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Eukaryotic translation initiation factor 3 subunit G

RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. This subunit can bind 18S rRNA.

AlphaFold DB , UniProt , Accession A0A077YYF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M29.9Very low58.9Low245 Ų245122.5 Ų122.5100%1.20762%0.623SS**  0101.90-92.6168.6160.200108.2
2V35.6Very low60.4Low130 Ų130112.8 Ų112.879%0.78858%0.575SS**  trans-76.7132.2168-179.60000106.1L4V2-L4 PolarHBondContact O-N 3.16Å
3P42.3Very low61.9Low102 Ų102110.8 Ų110.866%0.66257%0.567SS**  trans-57.7133-177.922.2-32.5000110.6R5P3-R5 PolarHBondContact O-N 3.04Å
4L43Very low63.4Low147 Ų147112.4 Ų112.477%0.7757%0.571SS**  trans-57104174.2-70.3166.5000108.3V2 I6V2-L4 PolarHBondContact O-N 3.16Å; L4-I6 PolarHBondContact O-N 3.24Å
5R58.7Low64.4Low148 Ų148107.2 Ų107.256%0.55855%0.545SS*.  trans-80.7112.7175.2-70.6-172.4179.5-170.9-1.9108.1P3 T75 F76P3-R5 PolarHBondContact O-N 3.04Å; R5-T75 PolarHBondContact O-OG1 3.39Å; R5-F76 HydrophobicContact CB-CE1 4.39Å
6I66Low65.3Low131 Ų131100.8 Ų100.867%0.67251%0.513SS*.  trans-63.2141167.2-60.8167.7000107.3L4 D8L4-I6 PolarHBondContact O-N 3.24Å; I6-D8 PolarHBondContact O-N 3.22Å
7Y68.7Low66.2Low21 Ų21100.1 Ų100.18%0.08251%0.509CS..  trans-72.2116.6177175.7-99.9000108.9P9 A12 V43 E45 E52 F76Y7-P9 HydrophobicContact CE1-CB 4.19Å; Y7-A12 HydrophobicContact CE2-CB 3.95Å; Y7-V43 HydrophobicContact CD2-CG1 4.37Å; Y7-V43 HydrophobicContact CE2-CG1 4.16Å; Y7-E45 HydrophobicContact CD1-CB 3.75Å; Y7-E45 HydrophobicContact CD1-CG 3.86Å; Y7-E45 HydrophobicContact CE1-CB 3.74Å; Y7-E45 HydrophobicContact CE1-CG 4.31Å; Y7-E45 HydrophobicContact CG-CB 4.29Å; Y7-E45 HydrophobicContact CG-CG 4.38Å; Y7-E52 PolarHBondContact OH-O 3.18Å; Y7-F76 HydrophobicContact CD2-CB 3.85Å; Y7-F76 HydrophobicContact CG-CB 4.4Å
8D73.1Confident67.2Low64 Ų6497.9 Ų97.934%0.34250%0.504SS..  trans-106.8117.8171.4-77.9-17.3000107.6I6 E10 K11 A12I6-D8 PolarHBondContact O-N 3.22Å; D8-E10 VanDerWaalsContact C-N 3.32Å; D8-E10 PolarHBondContact O-N 3.46Å; D8-K11 HydrophobicContact CB-CB 4.06Å; D8-K11 HydrophobicContact CB-CD 4.15Å; D8-K11 HydrophobicContact CB-CG 4.17Å; D8-K11 PolarHBondContact O-N 3.11Å; D8-K11 VanDerWaalsContact O-N 3.12Å; D8-K11 IonicContact OD2-NZ 3.43Å; D8-K11 PolarHBondContact OD2-NZ 2.99Å; D8-A12 PolarHBondContact O-N 3.33Å; D8-A12 VanDerWaalsContact O-N 3.13Å
9P73.4Confident67.9Low70 Ų7095.3 Ų95.346%0.45549%0.493SS..G310 helixtrans-61.4-39.4-177.522.7-32.3000112.2Y7 K11 A12Y7-P9 HydrophobicContact CE1-CB 4.19Å; P9-K11 PolarHBondContact O-N 2.95Å; P9-A12 WeakPolarHBondContact O-CB 3.18Å; P9-A12 PolarHBondContact O-N 3.36Å; P9-A12 VanDerWaalsContact O-N 3.17Å
10E79Confident68.6Low185 Ų18591.9 Ų91.986%0.86448%0.477SS*.G310 helixtrans-63.6-24.7178-62.4-175165.700113.3D8D8-E10 VanDerWaalsContact C-N 3.32Å; D8-E10 PolarHBondContact O-N 3.46Å
11K78.7Confident69.2Low104 Ų10494.9 Ų94.945%0.45248%0.482SS..G310 helixtrans-104.32.5-179.4-58.6178.8-168.1143.70112.8D8 P9 D13 E14 L15D8-K11 HydrophobicContact CB-CB 4.06Å; D8-K11 HydrophobicContact CB-CD 4.15Å; D8-K11 HydrophobicContact CB-CG 4.17Å; D8-K11 PolarHBondContact O-N 3.11Å; D8-K11 VanDerWaalsContact O-N 3.12Å; D8-K11 IonicContact OD2-NZ 3.43Å; D8-K11 PolarHBondContact OD2-NZ 2.99Å; P9-K11 PolarHBondContact O-N 2.95Å; K11-D13 VanDerWaalsContact C-N 3.28Å; K11-D13 PolarHBondContact O-N 3.4Å; K11-E14 PolarHBondContact O-N 3.25Å; K11-L15 WeakPolarHBondContact O-CB 3.47Å; K11-L15 WeakPolarHBondContact O-CG 3.43Å; K11-L15 PolarHBondContact O-N 3.16Å
12A76.6Confident71.6Confident6 Ų685.7 Ų85.75%0.0545%0.445CS..Hα-helixtrans-60.9-39.3-177.500000111.6Y7 D8 P9 L15 A16Y7-A12 HydrophobicContact CE2-CB 3.95Å; D8-A12 PolarHBondContact O-N 3.33Å; D8-A12 VanDerWaalsContact O-N 3.13Å; P9-A12 WeakPolarHBondContact O-CB 3.18Å; P9-A12 PolarHBondContact O-N 3.36Å; P9-A12 VanDerWaalsContact O-N 3.17Å; A12-L15 PolarHBondContact O-N 3.46Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.45Å
13D79.3Confident73.7Confident87 Ų8781.3 Ų81.347%0.46542%0.418SS..Hα-helixtrans-67.3-43.8177.2-171.949.5000112.2K11 L15 A16 M17K11-D13 VanDerWaalsContact C-N 3.28Å; K11-D13 PolarHBondContact O-N 3.4Å; D13-L15 VanDerWaalsContact C-N 3.3Å; D13-L15 PolarHBondContact O-N 3.42Å; D13-A16 PolarHBondContact O-N 2.84Å; D13-M17 WeakPolarHBondContact O-CB 3.14Å; D13-M17 WeakPolarHBondContact O-CG 3.42Å; D13-M17 PolarHBondContact O-N 3.33Å
14E82.9Confident75.3Confident133 Ų13383.2 Ų83.262%0.62141%0.412SS*.Hα-helixtrans-61.7-40.1176.1-64.2-170.7163.100112.1K11 S18K11-E14 PolarHBondContact O-N 3.25Å; E14-S18 VanDerWaalsContact O-CB 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.14Å; E14-S18 PolarHBondContact O-N 3.38Å
15L78.8Confident77.1Confident35 Ų3582.6 Ų82.618%0.18340%0.404CS..Hα-helixtrans-63.9-48.8174.3-74.1170.3000111K11 A12 D13 M17 S18 V19K11-L15 WeakPolarHBondContact O-CB 3.47Å; K11-L15 WeakPolarHBondContact O-CG 3.43Å; K11-L15 PolarHBondContact O-N 3.16Å; A12-L15 PolarHBondContact O-N 3.46Å; D13-L15 VanDerWaalsContact C-N 3.3Å; D13-L15 PolarHBondContact O-N 3.42Å; L15-M17 PolarHBondContact O-N 3.24Å; L15-S18 WeakPolarHBondContact O-CB 3.37Å; L15-S18 PolarHBondContact O-N 2.64Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 2.97Å
16A79.2Confident78.1Confident5 Ų584.8 Ų84.84%0.04141%0.412CS..Hα-helixtrans-58.2-48.3177.900000110.9A12 D13 S18 V19 V20 V43A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.45Å; D13-A16 PolarHBondContact O-N 2.84Å; A16-S18 PolarHBondContact O-N 3.01Å; A16-V19 PolarHBondContact O-N 2.8Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.33Å; A16-V20 PolarHBondContact O-N 3.17Å; A16-V43 HydrophobicContact CB-CG2 4.06Å
17M80.7Confident78.4Confident88 Ų8880.4 Ų80.443%0.43339%0.389SS..Hα-helixtrans-60.3-41.8175.8-78.9-165.6138.100113D13 L15 V20 R21D13-M17 WeakPolarHBondContact O-CB 3.14Å; D13-M17 WeakPolarHBondContact O-CG 3.42Å; D13-M17 PolarHBondContact O-N 3.33Å; L15-M17 PolarHBondContact O-N 3.24Å; M17-V20 PolarHBondContact O-N 3.25Å; M17-R21 VanDerWaalsContact O-CG 3.32Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 3.36Å; M17-R21 PolarHBondContact SD-NH2 3.24Å; M17-R21 VanDerWaalsContact SD-NH2 3.41Å
18S83.5Confident78.6Confident61 Ų6185.7 Ų85.743%0.42741%0.413SS..Hα-helixtrans-61.6-44.5178.1-177.10000111.5E14 L15 A16 R21 A22E14-S18 VanDerWaalsContact O-CB 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.14Å; E14-S18 PolarHBondContact O-N 3.38Å; L15-S18 WeakPolarHBondContact O-CB 3.37Å; L15-S18 PolarHBondContact O-N 2.64Å; A16-S18 PolarHBondContact O-N 3.01Å; S18-R21 PolarHBondContact O-N 3.07Å; S18-A22 WeakPolarHBondContact O-CB 3.27Å; S18-A22 PolarHBondContact O-N 3.14Å
19V81.7Confident78.7Confident48 Ų4889 Ų8929%0.29143%0.426SS..Hα-helixtrans-62.3-47.7175.2174.30000110.6L15 A16 R21 A22 V23 V80L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 2.97Å; A16-V19 PolarHBondContact O-N 2.8Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.75Å; V19-A22 PolarHBondContact O-N 2.95Å; V19-V23 HydrophobicContact CG1-CG2 4.24Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.35Å; V19-V80 HydrophobicContact CG1-CG2 3.76Å
20V80.3Confident78.4Confident28 Ų2887.9 Ų87.917%0.1742%0.42CS..Hα-helixtrans-57.3-45.2177.1171.50000111.3A16 M17 V23 R24 V39 C41A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.33Å; A16-V20 PolarHBondContact O-N 3.17Å; M17-V20 PolarHBondContact O-N 3.25Å; V20-V23 PolarHBondContact O-N 3.11Å; V20-R24 VanDerWaalsContact O-CB 3.23Å; V20-R24 WeakPolarHBondContact O-CB 3.42Å; V20-R24 PolarHBondContact O-N 2.97Å; V20-V39 HydrophobicContact CG1-CB 4.31Å; V20-V39 HydrophobicContact CG1-CG1 4.41Å; V20-V39 HydrophobicContact CG2-CG1 4.42Å; V20-C41 HydrophobicContact CG2-CB 3.33Å
21R81Confident77.3Confident154 Ų15486 Ų8658%0.58142%0.421SS*.Hα-helixtrans-63.2-42.7178.1-72.2-178.1-152.5120.71.8112M17 S18 V19 K25M17-R21 VanDerWaalsContact O-CG 3.32Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 3.36Å; M17-R21 PolarHBondContact SD-NH2 3.24Å; M17-R21 VanDerWaalsContact SD-NH2 3.41Å; S18-R21 PolarHBondContact O-N 3.07Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.75Å; R21-K25 WeakPolarHBondContact O-CB 3.4Å; R21-K25 PolarHBondContact O-N 3.18Å
22A81.9Confident76.4Confident52 Ų5284.1 Ų84.143%0.4342%0.415SS..Hα-helixtrans-64.6-45.9178.800000111.9S18 V19 K25 R26S18-A22 WeakPolarHBondContact O-CB 3.27Å; S18-A22 PolarHBondContact O-N 3.14Å; V19-A22 PolarHBondContact O-N 2.95Å; A22-K25 PolarHBondContact O-N 2.88Å; A22-R26 PolarHBondContact O-N 3.45Å; A22-R26 VanDerWaalsContact O-N 3.1Å
23V79Confident75.5Confident39 Ų3992.6 Ų92.624%0.23645%0.451CS..Hα-helixtrans-63.1-46.5177.1173.60000110.4V19 V20 K25 R26 L27 V39 V80V19-V23 HydrophobicContact CG1-CG2 4.24Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.35Å; V20-V23 PolarHBondContact O-N 3.11Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 2.85Å; V23-R26 PolarHBondContact O-N 3.43Å; V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.81Å; V23-V39 HydrophobicContact CB-CG1 4.15Å; V23-V39 HydrophobicContact CG1-CG1 3.8Å; V23-V39 HydrophobicContact CG1-CG2 4.1Å; V23-V80 HydrophobicContact CG1-CG1 4.25Å; V23-V80 HydrophobicContact CG2-CG1 4.19Å
24R75.7Confident74.7Confident141 Ų14192.6 Ų92.653%0.53245%0.451SS..Hα-helixtrans-60.1-38.4177.1-171.8177.8-175.5-176.80.9112.7V20 K28V20-R24 VanDerWaalsContact O-CB 3.23Å; V20-R24 WeakPolarHBondContact O-CB 3.42Å; V20-R24 PolarHBondContact O-N 2.97Å; R24-K28 WeakPolarHBondContact O-CG 3.27Å; R24-K28 PolarHBondContact O-N 3.4Å; R24-K28 VanDerWaalsContact O-N 3.08Å
25K80.1Confident73.7Confident135 Ų13588.2 Ų88.259%0.58743%0.429SS*.Hα-helixtrans-63.8-46.6176.2-176.3177.8174.5-177.10111R21 A22 V23 K28 E29R21-K25 WeakPolarHBondContact O-CB 3.4Å; R21-K25 PolarHBondContact O-N 3.18Å; A22-K25 PolarHBondContact O-N 2.88Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 2.85Å; K25-K28 PolarHBondContact O-N 3.42Å; K25-E29 WeakPolarHBondContact CE-OE1 3.4Å; K25-E29 WeakPolarHBondContact O-CG 3.04Å; K25-E29 PolarHBondContact O-N 2.75Å
26R80Confident73Confident193 Ų19392.1 Ų92.173%0.72844%0.444SS*.Hα-helixtrans-64.1-41.5177.2-70.4-177.7177.4-161.8-0.5112.7A22 V23 K28 E29 S30A22-R26 PolarHBondContact O-N 3.45Å; A22-R26 VanDerWaalsContact O-N 3.1Å; V23-R26 PolarHBondContact O-N 3.43Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.35Å; R26-E29 PolarHBondContact O-N 2.83Å; R26-S30 PolarHBondContact O-N 2.92Å
27L72.6Confident72.3Confident39 Ų3993.8 Ų93.820%0.20445%0.451CS..Hα-helixtrans-61.8-39.1176.1-72.7173.1000111.7V23 S30 F37 V39 A82V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.81Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-OG 2.77Å; L27-F37 HydrophobicContact CB-CD2 4.12Å; L27-F37 HydrophobicContact CB-CE2 4.19Å; L27-F37 HydrophobicContact CB-CG 4.26Å; L27-F37 HydrophobicContact CB-CZ 4.4Å; L27-F37 HydrophobicContact CD1-CB 4.18Å; L27-F37 HydrophobicContact CD1-CD1 4.09Å; L27-F37 HydrophobicContact CD1-CG 4.09Å; L27-F37 HydrophobicContact CD2-CD1 4.48Å; L27-F37 HydrophobicContact CD2-CE1 4.32Å; L27-V39 HydrophobicContact CD1-CG2 3.67Å; L27-A82 HydrophobicContact CD1-CB 4.14Å
28K72.6Confident71.7Confident132 Ų13290.9 Ų90.957%0.57444%0.437SS*.Hα-helixtrans-68.4-32.5174.5-76.5-177.7176.3-171.50114.1R24 K25 R26R24-K28 WeakPolarHBondContact O-CG 3.27Å; R24-K28 PolarHBondContact O-N 3.4Å; R24-K28 VanDerWaalsContact O-N 3.08Å; K25-K28 PolarHBondContact O-N 3.42Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.35Å
29E75.1Confident71.1Confident135 Ų13589 Ų8963%0.63142%0.422SS*.Hα-helixtrans-75.3-28.2176.8-73.3168.3-176.300111.6K25 R26K25-E29 WeakPolarHBondContact CE-OE1 3.4Å; K25-E29 WeakPolarHBondContact O-CG 3.04Å; K25-E29 PolarHBondContact O-N 2.75Å; R26-E29 PolarHBondContact O-N 2.83Å
30S67.4Low70.6Confident46 Ų4688.9 Ų88.932%0.32242%0.419SS..SBendtrans-66.7152.517281.20000111.6R26 L27 M32R26-S30 PolarHBondContact O-N 2.92Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-OG 2.77Å; S30-M32 PolarHBondContact O-N 2.65Å
31T55.9Low70.4Confident145 Ų14587.6 Ų87.689%0.8941%0.411SS*.SBendtrans-593.5-169.8-40.80000115.7K33T31-K33 VanDerWaalsContact C-N 3.33Å; T31-K33 PolarHBondContact O-N 3.06Å
32M60.8Low70.1Confident65 Ų6581.7 Ų81.732%0.3239%0.392SS..  trans-90.852.3-176.7-63.3-86.2-83.700111.6S30 D34 Y35 F37S30-M32 PolarHBondContact O-N 2.65Å; M32-D34 PolarHBondContact O-N 2.88Å; M32-D34 VanDerWaalsContact O-N 3.14Å; M32-Y35 HydrophobicContact CB-CD2 3.72Å; M32-Y35 HydrophobicContact CB-CE2 4.32Å; M32-Y35 HydrophobicContact CE-CD1 4.22Å; M32-Y35 HydrophobicContact CE-CD2 3.57Å; M32-Y35 HydrophobicContact CE-CE1 4.16Å; M32-Y35 HydrophobicContact CE-CE2 3.46Å; M32-Y35 VanDerWaalsContact CE-CE2 3.46Å; M32-Y35 HydrophobicContact CE-CG 3.93Å; M32-Y35 HydrophobicContact CG-CD2 4.27Å; M32-Y35 HydrophobicContact CG-CE2 4.45Å; M32-Y35 PolarHBondContact O-N 3.46Å; M32-Y35 HydrophobicContact SD-CD2 3.63Å; M32-Y35 HydrophobicContact SD-CE2 3.28Å; M32-Y35 WeakPolarHBondContact SD-CE2 3.38Å; M32-F37 HydrophobicContact CB-CE2 4.36Å; M32-F37 HydrophobicContact CB-CZ 3.58Å; M32-F37 HydrophobicContact CE-CE1 4.48Å; M32-F37 HydrophobicContact CG-CZ 4.43Å
33K57.8Low69.8Low183 Ų18379.5 Ų79.580%0.79637%0.373SS*.THydrogen-bonded Turntrans-62.9-20.4-175.1-69.4-176.6-179.6178.10114.6T31T31-K33 VanDerWaalsContact C-N 3.33Å; T31-K33 PolarHBondContact O-N 3.06Å
34D62Low69.5Low87 Ų8781.1 Ų81.147%0.46538%0.377SS..THydrogen-bonded Turntrans-96.8-1.3-173-57.9-35.4000113.7M32 P87 R111M32-D34 PolarHBondContact O-N 2.88Å; M32-D34 VanDerWaalsContact O-N 3.14Å; D34-P87 WeakPolarHBondContact O-CD 3.4Å; D34-P87 WeakPolarHBondContact O-CG 3.48Å; D34-R111 IonicContact OD2-NH1 2.66Å
35Y61.9Low69.4Low41 Ų4179 Ų7916%0.16137%0.373CS..PPolyproline II helixtrans-94.8143.2-175.9-71.5-91.4000112.4M32 F37 D84 L86M32-Y35 HydrophobicContact CB-CD2 3.72Å; M32-Y35 HydrophobicContact CB-CE2 4.32Å; M32-Y35 HydrophobicContact CE-CD1 4.22Å; M32-Y35 HydrophobicContact CE-CD2 3.57Å; M32-Y35 HydrophobicContact CE-CE1 4.16Å; M32-Y35 HydrophobicContact CE-CE2 3.46Å; M32-Y35 VanDerWaalsContact CE-CE2 3.46Å; M32-Y35 HydrophobicContact CE-CG 3.93Å; M32-Y35 HydrophobicContact CG-CD2 4.27Å; M32-Y35 HydrophobicContact CG-CE2 4.45Å; M32-Y35 PolarHBondContact O-N 3.46Å; M32-Y35 HydrophobicContact SD-CD2 3.63Å; M32-Y35 HydrophobicContact SD-CE2 3.28Å; M32-Y35 WeakPolarHBondContact SD-CE2 3.38Å; Y35-F37 HydrophobicContact CG-CZ 4.48Å; Y35-D84 HydrophobicContact CD1-CB 3.84Å; Y35-D84 HydrophobicContact CE1-CB 4.44Å; Y35-D84 HydrophobicContact CG-CB 4.42Å; Y35-L86 HydrophobicContact CE1-CD2 4.24Å
36K62.9Low68.8Low118 Ų11879.3 Ų79.351%0.51337%0.371SS..EExtended strand (participates in β ladder)trans-89.7118.5164.5-174.8-176.8176.9-166.20106.9S85K36-S85 PolarHBondContact N-O 3Å; K36-S85 PolarHBondContact O-N 3.29Å
37F66.2Low67.7Low40 Ų4075 Ų7518%0.17537%0.369CS..EExtended strand (participates in β ladder)trans-98.9133178.2-60.2-75000111.1L27 M32 Y35 F83 D84L27-F37 HydrophobicContact CB-CD2 4.12Å; L27-F37 HydrophobicContact CB-CE2 4.19Å; L27-F37 HydrophobicContact CB-CG 4.26Å; L27-F37 HydrophobicContact CB-CZ 4.4Å; L27-F37 HydrophobicContact CD1-CB 4.18Å; L27-F37 HydrophobicContact CD1-CD1 4.09Å; L27-F37 HydrophobicContact CD1-CG 4.09Å; L27-F37 HydrophobicContact CD2-CD1 4.48Å; L27-F37 HydrophobicContact CD2-CE1 4.32Å; M32-F37 HydrophobicContact CB-CE2 4.36Å; M32-F37 HydrophobicContact CB-CZ 3.58Å; M32-F37 HydrophobicContact CE-CE1 4.48Å; M32-F37 HydrophobicContact CG-CZ 4.43Å; Y35-F37 HydrophobicContact CG-CZ 4.48Å; F37-F83 VanDerWaalsContact CA-O 3.3Å; F37-F83 WeakPolarHBondContact CA-O 3.47Å; F37-D84 HydrophobicContact CD1-CB 4.2Å; F37-D84 HydrophobicContact CE1-CB 4.07Å
38I66.9Low66.7Low27 Ų2775.2 Ų75.214%0.13838%0.38CS..EExtended strand (participates in β ladder)trans-107.3124.4165.4-58.5173.7000106.6S58 A82 F83I38-S58 WeakPolarHBondContact CG2-O 3.49Å; I38-A82 CarbonylContact O-C 3.54Å; I38-A82 VanDerWaalsContact O-CA 3.23Å; I38-A82 WeakPolarHBondContact O-CA 3.31Å; I38-F83 HydrophobicContact CB-CB 4.21Å; I38-F83 HydrophobicContact CB-CD2 4.1Å; I38-F83 HydrophobicContact CG2-CD2 4.12Å; I38-F83 PolarHBondContact N-O 3.39Å; I38-F83 PolarHBondContact O-N 3.08Å
39V71.6Confident65.2Low20 Ų2079.2 Ų79.212%0.12140%0.401CS..EExtended strand (participates in β ladder)trans-119.8114.3178.3-176.90000108.1V20 V23 L27 V80 T81 A82V20-V39 HydrophobicContact CG1-CB 4.31Å; V20-V39 HydrophobicContact CG1-CG1 4.41Å; V20-V39 HydrophobicContact CG2-CG1 4.42Å; V23-V39 HydrophobicContact CB-CG1 4.15Å; V23-V39 HydrophobicContact CG1-CG1 3.8Å; V23-V39 HydrophobicContact CG1-CG2 4.1Å; L27-V39 HydrophobicContact CD1-CG2 3.67Å; V39-V80 HydrophobicContact CG1-CG1 3.75Å; V39-T81 CarbonylContact C-O 3.54Å; V39-T81 WeakPolarHBondContact CA-O 3.18Å; V39-A82 HydrophobicContact CG2-CB 4.42Å
40Q71.5Confident63.8Low47 Ų4775.9 Ų75.922%0.2240%0.403CS..EExtended strand (participates in β ladder)trans-103.1131.6172.2163.7-178.611.800108.8V42 V57 V80 T81Q40-V42 HydrophobicContact CG-CG2 4.29Å; Q40-V57 HydrophobicContact CG-CG2 4.07Å; Q40-V57 VanDerWaalsContact NE2-CG2 3.31Å; Q40-V80 CarbonylContact O-C 3.48Å; Q40-V80 VanDerWaalsContact O-CA 3.31Å; Q40-V80 WeakPolarHBondContact O-CA 3.4Å; Q40-T81 VanDerWaalsContact CB-OG1 3.31Å; Q40-T81 WeakPolarHBondContact CB-OG1 3.47Å; Q40-T81 PolarHBondContact N-O 2.9Å; Q40-T81 PolarHBondContact O-N 3.15Å; Q40-T81 PolarHBondContact O-OG1 3.42Å
41C76Confident63.1Low1 Ų178.7 Ų78.71%0.00742%0.418CS..EExtended strand (participates in β ladder)trans-124.3131.2176.1-176.80000108.5V20 C78 V79V20-C41 HydrophobicContact CG2-CB 3.33Å; C41-C78 PolarHBondContact SG-SG 3.06Å; C41-V79 CarbonylContact C-O 3.58Å; C41-V79 VanDerWaalsContact CA-O 3.28Å; C41-V79 WeakPolarHBondContact CA-O 3.45Å
42V74.8Confident62.6Low30 Ų3078.6 Ų78.618%0.18241%0.407CS..EExtended strand (participates in β ladder)trans-125.1122.7174.9-175.60000107.9Q40 F44 A55 C78 V79Q40-V42 HydrophobicContact CG-CG2 4.29Å; V42-F44 HydrophobicContact CG1-CD1 4.26Å; V42-A55 HydrophobicContact CG2-CB 4.37Å; V42-C78 CarbonylContact O-C 3.5Å; V42-C78 VanDerWaalsContact O-CA 3.29Å; V42-C78 WeakPolarHBondContact O-CA 3.23Å; V42-V79 PolarHBondContact N-O 2.96Å; V42-V79 PolarHBondContact O-N 3.3Å
43V74.9Confident62.1Low5 Ų583.7 Ų83.73%0.0342%0.424CS..EExtended strand (participates in β ladder)trans-114.8125.2177-174.90000108.3Y7 A16 F76 V77 C78Y7-V43 HydrophobicContact CD2-CG1 4.37Å; Y7-V43 HydrophobicContact CE2-CG1 4.16Å; A16-V43 HydrophobicContact CB-CG2 4.06Å; V43-F76 HydrophobicContact CG1-CB 4.18Å; V43-F76 HydrophobicContact CG1-CD2 3.92Å; V43-F76 HydrophobicContact CG1-CG 4.27Å; V43-V77 WeakPolarHBondContact CA-O 3.5Å; V43-C78 HydrophobicContact CG2-CB 4.35Å
44F72.9Confident61.6Low73 Ų7376 Ų7632%0.3240%0.397SS..EExtended strand (participates in β ladder)trans-140152.7179.160.6-87.3000111.9V42 F76 V77 V79V42-F44 HydrophobicContact CG1-CD1 4.26Å; F44-F76 CarbonylContact O-C 3.55Å; F44-F76 WeakPolarHBondContact O-CA 3.27Å; F44-F76 WeakPolarHBondContact O-CB 3.47Å; F44-V77 HydrophobicContact CD1-CB 4.23Å; F44-V77 HydrophobicContact CD2-CB 4.14Å; F44-V77 HydrophobicContact CE1-CB 3.71Å; F44-V77 HydrophobicContact CE1-CG1 3.66Å; F44-V77 HydrophobicContact CE2-CB 3.61Å; F44-V77 HydrophobicContact CE2-CG1 4.14Å; F44-V77 HydrophobicContact CE2-CG2 3.91Å; F44-V77 HydrophobicContact CG-CB 4.44Å; F44-V77 HydrophobicContact CZ-CB 3.38Å; F44-V77 HydrophobicContact CZ-CG1 3.42Å; F44-V77 VanDerWaalsContact CZ-CG1 3.42Å; F44-V77 HydrophobicContact CZ-CG2 4.04Å; F44-V77 PolarHBondContact N-O 2.65Å; F44-V77 PolarHBondContact O-N 3.33Å; F44-V79 HydrophobicContact CE1-CG2 4.12Å
45E73Confident61.1Low97 Ų9774.5 Ų74.545%0.45340%0.397SS..EExtended strand (participates in β ladder)trans-71.7141.8176.9-164.1176.6-172.400111.4Y7Y7-E45 HydrophobicContact CD1-CB 3.75Å; Y7-E45 HydrophobicContact CD1-CG 3.86Å; Y7-E45 HydrophobicContact CE1-CB 3.74Å; Y7-E45 HydrophobicContact CE1-CG 4.31Å; Y7-E45 HydrophobicContact CG-CB 4.29Å; Y7-E45 HydrophobicContact CG-CG 4.38Å
46R68.6Low60.4Low142 Ų14275.5 Ų75.554%0.53641%0.41SS..SBendtrans-77.5-22.6-176.7-168.9175169.4156.7-3.2113.4G73 T75R46-G73 PolarHBondContact NH1-O 2.98Å; R46-T75 PolarHBondContact N-O 3.43Å
47C57.1Low59.8Low102 Ų10274.2 Ų74.269%0.68941%0.411SS*.SBendtrans-148.468.4-163.3-56.30000114
48G50.7Low58.7Low43 Ų4376.3 Ų76.344%0.44343%0.431SS..  trans-164.2130176.300000115.4G50G48-G50 PolarHBondContact O-N 3.05Å; G48-G50 VanDerWaalsContact O-N 3.12Å
49H41.6Very low57.6Low216 Ų21685 Ų85100%146%0.462SS*.SBendtrans-71.995.8170.8-81.153.4000109.3
50G45.3Very low56Low66 Ų6689.1 Ų89.168%0.6848%0.484SS*.SBendtrans144.573177.900000111.3G48 E52G48-G50 PolarHBondContact O-N 3.05Å; G48-G50 VanDerWaalsContact O-N 3.12Å; G50-E52 PolarHBondContact O-N 3.48Å
51V53.1Low54.5Low104 Ų10490 Ų9063%0.6350%0.495SS*.  trans-82.899.1-171.1-172.10000110.3Y53V51-Y53 HydrophobicContact CG1-CD1 4.24Å
52E46.1Very low52.7Low143 Ų14396 Ų9667%0.66853%0.527SS*.  trans-79.6115.2151.9-72.1-163.116300108Y7 G50Y7-E52 PolarHBondContact OH-O 3.18Å; G50-E52 PolarHBondContact O-N 3.48Å
53Y49.2Very low50.8Low172 Ų17299.6 Ų99.668%0.67555%0.55SS*.  trans-109.7126.8176.459.4-86.4000109.7V51 A55V51-Y53 HydrophobicContact CG1-CD1 4.24Å; Y53-A55 HydrophobicContact CD2-CB 4.37Å
54G47.3Very low49.7Very low23 Ų23102.7 Ų102.724%0.23757%0.566CS.*EExtended strand (participates in β ladder)trans-89.6114.6164.700000109
55A51.1Low48.8Very low55 Ų55101.3 Ų101.346%0.45557%0.572SS.*EExtended strand (participates in β ladder)trans-129.4121.4170.500000108.9V42 Y53V42-A55 HydrophobicContact CG2-CB 4.37Å; Y53-A55 HydrophobicContact CD2-CB 4.37Å
56S48Very low47.9Very low62 Ų62101.4 Ų101.443%0.43458%0.583SS.*  trans-107.7130164.773.40000108.8
57V50.3Low47.4Very low90 Ų9097.7 Ų97.755%0.54558%0.582SS.*  trans-137.2128.3178.6-175.70000107.3Q40Q40-V57 HydrophobicContact CG-CG2 4.07Å; Q40-V57 VanDerWaalsContact NE2-CG2 3.31Å
58S43.2Very low47.7Very low85 Ų85100.5 Ų100.559%0.59458%0.578SS**  trans-111.8120.916275.80000108.2I38I38-S58 WeakPolarHBondContact CG2-O 3.49Å
59W42.8Very low48.3Very low208 Ų208104.1 Ų104.179%0.78858%0.583SS**  trans-104142.6-173.3-178.370.6000111.7S61W59-S61 WeakPolarHBondContact CZ2-OG 3.43Å
60D39.4Very low49.7Very low107 Ų10797.1 Ų97.157%0.57255%0.553SS**  trans-149.4141.8160.2-164.2-0.7000107.1
61S38.6Very low50.7Low65 Ų6598.9 Ų98.946%0.45554%0.542SS..  trans-92.30.9-148.1-1660000117.8W59W59-S61 WeakPolarHBondContact CZ2-OG 3.43Å
62D38.3Very low51.4Low128 Ų128100.2 Ų100.268%0.68454%0.541SS*.SBendtrans-133.6124.2-167.9-64.5-43.7000113.9
63T35.4Very low52.3Low106 Ų10694.3 Ų94.365%0.6552%0.519SS*.  trans60.4113.615853.90000119.9
64D52.4Low53Low70 Ų7092.1 Ų92.137%0.37452%0.519SS..  trans123.7139.4140.1-60-44.1000119.3D84 F105D64-D84 CarbonylContact C-O 3.52Å; D64-D84 VanDerWaalsContact CB-O 3.29Å; D64-D84 WeakPolarHBondContact CB-O 3.17Å; D64-F105 WeakPolarHBondContact OD2-CE2 3.49Å
65G52.8Low53.8Low44 Ų4493.6 Ų93.645%0.45452%0.523SS..  trans29.794.1170.300000119.5A67 D84G65-A67 PolarHBondContact O-N 3.16Å; G65-D84 WeakPolarHBondContact CA-OD1 3.44Å; G65-D84 PolarHBondContact N-OD1 3.19Å; G65-D84 VanDerWaalsContact O-OD1 3.14Å
66C55.8Low54.6Low99 Ų9993.4 Ų93.467%0.66951%0.512SS*.EExtended strand (participates in β ladder)trans-80.3115.7163.466.40000110.9F83C66-F83 HydrophobicContact CB-CD1 4.08Å; C66-F83 HydrophobicContact CB-CE1 3.84Å
67A56.9Low55.8Low63 Ų6391 Ų9152%0.52149%0.494SS..EExtended strand (participates in β ladder)trans-100.4115.4163.400000108.6G65 T81 A82G65-A67 PolarHBondContact O-N 3.16Å; A67-T81 CarbonylContact O-C 3.48Å; A67-T81 WeakPolarHBondContact O-CA 3.39Å; A67-A82 PolarHBondContact N-O 2.95Å; A67-A82 PolarHBondContact O-N 3.44Å
68R64.3Low56.7Low162 Ų16287 Ų8761%0.61147%0.471SS*.EExtended strand (participates in β ladder)trans-113127.8177.8-177.9173.2174.4171.4-0.7110I70 V79 V80 T81R68-I70 HydrophobicContact CG-CG1 4.31Å; R68-V79 HydrophobicContact CG-CG1 4.11Å; R68-V80 WeakPolarHBondContact CA-O 3.45Å; R68-T81 HydrophobicContact CB-CG2 3.84Å; R68-T81 HydrophobicContact CG-CG2 3.66Å
69E62.8Low58.1Low118 Ų11883.8 Ų83.855%0.55145%0.447SS*.EExtended strand (participates in β ladder)trans-123.5132.9171-155.6173.3-173.900109.3F71 V80E69-F71 HydrophobicContact CB-CE2 4.04Å; E69-F71 HydrophobicContact CB-CZ 4.46Å; E69-F71 HydrophobicContact CG-CE1 4.46Å; E69-F71 HydrophobicContact CG-CE2 3.81Å; E69-F71 HydrophobicContact CG-CZ 3.79Å; E69-F71 WeakPolarHBondContact OE1-CZ 3.32Å; E69-F71 VanDerWaalsContact OE2-CZ 3.31Å; E69-F71 WeakPolarHBondContact OE2-CZ 3.22Å; E69-V80 PolarHBondContact N-O 3.37Å; E69-V80 PolarHBondContact O-N 3.47Å
70I70.2Confident59.3Low70 Ų7074.4 Ų74.436%0.35941%0.413SS..EExtended strand (participates in β ladder)trans-114.2113.2180-52.2177.7000108R68 H72 V77 V79R68-I70 HydrophobicContact CG-CG1 4.31Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.43Å; I70-V77 HydrophobicContact CG2-CG1 3.82Å; I70-V79 HydrophobicContact CG1-CG1 4.4Å; I70-V79 HydrophobicContact CG1-CG2 4.25Å; I70-V79 HydrophobicContact CG2-CG2 4.1Å
71F66.8Low60.7Low103 Ų10370.2 Ų70.245%0.45239%0.391SS..EExtended strand (participates in β ladder)trans-94.6118.5173.3-65.1-80.4000109.4E69 V77 C78E69-F71 HydrophobicContact CB-CE2 4.04Å; E69-F71 HydrophobicContact CB-CZ 4.46Å; E69-F71 HydrophobicContact CG-CE1 4.46Å; E69-F71 HydrophobicContact CG-CE2 3.81Å; E69-F71 HydrophobicContact CG-CZ 3.79Å; E69-F71 WeakPolarHBondContact OE1-CZ 3.32Å; E69-F71 VanDerWaalsContact OE2-CZ 3.31Å; E69-F71 WeakPolarHBondContact OE2-CZ 3.22Å; F71-V77 WeakPolarHBondContact O-CA 3.41Å; F71-C78 HydrophobicContact CB-CB 4.25Å; F71-C78 PolarHBondContact N-O 3.48Å; F71-C78 PolarHBondContact O-N 3.19Å
72H67.9Low61.9Low131 Ų13167.9 Ų67.961%0.60638%0.376SS*.EExtended strand (participates in β ladder)trans-97.9112.2175-60.681.5000108.5I70I70-H72 WeakPolarHBondContact CG2-CE1 3.43Å
73G64.7Low63.1Low20 Ų2065.3 Ų65.321%0.20636%0.359CS..  trans-92.5177.3165.700000111.7R46 F76R46-G73 PolarHBondContact NH1-O 2.98Å; G73-F76 WeakPolarHBondContact CA-O 3.03Å; G73-F76 PolarHBondContact N-O 3.27Å
74D64Low64.5Low126 Ų12662 Ų6267%0.67434%0.337SS*.SBendtrans-71.8-36.2175.9-63.6-29.2000111.4
75T64.1Low65Low54 Ų5460 Ų6033%0.33133%0.329SS..SBendtrans-108.4-31.2-175490000113.6R5 R46R5-T75 PolarHBondContact O-OG1 3.39Å; R46-T75 PolarHBondContact N-O 3.43Å
76F69Low65.6Low51 Ų5159.5 Ų59.522%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-135.3156.2-178.264.9-89.3000112.4R5 Y7 V43 F44 G73 C78R5-F76 HydrophobicContact CB-CE1 4.39Å; Y7-F76 HydrophobicContact CD2-CB 3.85Å; Y7-F76 HydrophobicContact CG-CB 4.4Å; V43-F76 HydrophobicContact CG1-CB 4.18Å; V43-F76 HydrophobicContact CG1-CD2 3.92Å; V43-F76 HydrophobicContact CG1-CG 4.27Å; F44-F76 CarbonylContact O-C 3.55Å; F44-F76 WeakPolarHBondContact O-CA 3.27Å; F44-F76 WeakPolarHBondContact O-CB 3.47Å; G73-F76 WeakPolarHBondContact CA-O 3.03Å; G73-F76 PolarHBondContact N-O 3.27Å; F76-C78 HydrophobicContact CD2-CB 4.43Å; F76-C78 HydrophobicContact CE2-CB 4.42Å
77V71.4Confident66.2Low10 Ų1056.7 Ų56.76%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-112.9134.1169.7179.80000108.3V43 F44 I70 F71 V79V43-V77 WeakPolarHBondContact CA-O 3.5Å; F44-V77 HydrophobicContact CD1-CB 4.23Å; F44-V77 HydrophobicContact CD2-CB 4.14Å; F44-V77 HydrophobicContact CE1-CB 3.71Å; F44-V77 HydrophobicContact CE1-CG1 3.66Å; F44-V77 HydrophobicContact CE2-CB 3.61Å; F44-V77 HydrophobicContact CE2-CG1 4.14Å; F44-V77 HydrophobicContact CE2-CG2 3.91Å; F44-V77 HydrophobicContact CG-CB 4.44Å; F44-V77 HydrophobicContact CZ-CB 3.38Å; F44-V77 HydrophobicContact CZ-CG1 3.42Å; F44-V77 VanDerWaalsContact CZ-CG1 3.42Å; F44-V77 HydrophobicContact CZ-CG2 4.04Å; F44-V77 PolarHBondContact N-O 2.65Å; F44-V77 PolarHBondContact O-N 3.33Å; I70-V77 HydrophobicContact CG2-CG1 3.82Å; F71-V77 WeakPolarHBondContact O-CA 3.41Å; V77-V79 HydrophobicContact CG1-CG2 4.45Å
78C69.3Low66.8Low8 Ų856.3 Ų56.35%0.05430%0.299CS..EExtended strand (participates in β ladder)trans-118.5119.9177.6177.80000109.6C41 V42 V43 F71 F76C41-C78 PolarHBondContact SG-SG 3.06Å; V42-C78 CarbonylContact O-C 3.5Å; V42-C78 VanDerWaalsContact O-CA 3.29Å; V42-C78 WeakPolarHBondContact O-CA 3.23Å; V43-C78 HydrophobicContact CG2-CB 4.35Å; F71-C78 HydrophobicContact CB-CB 4.25Å; F71-C78 PolarHBondContact N-O 3.48Å; F71-C78 PolarHBondContact O-N 3.19Å; F76-C78 HydrophobicContact CD2-CB 4.43Å; F76-C78 HydrophobicContact CE2-CB 4.42Å
79V72.9Confident67.6Low16 Ų1655.9 Ų55.910%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-107117175.5-179.50000108.2C41 V42 F44 R68 I70 V77 T81C41-V79 CarbonylContact C-O 3.58Å; C41-V79 VanDerWaalsContact CA-O 3.28Å; C41-V79 WeakPolarHBondContact CA-O 3.45Å; V42-V79 PolarHBondContact N-O 2.96Å; V42-V79 PolarHBondContact O-N 3.3Å; F44-V79 HydrophobicContact CE1-CG2 4.12Å; R68-V79 HydrophobicContact CG-CG1 4.11Å; I70-V79 HydrophobicContact CG1-CG1 4.4Å; I70-V79 HydrophobicContact CG1-CG2 4.25Å; I70-V79 HydrophobicContact CG2-CG2 4.1Å; V77-V79 HydrophobicContact CG1-CG2 4.45Å; V79-T81 HydrophobicContact CG1-CG2 4.38Å
80V69.4Low68.5Low11 Ų1153.8 Ų53.87%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-108.1127.1173.2-174.70000108.7V19 V23 V39 Q40 R68 E69V19-V80 HydrophobicContact CG1-CG2 3.76Å; V23-V80 HydrophobicContact CG1-CG1 4.25Å; V23-V80 HydrophobicContact CG2-CG1 4.19Å; V39-V80 HydrophobicContact CG1-CG1 3.75Å; Q40-V80 CarbonylContact O-C 3.48Å; Q40-V80 VanDerWaalsContact O-CA 3.31Å; Q40-V80 WeakPolarHBondContact O-CA 3.4Å; R68-V80 WeakPolarHBondContact CA-O 3.45Å; E69-V80 PolarHBondContact N-O 3.37Å; E69-V80 PolarHBondContact O-N 3.47Å
81T67.3Low69.3Low19 Ų1953.5 Ų53.512%0.11729%0.293CS..EExtended strand (participates in β ladder)trans-121.5122.1174.841.40000108.4V39 Q40 A67 R68 V79V39-T81 CarbonylContact C-O 3.54Å; V39-T81 WeakPolarHBondContact CA-O 3.18Å; Q40-T81 VanDerWaalsContact CB-OG1 3.31Å; Q40-T81 WeakPolarHBondContact CB-OG1 3.47Å; Q40-T81 PolarHBondContact N-O 2.9Å; Q40-T81 PolarHBondContact O-N 3.15Å; Q40-T81 PolarHBondContact O-OG1 3.42Å; A67-T81 CarbonylContact O-C 3.48Å; A67-T81 WeakPolarHBondContact O-CA 3.39Å; R68-T81 HydrophobicContact CB-CG2 3.84Å; R68-T81 HydrophobicContact CG-CG2 3.66Å; V79-T81 HydrophobicContact CG1-CG2 4.38Å
82A64.6Low70.1Confident16 Ų1652 Ų5213%0.13229%0.293CS..EExtended strand (participates in β ladder)trans-109.9132.1173.400000109.1L27 I38 V39 A67L27-A82 HydrophobicContact CD1-CB 4.14Å; I38-A82 CarbonylContact O-C 3.54Å; I38-A82 VanDerWaalsContact O-CA 3.23Å; I38-A82 WeakPolarHBondContact O-CA 3.31Å; V39-A82 HydrophobicContact CG2-CB 4.42Å; A67-A82 PolarHBondContact N-O 2.95Å; A67-A82 PolarHBondContact O-N 3.44Å
83F64.3Low70.8Confident74 Ų7452.2 Ų52.233%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-113.2135.9171.8-53.4-91.7000108.3F37 I38 C66F37-F83 VanDerWaalsContact CA-O 3.3Å; F37-F83 WeakPolarHBondContact CA-O 3.47Å; I38-F83 HydrophobicContact CB-CB 4.21Å; I38-F83 HydrophobicContact CB-CD2 4.1Å; I38-F83 HydrophobicContact CG2-CD2 4.12Å; I38-F83 PolarHBondContact N-O 3.39Å; I38-F83 PolarHBondContact O-N 3.08Å; C66-F83 HydrophobicContact CB-CD1 4.08Å; C66-F83 HydrophobicContact CB-CE1 3.84Å
84D63.4Low71.7Confident37 Ų3757.3 Ų57.320%0.19832%0.321CS..EExtended strand (participates in β ladder)trans-108.1122.917262.5-29.9000109.8Y35 F37 D64 G65Y35-D84 HydrophobicContact CD1-CB 3.84Å; Y35-D84 HydrophobicContact CE1-CB 4.44Å; Y35-D84 HydrophobicContact CG-CB 4.42Å; F37-D84 HydrophobicContact CD1-CB 4.2Å; F37-D84 HydrophobicContact CE1-CB 4.07Å; D64-D84 CarbonylContact C-O 3.52Å; D64-D84 VanDerWaalsContact CB-O 3.29Å; D64-D84 WeakPolarHBondContact CB-O 3.17Å; G65-D84 WeakPolarHBondContact CA-OD1 3.44Å; G65-D84 PolarHBondContact N-OD1 3.19Å; G65-D84 VanDerWaalsContact O-OD1 3.14Å
85S62.5Low72.5Confident28 Ų2854.7 Ų54.720%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-113.3141.5172.579.20000110K36K36-S85 PolarHBondContact N-O 3Å; K36-S85 PolarHBondContact O-N 3.29Å
86L66.7Low73.3Confident33 Ų3357.7 Ų57.717%0.17334%0.337CS..PPolyproline II helixtrans-57.9147.1167.4-78.1175.5000110.1Y35 G88 F105Y35-L86 HydrophobicContact CE1-CD2 4.24Å; L86-G88 PolarHBondContact O-N 3.47Å; L86-F105 HydrophobicContact CD1-CD2 3.64Å; L86-F105 HydrophobicContact CD1-CE2 3.17Å; L86-F105 HydrophobicContact CD1-CZ 3.81Å; L86-F105 HydrophobicContact CD2-CE2 4.35Å; L86-F105 HydrophobicContact CD2-CZ 4.18Å; L86-F105 HydrophobicContact CG-CE2 3.62Å; L86-F105 HydrophobicContact CG-CZ 3.92Å
87P67.6Low73.9Confident40 Ų4058.3 Ų58.326%0.2634%0.342SS..PPolyproline II helixtrans-65135.517624.5-29.3000110D34 Y103D34-P87 WeakPolarHBondContact O-CD 3.4Å; D34-P87 WeakPolarHBondContact O-CG 3.48Å; P87-Y103 HydrophobicContact CG-CD2 3.7Å; P87-Y103 HydrophobicContact CG-CE2 3.73Å; P87-Y103 HydrophobicContact CG-CG 4.14Å
88G70.4Confident74.6Confident56 Ų5663.1 Ų63.158%0.57736%0.359SS*.PPolyproline II helixtrans-61.7162.4-179.800000113.6L86 T90L86-G88 PolarHBondContact O-N 3.47Å; G88-T90 PolarHBondContact O-N 3.5Å; G88-T90 PolarHBondContact O-OG1 3.01Å
89R80.3Confident75.4Confident153 Ų15363.9 Ų63.958%0.57736%0.363SS*.PPolyproline II helixtrans-51.7122.2176.8176.3-178.6-167.1-172.511.6111.4V91 T100 E102R89-V91 HydrophobicContact CG-CG2 4.48Å; R89-T100 HydrophobicContact CG-CG2 4.17Å; R89-T100 VanDerWaalsContact NE-CG2 3.34Å; R89-E102 HydrophobicContact CB-CG 4.04Å; R89-E102 VanDerWaalsContact CD-OE1 3.25Å; R89-E102 WeakPolarHBondContact CD-OE1 3.28Å; R89-E102 HydrophobicContact CG-CG 3.64Å; R89-E102 IonicContact CZ-OE1 2.66Å; R89-E102 IonicContact NE-OE1 2.76Å; R89-E102 PolarHBondContact NE-OE1 3.03Å; R89-E102 IonicContact NH2-OE1 3.98Å; R89-E102 PolarHBondContact NH2-OE1 3.01Å
90T82.1Confident75.9Confident74 Ų7463.4 Ų63.445%0.45436%0.361SS..EExtended strand (participates in β ladder)trans-109.7131.7176.8-55.60000110.3G88 T92 V101G88-T90 PolarHBondContact O-N 3.5Å; G88-T90 PolarHBondContact O-OG1 3.01Å; T90-T92 HydrophobicContact CG2-CG2 4.29Å; T90-V101 PolarHBondContact N-O 2.94Å; T90-V101 PolarHBondContact O-N 2.83Å
91V85.9Confident76.7Confident63 Ų6364 Ų6438%0.38236%0.364SS..EExtended strand (participates in β ladder)trans-117.2115.1175.7-177.70000108.4R89 R98 T99 T100R89-V91 HydrophobicContact CG-CG2 4.48Å; V91-R98 HydrophobicContact CG1-CG 3.84Å; V91-T99 WeakPolarHBondContact CA-O 3.44Å; V91-T100 HydrophobicContact CG2-CG2 4.2Å
92T84.8Confident77.4Confident73 Ų7366.6 Ų66.645%0.44838%0.375SS..EExtended strand (participates in β ladder)trans-107.2137.8172.454.60000110T90 T99T90-T92 HydrophobicContact CG2-CG2 4.29Å; T92-T99 PolarHBondContact N-O 3.4Å; T92-T99 PolarHBondContact O-N 3.09Å; T92-T99 WeakPolarHBondContact OG1-CB 3.36Å
93L83.2Confident78.1Confident135 Ų13569.2 Ų69.271%0.70738%0.382SS*.EExtended strand (participates in β ladder)trans-110.2112.1176.3-73.6160.8000107.5R98L93-R98 HydrophobicContact CD2-CB 3.91Å; L93-R98 HydrophobicContact CD2-CG 4.07Å
94D82.2Confident78.7Confident127 Ų12770.2 Ų70.268%0.67938%0.384SS*.EExtended strand (participates in β ladder)trans-116.693.8175.4-170.918000108.2D96 I97D94-D96 PolarHBondContact O-N 2.79Å; D94-I97 PolarHBondContact N-O 3.14Å; D94-I97 PolarHBondContact O-N 3.21Å
95G81.7Confident79.4Confident70 Ų7072.4 Ų72.472%0.72239%0.392SS*.THydrogen-bonded Turntrans58.7-121.8-170.400000112.7I97G95-I97 VanDerWaalsContact C-N 3.3Å
96D79.8Confident80.1Confident118 Ų11873.9 Ų73.963%0.63140%0.398SS*.THydrogen-bonded Turntrans-83.2-2.7178.6-70.8-26.6000113.8D94 K119D94-D96 PolarHBondContact O-N 2.79Å; D96-K119 HydrophobicContact CB-CG 4.36Å
97I83.3Confident80.8Confident64 Ų6481.6 Ų81.633%0.32843%0.433SS..EExtended strand (participates in β ladder)trans-103.4111.4-174.7-53.2177.6000109D94 G95 R117 K119D94-I97 PolarHBondContact N-O 3.14Å; D94-I97 PolarHBondContact O-N 3.21Å; G95-I97 VanDerWaalsContact C-N 3.3Å; I97-R117 HydrophobicContact CG2-CB 4.15Å; I97-K119 HydrophobicContact CG1-CB 4.31Å; I97-K119 HydrophobicContact CG1-CD 4.5Å; I97-K119 HydrophobicContact CG1-CG 4.34Å
98R85.2Confident81.2Confident111 Ų11185.5 Ų85.542%0.41945%0.452SS..EExtended strand (participates in β ladder)trans-85.9111.8169.4-178.1-179.4173.2179.30.8109V91 L93 R117 H118V91-R98 HydrophobicContact CG1-CG 3.84Å; L93-R98 HydrophobicContact CD2-CB 3.91Å; L93-R98 HydrophobicContact CD2-CG 4.07Å; R98-R117 WeakPolarHBondContact O-CA 3.44Å; R98-H118 PolarHBondContact N-O 2.8Å; R98-H118 PolarHBondContact O-N 2.74Å
99T85.3Confident81.3Confident23 Ų2385.4 Ų85.414%0.14145%0.45CS..EExtended strand (participates in β ladder)trans-99.3120.5173.3-55.60000109.1V91 T92 V101 V115 S116 R117V91-T99 WeakPolarHBondContact CA-O 3.44Å; T92-T99 PolarHBondContact N-O 3.4Å; T92-T99 PolarHBondContact O-N 3.09Å; T92-T99 WeakPolarHBondContact OG1-CB 3.36Å; T99-V101 HydrophobicContact CG2-CG2 4.34Å; T99-V115 HydrophobicContact CG2-CG1 3.67Å; T99-S116 CarbonylContact C-O 3.56Å; T99-S116 WeakPolarHBondContact CA-O 3.41Å; T99-R117 HydrophobicContact CG2-CG 3.87Å
100T84.9Confident80.7Confident7 Ų784 Ų844%0.04345%0.45CS..EExtended strand (participates in β ladder)trans-111.8123.6176.7-56.30000108.3R89 V91 E102 V115 S116R89-T100 HydrophobicContact CG-CG2 4.17Å; R89-T100 VanDerWaalsContact NE-CG2 3.34Å; V91-T100 HydrophobicContact CG2-CG2 4.2Å; T100-E102 HydrophobicContact CG2-CG 4.18Å; T100-E102 WeakPolarHBondContact CG2-OE1 3.3Å; T100-V115 CarbonylContact O-C 3.52Å; T100-V115 WeakPolarHBondContact O-CA 3Å; T100-S116 PolarHBondContact N-O 3.1Å; T100-S116 PolarHBondContact O-N 2.94Å
101V85.7Confident80.3Confident24 Ų2488 Ų8815%0.14546%0.457CS..EExtended strand (participates in β ladder)trans-111.6121.5177.1-176.20000108.5T90 T99 Y103 K113 T114 V115T90-V101 PolarHBondContact N-O 2.94Å; T90-V101 PolarHBondContact O-N 2.83Å; T99-V101 HydrophobicContact CG2-CG2 4.34Å; V101-Y103 HydrophobicContact CG1-CD2 4.39Å; V101-Y103 HydrophobicContact CG1-CE2 3.69Å; V101-K113 HydrophobicContact CG1-CD 4.31Å; V101-K113 HydrophobicContact CG1-CG 4.01Å; V101-T114 WeakPolarHBondContact CA-O 3.45Å; V101-V115 HydrophobicContact CG1-CG2 4.4Å; V101-V115 HydrophobicContact CG2-CG1 4.28Å; V101-V115 HydrophobicContact CG2-CG2 4.23Å
102E81.1Confident79.8Confident72 Ų7288.8 Ų88.834%0.33646%0.458SS..EExtended strand (participates in β ladder)trans-127.7141.1178.4-74.1169-159.300109.5R89 T100 K113 T114R89-E102 HydrophobicContact CB-CG 4.04Å; R89-E102 VanDerWaalsContact CD-OE1 3.25Å; R89-E102 WeakPolarHBondContact CD-OE1 3.28Å; R89-E102 HydrophobicContact CG-CG 3.64Å; R89-E102 IonicContact CZ-OE1 2.66Å; R89-E102 IonicContact NE-OE1 2.76Å; R89-E102 PolarHBondContact NE-OE1 3.03Å; R89-E102 IonicContact NH2-OE1 3.98Å; R89-E102 PolarHBondContact NH2-OE1 3.01Å; T100-E102 HydrophobicContact CG2-CG 4.18Å; T100-E102 WeakPolarHBondContact CG2-OE1 3.3Å; E102-K113 CarbonylContact O-C 3.45Å; E102-K113 WeakPolarHBondContact O-CA 3.38Å; E102-T114 PolarHBondContact N-O 2.9Å; E102-T114 PolarHBondContact O-N 2.82Å
103Y78.9Confident79.7Confident72 Ų7291.1 Ų91.128%0.28246%0.462SS..EExtended strand (participates in β ladder)trans-114.1136.7175.8-63.6-96.9000108.6P87 V101 M112 K113P87-Y103 HydrophobicContact CG-CD2 3.7Å; P87-Y103 HydrophobicContact CG-CE2 3.73Å; P87-Y103 HydrophobicContact CG-CG 4.14Å; V101-Y103 HydrophobicContact CG1-CD2 4.39Å; V101-Y103 HydrophobicContact CG1-CE2 3.69Å; Y103-M112 VanDerWaalsContact CA-O 3.3Å; Y103-M112 WeakPolarHBondContact CA-O 3.46Å; Y103-K113 HydrophobicContact CD1-CB 3.99Å; Y103-K113 HydrophobicContact CD1-CG 4.15Å; Y103-K113 HydrophobicContact CE1-CB 3.91Å; Y103-K113 HydrophobicContact CE1-CD 3.86Å; Y103-K113 HydrophobicContact CE1-CG 3.74Å
104Y78.7Confident79.7Confident95 Ų9587.5 Ų87.537%0.37345%0.445SS..EExtended strand (participates in β ladder)trans-148.6162175.659.5-78.8000109.9M112 T114Y104-M112 HydrophobicContact CD1-CB 4.18Å; Y104-M112 HydrophobicContact CD2-CB 4.01Å; Y104-M112 HydrophobicContact CE1-CB 3.69Å; Y104-M112 HydrophobicContact CE2-CB 3.54Å; Y104-M112 HydrophobicContact CE2-CG 4.01Å; Y104-M112 HydrophobicContact CG-CB 4.31Å; Y104-M112 PolarHBondContact N-O 2.83Å; Y104-M112 PolarHBondContact O-N 3.08Å; Y104-T114 VanDerWaalsContact CE1-OG1 3.22Å; Y104-T114 WeakPolarHBondContact CE1-OG1 3.47Å; Y104-T114 PolarHBondContact OH-OG1 2.84Å
105F77.2Confident79.9Confident82 Ų8284.8 Ų84.836%0.3643%0.433SS..EExtended strand (participates in β ladder)trans-91.4131.7168-67.4-81.6000109.4D64 L86 Q110 R111D64-F105 WeakPolarHBondContact OD2-CE2 3.49Å; L86-F105 HydrophobicContact CD1-CD2 3.64Å; L86-F105 HydrophobicContact CD1-CE2 3.17Å; L86-F105 HydrophobicContact CD1-CZ 3.81Å; L86-F105 HydrophobicContact CD2-CE2 4.35Å; L86-F105 HydrophobicContact CD2-CZ 4.18Å; L86-F105 HydrophobicContact CG-CE2 3.62Å; L86-F105 HydrophobicContact CG-CZ 3.92Å; F105-Q110 WeakPolarHBondContact CA-O 3.45Å; F105-R111 HydrophobicContact CE1-CB 4.32Å
106D77.4Confident79.9Confident60 Ų6083.4 Ų83.432%0.32141%0.413SS..  trans-72168.6170.6-167.426.1000110.9N108 G109 Q110 M112D106-N108 PolarHBondContact O-N 3.09Å; D106-N108 PolarHBondContact OD2-ND2 2.83Å; D106-G109 PolarHBondContact O-N 3.22Å; D106-Q110 PolarHBondContact N-O 3.08Å; D106-M112 HydrophobicContact CB-CG 3.99Å
107E81.5Confident80.2Confident195 Ų19586.9 Ų86.991%0.91142%0.417SS*.THydrogen-bonded Turntrans-54.5-26.2176.9-63.5-177166.700112.7G109E107-G109 VanDerWaalsContact C-N 3.3Å; E107-G109 PolarHBondContact O-N 3.06Å
108N76Confident80.2Confident122 Ų12288.9 Ų88.965%0.65242%0.424SS*.THydrogen-bonded Turntrans-84.96.2177.9-60-53.4000114.2D106 Q110D106-N108 PolarHBondContact O-N 3.09Å; D106-N108 PolarHBondContact OD2-ND2 2.83Å; N108-Q110 HydrophobicContact CB-CG 4.33Å; N108-Q110 PolarHBondContact O-N 2.8Å
109G71.3Confident80.1Confident53 Ų5390.4 Ų90.455%0.54643%0.434SS..SBendtrans69.711.8-174.900000114.1D106 E107D106-G109 PolarHBondContact O-N 3.22Å; E107-G109 VanDerWaalsContact C-N 3.3Å; E107-G109 PolarHBondContact O-N 3.06Å
110Q69.2Low79.8Confident124 Ų12494.4 Ų94.458%0.57946%0.458SS*.  trans-84.6137.1177.2-65.8-173.81800110.7F105 D106 N108 M112F105-Q110 WeakPolarHBondContact CA-O 3.45Å; D106-Q110 PolarHBondContact N-O 3.08Å; N108-Q110 HydrophobicContact CB-CG 4.33Å; N108-Q110 PolarHBondContact O-N 2.8Å; Q110-M112 PolarHBondContact O-N 2.66Å
111R72.2Confident79.4Confident158 Ų15897.9 Ų97.960%0.59648%0.483SS*.EExtended strand (participates in β ladder)trans-69.8125.4175.870.1-175.7-157.4150.67.8110.7D34 F105D34-R111 IonicContact OD2-NH1 2.66Å; F105-R111 HydrophobicContact CE1-CB 4.32Å
112M76.1Confident79.2Confident79 Ų79106.4 Ų106.439%0.38952%0.518SS..EExtended strand (participates in β ladder)trans-117.9139.3177.6-71.4-71.3-93.800110.3Y103 Y104 D106 Q110Y103-M112 VanDerWaalsContact CA-O 3.3Å; Y103-M112 WeakPolarHBondContact CA-O 3.46Å; Y104-M112 HydrophobicContact CD1-CB 4.18Å; Y104-M112 HydrophobicContact CD2-CB 4.01Å; Y104-M112 HydrophobicContact CE1-CB 3.69Å; Y104-M112 HydrophobicContact CE2-CB 3.54Å; Y104-M112 HydrophobicContact CE2-CG 4.01Å; Y104-M112 HydrophobicContact CG-CB 4.31Å; Y104-M112 PolarHBondContact N-O 2.83Å; Y104-M112 PolarHBondContact O-N 3.08Å; D106-M112 HydrophobicContact CB-CG 3.99Å; Q110-M112 PolarHBondContact O-N 2.66Å
113K82.7Confident79.4Confident122 Ų122111.1 Ų111.153%0.5354%0.537SS..EExtended strand (participates in β ladder)trans-116.5111.2175.1179.5-173-179.9178.80108.7V101 E102 Y103 V115V101-K113 HydrophobicContact CG1-CD 4.31Å; V101-K113 HydrophobicContact CG1-CG 4.01Å; E102-K113 CarbonylContact O-C 3.45Å; E102-K113 WeakPolarHBondContact O-CA 3.38Å; Y103-K113 HydrophobicContact CD1-CB 3.99Å; Y103-K113 HydrophobicContact CD1-CG 4.15Å; Y103-K113 HydrophobicContact CE1-CB 3.91Å; Y103-K113 HydrophobicContact CE1-CD 3.86Å; Y103-K113 HydrophobicContact CE1-CG 3.74Å; K113-V115 HydrophobicContact CD-CG2 4.23Å; K113-V115 HydrophobicContact CG-CG2 4.13Å
114T83.9Confident79.8Confident59 Ų59119.8 Ų119.836%0.36257%0.57SS.*EExtended strand (participates in β ladder)trans-94123.3172.1-72.40000109.7V101 E102 Y104V101-T114 WeakPolarHBondContact CA-O 3.45Å; E102-T114 PolarHBondContact N-O 2.9Å; E102-T114 PolarHBondContact O-N 2.82Å; Y104-T114 VanDerWaalsContact CE1-OG1 3.22Å; Y104-T114 WeakPolarHBondContact CE1-OG1 3.47Å; Y104-T114 PolarHBondContact OH-OG1 2.84Å
115V86.1Confident80.2Confident71 Ų71118.7 Ų118.743%0.4357%0.569SS.*EExtended strand (participates in β ladder)trans-112.899173.7-175.90000108.5T99 T100 V101 K113 R117T99-V115 HydrophobicContact CG2-CG1 3.67Å; T100-V115 CarbonylContact O-C 3.52Å; T100-V115 WeakPolarHBondContact O-CA 3Å; V101-V115 HydrophobicContact CG1-CG2 4.4Å; V101-V115 HydrophobicContact CG2-CG1 4.28Å; V101-V115 HydrophobicContact CG2-CG2 4.23Å; K113-V115 HydrophobicContact CD-CG2 4.23Å; K113-V115 HydrophobicContact CG-CG2 4.13Å; V115-R117 HydrophobicContact CG1-CG 4.46Å
116S82.3Confident80.9Confident41 Ų41117.7 Ų117.729%0.28757%0.573SS.*EExtended strand (participates in β ladder)trans-93.8122.7176.1-170.10000110.7T99 T100 H118T99-S116 CarbonylContact C-O 3.56Å; T99-S116 WeakPolarHBondContact CA-O 3.41Å; T100-S116 PolarHBondContact N-O 3.1Å; T100-S116 PolarHBondContact O-N 2.94Å; S116-H118 PolarHBondContact OG-CD2 3.11Å; S116-H118 PolarHBondContact OG-CE1 3.04Å; S116-H118 PolarHBondContact OG-NE2 2.64Å
117R84.8Confident81.7Confident191 Ų191123.9 Ų123.972%0.72160%0.597SS**EExtended strand (participates in β ladder)trans-110.2112.3176-68.2-172.8-71.4-178.2-1.9109.7I97 R98 T99 V115I97-R117 HydrophobicContact CG2-CB 4.15Å; R98-R117 WeakPolarHBondContact O-CA 3.44Å; T99-R117 HydrophobicContact CG2-CG 3.87Å; V115-R117 HydrophobicContact CG1-CG 4.46Å
118H83.2Confident82.3Confident105 Ų105117.4 Ų117.449%0.48658%0.576SS.*EExtended strand (participates in β ladder)trans-108.5119.2177.5-63.6-74.1000110.4R98 S116R98-H118 PolarHBondContact N-O 2.8Å; R98-H118 PolarHBondContact O-N 2.74Å; S116-H118 PolarHBondContact OG-CD2 3.11Å; S116-H118 PolarHBondContact OG-CE1 3.04Å; S116-H118 PolarHBondContact OG-NE2 2.64Å
119K84.4Confident83Confident143 Ų143114.7 Ų114.762%0.62256%0.562SS**EExtended strand (participates in β ladder)trans-99.5117.5168.2-174.8176.4-178.4174.60109.5D96 I97 S121D96-K119 HydrophobicContact CB-CG 4.36Å; I97-K119 HydrophobicContact CG1-CB 4.31Å; I97-K119 HydrophobicContact CG1-CD 4.5Å; I97-K119 HydrophobicContact CG1-CG 4.34Å; K119-S121 PolarHBondContact O-N 2.94Å
120V78.3Confident83.9Confident107 Ų107115.6 Ų115.665%0.64855%0.553SS**  trans-83.8100.5177.7-178.10000109
121S76.2Confident85.1Confident81 Ų81112.6 Ų112.657%0.56655%0.549SS*.  trans-98.3122.8173.669.80000111.1K119K119-S121 PolarHBondContact O-N 2.94Å
122K82.6Confident86.1Confident203 Ų203112.8 Ų112.888%0.88355%0.55SS**  trans-88.4105.8174.8-66.6178.8-178173.80109.2
123K84.7Confident86.6Confident170 Ų170115.6 Ų115.674%0.73956%0.562SS**  trans-93.6127.9172.3-66.1-176.4-1781800110.2I125K123-I125 HydrophobicContact CB-CD1 4.41Å; K123-I125 HydrophobicContact CB-CG1 4.24Å; K123-I125 PolarHBondContact O-N 3.3Å
124R87.7Confident87Confident254 Ų254117.9 Ų117.996%0.95857%0.572SS**  trans-82.1105.6171.9-70.3-175.9176.3-174.7-0.5108.8
125I86.2Confident87.3Confident72 Ų72120.5 Ų120.537%0.36958%0.583SS.*  trans-111.7139179-58.8172.7000108.1K123 I129 I130K123-I125 HydrophobicContact CB-CD1 4.41Å; K123-I125 HydrophobicContact CB-CG1 4.24Å; K123-I125 PolarHBondContact O-N 3.3Å; I125-I129 HydrophobicContact CG2-CB 3.51Å; I125-I129 HydrophobicContact CG2-CD1 4.22Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 HydrophobicContact CG2-CG2 3.41Å; I125-I129 VanDerWaalsContact CG2-CG2 3.41Å; I125-I130 HydrophobicContact CB-CD1 4.48Å; I125-I130 HydrophobicContact CB-CG1 4.23Å; I125-I130 HydrophobicContact CG2-CG1 3.94Å
126S92.3Very high87.4Confident61 Ų61122.1 Ų122.143%0.42760%0.595SS.*  trans-64.2146.5178.673.80000111A128 I129 I130S126-A128 PolarHBondContact O-N 3.16Å; S126-A128 VanDerWaalsContact O-N 3.15Å; S126-I129 PolarHBondContact O-N 3.24Å; S126-I129 VanDerWaalsContact OG-CD1 3.3Å; S126-I129 WeakPolarHBondContact OG-CD1 3.4Å; S126-I129 VanDerWaalsContact OG-CG1 3.27Å; S126-I129 WeakPolarHBondContact OG-CG1 3.27Å; S126-I129 PolarHBondContact OG-N 2.92Å; S126-I130 PolarHBondContact O-N 3.28Å
127K93.8Very high87.6Confident190 Ų190125 Ų12583%0.82660%0.603SS**Hα-helixtrans-54.9-36.6-179.5-67.3-177.6179.51790112.2I129 I130 A131K127-I129 VanDerWaalsContact C-N 3.35Å; K127-I129 PolarHBondContact O-N 3.27Å; K127-I130 PolarHBondContact O-N 3.05Å; K127-A131 PolarHBondContact O-N 3.04Å
128A93.8Very high87.5Confident59 Ų59122.9 Ų122.949%0.48860%0.599SS.*Hα-helixtrans-66-32177.300000113.6S126 R132S126-A128 PolarHBondContact O-N 3.16Å; S126-A128 VanDerWaalsContact O-N 3.15Å; A128-R132 WeakPolarHBondContact O-CG 3.34Å; A128-R132 PolarHBondContact O-N 3.13Å; A128-R132 PolarHBondContact O-NE 2.9Å
129I91.8Very high87.4Confident66 Ų66124.9 Ų124.934%0.33861%0.612SS.*Hα-helixtrans-73.4-41.8174.8-66.3165.7000110I125 S126 K127 A131 R132 Q133I125-I129 HydrophobicContact CG2-CB 3.51Å; I125-I129 HydrophobicContact CG2-CD1 4.22Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 HydrophobicContact CG2-CG2 3.41Å; I125-I129 VanDerWaalsContact CG2-CG2 3.41Å; S126-I129 PolarHBondContact O-N 3.24Å; S126-I129 VanDerWaalsContact OG-CD1 3.3Å; S126-I129 WeakPolarHBondContact OG-CD1 3.4Å; S126-I129 VanDerWaalsContact OG-CG1 3.27Å; S126-I129 WeakPolarHBondContact OG-CG1 3.27Å; S126-I129 PolarHBondContact OG-N 2.92Å; K127-I129 VanDerWaalsContact C-N 3.35Å; K127-I129 PolarHBondContact O-N 3.27Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 3.49Å; I129-R132 PolarHBondContact O-N 3.35Å; I129-R132 VanDerWaalsContact O-N 3.16Å; I129-Q133 HydrophobicContact CG2-CG 4.44Å; I129-Q133 WeakPolarHBondContact O-CG 3.45Å; I129-Q133 PolarHBondContact O-N 2.96Å
130I90.6Very high86.9Confident71 Ų71120.6 Ų120.636%0.36461%0.609SS.*Hα-helixtrans-61.2-42.2176.4-61.4172.5000110.9I125 S126 K127 R132 Q133 K134I125-I130 HydrophobicContact CB-CD1 4.48Å; I125-I130 HydrophobicContact CB-CG1 4.23Å; I125-I130 HydrophobicContact CG2-CG1 3.94Å; S126-I130 PolarHBondContact O-N 3.28Å; K127-I130 PolarHBondContact O-N 3.05Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.01Å; I130-Q133 PolarHBondContact O-N 3.1Å; I130-K134 WeakPolarHBondContact O-CG 3.38Å; I130-K134 PolarHBondContact O-N 3.37Å
131A93.6Very high86.6Confident61 Ų61118.3 Ų118.350%0.50460%0.597SS.*Hα-helixtrans-61-42.2175.300000111.9K127 I129 K134K127-A131 PolarHBondContact O-N 3.04Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 3.49Å; A131-K134 PolarHBondContact O-N 3.04Å
132R92.7Very high86.2Confident163 Ų163121.5 Ų121.562%0.61560%0.601SS**Hα-helixtrans-67.4-37.4177.2-77.5-174.7-76.1170.2-5.2113.4A128 I129 I130 K134 L135A128-R132 WeakPolarHBondContact O-CG 3.34Å; A128-R132 PolarHBondContact O-N 3.13Å; A128-R132 PolarHBondContact O-NE 2.9Å; I129-R132 PolarHBondContact O-N 3.35Å; I129-R132 VanDerWaalsContact O-N 3.16Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.01Å; R132-K134 PolarHBondContact O-N 3.14Å; R132-L135 HydrophobicContact CB-CD1 4.38Å; R132-L135 HydrophobicContact CG-CD1 4.28Å; R132-L135 WeakPolarHBondContact O-CB 3.36Å; R132-L135 WeakPolarHBondContact O-CG 3.27Å; R132-L135 PolarHBondContact O-N 3.28Å
133Q88Confident85.3Confident137 Ų137114.6 Ų114.664%0.6458%0.582SS**Hα-helixtrans-65.3-28.7176.6-76.1-178.9-11.900113I129 I130 L135I129-Q133 HydrophobicContact CG2-CG 4.44Å; I129-Q133 WeakPolarHBondContact O-CG 3.45Å; I129-Q133 PolarHBondContact O-N 2.96Å; I130-Q133 PolarHBondContact O-N 3.1Å; Q133-L135 VanDerWaalsContact C-N 3.32Å
134K90Very high84.1Confident171 Ų171111.4 Ų111.474%0.74357%0.573SS**THydrogen-bonded Turntrans-85.1-0.7178-68.6-177179.9-172.40113.8I130 A131 R132I130-K134 WeakPolarHBondContact O-CG 3.38Å; I130-K134 PolarHBondContact O-N 3.37Å; A131-K134 PolarHBondContact O-N 3.04Å; R132-K134 PolarHBondContact O-N 3.14Å
135L89.9Confident82.7Confident114 Ų114106.2 Ų106.260%0.59756%0.564SS**SBendtrans-64.3136.4178-72.4169.8000110R132 Q133 K137R132-L135 HydrophobicContact CB-CD1 4.38Å; R132-L135 HydrophobicContact CG-CD1 4.28Å; R132-L135 WeakPolarHBondContact O-CB 3.36Å; R132-L135 WeakPolarHBondContact O-CG 3.27Å; R132-L135 PolarHBondContact O-N 3.28Å; Q133-L135 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.28Å
136P88Confident81.3Confident104 Ų104107.3 Ų107.368%0.67557%0.571SS**PPolyproline II helixtrans-62.2138.3173.227.3-33.3000109.2
137K86.2Confident79.5Confident103 Ų103106.6 Ų106.645%0.44856%0.564SS.*PPolyproline II helixtrans-58.9141.4171-57.9-176.2-172.7175.90108.8L135 S141 K142 D144L135-K137 PolarHBondContact O-N 3.28Å; K137-S141 WeakPolarHBondContact CB-O 3.38Å; K137-S141 WeakPolarHBondContact CD-O 3.26Å; K137-K142 WeakPolarHBondContact O-CE 3.2Å; K137-K142 WeakPolarHBondContact O-CG 3.48Å; K137-D144 IonicContact NZ-OD1 3.13Å; K137-D144 PolarHBondContact NZ-OD1 2.83Å
138F84.5Confident77.9Confident146 Ų146102.6 Ų102.664%0.6455%0.55SS**  trans-126.9162.9-177.359.7-86.4000110.8S141F138-S141 PolarHBondContact O-N 3.27Å
139L79.5Confident76.5Confident146 Ų146103.3 Ų103.376%0.76456%0.564SS**G310 helixtrans51.3-138.3-178.9-62.2166.8000112S141 K142L139-S141 PolarHBondContact O-N 3.38Å; L139-K142 PolarHBondContact O-N 3.46Å; L139-K142 VanDerWaalsContact O-N 3.16Å
140G73.6Confident75.5Confident53 Ų53107.5 Ų107.555%0.54658%0.579SS.*G310 helixtrans-67.92.3-177.400000115.7
141S73.2Confident74.7Confident59 Ų59108.2 Ų108.241%0.41359%0.587SS.*G310 helixtrans-93.6-4.3171.7-56.30000113.2K137 F138 L139K137-S141 WeakPolarHBondContact CB-O 3.38Å; K137-S141 WeakPolarHBondContact CD-O 3.26Å; F138-S141 PolarHBondContact O-N 3.27Å; L139-S141 PolarHBondContact O-N 3.38Å
142K68.4Low73.8Confident149 Ų149110 Ų11065%0.64860%0.596SS**SBendtrans-73.1-31175.4-80.8-172.8174-1790113.2K137 L139 D144K137-K142 WeakPolarHBondContact O-CE 3.2Å; K137-K142 WeakPolarHBondContact O-CG 3.48Å; L139-K142 PolarHBondContact O-N 3.46Å; L139-K142 VanDerWaalsContact O-N 3.16Å; K142-D144 PolarHBondContact O-N 2.8Å; K142-D144 VanDerWaalsContact O-N 3.11Å
143A62.8Low72.7Confident57 Ų57109.8 Ų109.847%0.47160%0.596SS.*SBendtrans-7796.1171.400000106.6D145 D146A143-D145 PolarHBondContact O-N 2.95Å; A143-D146 PolarHBondContact O-N 3.33Å
144D60Low71.9Confident103 Ų103110.7 Ų110.755%0.55160%0.6SS**G310 helixtrans-53.7-22.1178.1-75-44.9000112.2K137 K142 D146 T147K137-D144 IonicContact NZ-OD1 3.13Å; K137-D144 PolarHBondContact NZ-OD1 2.83Å; K142-D144 PolarHBondContact O-N 2.8Å; K142-D144 VanDerWaalsContact O-N 3.11Å; D144-D146 PolarHBondContact O-N 2.87Å; D144-T147 PolarHBondContact O-N 2.86Å; D144-T147 PolarHBondContact O-OG1 3.28Å
145D58.6Low71.1Confident145 Ų145110.4 Ų110.478%0.77561%0.607SS**G310 helixtrans-59.5-38.3-177.3-140.626.1000114.1A143A143-D145 PolarHBondContact O-N 2.95Å
146D56.1Low70.5Confident96 Ų96112.6 Ų112.651%0.51361%0.614SS.*G310 helixtrans-97.9-7-174.4-91.3-5.8000114.1A143 D144 I148 G149A143-D146 PolarHBondContact O-N 3.33Å; D144-D146 PolarHBondContact O-N 2.87Å; D146-I148 PolarHBondContact O-N 3.02Å; D146-G149 PolarHBondContact O-N 3.01Å
147T55.8Low70.1Confident45 Ų45115.9 Ų115.928%0.27662%0.62SS.*Hα-helixtrans-65.3-31.5-179.1-11.50000111.4D144 G149 K150 T151D144-T147 PolarHBondContact O-N 2.86Å; D144-T147 PolarHBondContact O-OG1 3.28Å; T147-G149 PolarHBondContact O-N 3.03Å; T147-K150 PolarHBondContact O-N 3.05Å; T147-T151 PolarHBondContact O-OG1 2.81Å
148I58.4Low69.9Low107 Ų107115.8 Ų115.855%0.54963%0.628SS.*Hα-helixtrans-63.4-32.2179.9-65171.3000111.2D146 Y153D146-I148 PolarHBondContact O-N 3.02Å; I148-Y153 HydrophobicContact CB-CE2 4.08Å; I148-Y153 HydrophobicContact CG1-CE2 4.26Å; I148-Y153 WeakPolarHBondContact CG1-OH 3.31Å; I148-Y153 HydrophobicContact CG2-CD2 4.48Å; I148-Y153 HydrophobicContact CG2-CE2 3.69Å
149G65.7Low69.8Low74 Ų74117.3 Ų117.376%0.76363%0.634SS**Hα-helixtrans-85.3-21.5-177.300000115.2D146 T147D146-G149 PolarHBondContact O-N 3.01Å; T147-G149 PolarHBondContact O-N 3.03Å
150K71Confident69.7Low153 Ų153117 Ų11767%0.66563%0.631SS**Hα-helixtrans-94-20-173.7-69176.1-174.9163.40114T147T147-K150 PolarHBondContact O-N 3.05Å
151T73.3Confident69.8Low86 Ų86121.3 Ų121.353%0.52864%0.637SS.*SBendtrans-118.4127.7175.646.90000109.6T147T147-T151 PolarHBondContact O-OG1 2.81Å
152S75.4Confident69.7Low98 Ų98127 Ų12769%0.68565%0.654SS**  trans-65.9133.5174.560.90000110.3H154S152-H154 VanDerWaalsContact C-N 3.33Å
153Y69Low69.7Low160 Ų160123.6 Ų123.663%0.62764%0.642SS**SBendtrans-82.5-18169.6-76.9-89.7000112.6I148I148-Y153 HydrophobicContact CB-CE2 4.08Å; I148-Y153 HydrophobicContact CG1-CE2 4.26Å; I148-Y153 WeakPolarHBondContact CG1-OH 3.31Å; I148-Y153 HydrophobicContact CG2-CD2 4.48Å; I148-Y153 HydrophobicContact CG2-CE2 3.69Å
154H71.5Confident69.7Low155 Ų155132.7 Ų132.772%0.71866%0.664SS**SBendtrans-87125.9-179.6-69.1-70.5000109.8S152 E156S152-H154 VanDerWaalsContact C-N 3.33Å; H154-E156 PolarHBondContact O-N 2.89Å
155D71.7Confident70Confident166 Ų166130.8 Ų130.889%0.88866%0.659SS**  trans-73.3107.3169.2-66.8-22.8000107.6
156E78.4Confident70.1Confident159 Ų159135.1 Ų135.174%0.74367%0.665SS**  trans-79.5118.5169.7-69.9-177178.700109H154 V158H154-E156 PolarHBondContact O-N 2.89Å; E156-V158 PolarHBondContact O-N 2.86Å
157E79.4Confident70.3Confident174 Ų174135.3 Ų135.381%0.81367%0.669SS**  trans-74.194.9176-165.2-176.3-178.100110.2K159E157-K159 PolarHBondContact O-N 3.4Å
158V82.4Confident70.3Confident101 Ų101134.3 Ų134.361%0.61267%0.668SS**  trans-87.8106176.1-175.90000109.8E156 M160E156-V158 PolarHBondContact O-N 2.86Å; V158-M160 HydrophobicContact CG1-CG 4.17Å; V158-M160 PolarHBondContact O-N 2.7Å; V158-M160 VanDerWaalsContact O-N 3.08Å
159K81Confident70.2Confident177 Ų177134.8 Ų134.877%0.7767%0.668SS**  trans-73.698.1172.2-70.6-178.8-177.2174.60110.2E157E157-K159 PolarHBondContact O-N 3.4Å
160M79.3Confident69.8Low141 Ų141138.1 Ų138.170%0.69567%0.667SS**  trans-84.5117.8171.7-70-179.8-83.400110.3V158 F162V158-M160 HydrophobicContact CG1-CG 4.17Å; V158-M160 PolarHBondContact O-N 2.7Å; V158-M160 VanDerWaalsContact O-N 3.08Å; M160-F162 HydrophobicContact CB-CE2 4.42Å
161Q74.3Confident69.2Low143 Ų143136.2 Ų136.267%0.66866%0.664SS**  trans-92.5116.7168.4-74.1-179.8-27.900109.5I163Q161-I163 PolarHBondContact O-N 3.02Å
162F71.8Confident68.5Low178 Ų178136.8 Ų136.878%0.78166%0.661SS**  trans-82.489.8175.1-64.9-86.2000109.8M160 R164M160-F162 HydrophobicContact CB-CE2 4.42Å; F162-R164 PolarHBondContact O-N 2.83Å
163I67.7Low67.6Low77 Ų77139.7 Ų139.740%0.39566%0.658SS.*  trans-76.7120.2177.5-52.7173.9000108.9Q161 S165 E169Q161-I163 PolarHBondContact O-N 3.02Å; I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 WeakPolarHBondContact CG2-O 3.34Å; I163-S165 PolarHBondContact O-N 3.42Å; I163-E169 HydrophobicContact CD1-CG 4.33Å
164R63.5Low67Low249 Ų249134 Ų13494%0.9464%0.642SS**SBendtrans-81.40-174.9-70.8-174.5176.9-175.4-0.7115F162F162-R164 PolarHBondContact O-N 2.83Å
165S66.5Low66.3Low63 Ų63135.2 Ų135.244%0.44164%0.64SS.*SBendtrans-164.5145.9176.257.80000112.2I163 T167 G168I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 WeakPolarHBondContact CG2-O 3.34Å; I163-S165 PolarHBondContact O-N 3.42Å; S165-T167 WeakPolarHBondContact CB-OG1 3.31Å; S165-T167 PolarHBondContact O-N 3.37Å; S165-T167 PolarHBondContact OG-OG1 3.45Å; S165-G168 PolarHBondContact O-N 3.01Å
166R60.3Low65.6Low236 Ų236130.3 Ų130.389%0.89162%0.618SS**THydrogen-bonded Turntrans-55.5-16.4176.4-162.7177.4-167171.23.9114.1
167T59.1Low64.5Low100 Ų100129.2 Ų129.261%0.61361%0.613SS**THydrogen-bonded Turntrans-81.5-20.8177.944.40000114.3S165S165-T167 WeakPolarHBondContact CB-OG1 3.31Å; S165-T167 PolarHBondContact O-N 3.37Å; S165-T167 PolarHBondContact OG-OG1 3.45Å
168G57.5Low63.1Low24 Ų24128.3 Ų128.325%0.24761%0.609CS.*Hα-helixtrans-71.3-33.5178.600000112.8S165 L170 L171 E172S165-G168 PolarHBondContact O-N 3.01Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 3.34Å; G168-L171 PolarHBondContact O-N 2.78Å; G168-E172 PolarHBondContact O-N 3.14Å
169E55.4Low61.5Low117 Ų117130.9 Ų130.955%0.54762%0.619SS.*Hα-helixtrans-65-33.3-176-145.1170.6-159.700112.5I163 Y173I163-E169 HydrophobicContact CD1-CG 4.33Å; E169-Y173 WeakPolarHBondContact O-CB 3.33Å; E169-Y173 PolarHBondContact O-N 3.4Å
170L57.3Low59.9Low143 Ų143126 Ų12675%0.74961%0.612SS**Hα-helixtrans-77.1-32.8178.6-148.4117.8000112.5G168 S174G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 3.34Å; L170-S174 WeakPolarHBondContact O-CB 3.44Å; L170-S174 PolarHBondContact O-N 3.37Å; L170-S174 VanDerWaalsContact O-N 3.07Å; L170-S174 PolarHBondContact O-OG 3.44Å; L170-S174 VanDerWaalsContact O-OG 3.11Å
171L58.7Low58.4Low113 Ų113121.4 Ų121.459%0.59260%0.601SS**Hα-helixtrans-79.4-32.3179.7-91.6159.2000112.9G168 S174 R175G168-L171 PolarHBondContact O-N 2.78Å; L171-S174 VanDerWaalsContact CA-OG 3.27Å; L171-S174 WeakPolarHBondContact CA-OG 3.42Å; L171-S174 PolarHBondContact O-OG 3.49Å; L171-R175 WeakPolarHBondContact O-CB 3.46Å; L171-R175 PolarHBondContact O-N 3.42Å
172E57.5Low57.3Low98 Ų98119.8 Ų119.846%0.45860%0.603SS.*Hα-helixtrans-77.9-36.9175.6-130.4167.5-175.300111.1G168 R175 S176G168-E172 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 3.21Å; E172-S176 VanDerWaalsContact O-CB 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.44Å; E172-S176 PolarHBondContact O-N 3.43Å; E172-S176 PolarHBondContact O-OG 3.41Å
173Y57Low56.1Low160 Ų160117.3 Ų117.363%0.62760%0.604SS**Hα-helixtrans-58.5-48.9166.8-110.1-91.9000111.1E169 R175 S176 E177E169-Y173 WeakPolarHBondContact O-CB 3.33Å; E169-Y173 PolarHBondContact O-N 3.4Å; Y173-R175 PolarHBondContact O-N 3.44Å; Y173-S176 WeakPolarHBondContact CA-OG 3.16Å; Y173-S176 PolarHBondContact O-N 3.11Å; Y173-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 3.01Å; Y173-E177 PolarHBondContact O-N 3.39Å
174S56.8Low55.1Low41 Ų41124.4 Ų124.429%0.28763%0.626SS.*Hα-helixtrans-65.3-37.8179.1620000113L170 L171 S176 E177 E178L170-S174 WeakPolarHBondContact O-CB 3.44Å; L170-S174 PolarHBondContact O-N 3.37Å; L170-S174 VanDerWaalsContact O-N 3.07Å; L170-S174 PolarHBondContact O-OG 3.44Å; L170-S174 VanDerWaalsContact O-OG 3.11Å; L171-S174 VanDerWaalsContact CA-OG 3.27Å; L171-S174 WeakPolarHBondContact CA-OG 3.42Å; L171-S174 PolarHBondContact O-OG 3.49Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.17Å; S174-E177 PolarHBondContact O-N 2.95Å; S174-E178 WeakPolarHBondContact O-CB 3.38Å; S174-E178 VanDerWaalsContact O-CG 3.24Å; S174-E178 WeakPolarHBondContact O-CG 3.27Å; S174-E178 PolarHBondContact O-N 3.48Å
175R57.3Low54.2Low180 Ų180117.7 Ų117.768%0.67962%0.615SS**Hα-helixtrans-68.5-31.7172.8-84.3177.591163.45.1112.9L171 E172 Y173 N179L171-R175 WeakPolarHBondContact O-CB 3.46Å; L171-R175 PolarHBondContact O-N 3.42Å; E172-R175 PolarHBondContact O-N 3.21Å; Y173-R175 PolarHBondContact O-N 3.44Å; R175-N179 WeakPolarHBondContact O-CB 3.45Å; R175-N179 PolarHBondContact O-N 2.94Å; R175-N179 VanDerWaalsContact O-N 3.09Å
176S56.2Low53Low63 Ų63120.8 Ų120.844%0.44163%0.631SS.*Hα-helixtrans-73.8-33.2175.971.60000112E172 Y173 S174 A180E172-S176 VanDerWaalsContact O-CB 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.44Å; E172-S176 PolarHBondContact O-N 3.43Å; E172-S176 PolarHBondContact O-OG 3.41Å; Y173-S176 WeakPolarHBondContact CA-OG 3.16Å; Y173-S176 PolarHBondContact O-N 3.11Å; Y173-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 3.01Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.17Å; S176-A180 WeakPolarHBondContact O-CB 3.47Å; S176-A180 PolarHBondContact O-N 2.9Å
177E56Low52.3Low136 Ų136114 Ų11464%0.63662%0.616SS**Hα-helixtrans-73.6-34.2171.7-72.1-174.1145.500112.7Y173 S174 A180Y173-E177 PolarHBondContact O-N 3.39Å; S174-E177 PolarHBondContact O-N 2.95Å; E177-A180 CarbonylContact O-C 3.41Å
178E50.2Low51.8Low155 Ų155116.6 Ų116.672%0.72462%0.621SS**Hα-helixtrans-72.6-29175.1-73.2178.3152.800113S174S174-E178 WeakPolarHBondContact O-CB 3.38Å; S174-E178 VanDerWaalsContact O-CG 3.24Å; S174-E178 WeakPolarHBondContact O-CG 3.27Å; S174-E178 PolarHBondContact O-N 3.48Å
179N47.9Very low51.7Low154 Ų154123 Ų12382%0.82464%0.642SS**Hα-helixtrans-91.7-19.3172.9-95.5-16.5000113.9R175 G181R175-N179 WeakPolarHBondContact O-CB 3.45Å; R175-N179 PolarHBondContact O-N 2.94Å; R175-N179 VanDerWaalsContact O-N 3.09Å; N179-G181 PolarHBondContact O-N 3.12Å
180A47.7Very low52.1Low74 Ų74127.5 Ų127.561%0.61265%0.654SS**SBendtrans-92.756.1166.800000109.7S176 E177S176-A180 WeakPolarHBondContact O-CB 3.47Å; S176-A180 PolarHBondContact O-N 2.9Å; E177-A180 CarbonylContact O-C 3.41Å
181G47.9Very low53.1Low45 Ų45124.4 Ų124.446%0.46464%0.641SS.*  trans-52.1151.1170.200000110.9N179N179-G181 PolarHBondContact O-N 3.12Å
182P50.7Low54Low110 Ų110119.1 Ų119.171%0.71461%0.614SS**SBendtrans-50.4150.317823.6-34000109.6R184P182-R184 PolarHBondContact O-N 3.06Å
183P47.9Very low54.9Low125 Ų125125 Ų12581%0.81263%0.632SS**  trans-51.4109.5-178.523.3-32.9000107P185P183-P185 WeakPolarHBondContact O-CD 3.48Å
184R46.9Very low56Low227 Ų227121 Ų12186%0.85762%0.616SS**  trans-53.8119.4-176-69.8-177.2179.6-154.4-0.1104.9P182 T186P182-R184 PolarHBondContact O-N 3.06Å; R184-T186 PolarHBondContact O-N 3.46Å
185P43.2Very low57Low108 Ų108120.4 Ų120.470%0.70161%0.611SS**  trans-54.2127.4172.224.2-31.9000104.6P183 V187P183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-V187 VanDerWaalsContact C-N 3.28Å; P185-V187 VanDerWaalsContact O-CG2 3.23Å; P185-V187 WeakPolarHBondContact O-CG2 3.48Å; P185-V187 PolarHBondContact O-N 3Å
186T41.7Very low57.9Low128 Ų128120.2 Ų120.279%0.78562%0.616SS**  trans-47.897.7-178.8-62.30000108.5R184 Q188R184-T186 PolarHBondContact O-N 3.46Å; T186-Q188 HydrophobicContact CG2-CG 4.37Å; T186-Q188 PolarHBondContact O-N 3.08Å
187V45.9Very low58.8Low94 Ų94118.9 Ų118.957%0.5761%0.606SS**  trans-75.395.1177.6-170.30000103.1P185 F189P185-V187 VanDerWaalsContact C-N 3.28Å; P185-V187 VanDerWaalsContact O-CG2 3.23Å; P185-V187 WeakPolarHBondContact O-CG2 3.48Å; P185-V187 PolarHBondContact O-N 3Å; V187-F189 HydrophobicContact CB-CE2 4.47Å; V187-F189 VanDerWaalsContact O-CD2 3.28Å; V187-F189 WeakPolarHBondContact O-CD2 3.43Å; V187-F189 PolarHBondContact O-N 3.07Å
188Q48.3Very low60Low154 Ų154117.2 Ų117.272%0.7261%0.606SS**  trans-60.992.2168.9-72.5-179.8-1300106.5T186 R190T186-Q188 HydrophobicContact CG2-CG 4.37Å; T186-Q188 PolarHBondContact O-N 3.08Å; Q188-R190 PolarHBondContact O-N 3.28Å
189F55.8Low61.3Low158 Ų158118.3 Ų118.369%0.69361%0.611SS**  trans-58.2107.5170.9-70.5-80.5000107.1V187 V191V187-F189 HydrophobicContact CB-CE2 4.47Å; V187-F189 VanDerWaalsContact O-CD2 3.28Å; V187-F189 WeakPolarHBondContact O-CD2 3.43Å; V187-F189 PolarHBondContact O-N 3.07Å; F189-V191 PolarHBondContact O-N 3.31Å
190R63.5Low62.8Low211 Ų211112.5 Ų112.580%0.79658%0.579SS**  trans-73.498.1175.2-70.6-162.2-178-128.33.8107.9Q188Q188-R190 PolarHBondContact O-N 3.28Å
191V77.6Confident64.3Low78 Ų78118 Ų11847%0.47358%0.584SS.*  trans-80143.3171.7-109.20000110.3F189 R193 K196 T198F189-V191 PolarHBondContact O-N 3.31Å; V191-R193 PolarHBondContact O-N 2.96Å; V191-K196 WeakPolarHBondContact CG1-O 3.31Å; V191-T198 HydrophobicContact CG1-CG2 3.89Å
192C79Confident65.7Low2 Ų2118.3 Ų118.31%0.01458%0.578CS.*  trans-57.7131.8173.81760000110.9Y194 C195 K196 S197 H200C192-Y194 PolarHBondContact O-N 2.81Å; C192-Y194 PolarHBondContact SG-N 3.4Å; C192-C195 VanDerWaalsContact SG-SG 3.66Å; C192-K196 VanDerWaalsContact O-CA 3.27Å; C192-K196 WeakPolarHBondContact O-CA 3.42Å; C192-K196 PolarHBondContact O-N 2.96Å; C192-S197 PolarHBondContact N-O 2.92Å; C192-H200 WeakPolarHBondContact CB-NE2 3.22Å; C192-H200 VanDerWaalsContact SG-CD2 3.52Å; C192-H200 PolarHBondContact SG-NE2 3.49Å
193R75.2Confident67.1Low223 Ų223118.4 Ų118.484%0.84258%0.577SS**THydrogen-bonded Turntrans-67.6-19.2-176.4-163.5167173.6116.5-4.8114.1V191V191-R193 PolarHBondContact O-N 2.96Å
194Y80.5Confident68.4Low74 Ų74119.3 Ų119.329%0.2957%0.572SS.*THydrogen-bonded Turntrans-96.8-55.3-179.2-60.4-81.7000111.7C192 S202 C205 K208C192-Y194 PolarHBondContact O-N 2.81Å; C192-Y194 PolarHBondContact SG-N 3.4Å; Y194-S202 VanDerWaalsContact CE2-O 3.27Å; Y194-S202 WeakPolarHBondContact CE2-O 3.33Å; Y194-C205 HydrophobicContact CD2-CB 3.85Å; Y194-C205 HydrophobicContact CG-CB 4.47Å; Y194-K208 HydrophobicContact CE1-CG 4.45Å; Y194-K208 HydrophobicContact CE2-CG 4.27Å
195C78.1Confident70Confident29 Ų29109 Ų10920%0.19654%0.535CS..THydrogen-bonded Turntrans-106.81.4-173.267.70000115.4C192 S197 H200 Y207C192-C195 VanDerWaalsContact SG-SG 3.66Å; C195-S197 PolarHBondContact O-N 3.18Å; C195-S197 PolarHBondContact SG-OG 3.4Å; C195-H200 PolarHBondContact SG-CE1 3.24Å; C195-H200 PolarHBondContact SG-NE2 3.41Å; C195-Y207 HydrophobicContact CB-CD2 3.58Å; C195-Y207 HydrophobicContact CB-CE2 4.28Å; C195-Y207 HydrophobicContact CB-CG 4.33Å
196K76.1Confident71.9Confident177 Ų177108.4 Ų108.477%0.7753%0.531SS*.  trans56.520.3179.6-56.3178.6-179176.60115.2V191 C192V191-K196 WeakPolarHBondContact CG1-O 3.31Å; C192-K196 VanDerWaalsContact O-CA 3.27Å; C192-K196 WeakPolarHBondContact O-CA 3.42Å; C192-K196 PolarHBondContact O-N 2.96Å
197S74.6Confident73.6Confident34 Ų34108 Ų10824%0.23852%0.516CS..  trans-87.2156.6172.473.50000111.4C192 C195 H200C192-S197 PolarHBondContact N-O 2.92Å; C195-S197 PolarHBondContact O-N 3.18Å; C195-S197 PolarHBondContact SG-OG 3.4Å; S197-H200 PolarHBondContact OG-CE1 3.38Å; S197-H200 PolarHBondContact OG-ND1 3.41Å
198T80.5Confident74.9Confident102 Ų102107.6 Ų107.663%0.62651%0.507SS*.SBendtrans-91.50.6-179.148.70000113.4V191V191-T198 HydrophobicContact CG1-CG2 3.89Å
199E77.7Confident75.9Confident177 Ų177108.4 Ų108.483%0.82751%0.51SS*.SBendtrans-93.8-13-168.7-98.4162.716100115.2
200H80.3Confident76.4Confident33 Ų33106.8 Ų106.815%0.15351%0.508CS..SBendtrans-150.1157.9-179.559.1-96.1000112.4C192 C195 S197 C205 P206C192-H200 WeakPolarHBondContact CB-NE2 3.22Å; C192-H200 VanDerWaalsContact SG-CD2 3.52Å; C192-H200 PolarHBondContact SG-NE2 3.49Å; C195-H200 PolarHBondContact SG-CE1 3.24Å; C195-H200 PolarHBondContact SG-NE2 3.41Å; S197-H200 PolarHBondContact OG-CE1 3.38Å; S197-H200 PolarHBondContact OG-ND1 3.41Å; H200-C205 VanDerWaalsContact CD2-CA 3.42Å; H200-C205 WeakPolarHBondContact CD2-CA 3.32Å; H200-C205 WeakPolarHBondContact NE2-CA 3.47Å; H200-C205 PolarHBondContact NE2-SG 2.81Å; H200-C205 VanDerWaalsContact NE2-SG 3.38Å; H200-P206 VanDerWaalsContact CE1-CD 3.43Å; H200-P206 WeakPolarHBondContact CE1-CD 3.22Å; H200-P206 WeakPolarHBondContact NE2-CD 3.32Å
201W78.2Confident76.4Confident190 Ų190103.6 Ų103.672%0.7250%0.497SS*.  trans-76.7152.9173.1-65.9-13.8000111.3T203 M204 C205W201-T203 PolarHBondContact O-N 3.26Å; W201-M204 CarbonylContact O-C 3.55Å; W201-M204 WeakPolarHBondContact O-CA 3.49Å; W201-M204 PolarHBondContact O-N 3.05Å; W201-C205 PolarHBondContact O-N 2.96Å
202S78.9Confident75.4Confident50 Ų50104.9 Ų104.935%0.3550%0.498SS..G310 helixtrans-57.5-20.6177.437.50000114.1Y194Y194-S202 VanDerWaalsContact CE2-O 3.27Å; Y194-S202 WeakPolarHBondContact CE2-O 3.33Å
203T79Confident74.3Confident112 Ų112111.8 Ų111.869%0.68753%0.533SS*.G310 helixtrans-77.4-19.517346.90000113.9W201W201-T203 PolarHBondContact O-N 3.26Å
204M75.8Confident72.6Confident144 Ų144109.7 Ų109.771%0.70953%0.533SS*.G310 helixtrans-119.229.5-175.2-67-76-7900111.2W201 P206W201-M204 CarbonylContact O-C 3.55Å; W201-M204 WeakPolarHBondContact O-CA 3.49Å; W201-M204 PolarHBondContact O-N 3.05Å; M204-P206 WeakPolarHBondContact O-CD 3.31Å
205C80.5Confident70.9Confident12 Ų12115.8 Ų115.88%0.08156%0.561CS.*  trans-76118.4-176.2-178.40000111.8Y194 H200 W201 Y207 K208Y194-C205 HydrophobicContact CD2-CB 3.85Å; Y194-C205 HydrophobicContact CG-CB 4.47Å; H200-C205 VanDerWaalsContact CD2-CA 3.42Å; H200-C205 WeakPolarHBondContact CD2-CA 3.32Å; H200-C205 WeakPolarHBondContact NE2-CA 3.47Å; H200-C205 PolarHBondContact NE2-SG 2.81Å; H200-C205 VanDerWaalsContact NE2-SG 3.38Å; W201-C205 PolarHBondContact O-N 2.96Å; C205-Y207 PolarHBondContact O-N 3.12Å; C205-Y207 VanDerWaalsContact O-N 3.11Å; C205-Y207 PolarHBondContact SG-N 3.17Å; C205-Y207 VanDerWaalsContact SG-N 3.39Å; C205-K208 HydrophobicContact CB-CB 4.24Å; C205-K208 VanDerWaalsContact O-CB 3.31Å; C205-K208 WeakPolarHBondContact O-CB 3.49Å; C205-K208 PolarHBondContact O-N 3.38Å; C205-K208 VanDerWaalsContact O-N 3.08Å
206P81.7Confident69Low94 Ų94120.5 Ų120.561%0.6159%0.591SS**THydrogen-bonded Turntrans-60.4-22.8175.9-19.631.6000113H200 M204H200-P206 VanDerWaalsContact CE1-CD 3.43Å; H200-P206 WeakPolarHBondContact CE1-CD 3.22Å; H200-P206 WeakPolarHBondContact NE2-CD 3.32Å; M204-P206 WeakPolarHBondContact O-CD 3.31Å
207Y77.7Confident66.9Low120 Ų120120 Ų12047%0.47160%0.597SS.*THydrogen-bonded Turntrans-100.812.8-178.9-50.9-73.4000113.3C195 C205 E209 L210 Y211C195-Y207 HydrophobicContact CB-CD2 3.58Å; C195-Y207 HydrophobicContact CB-CE2 4.28Å; C195-Y207 HydrophobicContact CB-CG 4.33Å; C205-Y207 PolarHBondContact O-N 3.12Å; C205-Y207 VanDerWaalsContact O-N 3.11Å; C205-Y207 PolarHBondContact SG-N 3.17Å; C205-Y207 VanDerWaalsContact SG-N 3.39Å; Y207-E209 VanDerWaalsContact C-N 3.28Å; Y207-E209 PolarHBondContact O-N 3.02Å; Y207-L210 HydrophobicContact CD1-CD1 4.41Å; Y207-L210 PolarHBondContact O-N 3.14Å; Y207-L210 VanDerWaalsContact O-N 3.14Å; Y207-Y211 WeakPolarHBondContact O-CD2 3.38Å; Y207-Y211 PolarHBondContact O-N 3.26Å
208K74.7Confident65.2Low86 Ų86127.8 Ų127.837%0.37463%0.63SS.*Hα-helixtrans-55.1-43.8-175.6-176-177.5172.5-160.10111.9Y194 C205 Y211 E212Y194-K208 HydrophobicContact CE1-CG 4.45Å; Y194-K208 HydrophobicContact CE2-CG 4.27Å; C205-K208 HydrophobicContact CB-CB 4.24Å; C205-K208 VanDerWaalsContact O-CB 3.31Å; C205-K208 WeakPolarHBondContact O-CB 3.49Å; C205-K208 PolarHBondContact O-N 3.38Å; C205-K208 VanDerWaalsContact O-N 3.08Å; K208-Y211 PolarHBondContact O-N 3.34Å; K208-E212 WeakPolarHBondContact CE-OE1 3.04Å; K208-E212 PolarHBondContact O-N 3.11Å
209E68.4Low63.3Low170 Ų170127.5 Ų127.579%0.79464%0.637SS**Hα-helixtrans-71.7-27.1-179.6-62.5-166.7168.100113.6Y207 Y211Y207-E209 VanDerWaalsContact C-N 3.28Å; Y207-E209 PolarHBondContact O-N 3.02Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 3.49Å
210L66.1Low61.5Low124 Ų124124.8 Ų124.865%0.64964%0.635SS**Hα-helixtrans-74.3-23.2177.7-84.7104.4000113.6Y207Y207-L210 HydrophobicContact CD1-CD1 4.41Å; Y207-L210 PolarHBondContact O-N 3.14Å; Y207-L210 VanDerWaalsContact O-N 3.14Å
211Y63.7Low59.4Low145 Ų145130.2 Ų130.257%0.56967%0.671SS**Hα-helixtrans-103.3-3.4180-71.7-77.6000112.8Y207 K208 E209 I213Y207-Y211 WeakPolarHBondContact O-CD2 3.38Å; Y207-Y211 PolarHBondContact O-N 3.26Å; K208-Y211 PolarHBondContact O-N 3.34Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 3.49Å; Y211-I213 VanDerWaalsContact C-N 3.25Å; Y211-I213 PolarHBondContact O-N 3.39Å; Y211-I213 VanDerWaalsContact O-N 3.17Å
212E57.7Low57.3Low105 Ų105125.9 Ų125.949%0.49168%0.676SS.*  trans-83.666.8166.8-80.1176.3176.800109.9K208 E214K208-E212 WeakPolarHBondContact CE-OE1 3.04Å; K208-E212 PolarHBondContact O-N 3.11Å; E212-E214 PolarHBondContact O-N 3.08Å
213I54.6Low55.1Low146 Ų146126.6 Ų126.675%0.74969%0.691SS**  trans-86.198.3169.3-59.9174.8000108.5Y211Y211-I213 VanDerWaalsContact C-N 3.25Å; Y211-I213 PolarHBondContact O-N 3.39Å; Y211-I213 VanDerWaalsContact O-N 3.17Å
214E39.7Very low53Low179 Ų179128 Ų12884%0.83670%0.7SS**  trans19104.2151.6-60.8-179.8163.800118.1E212E212-E214 PolarHBondContact O-N 3.08Å
215K44.2Very low51Low203 Ų203130 Ų13088%0.88371%0.707SS**PPolyproline II helixtrans-83.6131.3150.6-82.2-176.2175.41800108.6
216P39Very low48.8Very low128 Ų128134.5 Ų134.583%0.83175%0.745SS**PPolyproline II helixtrans-70.6148.3-175.129.5-34.9000113
217N31.5Very low46.4Very low167 Ų167133.8 Ų133.889%0.89375%0.747SS**PPolyproline II helixtrans-48.9130178.9-84.6-38.3000115.8
218E39.9Very low44.3Very low197 Ų197135.2 Ų135.292%0.92176%0.763SS**  trans-130.5135.4143.5-79.4-175.6150.100108.8
219A40Very low42.3Very low95 Ų95138.1 Ų138.179%0.78579%0.788SS**  trans-81.1171.6-153.500000115
220P39.5Very low40.5Very low121 Ų121136.8 Ų136.879%0.78679%0.786SS**  trans-91.2156.4-154.436.9-33.8000113.3
221T37.1Very low39.1Very low146 Ų146135.7 Ų135.790%0.89679%0.789SS**  trans-137.2115.5158.1-470000109.2
222A33.4Very low37.7Very low100 Ų100132.7 Ų132.783%0.82680%0.802SS**  trans-75.9156.4-175.500000112.2
223G33.9Very low36.8Very low65 Ų65136.3 Ų136.367%0.6782%0.823SS**  trans118.897.8141.800000116.5
224T33.9Very low36Very low142 Ų142132.6 Ų132.687%0.87182%0.821SS**  126.6124.8117.1-410000113.7
225Q34.9Very low36.3Very low186 Ų186134.2 Ų134.287%0.86983%0.825SS**  trans-67149177.2-57.2159.619.100110.8
226A34.2Very low35.9Very low105 Ų105131.2 Ų131.287%0.86882%0.824SS**  trans-174.2147.9130.800000110.7
227A30Very low36.3Very low80 Ų80129 Ų12966%0.66182%0.824SS**  trans-67.4161.1-173.500000115
228D33.4Very low37.5Very low150 Ų150127.3 Ų127.380%0.80282%0.82SS**  trans38.9110.1140-52.5-24.3000118.5
229T34Very low39Very low146 Ų146125.9 Ų125.990%0.89681%0.807SS**  -171.6125.71173.30000112.6
230D30.7Very low40.1Very low142 Ų142124.5 Ų124.576%0.75979%0.788SS**  trans17.6142.3140.5-158.735.5000123.3
231S35Very low40.8Very low102 Ų102121 Ų12171%0.71377%0.766SS**  trans74.8115.8150.7-75.60000121.3
232G35.5Very low42.1Very low81 Ų81118.4 Ų118.484%0.83575%0.751SS**  trans17994.5166.100000114.9
233I37.7Very low43.1Very low181 Ų181120.7 Ų120.793%0.92875%0.748SS**  trans-77143.4-172.1-71.8150.8000114
234G39.4Very low44.3Very low68 Ų68122.3 Ų122.370%0.70174%0.741SS**  trans125.5124.2155.200000114.3
235K45.1Very low45.8Very low213 Ų213123.6 Ų123.693%0.92673%0.73SS**  cis-134.9141.914.5-73.1170.1174.71740109.5
236T36.2Very low46.9Very low141 Ų141118.1 Ų118.187%0.86572%0.724SS**  trans-79.1137.8-167.549.50000113.9
237G46.7Very low47.5Very low80 Ų80117.5 Ų117.583%0.82571%0.705SS**  115.42.3125.800000121.5
238V57.4Low47.9Very low133 Ų133116.4 Ų116.481%0.80670%0.701SS**  trans-99.4113.1179-174.30000111.5V240V238-V240 PolarHBondContact O-N 3.26Å
239Y70.5Confident48.8Very low167 Ų167115 Ų11566%0.65571%0.71SS**  trans-59.7117.3169.9172.8-98.3000110.2P241 P242Y239-P241 HydrophobicContact CD1-CB 4.45Å; Y239-P241 HydrophobicContact CE1-CB 3.84Å; Y239-P241 WeakPolarHBondContact O-CD 3.36Å; Y239-P242 WeakPolarHBondContact OH-CD 3.25Å
240V63.2Low49.2Very low65 Ų65111.1 Ų111.139%0.39470%0.7SS.*  trans-90.5111.8171.6-177.30000108.4V238 L244 R245V238-V240 PolarHBondContact O-N 3.26Å; V240-L244 HydrophobicContact CG1-CB 3.66Å; V240-R245 HydrophobicContact CG1-CG 4.33Å; V240-R245 PolarHBondContact O-NE 2.8Å; V240-R245 PolarHBondContact O-NH2 3.36Å
241P54.4Low50Low48 Ų48105.5 Ų105.531%0.31268%0.675SS.*  trans-62.7150.9-177.626.2-34.3000110.8Y239 I243 L244 R245Y239-P241 HydrophobicContact CD1-CB 4.45Å; Y239-P241 HydrophobicContact CE1-CB 3.84Å; Y239-P241 WeakPolarHBondContact O-CD 3.36Å; P241-I243 PolarHBondContact O-N 3.38Å; P241-L244 HydrophobicContact CG-CB 4.35Å; P241-L244 HydrophobicContact CG-CD1 3.75Å; P241-L244 HydrophobicContact CG-CG 4.45Å; P241-L244 PolarHBondContact O-N 3.45Å; P241-R245 PolarHBondContact O-N 2.79Å
242P63.7Low50.7Low92 Ų92109.3 Ų109.360%0.59768%0.679SS**THydrogen-bonded Turntrans-53-27.4-174.8-28.634.6000114.8Y239 L244 R245Y239-P242 WeakPolarHBondContact OH-CD 3.25Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.26Å; P242-R245 PolarHBondContact O-N 2.86Å
243I55.4Low51.4Low148 Ų148109.3 Ų109.376%0.75967%0.666SS**THydrogen-bonded Turntrans-67.3-24.5177.1-68.8167.5000112.5P241P241-I243 PolarHBondContact O-N 3.38Å
244L59.8Low52.1Low99 Ų99105.4 Ų105.452%0.51865%0.65SS.*THydrogen-bonded Turntrans-101.8-9.4-178.1-82.3160000113.1V240 P241 P242 G246V240-L244 HydrophobicContact CG1-CB 3.66Å; P241-L244 HydrophobicContact CG-CB 4.35Å; P241-L244 HydrophobicContact CG-CD1 3.75Å; P241-L244 HydrophobicContact CG-CG 4.45Å; P241-L244 PolarHBondContact O-N 3.45Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.26Å; L244-G246 PolarHBondContact O-N 3.43Å
245R64.9Low52.6Low168 Ų168107.1 Ų107.163%0.63464%0.643SS**THydrogen-bonded Turntrans-81.783.5177.3-114.1-178.5-79.5-156.4-3.5109.8V240 P241 P242V240-R245 HydrophobicContact CG1-CG 4.33Å; V240-R245 PolarHBondContact O-NE 2.8Å; V240-R245 PolarHBondContact O-NH2 3.36Å; P241-R245 PolarHBondContact O-N 2.79Å; P242-R245 PolarHBondContact O-N 2.86Å
246G56.9Low52.9Low72 Ų72100 Ų10074%0.74262%0.615SS**THydrogen-bonded Turntrans137.6-6.817800000114.8L244 G248L244-G246 PolarHBondContact O-N 3.43Å; G246-G248 VanDerWaalsContact C-N 3.33Å; G246-G248 PolarHBondContact O-N 2.89Å
247L46.8Very low53.9Low92 Ų9296.5 Ų96.548%0.48259%0.594SS.*  trans-79.587.2169.4-92.968000108.8
248G39.9Very low54.2Low56 Ų5696.9 Ų96.958%0.57758%0.576SS**  trans-53.1165.5154.300000110.5G246 G250 G251G246-G248 VanDerWaalsContact C-N 3.33Å; G246-G248 PolarHBondContact O-N 2.89Å; G248-G250 PolarHBondContact O-N 3.04Å; G248-G251 PolarHBondContact O-N 3.46Å
249A51.3Low54.1Low120 Ų12096 Ų9699%0.99256%0.563SS**THydrogen-bonded Turntrans-54.111.2-167.400000118.8
250G43Very low53.3Low66 Ų6695.4 Ų95.468%0.6856%0.56SS**THydrogen-bonded Turntrans-105.26.3173.300000115.9G248 K252G248-G250 PolarHBondContact O-N 3.04Å; G250-K252 PolarHBondContact O-N 3.35Å
251G46.8Very low53.1Low23 Ų2396.7 Ų96.724%0.23756%0.558CS.*THydrogen-bonded Turntrans-67.20.9-172.600000118.1G248 S253G248-G251 PolarHBondContact O-N 3.46Å; G251-S253 VanDerWaalsContact C-N 3.26Å; G251-S253 PolarHBondContact O-N 3.46Å
252K49.2Very low53.8Low183 Ų18399.5 Ų99.580%0.79657%0.57SS**Hα-helixtrans-67.5-24.2-179.7-64.8-177178.9179.90113.2G250 D256G250-K252 PolarHBondContact O-N 3.35Å; K252-D256 WeakPolarHBondContact O-CB 3.34Å; K252-D256 PolarHBondContact O-N 2.95Å
253S50.8Low54.4Low81 Ų81101 Ų10157%0.56657%0.569SS**Hα-helixtrans-71.5-35-176.7-1790000113.9G251 D256 T257G251-S253 VanDerWaalsContact C-N 3.26Å; G251-S253 PolarHBondContact O-N 3.46Å; S253-D256 PolarHBondContact O-N 3.11Å; S253-T257 PolarHBondContact O-N 3.38Å; S253-T257 PolarHBondContact O-OG1 2.9Å
254V52.2Low56Low98 Ų9895.3 Ų95.359%0.59454%0.54SS*.Hα-helixtrans-75.8-32-179.7-177.10000111.6
255L50.9Low57.6Low105 Ų10591.5 Ų91.555%0.5552%0.521SS..Hα-helixtrans-72.1-40.6173-168.865.4000111.3T257 L258 Q259L255-T257 VanDerWaalsContact C-N 3.28Å; L255-T257 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.46Å; L255-L258 VanDerWaalsContact O-N 3.1Å; L255-Q259 PolarHBondContact O-N 3.42Å
256D51.6Low59Low63 Ų6383.5 Ų83.534%0.33749%0.491SS..Hα-helixtrans-61.7-36.2175.1-165.957.8000111.8K252 S253 L258 Q259 R260K252-D256 WeakPolarHBondContact O-CB 3.34Å; K252-D256 PolarHBondContact O-N 2.95Å; S253-D256 PolarHBondContact O-N 3.11Å; D256-L258 PolarHBondContact O-N 2.77Å; D256-Q259 PolarHBondContact O-N 2.7Å; D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 IonicContact OD2-CZ 3.11Å; D256-R260 IonicContact OD2-NE 3.84Å; D256-R260 PolarHBondContact OD2-NE 3.17Å; D256-R260 IonicContact OD2-NH2 3.21Å; D256-R260 PolarHBondContact OD2-NH2 3.45Å; D256-R260 VanDerWaalsContact OD2-NH2 3.13Å
257T55.5Low60.8Low67 Ų6784 Ų8441%0.41147%0.47SS..Hα-helixtrans-69.2-20.3177.7-48.80000113S253 L255 R261S253-T257 PolarHBondContact O-N 3.38Å; S253-T257 PolarHBondContact O-OG1 2.9Å; L255-T257 VanDerWaalsContact C-N 3.28Å; L255-T257 PolarHBondContact O-N 3.43Å; T257-R261 WeakPolarHBondContact O-CG 3.39Å; T257-R261 PolarHBondContact O-NE 3.49Å
258L54.3Low63.1Low88 Ų8879.6 Ų79.646%0.46145%0.447SS..Hα-helixtrans-87.4-38.8172.5-70.4171000111.1L255 D256 R261L255-L258 PolarHBondContact O-N 3.46Å; L255-L258 VanDerWaalsContact O-N 3.1Å; D256-L258 PolarHBondContact O-N 2.77Å; L258-R261 WeakPolarHBondContact O-CB 3.45Å; L258-R261 PolarHBondContact O-N 3.45Å
259Q54Low65.7Low114 Ų11478 Ų7853%0.53343%0.426SS..Hα-helixtrans-68.1-37.7178.3-71.7178.2-47.700112.8L255 D256 R261 D262L255-Q259 PolarHBondContact O-N 3.42Å; D256-Q259 PolarHBondContact O-N 2.7Å; Q259-R261 PolarHBondContact O-N 3.29Å; Q259-R261 VanDerWaalsContact O-N 3.16Å; Q259-D262 PolarHBondContact O-N 3.45Å
260R53.9Low67.7Low156 Ų15676 Ų7659%0.58940%0.399SS*.Hα-helixtrans-63.9-18.1174-72.1-173.1-168.6-138.50.6114.2D256D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 IonicContact OD2-CZ 3.11Å; D256-R260 IonicContact OD2-NE 3.84Å; D256-R260 PolarHBondContact OD2-NE 3.17Å; D256-R260 IonicContact OD2-NH2 3.21Å; D256-R260 PolarHBondContact OD2-NH2 3.45Å; D256-R260 VanDerWaalsContact OD2-NH2 3.13Å
261R59.6Low70Confident91 Ų9173.3 Ų73.334%0.34337%0.369SS..Hα-helixtrans-74.2-31.7-179.3-70.2175.4-165.7-161-1.5111.6T257 L258 Q259 E263 N264 T265 R292T257-R261 WeakPolarHBondContact O-CG 3.39Å; T257-R261 PolarHBondContact O-NE 3.49Å; L258-R261 WeakPolarHBondContact O-CB 3.45Å; L258-R261 PolarHBondContact O-N 3.45Å; Q259-R261 PolarHBondContact O-N 3.29Å; Q259-R261 VanDerWaalsContact O-N 3.16Å; R261-E263 VanDerWaalsContact C-N 3.33Å; R261-N264 PolarHBondContact O-N 2.84Å; R261-T265 WeakPolarHBondContact O-CG2 3Å; R261-R292 VanDerWaalsContact NH1-NH1 3.16Å; R261-R292 VanDerWaalsContact NH1-NH2 3.14Å
262D69.1Low72.1Confident108 Ų10872.4 Ų72.458%0.57836%0.359SS*.Hα-helixtrans-69.9-32.6-178.3-65.2-24.2000111.2Q259 N264 T265Q259-D262 PolarHBondContact O-N 3.45Å; D262-N264 PolarHBondContact O-N 3.41Å; D262-N264 VanDerWaalsContact O-N 3.11Å; D262-T265 PolarHBondContact O-N 3.14Å; D262-T265 PolarHBondContact O-OG1 3.29Å
263E77.5Confident74Confident123 Ų12368.7 Ų68.758%0.57535%0.345SS*.THydrogen-bonded Turntrans-62.5-20.8175.6-61.8-178.4170.600114.1R261 R315 W339R261-E263 VanDerWaalsContact C-N 3.33Å; E263-R315 PolarHBondContact O-NH1 3.31Å; E263-W339 VanDerWaalsContact O-CZ3 3.27Å; E263-W339 WeakPolarHBondContact O-CZ3 3.35Å
264N89Confident75.7Confident28 Ų2871.7 Ų71.715%0.1535%0.354CS..THydrogen-bonded Turntrans-106.116.9179.5-60.8-12.3000112.1R261 D262 Y312 R315R261-N264 PolarHBondContact O-N 2.84Å; D262-N264 PolarHBondContact O-N 3.41Å; D262-N264 VanDerWaalsContact O-N 3.11Å; N264-Y312 WeakPolarHBondContact CB-O 3.45Å; N264-Y312 PolarHBondContact O-N 3.21Å; N264-R315 WeakPolarHBondContact OD1-CB 3.4Å
265T92.3Very high77.6Confident19 Ų1967.5 Ų67.512%0.11733%0.328CS..EExtended strand (participates in β ladder)trans-96.6136.317957.50000112.9R261 D262 I310 A340R261-T265 WeakPolarHBondContact O-CG2 3Å; D262-T265 PolarHBondContact O-N 3.14Å; D262-T265 PolarHBondContact O-OG1 3.29Å; T265-I310 WeakPolarHBondContact CA-O 3.23Å; T265-A340 PolarHBondContact O-N 2.76Å; T265-A340 VanDerWaalsContact O-N 3.1Å; T265-A340 WeakPolarHBondContact OG1-CB 3.26Å
266V94.2Very high79.5Confident0 Ų064.6 Ų64.60%032%0.317CS..EExtended strand (participates in β ladder)trans-113132.2178.4-179.80000108.3F309 I310 Y312 A318 I322 V337 E338V266-F309 WeakPolarHBondContact O-CA 3.3Å; V266-I310 PolarHBondContact N-O 2.66Å; V266-I310 PolarHBondContact O-N 3.33Å; V266-Y312 HydrophobicContact CG2-CD2 4.09Å; V266-Y312 HydrophobicContact CG2-CE2 4.14Å; V266-A318 HydrophobicContact CG2-CB 3.59Å; V266-I322 HydrophobicContact CG1-CG1 4.13Å; V266-I322 HydrophobicContact CG2-CD1 4.43Å; V266-I322 HydrophobicContact CG2-CG1 4.42Å; V266-V337 HydrophobicContact CG1-CG1 3.15Å; V266-E338 CarbonylContact C-O 3.55Å; V266-E338 WeakPolarHBondContact CA-O 3.32Å; V266-E338 WeakPolarHBondContact CG1-O 3.48Å
267R94.8Very high81.4Confident82 Ų8265.5 Ų65.531%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-96.5123.5173.4-171.9-177.577.5114.70.7109.4T269 F309 E338 A340R267-T269 HydrophobicContact CG-CG2 4.34Å; R267-T269 VanDerWaalsContact CZ-CG2 3.46Å; R267-T269 VanDerWaalsContact NH1-CG2 3.3Å; R267-F309 HydrophobicContact CB-CD1 4.12Å; R267-F309 HydrophobicContact CB-CE1 3.93Å; R267-F309 HydrophobicContact CG-CD1 4.19Å; R267-F309 HydrophobicContact CG-CE1 3.72Å; R267-F309 HydrophobicContact CG-CZ 4.18Å; R267-E338 IonicContact CZ-OE2 2.64Å; R267-E338 PolarHBondContact N-O 2.97Å; R267-E338 IonicContact NE-OE2 2.77Å; R267-E338 IonicContact NH2-OE2 3.78Å; R267-E338 PolarHBondContact NH2-OE2 2.83Å; R267-E338 PolarHBondContact O-N 2.76Å; R267-A340 HydrophobicContact CB-CB 4.41Å
268V94.8Very high83.2Confident0 Ų067.5 Ų67.50%033%0.327CS..EExtended strand (participates in β ladder)trans-106.9131.6176.6-169.30000108.3L271 F284 Y307 A308 I310 V337V268-L271 HydrophobicContact CB-CD1 4.3Å; V268-L271 HydrophobicContact CG1-CD1 4.15Å; V268-L271 HydrophobicContact CG1-CD2 3.8Å; V268-L271 HydrophobicContact CG1-CG 4.02Å; V268-F284 HydrophobicContact CB-CZ 4.23Å; V268-F284 HydrophobicContact CG1-CE2 4.3Å; V268-F284 HydrophobicContact CG1-CZ 3.91Å; V268-F284 HydrophobicContact CG2-CE1 3.76Å; V268-F284 HydrophobicContact CG2-CE2 3.91Å; V268-F284 HydrophobicContact CG2-CZ 3.24Å; V268-Y307 CarbonylContact O-C 3.53Å; V268-Y307 WeakPolarHBondContact O-CA 3.39Å; V268-Y307 WeakPolarHBondContact O-CB 3.31Å; V268-A308 PolarHBondContact N-O 2.93Å; V268-A308 PolarHBondContact O-N 3.2Å; V268-I310 HydrophobicContact CG2-CD1 3.81Å; V268-I310 HydrophobicContact CG2-CG1 4.3Å; V268-V337 HydrophobicContact CG1-CG2 4.39Å
269T94.3Very high85Confident22 Ų2265.3 Ų65.314%0.13532%0.317CS..EExtended strand (participates in β ladder)trans-128.6162.7-179.653.10000110.9R267 K336R267-T269 HydrophobicContact CG-CG2 4.34Å; R267-T269 VanDerWaalsContact CZ-CG2 3.46Å; R267-T269 VanDerWaalsContact NH1-CG2 3.3Å; T269-K336 PolarHBondContact N-O 2.82Å; T269-K336 PolarHBondContact O-N 2.82Å; T269-K336 VanDerWaalsContact O-N 3.09Å; T269-K336 WeakPolarHBondContact OG1-CB 3.19Å; T269-K336 PolarHBondContact OG1-O 3.01Å; T269-K336 VanDerWaalsContact OG1-O 3.06Å
270N93.3Very high86.9Confident79 Ų7959.9 Ų59.942%0.42229%0.292SS..SBendtrans66.342-177.5-157.339.2000113G306 I334 L335N270-G306 PolarHBondContact N-O 3.05Å; N270-G306 VanDerWaalsContact N-O 3.08Å; N270-I334 PolarHBondContact ND2-O 3.29Å; N270-L335 WeakPolarHBondContact O-CD2 3.3Å
271L92.9Very high88.8Confident9 Ų958.3 Ų58.35%0.04729%0.29CS..  trans-84.8144.7176.1-67.4167.2000111.2V268 I275 L280 L295 G306 A308 L335V268-L271 HydrophobicContact CB-CD1 4.3Å; V268-L271 HydrophobicContact CG1-CD1 4.15Å; V268-L271 HydrophobicContact CG1-CD2 3.8Å; V268-L271 HydrophobicContact CG1-CG 4.02Å; L271-I275 HydrophobicContact CB-CG2 4.14Å; L271-I275 HydrophobicContact CD2-CD1 3.64Å; L271-L280 HydrophobicContact CD1-CD1 4.48Å; L271-L280 HydrophobicContact CD1-CD2 4.43Å; L271-L280 HydrophobicContact CD2-CD2 3.84Å; L271-L295 HydrophobicContact CD1-CD1 4.37Å; L271-G306 PolarHBondContact N-O 2.84Å; L271-A308 HydrophobicContact CD1-CB 3.58Å; L271-L335 HydrophobicContact CD2-CD2 3.63Å; L271-L335 HydrophobicContact CG-CD2 4.45Å
272P90.6Very high90.3Very high5 Ų561.1 Ų61.13%0.03231%0.307CS..  trans-64.4152.7173.919.7-22.5000111.6D274 I275 E331 L333P272-D274 PolarHBondContact O-N 2.98Å; P272-I275 HydrophobicContact CG-CB 4.06Å; P272-I275 WeakPolarHBondContact O-CG2 3.17Å; P272-I275 PolarHBondContact O-N 3.22Å; P272-E331 WeakPolarHBondContact CB-OE2 3.43Å; P272-L333 HydrophobicContact CB-CD1 3.92Å; P272-L333 HydrophobicContact CG-CD1 4.5Å
273E88.1Confident91.5Very high105 Ų10557.5 Ų57.549%0.49129%0.287SS..THydrogen-bonded Turntrans-61-32.4-179.9-66-172.7-170.300112.3I275 R303 C304E273-I275 VanDerWaalsContact C-N 3.35Å; E273-R303 WeakPolarHBondContact OE2-CD 3.46Å; E273-R303 IonicContact OE2-CZ 2.8Å; E273-R303 IonicContact OE2-NH1 3.97Å; E273-R303 PolarHBondContact OE2-NH1 3.48Å; E273-C304 WeakPolarHBondContact O-CB 3.31Å; E273-C304 PolarHBondContact O-N 3.08Å; E273-C304 PolarHBondContact O-SG 2.82Å; E273-C304 VanDerWaalsContact O-SG 3.38Å
274D87.5Confident92.2Very high143 Ų14351.7 Ų51.777%0.76526%0.26SS*.THydrogen-bonded Turntrans-88.24.6-175.5-63.7-35.4000113.8P272 S276P272-D274 PolarHBondContact O-N 2.98Å; D274-S276 PolarHBondContact O-N 2.85Å
275I90.8Very high92.4Very high10 Ų1053.9 Ų53.95%0.05128%0.277CS..  trans-67.6136.6-176.5-154.5172.7000112.3L271 P272 E273 T279 L280 L295 C304L271-I275 HydrophobicContact CB-CG2 4.14Å; L271-I275 HydrophobicContact CD2-CD1 3.64Å; P272-I275 HydrophobicContact CG-CB 4.06Å; P272-I275 WeakPolarHBondContact O-CG2 3.17Å; P272-I275 PolarHBondContact O-N 3.22Å; E273-I275 VanDerWaalsContact C-N 3.35Å; I275-T279 HydrophobicContact CG1-CG2 4.35Å; I275-L280 HydrophobicContact CD1-CD2 3.63Å; I275-L280 HydrophobicContact CD1-CG 3.77Å; I275-L280 HydrophobicContact CG1-CG 4.32Å; I275-L295 HydrophobicContact CG2-CD1 4.08Å; I275-L295 HydrophobicContact CG2-CD2 4.21Å; I275-L295 WeakPolarHBondContact O-CD2 3.5Å; I275-C304 HydrophobicContact CG2-CB 4.4Å; I275-C304 PolarHBondContact O-SG 2.79Å
276S90.5Very high92.4Very high44 Ų4456.8 Ų56.831%0.30830%0.299SS..  trans-97.5158.9174.781.10000112.4D274 D278 T279 L280D274-S276 PolarHBondContact O-N 2.85Å; S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 PolarHBondContact OG-N 3.01Å; S276-T279 PolarHBondContact O-N 3.21Å; S276-T279 PolarHBondContact OG-N 3.39Å; S276-T279 VanDerWaalsContact OG-N 3.11Å; S276-T279 PolarHBondContact OG-OG1 2.88Å; S276-L280 PolarHBondContact O-N 2.84Å
277E92Very high92.2Very high82 Ų8257 Ų5738%0.38330%0.301SS..Hα-helixtrans-64.5-31.9174.3-71.1169.3-142.500111.7L280 K281 L295 K297E277-L280 PolarHBondContact O-N 2.83Å; E277-K281 WeakPolarHBondContact O-CB 3.29Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-L295 HydrophobicContact CG-CB 3.77Å; E277-L295 HydrophobicContact CG-CD2 3.81Å; E277-L295 HydrophobicContact CG-CG 4.47Å; E277-K297 IonicContact OE1-NZ 2.83Å; E277-K297 PolarHBondContact OE1-NZ 2.97Å
278D93Very high92Very high110 Ų11054 Ų5459%0.58829%0.294SS*.Hα-helixtrans-67.8-42.7177.5-63.5-52.7000111.4S276 L280 K281 E282S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 PolarHBondContact OG-N 3.01Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.38Å; D278-K281 WeakPolarHBondContact O-CB 3.35Å; D278-K281 PolarHBondContact O-N 3.34Å; D278-K281 VanDerWaalsContact O-N 3.11Å; D278-E282 WeakPolarHBondContact O-CG 3.45Å; D278-E282 PolarHBondContact O-N 3.45Å
279T92.5Very high91.9Very high41 Ų4163.2 Ų63.225%0.25233%0.329SS..Hα-helixtrans-61.1-43.2175-48.30000111.4I275 S276 K281 E282 L283I275-T279 HydrophobicContact CG1-CG2 4.35Å; S276-T279 PolarHBondContact O-N 3.21Å; S276-T279 PolarHBondContact OG-N 3.39Å; S276-T279 VanDerWaalsContact OG-N 3.11Å; S276-T279 PolarHBondContact OG-OG1 2.88Å; T279-K281 VanDerWaalsContact C-N 3.31Å; T279-K281 PolarHBondContact O-N 3.42Å; T279-E282 PolarHBondContact O-N 3.01Å; T279-L283 HydrophobicContact CG2-CD1 4.22Å; T279-L283 WeakPolarHBondContact O-CG 3.21Å; T279-L283 PolarHBondContact O-N 2.74Å
280L93.2Very high91.8Very high0 Ų063.7 Ų63.70%033%0.332CS..Hα-helixtrans-61.7-41.4174-76.5174.3000111.6L271 I275 S276 E277 D278 E282 L283 F284 I293 L295 A308L271-L280 HydrophobicContact CD1-CD1 4.48Å; L271-L280 HydrophobicContact CD1-CD2 4.43Å; L271-L280 HydrophobicContact CD2-CD2 3.84Å; I275-L280 HydrophobicContact CD1-CD2 3.63Å; I275-L280 HydrophobicContact CD1-CG 3.77Å; I275-L280 HydrophobicContact CG1-CG 4.32Å; S276-L280 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 2.83Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.38Å; L280-E282 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.14Å; L280-L283 PolarHBondContact O-N 2.97Å; L280-F284 HydrophobicContact CD2-CD2 4.15Å; L280-F284 HydrophobicContact CD2-CE2 3.85Å; L280-F284 WeakPolarHBondContact O-CB 3.28Å; L280-F284 VanDerWaalsContact O-CD2 3.31Å; L280-F284 WeakPolarHBondContact O-CD2 3.36Å; L280-F284 PolarHBondContact O-N 2.86Å; L280-I293 HydrophobicContact CB-CG2 4.48Å; L280-I293 HydrophobicContact CD1-CG2 4.33Å; L280-L295 HydrophobicContact CD1-CD1 3.97Å; L280-L295 HydrophobicContact CD1-CD2 4.35Å; L280-A308 HydrophobicContact CD1-CB 3.81Å
281K93.7Very high91.7Very high123 Ų12365 Ų6554%0.53534%0.337SS..Hα-helixtrans-61.2-44.5177.8-170.3-179.8175.9-172.40111.4E277 D278 T279 S285 I293E277-K281 WeakPolarHBondContact O-CB 3.29Å; E277-K281 PolarHBondContact O-N 3.2Å; D278-K281 WeakPolarHBondContact O-CB 3.35Å; D278-K281 PolarHBondContact O-N 3.34Å; D278-K281 VanDerWaalsContact O-N 3.11Å; T279-K281 VanDerWaalsContact C-N 3.31Å; T279-K281 PolarHBondContact O-N 3.42Å; K281-S285 WeakPolarHBondContact O-CB 3.31Å; K281-S285 PolarHBondContact O-N 3.36Å; K281-I293 HydrophobicContact CB-CD1 3.59Å; K281-I293 HydrophobicContact CG-CD1 4.03Å
282E93Very high91.6Very high151 Ų15171.6 Ų71.671%0.70636%0.361SS*.Hα-helixtrans-63.1-48.9177.7-71.5177.9-178.600112.1D278 T279 L280 S285D278-E282 WeakPolarHBondContact O-CG 3.45Å; D278-E282 PolarHBondContact O-N 3.45Å; T279-E282 PolarHBondContact O-N 3.01Å; L280-E282 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.14Å; E282-S285 PolarHBondContact O-N 2.91Å
283L92.7Very high91.8Very high31 Ų3173.3 Ų73.316%0.16237%0.37CS..Hα-helixtrans-61-48.9179.8-70.2171.7000111.9T279 L280 S286 F328T279-L283 HydrophobicContact CG2-CD1 4.22Å; T279-L283 WeakPolarHBondContact O-CG 3.21Å; T279-L283 PolarHBondContact O-N 2.74Å; L280-L283 PolarHBondContact O-N 2.97Å; L283-S286 WeakPolarHBondContact O-CB 3.3Å; L283-S286 PolarHBondContact O-N 2.81Å; L283-S286 PolarHBondContact O-OG 2.9Å; L283-F328 HydrophobicContact CD2-CE1 3.91Å; L283-F328 HydrophobicContact CD2-CZ 4.42Å
284F93.7Very high92Very high1 Ų174.6 Ų74.60%0.00437%0.374CS..Hα-helixtrans-81.6-13.5-175.8-77.4-91.7000113.5V268 L280 S286 A287 V290 I310 Y312 A321 L325 V337V268-F284 HydrophobicContact CB-CZ 4.23Å; V268-F284 HydrophobicContact CG1-CE2 4.3Å; V268-F284 HydrophobicContact CG1-CZ 3.91Å; V268-F284 HydrophobicContact CG2-CE1 3.76Å; V268-F284 HydrophobicContact CG2-CE2 3.91Å; V268-F284 HydrophobicContact CG2-CZ 3.24Å; L280-F284 HydrophobicContact CD2-CD2 4.15Å; L280-F284 HydrophobicContact CD2-CE2 3.85Å; L280-F284 WeakPolarHBondContact O-CB 3.28Å; L280-F284 VanDerWaalsContact O-CD2 3.31Å; L280-F284 WeakPolarHBondContact O-CD2 3.36Å; L280-F284 PolarHBondContact O-N 2.86Å; F284-S286 PolarHBondContact O-N 2.79Å; F284-A287 PolarHBondContact O-N 2.67Å; F284-V290 HydrophobicContact CB-CG2 4.13Å; F284-I310 HydrophobicContact CB-CD1 3.99Å; F284-I310 HydrophobicContact CB-CG2 4.49Å; F284-I310 HydrophobicContact CD1-CD1 3.56Å; F284-I310 HydrophobicContact CD2-CD1 3.27Å; F284-I310 HydrophobicContact CE1-CD1 3.82Å; F284-I310 HydrophobicContact CE2-CD1 3.54Å; F284-I310 HydrophobicContact CG-CD1 3.29Å; F284-I310 HydrophobicContact CZ-CD1 3.82Å; F284-Y312 WeakPolarHBondContact CB-OH 3.23Å; F284-Y312 HydrophobicContact CD1-CE2 4.48Å; F284-Y312 VanDerWaalsContact CD1-OH 3.31Å; F284-Y312 WeakPolarHBondContact CD1-OH 3.4Å; F284-Y312 PolarHBondContact O-OH 3.12Å; F284-A321 HydrophobicContact CD1-CB 4.35Å; F284-L325 HydrophobicContact CD1-CD1 3.47Å; F284-L325 VanDerWaalsContact CD1-CD1 3.47Å; F284-L325 HydrophobicContact CD2-CD1 4.43Å; F284-L325 HydrophobicContact CE1-CD1 3.53Å; F284-L325 HydrophobicContact CE2-CD1 4.49Å; F284-L325 HydrophobicContact CG-CD1 3.94Å; F284-L325 HydrophobicContact CZ-CD1 4.05Å; F284-V337 HydrophobicContact CE1-CG1 4.18Å; F284-V337 HydrophobicContact CE1-CG2 4.38Å; F284-V337 HydrophobicContact CZ-CG2 4.14Å
285S92.6Very high92.3Very high74 Ų7468.2 Ų68.252%0.51734%0.34SS..Hα-helixtrans-67-21.3170.8-175.90000112.6K281 E282 A287 G288K281-S285 WeakPolarHBondContact O-CB 3.31Å; K281-S285 PolarHBondContact O-N 3.36Å; E282-S285 PolarHBondContact O-N 2.91Å; S285-A287 VanDerWaalsContact C-N 3.3Å; S285-A287 PolarHBondContact O-N 3.43Å; S285-G288 PolarHBondContact O-N 3.29Å
286S91.5Very high92.4Very high81 Ų8168 Ų6857%0.56634%0.339SS*.THydrogen-bonded Turntrans-64.8-32.1176.765.80000113.2L283 F284L283-S286 WeakPolarHBondContact O-CB 3.3Å; L283-S286 PolarHBondContact O-N 2.81Å; L283-S286 PolarHBondContact O-OG 2.9Å; F284-S286 PolarHBondContact O-N 2.79Å
287A90.4Very high92.5Very high5 Ų570.1 Ų70.14%0.04134%0.343CS..THydrogen-bonded Turntrans-84.3-29.6179.100000112.8F284 S285 A321F284-A287 PolarHBondContact O-N 2.67Å; S285-A287 VanDerWaalsContact C-N 3.3Å; S285-A287 PolarHBondContact O-N 3.43Å; A287-A321 HydrophobicContact CB-CB 3.6Å
288G91.3Very high92.3Very high17 Ų1768.6 Ų68.618%0.17534%0.338CS..SBendtrans164.5-173.2176.800000114.2S285 V290S285-G288 PolarHBondContact O-N 3.29Å; G288-V290 PolarHBondContact O-N 3.39Å
289R92.2Very high92Very high195 Ų19572.8 Ų72.874%0.73635%0.351SS*.  trans-73114.7-178.5-172.8177.3-176.9179.62.1111.7A313R289-A313 PolarHBondContact O-N 3.4Å
290V92.8Very high91.7Very high31 Ų3178.5 Ų78.519%0.18838%0.379CS..EExtended strand (participates in β ladder)trans-80.9132.3176.1-177.70000110.6F284 G288 I293 I310 Y312F284-V290 HydrophobicContact CB-CG2 4.13Å; G288-V290 PolarHBondContact O-N 3.39Å; V290-I293 HydrophobicContact CG1-CD1 4.03Å; V290-I293 HydrophobicContact CG1-CG1 3.53Å; V290-I310 HydrophobicContact CG1-CG2 3.65Å; V290-I310 HydrophobicContact CG2-CG2 4.14Å; V290-Y312 HydrophobicContact CG2-CD1 4.42Å; V290-Y312 HydrophobicContact CG2-CE1 3.81Å
291M91.4Very high91.3Very high106 Ų10682.4 Ų82.452%0.52240%0.403SS..EExtended strand (participates in β ladder)trans-91.9-46.7178.1-77.2-56.7-33.500113S311 A313M291-S311 WeakPolarHBondContact CB-O 3.39Å; M291-S311 PolarHBondContact N-O 2.84Å; M291-A313 HydrophobicContact CG-CB 3.89Å; M291-A313 HydrophobicContact SD-CB 4.21Å
292R90.9Very high90.8Very high148 Ų14880.8 Ų80.856%0.55841%0.407SS*.EExtended strand (participates in β ladder)trans-146.1141-178.1-69.5-178.4175.7166.9-7.6109.7R261 S311R261-R292 VanDerWaalsContact NH1-NH1 3.16Å; R261-R292 VanDerWaalsContact NH1-NH2 3.14Å; R292-S311 PolarHBondContact N-O 3.21Å; R292-S311 PolarHBondContact O-N 3.31Å
293I93.6Very high90.4Very high41 Ų4180.4 Ų80.421%0.2140%0.399CS..EExtended strand (participates in β ladder)trans-120.3131.6173.4-58.1172.8000106.2L280 K281 V290L280-I293 HydrophobicContact CB-CG2 4.48Å; L280-I293 HydrophobicContact CD1-CG2 4.33Å; K281-I293 HydrophobicContact CB-CD1 3.59Å; K281-I293 HydrophobicContact CG-CD1 4.03Å; V290-I293 HydrophobicContact CG1-CD1 4.03Å; V290-I293 HydrophobicContact CG1-CG1 3.53Å
294F93.2Very high90.1Very high132 Ų13279.5 Ų79.558%0.57940%0.395SS*.EExtended strand (participates in β ladder)trans-124.9104.9172.4179.6-93.7000108.3A296 A308 F309F294-A296 HydrophobicContact CE1-CB 4.34Å; F294-A308 CarbonylContact O-C 3.55Å; F294-A308 VanDerWaalsContact O-CA 3.31Å; F294-A308 WeakPolarHBondContact O-CA 3.29Å; F294-F309 HydrophobicContact CB-CB 4.35Å; F294-F309 HydrophobicContact CD1-CD2 4.02Å; F294-F309 PolarHBondContact N-O 3.1Å; F294-F309 PolarHBondContact O-N 3.34Å
295L93.8Very high89.9Confident10 Ų1085 Ų855%0.05242%0.419CS..EExtended strand (participates in β ladder)trans-92.5118.1175.9-178.253.5000108.8L271 I275 E277 L280 K297 C304 A308L271-L295 HydrophobicContact CD1-CD1 4.37Å; I275-L295 HydrophobicContact CG2-CD1 4.08Å; I275-L295 HydrophobicContact CG2-CD2 4.21Å; I275-L295 WeakPolarHBondContact O-CD2 3.5Å; E277-L295 HydrophobicContact CG-CB 3.77Å; E277-L295 HydrophobicContact CG-CD2 3.81Å; E277-L295 HydrophobicContact CG-CG 4.47Å; L280-L295 HydrophobicContact CD1-CD1 3.97Å; L280-L295 HydrophobicContact CD1-CD2 4.35Å; L295-K297 VanDerWaalsContact CD2-CE 3.49Å; L295-K297 HydrophobicContact CG-CG 4.21Å; L295-K297 PolarHBondContact O-N 2.88Å; L295-K297 VanDerWaalsContact O-N 3.08Å; L295-C304 HydrophobicContact CD1-CB 4.34Å; L295-A308 HydrophobicContact CD1-CB 3.97Å
296A92Very high89.8Confident5 Ų582.4 Ų82.44%0.04140%0.404CS..EExtended strand (participates in β ladder)trans-75.4103.3-179.500000109.8F294 K305 Y307F294-A296 HydrophobicContact CE1-CB 4.34Å; A296-K305 HydrophobicContact CB-CB 4.37Å; A296-K305 WeakPolarHBondContact O-CB 3.29Å; A296-K305 PolarHBondContact O-N 3.19Å; A296-Y307 HydrophobicContact CB-CD1 4.26Å; A296-Y307 HydrophobicContact CB-CD2 3.7Å; A296-Y307 HydrophobicContact CB-CE1 3.85Å; A296-Y307 HydrophobicContact CB-CE2 3.23Å; A296-Y307 HydrophobicContact CB-CG 4.19Å; A296-Y307 WeakPolarHBondContact CB-O 3.41Å; A296-Y307 PolarHBondContact N-O 2.91Å
297K92.2Very high89.9Confident88 Ų8882.5 Ų82.538%0.38339%0.392SS..EExtended strand (participates in β ladder)trans-102.4146.5175.5-64.2171.2-179.3160.80110.4E277 L295 R303E277-K297 IonicContact OE1-NZ 2.83Å; E277-K297 PolarHBondContact OE1-NZ 2.97Å; L295-K297 VanDerWaalsContact CD2-CE 3.49Å; L295-K297 HydrophobicContact CG-CG 4.21Å; L295-K297 PolarHBondContact O-N 2.88Å; L295-K297 VanDerWaalsContact O-N 3.08Å; K297-R303 CarbonylContact C-O 3.54Å; K297-R303 VanDerWaalsContact CA-O 3.32Å; K297-R303 WeakPolarHBondContact CA-O 3.33Å
298D88.6Confident90.1Very high51 Ų5182.2 Ų82.227%0.27339%0.39SS..  trans-71137.9169.5-179.329.5000110.5L300 T301 S302 R303 K305D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 3.07Å; D298-T301 WeakPolarHBondContact CB-OG1 3.28Å; D298-T301 PolarHBondContact OD2-N 3.2Å; D298-T301 PolarHBondContact OD2-OG1 2.99Å; D298-S302 WeakPolarHBondContact O-CA 3.33Å; D298-S302 PolarHBondContact O-N 2.85Å; D298-R303 PolarHBondContact N-O 2.89Å; D298-K305 HydrophobicContact CB-CG 4.44Å
299K87.2Confident90.3Very high198 Ų19884.7 Ų84.786%0.86140%0.396SS*.THydrogen-bonded Turntrans-72-26.3-172.1-69.7174.1-179.7-780112.5
300L85.9Confident90.4Very high161 Ų16175.4 Ų75.484%0.84336%0.361SS*.THydrogen-bonded Turntrans-93-51-176.3-62.3172.8000111D298D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 3.07Å
301T84.5Confident90.4Very high82 Ų8274.5 Ų74.550%0.50336%0.356SS..THydrogen-bonded Turntrans-88.7-12.6-175.160.10000113.9D298 R303D298-T301 WeakPolarHBondContact CB-OG1 3.28Å; D298-T301 PolarHBondContact OD2-N 3.2Å; D298-T301 PolarHBondContact OD2-OG1 2.99Å; T301-R303 PolarHBondContact O-N 3.48Å
302S83Confident90.6Very high89 Ų8969.6 Ų69.662%0.62233%0.332SS*.  trans56.310.8-171.3-59.90000115.1D298D298-S302 WeakPolarHBondContact O-CA 3.33Å; D298-S302 PolarHBondContact O-N 2.85Å
303R84.2Confident90.5Very high143 Ų14365.2 Ų65.254%0.5433%0.327SS..  trans-80.2152.4175.8-65.2-168.3-174-159.53.1111.5E273 K297 D298 T301E273-R303 WeakPolarHBondContact OE2-CD 3.46Å; E273-R303 IonicContact OE2-CZ 2.8Å; E273-R303 IonicContact OE2-NH1 3.97Å; E273-R303 PolarHBondContact OE2-NH1 3.48Å; K297-R303 CarbonylContact C-O 3.54Å; K297-R303 VanDerWaalsContact CA-O 3.32Å; K297-R303 WeakPolarHBondContact CA-O 3.33Å; D298-R303 PolarHBondContact N-O 2.89Å; T301-R303 PolarHBondContact O-N 3.48Å
304C87.3Confident90.3Very high12 Ų1264.9 Ų64.98%0.08133%0.331CS..EExtended strand (participates in β ladder)trans-71.9134.7177.7-59.40000110.7E273 I275 L295 G306E273-C304 WeakPolarHBondContact O-CB 3.31Å; E273-C304 PolarHBondContact O-N 3.08Å; E273-C304 PolarHBondContact O-SG 2.82Å; E273-C304 VanDerWaalsContact O-SG 3.38Å; I275-C304 HydrophobicContact CG2-CB 4.4Å; I275-C304 PolarHBondContact O-SG 2.79Å; L295-C304 HydrophobicContact CD1-CB 4.34Å; C304-G306 PolarHBondContact O-N 2.86Å; C304-G306 VanDerWaalsContact O-N 3.14Å
305K89.9Confident90.2Very high116 Ų11665 Ų6550%0.50433%0.327SS..EExtended strand (participates in β ladder)trans-76.49.8176.2-61.5-171.2176.9-168.40113.5A296 D298 Y307A296-K305 HydrophobicContact CB-CB 4.37Å; A296-K305 WeakPolarHBondContact O-CB 3.29Å; A296-K305 PolarHBondContact O-N 3.19Å; D298-K305 HydrophobicContact CB-CG 4.44Å; K305-Y307 HydrophobicContact CB-CD1 3.94Å; K305-Y307 HydrophobicContact CB-CE1 3.57Å; K305-Y307 HydrophobicContact CD-CE1 4.16Å; K305-Y307 WeakPolarHBondContact O-CD1 3.37Å
306G90.7Very high90.2Very high19 Ų1972.2 Ų72.220%0.19636%0.361CS..EExtended strand (participates in β ladder)trans78.911.1-179.600000115.9N270 L271 C304N270-G306 PolarHBondContact N-O 3.05Å; N270-G306 VanDerWaalsContact N-O 3.08Å; L271-G306 PolarHBondContact N-O 2.84Å; C304-G306 PolarHBondContact O-N 2.86Å; C304-G306 VanDerWaalsContact O-N 3.14Å
307Y93.7Very high90.2Very high83 Ų8374 Ų7433%0.32537%0.37SS..EExtended strand (participates in β ladder)trans-141.9152.2174.668.3-86.8000113.7V268 A296 K305 F309V268-Y307 CarbonylContact O-C 3.53Å; V268-Y307 WeakPolarHBondContact O-CA 3.39Å; V268-Y307 WeakPolarHBondContact O-CB 3.31Å; A296-Y307 HydrophobicContact CB-CD1 4.26Å; A296-Y307 HydrophobicContact CB-CD2 3.7Å; A296-Y307 HydrophobicContact CB-CE1 3.85Å; A296-Y307 HydrophobicContact CB-CE2 3.23Å; A296-Y307 HydrophobicContact CB-CG 4.19Å; A296-Y307 WeakPolarHBondContact CB-O 3.41Å; A296-Y307 PolarHBondContact N-O 2.91Å; K305-Y307 HydrophobicContact CB-CD1 3.94Å; K305-Y307 HydrophobicContact CB-CE1 3.57Å; K305-Y307 HydrophobicContact CD-CE1 4.16Å; K305-Y307 WeakPolarHBondContact O-CD1 3.37Å; Y307-F309 HydrophobicContact CD2-CD2 4.45Å; Y307-F309 AromaticContact CD2-CE2 3.88Å; Y307-F309 HydrophobicContact CD2-CE2 3.88Å; Y307-F309 AromaticContact CE2-CE2 3.86Å; Y307-F309 HydrophobicContact CE2-CE2 3.86Å
308A94.6Very high90.3Very high0 Ų069.8 Ų69.80%035%0.352CS..EExtended strand (participates in β ladder)trans-142.3155.6177.900000111.5V268 L271 L280 F294 L295V268-A308 PolarHBondContact N-O 2.93Å; V268-A308 PolarHBondContact O-N 3.2Å; L271-A308 HydrophobicContact CD1-CB 3.58Å; L280-A308 HydrophobicContact CD1-CB 3.81Å; F294-A308 CarbonylContact O-C 3.55Å; F294-A308 VanDerWaalsContact O-CA 3.31Å; F294-A308 WeakPolarHBondContact O-CA 3.29Å; L295-A308 HydrophobicContact CD1-CB 3.97Å
309F94.7Very high90.5Very high68 Ų6870.8 Ų70.830%0.29835%0.354SS..EExtended strand (participates in β ladder)trans-116.8131.2172.6-66.2-85000110.2V266 R267 F294 Y307 A340V266-F309 WeakPolarHBondContact O-CA 3.3Å; R267-F309 HydrophobicContact CB-CD1 4.12Å; R267-F309 HydrophobicContact CB-CE1 3.93Å; R267-F309 HydrophobicContact CG-CD1 4.19Å; R267-F309 HydrophobicContact CG-CE1 3.72Å; R267-F309 HydrophobicContact CG-CZ 4.18Å; F294-F309 HydrophobicContact CB-CB 4.35Å; F294-F309 HydrophobicContact CD1-CD2 4.02Å; F294-F309 PolarHBondContact N-O 3.1Å; F294-F309 PolarHBondContact O-N 3.34Å; Y307-F309 HydrophobicContact CD2-CD2 4.45Å; Y307-F309 AromaticContact CD2-CE2 3.88Å; Y307-F309 HydrophobicContact CD2-CE2 3.88Å; Y307-F309 AromaticContact CE2-CE2 3.86Å; Y307-F309 HydrophobicContact CE2-CE2 3.86Å; F309-A340 HydrophobicContact CD1-CB 3.99Å; F309-A340 HydrophobicContact CE1-CB 4.02Å
310I94.5Very high90.9Very high0 Ų066.8 Ų66.80%034%0.337CS..EExtended strand (participates in β ladder)trans-126.3118.7-175.8-58-180000108.3T265 V266 V268 F284 V290 Y312T265-I310 WeakPolarHBondContact CA-O 3.23Å; V266-I310 PolarHBondContact N-O 2.66Å; V266-I310 PolarHBondContact O-N 3.33Å; V268-I310 HydrophobicContact CG2-CD1 3.81Å; V268-I310 HydrophobicContact CG2-CG1 4.3Å; F284-I310 HydrophobicContact CB-CD1 3.99Å; F284-I310 HydrophobicContact CB-CG2 4.49Å; F284-I310 HydrophobicContact CD1-CD1 3.56Å; F284-I310 HydrophobicContact CD2-CD1 3.27Å; F284-I310 HydrophobicContact CE1-CD1 3.82Å; F284-I310 HydrophobicContact CE2-CD1 3.54Å; F284-I310 HydrophobicContact CG-CD1 3.29Å; F284-I310 HydrophobicContact CZ-CD1 3.82Å; V290-I310 HydrophobicContact CG1-CG2 3.65Å; V290-I310 HydrophobicContact CG2-CG2 4.14Å; I310-Y312 HydrophobicContact CG2-CD2 4.31Å; I310-Y312 HydrophobicContact CG2-CE2 3.86Å
311S93.3Very high91.3Very high12 Ų1259.1 Ų59.18%0.08430%0.297CS..EExtended strand (participates in β ladder)trans-97.4125.4177.8-174.70000109.9M291 R292M291-S311 WeakPolarHBondContact CB-O 3.39Å; M291-S311 PolarHBondContact N-O 2.84Å; R292-S311 PolarHBondContact N-O 3.21Å; R292-S311 PolarHBondContact O-N 3.31Å
312Y94.1Very high91.8Very high3 Ų356.2 Ų56.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-97.4154.4174.7-78-83.3000112.1N264 V266 F284 V290 I310 A314 N317 A318 A321N264-Y312 WeakPolarHBondContact CB-O 3.45Å; N264-Y312 PolarHBondContact O-N 3.21Å; V266-Y312 HydrophobicContact CG2-CD2 4.09Å; V266-Y312 HydrophobicContact CG2-CE2 4.14Å; F284-Y312 WeakPolarHBondContact CB-OH 3.23Å; F284-Y312 HydrophobicContact CD1-CE2 4.48Å; F284-Y312 VanDerWaalsContact CD1-OH 3.31Å; F284-Y312 WeakPolarHBondContact CD1-OH 3.4Å; F284-Y312 PolarHBondContact O-OH 3.12Å; V290-Y312 HydrophobicContact CG2-CD1 4.42Å; V290-Y312 HydrophobicContact CG2-CE1 3.81Å; I310-Y312 HydrophobicContact CG2-CD2 4.31Å; I310-Y312 HydrophobicContact CG2-CE2 3.86Å; Y312-A314 VanDerWaalsContact C-N 3.32Å; Y312-N317 HydrophobicContact CD1-CB 3.68Å; Y312-N317 HydrophobicContact CE1-CB 4.25Å; Y312-N317 HydrophobicContact CG-CB 4.12Å; Y312-A318 HydrophobicContact CD2-CB 3.82Å; Y312-A318 HydrophobicContact CG-CB 4.28Å; Y312-A321 HydrophobicContact CE2-CB 3.84Å; Y312-A321 WeakPolarHBondContact OH-CB 3.06Å
313A89.8Confident92.3Very high56 Ų5657.3 Ų57.346%0.46328%0.277SS..SBendtrans-67.4-33.8173.800000112.5R289 M291R289-A313 PolarHBondContact O-N 3.4Å; M291-A313 HydrophobicContact CG-CB 3.89Å; M291-A313 HydrophobicContact SD-CB 4.21Å
314A89.7Confident92.7Very high35 Ų3554.7 Ų54.729%0.28928%0.277SS..SBendtrans-128.1143-178.100000110.6Y312 E316 N317 A318Y312-A314 VanDerWaalsContact C-N 3.32Å; A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 PolarHBondContact O-N 3.23Å; A314-N317 PolarHBondContact O-N 2.83Å; A314-A318 PolarHBondContact O-N 3.44Å
315R91Very high92.9Very high134 Ų13454.5 Ų54.551%0.50628%0.275SS..Hα-helixtrans-60.7-35.8177.6-171.3177.6175.179.32.7112.7E263 N264 N317 A318 Q319 W339E263-R315 PolarHBondContact O-NH1 3.31Å; N264-R315 WeakPolarHBondContact OD1-CB 3.4Å; R315-N317 VanDerWaalsContact C-N 3.3Å; R315-N317 PolarHBondContact O-N 2.89Å; R315-A318 WeakPolarHBondContact O-CB 3.44Å; R315-A318 PolarHBondContact O-N 3.38Å; R315-Q319 PolarHBondContact O-N 3.37Å; R315-W339 HydrophobicContact CG-CH2 3.81Å
316E92.6Very high93Very high162 Ų16251.9 Ų51.976%0.75727%0.271SS*.Hα-helixtrans-60.4-39.6178-63.8174.7-17800112A314 Q319 K320A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 PolarHBondContact O-N 3.23Å; E316-Q319 PolarHBondContact O-N 2.94Å; E316-K320 WeakPolarHBondContact O-CB 3.41Å; E316-K320 PolarHBondContact O-N 3.43Å
317N93.5Very high92.9Very high42 Ų4253.1 Ų53.123%0.22528%0.284CS..Hα-helixtrans-68.2-37.3177.2-65.1-22.8000111.7Y312 A314 R315 A321Y312-N317 HydrophobicContact CD1-CB 3.68Å; Y312-N317 HydrophobicContact CE1-CB 4.25Å; Y312-N317 HydrophobicContact CG-CB 4.12Å; A314-N317 PolarHBondContact O-N 2.83Å; R315-N317 VanDerWaalsContact C-N 3.3Å; R315-N317 PolarHBondContact O-N 2.89Å; N317-A321 WeakPolarHBondContact O-CB 3.22Å; N317-A321 PolarHBondContact O-N 3.22Å
318A93.3Very high92.8Very high0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-65.1-44.2174.900000111.6V266 Y312 A314 R315 A321 I322 W339V266-A318 HydrophobicContact CG2-CB 3.59Å; Y312-A318 HydrophobicContact CD2-CB 3.82Å; Y312-A318 HydrophobicContact CG-CB 4.28Å; A314-A318 PolarHBondContact O-N 3.44Å; R315-A318 WeakPolarHBondContact O-CB 3.44Å; R315-A318 PolarHBondContact O-N 3.38Å; A318-A321 WeakPolarHBondContact O-CB 3.3Å; A318-A321 PolarHBondContact O-N 2.91Å; A318-I322 WeakPolarHBondContact O-CG1 3.41Å; A318-I322 PolarHBondContact O-N 3.46Å; A318-I322 VanDerWaalsContact O-N 3.07Å; A318-W339 HydrophobicContact CB-CH2 3.67Å; A318-W339 HydrophobicContact CB-CZ3 3.76Å
319Q93.8Very high92.6Very high71 Ų7162.6 Ų62.633%0.33232%0.322SS..Hα-helixtrans-62.6-46.2175.6-176.759.439.400111.4R315 E316 A321 I322 D323 W339R315-Q319 PolarHBondContact O-N 3.37Å; E316-Q319 PolarHBondContact O-N 2.94Å; Q319-A321 VanDerWaalsContact C-N 3.26Å; Q319-A321 PolarHBondContact O-N 2.91Å; Q319-I322 WeakPolarHBondContact O-CB 3.37Å; Q319-I322 PolarHBondContact O-N 3.31Å; Q319-I322 VanDerWaalsContact O-N 3.08Å; Q319-D323 PolarHBondContact NE2-OD1 3.36Å; Q319-D323 PolarHBondContact NE2-OD2 3.37Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.12Å; Q319-D323 PolarHBondContact O-N 3Å; Q319-W339 HydrophobicContact CB-CZ2 4.1Å; Q319-W339 VanDerWaalsContact OE1-CZ2 3.22Å
320K94.2Very high92.2Very high115 Ų11561.1 Ų61.150%0.532%0.316SS..Hα-helixtrans-59.3-37.7176-170.9178.9-179.5-173.70112.4E316 D323 T324E316-K320 WeakPolarHBondContact O-CB 3.41Å; E316-K320 PolarHBondContact O-N 3.43Å; K320-D323 PolarHBondContact O-N 2.97Å; K320-T324 VanDerWaalsContact O-CB 3.31Å; K320-T324 WeakPolarHBondContact O-CB 3.32Å; K320-T324 PolarHBondContact O-N 3.01Å; K320-T324 PolarHBondContact O-OG1 3.2Å
321A94.5Very high91.8Very high0 Ų066.9 Ų66.90%034%0.343CS..Hα-helixtrans-63.4-42.417500000111.6F284 A287 Y312 N317 A318 Q319 L325F284-A321 HydrophobicContact CD1-CB 4.35Å; A287-A321 HydrophobicContact CB-CB 3.6Å; Y312-A321 HydrophobicContact CE2-CB 3.84Å; Y312-A321 WeakPolarHBondContact OH-CB 3.06Å; N317-A321 WeakPolarHBondContact O-CB 3.22Å; N317-A321 PolarHBondContact O-N 3.22Å; A318-A321 WeakPolarHBondContact O-CB 3.3Å; A318-A321 PolarHBondContact O-N 2.91Å; Q319-A321 VanDerWaalsContact C-N 3.26Å; Q319-A321 PolarHBondContact O-N 2.91Å; A321-L325 HydrophobicContact CB-CD1 4.28Å; A321-L325 WeakPolarHBondContact O-CB 3.45Å; A321-L325 PolarHBondContact O-N 3.17Å
322I94.8Very high91.5Very high21 Ų2173.8 Ų73.811%0.10837%0.373CS..Hα-helixtrans-61.5-48.6175.9-67.5163.5000110.5V266 A318 Q319 T324 S326 V337 W339V266-I322 HydrophobicContact CG1-CG1 4.13Å; V266-I322 HydrophobicContact CG2-CD1 4.43Å; V266-I322 HydrophobicContact CG2-CG1 4.42Å; A318-I322 WeakPolarHBondContact O-CG1 3.41Å; A318-I322 PolarHBondContact O-N 3.46Å; A318-I322 VanDerWaalsContact O-N 3.07Å; Q319-I322 WeakPolarHBondContact O-CB 3.37Å; Q319-I322 PolarHBondContact O-N 3.31Å; Q319-I322 VanDerWaalsContact O-N 3.08Å; I322-T324 VanDerWaalsContact C-N 3.34Å; I322-T324 PolarHBondContact O-N 2.99Å; I322-S326 WeakPolarHBondContact O-CB 3.5Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.17Å; I322-V337 HydrophobicContact CG1-CG1 3.95Å; I322-W339 HydrophobicContact CD1-CD2 3.62Å; I322-W339 HydrophobicContact CD1-CE3 4.31Å; I322-W339 HydrophobicContact CD1-CG 3.8Å; I322-W339 HydrophobicContact CD1-CZ2 3.89Å; I322-W339 VanDerWaalsContact CD1-NE1 3.35Å
323D93.7Very high91.3Very high112 Ų11275.4 Ų75.460%0.59938%0.382SS*.Hα-helixtrans-69.3-32-175.2-61.8-29.2000112.9Q319 K320Q319-D323 PolarHBondContact NE2-OD1 3.36Å; Q319-D323 PolarHBondContact NE2-OD2 3.37Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.12Å; Q319-D323 PolarHBondContact O-N 3Å; K320-D323 PolarHBondContact O-N 2.97Å
324T92.1Very high91.5Very high87 Ų8777.1 Ų77.153%0.53438%0.383SS..Hα-helixtrans-93-37.6-175.3-460000113K320 I322K320-T324 VanDerWaalsContact O-CB 3.31Å; K320-T324 WeakPolarHBondContact O-CB 3.32Å; K320-T324 PolarHBondContact O-N 3.01Å; K320-T324 PolarHBondContact O-OG1 3.2Å; I322-T324 VanDerWaalsContact C-N 3.34Å; I322-T324 PolarHBondContact O-N 2.99Å
325L92.7Very high91.6Very high9 Ų975.6 Ų75.65%0.04737%0.369CS..Hα-helixtrans-99.8-11.6-171.6-60.2168.2000113.1F284 A321 G327 F328 V337F284-L325 HydrophobicContact CD1-CD1 3.47Å; F284-L325 VanDerWaalsContact CD1-CD1 3.47Å; F284-L325 HydrophobicContact CD2-CD1 4.43Å; F284-L325 HydrophobicContact CE1-CD1 3.53Å; F284-L325 HydrophobicContact CE2-CD1 4.49Å; F284-L325 HydrophobicContact CG-CD1 3.94Å; F284-L325 HydrophobicContact CZ-CD1 4.05Å; A321-L325 HydrophobicContact CB-CD1 4.28Å; A321-L325 WeakPolarHBondContact O-CB 3.45Å; A321-L325 PolarHBondContact O-N 3.17Å; L325-G327 PolarHBondContact O-N 3.41Å; L325-F328 VanDerWaalsContact O-CB 3.26Å; L325-F328 WeakPolarHBondContact O-CB 3.36Å; L325-F328 PolarHBondContact O-N 3.13Å; L325-F328 VanDerWaalsContact O-N 3.14Å; L325-V337 HydrophobicContact CB-CG2 4.03Å
326S91.6Very high91.8Very high61 Ų6174.1 Ų74.143%0.42737%0.367SS..THydrogen-bonded Turntrans-68.1121.6170.6-170.20000110I322I322-S326 WeakPolarHBondContact O-CB 3.5Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.17Å
327G89.3Confident91.9Very high45 Ų4566.6 Ų66.646%0.46433%0.332SS..THydrogen-bonded Turntrans88.22.5-174.100000114.3L325 R329 L335L325-G327 PolarHBondContact O-N 3.41Å; G327-R329 PolarHBondContact O-N 3.38Å; G327-L335 PolarHBondContact N-O 3.41Å
328F91Very high91.9Very high88 Ų8867.6 Ų67.639%0.38634%0.335SS..  trans-67.6126.5176.4-173.1-99.5000110.6L283 L325 H330 L335L283-F328 HydrophobicContact CD2-CE1 3.91Å; L283-F328 HydrophobicContact CD2-CZ 4.42Å; L325-F328 VanDerWaalsContact O-CB 3.26Å; L325-F328 WeakPolarHBondContact O-CB 3.36Å; L325-F328 PolarHBondContact O-N 3.13Å; L325-F328 VanDerWaalsContact O-N 3.14Å; F328-H330 HydrophobicContact CD1-CB 4.26Å; F328-H330 HydrophobicContact CE1-CB 4.28Å; F328-H330 PolarHBondContact O-N 3.12Å; F328-L335 HydrophobicContact CD1-CD1 4.28Å; F328-L335 PolarHBondContact O-N 3.15Å
329R90.6Very high92Very high194 Ų19471 Ų7173%0.73235%0.348SS*.EExtended strand (participates in β ladder)trans-80.3114.1174.2-77.5-172.4-59.3-96.71.2109.6G327 L333 I334G327-R329 PolarHBondContact O-N 3.38Å; R329-L333 WeakPolarHBondContact CA-O 3.41Å; R329-I334 HydrophobicContact CG-CG1 3.81Å
330H86.6Confident91.7Very high36 Ų3668.9 Ų68.917%0.16734%0.342CS..EExtended strand (participates in β ladder)trans-117.1118.1169.7-167.765.5000108.1F328 H332 L333 L335F328-H330 HydrophobicContact CD1-CB 4.26Å; F328-H330 HydrophobicContact CE1-CB 4.28Å; F328-H330 PolarHBondContact O-N 3.12Å; H330-H332 PolarHBondContact O-N 2.96Å; H330-L333 PolarHBondContact N-O 3.33Å; H330-L333 PolarHBondContact O-N 3.28Å; H330-L333 VanDerWaalsContact O-N 3.14Å; H330-L333 VanDerWaalsContact O-O 3.05Å; H330-L335 HydrophobicContact CB-CD1 3.94Å; H330-L335 HydrophobicContact CB-CD2 4.36Å; H330-L335 HydrophobicContact CB-CG 4.08Å
331E86.4Confident90.9Very high121 Ų12178.3 Ų78.357%0.56538%0.375SS*.THydrogen-bonded Turntrans57.1-121.3-170.2-52.9-177.7159.400112.6P272P272-E331 WeakPolarHBondContact CB-OE2 3.43Å
332H87Confident90.7Very high157 Ų15782.3 Ų82.373%0.72739%0.394SS*.THydrogen-bonded Turntrans-983.218060.8-77.4000112.6H330H330-H332 PolarHBondContact O-N 2.96Å
333L89.8Confident90.5Very high38 Ų3885.5 Ų85.520%0.19941%0.409CS..EExtended strand (participates in β ladder)trans-117.6152.1-175.4-68.5162.3000111.8P272 R329 H330P272-L333 HydrophobicContact CB-CD1 3.92Å; P272-L333 HydrophobicContact CG-CD1 4.5Å; R329-L333 WeakPolarHBondContact CA-O 3.41Å; H330-L333 PolarHBondContact N-O 3.33Å; H330-L333 PolarHBondContact O-N 3.28Å; H330-L333 VanDerWaalsContact O-N 3.14Å; H330-L333 VanDerWaalsContact O-O 3.05Å
334I92.5Very high90.3Very high92 Ų9284 Ų8447%0.47240%0.398SS..EExtended strand (participates in β ladder)trans-103.7116.9174.3-62.2170000107.8N270 R329N270-I334 PolarHBondContact ND2-O 3.29Å; R329-I334 HydrophobicContact CG-CG1 3.81Å
335L93.4Very high90.2Very high2 Ų283.8 Ų83.81%0.0139%0.39CS..  trans-72136.4-179.2-56.4-176.9000110.5N270 L271 G327 F328 H330N270-L335 WeakPolarHBondContact O-CD2 3.3Å; L271-L335 HydrophobicContact CD2-CD2 3.63Å; L271-L335 HydrophobicContact CG-CD2 4.45Å; G327-L335 PolarHBondContact N-O 3.41Å; F328-L335 HydrophobicContact CD1-CD1 4.28Å; F328-L335 PolarHBondContact O-N 3.15Å; H330-L335 HydrophobicContact CB-CD1 3.94Å; H330-L335 HydrophobicContact CB-CD2 4.36Å; H330-L335 HydrophobicContact CB-CG 4.08Å
336K93.8Very high90Very high104 Ų10488.5 Ų88.545%0.45241%0.412SS..EExtended strand (participates in β ladder)trans-114.7121.9172.4-173.2-168.8-161.5-156.40109.5T269 E338T269-K336 PolarHBondContact N-O 2.82Å; T269-K336 PolarHBondContact O-N 2.82Å; T269-K336 VanDerWaalsContact O-N 3.09Å; T269-K336 WeakPolarHBondContact OG1-CB 3.19Å; T269-K336 PolarHBondContact OG1-O 3.01Å; T269-K336 VanDerWaalsContact OG1-O 3.06Å; K336-E338 WeakPolarHBondContact CE-OE1 3.47Å; K336-E338 HydrophobicContact CG-CG 4.45Å; K336-E338 IonicContact NZ-OE1 2.86Å; K336-E338 PolarHBondContact NZ-OE1 3.37Å
337V95.2Very high89.9Confident3 Ų390.3 Ų90.32%0.01841%0.411CS..EExtended strand (participates in β ladder)trans-117122.7-172.2-172.80000108.6V266 V268 F284 I322 L325V266-V337 HydrophobicContact CG1-CG1 3.15Å; V268-V337 HydrophobicContact CG1-CG2 4.39Å; F284-V337 HydrophobicContact CE1-CG1 4.18Å; F284-V337 HydrophobicContact CE1-CG2 4.38Å; F284-V337 HydrophobicContact CZ-CG2 4.14Å; I322-V337 HydrophobicContact CG1-CG1 3.95Å; L325-V337 HydrophobicContact CB-CG2 4.03Å
338E94.5Very high90Very high63 Ų6393.6 Ų93.629%0.29441%0.407SS..EExtended strand (participates in β ladder)trans-138164-176.2-67.8-179.4158.700111V266 R267 K336V266-E338 CarbonylContact C-O 3.55Å; V266-E338 WeakPolarHBondContact CA-O 3.32Å; V266-E338 WeakPolarHBondContact CG1-O 3.48Å; R267-E338 IonicContact CZ-OE2 2.64Å; R267-E338 PolarHBondContact N-O 2.97Å; R267-E338 IonicContact NE-OE2 2.77Å; R267-E338 IonicContact NH2-OE2 3.78Å; R267-E338 PolarHBondContact NH2-OE2 2.83Å; R267-E338 PolarHBondContact O-N 2.76Å; K336-E338 WeakPolarHBondContact CE-OE1 3.47Å; K336-E338 HydrophobicContact CG-CG 4.45Å; K336-E338 IonicContact NZ-OE1 2.86Å; K336-E338 PolarHBondContact NZ-OE1 3.37Å
339W94.1Very high89.9Confident73 Ų7394 Ų9428%0.27741%0.408SS..EExtended strand (participates in β ladder)trans-62.6138.4168.1-71.2104.1000111E263 R315 A318 Q319 I322E263-W339 VanDerWaalsContact O-CZ3 3.27Å; E263-W339 WeakPolarHBondContact O-CZ3 3.35Å; R315-W339 HydrophobicContact CG-CH2 3.81Å; A318-W339 HydrophobicContact CB-CH2 3.67Å; A318-W339 HydrophobicContact CB-CZ3 3.76Å; Q319-W339 HydrophobicContact CB-CZ2 4.1Å; Q319-W339 VanDerWaalsContact OE1-CZ2 3.22Å; I322-W339 HydrophobicContact CD1-CD2 3.62Å; I322-W339 HydrophobicContact CD1-CE3 4.31Å; I322-W339 HydrophobicContact CD1-CG 3.8Å; I322-W339 HydrophobicContact CD1-CZ2 3.89Å; I322-W339 VanDerWaalsContact CD1-NE1 3.35Å
340A87.9Confident89.8Confident26 Ų2685.7 Ų85.722%0.21538%0.381CS..  trans-69.7140.3170.500000109.8T265 R267 F309T265-A340 PolarHBondContact O-N 2.76Å; T265-A340 VanDerWaalsContact O-N 3.1Å; T265-A340 WeakPolarHBondContact OG1-CB 3.26Å; R267-A340 HydrophobicContact CB-CB 4.41Å; F309-A340 HydrophobicContact CD1-CB 3.99Å; F309-A340 HydrophobicContact CE1-CB 4.02Å
341R76.8Confident90.1Very high313 Ų31390.2 Ų90.2100%1.18140%0.401SS*.  trans-113.70178.7-78.5-170.9176.7-175.3-0.3111

Retrieved 341 of 341 residues in 74 ms (Link to these results)