE2-CB 4.18Å; F332-E352 HydrophobicContact CE2-CG 4.12Å; F332-E352 HydrophobicContact CZ-CB 4.15Å; F332-R353 HydrophobicContact CE1-CG 4.36Å
333V90.3Very high89.2Confident81 Ų8152.2 Ų52.249%0.49127%0.265SS..EExtended strand (participates in β ladder)trans-117.9126.4-176.5-179.70000108Q321 I322 Q323Q321-V333 HydrophobicContact CB-CG1 3.95Å; I322-V333 WeakPolarHBondContact O-CA 3.35Å; Q323-V333 HydrophobicContact CG-CG2 4.44Å
334V88.9Confident89.1Confident16 Ų1650.5 Ų50.510%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-106.6132.8175.6-179.40000108.2I322 I324 F332 L336 A348I322-V334 PolarHBondContact N-O 2.97Å; I322-V334 PolarHBondContact O-N 2.88Å; I324-V334 HydrophobicContact CD1-CB 4.07Å; I324-V334 HydrophobicContact CD1-CG2 3.39Å; F332-V334 HydrophobicContact CD2-CG2 3.66Å; F332-V334 HydrophobicContact CE2-CG2 3.41Å; F332-V334 VanDerWaalsContact CE2-CG2 3.41Å; V334-L336 HydrophobicContact CG1-CD1 3.95Å; V334-L336 HydrophobicContact CG1-CD2 3.91Å; V334-L336 HydrophobicContact CG1-CG 3.7Å; V334-A348 HydrophobicContact CG1-CB 3.79Å; V334-A348 HydrophobicContact CG2-CB 4.44Å
335R90.4Very high89Confident169 Ų16950.5 Ų50.564%0.63826%0.258SS*.EExtended strand (participates in β ladder)trans-92.1125.9173.7-62.4-175.2179.7-176.81.6108.8V313 V319 T320 Q321V313-R335 WeakPolarHBondContact CG2-O 3.34Å; V319-R335 HydrophobicContact CG1-CB 4.38Å; T320-R335 WeakPolarHBondContact O-CA 3.5Å; Q321-R335 HydrophobicContact CG-CG 4.37Å
336L88.4Confident88.8Confident0 Ų047.6 Ų47.60%025%0.247CC..EExtended strand (participates in β ladder)trans-143.9148.3-176.3-64.1164.4000109.7V311 T320 I322 V334 H340 I345 L379V311-L336 HydrophobicContact CB-CD2 3.87Å; V311-L336 HydrophobicContact CG1-CD2 3.59Å; V311-L336 HydrophobicContact CG2-CD2 4.19Å; T320-L336 WeakPolarHBondContact CA-O 3.44Å; T320-L336 PolarHBondContact N-O 2.6Å; T320-L336 PolarHBondContact O-N 3.24Å; T320-L336 VanDerWaalsContact O-O 3.12Å; T320-L336 PolarHBondContact OG1-O 2.74Å; I322-L336 HydrophobicContact CD1-CD1 3.82Å; V334-L336 HydrophobicContact CG1-CD1 3.95Å; V334-L336 HydrophobicContact CG1-CD2 3.91Å; V334-L336 HydrophobicContact CG1-CG 3.7Å; L336-H340 HydrophobicContact CB-CB 4.45Å; L336-I345 HydrophobicContact CD1-CG1 3.71Å; L336-L379 HydrophobicContact CB-CD1 3.86Å; L336-L379 HydrophobicContact CD1-CD1 4.22Å
337N89.7Confident88.8Confident0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-79.2155170.6-60.8-14.8000112.5V313 D314 P318 V319 F339 H340 L379V313-N337 WeakPolarHBondContact CG1-OD1 3.37Å; D314-N337 WeakPolarHBondContact CB-ND2 3.41Å; D314-N337 PolarHBondContact N-ND2 3.05Å; D314-N337 PolarHBondContact O-ND2 3.24Å; D314-N337 PolarHBondContact O-OD1 3.02Å; P318-N337 VanDerWaalsContact O-CA 3.27Å; P318-N337 WeakPolarHBondContact O-CA 3.25Å; V319-N337 WeakPolarHBondContact CG2-OD1 3.29Å; N337-F339 HydrophobicContact CB-CD1 3.64Å; N337-F339 HydrophobicContact CB-CE1 3.18Å; N337-F339 HydrophobicContact CB-CZ 3.79Å; N337-F339 WeakPolarHBondContact ND2-CE1 3.4Å; N337-F339 PolarHBondContact O-N 2.79Å; N337-H340 WeakPolarHBondContact CA-ND1 3.43Å; N337-H340 WeakPolarHBondContact CB-ND1 3.24Å; N337-H340 PolarHBondContact N-CE1 3.47Å; N337-H340 PolarHBondContact N-ND1 2.91Å; N337-H340 WeakPolarHBondContact O-CB 3.45Å; N337-H340 PolarHBondContact O-N 3.05Å; N337-H340 PolarHBondContact O-ND1 2.92Å; N337-L379 WeakPolarHBondContact O-CD1 3.36Å
338N88.1Confident88.9Confident26 Ų2652.3 Ų52.314%0.13926%0.258CS..THydrogen-bonded Turntrans-55.2-26.3-176.9-66.312.5000115.6P318 T320 E380 L385P318-N338 HydrophobicContact CG-CB 4.17Å; P318-N338 PolarHBondContact O-N 2.88Å; P318-N338 VanDerWaalsContact O-N 3.08Å; P318-N338 PolarHBondContact O-OD1 3.41Å; T320-N338 WeakPolarHBondContact CG2-OD1 3.21Å; N338-E380 PolarHBondContact O-N 3.29Å; N338-L385 HydrophobicContact CB-CD2 4.2Å
339F87.7Confident89Confident92 Ų9248.2 Ų48.240%0.40424%0.236SC..THydrogen-bonded Turntrans-86.9-5-178.864.3-91.4000113.6K317 N337K317-F339 HydrophobicContact CB-CE1 4.01Å; K317-F339 HydrophobicContact CD-CD1 3.85Å; K317-F339 HydrophobicContact CD-CE1 3.19Å; K317-F339 HydrophobicContact CD-CZ 3.92Å; K317-F339 HydrophobicContact CG-CE1 4.23Å; N337-F339 HydrophobicContact CB-CD1 3.64Å; N337-F339 HydrophobicContact CB-CE1 3.18Å; N337-F339 HydrophobicContact CB-CZ 3.79Å; N337-F339 WeakPolarHBondContact ND2-CE1 3.4Å; N337-F339 PolarHBondContact O-N 2.79Å
340H88.7Confident89.2Confident13 Ų1347.3 Ų47.36%0.0622%0.217CC..  trans-67.7153.2174.6-69.4100.7000110.7V311 L336 N337 D344 T378 L379V311-H340 WeakPolarHBondContact CG1-CD2 3.26Å; V311-H340 WeakPolarHBondContact CG1-NE2 3.38Å; L336-H340 HydrophobicContact CB-CB 4.45Å; N337-H340 WeakPolarHBondContact CA-ND1 3.43Å; N337-H340 WeakPolarHBondContact CB-ND1 3.24Å; N337-H340 PolarHBondContact N-CE1 3.47Å; N337-H340 PolarHBondContact N-ND1 2.91Å; N337-H340 WeakPolarHBondContact O-CB 3.45Å; N337-H340 PolarHBondContact O-N 3.05Å; N337-H340 PolarHBondContact O-ND1 2.92Å; H340-D344 WeakPolarHBondContact CA-OD2 3.47Å; H340-D344 HydrophobicContact CB-CB 4.09Å; H340-D344 IonicContact CD2-OD2 3.95Å; H340-D344 IonicContact CG-OD2 3.58Å; H340-T378 WeakPolarHBondContact O-CA 3.47Å; H340-L379 HydrophobicContact CB-CD1 3.93Å; H340-L379 WeakPolarHBondContact O-CG 3.09Å; H340-L379 PolarHBondContact O-N 3.45Å
341T92Very high89.1Confident36 Ų3647.6 Ų47.622%0.22122%0.218CC..BIsolated β-bridgetrans-99.5164.9-176.560.40000111.7G343 D344 I345 D375 Q377 T378T341-G343 PolarHBondContact O-N 3.42Å; T341-D344 PolarHBondContact N-OD2 3.06Å; T341-D344 WeakPolarHBondContact O-CA 3.39Å; T341-D344 VanDerWaalsContact O-CB 3.28Å; T341-D344 WeakPolarHBondContact O-CB 3.28Å; T341-D344 PolarHBondContact O-N 3.36Å; T341-D344 VanDerWaalsContact OG1-CG 3.3Å; T341-D344 PolarHBondContact OG1-N 3.03Å; T341-D344 PolarHBondContact OG1-OD2 3.21Å; T341-I345 PolarHBondContact O-N 3.43Å; T341-D375 WeakPolarHBondContact CB-O 3.45Å; T341-Q377 CarbonylContact C-O 3.58Å; T341-Q377 VanDerWaalsContact CA-O 3.24Å; T341-Q377 WeakPolarHBondContact CA-O 3.47Å; T341-T378 HydrophobicContact CG2-CG2 4.49Å
342I90.7Very high88.8Confident0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-61.3-32174.6-60.7175.2000111.1D344 I345 R346 L363 L372 Q377 L384I342-D344 VanDerWaalsContact C-N 3.29Å; I342-D344 PolarHBondContact O-N 3.33Å; I342-I345 WeakPolarHBondContact O-CB 3.5Å; I342-I345 PolarHBondContact O-N 3.23Å; I342-R346 PolarHBondContact O-N 3.36Å; I342-L363 HydrophobicContact CG2-CD1 3.89Å; I342-L372 HydrophobicContact CD1-CB 3.97Å; I342-L372 HydrophobicContact CD1-CD1 4.2Å; I342-L372 HydrophobicContact CD1-CD2 3.81Å; I342-L372 HydrophobicContact CD1-CG 4.18Å; I342-L372 HydrophobicContact CG2-CB 4.18Å; I342-Q377 HydrophobicContact CD1-CB 3.87Å; I342-Q377 HydrophobicContact CG1-CB 4.47Å; I342-Q377 PolarHBondContact N-O 3.2Å; I342-L384 HydrophobicContact CD1-CD1 3.98Å; I342-L384 HydrophobicContact CG1-CD1 4.02Å
343G89Confident88.5Confident13 Ų1346.7 Ų46.713%0.13422%0.219CC..Hα-helixtrans-60.7-34170.700000113.6T341 R346 R347 D375T341-G343 PolarHBondContact O-N 3.42Å; G343-R346 PolarHBondContact O-N 3.25Å; G343-R347 WeakPolarHBondContact O-CG 3.32Å; G343-R347 PolarHBondContact O-N 2.85Å; G343-D375 PolarHBondContact N-O 3.18Å
344D89.9Confident88.1Confident20 Ų2047.1 Ų47.111%0.10722%0.224CC..Hα-helixtrans-67.7-38.4174.2-61.2-41.3000111.7V311 H340 T341 I342 R347 A348V311-D344 HydrophobicContact CG1-CB 4.33Å; V311-D344 HydrophobicContact CG2-CB 3.85Å; V311-D344 VanDerWaalsContact CG2-O 3.32Å; V311-D344 WeakPolarHBondContact CG2-O 3.44Å; H340-D344 WeakPolarHBondContact CA-OD2 3.47Å; H340-D344 HydrophobicContact CB-CB 4.09Å; H340-D344 IonicContact CD2-OD2 3.95Å; H340-D344 IonicContact CG-OD2 3.58Å; T341-D344 PolarHBondContact N-OD2 3.06Å; T341-D344 WeakPolarHBondContact O-CA 3.39Å; T341-D344 VanDerWaalsContact O-CB 3.28Å; T341-D344 WeakPolarHBondContact O-CB 3.28Å; T341-D344 PolarHBondContact O-N 3.36Å; T341-D344 VanDerWaalsContact OG1-CG 3.3Å; T341-D344 PolarHBondContact OG1-N 3.03Å; T341-D344 PolarHBondContact OG1-OD2 3.21Å; I342-D344 VanDerWaalsContact C-N 3.29Å; I342-D344 PolarHBondContact O-N 3.33Å; D344-R347 PolarHBondContact O-N 3.15Å; D344-R347 IonicContact OD1-CZ 2.71Å; D344-R347 IonicContact OD1-NE 3.47Å; D344-R347 IonicContact OD1-NH2 3.36Å; D344-R347 PolarHBondContact OD1-NH2 2.9Å; D344-A348 WeakPolarHBondContact O-CB 3.4Å; D344-A348 PolarHBondContact O-N 3.06Å
345I89.5Confident87.7Confident0 Ų052.1 Ų52.10%025%0.25CS..Hα-helixtrans-61.8-46174.4-52.1171.7000110.2I322 I324 L336 T341 I342 R347 A348 I349 L363 L379 L389I322-I345 HydrophobicContact CD1-CD1 3.91Å; I322-I345 HydrophobicContact CD1-CG1 4.35Å; I324-I345 HydrophobicContact CD1-CG2 4.28Å; L336-I345 HydrophobicContact CD1-CG1 3.71Å; T341-I345 PolarHBondContact O-N 3.43Å; I342-I345 WeakPolarHBondContact O-CB 3.5Å; I342-I345 PolarHBondContact O-N 3.23Å; I345-R347 VanDerWaalsContact C-N 3.31Å; I345-R347 PolarHBondContact O-N 2.83Å; I345-A348 PolarHBondContact O-N 2.89Å; I345-I349 HydrophobicContact CG2-CD1 3.94Å; I345-I349 HydrophobicContact CG2-CG1 4.46Å; I345-I349 VanDerWaalsContact O-CG1 3.29Å; I345-I349 WeakPolarHBondContact O-CG1 3.36Å; I345-I349 PolarHBondContact O-N 2.91Å; I345-L363 HydrophobicContact CB-CD1 4.38Å; I345-L363 HydrophobicContact CG2-CD1 4.19Å; I345-L379 HydrophobicContact CD1-CD2 3.63Å; I345-L379 HydrophobicContact CG1-CD2 4.38Å; I345-L389 HydrophobicContact CD1-CD1 3.79Å; I345-L389 HydrophobicContact CG2-CD1 4.12Å
346R89.5Confident87.2Confident61 Ų6144.6 Ų44.623%0.2322%0.223CC..Hα-helixtrans-58.5-43.5176.9-70.6-178.2173.4-172.4-1.7111.4I342 G343 I349 V350 F361 L363 D375I342-R346 PolarHBondContact O-N 3.36Å; G343-R346 PolarHBondContact O-N 3.25Å; R346-I349 PolarHBondContact O-N 2.85Å; R346-V350 WeakPolarHBondContact O-CG2 3.37Å; R346-V350 PolarHBondContact O-N 3.17Å; R346-F361 HydrophobicContact CB-CZ 4.36Å; R346-F361 HydrophobicContact CG-CE2 4.07Å; R346-F361 HydrophobicContact CG-CZ 4.36Å; R346-L363 HydrophobicContact CG-CD1 3.68Å; R346-L363 HydrophobicContact CG-CG 4.45Å; R346-D375 IonicContact CZ-OD1 2.61Å; R346-D375 IonicContact CZ-OD2 3.42Å; R346-D375 IonicContact NE-OD1 3.54Å; R346-D375 PolarHBondContact NE-OD1 2.61Å; R346-D375 IonicContact NH1-OD1 3.76Å; R346-D375 PolarHBondContact NH1-OD1 3.49Å; R346-D375 IonicContact NH1-OD2 3.59Å; R346-D375 PolarHBondContact NH1-OD2 3.08Å; R346-D375 IonicContact NH2-OD1 3.43Å
347R88.6Confident86.8Confident159 Ų15947.7 Ų47.760%0.625%0.249SC*.Hα-helixtrans-63-44175.1-72.8-170.7-77.4-173.4-6112.5G343 D344 I345 I349 V350 S351G343-R347 WeakPolarHBondContact O-CG 3.32Å; G343-R347 PolarHBondContact O-N 2.85Å; D344-R347 PolarHBondContact O-N 3.15Å; D344-R347 IonicContact OD1-CZ 2.71Å; D344-R347 IonicContact OD1-NE 3.47Å; D344-R347 IonicContact OD1-NH2 3.36Å; D344-R347 PolarHBondContact OD1-NH2 2.9Å; I345-R347 VanDerWaalsContact C-N 3.31Å; I345-R347 PolarHBondContact O-N 2.83Å; R347-I349 VanDerWaalsContact C-N 3.3Å; R347-I349 PolarHBondContact O-N 3.1Å; R347-V350 PolarHBondContact O-N 3.24Å; R347-S351 PolarHBondContact O-N 2.97Å; R347-S351 PolarHBondContact O-OG 3.4Å
348A87.7Confident86.4Confident6 Ų653 Ų535%0.0529%0.286CS..Hα-helixtrans-62.6-36.2176.300000112.4V311 V334 D344 I345 S351 E352V311-A348 HydrophobicContact CG2-CB 4.12Å; V334-A348 HydrophobicContact CG1-CB 3.79Å; V334-A348 HydrophobicContact CG2-CB 4.44Å; D344-A348 WeakPolarHBondContact O-CB 3.4Å; D344-A348 PolarHBondContact O-N 3.06Å; I345-A348 PolarHBondContact O-N 2.89Å; A348-S351 WeakPolarHBondContact CA-OG 3.31Å; A348-S351 PolarHBondContact O-OG 3.28Å; A348-E352 WeakPolarHBondContact O-CG 3.47Å; A348-E352 PolarHBondContact O-N 3.15Å; A348-E352 VanDerWaalsContact O-N 3.17Å
349I88.2Confident86.1Confident0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-65.3-45.8174.5-71.2166000110.9I324 F332 I345 R346 R347 S351 E352 R353 L356 F361 L363 V391I324-I349 HydrophobicContact CD1-CD1 3.99Å; I324-I349 HydrophobicContact CD1-CG1 3.61Å; I324-I349 HydrophobicContact CG1-CD1 4.26Å; I324-I349 HydrophobicContact CG1-CG1 4.35Å; I324-I349 HydrophobicContact CG2-CD1 3.97Å; I324-I349 HydrophobicContact CG2-CG1 4.14Å; F332-I349 HydrophobicContact CE2-CG1 4.48Å; F332-I349 HydrophobicContact CZ-CB 4.42Å; F332-I349 HydrophobicContact CZ-CG1 4Å; F332-I349 HydrophobicContact CZ-CG2 4.45Å; I345-I349 HydrophobicContact CG2-CD1 3.94Å; I345-I349 HydrophobicContact CG2-CG1 4.46Å; I345-I349 VanDerWaalsContact O-CG1 3.29Å; I345-I349 WeakPolarHBondContact O-CG1 3.36Å; I345-I349 PolarHBondContact O-N 2.91Å; R346-I349 PolarHBondContact O-N 2.85Å; R347-I349 VanDerWaalsContact C-N 3.3Å; R347-I349 PolarHBondContact O-N 3.1Å; I349-S351 VanDerWaalsContact C-N 3.32Å; I349-S351 PolarHBondContact O-N 3.44Å; I349-E352 PolarHBondContact O-N 2.98Å; I349-R353 PolarHBondContact O-N 3.4Å; I349-L356 HydrophobicContact CG2-CD1 3.31Å; I349-F361 HydrophobicContact CB-CZ 4.46Å; I349-F361 HydrophobicContact CD1-CE2 4.29Å; I349-F361 HydrophobicContact CG2-CE2 4.43Å; I349-F361 HydrophobicContact CG2-CZ 4.07Å; I349-L363 HydrophobicContact CD1-CD2 3.65Å; I349-V391 HydrophobicContact CD1-CG2 4.09Å
350V88Confident86Confident50 Ų5059.8 Ų59.830%0.30332%0.316SS..Hα-helixtrans-65.7-34.7179.2169.30000111.8R346 R347 R353 A357 F361R346-V350 WeakPolarHBondContact O-CG2 3.37Å; R346-V350 PolarHBondContact O-N 3.17Å; R347-V350 PolarHBondContact O-N 3.24Å; V350-R353 CarbonylContact O-C 3.52Å; V350-R353 VanDerWaalsContact O-C 3.26Å; V350-A357 HydrophobicContact CG1-CB 3.73Å; V350-F361 HydrophobicContact CG2-CE1 4.26Å; V350-F361 HydrophobicContact CG2-CZ 4.36Å
351S85.1Confident86Confident38 Ų3860.3 Ų60.327%0.26632%0.318SS..Hα-helixtrans-69.3-36.6176.162.10000113.2R347 A348 I349R347-S351 PolarHBondContact O-N 2.97Å; R347-S351 PolarHBondContact O-OG 3.4Å; A348-S351 WeakPolarHBondContact CA-OG 3.31Å; A348-S351 PolarHBondContact O-OG 3.28Å; I349-S351 VanDerWaalsContact C-N 3.32Å; I349-S351 PolarHBondContact O-N 3.44Å
352E84.1Confident86Confident128 Ų12859 Ų5960%0.59831%0.312SS*.Hα-helixtrans-77.4-31.9176.7-71.1-67.5149.300112.4F332 A348 I349F332-E352 HydrophobicContact CD2-CG 4.49Å; F332-E352 HydrophobicContact CE2-CB 4.18Å; F332-E352 HydrophobicContact CE2-CG 4.12Å; F332-E352 HydrophobicContact CZ-CB 4.15Å; A348-E352 WeakPolarHBondContact O-CG 3.47Å; A348-E352 PolarHBondContact O-N 3.15Å; A348-E352 VanDerWaalsContact O-N 3.17Å; I349-E352 PolarHBondContact O-N 2.98Å
353R83.2Confident86Confident72 Ų7259 Ų5927%0.27231%0.312SS..  trans-134.186.5-176.4-72.4-76.9-173.1105.52109.8L326 D328 S330 F332 I349 V350 D355 L356L326-R353 HydrophobicContact CD2-CG 4Å; D328-R353 IonicContact OD2-CZ 2.88Å; D328-R353 IonicContact OD2-NH1 3.25Å; D328-R353 PolarHBondContact OD2-NH1 2.9Å; D328-R353 IonicContact OD2-NH2 2.96Å; D328-R353 PolarHBondContact OD2-NH2 2.84Å; S330-R353 PolarHBondContact OG-NH2 3.18Å; F332-R353 HydrophobicContact CE1-CG 4.36Å; I349-R353 PolarHBondContact O-N 3.4Å; V350-R353 CarbonylContact O-C 3.52Å; V350-R353 VanDerWaalsContact O-C 3.26Å; R353-D355 PolarHBondContact O-N 3.3Å; R353-D355 VanDerWaalsContact O-N 3.12Å; R353-L356 HydrophobicContact CB-CD1 3.85Å; R353-L356 HydrophobicContact CB-CG 3.97Å; R353-L356 HydrophobicContact CG-CD1 4.48Å; R353-L356 WeakPolarHBondContact O-CB 3.36Å; R353-L356 PolarHBondContact O-N 2.86Å
354P82.1Confident86.1Confident91 Ų9159.9 Ų59.959%0.59131%0.312SS*.G310 helixtrans-61.5-23.1179.224.3-33.7000112.7L356 A357P354-L356 PolarHBondContact O-N 2.86Å; P354-A357 WeakPolarHBondContact O-CB 3.49Å; P354-A357 PolarHBondContact O-N 3.23Å
355D81.6Confident86.2Confident120 Ų12059.7 Ų59.764%0.64231%0.312SS*.G310 helixtrans-57.2-34.2174.5-54.4-33.3000112.4R353 A357 S358R353-D355 PolarHBondContact O-N 3.3Å; R353-D355 VanDerWaalsContact O-N 3.12Å; D355-A357 VanDerWaalsContact C-N 3.29Å; D355-A357 PolarHBondContact O-N 3.3Å; D355-S358 PolarHBondContact O-OG 2.93Å
356L79.9Confident86Confident11 Ų1162.4 Ų62.46%0.05833%0.331CS..G310 helixtrans-75.1-16.8178.5-62.5178.5000112.9L326 I349 R353 P354 S358 R359 F361 F393L326-L356 HydrophobicContact CD2-CD1 3.77Å; I349-L356 HydrophobicContact CG2-CD1 3.31Å; R353-L356 HydrophobicContact CB-CD1 3.85Å; R353-L356 HydrophobicContact CB-CG 3.97Å; R353-L356 HydrophobicContact CG-CD1 4.48Å; R353-L356 WeakPolarHBondContact O-CB 3.36Å; R353-L356 PolarHBondContact O-N 2.86Å; P354-L356 PolarHBondContact O-N 2.86Å; L356-S358 PolarHBondContact O-N 3.35Å; L356-R359 PolarHBondContact O-N 3.31Å; L356-F361 HydrophobicContact CB-CD1 4.47Å; L356-F361 HydrophobicContact CB-CE1 4.24Å; L356-F393 HydrophobicContact CD2-CE1 3.37Å; L356-F393 HydrophobicContact CD2-CZ 3.47Å; L356-F393 VanDerWaalsContact CD2-CZ 3.47Å
357A79.4Confident85.6Confident66 Ų6669.8 Ų69.855%0.54536%0.36SS..G310 helixtrans-61.2-31.417700000112.1V350 P354 D355 R359V350-A357 HydrophobicContact CG1-CB 3.73Å; P354-A357 WeakPolarHBondContact O-CB 3.49Å; P354-A357 PolarHBondContact O-N 3.23Å; D355-A357 VanDerWaalsContact C-N 3.29Å; D355-A357 PolarHBondContact O-N 3.3Å; A357-R359 VanDerWaalsContact C-N 3.32Å
358S80.7Confident85.3Confident112 Ų11267 Ų6778%0.78336%0.363SS*.G310 helixtrans-80.4-11.1-177.768.90000114D355 L356D355-S358 PolarHBondContact O-OG 2.93Å; L356-S358 PolarHBondContact O-N 3.35Å
359R81.9Confident85.3Confident123 Ų12372 Ų7246%0.46439%0.393SS..SBendtrans-127.3135.2-167.9-159.5166-175.8-178.64.4111.3L356 A357 F361 F393L356-R359 PolarHBondContact O-N 3.31Å; A357-R359 VanDerWaalsContact C-N 3.32Å; R359-F361 WeakPolarHBondContact O-CD1 3.44Å; R359-F393 HydrophobicContact CB-CD1 4.34Å; R359-F393 HydrophobicContact CB-CE1 4.21Å; R359-F393 HydrophobicContact CG-CD1 3.78Å; R359-F393 HydrophobicContact CG-CE1 4.05Å; R359-F393 HydrophobicContact CG-CG 4.4Å
360L86.2Confident85.3Confident137 Ų13777.9 Ų77.972%0.71742%0.415SS*.  trans-70.9132.2175.2-68.7162.2000109.9I394L360-I394 HydrophobicContact CB-CB 4.4Å; L360-I394 PolarHBondContact O-N 3.1Å; L360-I394 VanDerWaalsContact O-N 3.13Å
361F89.6Confident85.4Confident23 Ų2380.4 Ų80.410%0.10142%0.424CS..EExtended strand (participates in β ladder)trans-139.6145.9177.463.5-93.5000111.9R346 I349 V350 L356 R359 L363 V391 R392 F393R346-F361 HydrophobicContact CB-CZ 4.36Å; R346-F361 HydrophobicContact CG-CE2 4.07Å; R346-F361 HydrophobicContact CG-CZ 4.36Å; I349-F361 HydrophobicContact CB-CZ 4.46Å; I349-F361 HydrophobicContact CD1-CE2 4.29Å; I349-F361 HydrophobicContact CG2-CE2 4.43Å; I349-F361 HydrophobicContact CG2-CZ 4.07Å; V350-F361 HydrophobicContact CG2-CE1 4.26Å; V350-F361 HydrophobicContact CG2-CZ 4.36Å; L356-F361 HydrophobicContact CB-CD1 4.47Å; L356-F361 HydrophobicContact CB-CE1 4.24Å; R359-F361 WeakPolarHBondContact O-CD1 3.44Å; F361-L363 HydrophobicContact CD2-CD2 4.34Å; F361-L363 HydrophobicContact CE2-CD2 4.2Å; F361-L363 HydrophobicContact CE2-CG 4.36Å; F361-V391 HydrophobicContact CB-CG1 3.75Å; F361-V391 HydrophobicContact CD2-CG1 3.82Å; F361-V391 HydrophobicContact CG-CG1 3.87Å; F361-R392 CarbonylContact C-O 3.25Å; F361-R392 WeakPolarHBondContact CA-O 3.48Å; F361-R392 WeakPolarHBondContact CB-O 3.4Å; F361-F393 HydrophobicContact CB-CD1 4.16Å
362A90.6Very high85.5Confident10 Ų1078.7 Ų78.78%0.08341%0.412CS..EExtended strand (participates in β ladder)trans-97.1147.9169.200000110.2R392 I394A362-R392 PolarHBondContact N-O 3.11Å; A362-R392 PolarHBondContact O-N 2.65Å; A362-I394 HydrophobicContact CB-CD1 4.09Å; A362-I394 HydrophobicContact CB-CG1 4.17Å
363L91.2Very high85.5Confident0 Ų078 Ų780%041%0.412CS..EExtended strand (participates in β ladder)trans-100.7130.3170.2-67.7175000109I342 I345 R346 I349 F361 L372 V391I342-L363 HydrophobicContact CG2-CD1 3.89Å; I345-L363 HydrophobicContact CB-CD1 4.38Å; I345-L363 HydrophobicContact CG2-CD1 4.19Å; R346-L363 HydrophobicContact CG-CD1 3.68Å; R346-L363 HydrophobicContact CG-CG 4.45Å; I349-L363 HydrophobicContact CD1-CD2 3.65Å; F361-L363 HydrophobicContact CD2-CD2 4.34Å; F361-L363 HydrophobicContact CE2-CD2 4.2Å; F361-L363 HydrophobicContact CE2-CG 4.36Å; L363-L372 HydrophobicContact CB-CB 4.1Å; L363-L372 HydrophobicContact CB-CD1 4.23Å; L363-L372 WeakPolarHBondContact O-CB 3.19Å; L363-L372 PolarHBondContact O-N 2.94Å; L363-V391 HydrophobicContact CD2-CG2 3.87Å
364M91.7Very high85.7Confident30 Ų3080.4 Ų80.415%0.14843%0.426CS..EExtended strand (participates in β ladder)trans-129143.2-179.2-56.6-176.867.600110.8R370 E371 L389 I390 R392M364-R370 WeakPolarHBondContact CA-O 3.43Å; M364-E371 HydrophobicContact CE-CG 3.87Å; M364-E371 HydrophobicContact CG-CG 4.11Å; M364-E371 HydrophobicContact SD-CG 4.41Å; M364-L389 CarbonylContact O-C 3.53Å; M364-L389 WeakPolarHBondContact O-CA 3.24Å; M364-I390 HydrophobicContact CB-CB 4.48Å; M364-I390 PolarHBondContact N-O 3.17Å; M364-I390 PolarHBondContact O-N 3.13Å; M364-R392 HydrophobicContact SD-CB 4.17Å
365T91.1Very high85.8Confident17 Ų1779.3 Ų79.310%0.10442%0.416CS..EExtended strand (participates in β ladder)trans-79.2151167.7530000110.8P368 T369 R370 L384 L389T365-P368 WeakPolarHBondContact CB-O 3.31Å; T365-P368 PolarHBondContact OG1-O 3.44Å; T365-T369 WeakPolarHBondContact O-CA 3.39Å; T365-R370 PolarHBondContact N-O 3.21Å; T365-R370 WeakPolarHBondContact OG1-CB 3.39Å; T365-R370 PolarHBondContact OG1-N 3.46Å; T365-R370 PolarHBondContact OG1-O 3.29Å; T365-L384 HydrophobicContact CG2-CD2 3.56Å; T365-L389 HydrophobicContact CG2-CD2 3.84Å
366S85Confident86Confident57 Ų5779.2 Ų79.240%0.39942%0.42SS..SBendtrans-78.7-42.4-178.5580000113.8T369 S388S366-T369 WeakPolarHBondContact O-CG2 3.38Å; S366-S388 PolarHBondContact N-O 2.89Å
367Y81.8Confident86.4Confident215 Ų21579.7 Ų79.784%0.84342%0.421SS*.SBendtrans-157.3119.2179.2-164.8-92.9000110.7
368P82.8Confident86.9Confident102 Ų10278.9 Ų78.966%0.66241%0.41SS*.SBendcis-65.2151.7-9.929.8-34.6000111.2T365 R370T365-P368 WeakPolarHBondContact CB-O 3.31Å; T365-P368 PolarHBondContact OG1-O 3.44Å; P368-R370 PolarHBondContact O-N 2.74Å
369T86.3Confident87.2Confident111 Ų11173.6 Ų73.668%0.68137%0.373SS*.  trans-75108.9179.941.60000110.6T365 S366T365-T369 WeakPolarHBondContact O-CA 3.39Å; S366-T369 WeakPolarHBondContact O-CG2 3.38Å
370R89Confident87.4Confident123 Ų12373.7 Ų73.746%0.46438%0.379SS..  trans-129.5130.9178.3-176.6-178.8177.1-170.3-1.4109M364 T365 P368M364-R370 WeakPolarHBondContact CA-O 3.43Å; T365-R370 PolarHBondContact N-O 3.21Å; T365-R370 WeakPolarHBondContact OG1-CB 3.39Å; T365-R370 PolarHBondContact OG1-N 3.46Å; T365-R370 PolarHBondContact OG1-O 3.29Å; P368-R370 PolarHBondContact O-N 2.74Å
371E89.5Confident87.5Confident102 Ų10272.5 Ų72.548%0.47737%0.373SS..EExtended strand (participates in β ladder)trans-81.6127.4172.3-66-173.4168.600110M364 N373M364-E371 HydrophobicContact CE-CG 3.87Å; M364-E371 HydrophobicContact CG-CG 4.11Å; M364-E371 HydrophobicContact SD-CG 4.41Å; E371-N373 PolarHBondContact O-N 2.95Å
372L87.8Confident87.1Confident3 Ų371.7 Ų71.72%0.01637%0.371CS..EExtended strand (participates in β ladder)trans-93.186-179.8-65.7177.8000109.4I342 L363 L384 L389I342-L372 HydrophobicContact CD1-CB 3.97Å; I342-L372 HydrophobicContact CD1-CD1 4.2Å; I342-L372 HydrophobicContact CD1-CD2 3.81Å; I342-L372 HydrophobicContact CD1-CG 4.18Å; I342-L372 HydrophobicContact CG2-CB 4.18Å; L363-L372 HydrophobicContact CB-CB 4.1Å; L363-L372 HydrophobicContact CB-CD1 4.23Å; L363-L372 WeakPolarHBondContact O-CB 3.19Å; L363-L372 PolarHBondContact O-N 2.94Å; L372-L384 HydrophobicContact CD1-CD1 3.55Å; L372-L384 HydrophobicContact CD1-CD2 4.1Å; L372-L384 HydrophobicContact CD1-CG 4.49Å; L372-L384 HydrophobicContact CD2-CD1 3.98Å; L372-L384 HydrophobicContact CD2-CD2 4.23Å; L372-L384 HydrophobicContact CG-CD1 4.42Å; L372-L389 HydrophobicContact CD1-CD1 4.16Å; L372-L389 HydrophobicContact CD1-CD2 3.59Å
373N84.4Confident86.9Confident112 Ų11277.7 Ų77.760%0.59940%0.401SS*.  trans-89.7-23-176.8-67.2-33000113.5E371E371-N373 PolarHBondContact O-N 2.95Å
374E86.5Confident86.7Confident124 Ų12477.8 Ų77.858%0.57940%0.402SS*.  trans-93.6103.4-175.4-65-169.3-173.200111.8T376 Q377E374-T376 PolarHBondContact O-N 2.89Å; E374-T376 VanDerWaalsContact O-N 3.15Å; E374-Q377 HydrophobicContact CB-CB 4.32Å; E374-Q377 PolarHBondContact O-N 2.81Å
375D84Confident86.5Confident68 Ų6879.1 Ų79.136%0.36441%0.409SS..THydrogen-bonded Turntrans-65.4-17.2-179.3-73.5-4.6000113.6T341 G343 R346T341-D375 WeakPolarHBondContact CB-O 3.45Å; G343-D375 PolarHBondContact N-O 3.18Å; R346-D375 IonicContact CZ-OD1 2.61Å; R346-D375 IonicContact CZ-OD2 3.42Å; R346-D375 IonicContact NE-OD1 3.54Å; R346-D375 PolarHBondContact NE-OD1 2.61Å; R346-D375 IonicContact NH1-OD1 3.76Å; R346-D375 PolarHBondContact NH1-OD1 3.49Å; R346-D375 IonicContact NH1-OD2 3.59Å; R346-D375 PolarHBondContact NH1-OD2 3.08Å; R346-D375 IonicContact NH2-OD1 3.43Å
376T87.6Confident86.3Confident118 Ų11883.8 Ų83.872%0.72443%0.434SS*.THydrogen-bonded Turntrans-90-10.4-179.152.40000114.4E374E374-T376 PolarHBondContact O-N 2.89Å; E374-T376 VanDerWaalsContact O-N 3.15Å
377Q87.4Confident86.5Confident20 Ų2082.3 Ų82.39%0.09342%0.423CS..  trans-70.1134.8-178.5-169.9170.430.700110.3T341 I342 E374 D381T341-Q377 CarbonylContact C-O 3.58Å; T341-Q377 VanDerWaalsContact CA-O 3.24Å; T341-Q377 WeakPolarHBondContact CA-O 3.47Å; I342-Q377 HydrophobicContact CD1-CB 3.87Å; I342-Q377 HydrophobicContact CG1-CB 4.47Å; I342-Q377 PolarHBondContact N-O 3.2Å; E374-Q377 HydrophobicContact CB-CB 4.32Å; E374-Q377 PolarHBondContact O-N 2.81Å; Q377-D381 HydrophobicContact CG-CB 4.18Å; Q377-D381 WeakPolarHBondContact CG-OD2 3.17Å; Q377-D381 PolarHBondContact NE2-O 2.95Å; Q377-D381 PolarHBondContact NE2-OD2 3.34Å
378T89.2Confident87Confident50 Ų5072.9 Ų72.931%0.30739%0.389SS..BIsolated β-bridgetrans-78.6157.1176.3610000111H340 T341 E380 D381 G382H340-T378 WeakPolarHBondContact O-CA 3.47Å; T341-T378 HydrophobicContact CG2-CG2 4.49Å; T378-E380 PolarHBondContact O-N 3.29Å; T378-D381 PolarHBondContact O-N 3.31Å; T378-D381 VanDerWaalsContact OG1-CB 3.31Å; T378-D381 WeakPolarHBondContact OG1-CB 3.47Å; T378-D381 PolarHBondContact OG1-N 2.99Å; T378-G382 PolarHBondContact O-N 2.94Å
379L87.4Confident87.4Confident0 Ų068 Ų680%036%0.357CS..THydrogen-bonded Turntrans-59.5-35.3178.4-72.3164.6000113.3I322 L336 N337 H340 I345 D383 L384 L385I322-L379 HydrophobicContact CD1-CD1 4.11Å; I322-L379 HydrophobicContact CD1-CD2 3.19Å; I322-L379 HydrophobicContact CD1-CG 4.28Å; I322-L379 HydrophobicContact CG1-CD2 4.49Å; L336-L379 HydrophobicContact CB-CD1 3.86Å; L336-L379 HydrophobicContact CD1-CD1 4.22Å; N337-L379 WeakPolarHBondContact O-CD1 3.36Å; H340-L379 HydrophobicContact CB-CD1 3.93Å; H340-L379 WeakPolarHBondContact O-CG 3.09Å; H340-L379 PolarHBondContact O-N 3.45Å; I345-L379 HydrophobicContact CD1-CD2 3.63Å; I345-L379 HydrophobicContact CG1-CD2 4.38Å; L379-D383 PolarHBondContact O-N 3.01Å; L379-L384 HydrophobicContact CD2-CB 3.75Å; L379-L384 HydrophobicContact CD2-CD1 4.26Å; L379-L384 PolarHBondContact O-N 2.86Å; L379-L385 HydrophobicContact CB-CD2 4.12Å
380E87.4Confident87.7Confident126 Ų12665.8 Ų65.859%0.58934%0.34SS*.THydrogen-bonded Turntrans-71.3-43.5177.5-173.1170.1-161.400112.1N338 T378 G382 D383 L385N338-E380 PolarHBondContact O-N 3.29Å; T378-E380 PolarHBondContact O-N 3.29Å; E380-G382 VanDerWaalsContact C-N 3.3Å; E380-G382 PolarHBondContact O-N 3.04Å; E380-D383 PolarHBondContact O-N 2.91Å; E380-L385 HydrophobicContact CB-CD2 4.43Å
381D87.5Confident87.8Confident112 Ų11260 Ų6060%0.59932%0.319SS*.THydrogen-bonded Turntrans-70.7-28.5178.4-172.862.8000112.5Q377 T378 D383Q377-D381 HydrophobicContact CG-CB 4.18Å; Q377-D381 WeakPolarHBondContact CG-OD2 3.17Å; Q377-D381 PolarHBondContact NE2-O 2.95Å; Q377-D381 PolarHBondContact NE2-OD2 3.34Å; T378-D381 PolarHBondContact O-N 3.31Å; T378-D381 VanDerWaalsContact OG1-CB 3.31Å; T378-D381 WeakPolarHBondContact OG1-CB 3.47Å; T378-D381 PolarHBondContact OG1-N 2.99Å; D381-D383 VanDerWaalsContact C-N 3.32Å
382G81.5Confident87.8Confident5 Ų562.2 Ų62.25%0.05232%0.323CS..THydrogen-bonded Turntrans-79.9-5.3175.900000115.3T378 E380 L384T378-G382 PolarHBondContact O-N 2.94Å; E380-G382 VanDerWaalsContact C-N 3.3Å; E380-G382 PolarHBondContact O-N 3.04Å; G382-L384 WeakPolarHBondContact O-CG 3.27Å; G382-L384 PolarHBondContact O-N 2.71Å
383D86.4Confident87.8Confident136 Ų13664.4 Ų64.473%0.72733%0.332SS*.THydrogen-bonded Turntrans51.340.3-167.7-163.528.2000112.4L379 E380 D381L379-D383 PolarHBondContact O-N 3.01Å; E380-D383 PolarHBondContact O-N 2.91Å; D381-D383 VanDerWaalsContact C-N 3.32Å
384L86.6Confident87.7Confident2 Ų267 Ų671%0.0135%0.345CS..  trans-98.77.9-175.6-59.9-179.2000113I342 T365 L372 L379 G382 N386 S387 L389I342-L384 HydrophobicContact CD1-CD1 3.98Å; I342-L384 HydrophobicContact CG1-CD1 4.02Å; T365-L384 HydrophobicContact CG2-CD2 3.56Å; L372-L384 HydrophobicContact CD1-CD1 3.55Å; L372-L384 HydrophobicContact CD1-CD2 4.1Å; L372-L384 HydrophobicContact CD1-CG 4.49Å; L372-L384 HydrophobicContact CD2-CD1 3.98Å; L372-L384 HydrophobicContact CD2-CD2 4.23Å; L372-L384 HydrophobicContact CG-CD1 4.42Å; L379-L384 HydrophobicContact CD2-CB 3.75Å; L379-L384 HydrophobicContact CD2-CD1 4.26Å; L379-L384 PolarHBondContact O-N 2.86Å; G382-L384 WeakPolarHBondContact O-CG 3.27Å; G382-L384 PolarHBondContact O-N 2.71Å; L384-N386 PolarHBondContact O-N 2.96Å; L384-S387 VanDerWaalsContact C-OG 3.32Å; L384-S387 WeakPolarHBondContact CA-OG 3.49Å; L384-S387 WeakPolarHBondContact O-CB 3.41Å; L384-S387 PolarHBondContact O-N 3.06Å; L384-S387 PolarHBondContact O-OG 3.41Å; L384-L389 HydrophobicContact CD2-CD2 4.15Å
385L86.6Confident87.7Confident59 Ų5964.2 Ų64.231%0.30933%0.333SS..THydrogen-bonded Turntrans-65.2121.2-178.8-51.6177.1000109.9T320 N338 L379 E380 S387T320-L385 HydrophobicContact CG2-CB 4.04Å; T320-L385 HydrophobicContact CG2-CD2 3.7Å; T320-L385 HydrophobicContact CG2-CG 4.42Å; N338-L385 HydrophobicContact CB-CD2 4.2Å; L379-L385 HydrophobicContact CB-CD2 4.12Å; E380-L385 HydrophobicContact CB-CD2 4.43Å; L385-S387 PolarHBondContact O-N 3.44Å
386N88.6Confident87.9Confident115 Ų11564 Ų6462%0.61533%0.331SS*.THydrogen-bonded Turntrans55.827.1-176-61.3-32.7000115Q321 L384Q321-N386 PolarHBondContact N-OD1 2.67Å; Q321-N386 VanDerWaalsContact O-CA 3.31Å; Q321-N386 WeakPolarHBondContact O-CA 3.48Å; L384-N386 PolarHBondContact O-N 2.96Å
387S89Confident88Confident25 Ų2561 Ų6118%0.17531%0.31CS..  trans-86.8165.7-179.470.80000112.9Q323 L384 L385Q323-S387 PolarHBondContact N-O 3.08Å; Q323-S387 VanDerWaalsContact N-O 3.15Å; L384-S387 VanDerWaalsContact C-OG 3.32Å; L384-S387 WeakPolarHBondContact CA-OG 3.49Å; L384-S387 WeakPolarHBondContact O-CB 3.41Å; L384-S387 PolarHBondContact O-N 3.06Å; L384-S387 PolarHBondContact O-OG 3.41Å; L385-S387 PolarHBondContact O-N 3.44Å
388S91Very high88Confident18 Ų1863.4 Ų63.413%0.12632%0.322CS..EExtended strand (participates in β ladder)trans-107.4125.1170.1-172.40000110.5Q323 S366Q323-S388 CarbonylContact O-C 3.58Å; Q323-S388 VanDerWaalsContact O-CA 3.26Å; Q323-S388 WeakPolarHBondContact O-CA 3.47Å; Q323-S388 PolarHBondContact O-OG 3.42Å; Q323-S388 VanDerWaalsContact O-OG 3.1Å; S366-S388 PolarHBondContact N-O 2.89Å
389L92.1Very high87.9Confident0 Ų064.3 Ų64.30%032%0.323CS..EExtended strand (participates in β ladder)trans-104.4144.6176.9-59.2-177.2000110.5I322 Q323 I324 R325 I345 M364 T365 L372 L384I322-L389 HydrophobicContact CG2-CB 4.41Å; I322-L389 HydrophobicContact CG2-CD1 3.78Å; I322-L389 HydrophobicContact CG2-CG 3.76Å; Q323-L389 PolarHBondContact O-N 3.03Å; I324-L389 CarbonylContact C-O 3.5Å; I324-L389 WeakPolarHBondContact CA-O 3.36Å; R325-L389 PolarHBondContact N-O 3.18Å; I345-L389 HydrophobicContact CD1-CD1 3.79Å; I345-L389 HydrophobicContact CG2-CD1 4.12Å; M364-L389 CarbonylContact O-C 3.53Å; M364-L389 WeakPolarHBondContact O-CA 3.24Å; T365-L389 HydrophobicContact CG2-CD2 3.84Å; L372-L389 HydrophobicContact CD1-CD1 4.16Å; L372-L389 HydrophobicContact CD1-CD2 3.59Å; L384-L389 HydrophobicContact CD2-CD2 4.15Å
390I93Very high88Confident63 Ų6368.5 Ų68.532%0.32335%0.345SS..EExtended strand (participates in β ladder)trans-112.6127.3177.1-57.8171.4000107.4R325 M364R325-I390 HydrophobicContact CB-CG1 4.36Å; M364-I390 HydrophobicContact CB-CB 4.48Å; M364-I390 PolarHBondContact N-O 3.17Å; M364-I390 PolarHBondContact O-N 3.13Å
391V91.3Very high88Confident2 Ų264.4 Ų64.41%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-86.9123.1172.1178.10000108.1I324 R325 P327 I349 F361 L363I324-V391 HydrophobicContact CG2-CG2 3.61Å; R325-V391 PolarHBondContact O-N 3.23Å; P327-V391 WeakPolarHBondContact CD-O 3.46Å; I349-V391 HydrophobicContact CD1-CG2 4.09Å; F361-V391 HydrophobicContact CB-CG1 3.75Å; F361-V391 HydrophobicContact CD2-CG1 3.82Å; F361-V391 HydrophobicContact CG-CG1 3.87Å; L363-V391 HydrophobicContact CD2-CG2 3.87Å
392R89.4Confident88Confident148 Ų14860.8 Ų60.856%0.55831%0.306SS*.EExtended strand (participates in β ladder)trans-119.6126.4175.5-179.2178.5178.2164.11.1109.4F361 A362 M364F361-R392 CarbonylContact C-O 3.25Å; F361-R392 WeakPolarHBondContact CA-O 3.48Å; F361-R392 WeakPolarHBondContact CB-O 3.4Å; A362-R392 PolarHBondContact N-O 3.11Å; A362-R392 PolarHBondContact O-N 2.65Å; M364-R392 HydrophobicContact SD-CB 4.17Å
393F87.3Confident88.6Confident49 Ų4965.4 Ų65.422%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-69.1137.9171.7-64.2-49.8000110.8P327 L356 R359 F361P327-F393 HydrophobicContact CB-CD2 3.92Å; P327-F393 HydrophobicContact CB-CE2 3.75Å; P327-F393 HydrophobicContact CB-CZ 4.47Å; P327-F393 HydrophobicContact CG-CD1 4.49Å; P327-F393 HydrophobicContact CG-CD2 3.58Å; P327-F393 HydrophobicContact CG-CE1 4.07Å; P327-F393 HydrophobicContact CG-CE2 3.07Å; P327-F393 HydrophobicContact CG-CG 4.27Å; P327-F393 HydrophobicContact CG-CZ 3.35Å; L356-F393 HydrophobicContact CD2-CE1 3.37Å; L356-F393 HydrophobicContact CD2-CZ 3.47Å; L356-F393 VanDerWaalsContact CD2-CZ 3.47Å; R359-F393 HydrophobicContact CB-CD1 4.34Å; R359-F393 HydrophobicContact CB-CE1 4.21Å; R359-F393 HydrophobicContact CG-CD1 3.78Å; R359-F393 HydrophobicContact CG-CE1 4.05Å; R359-F393 HydrophobicContact CG-CG 4.4Å; F361-F393 HydrophobicContact CB-CD1 4.16Å
394I81.8Confident88.8Confident168 Ų16859 Ų5986%0.86229%0.291SS*.  trans-91.40174.8-57.8171000109.3L360 A362L360-I394 HydrophobicContact CB-CB 4.4Å; L360-I394 PolarHBondContact O-N 3.1Å; L360-I394 VanDerWaalsContact O-N 3.13Å; A362-I394 HydrophobicContact CB-CD1 4.09Å; A362-I394 HydrophobicContact CB-CG1 4.17Å

Retrieved 394 of 394 residues in 403.6 ms (Link to these results)

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