A0A0D9RRC6_CHLSB Loading...

AN1-type zinc finger protein 6

AlphaFold DB , UniProt , Accession A0A0D9RRC6, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene ZFAND6, Length 208 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
1M55.7Low60.4Low243 Ų243142.3 Ų142.3100%1.19778%0.783SS**  0113.10-69.5165.8172.800107.3
2A42.8Very low62.5Low106 Ų106140.5 Ų140.588%0.87677%0.768SS**PPolyproline II helixtrans-74.9144.117400000109.4
3Q54.1Low64.9Low190 Ų190138.2 Ų138.289%0.88875%0.753SS**PPolyproline II helixtrans-90.7116.4172.8-70.1-179.9-13.500108
4E54.8Low67.1Low179 Ų179128.6 Ų128.684%0.83670%0.702SS**PPolyproline II helixtrans-66.4149-173.2-154.6171.19300111.7
5T57.2Low68.9Low124 Ų124125.7 Ų125.776%0.76169%0.694SS**PPolyproline II helixtrans-75.3156.6-151.947.20000115.1H7T5-H7 VanDerWaalsContact C-N 3.33Å; T5-H7 PolarHBondContact O-N 2.93Å
6N62.7Low70.3Confident159 Ų159122.3 Ų122.385%0.8568%0.678SS**  trans-6986.2174-171.4-99.1000110.2S8N6-S8 PolarHBondContact O-N 2.93Å
7H62.1Low71.6Confident139 Ų139119.1 Ų119.164%0.64468%0.68SS**  trans-73.3108.7175-179.745.9000109.8T5 Q9T5-H7 VanDerWaalsContact C-N 3.33Å; T5-H7 PolarHBondContact O-N 2.93Å; H7-Q9 VanDerWaalsContact C-N 3.32Å; H7-Q9 VanDerWaalsContact CD2-CG 3.43Å; H7-Q9 WeakPolarHBondContact CD2-CG 3.42Å; H7-Q9 PolarHBondContact CD2-NE2 2.79Å; H7-Q9 WeakPolarHBondContact NE2-CG 3.39Å; H7-Q9 PolarHBondContact NE2-NE2 2.91Å; H7-Q9 PolarHBondContact O-N 2.69Å
8S59.6Low72.8Confident105 Ų105116.1 Ų116.173%0.73467%0.666SS**  trans-72.776.9-175.657.80000112.4N6N6-S8 PolarHBondContact O-N 2.93Å
9Q66.4Low73.9Confident107 Ų107113.1 Ų113.150%0.566%0.663SS.*  trans-81.5147.7169.1-62.9-167-16.300110.8H7 P24H7-Q9 VanDerWaalsContact C-N 3.32Å; H7-Q9 VanDerWaalsContact CD2-CG 3.43Å; H7-Q9 WeakPolarHBondContact CD2-CG 3.42Å; H7-Q9 PolarHBondContact CD2-NE2 2.79Å; H7-Q9 WeakPolarHBondContact NE2-CG 3.39Å; H7-Q9 PolarHBondContact NE2-NE2 2.91Å; H7-Q9 PolarHBondContact O-N 2.69Å; Q9-P24 VanDerWaalsContact OE1-CG 3.29Å
10V70.9Confident74.8Confident120 Ų120113.9 Ų113.973%0.72766%0.658SS**  trans-57.2133.7178.2179.70000109.5M12V10-M12 PolarHBondContact O-N 2.89Å
11P78.4Confident75.8Confident93 Ų93115.3 Ų115.360%0.60465%0.654SS**  trans-62.794.3-178.8-25.435.9000113.2Y21P11-Y21 HydrophobicContact CB-CD1 3.61Å; P11-Y21 HydrophobicContact CB-CE1 3.52Å
12M85.1Confident77.6Confident121 Ų121104.3 Ų104.360%0.59660%0.603SS**PPolyproline II helixtrans-71.7140.6174.6-63.4-62-74.400110.6V10 Y21 G22V10-M12 PolarHBondContact O-N 2.89Å; M12-Y21 CarbonylContact O-C 3.47Å; M12-Y21 WeakPolarHBondContact O-CA 3.34Å; M12-G22 PolarHBondContact O-N 3.26Å
13L94.1Very high79.9Confident110 Ų110103 Ų10358%0.57658%0.581SS**BIsolated β-bridgetrans-75.4157.4169.6-71.9170.3000111S15 Y21L13-S15 PolarHBondContact O-N 3.23Å; L13-Y21 HydrophobicContact CD2-CD1 4.41Å; L13-Y21 HydrophobicContact CD2-CE1 4.44Å
14C95.3Very high81.5Confident5 Ų597.4 Ų97.43%0.03456%0.561CS.*PPolyproline II helixtrans-59.2129.6180-177.60000111.6T16 G17 C18 F20 G28 C30C14-T16 PolarHBondContact O-N 2.86Å; C14-G17 PolarHBondContact O-N 3.29Å; C14-C18 WeakPolarHBondContact CB-SG 3.4Å; C14-C18 PolarHBondContact SG-SG 2.9Å; C14-F20 WeakPolarHBondContact CB-O 3.4Å; C14-F20 PolarHBondContact N-O 3.33Å; C14-G28 CarbonylContact C-O 3.58Å; C14-G28 VanDerWaalsContact CA-O 3.25Å; C14-G28 WeakPolarHBondContact CA-O 3.34Å; C14-C30 HydrophobicContact CB-CB 4.17Å; C14-C30 PolarHBondContact SG-N 3.35Å
15S94.4Very high83.1Confident84 Ų8498.9 Ų98.959%0.58756%0.559SS**THydrogen-bonded Turntrans-54.6-20.8175.9-490000114.2L13 G17 N27 G28L13-S15 PolarHBondContact O-N 3.23Å; S15-G17 VanDerWaalsContact C-N 3.33Å; S15-N27 PolarHBondContact OG-O 3.24Å; S15-G28 PolarHBondContact N-O 2.71Å; S15-G28 VanDerWaalsContact OG-C 3.22Å; S15-G28 WeakPolarHBondContact OG-CA 3.2Å; S15-G28 PolarHBondContact OG-O 3.35Å
16T92.1Very high84.7Confident72 Ų7294.2 Ų94.244%0.44253%0.53SS..THydrogen-bonded Turntrans-87.24.4176.2-39.10000113.1C14 C18 M29 C33C14-T16 PolarHBondContact O-N 2.86Å; T16-C18 VanDerWaalsContact C-N 3.27Å; T16-C18 PolarHBondContact O-N 3.38Å; T16-M29 VanDerWaalsContact OG1-CE 3.3Å; T16-M29 WeakPolarHBondContact OG1-CE 3.33Å; T16-C33 HydrophobicContact CG2-CB 4.28Å; T16-C33 WeakPolarHBondContact OG1-CB 3.39Å
17G91.8Very high86Confident68 Ų6893 Ų9370%0.70152%0.524SS*.  trans744.2175.900000116C14 S15 G19C14-G17 PolarHBondContact O-N 3.29Å; S15-G17 VanDerWaalsContact C-N 3.33Å; G17-G19 PolarHBondContact O-N 3.47Å
18C93.4Very high87.4Confident65 Ų6587 Ų8744%0.43950%0.5SS..SBendtrans-74.817.1-171.2680000116.2C14 T16 F20 C30C14-C18 WeakPolarHBondContact CB-SG 3.4Å; C14-C18 PolarHBondContact SG-SG 2.9Å; T16-C18 VanDerWaalsContact C-N 3.27Å; T16-C18 PolarHBondContact O-N 3.38Å; C18-F20 PolarHBondContact O-N 2.8Å; C18-C30 VanDerWaalsContact SG-SG 3.61Å
19G92.7Very high89.1Confident59 Ų5983.2 Ų83.261%0.60847%0.471SS*.SBendtrans70.3-10.9176.400000116.9G17G17-G19 PolarHBondContact O-N 3.47Å
20F93.6Very high90.4Very high129 Ų12978.4 Ų78.457%0.56645%0.449SS*.SBendtrans-88.8159.2175.4-157.6-93.6000112C14 C18 C30C14-F20 WeakPolarHBondContact CB-O 3.4Å; C14-F20 PolarHBondContact N-O 3.33Å; C18-F20 PolarHBondContact O-N 2.8Å; F20-C30 HydrophobicContact CB-CB 4.2Å; F20-C30 HydrophobicContact CD1-CB 3.79Å; F20-C30 HydrophobicContact CG-CB 4.42Å
21Y94.4Very high91.4Very high143 Ų14377.1 Ų77.156%0.56145%0.445SS*.BIsolated β-bridgetrans-69.9138.3177.8-62.4-69.9000113.1P11 M12 L13 C30P11-Y21 HydrophobicContact CB-CD1 3.61Å; P11-Y21 HydrophobicContact CB-CE1 3.52Å; M12-Y21 CarbonylContact O-C 3.47Å; M12-Y21 WeakPolarHBondContact O-CA 3.34Å; L13-Y21 HydrophobicContact CD2-CD1 4.41Å; L13-Y21 HydrophobicContact CD2-CE1 4.44Å; Y21-C30 WeakPolarHBondContact O-CB 3.46Å
22G93.6Very high92.2Very high12 Ų1277.7 Ų77.712%0.12445%0.447CS..PPolyproline II helixtrans-91.7148.5176.400000112.6M12 G28M12-G22 PolarHBondContact O-N 3.26Å; G22-G28 WeakPolarHBondContact CA-O 3.27Å
23N90.4Very high92.7Very high78 Ų7872.5 Ų72.542%0.41742%0.423SS..BIsolated β-bridgetrans-99.7126.1170.2-175.2-19.1000109.9R25 T26 G28 M29N23-R25 PolarHBondContact O-N 2.71Å; N23-R25 VanDerWaalsContact O-N 3.16Å; N23-R25 WeakPolarHBondContact OD1-CB 3.34Å; N23-R25 PolarHBondContact OD1-N 2.9Å; N23-T26 WeakPolarHBondContact CB-OG1 3.5Å; N23-T26 CarbonylContact O-C 3.6Å; N23-T26 PolarHBondContact O-N 3.06Å; N23-T26 PolarHBondContact O-OG1 2.9Å; N23-G28 WeakPolarHBondContact O-CA 3.43Å; N23-G28 PolarHBondContact O-N 2.92Å; N23-M29 PolarHBondContact N-O 2.96Å; N23-M29 VanDerWaalsContact N-O 3.11Å
24P89.3Confident92.7Very high73 Ų7371.2 Ų71.247%0.47441%0.41SS..G310 helixtrans-52.1-33.9174.2-28.134.7000113.8Q9 T26 N27Q9-P24 VanDerWaalsContact OE1-CG 3.29Å; P24-T26 PolarHBondContact O-N 3.44Å; P24-N27 PolarHBondContact O-N 3.15Å
25R88.6Confident92.7Very high210 Ų21078.5 Ų78.579%0.79244%0.442SS*.G310 helixtrans-68.7-12.3177.2-62.1-175.7176.8-174-3.2114.2N23N23-R25 PolarHBondContact O-N 2.71Å; N23-R25 VanDerWaalsContact O-N 3.16Å; N23-R25 WeakPolarHBondContact OD1-CB 3.34Å; N23-R25 PolarHBondContact OD1-N 2.9Å
26T89.9Confident92.7Very high26 Ų2678.6 Ų78.616%0.1643%0.433CS..G310 helixtrans-124.544.8177.952.80000110.6N23 P24 G28 M29 Y34N23-T26 WeakPolarHBondContact CB-OG1 3.5Å; N23-T26 CarbonylContact O-C 3.6Å; N23-T26 PolarHBondContact O-N 3.06Å; N23-T26 PolarHBondContact O-OG1 2.9Å; P24-T26 PolarHBondContact O-N 3.44Å; T26-G28 PolarHBondContact O-N 2.84Å; T26-G28 VanDerWaalsContact O-N 3.14Å; T26-M29 VanDerWaalsContact O-CB 3.26Å; T26-M29 WeakPolarHBondContact O-CB 3.3Å; T26-M29 WeakPolarHBondContact O-CG 3.38Å; T26-M29 PolarHBondContact O-N 2.98Å; T26-M29 PolarHBondContact OG1-O 3.47Å; T26-Y34 HydrophobicContact CG2-CD1 3.81Å; T26-Y34 HydrophobicContact CG2-CD2 4Å; T26-Y34 HydrophobicContact CG2-CE1 3.8Å; T26-Y34 HydrophobicContact CG2-CE2 3.98Å; T26-Y34 HydrophobicContact CG2-CG 3.91Å
27N89.9Confident92.7Very high133 Ų13379.3 Ų79.371%0.71143%0.431SS*.THydrogen-bonded Turntrans55.132.4177.6-63.173.8000114.1S15 P24 M29S15-N27 PolarHBondContact OG-O 3.24Å; P24-N27 PolarHBondContact O-N 3.15Å; N27-M29 PolarHBondContact O-N 3.07Å
28G92.1Very high92.7Very high14 Ų1479.9 Ų79.914%0.14442%0.418CS..THydrogen-bonded Turntrans71.89.4-175.800000113.9C14 S15 G22 N23 T26C14-G28 CarbonylContact C-O 3.58Å; C14-G28 VanDerWaalsContact CA-O 3.25Å; C14-G28 WeakPolarHBondContact CA-O 3.34Å; S15-G28 PolarHBondContact N-O 2.71Å; S15-G28 VanDerWaalsContact OG-C 3.22Å; S15-G28 WeakPolarHBondContact OG-CA 3.2Å; S15-G28 PolarHBondContact OG-O 3.35Å; G22-G28 WeakPolarHBondContact CA-O 3.27Å; N23-G28 WeakPolarHBondContact O-CA 3.43Å; N23-G28 PolarHBondContact O-N 2.92Å; T26-G28 PolarHBondContact O-N 2.84Å; T26-G28 VanDerWaalsContact O-N 3.14Å
29M94.8Very high92.6Very high25 Ų2582.4 Ų82.412%0.12342%0.423CS..BIsolated β-bridgetrans-83.6149.1176.3-53.2-176.1105.400111.1T16 N23 T26 N27 C33 Y34 H37T16-M29 VanDerWaalsContact OG1-CE 3.3Å; T16-M29 WeakPolarHBondContact OG1-CE 3.33Å; N23-M29 PolarHBondContact N-O 2.96Å; N23-M29 VanDerWaalsContact N-O 3.11Å; T26-M29 VanDerWaalsContact O-CB 3.26Å; T26-M29 WeakPolarHBondContact O-CB 3.3Å; T26-M29 WeakPolarHBondContact O-CG 3.38Å; T26-M29 PolarHBondContact O-N 2.98Å; T26-M29 PolarHBondContact OG1-O 3.47Å; N27-M29 PolarHBondContact O-N 3.07Å; M29-C33 HydrophobicContact CE-CB 4.46Å; M29-Y34 HydrophobicContact CB-CD2 4.46Å; M29-Y34 HydrophobicContact SD-CD2 4.21Å; M29-H37 HydrophobicContact CE-CB 3.74Å; M29-H37 HydrophobicContact SD-CB 3.73Å
30C94.6Very high92.4Very high6 Ų687.4 Ų87.44%0.04142%0.424CS..  trans-74.8166.1167.375.40000111.5C14 C18 F20 Y21 V32 C33 Y34C14-C30 HydrophobicContact CB-CB 4.17Å; C14-C30 PolarHBondContact SG-N 3.35Å; C18-C30 VanDerWaalsContact SG-SG 3.61Å; F20-C30 HydrophobicContact CB-CB 4.2Å; F20-C30 HydrophobicContact CD1-CB 3.79Å; F20-C30 HydrophobicContact CG-CB 4.42Å; Y21-C30 WeakPolarHBondContact O-CB 3.46Å; C30-V32 PolarHBondContact O-N 3.4Å; C30-V32 VanDerWaalsContact O-N 3.14Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-C33 PolarHBondContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-SG 3.63Å; C30-Y34 VanDerWaalsContact O-CB 3.22Å; C30-Y34 WeakPolarHBondContact O-CB 3.22Å; C30-Y34 PolarHBondContact O-N 3.28Å
31S92.2Very high92.1Very high93 Ų9385.7 Ų85.765%0.6542%0.417SS*.Hα-helixtrans-59.5-26.1-177.954.90000114.8
32V94.9Very high91.8Very high106 Ų10684.4 Ų84.464%0.64242%0.42SS*.Hα-helixtrans-79-57.9176.6-177.90000110.6C30 Y34 K35 E36C30-V32 PolarHBondContact O-N 3.4Å; C30-V32 VanDerWaalsContact O-N 3.14Å; V32-Y34 VanDerWaalsContact C-N 3.28Å; V32-Y34 PolarHBondContact O-N 2.9Å; V32-K35 WeakPolarHBondContact O-CB 3.37Å; V32-K35 PolarHBondContact O-N 3.47Å; V32-K35 VanDerWaalsContact O-N 3.09Å; V32-E36 PolarHBondContact O-N 3.33Å
33C95.3Very high91.2Very high12 Ų1287.8 Ų87.88%0.08144%0.442CS..Hα-helixtrans-66.2-29.1-178.4-58.90000112.5T16 M29 C30 E36 H37T16-C33 HydrophobicContact CG2-CB 4.28Å; T16-C33 WeakPolarHBondContact OG1-CB 3.39Å; M29-C33 HydrophobicContact CE-CB 4.46Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-C33 PolarHBondContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-N 3.42Å; C30-C33 VanDerWaalsContact SG-SG 3.63Å; C33-E36 PolarHBondContact O-N 3.37Å; C33-H37 WeakPolarHBondContact O-CB 3.38Å; C33-H37 PolarHBondContact O-N 2.94Å
34Y94.3Very high90.3Very high82 Ų8287.4 Ų87.432%0.32245%0.445SS..Hα-helixtrans-66-39.3171.9-174.7-109.9000112.2T26 M29 C30 V32 H37 L38T26-Y34 HydrophobicContact CG2-CD1 3.81Å; T26-Y34 HydrophobicContact CG2-CD2 4Å; T26-Y34 HydrophobicContact CG2-CE1 3.8Å; T26-Y34 HydrophobicContact CG2-CE2 3.98Å; T26-Y34 HydrophobicContact CG2-CG 3.91Å; M29-Y34 HydrophobicContact CB-CD2 4.46Å; M29-Y34 HydrophobicContact SD-CD2 4.21Å; C30-Y34 VanDerWaalsContact O-CB 3.22Å; C30-Y34 WeakPolarHBondContact O-CB 3.22Å; C30-Y34 PolarHBondContact O-N 3.28Å; V32-Y34 VanDerWaalsContact C-N 3.28Å; V32-Y34 PolarHBondContact O-N 2.9Å; Y34-H37 PolarHBondContact O-N 3.03Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.85Å
35K94.4Very high89Confident158 Ų15889.2 Ų89.269%0.68745%0.451SS*.Hα-helixtrans-64.9-41.6174.2-176.8-179.3-66.6-1740111.1V32 L38 Q39V32-K35 WeakPolarHBondContact O-CB 3.37Å; V32-K35 PolarHBondContact O-N 3.47Å; V32-K35 VanDerWaalsContact O-N 3.09Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-Q39 WeakPolarHBondContact O-CB 3.21Å; K35-Q39 PolarHBondContact O-N 3.09Å
36E94.3Very high87.4Confident87 Ų8782.6 Ų82.641%0.40745%0.448SS..Hα-helixtrans-63-44175-164.5-162.5151.400111.7V32 C33 Q39 R40V32-E36 PolarHBondContact O-N 3.33Å; C33-E36 PolarHBondContact O-N 3.37Å; E36-Q39 PolarHBondContact O-N 3.14Å; E36-R40 WeakPolarHBondContact O-CG 3.26Å; E36-R40 PolarHBondContact O-N 2.86Å; E36-R40 IonicContact OE1-CZ 2.79Å; E36-R40 IonicContact OE1-NE 3.8Å; E36-R40 PolarHBondContact OE1-NE 3Å; E36-R40 IonicContact OE1-NH2 2.67Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å
37H91.9Very high85.4Confident86 Ų8692.6 Ų92.640%0.39848%0.483SS..Hα-helixtrans-60.6-47.3176.2-173.780000111.8M29 C33 Y34 Q39 R40 Q41M29-H37 HydrophobicContact CE-CB 3.74Å; M29-H37 HydrophobicContact SD-CB 3.73Å; C33-H37 WeakPolarHBondContact O-CB 3.38Å; C33-H37 PolarHBondContact O-N 2.94Å; Y34-H37 PolarHBondContact O-N 3.03Å; H37-Q39 VanDerWaalsContact C-N 3.33Å; H37-Q39 PolarHBondContact O-N 3.14Å; H37-R40 PolarHBondContact O-N 3.11Å; H37-Q41 WeakPolarHBondContact O-CB 3.47Å; H37-Q41 PolarHBondContact O-N 2.86Å
38L92.5Very high83.8Confident81 Ų8193.6 Ų93.642%0.42449%0.487SS..Hα-helixtrans-63.9-36.7176.8-173.464000112.2Y34 K35 Q41 N42Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.85Å; K35-L38 PolarHBondContact O-N 3.32Å; L38-Q41 PolarHBondContact O-N 3.18Å; L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.25Å; L38-N42 PolarHBondContact O-N 3.19Å
39Q92.1Very high81.7Confident118 Ų11898 Ų9855%0.55152%0.515SS*.Hα-helixtrans-64.9-44.2174.1-178.26264.200111.7K35 E36 H37 S43K35-Q39 WeakPolarHBondContact O-CB 3.21Å; K35-Q39 PolarHBondContact O-N 3.09Å; E36-Q39 PolarHBondContact O-N 3.14Å; H37-Q39 VanDerWaalsContact C-N 3.33Å; H37-Q39 PolarHBondContact O-N 3.14Å; Q39-S43 PolarHBondContact NE2-OG 2.87Å; Q39-S43 WeakPolarHBondContact O-CB 3.4Å; Q39-S43 PolarHBondContact O-N 2.83Å; Q39-S43 PolarHBondContact O-OG 2.8Å
40R88.3Confident80.3Confident164 Ų164102.1 Ų102.162%0.61954%0.544SS*.Hα-helixtrans-64.1-44174.9-71.2173.6-178-86.84.6111.1E36 H37 S43 S44E36-R40 WeakPolarHBondContact O-CG 3.26Å; E36-R40 PolarHBondContact O-N 2.86Å; E36-R40 IonicContact OE1-CZ 2.79Å; E36-R40 IonicContact OE1-NE 3.8Å; E36-R40 PolarHBondContact OE1-NE 3Å; E36-R40 IonicContact OE1-NH2 2.67Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å; H37-R40 PolarHBondContact O-N 3.11Å; R40-S43 PolarHBondContact O-N 2.98Å; R40-S44 WeakPolarHBondContact O-CB 3Å; R40-S44 PolarHBondContact O-N 3.06Å; R40-S44 PolarHBondContact O-OG 3.37Å
41Q87.3Confident78.2Confident93 Ų93107.6 Ų107.644%0.43558%0.58SS.*Hα-helixtrans-59.3-54.7176.8-173.5176.448.300111.2H37 L38 S43 S44 N45H37-Q41 WeakPolarHBondContact O-CB 3.47Å; H37-Q41 PolarHBondContact O-N 2.86Å; L38-Q41 PolarHBondContact O-N 3.18Å; Q41-S43 VanDerWaalsContact C-N 3.25Å; Q41-S43 PolarHBondContact O-N 3.5Å; Q41-S44 WeakPolarHBondContact CA-OG 3.36Å; Q41-S44 CarbonylContact O-C 3.55Å; Q41-S44 WeakPolarHBondContact O-CA 3.13Å; Q41-S44 PolarHBondContact O-N 3.29Å; Q41-S44 PolarHBondContact O-OG 3.18Å; Q41-N45 PolarHBondContact O-N 3.45Å; Q41-N45 PolarHBondContact O-OD1 3.04Å
42N88.2Confident75.9Confident115 Ų115107.8 Ų107.862%0.61559%0.586SS**Hα-helixtrans-57.8-37.3178.3-169.328.1000112.3L38L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.25Å; L38-N42 PolarHBondContact O-N 3.19Å
43S80.6Confident73.6Confident84 Ų84109 Ų10959%0.58759%0.594SS**Hα-helixtrans-72.6-27.1174.8-49.30000113Q39 R40 Q41Q39-S43 PolarHBondContact NE2-OG 2.87Å; Q39-S43 WeakPolarHBondContact O-CB 3.4Å; Q39-S43 PolarHBondContact O-N 2.83Å; Q39-S43 PolarHBondContact O-OG 2.8Å; R40-S43 PolarHBondContact O-N 2.98Å; Q41-S43 VanDerWaalsContact C-N 3.25Å; Q41-S43 PolarHBondContact O-N 3.5Å
44S71.9Confident72Confident69 Ų69113.6 Ų113.648%0.48363%0.627SS.*Hα-helixtrans-83.9-21.6176.572.10000114R40 Q41 G46 R47R40-S44 WeakPolarHBondContact O-CB 3Å; R40-S44 PolarHBondContact O-N 3.06Å; R40-S44 PolarHBondContact O-OG 3.37Å; Q41-S44 WeakPolarHBondContact CA-OG 3.36Å; Q41-S44 CarbonylContact O-C 3.55Å; Q41-S44 WeakPolarHBondContact O-CA 3.13Å; Q41-S44 PolarHBondContact O-N 3.29Å; Q41-S44 PolarHBondContact O-OG 3.18Å; S44-G46 PolarHBondContact O-N 3.32Å; S44-R47 PolarHBondContact O-N 3.2Å
45N60.5Low69.7Low111 Ų111116.2 Ų116.259%0.59465%0.651SS**THydrogen-bonded Turntrans-60.1-10-179.5-99.794.1000114.5Q41 R47Q41-N45 PolarHBondContact O-N 3.45Å; Q41-N45 PolarHBondContact O-OD1 3.04Å; N45-R47 VanDerWaalsContact C-N 3.32Å
46G54.7Low67.2Low72 Ų72114.1 Ų114.174%0.74266%0.656SS**THydrogen-bonded Turntrans-76.6-4.1168.700000115.7S44S44-G46 PolarHBondContact O-N 3.32Å
47R49.2Very low64.7Low236 Ų236114.8 Ų114.889%0.89167%0.671SS**  trans-140.6109.8176.7-70.7-168175.7-172.7-1.7114.2S44 N45S44-R47 PolarHBondContact O-N 3.2Å; N45-R47 VanDerWaalsContact C-N 3.32Å
48I56.8Low62.8Low154 Ų154118.6 Ų118.679%0.7969%0.693SS**  trans-118.2146.5157.4-2.9175.2000104.7
49S47.9Very low60.7Low106 Ų106120.9 Ų120.974%0.74172%0.716SS**  cis-139.8-14221.2-49.60000112.2
50P64.3Low58.5Low111 Ų111124 Ų12472%0.72173%0.73SS**  trans-115.4-162.8-144.340.7-20.2000113.5
51P50.8Low56.2Low122 Ų122121.9 Ų121.979%0.79274%0.74SS**  trans-123.6148.4130.636.2-30.9000112.8
52A44.4Very low54.2Low96 Ų96125.1 Ų125.179%0.79376%0.76SS**  trans-127.5137.4162.500000108.1
53T46.3Very low52.4Low132 Ų132125.1 Ų125.181%0.8177%0.766SS**  trans-154143.5177.3-30.90000111.1
54S61.9Low50.4Low109 Ų109126.5 Ų126.576%0.76277%0.771SS**  trans-160.5164.9-179.1-66.80000107.1
55V46.1Very low48.8Very low137 Ų137131 Ų13183%0.8378%0.784SS**  cis-104.2-168.511-83.50000110.3
56S40.4Very low47.6Very low113 Ų113131 Ų13179%0.7979%0.791SS**  cis-158.517137.3-64.80000116
57S43.4Very low46.7Very low102 Ų102132.9 Ų132.971%0.71379%0.789SS**  trans-59.3147.6-178-540000119
58L51.8Low46Very low165 Ų165129.9 Ų129.986%0.86479%0.79SS**  trans53.1116.6131.9-58.2170.1000120.4
59S48.5Very low44.7Very low130 Ų130125.9 Ų125.991%0.90979%0.788SS**  -175.8172.411137.40000112.5
60E45.3Very low44Very low183 Ų183126.7 Ų126.786%0.85579%0.793SS**  trans-99.8144.1-165.8-179173.9110.200112.9
61S39Very low42.8Very low119 Ų119127.3 Ų127.383%0.83280%0.795SS**  trans159157.2137.850.60000114.8
62L47Very low42.6Very low161 Ų161127.1 Ų127.184%0.84379%0.793SS**  trans-85.3158.3175.5-59.5168.6000110
63P49.4Very low42.1Very low116 Ų116131.4 Ų131.475%0.75380%0.797SS**  -153.5145.269.745.6-25.2000116.8
64V39.3Very low41.6Very low112 Ų112129.3 Ų129.368%0.67979%0.793SS**  88.5118.689.8173.70000117.5
65Q38.6Very low40.3Very low164 Ų164132.6 Ų132.677%0.76680%0.796SS**  trans66.1165.6156.3-69.5177.9114.200118.6
66C34.2Very low39.9Very low110 Ų110131.2 Ų131.274%0.74379%0.793SS**  cis-137.3127.815.1-38.10000112
67T36Very low39.5Very low112 Ų112131.1 Ų131.169%0.68779%0.788SS**  68.6117.699.468.70000119.1
68D34Very low39.3Very low173 Ų173134.1 Ų134.193%0.92580%0.795SS**  trans19.1150.9141.3-95.9-79.5000124.8
69G30.7Very low38.4Very low71 Ų71132.3 Ų132.373%0.73279%0.786SS**  trans172.862.2169.200000121.5
70S31.8Very low38.2Very low123 Ų123131.5 Ų131.586%0.8678%0.781SS**  trans73.6148.6153.4-158.40000122.6
71V39.1Very low38Very low124 Ų124128.7 Ų128.775%0.75278%0.776SS**  trans-85.1166.6166.2-134.90000110.3
72P48.1Very low38.1Very low117 Ų117129 Ų12976%0.7678%0.778SS**  -154.2156.97541-20.5000119.6
73E33.3Very low37.9Very low186 Ų186127.1 Ų127.187%0.86978%0.778SS**  trans55.4155.2133.3-153.9156103.600125
74A35.1Very low37.5Very low89 Ų89127.1 Ų127.174%0.73678%0.781SS**  trans70.2152.916100000120.1
75Q35.2Very low37.9Very low177 Ų177129.9 Ų129.983%0.82779%0.789SS**  cis-167.9152.9-36.6-136-177.517.600110.5
76S37.8Very low38.7Very low109 Ų109130.5 Ų130.576%0.76279%0.792SS**  trans65.9166.8161.979.30000117.6
77T31.9Very low39.1Very low110 Ų110131.2 Ų131.268%0.67580%0.795SS**  cis-146.5143.77.635.50000112.2
78L40.1Very low39.5Very low165 Ų165131.6 Ų131.686%0.86480%0.802SS**  trans59.8157.7147.9-58.3164.4000119.4
79D31.3Very low40Very low128 Ų128128.9 Ų128.968%0.68480%0.797SS**  cis-164143.9-34.2177-104.3000108.3
80S45.5Very low40.3Very low113 Ų113132.8 Ų132.879%0.7981%0.806SS**  trans174.5131.8148.2-85.20000112.3
81T40Very low41.2Very low124 Ų124131.7 Ų131.776%0.76180%0.798SS**  trans-77.1148.9-179.454.50000114.4
82S41.9Very low41.7Very low124 Ų124131.8 Ų131.887%0.86780%0.795SS**  trans-149.7104.8156.1-79.80000110.7
83S42.9Very low41.9Very low122 Ų122134.9 Ų134.985%0.85380%0.799SS**PPolyproline II helixtrans-74.3125-179.2-58.20000111.4
84S41.3Very low42.7Very low117 Ų117130.3 Ų130.382%0.81879%0.787SS**PPolyproline II helixtrans-78.1156.2174.4-165.10000112
85M47.4Very low43.2Very low170 Ų170132.9 Ų132.984%0.83779%0.788SS**PPolyproline II helixtrans-77.7157.2-174.1-53.1-172.786.800112.6
86Q54Low44Very low177 Ų177131.8 Ų131.883%0.82779%0.787SS**  trans-130.1132.2170.5-71.3-66.3-82.500110.2
87P44.3Very low44.1Very low124 Ų124132.4 Ų132.481%0.80579%0.791SS**  trans-90.3134.816934.3-30000110.6
88S43.9Very low44.9Very low121 Ų121135.6 Ų135.685%0.84680%0.799SS**  trans-118.9114.2177.757.90000112.1
89S43.9Very low45.3Very low116 Ų116132.8 Ų132.881%0.81179%0.793SS**  trans-97.1141.7163.450.90000110.3
90V38.2Very low45.8Very low152 Ų152133 Ų13392%0.92180%0.799SS**  trans-149.2158.2162.9-81.80000109.4
91S49.2Very low45.4Very low100 Ų100132 Ų13270%0.69980%0.797SS**  trans-150.7160.7-175.6-160.50000111.7
92N51Low45.2Very low127 Ų127131.5 Ų131.568%0.67980%0.799SS**  trans88.2123.5154.6-57.7-19.4000121.4
93Q51.6Low45.1Very low182 Ų182131.8 Ų131.885%0.8580%0.801SS**  trans73.9155.5136.8-68.5179.112800119.4
94S51Low45.3Very low89 Ų89134.7 Ų134.762%0.62280%0.801SS**  cis-170.5156.3-20.6-172.60000107
95L44.2Very low45.2Very low144 Ų144137.8 Ų137.875%0.75481%0.807SS**  175.7143.482.4-82.7166.5000112.8
96L53.5Low44.7Very low154 Ų154136.6 Ų136.681%0.80680%0.804SS**  trans31.2132.8139.8-50.2178.4000124.8
97S39.6Very low44Very low121 Ų121132.7 Ų132.785%0.84680%0.796SS**  trans-165.9152131.160.50000111.9
98E47.8Very low43.4Very low177 Ų177132.5 Ų132.583%0.82779%0.793SS**  trans-122.6153.6-166.8-62.117071.200115.9
99S48.4Very low43.3Very low107 Ų107131.8 Ų131.875%0.74879%0.788SS**  trans178.3133.2143.747.70000109
100V41.4Very low42.8Very low132 Ų132133.2 Ų133.280%0.879%0.792SS**  cis91.2147.429.5-45.40000116.6
101A37.5Very low42.8Very low91 Ų91133.1 Ų133.175%0.75279%0.786SS**  trans70.2118.7-164.700000114.4
102S35.5Very low42.2Very low115 Ų115137.4 Ų137.480%0.80479%0.792SS**  cis90.411129-56.40000115.2
103S40.5Very low41.3Very low130 Ų130135.5 Ų135.591%0.90979%0.794SS**  trans-144.2117148.2-81.70000108.5
104Q46.3Very low40.6Very low182 Ų182132.6 Ų132.685%0.8579%0.789SS**  trans-92.8150.5169.3-58.1170.16.400108.7
105L39.1Very low40.2Very low183 Ų183134.1 Ų134.196%0.95880%0.796SS**  trans-143.7134.4139.6-78.2-174000109.2
106D37.4Very low40Very low144 Ų144135.1 Ų135.177%0.7780%0.797SS**  trans-95.6151171.1169.381.6000109.5
107S39.4Very low39.1Very low95 Ų95133.6 Ų133.666%0.66479%0.794SS**  trans175.3129.4140.5-840000115.3
108T31.9Very low39.2Very low120 Ų120136.6 Ų136.674%0.73680%0.795SS**  trans52.3107.2138.465.70000122.3
109S42.8Very low38.4Very low106 Ų106135.7 Ų135.774%0.74180%0.796SS**  26.1122.7112.7168.30000120
110V33.1Very low38.2Very low147 Ų147137 Ų13789%0.89179%0.794SS**  -167.2171.6108.6-89.80000111.2
111D37.3Very low38.3Very low149 Ų149139.5 Ų139.580%0.79780%0.797SS**  trans-99.3162.7-177.5-160.8-72.4000112.7
112K36.8Very low38.2Very low190 Ų190139.5 Ų139.583%0.82680%0.797SS**  trans87.6145.8149.3-141.1171.4-178.8177.90122
113A32.3Very low38.5Very low88 Ų88139.3 Ų139.373%0.72780%0.795SS**  trans94.293.715200000122
114V37.1Very low38.4Very low121 Ų121139.4 Ų139.473%0.73379%0.79SS**  trans-14.8135133.5172.90000116E116V114-E116 HydrophobicContact CG1-CB 3.89Å
115P42.8Very low37.8Very low120 Ų120136.2 Ų136.278%0.77979%0.788SS**  -123155.583.738.2-32000113.5
116E39.4Very low37.9Very low166 Ų166134.3 Ų134.378%0.77678%0.779SS**  cis89.2107.124-164.5176.3170.400116.1V114V114-E116 HydrophobicContact CG1-CB 3.89Å
117T34.2Very low38.4Very low121 Ų121133.8 Ų133.874%0.74278%0.781SS**  trans-153.9116.516052.50000110.5
118E42.3Very low38.5Very low184 Ų184133 Ų13386%0.8678%0.781SS**  trans52.4138.1134.4-61.2176.3141.800120.9
119D30.6Very low38.7Very low158 Ų158136.5 Ų136.585%0.84579%0.788SS**  cis-160.6171.8-6179.3-132.1000110.7
120L45.5Very low38.6Very low135 Ų135140.2 Ų140.271%0.70779%0.794SS**  trans-125.8131.2-171.3-74.9169.3000116.2
121Q42Very low39.5Very low184 Ų184138.4 Ų138.486%0.8679%0.785SS**  trans59126.7144.8-64.5-175.6-110.500122.8
122A35.8Very low39.3Very low92 Ų92136.2 Ų136.276%0.7678%0.782SS**  trans-139141.6137.900000107.7
123S43.2Very low39.6Very low110 Ų110136.4 Ų136.477%0.76979%0.786SS**  cis74.8133.333.3-150.90000112.7
124V37.8Very low40.2Very low133 Ų133141.2 Ų141.281%0.80679%0.793SS**  cis-117.1-162.96.7-70.20000110.7
125S34.3Very low40.6Very low114 Ų114144.2 Ų144.280%0.79780%0.799SS**  cis-159.3178.96-161.80000111.2
126D39.7Very low41Very low144 Ų144143.7 Ų143.777%0.7780%0.798SS**  trans-138.9-174.7171-166.9-90.3000111.1
127T48.1Very low41.2Very low133 Ų133146 Ų14682%0.81681%0.806SS**  trans106.4124.8177.2-51.50000113.8
128A42.2Very low41.8Very low79 Ų79145.8 Ų145.865%0.65381%0.809SS**  cis-147-176.6-7.200000108.3
129Q35.5Very low42.6Very low193 Ų193144.3 Ų144.390%0.90281%0.806SS**  cis-162170.426.5-149.5155.4-25.600110.7
130Q42Very low44Very low183 Ų183145.9 Ų145.986%0.85581%0.809SS**  trans-89.7-173.4-172.4-36.4175.9-80.700113.4
131P50.5Low44.7Very low110 Ų110148.5 Ų148.571%0.71481%0.814SS**  cis-137.8-161.9-8.340.5-20.3000115.1
132S32.8Very low45.9Very low103 Ų103145.4 Ų145.472%0.7281%0.81SS**  trans96117.415170.40000122.5
133E43.4Very low47.1Very low194 Ų194151 Ų15191%0.90782%0.818SS**  trans62.6179.8135.2-57.9-166.6146.800122.2
134E45.1Very low48.2Very low188 Ų188154.9 Ų154.988%0.87982%0.823SS**  trans-67.9133.2-150.3-57.6-173.989.700115.8
135Q45.4Very low49.7Very low184 Ų184156.9 Ų156.986%0.8682%0.821SS**  -165.5154.1120.9-111.4174.726.400115.9
136S51.6Low51.5Low110 Ų110160.7 Ų160.777%0.76982%0.823SS**  trans-30.8131.8170.852.50000117.2
137K42.9Very low53.8Low214 Ų214157.4 Ų157.493%0.9381%0.806SS**  trans-110.2133.5159-88179.1175.2171.90111.9
138S47.5Very low56Low116 Ų116158.3 Ų158.381%0.81179%0.794SS**  trans-77.5155.7-168.1-171.70000113.6E140S138-E140 PolarHBondContact O-N 2.84Å
139L58.1Low58.5Low153 Ų153154.7 Ų154.780%0.80176%0.764SS**  trans-68.2110.5174.4-64165.6000111K141L139-K141 PolarHBondContact O-N 2.94Å
140E61.5Low61.3Low192 Ų192151.6 Ų151.690%0.89775%0.748SS**  trans-66.9113.9168.2-76.7-139.110500110.8S138S138-E140 PolarHBondContact O-N 2.84Å
141K59.5Low63.8Low189 Ų189146.5 Ų146.582%0.82273%0.725SS**PPolyproline II helixtrans-83124.1176.4-72.1175.4179.4170.80110L139 K143L139-K141 PolarHBondContact O-N 2.94Å; K141-K143 PolarHBondContact O-N 2.65Å
142P67.5Low66Low119 Ų119144 Ų14477%0.77371%0.71SS**PPolyproline II helixtrans-55.2135.9177.5-27.735.4000112.6Q144P142-Q144 PolarHBondContact O-N 3.24Å; P142-Q144 VanDerWaalsContact O-N 3.12Å
143K61.3Low68.8Low211 Ų211147.5 Ų147.592%0.91771%0.707SS**PPolyproline II helixtrans-56.1117.4-179.6-71.9174.2-179.8168.50110.2K141 K145K141-K143 PolarHBondContact O-N 2.65Å; K143-K145 PolarHBondContact O-N 3.43Å; K143-K145 VanDerWaalsContact O-N 3.16Å
144Q66.3Low71.2Confident191 Ų191144.9 Ų144.989%0.89369%0.692SS**PPolyproline II helixtrans-63.4117.2-171.7-67-175.4-3.100111.5P142 K146P142-Q144 PolarHBondContact O-N 3.24Å; P142-Q144 VanDerWaalsContact O-N 3.12Å; Q144-K146 PolarHBondContact O-N 2.84Å
145K68.6Low73.6Confident174 Ų174144.4 Ų144.476%0.75769%0.688SS**PPolyproline II helixtrans-61.1132.417734.4179.5172.6174.20110.7K143 N147K143-K145 PolarHBondContact O-N 3.43Å; K143-K145 VanDerWaalsContact O-N 3.16Å; K145-N147 PolarHBondContact O-N 2.93Å; K145-N147 PolarHBondContact O-OD1 2.94Å
146K72.2Confident75.9Confident194 Ų194136.4 Ų136.484%0.84365%0.651SS**  trans-73.193.8-17051.5-169.5173.1-171.30112.1Q144 R148Q144-K146 PolarHBondContact O-N 2.84Å; K146-R148 PolarHBondContact O-N 3.16Å
147N88.3Confident77.6Confident76 Ų76132.5 Ų132.541%0.40663%0.629SS.*  trans-60.986-176.8-66.9-24.7000113.6K145 V156 G157K145-N147 PolarHBondContact O-N 2.93Å; K145-N147 PolarHBondContact O-OD1 2.94Å; N147-V156 HydrophobicContact CB-CG2 4.16Å; N147-V156 PolarHBondContact O-N 3.29Å; N147-G157 WeakPolarHBondContact CB-O 3.42Å; N147-G157 PolarHBondContact ND2-O 3.12Å
148R93.9Very high79.6Confident152 Ų152130.7 Ų130.757%0.57463%0.628SS**BIsolated β-bridgetrans-138.9137.5-176.1-151.1173.7-169.4-162.1-8.8109.3K146 F150 R153 K154K146-R148 PolarHBondContact O-N 3.16Å; R148-F150 PolarHBondContact O-N 3.45Å; R148-R153 WeakPolarHBondContact CG-O 3.37Å; R148-R153 PolarHBondContact NE-O 3.27Å; R148-R153 PolarHBondContact NH2-O 3.44Å; R148-K154 CarbonylContact C-O 3.52Å; R148-K154 WeakPolarHBondContact CA-O 3.2Å; R148-K154 WeakPolarHBondContact CG-O 3.45Å
149C95.1Very high81.6Confident2 Ų2130.1 Ų130.11%0.01462%0.62CS.*  trans-62.9131.3179.9172.50000111.2M151 R153 K154 V156 V168 C170C149-M151 PolarHBondContact O-N 2.83Å; C149-R153 WeakPolarHBondContact O-CA 3Å; C149-R153 PolarHBondContact O-N 3.08Å; C149-K154 PolarHBondContact N-O 3.15Å; C149-V156 HydrophobicContact CB-CG1 3.9Å; C149-V168 CarbonylContact C-O 3.59Å; C149-V168 WeakPolarHBondContact CA-O 3.32Å; C149-C170 HydrophobicContact CB-CB 4.17Å
150F94.4Very high83.2Confident129 Ų129123.9 Ų123.957%0.56659%0.593SS**THydrogen-bonded Turntrans-59.1-45.8-176.6-173-101.7000113.4R148 N167 V168 Y169R148-F150 PolarHBondContact O-N 3.45Å; F150-N167 HydrophobicContact CB-CB 4.02Å; F150-N167 HydrophobicContact CD2-CB 4.39Å; F150-N167 WeakPolarHBondContact CD2-OD1 3.39Å; F150-N167 HydrophobicContact CG-CB 4.11Å; F150-V168 PolarHBondContact N-O 2.94Å; F150-Y169 HydrophobicContact CB-CD1 4.34Å; F150-Y169 HydrophobicContact CB-CE1 3.77Å; F150-Y169 HydrophobicContact CD1-CE1 4.4Å
151M94.8Very high84.8Confident76 Ų76117.7 Ų117.737%0.37456%0.563SS.*THydrogen-bonded Turntrans-69-81.7175.4-71.5172.575.400112.7C149 R153 Y169 H173 V178 H179C149-M151 PolarHBondContact O-N 2.83Å; M151-R153 PolarHBondContact O-N 3.33Å; M151-Y169 HydrophobicContact CG-CD1 4.44Å; M151-Y169 HydrophobicContact CG-CE1 4.09Å; M151-Y169 HydrophobicContact SD-CE1 4.5Å; M151-H173 WeakPolarHBondContact CE-CD2 3.42Å; M151-H173 HydrophobicContact SD-CB 3.75Å; M151-H173 PolarHBondContact SD-CD2 3.2Å; M151-V178 WeakPolarHBondContact CE-O 3.2Å; M151-H179 HydrophobicContact CG-CB 4.01Å; M151-H179 VanDerWaalsContact SD-CA 3.52Å; M151-H179 HydrophobicContact SD-CB 3.36Å; M151-H179 WeakPolarHBondContact SD-CB 3.48Å
152C95.2Very high86.5Confident58 Ų58116.6 Ų116.639%0.39256%0.561SS.*THydrogen-bonded Turntrans-78.7-0.7-166.767.90000114.5K154 H173C152-K154 PolarHBondContact O-N 2.78Å; C152-H173 VanDerWaalsContact SG-CE1 3.57Å; C152-H173 PolarHBondContact SG-ND1 3.07Å; C152-H173 VanDerWaalsContact SG-ND1 3.37Å
153R92.8Very high87.8Confident175 Ų175111.7 Ų111.766%0.6653%0.529SS*.  trans5228.5-178-54.9177.9-177.1-179.90.1113.2R148 C149 M151R148-R153 WeakPolarHBondContact CG-O 3.37Å; R148-R153 PolarHBondContact NE-O 3.27Å; R148-R153 PolarHBondContact NH2-O 3.44Å; C149-R153 WeakPolarHBondContact O-CA 3Å; C149-R153 PolarHBondContact O-N 3.08Å; M151-R153 PolarHBondContact O-N 3.33Å
154K94.4Very high89.3Confident139 Ų139108.1 Ų108.160%0.60451%0.51SS*.  trans-72138167.4-169.8168-70.9-170.60109.4R148 C149 C152 V156R148-K154 CarbonylContact C-O 3.52Å; R148-K154 WeakPolarHBondContact CA-O 3.2Å; R148-K154 WeakPolarHBondContact CG-O 3.45Å; C149-K154 PolarHBondContact N-O 3.15Å; C152-K154 PolarHBondContact O-N 2.78Å; K154-V156 PolarHBondContact O-N 3.26Å
155K94.3Very high90.6Very high178 Ų178100.3 Ų100.377%0.77448%0.476SS*.BIsolated β-bridgetrans-66.8126.7172.8-173.1-176.6-179.9-174.50108
156V93.2Very high91.7Very high16 Ų1695.4 Ų95.410%0.09748%0.475CS..  trans-105.7-17.3-175.5-63.10000113.8N147 C149 K154 L158 T159 V168 C170N147-V156 HydrophobicContact CB-CG2 4.16Å; N147-V156 PolarHBondContact O-N 3.29Å; C149-V156 HydrophobicContact CB-CG1 3.9Å; K154-V156 PolarHBondContact O-N 3.26Å; V156-L158 PolarHBondContact O-N 3.36Å; V156-T159 CarbonylContact O-C 3.52Å; V156-T159 PolarHBondContact O-N 3.17Å; V156-V168 HydrophobicContact CG2-CG1 4.02Å; V156-C170 HydrophobicContact CG1-CB 3.61Å
157G88.2Confident92.8Very high29 Ų2988.4 Ų88.430%0.29945%0.447SS..THydrogen-bonded Turntrans61.2-131.7176.500000111.8N147N147-G157 WeakPolarHBondContact CB-O 3.42Å; N147-G157 PolarHBondContact ND2-O 3.12Å
158L85.3Confident93.1Very high176 Ų17686.9 Ų86.992%0.92144%0.44SS*.THydrogen-bonded Turntrans-81.1-15.4174.1-62.3171.8000112.8V156 G160V156-L158 PolarHBondContact O-N 3.36Å; L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 2.9Å
159T88.6Confident93.2Very high103 Ų10379.8 Ų79.863%0.63241%0.413SS*.  trans-95.129.1-177.9-31.90000111.8V156V156-T159 CarbonylContact O-C 3.52Å; V156-T159 PolarHBondContact O-N 3.17Å
160G93.2Very high93.2Very high23 Ų2380.3 Ų80.324%0.23742%0.417CS..PPolyproline II helixtrans-80.5129.4172.100000110.6L158L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 2.9Å
161F94.6Very high93.2Very high61 Ų6176.2 Ų76.227%0.26841%0.41SS..EExtended strand (participates in β ladder)trans-94120.6175.2-62.5-75.6000110V168 Y169 R174F161-V168 CarbonylContact O-C 3.59Å; F161-V168 WeakPolarHBondContact O-CA 3.43Å; F161-Y169 PolarHBondContact N-O 2.81Å; F161-Y169 PolarHBondContact O-N 3.48Å; F161-R174 HydrophobicContact CB-CB 4.26Å; F161-R174 HydrophobicContact CB-CG 3.73Å; F161-R174 HydrophobicContact CD1-CG 4.49Å; F161-R174 HydrophobicContact CD2-CB 4.2Å; F161-R174 HydrophobicContact CD2-CG 4.18Å; F161-R174 HydrophobicContact CG-CB 4.36Å; F161-R174 HydrophobicContact CG-CG 3.88Å
162E93.9Very high93.2Very high166 Ų16677.8 Ų77.878%0.77642%0.424SS*.EExtended strand (participates in β ladder)trans-73.3134.4172.4-57.1-177.3-98.500109.7V168E162-V168 HydrophobicContact CG-CG2 4.43Å
163C94.6Very high93.2Very high16 Ų1676.9 Ų76.911%0.10841%0.414CS..  trans-107.5156.4170.5-169.30000110.8C165 G166 N167 Y169 H179 Y185C163-C165 PolarHBondContact O-N 3.06Å; C163-C165 VanDerWaalsContact O-N 3.1Å; C163-G166 PolarHBondContact O-N 3.42Å; C163-N167 PolarHBondContact N-O 2.86Å; C163-Y169 HydrophobicContact CB-CD2 3.87Å; C163-Y169 HydrophobicContact CB-CE2 3.62Å; C163-H179 PolarHBondContact SG-CE1 3.45Å; C163-H179 PolarHBondContact SG-NE2 3.16Å; C163-Y185 PolarHBondContact SG-OH 3.47Å
164R93.3Very high93.4Very high137 Ų13774.3 Ų74.352%0.51740%0.404SS..THydrogen-bonded Turntrans-62.4-16.1178.8-58.1-173.2-176.4-171.8-0.2114G166 Y183 Y185 D188R164-G166 PolarHBondContact O-N 3.17Å; R164-Y183 HydrophobicContact CB-CD1 3.68Å; R164-Y183 HydrophobicContact CB-CD2 3.69Å; R164-Y183 HydrophobicContact CB-CE1 3.88Å; R164-Y183 HydrophobicContact CB-CE2 3.89Å; R164-Y183 HydrophobicContact CB-CG 3.57Å; R164-Y183 HydrophobicContact CG-CD1 4.42Å; R164-Y183 HydrophobicContact CG-CE1 4.26Å; R164-Y183 PolarHBondContact NH1-OH 2.98Å; R164-Y183 WeakPolarHBondContact O-CD2 3.45Å; R164-Y185 HydrophobicContact CG-CE1 4.36Å; R164-D188 IonicContact CZ-OD2 2.69Å; R164-D188 IonicContact NH1-OD2 4Å; R164-D188 PolarHBondContact NH1-OD2 3.17Å
165C94.1Very high93.4Very high27 Ų2774.7 Ų74.718%0.18240%0.403CS..THydrogen-bonded Turntrans-79.510.3168.571.30000114.1C163 N167C163-C165 PolarHBondContact O-N 3.06Å; C163-C165 VanDerWaalsContact O-N 3.1Å; C165-N167 VanDerWaalsContact C-N 3.28Å; C165-N167 PolarHBondContact O-N 3.43Å
166G92Very high93.3Very high70 Ų7068.3 Ų68.372%0.72238%0.381SS*.SBendtrans80.2-5.9176.900000116.1C163 R164C163-G166 PolarHBondContact O-N 3.42Å; R164-G166 PolarHBondContact O-N 3.17Å
167N94.1Very high93.3Very high48 Ų4873.2 Ų73.226%0.25741%0.407SS..  trans-94.4154.1-178.8-80-40.1000112.7F150 C163 C165 Y169F150-N167 HydrophobicContact CB-CB 4.02Å; F150-N167 HydrophobicContact CD2-CB 4.39Å; F150-N167 WeakPolarHBondContact CD2-OD1 3.39Å; F150-N167 HydrophobicContact CG-CB 4.11Å; C163-N167 PolarHBondContact N-O 2.86Å; C165-N167 VanDerWaalsContact C-N 3.28Å; C165-N167 PolarHBondContact O-N 3.43Å; N167-Y169 HydrophobicContact CB-CD2 4.45Å; N167-Y169 HydrophobicContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-OH 3.32Å; N167-Y169 WeakPolarHBondContact CB-OH 3.31Å; N167-Y169 WeakPolarHBondContact O-CE2 3.39Å
168V94.7Very high93.6Very high43 Ų4374.7 Ų74.726%0.26141%0.41SS..EExtended strand (participates in β ladder)trans-106.1138178-171.20000110.7C149 F150 V156 F161 E162C149-V168 CarbonylContact C-O 3.59Å; C149-V168 WeakPolarHBondContact CA-O 3.32Å; F150-V168 PolarHBondContact N-O 2.94Å; V156-V168 HydrophobicContact CG2-CG1 4.02Å; F161-V168 CarbonylContact O-C 3.59Å; F161-V168 WeakPolarHBondContact O-CA 3.43Å; E162-V168 HydrophobicContact CG-CG2 4.43Å
169Y96.2Very high94Very high4 Ų467 Ų672%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-130.3160.9-174.5-59.8-87.1000112.7F150 M151 F161 C163 N167 H173 H179F150-Y169 HydrophobicContact CB-CD1 4.34Å; F150-Y169 HydrophobicContact CB-CE1 3.77Å; F150-Y169 HydrophobicContact CD1-CE1 4.4Å; M151-Y169 HydrophobicContact CG-CD1 4.44Å; M151-Y169 HydrophobicContact CG-CE1 4.09Å; M151-Y169 HydrophobicContact SD-CE1 4.5Å; F161-Y169 PolarHBondContact N-O 2.81Å; F161-Y169 PolarHBondContact O-N 3.48Å; C163-Y169 HydrophobicContact CB-CD2 3.87Å; C163-Y169 HydrophobicContact CB-CE2 3.62Å; N167-Y169 HydrophobicContact CB-CD2 4.45Å; N167-Y169 HydrophobicContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-CE2 3.48Å; N167-Y169 VanDerWaalsContact CB-OH 3.32Å; N167-Y169 WeakPolarHBondContact CB-OH 3.31Å; N167-Y169 WeakPolarHBondContact O-CE2 3.39Å; Y169-H173 VanDerWaalsContact CB-O 3.32Å; Y169-H173 WeakPolarHBondContact CB-O 3.41Å; Y169-H173 HydrophobicContact CD1-CB 4Å; Y169-H173 WeakPolarHBondContact CD1-O 3.32Å; Y169-H179 HydrophobicContact CD1-CB 4.07Å; Y169-H179 HydrophobicContact CE1-CB 3.46Å; Y169-H179 VanDerWaalsContact CE1-CB 3.46Å; Y169-H179 AromaticContact CE1-CG 3.61Å; Y169-H179 AromaticContact CE2-CD2 3.87Å; Y169-H179 AromaticContact CE2-CE1 3.75Å; Y169-H179 AromaticContact CE2-CG 3.99Å; Y169-H179 AromaticContact CE2-ND1 3.9Å; Y169-H179 AromaticContact CE2-NE2 3.71Å; Y169-H179 AromaticContact CZ-CD2 3.41Å; Y169-H179 VanDerWaalsContact CZ-CD2 3.41Å; Y169-H179 AromaticContact CZ-CG 3.47Å; Y169-H179 VanDerWaalsContact CZ-CG 3.47Å; Y169-H179 AromaticContact CZ-ND1 3.83Å; Y169-H179 AromaticContact CZ-NE2 3.78Å; Y169-H179 PolarHBondContact OH-CD2 3.31Å
170C95.8Very high94.1Very high13 Ų1369.3 Ų69.39%0.08838%0.377CS..  trans-85.4167168.267.40000110.2C149 V156 V172 H173 R174C149-C170 HydrophobicContact CB-CB 4.17Å; V156-C170 HydrophobicContact CG1-CB 3.61Å; C170-V172 PolarHBondContact O-N 3.15Å; C170-H173 CarbonylContact O-C 3.51Å; C170-H173 PolarHBondContact O-N 3.2Å; C170-H173 PolarHBondContact SG-ND1 3.28Å; C170-R174 PolarHBondContact O-N 2.89Å; C170-R174 VanDerWaalsContact O-N 3.08Å
171G93.8Very high94.1Very high42 Ų4269.5 Ų69.543%0.43338%0.375SS..G310 helixtrans-51.1-35.4-176.500000115.5
172V95.2Very high94.1Very high110 Ų11071.9 Ų71.967%0.66740%0.399SS*.G310 helixtrans-69.6-32.3176.8-177.90000112.8C170C170-V172 PolarHBondContact O-N 3.15Å
173H96.1Very high94.2Very high38 Ų3867.1 Ų67.118%0.17637%0.374CS..G310 helixtrans-106.312-174.6-61.4110.1000113.2M151 C152 Y169 C170 H179M151-H173 WeakPolarHBondContact CE-CD2 3.42Å; M151-H173 HydrophobicContact SD-CB 3.75Å; M151-H173 PolarHBondContact SD-CD2 3.2Å; C152-H173 VanDerWaalsContact SG-CE1 3.57Å; C152-H173 PolarHBondContact SG-ND1 3.07Å; C152-H173 VanDerWaalsContact SG-ND1 3.37Å; Y169-H173 VanDerWaalsContact CB-O 3.32Å; Y169-H173 WeakPolarHBondContact CB-O 3.41Å; Y169-H173 HydrophobicContact CD1-CB 4Å; Y169-H173 WeakPolarHBondContact CD1-O 3.32Å; C170-H173 CarbonylContact O-C 3.51Å; C170-H173 PolarHBondContact O-N 3.2Å; C170-H173 PolarHBondContact SG-ND1 3.28Å; H173-H179 PolarHBondContact O-ND1 3.03Å; H173-H179 VanDerWaalsContact O-ND1 3.17Å
174R95.4Very high94.2Very high122 Ų12271.1 Ų71.146%0.4640%0.395SS..  trans-65.4-37-175.8176.7-179.4-177.6-175.7-2.1113F161 C170F161-R174 HydrophobicContact CB-CB 4.26Å; F161-R174 HydrophobicContact CB-CG 3.73Å; F161-R174 HydrophobicContact CD1-CG 4.49Å; F161-R174 HydrophobicContact CD2-CB 4.2Å; F161-R174 HydrophobicContact CD2-CG 4.18Å; F161-R174 HydrophobicContact CG-CB 4.36Å; F161-R174 HydrophobicContact CG-CG 3.88Å; C170-R174 PolarHBondContact O-N 2.89Å; C170-R174 VanDerWaalsContact O-N 3.08Å
175Y94.4Very high94.2Very high147 Ų14768.1 Ų68.158%0.57638%0.384SS*.SBendtrans-78.6150.9-171-54.8-76.1000111.6D177 V178 H179Y175-D177 VanDerWaalsContact C-N 3.33Å; Y175-D177 VanDerWaalsContact C-OD1 3.26Å; Y175-D177 WeakPolarHBondContact CB-OD1 3.34Å; Y175-D177 PolarHBondContact O-N 3.32Å; Y175-V178 WeakPolarHBondContact O-CG2 3.12Å; Y175-V178 PolarHBondContact O-N 3.37Å; Y175-H179 PolarHBondContact O-CE1 2.91Å; Y175-H179 PolarHBondContact O-ND1 3.1Å
176S93Very high94.2Very high43 Ų4375.3 Ų75.330%0.30141%0.412SS..THydrogen-bonded Turntrans-73.3-25.4-166.5-48.40000114.3C181 Y185S176-C181 VanDerWaalsContact O-CB 3.31Å; S176-C181 WeakPolarHBondContact O-CB 3.41Å; S176-C181 PolarHBondContact O-N 3.15Å; S176-C181 VanDerWaalsContact O-N 3.15Å; S176-Y185 WeakPolarHBondContact OG-CE2 3.32Å; S176-Y185 PolarHBondContact OG-OH 3.39Å
177D92.4Very high94.4Very high120 Ų12074.5 Ų74.564%0.64240%0.399SS*.THydrogen-bonded Turntrans-65.9-50.3173.957.6-27.2000111.8Y175 H179Y175-D177 VanDerWaalsContact C-N 3.33Å; Y175-D177 VanDerWaalsContact C-OD1 3.26Å; Y175-D177 WeakPolarHBondContact CB-OD1 3.34Å; Y175-D177 PolarHBondContact O-N 3.32Å; D177-H179 VanDerWaalsContact C-N 3.29Å; D177-H179 PolarHBondContact O-N 3.27Å
178V95.3Very high94.4Very high60 Ų6075.1 Ų75.136%0.36440%0.402SS..THydrogen-bonded Turntrans-71.4-19.7-173.7-68.70000114M151 Y175M151-V178 WeakPolarHBondContact CE-O 3.2Å; Y175-V178 WeakPolarHBondContact O-CG2 3.12Å; Y175-V178 PolarHBondContact O-N 3.37Å
179H92.4Very high94.4Very high15 Ų1575.2 Ų75.27%0.06941%0.407CS..THydrogen-bonded Turntrans-113.515.7-176.771.6-110.9000116.2M151 C163 Y169 H173 Y175 D177 C181M151-H179 HydrophobicContact CG-CB 4.01Å; M151-H179 VanDerWaalsContact SD-CA 3.52Å; M151-H179 HydrophobicContact SD-CB 3.36Å; M151-H179 WeakPolarHBondContact SD-CB 3.48Å; C163-H179 PolarHBondContact SG-CE1 3.45Å; C163-H179 PolarHBondContact SG-NE2 3.16Å; Y169-H179 HydrophobicContact CD1-CB 4.07Å; Y169-H179 HydrophobicContact CE1-CB 3.46Å; Y169-H179 VanDerWaalsContact CE1-CB 3.46Å; Y169-H179 AromaticContact CE1-CG 3.61Å; Y169-H179 AromaticContact CE2-CD2 3.87Å; Y169-H179 AromaticContact CE2-CE1 3.75Å; Y169-H179 AromaticContact CE2-CG 3.99Å; Y169-H179 AromaticContact CE2-ND1 3.9Å; Y169-H179 AromaticContact CE2-NE2 3.71Å; Y169-H179 AromaticContact CZ-CD2 3.41Å; Y169-H179 VanDerWaalsContact CZ-CD2 3.41Å; Y169-H179 AromaticContact CZ-CG 3.47Å; Y169-H179 VanDerWaalsContact CZ-CG 3.47Å; Y169-H179 AromaticContact CZ-ND1 3.83Å; Y169-H179 AromaticContact CZ-NE2 3.78Å; Y169-H179 PolarHBondContact OH-CD2 3.31Å; H173-H179 PolarHBondContact O-ND1 3.03Å; H173-H179 VanDerWaalsContact O-ND1 3.17Å; Y175-H179 PolarHBondContact O-CE1 2.91Å; Y175-H179 PolarHBondContact O-ND1 3.1Å; D177-H179 VanDerWaalsContact C-N 3.29Å; D177-H179 PolarHBondContact O-N 3.27Å; H179-C181 WeakPolarHBondContact NE2-CB 3.4Å; H179-C181 PolarHBondContact NE2-SG 3.02Å; H179-C181 PolarHBondContact O-N 2.89Å
180N90.8Very high94.5Very high151 Ų15177.8 Ų77.881%0.80743%0.429SS*.THydrogen-bonded Turntrans49.655.4-176.9-66.8-21.7000111.8S182N180-S182 PolarHBondContact O-N 2.89Å; N180-S182 VanDerWaalsContact O-N 3.17Å
181C94.9Very high94.5Very high27 Ų2782.7 Ų82.718%0.18245%0.451CS..  trans-61.3118.9-171.8-1620000112.4S176 H179 Y183 Y185S176-C181 VanDerWaalsContact O-CB 3.31Å; S176-C181 WeakPolarHBondContact O-CB 3.41Å; S176-C181 PolarHBondContact O-N 3.15Å; S176-C181 VanDerWaalsContact O-N 3.15Å; H179-C181 WeakPolarHBondContact NE2-CB 3.4Å; H179-C181 PolarHBondContact NE2-SG 3.02Å; H179-C181 PolarHBondContact O-N 2.89Å; C181-Y183 PolarHBondContact O-N 3.22Å; C181-Y185 HydrophobicContact CB-CE2 4.23Å
182S94.3Very high94.6Very high110 Ų11085.8 Ų85.877%0.76945%0.452SS*.  trans-72.1-7.8177.354.70000114.4N180N180-S182 PolarHBondContact O-N 2.89Å; N180-S182 VanDerWaalsContact O-N 3.17Å
183Y95.4Very high94.6Very high67 Ų6785.9 Ų85.926%0.26345%0.448SS..SBendtrans-84125.2-178.1178.4-88.1000111.3R164 C181 Y185 D188R164-Y183 HydrophobicContact CB-CD1 3.68Å; R164-Y183 HydrophobicContact CB-CD2 3.69Å; R164-Y183 HydrophobicContact CB-CE1 3.88Å; R164-Y183 HydrophobicContact CB-CE2 3.89Å; R164-Y183 HydrophobicContact CB-CG 3.57Å; R164-Y183 HydrophobicContact CG-CD1 4.42Å; R164-Y183 HydrophobicContact CG-CE1 4.26Å; R164-Y183 PolarHBondContact NH1-OH 2.98Å; R164-Y183 WeakPolarHBondContact O-CD2 3.45Å; C181-Y183 PolarHBondContact O-N 3.22Å; Y183-Y185 AromaticContact CD1-CD1 3.98Å; Y183-Y185 HydrophobicContact CD1-CD1 3.98Å; Y183-Y185 AromaticContact CD1-CD2 3.77Å; Y183-Y185 HydrophobicContact CD1-CD2 3.77Å; Y183-Y185 AromaticContact CD1-CE1 4Å; Y183-Y185 HydrophobicContact CD1-CE1 4Å; Y183-Y185 AromaticContact CD1-CE2 3.74Å; Y183-Y185 HydrophobicContact CD1-CE2 3.74Å; Y183-Y185 AromaticContact CD1-CG 3.87Å; Y183-Y185 HydrophobicContact CD1-CG 3.87Å; Y183-Y185 AromaticContact CD1-CZ 3.86Å; Y183-Y185 AromaticContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD2 4.46Å; Y183-Y185 HydrophobicContact CE1-CE1 4.18Å; Y183-Y185 HydrophobicContact CE1-CG 4.1Å; Y183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Y183-Y185 WeakPolarHBondContact O-CE2 3.25Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y183-D188 HydrophobicContact CE1-CB 4.17Å; Y183-D188 VanDerWaalsContact OH-CB 3.3Å; Y183-D188 WeakPolarHBondContact OH-CB 3.43Å; Y183-D188 PolarHBondContact OH-OD1 2.99Å; Y183-D188 PolarHBondContact OH-OD2 3.01Å
184N94.6Very high94.4Very high100 Ų10092.7 Ų92.754%0.53547%0.472SS..  trans-84.683.6-176.3-167.9-18.8000112.5K186 A187 D188N184-K186 PolarHBondContact O-N 2.67Å; N184-K186 VanDerWaalsContact O-N 3.15Å; N184-K186 PolarHBondContact OD1-N 3.4Å; N184-A187 HydrophobicContact CB-CB 4.19Å; N184-A187 PolarHBondContact O-N 3.28Å; N184-A187 VanDerWaalsContact O-N 3.17Å; N184-A187 PolarHBondContact OD1-N 3.29Å; N184-D188 PolarHBondContact O-N 3.27Å
185Y92.9Very high94.4Very high73 Ų7395.7 Ų95.729%0.28649%0.488SS..Hα-helixtrans-54-29.7175.9-66.8-92.2000114.4C163 R164 S176 C181 Y183 A189C163-Y185 PolarHBondContact SG-OH 3.47Å; R164-Y185 HydrophobicContact CG-CE1 4.36Å; S176-Y185 WeakPolarHBondContact OG-CE2 3.32Å; S176-Y185 PolarHBondContact OG-OH 3.39Å; C181-Y185 HydrophobicContact CB-CE2 4.23Å; Y183-Y185 AromaticContact CD1-CD1 3.98Å; Y183-Y185 HydrophobicContact CD1-CD1 3.98Å; Y183-Y185 AromaticContact CD1-CD2 3.77Å; Y183-Y185 HydrophobicContact CD1-CD2 3.77Å; Y183-Y185 AromaticContact CD1-CE1 4Å; Y183-Y185 HydrophobicContact CD1-CE1 4Å; Y183-Y185 AromaticContact CD1-CE2 3.74Å; Y183-Y185 HydrophobicContact CD1-CE2 3.74Å; Y183-Y185 AromaticContact CD1-CG 3.87Å; Y183-Y185 HydrophobicContact CD1-CG 3.87Å; Y183-Y185 AromaticContact CD1-CZ 3.86Å; Y183-Y185 AromaticContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD1 3.95Å; Y183-Y185 HydrophobicContact CE1-CD2 4.46Å; Y183-Y185 HydrophobicContact CE1-CE1 4.18Å; Y183-Y185 HydrophobicContact CE1-CG 4.1Å; Y183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Y183-Y185 WeakPolarHBondContact O-CE2 3.25Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y185-A189 VanDerWaalsContact O-CB 3.28Å; Y185-A189 WeakPolarHBondContact O-CB 3.3Å; Y185-A189 PolarHBondContact O-N 3.12Å; Y185-A189 VanDerWaalsContact O-N 3.09Å
186K94.3Very high94.5Very high178 Ų17894.5 Ų94.577%0.77449%0.488SS*.Hα-helixtrans-72.2-40-179.7-64.7-175.9178.8-178.40111.4N184 A190N184-K186 PolarHBondContact O-N 2.67Å; N184-K186 VanDerWaalsContact O-N 3.15Å; N184-K186 PolarHBondContact OD1-N 3.4Å; K186-A190 VanDerWaalsContact O-CB 3.25Å; K186-A190 WeakPolarHBondContact O-CB 3.48Å; K186-A190 PolarHBondContact O-N 2.93Å
187A95.9Very high94.6Very high54 Ų5497.8 Ų97.845%0.44650%0.503SS..Hα-helixtrans-66.7-47.717700000111.7N184 A189 A190 E191N184-A187 HydrophobicContact CB-CB 4.19Å; N184-A187 PolarHBondContact O-N 3.28Å; N184-A187 VanDerWaalsContact O-N 3.17Å; N184-A187 PolarHBondContact OD1-N 3.29Å; A187-A189 PolarHBondContact O-N 3.43Å; A187-A190 PolarHBondContact O-N 3.47Å; A187-E191 WeakPolarHBondContact O-CB 3.28Å; A187-E191 PolarHBondContact O-N 3.43Å
188D94.7Very high94.4Very high61 Ų6196.5 Ų96.533%0.32650%0.5SS..Hα-helixtrans-56.8-47.8175.7173.576.9000112.3R164 Y183 N184 E191 K192R164-D188 IonicContact CZ-OD2 2.69Å; R164-D188 IonicContact NH1-OD2 4Å; R164-D188 PolarHBondContact NH1-OD2 3.17Å; Y183-D188 HydrophobicContact CE1-CB 4.17Å; Y183-D188 VanDerWaalsContact OH-CB 3.3Å; Y183-D188 WeakPolarHBondContact OH-CB 3.43Å; Y183-D188 PolarHBondContact OH-OD1 2.99Å; Y183-D188 PolarHBondContact OH-OD2 3.01Å; N184-D188 PolarHBondContact O-N 3.27Å; D188-E191 PolarHBondContact O-N 2.97Å; D188-K192 WeakPolarHBondContact O-CB 3.25Å; D188-K192 PolarHBondContact O-N 3.49Å
189A95.4Very high93.9Very high44 Ų44100 Ų10036%0.36452%0.522SS..Hα-helixtrans-64.9-42.3177.600000112.5Y185 A187 K192 I193Y185-A189 VanDerWaalsContact O-CB 3.28Å; Y185-A189 WeakPolarHBondContact O-CB 3.3Å; Y185-A189 PolarHBondContact O-N 3.12Å; Y185-A189 VanDerWaalsContact O-N 3.09Å; A187-A189 PolarHBondContact O-N 3.43Å; A189-K192 PolarHBondContact O-N 2.88Å; A189-I193 WeakPolarHBondContact O-CB 3.34Å; A189-I193 WeakPolarHBondContact O-CD1 3.36Å; A189-I193 VanDerWaalsContact O-CG1 3.25Å; A189-I193 WeakPolarHBondContact O-CG1 3.28Å; A189-I193 PolarHBondContact O-N 2.92Å
190A96.6Very high93.8Very high59 Ų59105.6 Ų105.649%0.48856%0.557SS.*Hα-helixtrans-66.7-39.9178.500000112.4K186 A187 I193 R194K186-A190 VanDerWaalsContact O-CB 3.25Å; K186-A190 WeakPolarHBondContact O-CB 3.48Å; K186-A190 PolarHBondContact O-N 2.93Å; A187-A190 PolarHBondContact O-N 3.47Å; A190-I193 PolarHBondContact O-N 3.29Å; A190-R194 VanDerWaalsContact O-CB 3.28Å; A190-R194 WeakPolarHBondContact O-CB 3.47Å; A190-R194 PolarHBondContact O-N 2.9Å
191E95.6Very high93.6Very high115 Ų115104.4 Ų104.454%0.53755%0.554SS.*Hα-helixtrans-65-42.9174.4173.3144.8-109.700111.9A187 D188 R194 K195A187-E191 WeakPolarHBondContact O-CB 3.28Å; A187-E191 PolarHBondContact O-N 3.43Å; D188-E191 PolarHBondContact O-N 2.97Å; E191-R194 PolarHBondContact O-N 2.69Å; E191-R194 IonicContact OE1-CZ 3.16Å; E191-R194 IonicContact OE1-NH2 2.69Å; E191-R194 PolarHBondContact OE1-NH2 3.33Å; E191-K195 WeakPolarHBondContact O-CB 3.19Å; E191-K195 PolarHBondContact O-N 2.99Å
192K95.8Very high93.3Very high108 Ų108106.1 Ų106.147%0.4758%0.577SS.*Hα-helixtrans-58.6-50.4173.4173.9169.8-88.5-84.40111.7D188 A189 R194 K195 E196D188-K192 WeakPolarHBondContact O-CB 3.25Å; D188-K192 PolarHBondContact O-N 3.49Å; A189-K192 PolarHBondContact O-N 2.88Å; K192-R194 VanDerWaalsContact C-N 3.32Å; K192-R194 PolarHBondContact O-N 3.2Å; K192-K195 PolarHBondContact O-N 3.32Å; K192-E196 VanDerWaalsContact CG-CD 3.42Å; K192-E196 HydrophobicContact CG-CG 4.35Å; K192-E196 WeakPolarHBondContact CG-OE1 3.49Å; K192-E196 WeakPolarHBondContact CG-OE2 3.33Å; K192-E196 IonicContact NZ-OE1 2.66Å; K192-E196 PolarHBondContact NZ-OE1 3.29Å; K192-E196 IonicContact NZ-OE2 3.85Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 WeakPolarHBondContact O-CG 3.42Å; K192-E196 PolarHBondContact O-N 2.66Å
193I95.2Very high93Very high111 Ų111110.2 Ų110.257%0.56958%0.584SS**Hα-helixtrans-60.1-42.3177.7-68.9163.7000111A189 A190 K195 E196 N197A189-I193 WeakPolarHBondContact O-CB 3.34Å; A189-I193 WeakPolarHBondContact O-CD1 3.36Å; A189-I193 VanDerWaalsContact O-CG1 3.25Å; A189-I193 WeakPolarHBondContact O-CG1 3.28Å; A189-I193 PolarHBondContact O-N 2.92Å; A190-I193 PolarHBondContact O-N 3.29Å; I193-K195 VanDerWaalsContact C-N 3.25Å; I193-K195 PolarHBondContact O-N 2.9Å; I193-E196 PolarHBondContact O-N 3.07Å; I193-N197 WeakPolarHBondContact O-CB 3.49Å; I193-N197 PolarHBondContact O-N 3.4Å
194R93.9Very high92.5Very high181 Ų181116.6 Ų116.668%0.68361%0.613SS**Hα-helixtrans-60.4-32.4175.2177.8177.967.3178.30.7113.1A190 E191 K192A190-R194 VanDerWaalsContact O-CB 3.28Å; A190-R194 WeakPolarHBondContact O-CB 3.47Å; A190-R194 PolarHBondContact O-N 2.9Å; E191-R194 PolarHBondContact O-N 2.69Å; E191-R194 IonicContact OE1-CZ 3.16Å; E191-R194 IonicContact OE1-NH2 2.69Å; E191-R194 PolarHBondContact OE1-NH2 3.33Å; K192-R194 VanDerWaalsContact C-N 3.32Å; K192-R194 PolarHBondContact O-N 3.2Å
195K95.4Very high92Very high185 Ų185119.5 Ų119.580%0.80463%0.627SS**Hα-helixtrans-82.8-31.5177.9-175.1176.2179.5178.10113.2E191 K192 I193E191-K195 WeakPolarHBondContact O-CB 3.19Å; E191-K195 PolarHBondContact O-N 2.99Å; K192-K195 PolarHBondContact O-N 3.32Å; I193-K195 VanDerWaalsContact C-N 3.25Å; I193-K195 PolarHBondContact O-N 2.9Å
196E95.8Very high91.2Very high122 Ų122124.6 Ų124.657%0.5765%0.653SS**Hα-helixtrans-94.3-18.3-173.9-70.2172.6-176.800113.5K192 I193 P198K192-E196 VanDerWaalsContact CG-CD 3.42Å; K192-E196 HydrophobicContact CG-CG 4.35Å; K192-E196 WeakPolarHBondContact CG-OE1 3.49Å; K192-E196 WeakPolarHBondContact CG-OE2 3.33Å; K192-E196 IonicContact NZ-OE1 2.66Å; K192-E196 PolarHBondContact NZ-OE1 3.29Å; K192-E196 IonicContact NZ-OE2 3.85Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 WeakPolarHBondContact O-CG 3.42Å; K192-E196 PolarHBondContact O-N 2.66Å; I193-E196 PolarHBondContact O-N 3.07Å; E196-P198 WeakPolarHBondContact O-CD 3.35Å
197N94.5Very high90.6Very high113 Ų113125.9 Ų125.960%0.60466%0.659SS**SBendtrans-84.1112178.1-171.823.4000111.9I193I193-N197 WeakPolarHBondContact O-CB 3.49Å; I193-N197 PolarHBondContact O-N 3.4Å
198P87.7Confident89.8Confident92 Ų92134.1 Ų134.160%0.59769%0.693SS**  trans-71.1145.4178.730.8-35.2000111.6E196 V200E196-P198 WeakPolarHBondContact O-CD 3.35Å; P198-V200 PolarHBondContact O-N 3.31Å
199V86.6Confident89.5Confident135 Ų135137.8 Ų137.882%0.81871%0.711SS**  trans-75.798.7178.9-172.10000110V201V199-V201 HydrophobicContact CG1-CG2 3.98Å; V199-V201 PolarHBondContact O-N 3.05Å
200V88.9Confident89.2Confident131 Ų131142.7 Ų142.779%0.79473%0.73SS**  trans-80.9103.1175.3-177.10000109.7P198P198-V200 PolarHBondContact O-N 3.31Å
201V87.4Confident88.8Confident126 Ų126147.3 Ų147.376%0.76474%0.743SS**  trans-103.6111168.3-172.90000108.3V199V199-V201 HydrophobicContact CG1-CG2 3.98Å; V199-V201 PolarHBondContact O-N 3.05Å
202G87.3Confident88.4Confident64 Ų64149.2 Ų149.266%0.6676%0.755SS**  trans-86.8144.2170.500000111.3
203E88.3Confident88Confident196 Ų196151.8 Ų151.892%0.91677%0.773SS**  trans-64.7140.3172.4-65.6-170.5156.100111.1I205E203-I205 PolarHBondContact O-N 3.46Å; E203-I205 VanDerWaalsContact O-N 3.16Å
204K86.8Confident87.5Confident200 Ų200154.5 Ų154.587%0.8779%0.787SS**  trans-75.3108.4179.5-172.9179.6-178.5-179.30109.5Q206K204-Q206 PolarHBondContact O-N 3.29Å
205I82.8Confident87Confident161 Ų161152.6 Ų152.683%0.82679%0.794SS**PPolyproline II helixtrans-48.4127.6178.4-41.3176.9000110E203E203-I205 PolarHBondContact O-N 3.46Å; E203-I205 VanDerWaalsContact O-N 3.16Å
206Q77.3Confident86.4Confident180 Ų180150.2 Ų150.284%0.84179%0.793SS**PPolyproline II helixtrans-70.3141.7175.5-62.6-173.113.500110.1K204 I208K204-Q206 PolarHBondContact O-N 3.29Å; Q206-I208 PolarHBondContact O-N 3.16Å
207K81.9Confident85.6Confident206 Ų206152.5 Ų152.590%0.89681%0.812SS**PPolyproline II helixtrans-80.2119.8-179.7-176.2-179.1177-169.40109.8
208I77.9Confident84.8Confident226 Ų226156.1 Ų156.1100%1.15983%0.831SS**  trans-77.10165.11.1176.1000110.8Q206Q206-I208 PolarHBondContact O-N 3.16Å

Retrieved 208 of 208 residues in 80.4 ms (Link to these results)