A0A077ZHR8_TRITR Loading...

DUF4219 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 67 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
1M36.3Very low47.4Very low233 Ų233153.5 Ų153.5100%1.14877%0.767SS**  0890-78.5-178.8-9400105L3M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 VanDerWaalsContact O-N 3.09Å
2E41.1Very low49.1Very low180 Ų180148.8 Ų148.884%0.84176%0.76SS**  trans-69.3106177.3-58.4-59.2113.500105.7E4E2-E4 PolarHBondContact O-N 3.22Å
3L47.4Very low51.2Low158 Ų158149.6 Ų149.683%0.82776%0.759SS**  trans-56.9100.9157.7-91.7148.1000103.9M1 R5M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-R5 PolarHBondContact O-N 3.4Å
4E45.9Very low53.2Low188 Ų188143.9 Ų143.988%0.87973%0.731SS**  trans-51.795.1160.2-81.4-174.9147.200104.4E2 G6E2-E4 PolarHBondContact O-N 3.22Å; E4-G6 PolarHBondContact O-N 3.08Å
5R46.4Very low55Low203 Ų203141.2 Ų141.277%0.76671%0.709SS**  trans-66.777.3166.5-75.1-175.5-166.6-157.72.3103.8L3 F7L3-R5 PolarHBondContact O-N 3.4Å; R5-F7 HydrophobicContact CB-CD2 4.02Å; R5-F7 HydrophobicContact CB-CE2 3.97Å; R5-F7 PolarHBondContact O-N 3.21Å
6G41.8Very low56.8Low62 Ų62140.6 Ų140.664%0.63971%0.708SS**  trans-56.488.5149.100000104.1E4 V8E4-G6 PolarHBondContact O-N 3.08Å; G6-V8 PolarHBondContact O-N 3Å
7F44.7Very low58.4Low168 Ų168140.5 Ų140.574%0.73770%0.697SS**  trans-59.586.6155.1-78.3-86.6000103.3R5 Q9R5-F7 HydrophobicContact CB-CD2 4.02Å; R5-F7 HydrophobicContact CB-CE2 3.97Å; R5-F7 PolarHBondContact O-N 3.21Å; F7-Q9 PolarHBondContact O-N 3.16Å
8V49.5Very low59.7Low115 Ų115138.3 Ų138.370%0.69768%0.68SS**  trans-55.1107.4158.7177.50000101.8G6 L10G6-V8 PolarHBondContact O-N 3Å; V8-L10 HydrophobicContact CG1-CD2 4.21Å; V8-L10 PolarHBondContact O-N 2.81Å
9Q48.3Very low61Low187 Ų187135.6 Ų135.687%0.87466%0.664SS**  trans-66.682.8173.9-168.7176.42.100104.4F7 N11F7-Q9 PolarHBondContact O-N 3.16Å; Q9-N11 PolarHBondContact O-N 3.16Å
10L56.5Low62.3Low106 Ų106135.6 Ų135.656%0.55566%0.66SS**  trans-52.3119.4172-70.7173.4000104V8 S12V8-L10 HydrophobicContact CG1-CD2 4.21Å; V8-L10 PolarHBondContact O-N 2.81Å; L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.97Å
11N63.3Low63.4Low88 Ų88132 Ų13247%0.47164%0.642SS.*  trans-58.3102.4-178.8-178.3-11.1000107.1Q9 E13 N14 Y15Q9-N11 PolarHBondContact O-N 3.16Å; N11-E13 PolarHBondContact O-N 3.02Å; N11-E13 WeakPolarHBondContact OD1-CB 3.12Å; N11-E13 PolarHBondContact OD1-N 2.78Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-N14 PolarHBondContact ND2-ND2 3.33Å; N11-N14 CarbonylContact O-C 3.6Å; N11-N14 PolarHBondContact O-N 3.35Å; N11-Y15 PolarHBondContact O-N 2.75Å
12S68Low65.6Low98 Ų98122.4 Ų122.469%0.68560%0.595SS**Hα-helixtrans-63.9-26.4-173.6530000111.2L10 N14 Y15L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.97Å; S12-N14 PolarHBondContact O-N 3.05Å; S12-Y15 WeakPolarHBondContact O-CB 3.18Å; S12-Y15 PolarHBondContact O-N 3.02Å; S12-Y15 VanDerWaalsContact O-N 3.16Å
13E76.5Confident67.8Low159 Ų159116.3 Ų116.374%0.74357%0.567SS**Hα-helixtrans-58.2-38.9173.1-166.2179.287.400111.3N11N11-E13 PolarHBondContact O-N 3.02Å; N11-E13 WeakPolarHBondContact OD1-CB 3.12Å; N11-E13 PolarHBondContact OD1-N 2.78Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å
14N79.1Confident69.5Low70 Ų70111.6 Ų111.637%0.37455%0.545SS..Hα-helixtrans-94.1-8.2178.8-71.6-61.9000113.2N11 S12 L16 R17 W18N11-N14 PolarHBondContact ND2-ND2 3.33Å; N11-N14 CarbonylContact O-C 3.6Å; N11-N14 PolarHBondContact O-N 3.35Å; S12-N14 PolarHBondContact O-N 3.05Å; N14-L16 PolarHBondContact O-N 3.47Å; N14-R17 PolarHBondContact O-N 2.91Å; N14-W18 WeakPolarHBondContact O-CB 3.44Å; N14-W18 PolarHBondContact O-N 3.41Å
15Y79.6Confident71.3Confident103 Ų103105.4 Ų105.440%0.40452%0.517SS..Hα-helixtrans-59.7-46.2-177.6176.5-99000111.8N11 S12 R17 W18 K19N11-Y15 PolarHBondContact O-N 2.75Å; S12-Y15 WeakPolarHBondContact O-CB 3.18Å; S12-Y15 PolarHBondContact O-N 3.02Å; S12-Y15 VanDerWaalsContact O-N 3.16Å; Y15-R17 VanDerWaalsContact C-N 3.3Å; Y15-R17 PolarHBondContact O-N 3.4Å; Y15-W18 AromaticContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CZ3 4.14Å; Y15-W18 HydrophobicContact CE2-CE3 4.11Å; Y15-W18 AromaticContact CE2-CZ3 3.99Å; Y15-W18 HydrophobicContact CE2-CZ3 3.99Å; Y15-W18 PolarHBondContact O-N 2.81Å; Y15-K19 HydrophobicContact CE1-CB 4.45Å; Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 WeakPolarHBondContact O-CB 3.36Å; Y15-K19 PolarHBondContact O-N 3.26Å
16L84.1Confident73.1Confident132 Ų13296.7 Ų96.769%0.69149%0.485SS*.Hα-helixtrans-62-40.3178.9-69.7176.9000112N14 F20N14-L16 PolarHBondContact O-N 3.47Å; L16-F20 WeakPolarHBondContact O-CB 3.44Å; L16-F20 PolarHBondContact O-N 3.17Å
17R83.6Confident75.1Confident138 Ų13899.1 Ų99.152%0.52148%0.48SS..Hα-helixtrans-66.3-47.9176.6-179.1-178.5176.41657.8111.5N14 Y15 F20 E21N14-R17 PolarHBondContact O-N 2.91Å; Y15-R17 VanDerWaalsContact C-N 3.3Å; Y15-R17 PolarHBondContact O-N 3.4Å; R17-F20 PolarHBondContact O-N 3.48Å; R17-E21 IonicContact CZ-OE1 2.72Å; R17-E21 IonicContact NE-OE1 3.57Å; R17-E21 PolarHBondContact NE-OE1 3.15Å; R17-E21 IonicContact NH2-OE1 2.81Å; R17-E21 WeakPolarHBondContact O-CG 3.34Å; R17-E21 PolarHBondContact O-N 2.84Å
18W82.6Confident77Confident102 Ų10295 Ų9539%0.38648%0.477SS..Hα-helixtrans-62-45.1178.7174.358.3000111.1N14 Y15 F20 E21 I22 T64N14-W18 WeakPolarHBondContact O-CB 3.44Å; N14-W18 PolarHBondContact O-N 3.41Å; Y15-W18 AromaticContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CZ3 4.14Å; Y15-W18 HydrophobicContact CE2-CE3 4.11Å; Y15-W18 AromaticContact CE2-CZ3 3.99Å; Y15-W18 HydrophobicContact CE2-CZ3 3.99Å; Y15-W18 PolarHBondContact O-N 2.81Å; W18-F20 PolarHBondContact O-N 2.78Å; W18-E21 PolarHBondContact O-N 3.02Å; W18-I22 HydrophobicContact CG-CG1 4.45Å; W18-I22 HydrophobicContact CZ2-CG1 4.48Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.36Å; W18-I22 PolarHBondContact O-N 3.41Å; W18-T64 HydrophobicContact CZ2-CG2 4.15Å
19K85Confident78.6Confident86 Ų8697.6 Ų97.637%0.37447%0.474SS..Hα-helixtrans-54.7-53.4174.6-179.8176.2171.8178.50110.6Y15 E21 I22 E23Y15-K19 HydrophobicContact CE1-CB 4.45Å; Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 WeakPolarHBondContact O-CB 3.36Å; Y15-K19 PolarHBondContact O-N 3.26Å; K19-E21 PolarHBondContact O-N 3.22Å; K19-I22 PolarHBondContact O-N 3.32Å; K19-E23 VanDerWaalsContact CE-CD 3.42Å; K19-E23 WeakPolarHBondContact CE-OE1 3.15Å; K19-E23 HydrophobicContact CG-CG 4.21Å; K19-E23 IonicContact NZ-OE1 2.85Å; K19-E23 VanDerWaalsContact O-CG 3.29Å; K19-E23 WeakPolarHBondContact O-CG 3.29Å; K19-E23 PolarHBondContact O-N 2.94Å
20F85.9Confident80.2Confident135 Ų13595.8 Ų95.859%0.59247%0.471SS*.Hα-helixtrans-59.6-43.2178.5-179.4-96.6000113.1L16 R17 W18 I22 E23 T24L16-F20 WeakPolarHBondContact O-CB 3.44Å; L16-F20 PolarHBondContact O-N 3.17Å; R17-F20 PolarHBondContact O-N 3.48Å; W18-F20 PolarHBondContact O-N 2.78Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 2.68Å; F20-E23 PolarHBondContact O-N 2.97Å; F20-T24 WeakPolarHBondContact O-CB 3.39Å; F20-T24 PolarHBondContact O-N 3.47Å; F20-T24 PolarHBondContact O-OG1 3.36Å
21E85.2Confident81.4Confident61 Ų6191.1 Ų91.129%0.28545%0.447SS..Hα-helixtrans-61.1-41.7176.8-74.4179.4-171.400111.2R17 W18 K19 I25 R67R17-E21 IonicContact CZ-OE1 2.72Å; R17-E21 IonicContact NE-OE1 3.57Å; R17-E21 PolarHBondContact NE-OE1 3.15Å; R17-E21 IonicContact NH2-OE1 2.81Å; R17-E21 WeakPolarHBondContact O-CG 3.34Å; R17-E21 PolarHBondContact O-N 2.84Å; W18-E21 PolarHBondContact O-N 3.02Å; K19-E21 PolarHBondContact O-N 3.22Å; E21-I25 VanDerWaalsContact O-CD1 3.3Å; E21-I25 WeakPolarHBondContact O-CD1 3.31Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 3.42Å; E21-R67 IonicContact OE1-NH1 3.22Å; E21-R67 PolarHBondContact OE1-NH1 3.33Å; E21-R67 VanDerWaalsContact OE1-NH1 3.16Å; E21-R67 IonicContact OE2-NH1 3.66Å; E21-R67 PolarHBondContact OE2-NH1 2.84Å
22I83.2Confident82.1Confident31 Ų3190.2 Ų90.216%0.15945%0.447CS..Hα-helixtrans-70.2-46.5177.5-65.7-62.2000111.7W18 K19 F20 T24 I25 L26W18-I22 HydrophobicContact CG-CG1 4.45Å; W18-I22 HydrophobicContact CZ2-CG1 4.48Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.36Å; W18-I22 PolarHBondContact O-N 3.41Å; K19-I22 PolarHBondContact O-N 3.32Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 2.68Å; I22-T24 VanDerWaalsContact C-N 3.33Å; I22-T24 PolarHBondContact O-N 3.24Å; I22-I25 PolarHBondContact O-N 3.14Å; I22-I25 VanDerWaalsContact O-N 3.15Å; I22-L26 HydrophobicContact CG2-CD1 3.8Å; I22-L26 HydrophobicContact CG2-CG 4.21Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 2.89Å
23E86.2Confident82.6Confident53 Ų5388.2 Ų88.225%0.24843%0.429CS..Hα-helixtrans-57.4-46.4178-69.4176.7145.600110.9K19 F20 I25 L26 E27 V35K19-E23 VanDerWaalsContact CE-CD 3.42Å; K19-E23 WeakPolarHBondContact CE-OE1 3.15Å; K19-E23 HydrophobicContact CG-CG 4.21Å; K19-E23 IonicContact NZ-OE1 2.85Å; K19-E23 VanDerWaalsContact O-CG 3.29Å; K19-E23 WeakPolarHBondContact O-CG 3.29Å; K19-E23 PolarHBondContact O-N 2.94Å; F20-E23 PolarHBondContact O-N 2.97Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 3.04Å; E23-L26 PolarHBondContact O-N 2.86Å; E23-E27 WeakPolarHBondContact O-CB 3.49Å; E23-E27 WeakPolarHBondContact O-CG 3.33Å; E23-E27 PolarHBondContact O-N 2.91Å; E23-V35 HydrophobicContact CB-CG1 4.22Å; E23-V35 HydrophobicContact CG-CG1 3.97Å
24T84.7Confident82.6Confident59 Ų5982.1 Ų82.136%0.36240%0.401SS..Hα-helixtrans-60-40177.6-56.90000112.1F20 I22 A28F20-T24 WeakPolarHBondContact O-CB 3.39Å; F20-T24 PolarHBondContact O-N 3.47Å; F20-T24 PolarHBondContact O-OG1 3.36Å; I22-T24 VanDerWaalsContact C-N 3.33Å; I22-T24 PolarHBondContact O-N 3.24Å; T24-A28 WeakPolarHBondContact O-CB 3.3Å; T24-A28 PolarHBondContact O-N 2.85Å
25I83.1Confident82.4Confident57 Ų5780.6 Ų80.629%0.29239%0.394SS..Hα-helixtrans-69.6-42179.2-71.8168.2000110.9E21 I22 E23 A28 R29 L63E21-I25 VanDerWaalsContact O-CD1 3.3Å; E21-I25 WeakPolarHBondContact O-CD1 3.31Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 3.42Å; I22-I25 PolarHBondContact O-N 3.14Å; I22-I25 VanDerWaalsContact O-N 3.15Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 3.04Å; I25-A28 PolarHBondContact O-N 3.22Å; I25-R29 VanDerWaalsContact O-CG 3.25Å; I25-R29 WeakPolarHBondContact O-CG 2.77Å; I25-R29 PolarHBondContact O-N 2.88Å; I25-L63 HydrophobicContact CB-CD1 4.39Å; I25-L63 HydrophobicContact CD1-CD1 3.67Å; I25-L63 HydrophobicContact CD1-CD2 4.22Å; I25-L63 HydrophobicContact CD1-CG 4.42Å; I25-L63 HydrophobicContact CG1-CD1 4.45Å; I25-L63 HydrophobicContact CG2-CD1 3.42Å; I25-L63 VanDerWaalsContact CG2-CD1 3.42Å
26L84.4Confident82.2Confident20 Ų2079.3 Ų79.311%0.10540%0.401CS..Hα-helixtrans-64.9-43.5178.4-70.6174.8000110.7I22 E23 R29 D30 C31 L34 V35 C56I22-L26 HydrophobicContact CG2-CD1 3.8Å; I22-L26 HydrophobicContact CG2-CG 4.21Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 2.89Å; E23-L26 PolarHBondContact O-N 2.86Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 PolarHBondContact O-N 3.33Å; L26-R29 VanDerWaalsContact O-N 3.15Å; L26-D30 PolarHBondContact O-N 3.15Å; L26-C31 HydrophobicContact CB-CB 4.13Å; L26-C31 HydrophobicContact CD2-CB 3.8Å; L26-C31 PolarHBondContact O-N 3.21Å; L26-L34 HydrophobicContact CD1-CB 4.18Å; L26-L34 HydrophobicContact CD2-CD1 4.11Å; L26-V35 HydrophobicContact CB-CG2 3.52Å; L26-V35 HydrophobicContact CD1-CG2 3.94Å; L26-V35 HydrophobicContact CG-CG2 4.39Å; L26-C56 HydrophobicContact CD2-CB 4.48Å
27E84.5Confident81.4Confident113 Ų11375.5 Ų75.553%0.52839%0.393SS..Hα-helixtrans-59.2-46.4173.2-75179-177.200112.2E23 R29 D30 V35E23-E27 WeakPolarHBondContact O-CB 3.49Å; E23-E27 WeakPolarHBondContact O-CG 3.33Å; E23-E27 PolarHBondContact O-N 2.91Å; E27-R29 PolarHBondContact O-N 3.3Å; E27-D30 PolarHBondContact O-N 3Å; E27-D30 VanDerWaalsContact O-N 3.14Å; E27-V35 HydrophobicContact CG-CG2 4.37Å
28A83.7Confident80.6Confident81 Ų8176.5 Ų76.567%0.66940%0.404SS*.THydrogen-bonded Turntrans-65.9-8.5178.700000114.2T24 I25T24-A28 WeakPolarHBondContact O-CB 3.3Å; T24-A28 PolarHBondContact O-N 2.85Å; I25-A28 PolarHBondContact O-N 3.22Å
29R83.1Confident79.8Confident170 Ų17073.2 Ų73.264%0.64240%0.395SS*.THydrogen-bonded Turntrans-11511.4179.8-65.9-68-173.9169.1-1.6112.8I25 L26 E27 C31I25-R29 VanDerWaalsContact O-CG 3.25Å; I25-R29 WeakPolarHBondContact O-CG 2.77Å; I25-R29 PolarHBondContact O-N 2.88Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 PolarHBondContact O-N 3.33Å; L26-R29 VanDerWaalsContact O-N 3.15Å; E27-R29 PolarHBondContact O-N 3.3Å; R29-C31 PolarHBondContact O-N 3.03Å
30D82.1Confident78.5Confident149 Ų14976.4 Ų76.480%0.79742%0.415SS*.THydrogen-bonded Turntrans61.318.1-175.5-59.7-45.6000114.3L26 E27 S32L26-D30 PolarHBondContact O-N 3.15Å; E27-D30 PolarHBondContact O-N 3Å; E27-D30 VanDerWaalsContact O-N 3.14Å; D30-S32 PolarHBondContact O-N 3.34Å
31C81.8Confident77.1Confident9 Ų974.2 Ų74.26%0.06142%0.416CS..  trans-8840.5174.3-47.30000111.7L26 R29 D33 L34 C56L26-C31 HydrophobicContact CB-CB 4.13Å; L26-C31 HydrophobicContact CD2-CB 3.8Å; L26-C31 PolarHBondContact O-N 3.21Å; R29-C31 PolarHBondContact O-N 3.03Å; C31-D33 VanDerWaalsContact CA-OD1 3.27Å; C31-D33 WeakPolarHBondContact CA-OD1 3.43Å; C31-D33 PolarHBondContact O-N 3.3Å; C31-L34 HydrophobicContact CB-CD1 4.1Å; C31-L34 HydrophobicContact CB-CG 4.42Å; C31-L34 PolarHBondContact O-N 2.73Å; C31-C56 HydrophobicContact CB-CB 4Å; C31-C56 WeakPolarHBondContact CB-SG 3.48Å; C31-C56 WeakPolarHBondContact SG-CB 3.25Å; C31-C56 CovalentContact SG-SG 2.06Å; C31-C56 PolarHBondContact SG-SG 2.94Å
32S78.4Confident75.7Confident68 Ų6874 Ų7448%0.47642%0.421SS..Hα-helixtrans-68.8-22.2-175.4620000114.1D30 L34 V35 S36D30-S32 PolarHBondContact O-N 3.34Å; S32-L34 VanDerWaalsContact C-N 3.32Å; S32-V35 WeakPolarHBondContact O-CB 3.49Å; S32-V35 PolarHBondContact O-N 3.32Å; S32-S36 PolarHBondContact O-N 3.07Å; S32-S36 VanDerWaalsContact O-N 3.08Å; S32-S36 PolarHBondContact O-OG 3.49Å
33D77.3Confident74Confident57 Ų5776.5 Ų76.531%0.30545%0.446SS..Hα-helixtrans-60.4-39.2170.960.8-43.4000112C31 G37 T39C31-D33 VanDerWaalsContact CA-OD1 3.27Å; C31-D33 WeakPolarHBondContact CA-OD1 3.43Å; C31-D33 PolarHBondContact O-N 3.3Å; D33-G37 PolarHBondContact O-N 2.96Å; D33-T39 HydrophobicContact CB-CG2 4.32Å; D33-T39 PolarHBondContact O-OG1 2.69Å
34L76.9Confident72.2Confident30 Ų3081.4 Ų81.416%0.15748%0.48CS..Hα-helixtrans-71-33.2174.9-62.4-177.3000112.6L26 C31 S32 G37 T39 C56 Y57L26-L34 HydrophobicContact CD1-CB 4.18Å; L26-L34 HydrophobicContact CD2-CD1 4.11Å; C31-L34 HydrophobicContact CB-CD1 4.1Å; C31-L34 HydrophobicContact CB-CG 4.42Å; C31-L34 PolarHBondContact O-N 2.73Å; S32-L34 VanDerWaalsContact C-N 3.32Å; L34-G37 PolarHBondContact O-N 3.38Å; L34-T39 WeakPolarHBondContact CA-OG1 3.37Å; L34-T39 HydrophobicContact CD2-CG2 4.21Å; L34-T39 VanDerWaalsContact CD2-OG1 3.25Å; L34-T39 WeakPolarHBondContact CD2-OG1 3.15Å; L34-C56 HydrophobicContact CD1-CB 3.34Å; L34-Y57 HydrophobicContact CD2-CE2 4.36Å
35V75.1Confident70.6Confident38 Ų3881.6 Ų81.623%0.2349%0.493CS..Hα-helixtrans-67.6-41177177.60000110.8E23 L26 E27 S32 G37E23-V35 HydrophobicContact CB-CG1 4.22Å; E23-V35 HydrophobicContact CG-CG1 3.97Å; L26-V35 HydrophobicContact CB-CG2 3.52Å; L26-V35 HydrophobicContact CD1-CG2 3.94Å; L26-V35 HydrophobicContact CG-CG2 4.39Å; E27-V35 HydrophobicContact CG-CG2 4.37Å; S32-V35 WeakPolarHBondContact O-CB 3.49Å; S32-V35 PolarHBondContact O-N 3.32Å; V35-G37 PolarHBondContact O-N 3.29Å
36S74.8Confident69.1Low77 Ų7786.6 Ų86.654%0.53852%0.521SS..Hα-helixtrans-69.2-16.7-178.7-55.50000112.7S32 E38S32-S36 PolarHBondContact O-N 3.07Å; S32-S36 VanDerWaalsContact O-N 3.08Å; S32-S36 PolarHBondContact O-OG 3.49Å; S36-E38 PolarHBondContact O-N 3.44Å
37G67.6Low67.7Low51 Ų5192.5 Ų92.553%0.52655%0.548SS..THydrogen-bonded Turntrans6814.4-176.500000113.4D33 L34 V35 T39D33-G37 PolarHBondContact O-N 2.96Å; L34-G37 PolarHBondContact O-N 3.38Å; V35-G37 PolarHBondContact O-N 3.29Å; G37-T39 VanDerWaalsContact C-N 3.3Å
38E67.6Low66.3Low159 Ų15996.8 Ų96.874%0.74357%0.565SS**  trans-72.2-30.1177-66-174.9174.400111S36 L40S36-E38 PolarHBondContact O-N 3.44Å; E38-L40 PolarHBondContact O-N 3.08Å; E38-L40 VanDerWaalsContact O-N 3.07Å
39T64.8Low65.2Low34 Ų3496.2 Ų96.221%0.20955%0.553CS.*SBendtrans-71.897.7168.439.10000109.4D33 L34 G37 C41D33-T39 HydrophobicContact CB-CG2 4.32Å; D33-T39 PolarHBondContact O-OG1 2.69Å; L34-T39 WeakPolarHBondContact CA-OG1 3.37Å; L34-T39 HydrophobicContact CD2-CG2 4.21Å; L34-T39 VanDerWaalsContact CD2-OG1 3.25Å; L34-T39 WeakPolarHBondContact CD2-OG1 3.15Å; G37-T39 VanDerWaalsContact C-N 3.3Å; T39-C41 PolarHBondContact O-N 3.26Å; T39-C41 VanDerWaalsContact O-N 3.12Å
40L58.1Low64.1Low153 Ų15390.1 Ų90.180%0.80154%0.536SS*.  trans-58.4119.2165.3-68.8173000107.5E38 S42E38-L40 PolarHBondContact O-N 3.08Å; E38-L40 VanDerWaalsContact O-N 3.07Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.23Å
41C55.8Low63.2Low88 Ų8888.5 Ų88.560%0.59553%0.533SS*.  trans-64.296.7167.3-165.70000106.5T39 A43T39-C41 PolarHBondContact O-N 3.26Å; T39-C41 VanDerWaalsContact O-N 3.12Å; C41-A43 PolarHBondContact O-N 2.06Å
42S55.6Low62.3Low57 Ų5796 Ų9640%0.39957%0.567SS.*  trans-53.6117.1174.5-71.90000106.5L40 V44 E47L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.23Å; S42-V44 PolarHBondContact O-N 3.26Å; S42-E47 WeakPolarHBondContact CB-OE2 3.27Å; S42-E47 PolarHBondContact OG-OE2 3.21Å
43A47.9Very low61.4Low83 Ų8395.3 Ų95.369%0.68656%0.557SS**  trans-45.3130.8-173.500000109.1C41 G45C41-A43 PolarHBondContact O-N 2.06Å; A43-G45 VanDerWaalsContact C-N 3.35Å; A43-G45 WeakPolarHBondContact O-CA 3.18Å; A43-G45 PolarHBondContact O-N 3.26Å
44V49.7Very low60.9Low157 Ų15796.5 Ų96.595%0.95256%0.561SS**THydrogen-bonded Turntrans-40.199.9176.8171.40000108.4S42S42-V44 PolarHBondContact O-N 3.26Å
45G50Low60.5Low63 Ų6397 Ų9765%0.64957%0.573SS**THydrogen-bonded Turntrans-174.7-77.5-154.400000113.3A43A43-G45 VanDerWaalsContact C-N 3.35Å; A43-G45 WeakPolarHBondContact O-CA 3.18Å; A43-G45 PolarHBondContact O-N 3.26Å
46D51.6Low60.4Low162 Ų16296.1 Ų96.187%0.86657%0.568SS**SBendtrans-1543.4-166.9-133.3-89.3000117.9
47E54.5Low59.9Low144 Ų14496.3 Ų96.367%0.67356%0.558SS**  trans-103.1130.2-178.1-104.4178.2131.900113.7S42 V49S42-E47 WeakPolarHBondContact CB-OE2 3.27Å; S42-E47 PolarHBondContact OG-OE2 3.21Å; E47-V49 VanDerWaalsContact C-N 3.32Å; E47-V49 PolarHBondContact O-N 3.27Å
48K56.9Low59.9Low203 Ų203102.3 Ų102.388%0.88356%0.564SS**  trans-5596.9167.9-68.8-179.3178.1179.40107.8S50K48-S50 PolarHBondContact O-N 2.93Å; K48-S50 VanDerWaalsContact O-N 3.16Å
49V59.6Low59.6Low69 Ų6996.8 Ų96.842%0.41854%0.539SS..  trans-50.8124.5162.5-175.50000105.9E47 E53 E54 Y57E47-V49 VanDerWaalsContact C-N 3.32Å; E47-V49 PolarHBondContact O-N 3.27Å; V49-E53 HydrophobicContact CG1-CB 3.54Å; V49-E54 HydrophobicContact CB-CB 4.39Å; V49-E54 HydrophobicContact CG1-CB 3.78Å; V49-Y57 HydrophobicContact CG1-CD2 4.35Å
50S60.6Low59.5Low41 Ų4196.1 Ų96.129%0.28754%0.537SS..  trans-59.1146.8175.467.30000108.4K48 E52 E53 E54K48-S50 PolarHBondContact O-N 2.93Å; K48-S50 VanDerWaalsContact O-N 3.16Å; S50-E52 PolarHBondContact O-N 3.06Å; S50-E53 VanDerWaalsContact CB-OE2 3.3Å; S50-E53 WeakPolarHBondContact CB-OE2 3.2Å; S50-E53 PolarHBondContact N-OE2 2.75Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 WeakPolarHBondContact OG-CB 3.25Å; S50-E53 VanDerWaalsContact OG-CD 3.24Å; S50-E53 WeakPolarHBondContact OG-CG 3.25Å; S50-E53 PolarHBondContact OG-N 3.21Å; S50-E53 PolarHBondContact OG-OE2 2.67Å; S50-E54 PolarHBondContact O-N 2.7Å
51P62.7Low59.6Low115 Ų11593.8 Ų93.875%0.74753%0.525SS*.Hα-helixtrans-54.6-27.9-177.6-25.533.1000113.5G55P51-G55 PolarHBondContact O-N 3.12Å
52E62.1Low59.8Low166 Ų16696.8 Ų96.878%0.77652%0.524SS*.Hα-helixtrans-71.4-48.8176.8-64.2179166.200111.4S50 E54 G55 C56S50-E52 PolarHBondContact O-N 3.06Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.07Å; E52-G55 WeakPolarHBondContact O-CA 3.34Å; E52-G55 PolarHBondContact O-N 3.45Å; E52-G55 VanDerWaalsContact O-N 3.15Å; E52-C56 PolarHBondContact O-N 3.4Å; E52-C56 VanDerWaalsContact O-N 3.16Å
53E60.7Low59.9Low55 Ų5597.1 Ų97.126%0.25752%0.521SS..Hα-helixtrans-62.6-38.8174.8-70.7167.7125.200111.8V49 S50 G55 C56 Y57V49-E53 HydrophobicContact CG1-CB 3.54Å; S50-E53 VanDerWaalsContact CB-OE2 3.3Å; S50-E53 WeakPolarHBondContact CB-OE2 3.2Å; S50-E53 PolarHBondContact N-OE2 2.75Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 WeakPolarHBondContact OG-CB 3.25Å; S50-E53 VanDerWaalsContact OG-CD 3.24Å; S50-E53 WeakPolarHBondContact OG-CG 3.25Å; S50-E53 PolarHBondContact OG-N 3.21Å; S50-E53 PolarHBondContact OG-OE2 2.67Å; E53-G55 PolarHBondContact O-N 3.02Å; E53-C56 PolarHBondContact O-N 3.14Å; E53-C56 VanDerWaalsContact O-N 3.15Å; E53-Y57 VanDerWaalsContact O-CD2 3.22Å; E53-Y57 WeakPolarHBondContact O-CD2 3.41Å; E53-Y57 PolarHBondContact O-N 3.15Å
54E67.2Low60.4Low82 Ų8296 Ų9638%0.38351%0.506SS..Hα-helixtrans-62.3-36.2177.4-166.3-174.1164.800110.5V49 S50 E52 R58V49-E54 HydrophobicContact CB-CB 4.39Å; V49-E54 HydrophobicContact CG1-CB 3.78Å; S50-E54 PolarHBondContact O-N 2.7Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.07Å; E54-R58 HydrophobicContact CG-CG 4.43Å; E54-R58 WeakPolarHBondContact O-CB 3.45Å; E54-R58 WeakPolarHBondContact O-CG 3.22Å; E54-R58 PolarHBondContact O-N 2.97Å; E54-R58 IonicContact OE1-CZ 3Å; E54-R58 IonicContact OE1-NE 3.76Å; E54-R58 PolarHBondContact OE1-NE 3.16Å; E54-R58 IonicContact OE1-NH2 3.16Å; E54-R58 PolarHBondContact OE1-NH2 3.15Å
55G67.7Low60.6Low40 Ų4094.2 Ų94.241%0.41250%0.495SS..Hα-helixtrans-59.1-50.5172.300000112.4P51 E52 E53 Q59P51-G55 PolarHBondContact O-N 3.12Å; E52-G55 WeakPolarHBondContact O-CA 3.34Å; E52-G55 PolarHBondContact O-N 3.45Å; E52-G55 VanDerWaalsContact O-N 3.15Å; E53-G55 PolarHBondContact O-N 3.02Å; G55-Q59 VanDerWaalsContact O-CB 3.25Å; G55-Q59 WeakPolarHBondContact O-CB 3.41Å; G55-Q59 PolarHBondContact O-N 3.22Å; G55-Q59 VanDerWaalsContact O-N 3.14Å
56C72.5Confident60.6Low20 Ų2097 Ų9714%0.13550%0.499CS..Hα-helixtrans-63.2-44.7178.5-59.50000111.6L26 C31 L34 E52 E53 Q59 A60L26-C56 HydrophobicContact CD2-CB 4.48Å; C31-C56 HydrophobicContact CB-CB 4Å; C31-C56 WeakPolarHBondContact CB-SG 3.48Å; C31-C56 WeakPolarHBondContact SG-CB 3.25Å; C31-C56 CovalentContact SG-SG 2.06Å; C31-C56 PolarHBondContact SG-SG 2.94Å; L34-C56 HydrophobicContact CD1-CB 3.34Å; E52-C56 PolarHBondContact O-N 3.4Å; E52-C56 VanDerWaalsContact O-N 3.16Å; E53-C56 PolarHBondContact O-N 3.14Å; E53-C56 VanDerWaalsContact O-N 3.15Å; C56-Q59 PolarHBondContact O-N 3.35Å; C56-A60 PolarHBondContact O-N 3.03Å
57Y65.8Low60.4Low81 Ų8199.5 Ų99.532%0.31850%0.496SS..Hα-helixtrans-63.3-49.2179.1-84.4-68.8000113.4L34 V49 E53 Q59 A60 N61L34-Y57 HydrophobicContact CD2-CE2 4.36Å; V49-Y57 HydrophobicContact CG1-CD2 4.35Å; E53-Y57 VanDerWaalsContact O-CD2 3.22Å; E53-Y57 WeakPolarHBondContact O-CD2 3.41Å; E53-Y57 PolarHBondContact O-N 3.15Å; Y57-Q59 PolarHBondContact O-N 3.33Å; Y57-A60 PolarHBondContact O-N 2.86Å; Y57-N61 PolarHBondContact O-N 2.83Å
58R66Low60.7Low176 Ų17697.3 Ų97.366%0.66449%0.488SS*.Hα-helixtrans-59.1-35.4176.9-76.3-174.1-176.1-119.65.7111.1E54 R62E54-R58 HydrophobicContact CG-CG 4.43Å; E54-R58 WeakPolarHBondContact O-CB 3.45Å; E54-R58 WeakPolarHBondContact O-CG 3.22Å; E54-R58 PolarHBondContact O-N 2.97Å; E54-R58 IonicContact OE1-CZ 3Å; E54-R58 IonicContact OE1-NE 3.76Å; E54-R58 PolarHBondContact OE1-NE 3.16Å; E54-R58 IonicContact OE1-NH2 3.16Å; E54-R58 PolarHBondContact OE1-NH2 3.15Å; R58-R62 PolarHBondContact O-N 3.23Å
59Q63.1Low60.9Low43 Ų4391.7 Ų91.720%0.20147%0.467CS..Hα-helixtrans-74.4-43.8-178.4-172.952.729.200112.9G55 C56 Y57 N61 R62 L63G55-Q59 VanDerWaalsContact O-CB 3.25Å; G55-Q59 WeakPolarHBondContact O-CB 3.41Å; G55-Q59 PolarHBondContact O-N 3.22Å; G55-Q59 VanDerWaalsContact O-N 3.14Å; C56-Q59 PolarHBondContact O-N 3.35Å; Y57-Q59 PolarHBondContact O-N 3.33Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 2.99Å; Q59-R62 VanDerWaalsContact CD-NH2 3.3Å; Q59-R62 PolarHBondContact O-N 2.63Å; Q59-L63 HydrophobicContact CG-CD1 4.31Å; Q59-L63 WeakPolarHBondContact O-CD1 3.17Å; Q59-L63 WeakPolarHBondContact O-CG 3.44Å; Q59-L63 PolarHBondContact O-N 3.06Å
60A62.3Low60.9Low21 Ų2192.9 Ų92.917%0.17447%0.469CS..Hα-helixtrans-59.5-41.9173.900000111.4C56 Y57 L63 T64C56-A60 PolarHBondContact O-N 3.03Å; Y57-A60 PolarHBondContact O-N 2.86Å; A60-L63 PolarHBondContact O-N 3.16Å; A60-T64 PolarHBondContact O-N 3.43Å; A60-T64 PolarHBondContact O-OG1 2.72Å
61N59.4Low60.9Low103 Ų10396 Ų9655%0.55148%0.48SS*.Hα-helixtrans-63.5-43174.5-78-18.7000112.3Y57 Q59 L63 T64 V65Y57-N61 PolarHBondContact O-N 2.83Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 2.99Å; N61-L63 VanDerWaalsContact C-N 3.27Å; N61-L63 PolarHBondContact O-N 2.93Å; N61-T64 PolarHBondContact O-N 2.99Å; N61-V65 WeakPolarHBondContact O-CG2 3.3Å; N61-V65 PolarHBondContact O-N 2.85Å
62R61Low60.8Low152 Ų15294.8 Ų94.857%0.57446%0.463SS*.Hα-helixtrans-59.1-39.5176.3-170174.874.9-172.7-0.2112.2R58 Q59 T66R58-R62 PolarHBondContact O-N 3.23Å; Q59-R62 VanDerWaalsContact CD-NH2 3.3Å; Q59-R62 PolarHBondContact O-N 2.63Å; R62-T66 PolarHBondContact O-N 3.09Å; R62-T66 PolarHBondContact O-OG1 2.65Å
63L57.6Low60.8Low64 Ų6490.1 Ų90.134%0.33544%0.443SS..Hα-helixtrans-71.1-35.2179-69.2159.2000112.6I25 Q59 A60 N61I25-L63 HydrophobicContact CB-CD1 4.39Å; I25-L63 HydrophobicContact CD1-CD1 3.67Å; I25-L63 HydrophobicContact CD1-CD2 4.22Å; I25-L63 HydrophobicContact CD1-CG 4.42Å; I25-L63 HydrophobicContact CG1-CD1 4.45Å; I25-L63 HydrophobicContact CG2-CD1 3.42Å; I25-L63 VanDerWaalsContact CG2-CD1 3.42Å; Q59-L63 HydrophobicContact CG-CD1 4.31Å; Q59-L63 WeakPolarHBondContact O-CD1 3.17Å; Q59-L63 WeakPolarHBondContact O-CG 3.44Å; Q59-L63 PolarHBondContact O-N 3.06Å; A60-L63 PolarHBondContact O-N 3.16Å; N61-L63 VanDerWaalsContact C-N 3.27Å; N61-L63 PolarHBondContact O-N 2.93Å
64T57.2Low60.8Low59 Ų5992.6 Ų92.636%0.36246%0.456SS..Hα-helixtrans-74.2-32.2179-50.30000112.3W18 A60 N61W18-T64 HydrophobicContact CZ2-CG2 4.15Å; A60-T64 PolarHBondContact O-N 3.43Å; A60-T64 PolarHBondContact O-OG1 2.72Å; N61-T64 PolarHBondContact O-N 2.99Å
65V53.6Low60.3Low120 Ų12093.4 Ų93.473%0.72746%0.462SS*.Hα-helixtrans-85.4-23.2-177.7176.30000113.7N61 R67N61-V65 WeakPolarHBondContact O-CG2 3.3Å; N61-V65 PolarHBondContact O-N 2.85Å; V65-R67 PolarHBondContact O-N 2.74Å
66T50.8Low59.6Low120 Ų12097.8 Ų97.874%0.73647%0.466SS*.THydrogen-bonded Turntrans-84.49.1-176.5-41.80000113.2R62R62-T66 PolarHBondContact O-N 3.09Å; R62-T66 PolarHBondContact O-OG1 2.65Å
67R46.7Very low58.5Low215 Ų215104.9 Ų104.981%0.81150%0.496SS*.  trans-127.30-179-169.4176.8-177.6167.9-0.5111E21 V65E21-R67 IonicContact OE1-NH1 3.22Å; E21-R67 PolarHBondContact OE1-NH1 3.33Å; E21-R67 VanDerWaalsContact OE1-NH1 3.16Å; E21-R67 IonicContact OE2-NH1 3.66Å; E21-R67 PolarHBondContact OE2-NH1 2.84Å; V65-R67 PolarHBondContact O-N 2.74Å

Retrieved 67 of 67 residues in 23.2 ms (Link to these results)