A0A3Q0KU33_SCHMA Loading...

Secreted protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KU33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 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
1M70.6Confident86.4Confident207 Ų207147.1 Ų147.1100%1.0268%0.679SS**  0-42.40-62.1-155.7-168.700114.4Y3 I4 K5M1-Y3 PolarHBondContact O-N 2.75Å; M1-I4 PolarHBondContact O-N 2.81Å; M1-K5 PolarHBondContact O-N 3.02Å
2R82.8Confident86.4Confident220 Ų220139.1 Ų139.183%0.8366%0.657SS**Hα-helixtrans-54.6-45.2-179.3-175.3175.4172.1169.3-2.8114.2K5 M6R2-K5 PolarHBondContact O-N 3.37Å; R2-M6 PolarHBondContact O-N 3.02Å; R2-M6 VanDerWaalsContact O-N 3.07Å
3Y84.6Confident86.4Confident199 Ų199134.1 Ų134.178%0.7864%0.641SS**Hα-helixtrans-63.6-43.7179.6-64.8-77.8000113.3M1 K5 M6 L7M1-Y3 PolarHBondContact O-N 2.75Å; Y3-K5 VanDerWaalsContact C-N 3.33Å; Y3-K5 PolarHBondContact O-N 3.11Å; Y3-M6 PolarHBondContact O-N 2.92Å; Y3-L7 WeakPolarHBondContact O-CB 3.06Å; Y3-L7 PolarHBondContact O-N 3Å
4I88.8Confident86.2Confident117 Ų117132.3 Ų132.360%0.663%0.631SS**Hα-helixtrans-60-44.2176.4-78.8157.6000110.7M1 M6 L7 I8M1-I4 PolarHBondContact O-N 2.81Å; I4-M6 VanDerWaalsContact C-N 3.31Å; I4-M6 PolarHBondContact O-N 3.21Å; I4-L7 PolarHBondContact O-N 3.44Å; I4-I8 HydrophobicContact CG2-CD1 3.71Å; I4-I8 HydrophobicContact CG2-CG1 4.45Å; I4-I8 VanDerWaalsContact O-CG1 3.26Å; I4-I8 WeakPolarHBondContact O-CG1 3.49Å; I4-I8 PolarHBondContact O-N 3.41Å
5K85.9Confident86.1Confident165 Ų165128.5 Ų128.572%0.71762%0.615SS**Hα-helixtrans-60.7-41.3176.5-169.6175.4-179.5176.60111.9M1 R2 Y3 M9M1-K5 PolarHBondContact O-N 3.02Å; R2-K5 PolarHBondContact O-N 3.37Å; Y3-K5 VanDerWaalsContact C-N 3.33Å; Y3-K5 PolarHBondContact O-N 3.11Å; K5-M9 PolarHBondContact O-N 3.26Å; K5-M9 VanDerWaalsContact O-N 3.1Å
6M88Confident85.8Confident120 Ų120125.3 Ų125.359%0.59161%0.607SS**Hα-helixtrans-67.5-39.1177.6-170.1178.3146.300112.2R2 Y3 I4 M9 L10R2-M6 PolarHBondContact O-N 3.02Å; R2-M6 VanDerWaalsContact O-N 3.07Å; Y3-M6 PolarHBondContact O-N 2.92Å; I4-M6 VanDerWaalsContact C-N 3.31Å; I4-M6 PolarHBondContact O-N 3.21Å; M6-M9 PolarHBondContact O-N 3.37Å; M6-L10 PolarHBondContact O-N 2.91Å
7L91.4Very high85.5Confident125 Ų125123.6 Ų123.665%0.65460%0.6SS**Hα-helixtrans-67.7-41.6177.3-171.1134.7000112.1Y3 I4 M9 L10 F11Y3-L7 WeakPolarHBondContact O-CB 3.06Å; Y3-L7 PolarHBondContact O-N 3Å; I4-L7 PolarHBondContact O-N 3.44Å; L7-M9 VanDerWaalsContact C-N 3.3Å; L7-M9 PolarHBondContact O-N 2.86Å; L7-L10 PolarHBondContact O-N 3.16Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.18Å
8I90.5Very high85.2Confident105 Ų105121.6 Ų121.654%0.53859%0.592SS.*Hα-helixtrans-60.3-42.2173.5-67.8165.2000110.6I4 F11 A12I4-I8 HydrophobicContact CG2-CD1 3.71Å; I4-I8 HydrophobicContact CG2-CG1 4.45Å; I4-I8 VanDerWaalsContact O-CG1 3.26Å; I4-I8 WeakPolarHBondContact O-CG1 3.49Å; I4-I8 PolarHBondContact O-N 3.41Å; I8-F11 PolarHBondContact O-N 3.15Å; I8-A12 PolarHBondContact O-N 3.41Å
9M88.4Confident84.6Confident138 Ų138121.9 Ų121.968%0.6859%0.592SS**Hα-helixtrans-63.7-42.8177.8-169.1-179.6175.700111.9K5 M6 L7 F11 A12 V13K5-M9 PolarHBondContact O-N 3.26Å; K5-M9 VanDerWaalsContact O-N 3.1Å; M6-M9 PolarHBondContact O-N 3.37Å; L7-M9 VanDerWaalsContact C-N 3.3Å; L7-M9 PolarHBondContact O-N 2.86Å; M9-F11 VanDerWaalsContact C-N 3.32Å; M9-F11 PolarHBondContact O-N 2.89Å; M9-A12 PolarHBondContact O-N 2.86Å; M9-V13 WeakPolarHBondContact O-CG2 3.4Å; M9-V13 PolarHBondContact O-N 3.14Å; M9-V13 VanDerWaalsContact O-N 3.15Å
10L89.2Confident84Confident93 Ų93123.9 Ų123.949%0.48760%0.598SS.*Hα-helixtrans-63-38.1175.6-115.9161.4000112.5M6 L7 H14M6-L10 PolarHBondContact O-N 2.91Å; L7-L10 PolarHBondContact O-N 3.16Å; L10-H14 PolarHBondContact O-N 3.14Å; L10-H14 PolarHBondContact O-ND1 2.88Å
11F90.3Very high83.6Confident129 Ų129122 Ų12257%0.56659%0.593SS**Hα-helixtrans-69-42.5177.6-169.5-106.9000112L7 I8 M9 V13 H14 L15L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.18Å; I8-F11 PolarHBondContact O-N 3.15Å; M9-F11 VanDerWaalsContact C-N 3.32Å; M9-F11 PolarHBondContact O-N 2.89Å; F11-V13 VanDerWaalsContact C-N 3.32Å; F11-V13 PolarHBondContact O-N 3.36Å; F11-H14 WeakPolarHBondContact O-CB 3.48Å; F11-H14 PolarHBondContact O-N 3.47Å; F11-L15 HydrophobicContact CD1-CD1 3.84Å; F11-L15 HydrophobicContact CD1-CG 4.22Å; F11-L15 HydrophobicContact CE1-CD1 3.53Å; F11-L15 HydrophobicContact CE1-CD2 4.28Å; F11-L15 HydrophobicContact CE1-CG 3.96Å; F11-L15 HydrophobicContact CZ-CD1 4.25Å; F11-L15 HydrophobicContact CZ-CD2 4.17Å; F11-L15 HydrophobicContact CZ-CG 4.28Å; F11-L15 WeakPolarHBondContact O-CG 3.4Å; F11-L15 PolarHBondContact O-N 2.91Å
12A86.8Confident83.5Confident51 Ų51117.8 Ų117.842%0.42157%0.572SS.*Hα-helixtrans-59-43.8174.900000111.7I8 M9 H14 L15 T16I8-A12 PolarHBondContact O-N 3.41Å; M9-A12 PolarHBondContact O-N 2.86Å; A12-H14 PolarHBondContact O-N 2.99Å; A12-L15 PolarHBondContact O-N 2.9Å; A12-T16 WeakPolarHBondContact O-CG2 3.45Å; A12-T16 PolarHBondContact O-N 2.99Å
13V86.5Confident82.5Confident74 Ų74110.7 Ų110.745%0.44856%0.556SS.*Hα-helixtrans-61.9-44175.1175.40000111.2M9 F11 L15 T16 I17M9-V13 WeakPolarHBondContact O-CG2 3.4Å; M9-V13 PolarHBondContact O-N 3.14Å; M9-V13 VanDerWaalsContact O-N 3.15Å; F11-V13 VanDerWaalsContact C-N 3.32Å; F11-V13 PolarHBondContact O-N 3.36Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 2.73Å; V13-T16 PolarHBondContact O-N 3.26Å; V13-T16 PolarHBondContact O-OG1 2.98Å; V13-I17 HydrophobicContact CG1-CD1 4.15Å; V13-I17 WeakPolarHBondContact O-CG1 3.18Å; V13-I17 PolarHBondContact O-N 3.28Å; V13-I17 VanDerWaalsContact O-N 3.16Å
14H82.8Confident81.3Confident109 Ų109103.1 Ų103.151%0.50554%0.538SS..Hα-helixtrans-58.9-44.2175.6-88.773.7000112.6L10 F11 A12 T16 I17 I18L10-H14 PolarHBondContact O-N 3.14Å; L10-H14 PolarHBondContact O-ND1 2.88Å; F11-H14 WeakPolarHBondContact O-CB 3.48Å; F11-H14 PolarHBondContact O-N 3.47Å; A12-H14 PolarHBondContact O-N 2.99Å; H14-T16 VanDerWaalsContact C-N 3.34Å; H14-T16 PolarHBondContact O-N 3.02Å; H14-I17 PolarHBondContact O-N 3.12Å; H14-I18 WeakPolarHBondContact O-CG1 3.25Å; H14-I18 PolarHBondContact O-N 3.27Å; H14-I18 VanDerWaalsContact O-N 3.12Å
15L84.9Confident79.8Confident75 Ų75100.9 Ų100.939%0.39353%0.532SS..Hα-helixtrans-62.5-39.7177.5-69.7179000112.2F11 A12 V13 I17 I18 Q19F11-L15 HydrophobicContact CD1-CD1 3.84Å; F11-L15 HydrophobicContact CD1-CG 4.22Å; F11-L15 HydrophobicContact CE1-CD1 3.53Å; F11-L15 HydrophobicContact CE1-CD2 4.28Å; F11-L15 HydrophobicContact CE1-CG 3.96Å; F11-L15 HydrophobicContact CZ-CD1 4.25Å; F11-L15 HydrophobicContact CZ-CD2 4.17Å; F11-L15 HydrophobicContact CZ-CG 4.28Å; F11-L15 WeakPolarHBondContact O-CG 3.4Å; F11-L15 PolarHBondContact O-N 2.91Å; A12-L15 PolarHBondContact O-N 2.9Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 2.73Å; L15-I17 VanDerWaalsContact C-N 3.31Å; L15-I17 PolarHBondContact O-N 3.41Å; L15-I18 PolarHBondContact O-N 3.16Å; L15-Q19 WeakPolarHBondContact O-CG 3.48Å; L15-Q19 PolarHBondContact O-N 3.24Å
16T81.5Confident78.3Confident78 Ų7898.8 Ų98.848%0.47953%0.529SS..Hα-helixtrans-64.5-34.9177.558.40000112.9A12 V13 H14 F20A12-T16 WeakPolarHBondContact O-CG2 3.45Å; A12-T16 PolarHBondContact O-N 2.99Å; V13-T16 PolarHBondContact O-N 3.26Å; V13-T16 PolarHBondContact O-OG1 2.98Å; H14-T16 VanDerWaalsContact C-N 3.34Å; H14-T16 PolarHBondContact O-N 3.02Å; T16-F20 WeakPolarHBondContact O-CB 3.37Å; T16-F20 PolarHBondContact O-N 2.69Å
17I81.6Confident76.8Confident96 Ų9698 Ų9849%0.49253%0.53SS..Hα-helixtrans-68.6-42.3176.4-64.4166.5000110.2V13 H14 L15 F20 V21V13-I17 HydrophobicContact CG1-CD1 4.15Å; V13-I17 WeakPolarHBondContact O-CG1 3.18Å; V13-I17 PolarHBondContact O-N 3.28Å; V13-I17 VanDerWaalsContact O-N 3.16Å; H14-I17 PolarHBondContact O-N 3.12Å; L15-I17 VanDerWaalsContact C-N 3.31Å; L15-I17 PolarHBondContact O-N 3.41Å; I17-F20 PolarHBondContact O-N 3.42Å; I17-V21 WeakPolarHBondContact O-CG2 3.45Å; I17-V21 PolarHBondContact O-N 3.3Å
18I79.7Confident75Confident88 Ų88102.8 Ų102.845%0.45154%0.54SS..Hα-helixtrans-61.2-46.9177.1-65.5165.8000110.3H14 L15 F20 V21 E22H14-I18 WeakPolarHBondContact O-CG1 3.25Å; H14-I18 PolarHBondContact O-N 3.27Å; H14-I18 VanDerWaalsContact O-N 3.12Å; L15-I18 PolarHBondContact O-N 3.16Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 PolarHBondContact O-N 3.04Å; I18-V21 PolarHBondContact O-N 3.45Å; I18-V21 VanDerWaalsContact O-N 3.14Å; I18-E22 HydrophobicContact CG2-CG 4.41Å; I18-E22 WeakPolarHBondContact O-CG 3.4Å; I18-E22 PolarHBondContact O-N 3.42Å
19Q73.7Confident73.2Confident127 Ų127104.2 Ų104.259%0.59355%0.548SS*.Hα-helixtrans-61-37.5176.8-72.5177.2-16.100112.7L15 S23L15-Q19 WeakPolarHBondContact O-CG 3.48Å; L15-Q19 PolarHBondContact O-N 3.24Å; Q19-S23 VanDerWaalsContact O-CB 3.25Å; Q19-S23 WeakPolarHBondContact O-CB 3.43Å; Q19-S23 PolarHBondContact O-N 3.49Å
20F73.2Confident71.5Confident162 Ų162100.6 Ų100.671%0.71154%0.537SS*.Hα-helixtrans-65.5-41.4175-177.5-97.7000111.9T16 I17 I18 G24T16-F20 WeakPolarHBondContact O-CB 3.37Å; T16-F20 PolarHBondContact O-N 2.69Å; I17-F20 PolarHBondContact O-N 3.42Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 PolarHBondContact O-N 3.04Å; F20-G24 PolarHBondContact O-N 3.18Å
21V74.3Confident69.6Low83 Ų83105.8 Ų105.850%0.50356%0.556SS.*Hα-helixtrans-67.2-42.5176.81740000111.1I17 I18 G24 C25I17-V21 WeakPolarHBondContact O-CG2 3.45Å; I17-V21 PolarHBondContact O-N 3.3Å; I18-V21 PolarHBondContact O-N 3.45Å; I18-V21 VanDerWaalsContact O-N 3.14Å; V21-G24 PolarHBondContact O-N 2.93Å; V21-C25 WeakPolarHBondContact O-CB 3.49Å; V21-C25 PolarHBondContact O-N 3.05Å; V21-C25 PolarHBondContact O-SG 2.93Å
22E68.1Low67.6Low120 Ų120103.5 Ų103.556%0.56155%0.549SS*.Hα-helixtrans-62.2-46.1175.4-74.3177.4175.700111.3I18 G24 C25 D26I18-E22 HydrophobicContact CG2-CG 4.41Å; I18-E22 WeakPolarHBondContact O-CG 3.4Å; I18-E22 PolarHBondContact O-N 3.42Å; E22-G24 PolarHBondContact O-N 3.15Å; E22-C25 WeakPolarHBondContact O-CB 3.26Å; E22-C25 PolarHBondContact O-N 3.06Å; E22-D26 PolarHBondContact O-N 3.41Å
23S63.2Low66Low71 Ų71106.9 Ų106.950%0.49757%0.567SS.*Hα-helixtrans-62.7-40.7175.9-179.30000113Q19 C25 D26 T27Q19-S23 VanDerWaalsContact O-CB 3.25Å; Q19-S23 WeakPolarHBondContact O-CB 3.43Å; Q19-S23 PolarHBondContact O-N 3.49Å; S23-C25 VanDerWaalsContact C-N 3.34Å; S23-D26 PolarHBondContact O-N 3.1Å; S23-T27 PolarHBondContact O-N 3.44Å; S23-T27 PolarHBondContact O-OG1 3.46Å
24G59.8Low64.4Low40 Ų40108.7 Ų108.741%0.41258%0.578SS.*Hα-helixtrans-65.7-35.4173.700000113F20 V21 E22 R28F20-G24 PolarHBondContact O-N 3.18Å; V21-G24 PolarHBondContact O-N 2.93Å; E22-G24 PolarHBondContact O-N 3.15Å; G24-R28 PolarHBondContact O-N 2.95Å
25C56.6Low62.9Low69 Ų69108 Ų10847%0.46658%0.581SS.*Hα-helixtrans-69.6-40.4173.6-70.60000112.2V21 E22 S23 T27 R28 N29V21-C25 WeakPolarHBondContact O-CB 3.49Å; V21-C25 PolarHBondContact O-N 3.05Å; V21-C25 PolarHBondContact O-SG 2.93Å; E22-C25 WeakPolarHBondContact O-CB 3.26Å; E22-C25 PolarHBondContact O-N 3.06Å; S23-C25 VanDerWaalsContact C-N 3.34Å; C25-T27 VanDerWaalsContact C-N 3.29Å; C25-T27 PolarHBondContact O-N 3.3Å; C25-R28 PolarHBondContact O-N 3.29Å; C25-R28 VanDerWaalsContact O-N 3.15Å; C25-N29 PolarHBondContact O-N 3.02Å
26D54.9Low61.3Low122 Ų122109.7 Ų109.765%0.65260%0.595SS**Hα-helixtrans-63-37.1175-89.8-10.1000111.6E22 S23 R28 N29 S30E22-D26 PolarHBondContact O-N 3.41Å; S23-D26 PolarHBondContact O-N 3.1Å; D26-R28 VanDerWaalsContact C-N 3.31Å; D26-R28 PolarHBondContact O-N 3.35Å; D26-N29 PolarHBondContact O-N 2.92Å; D26-S30 PolarHBondContact O-N 2.88Å
27T54.8Low59.9Low102 Ų102113.7 Ų113.763%0.62661%0.608SS**Hα-helixtrans-61.5-41.1174.1-54.60000111.1S23 C25 S30S23-T27 PolarHBondContact O-N 3.44Å; S23-T27 PolarHBondContact O-OG1 3.46Å; C25-T27 VanDerWaalsContact C-N 3.29Å; C25-T27 PolarHBondContact O-N 3.3Å; T27-S30 PolarHBondContact O-OG 3.4Å
28R55.4Low58.5Low227 Ų227114.8 Ų114.886%0.85762%0.619SS**Hα-helixtrans-72.8-30.9-179.4-167.4176.5-176.8-1761.6113.5G24 C25 D26G24-R28 PolarHBondContact O-N 2.95Å; C25-R28 PolarHBondContact O-N 3.29Å; C25-R28 VanDerWaalsContact O-N 3.15Å; D26-R28 VanDerWaalsContact C-N 3.31Å; D26-R28 PolarHBondContact O-N 3.35Å
29N51.9Low57.1Low134 Ų134119 Ų11972%0.71763%0.634SS**Hα-helixtrans-96.22.5-179.7-87.1-24.5000114.1C25 D26 K31C25-N29 PolarHBondContact O-N 3.02Å; D26-N29 PolarHBondContact O-N 2.92Å; N29-K31 PolarHBondContact O-N 3.26Å
30S51.7Low56Low63 Ų63121.2 Ų121.244%0.44165%0.649SS.*  trans-64.392.8167.6790000108.8D26 T27 N32D26-S30 PolarHBondContact O-N 2.88Å; T27-S30 PolarHBondContact O-OG 3.4Å; S30-N32 PolarHBondContact O-N 3.18Å
31K49.3Very low55.1Low202 Ų202116.3 Ų116.388%0.87865%0.645SS**  trans-68.446.3158.3-67.6-169.9179.6-173.40109.1N29 P33N29-K31 PolarHBondContact O-N 3.26Å; K31-P33 WeakPolarHBondContact O-CD 3.47Å
32N49.5Very low54.3Low81 Ų81119.4 Ų119.443%0.43366%0.658SS.*  trans-89.5100172.2-168.5-15.1000106.1S30 T34 V35S30-N32 PolarHBondContact O-N 3.18Å; N32-T34 PolarHBondContact O-N 3.44Å; N32-T34 WeakPolarHBondContact OD1-CB 3.4Å; N32-T34 PolarHBondContact OD1-N 3.35Å; N32-T34 VanDerWaalsContact OD1-N 3.14Å; N32-T34 PolarHBondContact OD1-OG1 3.31Å; N32-V35 HydrophobicContact CB-CG2 4.44Å; N32-V35 PolarHBondContact O-N 3.17Å; N32-V35 VanDerWaalsContact O-N 3.11Å
33P52.9Low53.8Low121 Ų121122.3 Ų122.379%0.78667%0.672SS**THydrogen-bonded Turntrans-62.5-3.217828.3-36.5000113.2K31K31-P33 WeakPolarHBondContact O-CD 3.47Å
34T52.7Low53.6Low112 Ų112122.5 Ų122.569%0.68767%0.672SS**THydrogen-bonded Turntrans-83.4-18176.5-350000112.9N32 T36N32-T34 PolarHBondContact O-N 3.44Å; N32-T34 WeakPolarHBondContact OD1-CB 3.4Å; N32-T34 PolarHBondContact OD1-N 3.35Å; N32-T34 VanDerWaalsContact OD1-N 3.14Å; N32-T34 PolarHBondContact OD1-OG1 3.31Å; T34-T36 PolarHBondContact O-N 3.35Å
35V52.3Low53.9Low94 Ų94124.1 Ų124.157%0.5767%0.671SS**SBendtrans-81.182.8168.9-171.50000106.3N32 E37N32-V35 HydrophobicContact CB-CG2 4.44Å; N32-V35 PolarHBondContact O-N 3.17Å; N32-V35 VanDerWaalsContact O-N 3.11Å; V35-E37 PolarHBondContact O-N 2.75Å
36T50.7Low54.2Low112 Ų112129.7 Ų129.769%0.68768%0.682SS**  trans-49.9109.4163.4-50.30000106T34 V38T34-T36 PolarHBondContact O-N 3.35Å; T36-V38 PolarHBondContact O-N 2.92Å
37E52.1Low55Low161 Ų161131 Ų13175%0.75269%0.689SS**  trans-55.998.8167-67.3-178.6176.300105.6V35 K39V35-E37 PolarHBondContact O-N 2.75Å; E37-K39 PolarHBondContact O-N 2.76Å
38V51.7Low55.5Low120 Ų120133.2 Ų133.273%0.72769%0.692SS**  trans-66.690170.1178.30000104.1T36 L40T36-V38 PolarHBondContact O-N 2.92Å; V38-L40 PolarHBondContact O-N 3.07Å
39K49.3Very low55.8Low175 Ų175126.3 Ų126.376%0.76167%0.672SS**  trans-54.7109.9166.5-77.7-176.5177.1179.20105.5E37 G41E37-K39 PolarHBondContact O-N 2.76Å; K39-G41 PolarHBondContact O-N 2.77Å
40L52.5Low56.1Low174 Ų174124.2 Ų124.291%0.91167%0.665SS**THydrogen-bonded Turntrans-64.433.1162.5-77.7137.1000111V38V38-L40 PolarHBondContact O-N 3.07Å
41G52.6Low56.3Low60 Ų60129.8 Ų129.862%0.61969%0.688SS**THydrogen-bonded Turntrans-86.4-15.9-175.100000113.3K39K39-G41 PolarHBondContact O-N 2.77Å
42N57.8Low56.8Low147 Ų147123.5 Ų123.579%0.78668%0.681SS**SBendtrans-124.3119.1170.7-76.326.7000107.8
43E59.1Low57.4Low181 Ų181124.3 Ų124.385%0.84669%0.689SS**  trans-42.1122.1158.7-151.3159.9-16100107.6D45E43-D45 PolarHBondContact O-N 3.07Å; E43-D45 VanDerWaalsContact O-N 3.07Å
44P58.9Low57.9Low76 Ų76127 Ų12749%0.49469%0.69SS.*  trans-59.3121.9-178.222-30.4000107.8W46P44-W46 VanDerWaalsContact C-N 3.28Å; P44-W46 HydrophobicContact CG-CZ2 4.13Å; P44-W46 PolarHBondContact O-N 2.89Å
45D65.1Low58.5Low73 Ų73127.2 Ų127.239%0.3969%0.691SS.*  trans-65.295.3170.8-178.35.7000107.1E43 N47 Q48E43-D45 PolarHBondContact O-N 3.07Å; E43-D45 VanDerWaalsContact O-N 3.07Å; D45-N47 PolarHBondContact O-N 3.27Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.17Å; D45-N47 PolarHBondContact OD1-N 3.1Å; D45-N47 PolarHBondContact OD1-ND2 2.89Å; D45-Q48 HydrophobicContact CB-CB 4.39Å; D45-Q48 HydrophobicContact CB-CG 4.31Å; D45-Q48 PolarHBondContact O-N 3.01Å; D45-Q48 WeakPolarHBondContact OD2-CG 3.3Å; D45-Q48 PolarHBondContact OD2-NE2 3.18Å
46W63.1Low59.4Low187 Ų187128 Ų12871%0.70869%0.693SS**THydrogen-bonded Turntrans-58-15.1-179.6-65.595.3000112.5P44 I49P44-W46 VanDerWaalsContact C-N 3.28Å; P44-W46 HydrophobicContact CG-CZ2 4.13Å; P44-W46 PolarHBondContact O-N 2.89Å; W46-I49 HydrophobicContact CD2-CD1 4.38Å; W46-I49 HydrophobicContact CE3-CD1 3.51Å; W46-I49 HydrophobicContact CZ3-CD1 3.86Å
47N71.4Confident60.2Low148 Ų148126.9 Ų126.979%0.79168%0.682SS**THydrogen-bonded Turntrans-81.2-15.9174.6-51.6-56000113.5D45D45-N47 PolarHBondContact O-N 3.27Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.17Å; D45-N47 PolarHBondContact OD1-N 3.1Å; D45-N47 PolarHBondContact OD1-ND2 2.89Å
48Q65.7Low61.5Low149 Ų149126.7 Ų126.770%0.69668%0.681SS**SBendtrans-92.1-10.8177.8-78.9-179.143.200113.7D45 P50D45-Q48 HydrophobicContact CB-CB 4.39Å; D45-Q48 HydrophobicContact CB-CG 4.31Å; D45-Q48 PolarHBondContact O-N 3.01Å; D45-Q48 WeakPolarHBondContact OD2-CG 3.3Å; D45-Q48 PolarHBondContact OD2-NE2 3.18Å; Q48-P50 WeakPolarHBondContact O-CD 3.43Å
49I60.9Low62.7Low83 Ų83130.2 Ų130.243%0.42668%0.681SS.*SBendtrans-67.8115.8172.8-53.3178.8000106.3W46 I51W46-I49 HydrophobicContact CD2-CD1 4.38Å; W46-I49 HydrophobicContact CE3-CD1 3.51Å; W46-I49 HydrophobicContact CZ3-CD1 3.86Å; I49-I51 PolarHBondContact O-N 2.98Å
50P59.5Low64.1Low89 Ų89126.6 Ų126.658%0.57868%0.676SS**  trans-59.2110.6174.1-15.729000107.1Q48 G52 V53Q48-P50 WeakPolarHBondContact O-CD 3.43Å; P50-G52 VanDerWaalsContact C-N 3.3Å; P50-G52 PolarHBondContact O-N 3.18Å; P50-V53 HydrophobicContact CB-CG2 4.32Å; P50-V53 HydrophobicContact CG-CG2 4.32Å; P50-V53 PolarHBondContact O-N 2.8Å
51I56.3Low65.3Low181 Ų181122.7 Ų122.793%0.92866%0.656SS**THydrogen-bonded Turntrans-63.2100.3169.7-58174.4000104.8I49I49-I51 PolarHBondContact O-N 2.98Å
52G58.7Low66.5Low70 Ų70124.9 Ų124.972%0.72266%0.659SS**THydrogen-bonded Turntrans125.314.9-174.100000115.7P50 E54P50-G52 VanDerWaalsContact C-N 3.3Å; P50-G52 PolarHBondContact O-N 3.18Å; G52-E54 VanDerWaalsContact C-N 3.32Å; G52-E54 PolarHBondContact O-N 2.85Å
53V62.4Low67.4Low98 Ų98123.7 Ų123.759%0.59465%0.653SS**  trans-56.7109.7152.2178.60000105.6P50 V55P50-V53 HydrophobicContact CB-CG2 4.32Å; P50-V53 HydrophobicContact CG-CG2 4.32Å; P50-V53 PolarHBondContact O-N 2.8Å; V53-V55 VanDerWaalsContact C-N 3.28Å; V53-V55 PolarHBondContact O-N 2.82Å
54E63.1Low68.4Low177 Ų177117.4 Ų117.483%0.82763%0.625SS**  trans-51.4100.4169-175.1177.6-172.900106.2G52 D56G52-E54 VanDerWaalsContact C-N 3.32Å; G52-E54 PolarHBondContact O-N 2.85Å; E54-D56 PolarHBondContact O-N 2.93Å
55V66.6Low69.3Low116 Ų116118.7 Ų118.770%0.70363%0.633SS**  trans-68.2100.2169.4179.60000102.8V53 D57V53-V55 VanDerWaalsContact C-N 3.28Å; V53-V55 PolarHBondContact O-N 2.82Å; V55-D57 HydrophobicContact CG1-CB 4.21Å; V55-D57 PolarHBondContact O-N 2.88Å
56D69.8Low70Confident112 Ų112125.9 Ų125.960%0.59966%0.655SS**  trans-60.388.7164.1179.62.4000106E54 H58E54-D56 PolarHBondContact O-N 2.93Å; D56-H58 VanDerWaalsContact CG-CE1 3.44Å; D56-H58 PolarHBondContact O-N 3.28Å; D56-H58 IonicContact OD1-CE1 3.81Å; D56-H58 IonicContact OD1-CG 3.5Å; D56-H58 PolarHBondContact OD1-N 2.75Å; D56-H58 IonicContact OD1-ND1 3.79Å; D56-H58 PolarHBondContact OD1-ND1 3.3Å; D56-H58 IonicContact OD2-CE1 2.82Å; D56-H58 PolarHBondContact OD2-CE1 2.93Å; D56-H58 IonicContact OD2-ND1 3.1Å; D56-H58 PolarHBondContact OD2-ND1 2.8Å
57D68.8Low70.8Confident88 Ų88121.7 Ų121.747%0.47165%0.646SS.*  trans-81.74.4-174.373.3-1.6000111.5V55 R59V55-D57 HydrophobicContact CG1-CB 4.21Å; V55-D57 PolarHBondContact O-N 2.88Å; D57-R59 HydrophobicContact CB-CG 4.24Å; D57-R59 WeakPolarHBondContact O-CG 3.44Å; D57-R59 PolarHBondContact O-N 2.88Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.35Å; D57-R59 PolarHBondContact OD1-N 3.27Å; D57-R59 VanDerWaalsContact OD2-CD 3.29Å; D57-R59 WeakPolarHBondContact OD2-CD 3.34Å; D57-R59 IonicContact OD2-NE 3.27Å
58H79.2Confident71.1Confident156 Ų156119.4 Ų119.472%0.72263%0.633SS**  trans46.813.5-174.9-60.8-31.8000113.7D56D56-H58 VanDerWaalsContact CG-CE1 3.44Å; D56-H58 PolarHBondContact O-N 3.28Å; D56-H58 IonicContact OD1-CE1 3.81Å; D56-H58 IonicContact OD1-CG 3.5Å; D56-H58 PolarHBondContact OD1-N 2.75Å; D56-H58 IonicContact OD1-ND1 3.79Å; D56-H58 PolarHBondContact OD1-ND1 3.3Å; D56-H58 IonicContact OD2-CE1 2.82Å; D56-H58 PolarHBondContact OD2-CE1 2.93Å; D56-H58 IonicContact OD2-ND1 3.1Å; D56-H58 PolarHBondContact OD2-ND1 2.8Å
59R76.9Confident71.7Confident194 Ų194117.2 Ų117.273%0.73263%0.631SS**PPolyproline II helixtrans-73.9135.3179.5-65.5-174.4-177.6-176.5-0.6106.4D57 N61D57-R59 HydrophobicContact CB-CG 4.24Å; D57-R59 WeakPolarHBondContact O-CG 3.44Å; D57-R59 PolarHBondContact O-N 2.88Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.35Å; D57-R59 PolarHBondContact OD1-N 3.27Å; D57-R59 VanDerWaalsContact OD2-CD 3.29Å; D57-R59 WeakPolarHBondContact OD2-CD 3.34Å; D57-R59 IonicContact OD2-NE 3.27Å; R59-N61 PolarHBondContact O-N 3.02Å
60P77.2Confident72.6Confident100 Ų100118.7 Ų118.765%0.64965%0.646SS**PPolyproline II helixtrans-53133.5170.8-22.231.9000109.1P62 L67P60-P62 WeakPolarHBondContact O-CD 3.29Å; P60-P62 VanDerWaalsContact O-N 3.11Å; P60-L67 HydrophobicContact CB-CD1 3.77Å
61N78.6Confident73.5Confident92 Ų92119.7 Ų119.749%0.49265%0.653SS.*PPolyproline II helixtrans-56.9118.9175.4179.24.6000108.2R59 D63 D64R59-N61 PolarHBondContact O-N 3.02Å; N61-D63 PolarHBondContact O-N 2.92Å; N61-D63 VanDerWaalsContact O-N 3.13Å; N61-D63 WeakPolarHBondContact OD1-CB 3.31Å; N61-D63 PolarHBondContact OD1-N 2.96Å; N61-D64 HydrophobicContact CB-CB 4.43Å; N61-D64 WeakPolarHBondContact O-CB 3.29Å; N61-D64 PolarHBondContact O-N 2.93Å
62P76.7Confident74.5Confident106 Ų106116.4 Ų116.469%0.68864%0.643SS**THydrogen-bonded Turntrans-59.7-23.7177.424.5-33.9000112.3P60 D64P60-P62 WeakPolarHBondContact O-CD 3.29Å; P60-P62 VanDerWaalsContact O-N 3.11Å; P62-D64 VanDerWaalsContact C-N 3.34Å
63D77.8Confident75.2Confident122 Ų122121.7 Ų121.765%0.65265%0.649SS**THydrogen-bonded Turntrans-89.17.4177-57-45.8000113.3N61 P65N61-D63 PolarHBondContact O-N 2.92Å; N61-D63 VanDerWaalsContact O-N 3.13Å; N61-D63 WeakPolarHBondContact OD1-CB 3.31Å; N61-D63 PolarHBondContact OD1-N 2.96Å; D63-P65 WeakPolarHBondContact O-CD 3.26Å; D63-P65 VanDerWaalsContact O-N 3.12Å
64D80.3Confident75.4Confident49 Ų49123 Ų12326%0.26265%0.652SS.*  trans-62.4114.9172.6-174.2-15000108.9N61 P62 R66 L67 I68N61-D64 HydrophobicContact CB-CB 4.43Å; N61-D64 WeakPolarHBondContact O-CB 3.29Å; N61-D64 PolarHBondContact O-N 2.93Å; P62-D64 VanDerWaalsContact C-N 3.34Å; D64-R66 PolarHBondContact O-N 2.99Å; D64-R66 VanDerWaalsContact OD1-CB 3.26Å; D64-R66 WeakPolarHBondContact OD1-CB 3.14Å; D64-R66 VanDerWaalsContact OD1-CG 3.29Å; D64-R66 WeakPolarHBondContact OD1-CG 3.43Å; D64-R66 PolarHBondContact OD1-N 3.13Å; D64-L67 HydrophobicContact CB-CD1 4.1Å; D64-L67 HydrophobicContact CB-CG 4.06Å; D64-L67 WeakPolarHBondContact O-CB 3.46Å; D64-L67 PolarHBondContact O-N 3.4Å; D64-I68 PolarHBondContact O-N 3.42Å
65P78.2Confident75.4Confident103 Ų103121.5 Ų121.567%0.66965%0.649SS**THydrogen-bonded Turntrans-58.5-21.2-179.3-22.133.6000113.3D63 L67 I68D63-P65 WeakPolarHBondContact O-CD 3.26Å; D63-P65 VanDerWaalsContact O-N 3.12Å; P65-L67 VanDerWaalsContact C-N 3.27Å; P65-I68 PolarHBondContact O-N 2.85Å
66R80Confident74.9Confident223 Ų223119.1 Ų119.184%0.84265%0.648SS**THydrogen-bonded Turntrans-70.4-23.7175.1-59.7172179.8177.42.4113D64D64-R66 PolarHBondContact O-N 2.99Å; D64-R66 VanDerWaalsContact OD1-CB 3.26Å; D64-R66 WeakPolarHBondContact OD1-CB 3.14Å; D64-R66 VanDerWaalsContact OD1-CG 3.29Å; D64-R66 WeakPolarHBondContact OD1-CG 3.43Å; D64-R66 PolarHBondContact OD1-N 3.13Å
67L78.3Confident74.3Confident100 Ų100121.2 Ų121.252%0.52466%0.659SS.*THydrogen-bonded Turntrans-90.5-18176.1-61.2-180000112.2P60 D64 P65 P69P60-L67 HydrophobicContact CB-CD1 3.77Å; D64-L67 HydrophobicContact CB-CD1 4.1Å; D64-L67 HydrophobicContact CB-CG 4.06Å; D64-L67 WeakPolarHBondContact O-CB 3.46Å; D64-L67 PolarHBondContact O-N 3.4Å; P65-L67 VanDerWaalsContact C-N 3.27Å; L67-P69 VanDerWaalsContact O-CD 3.31Å; L67-P69 WeakPolarHBondContact O-CD 3.31Å
68I78.4Confident73.7Confident100 Ų100124.8 Ų124.851%0.51367%0.671SS.*SBendtrans-74118.2177.9-55.6177.8000108D64 P65D64-I68 PolarHBondContact O-N 3.42Å; P65-I68 PolarHBondContact O-N 2.85Å
69P78.4Confident72.5Confident103 Ų103122.9 Ų122.967%0.66967%0.673SS**PPolyproline II helixtrans-57.9140.9173.7-20.332000109.8L67L67-P69 VanDerWaalsContact O-CD 3.31Å; L67-P69 WeakPolarHBondContact O-CD 3.31Å
70P78.9Confident71.7Confident113 Ų113118.4 Ų118.473%0.73466%0.663SS**PPolyproline II helixtrans-57148.5173.224.7-32.6000109.7
71P79.7Confident70.9Confident110 Ų110118.1 Ų118.171%0.71466%0.661SS**PPolyproline II helixtrans-51.4144.7170.7-21.531.2000109.7E73P71-E73 PolarHBondContact O-N 3.15Å; P71-E73 VanDerWaalsContact O-N 3.15Å
72P77Confident69.9Low113 Ų113119.6 Ų119.673%0.73467%0.669SS**PPolyproline II helixtrans-54.9127.1173.222.9-31.2000108.5I74P72-I74 VanDerWaalsContact C-N 3.32Å; P72-I74 PolarHBondContact O-N 2.91Å
73E72.8Confident68.6Low180 Ų180122 Ų12284%0.84168%0.676SS**  trans-60.1103164.9-70.6178.6-170.600105.8P71 D75P71-E73 PolarHBondContact O-N 3.15Å; P71-E73 VanDerWaalsContact O-N 3.15Å; E73-D75 VanDerWaalsContact C-N 3.31Å; E73-D75 PolarHBondContact O-N 2.79Å
74I67.9Low67Low126 Ų126129.8 Ų129.865%0.64670%0.699SS**  trans-73101.3166.8-56.4174.4000103.7P72 G76 F78P72-I74 VanDerWaalsContact C-N 3.32Å; P72-I74 PolarHBondContact O-N 2.91Å; I74-G76 VanDerWaalsContact C-N 3.27Å; I74-G76 PolarHBondContact O-N 2.77Å; I74-F78 HydrophobicContact CG2-CE2 3.78Å
75D62.5Low66.4Low145 Ų145133.9 Ų133.978%0.77572%0.72SS**  trans-50.2103.5164.3-84.9-27.1000106.1E73 D77E73-D75 VanDerWaalsContact C-N 3.31Å; E73-D75 PolarHBondContact O-N 2.79Å; D75-D77 PolarHBondContact O-N 3.06Å
76G55.2Low65.8Low66 Ų66135.5 Ų135.568%0.6872%0.723SS**  trans-74.266.2-171.900000110.2I74I74-G76 VanDerWaalsContact C-N 3.27Å; I74-G76 PolarHBondContact O-N 2.77Å
77D58.1Low65Low157 Ų157130.6 Ų130.684%0.8472%0.716SS**  trans-97.646.8163.1-129.812.7000108.4D75 P79D75-D77 PolarHBondContact O-N 3.06Å; D77-P79 WeakPolarHBondContact O-CD 3.46Å
78F56.7Low64.2Low163 Ų163132.4 Ų132.472%0.71573%0.728SS**PPolyproline II helixtrans-82.4117.4159.7-74.3-71.2000106.8I74 N80I74-F78 HydrophobicContact CG2-CE2 3.78Å; F78-N80 PolarHBondContact O-N 3.31Å; F78-N80 VanDerWaalsContact O-N 3.15Å
79P53.2Low63.3Low116 Ų116134.4 Ų134.475%0.75374%0.741SS**PPolyproline II helixtrans-56.7125176.5-18.829.4000108.7D77 P81D77-P79 WeakPolarHBondContact O-CD 3.46Å; P79-P81 VanDerWaalsContact O-CD 3.26Å; P79-P81 WeakPolarHBondContact O-CD 3.31Å; P79-P81 VanDerWaalsContact O-N 3.16Å
80N59Low62.3Low100 Ų100136.5 Ų136.554%0.53575%0.746SS.*PPolyproline II helixtrans-58.3117.8171.6-175.310.4000108.2F78 D82F78-N80 PolarHBondContact O-N 3.31Å; F78-N80 VanDerWaalsContact O-N 3.15Å; N80-D82 PolarHBondContact ND2-OD2 3.15Å; N80-D82 PolarHBondContact O-N 3.38Å; N80-D82 VanDerWaalsContact O-N 3.07Å; N80-D82 PolarHBondContact OD1-N 3.38Å; N80-D82 PolarHBondContact OD1-OD2 3.21Å
81P60.8Low61.1Low93 Ų93138.2 Ų138.260%0.60475%0.747SS**THydrogen-bonded Turntrans-68.2-2.3-179.326.9-33.6000113.7P79 N83 Y84P79-P81 VanDerWaalsContact O-CD 3.26Å; P79-P81 WeakPolarHBondContact O-CD 3.31Å; P79-P81 VanDerWaalsContact O-N 3.16Å; P81-N83 PolarHBondContact O-N 3.15Å; P81-Y84 VanDerWaalsContact O-CD2 3.31Å; P81-Y84 WeakPolarHBondContact O-CD2 3.26Å
82D58.4Low59.7Low124 Ų124140.4 Ų140.466%0.66375%0.75SS**THydrogen-bonded Turntrans-73.6-2180-63.1-21.7000114.8N80 Y84N80-D82 PolarHBondContact ND2-OD2 3.15Å; N80-D82 PolarHBondContact O-N 3.38Å; N80-D82 VanDerWaalsContact O-N 3.07Å; N80-D82 PolarHBondContact OD1-N 3.38Å; N80-D82 PolarHBondContact OD1-OD2 3.21Å; D82-Y84 PolarHBondContact O-N 3.07Å; D82-Y84 VanDerWaalsContact O-N 3.15Å
83N49.7Very low58.2Low157 Ų157142.7 Ų142.784%0.8475%0.751SS**  trans-87.163.7166-70.3-20.3000110.1P81P81-N83 PolarHBondContact O-N 3.15Å
84Y44.6Very low56.9Low285 Ų285139.3 Ų139.3100%1.11874%0.743SS**  trans-89.50162.9-102.5-80.3000110.5P81 D82P81-Y84 VanDerWaalsContact O-CD2 3.31Å; P81-Y84 WeakPolarHBondContact O-CD2 3.26Å; D82-Y84 PolarHBondContact O-N 3.07Å; D82-Y84 VanDerWaalsContact O-N 3.15Å

Retrieved 84 of 84 residues in 61.6 ms (Link to these results)