A0A077ZIP5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 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
1M53.5Low77Confident164 Ų164111.8 Ų111.881%0.80858%0.578SS**  0126.60-90.5172.4150.800108.3Y3M1-Y3 HydrophobicContact CB-CE2 3.94Å; M1-Y3 WeakPolarHBondContact O-CD2 3.36Å; M1-Y3 WeakPolarHBondContact O-CE2 3.38Å
2A64.9Low78.3Confident74 Ų74105.9 Ų105.961%0.61255%0.551SS**  trans-74.3131.8175.400000110.1T9A2-T9 VanDerWaalsContact C-OG1 3.29Å; A2-T9 PolarHBondContact O-N 2.94Å; A2-T9 PolarHBondContact O-OG1 2.8Å
3Y62.3Low79.5Confident137 Ų137103.3 Ų103.354%0.53754%0.542SS..EExtended strand (participates in β ladder)trans-114.4136.9176.3-67.9-88000109.1M1 R7 R8M1-Y3 HydrophobicContact CB-CE2 3.94Å; M1-Y3 WeakPolarHBondContact O-CD2 3.36Å; M1-Y3 WeakPolarHBondContact O-CE2 3.38Å; Y3-R7 WeakPolarHBondContact CA-O 3.48Å; Y3-R7 WeakPolarHBondContact CD1-O 3.15Å; Y3-R8 HydrophobicContact CE1-CG 4.19Å
4V69.1Low80.4Confident77 Ų77106.6 Ų106.647%0.46755%0.55SS.*EExtended strand (participates in β ladder)trans-120127.2165.7177.40000105H6 R7V4-H6 VanDerWaalsContact C-N 3.28Å; V4-H6 PolarHBondContact O-N 2.64Å; V4-R7 PolarHBondContact N-O 2.68Å; V4-R7 PolarHBondContact O-N 3.45Å
5T75.3Confident81.1Confident111 Ų111104 Ų10468%0.68154%0.537SS*.THydrogen-bonded Turntrans50.741.6179.557.40000114.5R7T5-R7 PolarHBondContact O-N 3.31Å; T5-R7 VanDerWaalsContact O-N 3.13Å
6H80.1Confident81.9Confident186 Ų186105.9 Ų105.986%0.86154%0.541SS*.THydrogen-bonded Turntrans62.89.3-178.2-52.4-83.4000115.9V4V4-H6 VanDerWaalsContact C-N 3.28Å; V4-H6 PolarHBondContact O-N 2.64Å
7R82.6Confident82.6Confident139 Ų139103.1 Ų103.153%0.52553%0.527SS..EExtended strand (participates in β ladder)trans-103.2151.9172.3-64-172.3-176.8-170.61.8110.6Y3 V4 T5 T9 D15Y3-R7 WeakPolarHBondContact CA-O 3.48Å; Y3-R7 WeakPolarHBondContact CD1-O 3.15Å; V4-R7 PolarHBondContact N-O 2.68Å; V4-R7 PolarHBondContact O-N 3.45Å; T5-R7 PolarHBondContact O-N 3.31Å; T5-R7 VanDerWaalsContact O-N 3.13Å; R7-T9 PolarHBondContact O-N 2.77Å; R7-D15 IonicContact NH1-OD2 3.23Å; R7-D15 PolarHBondContact NH1-OD2 3.25Å; R7-D15 VanDerWaalsContact NH1-OD2 3.13Å
8R88.1Confident83.2Confident134 Ų134102.6 Ų102.651%0.50652%0.523SS..EExtended strand (participates in β ladder)trans-61.4134.2170.1-68.4179.7170.1-168.8-1.1108.1Y3 A10 D11 T12Y3-R8 HydrophobicContact CE1-CG 4.19Å; R8-A10 PolarHBondContact O-N 2.93Å; R8-D11 PolarHBondContact O-N 2.74Å; R8-T12 PolarHBondContact O-N 2.83Å; R8-T12 PolarHBondContact O-OG1 2.92Å
9T88.7Confident83.6Confident54 Ų54101.2 Ų101.233%0.33152%0.52SS..Hα-helixtrans-51.8-36.9-179.5-60.10000112.5A2 R7 D11 T12 V13A2-T9 VanDerWaalsContact C-OG1 3.29Å; A2-T9 PolarHBondContact O-N 2.94Å; A2-T9 PolarHBondContact O-OG1 2.8Å; R7-T9 PolarHBondContact O-N 2.77Å; T9-D11 PolarHBondContact O-N 2.75Å; T9-T12 PolarHBondContact O-N 3.5Å; T9-V13 HydrophobicContact CG2-CG2 4.25Å; T9-V13 VanDerWaalsContact O-CG2 3.26Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 2.86Å
10A91.3Very high84.2Confident73 Ų73102.6 Ų102.660%0.60352%0.52SS*.Hα-helixtrans-61.2-42.2178.100000113.3R8 V13 K14R8-A10 PolarHBondContact O-N 2.93Å; A10-V13 PolarHBondContact O-N 2.95Å; A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 3.42Å
11D91.7Very high84.7Confident81 Ų81102.5 Ų102.543%0.43351%0.513SS..Hα-helixtrans-68.5-42.8179.1-62-35.8000110.4R8 T9 V13 K14 D15R8-D11 PolarHBondContact O-N 2.74Å; T9-D11 PolarHBondContact O-N 2.75Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 2.98Å; D11-K14 WeakPolarHBondContact O-CB 3.37Å; D11-K14 PolarHBondContact O-N 3.3Å; D11-K14 VanDerWaalsContact O-N 3.16Å; D11-D15 PolarHBondContact O-N 2.89Å
12T92.5Very high86.5Confident41 Ų4196 Ų9625%0.25248%0.484SS..Hα-helixtrans-60.5-42.1175.6-52.40000112R8 T9 D15 F16R8-T12 PolarHBondContact O-N 2.83Å; R8-T12 PolarHBondContact O-OG1 2.92Å; T9-T12 PolarHBondContact O-N 3.5Å; T12-D15 PolarHBondContact O-N 3.42Å; T12-F16 VanDerWaalsContact O-CB 3.3Å; T12-F16 WeakPolarHBondContact O-CB 3.38Å; T12-F16 PolarHBondContact O-N 2.81Å
13V93.5Very high87.7Confident72 Ų7296 Ų9644%0.43648%0.476SS..Hα-helixtrans-64.7-40.6176170.20000110.9T9 A10 D11 F16 L17T9-V13 HydrophobicContact CG2-CG2 4.25Å; T9-V13 VanDerWaalsContact O-CG2 3.26Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 2.86Å; A10-V13 PolarHBondContact O-N 2.95Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 2.98Å; V13-F16 PolarHBondContact O-N 2.87Å; V13-L17 HydrophobicContact CG1-CD1 3.85Å; V13-L17 HydrophobicContact CG1-CG 4.27Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.25Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.43Å
14K92.6Very high89.1Confident150 Ų15093.2 Ų93.265%0.65248%0.475SS*.Hα-helixtrans-62.5-47.3177.6-174.7-179.1177.6-178.70111.7A10 D11 L17 M18A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 3.42Å; D11-K14 WeakPolarHBondContact O-CB 3.37Å; D11-K14 PolarHBondContact O-N 3.3Å; D11-K14 VanDerWaalsContact O-N 3.16Å; K14-L17 PolarHBondContact O-N 3.4Å; K14-M18 WeakPolarHBondContact O-CB 3.31Å; K14-M18 PolarHBondContact O-N 2.93Å
15D91Very high90.1Very high67 Ų6794 Ų9436%0.35847%0.473SS..Hα-helixtrans-62.4-44.4177.5-74.5-12.7000111.5R7 D11 T12 M18 T19R7-D15 IonicContact NH1-OD2 3.23Å; R7-D15 PolarHBondContact NH1-OD2 3.25Å; R7-D15 VanDerWaalsContact NH1-OD2 3.13Å; D11-D15 PolarHBondContact O-N 2.89Å; T12-D15 PolarHBondContact O-N 3.42Å; D15-M18 PolarHBondContact O-N 3.49Å; D15-T19 PolarHBondContact O-N 2.81Å; D15-T19 PolarHBondContact O-OG1 3.15Å
16F92.8Very high90.9Very high134 Ų13494 Ų9459%0.58848%0.476SS*.Hα-helixtrans-59.7-48.8176176-96.6000111.7T12 V13 M18 T19 Y20T12-F16 VanDerWaalsContact O-CB 3.3Å; T12-F16 WeakPolarHBondContact O-CB 3.38Å; T12-F16 PolarHBondContact O-N 2.81Å; V13-F16 PolarHBondContact O-N 2.87Å; F16-M18 VanDerWaalsContact C-N 3.33Å; F16-M18 PolarHBondContact O-N 2.87Å; F16-T19 PolarHBondContact O-N 3.05Å; F16-Y20 WeakPolarHBondContact O-CB 3.26Å; F16-Y20 PolarHBondContact O-N 2.97Å
17L94.1Very high91.4Very high58 Ų5886.5 Ų86.530%0.30444%0.444SS..Hα-helixtrans-64-38179.8-73.6174.7000112.1V13 K14 T19 R21V13-L17 HydrophobicContact CG1-CD1 3.85Å; V13-L17 HydrophobicContact CG1-CG 4.27Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.25Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.43Å; K14-L17 PolarHBondContact O-N 3.4Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-R21 VanDerWaalsContact O-CB 3.24Å; L17-R21 WeakPolarHBondContact O-CB 3.37Å; L17-R21 WeakPolarHBondContact O-CD 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.3Å; L17-R21 PolarHBondContact O-N 2.91Å
18M92.8Very high91.7Very high95 Ų9580.8 Ų80.847%0.46843%0.425SS..Hα-helixtrans-62.5-44.2175.9-172.8-102.6-85.500111.2K14 D15 F16 S22 T43K14-M18 WeakPolarHBondContact O-CB 3.31Å; K14-M18 PolarHBondContact O-N 2.93Å; D15-M18 PolarHBondContact O-N 3.49Å; F16-M18 VanDerWaalsContact C-N 3.33Å; F16-M18 PolarHBondContact O-N 2.87Å; M18-S22 WeakPolarHBondContact O-CB 3.37Å; M18-S22 PolarHBondContact O-N 3.42Å; M18-S22 VanDerWaalsContact O-N 3.16Å; M18-S22 PolarHBondContact O-OG 3.05Å; M18-T43 HydrophobicContact SD-CG2 4.11Å
19T92.5Very high91.7Very high76 Ų7676.7 Ų76.747%0.46643%0.425SS..Hα-helixtrans-65.4-50.1177.4-53.30000111.4D15 F16 L17 R21 S22 T23D15-T19 PolarHBondContact O-N 2.81Å; D15-T19 PolarHBondContact O-OG1 3.15Å; F16-T19 PolarHBondContact O-N 3.05Å; L17-T19 VanDerWaalsContact C-N 3.35Å; T19-R21 VanDerWaalsContact C-N 3.33Å; T19-R21 PolarHBondContact O-N 3.06Å; T19-S22 PolarHBondContact O-N 2.92Å; T19-S22 PolarHBondContact O-OG 3.36Å; T19-T23 WeakPolarHBondContact O-CB 3.45Å; T19-T23 PolarHBondContact O-N 2.93Å; T19-T23 PolarHBondContact O-OG1 2.79Å
20Y94.4Very high91.8Very high129 Ų12974.5 Ų74.551%0.50641%0.412SS..Hα-helixtrans-58.2-43.9178.7179.3-108.6000111.8F16 S22 P32F16-Y20 WeakPolarHBondContact O-CB 3.26Å; F16-Y20 PolarHBondContact O-N 2.97Å; Y20-S22 PolarHBondContact O-N 3.29Å; Y20-P32 HydrophobicContact CD1-CG 4.21Å; Y20-P32 HydrophobicContact CE1-CB 4.21Å; Y20-P32 HydrophobicContact CE1-CG 3.91Å; Y20-P32 VanDerWaalsContact O-CD 3.23Å; Y20-P32 WeakPolarHBondContact O-CD 3.41Å; Y20-P32 VanDerWaalsContact O-CG 3.28Å; Y20-P32 WeakPolarHBondContact O-CG 3.49Å
21R94.2Very high91.8Very high101 Ų10171.6 Ų71.638%0.38139%0.387SS..Hα-helixtrans-72.2-24-178.1-72.7171.5174.6155.1-1.5114.4L17 T19 T31 S33 L41L17-R21 VanDerWaalsContact O-CB 3.24Å; L17-R21 WeakPolarHBondContact O-CB 3.37Å; L17-R21 WeakPolarHBondContact O-CD 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.3Å; L17-R21 PolarHBondContact O-N 2.91Å; T19-R21 VanDerWaalsContact C-N 3.33Å; T19-R21 PolarHBondContact O-N 3.06Å; R21-T31 VanDerWaalsContact O-CB 3.32Å; R21-T31 WeakPolarHBondContact O-CB 3.23Å; R21-T31 PolarHBondContact O-OG1 2.78Å; R21-S33 WeakPolarHBondContact O-CB 3.41Å; R21-S33 PolarHBondContact O-N 3.11Å; R21-S33 VanDerWaalsContact O-N 3.09Å; R21-S33 PolarHBondContact O-OG 2.68Å; R21-L41 HydrophobicContact CB-CD1 3.56Å
22S91.9Very high91.8Very high27 Ų2768.5 Ų68.519%0.18937%0.371CS..Hα-helixtrans-98.6-12.3-179.2570000113.8M18 T19 Y20 T31 T43M18-S22 WeakPolarHBondContact O-CB 3.37Å; M18-S22 PolarHBondContact O-N 3.42Å; M18-S22 VanDerWaalsContact O-N 3.16Å; M18-S22 PolarHBondContact O-OG 3.05Å; T19-S22 PolarHBondContact O-N 2.92Å; T19-S22 PolarHBondContact O-OG 3.36Å; Y20-S22 PolarHBondContact O-N 3.29Å; S22-T31 VanDerWaalsContact O-CG2 3.27Å; S22-T31 WeakPolarHBondContact O-CG2 3.23Å; S22-T43 VanDerWaalsContact CB-CG2 3.47Å
23T90.7Very high91.8Very high73 Ų7366.6 Ų66.645%0.44836%0.359SS..SBendtrans-90.3125.9179.5-550000110.9T19 H25 P32T19-T23 WeakPolarHBondContact O-CB 3.45Å; T19-T23 PolarHBondContact O-N 2.93Å; T19-T23 PolarHBondContact O-OG1 2.79Å; T23-H25 PolarHBondContact O-N 2.88Å; T23-P32 WeakPolarHBondContact O-CD 3.37Å
24P90.9Very high91.7Very high80 Ų8064.6 Ų64.652%0.51935%0.346SS..PPolyproline II helixtrans-61.2132.7174.5-24.234.4000112.4T31P24-T31 HydrophobicContact CG-CG2 3.96Å
25H91.4Very high91.6Very high92 Ų9261 Ų6143%0.42633%0.334SS..PPolyproline II helixtrans-80.5140.6175.1-175.2-96.5000110.8T23 V27 P28 G29 A30T23-H25 PolarHBondContact O-N 2.88Å; H25-V27 VanDerWaalsContact C-N 3.25Å; H25-V27 PolarHBondContact ND1-N 2.97Å; H25-V27 PolarHBondContact O-N 3.46Å; H25-V27 VanDerWaalsContact O-N 3.13Å; H25-P28 HydrophobicContact CB-CG 3.9Å; H25-P28 WeakPolarHBondContact ND1-CD 3.32Å; H25-P28 WeakPolarHBondContact O-CD 3.46Å; H25-G29 VanDerWaalsContact O-CA 3.26Å; H25-G29 WeakPolarHBondContact O-CA 3.41Å; H25-G29 PolarHBondContact O-N 2.79Å; H25-A30 PolarHBondContact N-O 3.06Å
26C91Very high91.7Very high111 Ų11164 Ų6475%0.7535%0.348SS*.THydrogen-bonded Turntrans-59.5-30.7-171.763.10000114.5
27V90.2Very high91.5Very high30 Ų3063 Ų6318%0.18235%0.346CS..THydrogen-bonded Turntrans-76.7-66.3179.7179.10000111.8H25 G29 K62 V63 R66H25-V27 VanDerWaalsContact C-N 3.25Å; H25-V27 PolarHBondContact ND1-N 2.97Å; H25-V27 PolarHBondContact O-N 3.46Å; H25-V27 VanDerWaalsContact O-N 3.13Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 2.92Å; V27-K62 WeakPolarHBondContact O-CD 3.44Å; V27-K62 WeakPolarHBondContact O-CE 3.29Å; V27-K62 PolarHBondContact O-NZ 3.21Å; V27-V63 HydrophobicContact CG1-CG2 4.2Å; V27-R66 HydrophobicContact CB-CG 4.49Å; V27-R66 HydrophobicContact CG1-CB 3.68Å; V27-R66 HydrophobicContact CG1-CG 3.8Å; V27-R66 HydrophobicContact CG2-CG 3.83Å
28P89.1Confident91.2Very high18 Ų1863.1 Ų63.112%0.11736%0.36CS..THydrogen-bonded Turntrans-72.7-23.8-178.731.8-35.5000112.8H25 A30 L35 I59 V63H25-P28 HydrophobicContact CB-CG 3.9Å; H25-P28 WeakPolarHBondContact ND1-CD 3.32Å; H25-P28 WeakPolarHBondContact O-CD 3.46Å; P28-A30 HydrophobicContact CB-CB 4.41Å; P28-A30 PolarHBondContact O-N 3.2Å; P28-L35 HydrophobicContact CG-CD1 4.34Å; P28-I59 HydrophobicContact CB-CG2 3.65Å; P28-V63 HydrophobicContact CB-CG2 4.22Å
29G88.7Confident90.9Very high49 Ų4966.7 Ų66.751%0.50537%0.369SS..  trans71.72.3-17100000113.8H25 V27H25-G29 VanDerWaalsContact O-CA 3.26Å; H25-G29 WeakPolarHBondContact O-CA 3.41Å; H25-G29 PolarHBondContact O-N 2.79Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 2.92Å
30A89.4Confident90.6Very high8 Ų865.5 Ų65.57%0.06636%0.361CS..SBendtrans-103.4153.2177.800000110.9H25 P28 L34 L35 I59H25-A30 PolarHBondContact N-O 3.06Å; P28-A30 HydrophobicContact CB-CB 4.41Å; P28-A30 PolarHBondContact O-N 3.2Å; A30-L34 HydrophobicContact CB-CD2 4.13Å; A30-L35 HydrophobicContact CB-CD1 4.43Å; A30-L35 HydrophobicContact CB-CD2 3.78Å; A30-L35 HydrophobicContact CB-CG 4.02Å; A30-I59 HydrophobicContact CB-CD1 4.02Å
31T91.5Very high90.3Very high12 Ų1262.1 Ų62.17%0.07435%0.352CS..  trans-77.5149.9173.974.50000110.4R21 S22 P24 S33 L34 L35R21-T31 VanDerWaalsContact O-CB 3.32Å; R21-T31 WeakPolarHBondContact O-CB 3.23Å; R21-T31 PolarHBondContact O-OG1 2.78Å; S22-T31 VanDerWaalsContact O-CG2 3.27Å; S22-T31 WeakPolarHBondContact O-CG2 3.23Å; P24-T31 HydrophobicContact CG-CG2 3.96Å; T31-S33 PolarHBondContact O-N 2.89Å; T31-S33 PolarHBondContact OG1-OG 3.24Å; T31-L34 WeakPolarHBondContact O-CB 3.48Å; T31-L34 PolarHBondContact O-N 2.96Å; T31-L34 VanDerWaalsContact O-N 3.09Å; T31-L34 WeakPolarHBondContact OG1-CB 3.33Å; T31-L34 PolarHBondContact OG1-N 2.79Å; T31-L35 PolarHBondContact O-N 2.87Å
32P93.5Very high89.9Confident16 Ų1668.3 Ų68.310%0.10438%0.375CS..Hα-helixtrans-59-31.4174.6-25.934.7000113.4Y20 T23 L34 L35 L36Y20-P32 HydrophobicContact CD1-CG 4.21Å; Y20-P32 HydrophobicContact CE1-CB 4.21Å; Y20-P32 HydrophobicContact CE1-CG 3.91Å; Y20-P32 VanDerWaalsContact O-CD 3.23Å; Y20-P32 WeakPolarHBondContact O-CD 3.41Å; Y20-P32 VanDerWaalsContact O-CG 3.28Å; Y20-P32 WeakPolarHBondContact O-CG 3.49Å; T23-P32 WeakPolarHBondContact O-CD 3.37Å; P32-L34 VanDerWaalsContact C-N 3.32Å; P32-L34 PolarHBondContact O-N 3.25Å; P32-L35 PolarHBondContact O-N 2.89Å; P32-L36 WeakPolarHBondContact O-CB 3.45Å; P32-L36 WeakPolarHBondContact O-CG 3.37Å; P32-L36 PolarHBondContact O-N 2.82Å; P32-L36 VanDerWaalsContact O-N 3.07Å
33S92.4Very high89.6Confident0 Ų069.2 Ų69.20%038%0.38CS..Hα-helixtrans-63.6-39.7175.375.60000112.4R21 T31 H37 R39 L41R21-S33 WeakPolarHBondContact O-CB 3.41Å; R21-S33 PolarHBondContact O-N 3.11Å; R21-S33 VanDerWaalsContact O-N 3.09Å; R21-S33 PolarHBondContact O-OG 2.68Å; T31-S33 PolarHBondContact O-N 2.89Å; T31-S33 PolarHBondContact OG1-OG 3.24Å; S33-H37 WeakPolarHBondContact O-CB 3.4Å; S33-H37 PolarHBondContact O-N 2.82Å; S33-H37 PolarHBondContact O-ND1 3.39Å; S33-R39 CarbonylContact C-O 3.56Å; S33-R39 WeakPolarHBondContact CB-O 3.38Å; S33-R39 PolarHBondContact OG-O 2.9Å; S33-L41 PolarHBondContact OG-N 3.15Å
34L90.5Very high89.3Confident31 Ų3176.6 Ų76.616%0.16241%0.406CS..Hα-helixtrans-67.4-41.6-179.4-175.761.9000110.7A30 T31 P32 G38 R39 T40 V54A30-L34 HydrophobicContact CB-CD2 4.13Å; T31-L34 WeakPolarHBondContact O-CB 3.48Å; T31-L34 PolarHBondContact O-N 2.96Å; T31-L34 VanDerWaalsContact O-N 3.09Å; T31-L34 WeakPolarHBondContact OG1-CB 3.33Å; T31-L34 PolarHBondContact OG1-N 2.79Å; P32-L34 VanDerWaalsContact C-N 3.32Å; P32-L34 PolarHBondContact O-N 3.25Å; L34-G38 WeakPolarHBondContact O-CA 3.33Å; L34-G38 PolarHBondContact O-N 3.07Å; L34-R39 WeakPolarHBondContact CA-O 3.39Å; L34-R39 PolarHBondContact N-O 3.32Å; L34-T40 HydrophobicContact CB-CG2 4.39Å; L34-T40 HydrophobicContact CD1-CG2 4.27Å; L34-T40 HydrophobicContact CD2-CG2 4.33Å; L34-V54 HydrophobicContact CD1-CG2 3.41Å; L34-V54 VanDerWaalsContact CD1-CG2 3.41Å; L34-V54 HydrophobicContact CD2-CG2 3.72Å; L34-V54 HydrophobicContact CG-CG2 3.5Å
35L91.4Very high88.8Confident75 Ų7580.5 Ų80.539%0.39342%0.421SS..Hα-helixtrans-68.7-36.2178.3-62.2178.1000113.1P28 A30 T31 P32 I59P28-L35 HydrophobicContact CG-CD1 4.34Å; A30-L35 HydrophobicContact CB-CD1 4.43Å; A30-L35 HydrophobicContact CB-CD2 3.78Å; A30-L35 HydrophobicContact CB-CG 4.02Å; T31-L35 PolarHBondContact O-N 2.87Å; P32-L35 PolarHBondContact O-N 2.89Å; L35-I59 HydrophobicContact CD2-CD1 3.85Å; L35-I59 HydrophobicContact CD2-CG2 3.95Å
36L91.2Very high88Confident128 Ų12879.2 Ų79.267%0.6742%0.415SS*.Hα-helixtrans-86.9-36.8-177.5-70171.7000113.6P32P32-L36 WeakPolarHBondContact O-CB 3.45Å; P32-L36 WeakPolarHBondContact O-CG 3.37Å; P32-L36 PolarHBondContact O-N 2.82Å; P32-L36 VanDerWaalsContact O-N 3.07Å
37H89.8Confident87Confident115 Ų11577.4 Ų77.453%0.53240%0.402SS..Hα-helixtrans-124.31.9-169.2-47.397.8000113.7S33 R39S33-H37 WeakPolarHBondContact O-CB 3.4Å; S33-H37 PolarHBondContact O-N 2.82Å; S33-H37 PolarHBondContact O-ND1 3.39Å; H37-R39 HydrophobicContact CB-CG 4.21Å; H37-R39 PolarHBondContact O-N 3.31Å
38G87.3Confident85.9Confident59 Ų5982.6 Ų82.661%0.60844%0.436SS*.SBendtrans70.18-179.200000115.2L34L34-G38 WeakPolarHBondContact O-CA 3.33Å; L34-G38 PolarHBondContact O-N 3.07Å
39R87.3Confident84.7Confident171 Ų17186.3 Ų86.365%0.64546%0.458SS*.SBendtrans-137.7148.5-17963.5-179.1178.1166.3-1.5113.2S33 L34 H37S33-R39 CarbonylContact C-O 3.56Å; S33-R39 WeakPolarHBondContact CB-O 3.38Å; S33-R39 PolarHBondContact OG-O 2.9Å; L34-R39 WeakPolarHBondContact CA-O 3.39Å; L34-R39 PolarHBondContact N-O 3.32Å; H37-R39 HydrophobicContact CB-CG 4.21Å; H37-R39 PolarHBondContact O-N 3.31Å
40T85.9Confident83.4Confident51 Ų5188.1 Ų88.131%0.31347%0.468SS..PPolyproline II helixtrans-81.2139.5170.654.50000110.3L34 H46L34-T40 HydrophobicContact CB-CG2 4.39Å; L34-T40 HydrophobicContact CD1-CG2 4.27Å; L34-T40 HydrophobicContact CD2-CG2 4.33Å; T40-H46 PolarHBondContact OG1-NE2 2.93Å
41L87.7Confident82.3Confident58 Ų5892.6 Ų92.630%0.30450%0.5SS..PPolyproline II helixtrans-72.8135.1171.5-70175.2000109.8R21 S33 T43 H46R21-L41 HydrophobicContact CB-CD1 3.56Å; S33-L41 PolarHBondContact OG-N 3.15Å; L41-T43 PolarHBondContact O-N 3.46Å; L41-H46 PolarHBondContact O-CD2 3.45Å; L41-H46 VanDerWaalsContact O-CD2 3.29Å
42R85.2Confident81.2Confident231 Ų231102.2 Ų102.287%0.87254%0.535SS*.PPolyproline II helixtrans-77.5116.3172.3-64.3178.470.6150.80.9109
43T87.1Confident80.3Confident46 Ų46107.7 Ų107.728%0.28257%0.57SS.*  trans-106.5168.9171.8630000110M18 S22 L41 L45 H46M18-T43 HydrophobicContact SD-CG2 4.11Å; S22-T43 VanDerWaalsContact CB-CG2 3.47Å; L41-T43 PolarHBondContact O-N 3.46Å; T43-L45 PolarHBondContact O-N 2.93Å; T43-L45 VanDerWaalsContact O-N 3.13Å; T43-H46 WeakPolarHBondContact O-CB 3.29Å; T43-H46 PolarHBondContact O-N 3.39Å; T43-H46 VanDerWaalsContact O-N 3.1Å; T43-H46 PolarHBondContact OG1-N 3.45Å
44K83.2Confident79.7Confident228 Ų228110.3 Ų110.399%0.99159%0.586SS**THydrogen-bonded Turntrans-58.4-24.7177.7-66.1-175.2178.1-177.60113.4
45L81.1Confident79.6Confident161 Ų161113.7 Ų113.784%0.84360%0.604SS**THydrogen-bonded Turntrans-109.116.3-179.5-160.767000112.4T43 P47T43-L45 PolarHBondContact O-N 2.93Å; T43-L45 VanDerWaalsContact O-N 3.13Å; L45-P47 WeakPolarHBondContact O-CD 3.49Å
46H74.4Confident79.5Confident65 Ų65113.3 Ų113.330%0.30160%0.602SS.*  trans-70.1119.3-176.4-171.8-75000110.1T40 L41 T43T40-H46 PolarHBondContact OG1-NE2 2.93Å; L41-H46 PolarHBondContact O-CD2 3.45Å; L41-H46 VanDerWaalsContact O-CD2 3.29Å; T43-H46 WeakPolarHBondContact O-CB 3.29Å; T43-H46 PolarHBondContact O-N 3.39Å; T43-H46 VanDerWaalsContact O-N 3.1Å; T43-H46 PolarHBondContact OG1-N 3.45Å
47P69.3Low79.6Confident74 Ų74116 Ų11648%0.48160%0.604SS.*  trans-67.1147177.630-34.8000109.6L45 V49L45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-V49 HydrophobicContact CB-CG2 3.96Å; P47-V49 HydrophobicContact CG-CG2 3.98Å; P47-V49 PolarHBondContact O-N 3.26Å
48P67.1Low79.8Confident139 Ų139112.6 Ų112.690%0.90360%0.596SS**  trans-74.766.9176.832.4-35000109.9
49V63.9Low80Confident95 Ų95111.1 Ų111.158%0.57657%0.573SS**  trans-101.3127.8174.5-173.60000107.6P47 S51P47-V49 HydrophobicContact CB-CG2 3.96Å; P47-V49 HydrophobicContact CG-CG2 3.98Å; P47-V49 PolarHBondContact O-N 3.26Å; V49-S51 PolarHBondContact O-N 2.86Å
50A63.1Low80.3Confident87 Ų87110.8 Ų110.872%0.71957%0.572SS**  trans-54.3135.1172.700000110R52A50-R52 PolarHBondContact O-N 2.83Å
51S66.1Low80.8Confident103 Ų103111.7 Ų111.772%0.7257%0.573SS**  trans-56.6110.5174.752.50000109.4V49V49-S51 PolarHBondContact O-N 2.86Å
52R68.8Low81.1Confident214 Ų214113.8 Ų113.881%0.80858%0.58SS**  trans-71.8140.8173.5-76.2179.9161.9-179.4-5.2109.3A50 V54A50-R52 PolarHBondContact O-N 2.83Å; R52-V54 PolarHBondContact O-N 2.89Å
53P73.6Confident81.6Confident131 Ų131104.7 Ų104.785%0.85155%0.549SS*.  trans-58.4132.8172.724.9-32.8000109.4
54V79Confident82.1Confident55 Ų55105.6 Ų105.633%0.33356%0.555SS.*  trans-85.9115.4-178.2-177.90000108.5L34 R52 D56 I59L34-V54 HydrophobicContact CD1-CG2 3.41Å; L34-V54 VanDerWaalsContact CD1-CG2 3.41Å; L34-V54 HydrophobicContact CD2-CG2 3.72Å; L34-V54 HydrophobicContact CG-CG2 3.5Å; R52-V54 PolarHBondContact O-N 2.89Å; V54-D56 VanDerWaalsContact C-N 3.35Å; V54-D56 PolarHBondContact O-N 2.91Å; V54-D56 VanDerWaalsContact O-N 3.09Å; V54-I59 HydrophobicContact CG1-CD1 3.45Å; V54-I59 VanDerWaalsContact CG1-CD1 3.45Å
55N88.8Confident82.7Confident102 Ų102102.5 Ų102.555%0.54554%0.537SS..  trans-81.186.2168.7-171.9-24.3000109.3R57 A58 I59N55-R57 PolarHBondContact O-N 2.85Å; N55-R57 PolarHBondContact OD1-N 3.38Å; N55-A58 HydrophobicContact CB-CB 3.95Å; N55-A58 PolarHBondContact O-N 3.22Å; N55-A58 VanDerWaalsContact O-N 3.16Å; N55-A58 PolarHBondContact OD1-N 2.89Å; N55-I59 WeakPolarHBondContact O-CG1 3.22Å; N55-I59 PolarHBondContact O-N 3.34Å
56D90.7Very high83.4Confident66 Ų66100.2 Ų100.235%0.35352%0.517SS..Hα-helixtrans-57.1-38.4-177.6-173.945.5000112V54 I59 R60V54-D56 VanDerWaalsContact C-N 3.35Å; V54-D56 PolarHBondContact O-N 2.91Å; V54-D56 VanDerWaalsContact O-N 3.09Å; D56-I59 PolarHBondContact O-N 3.33Å; D56-R60 WeakPolarHBondContact O-CG 3.39Å; D56-R60 PolarHBondContact O-N 2.86Å; D56-R60 IonicContact OD1-NE 3.1Å; D56-R60 IonicContact OD2-CZ 3.77Å; D56-R60 IonicContact OD2-NE 3.3Å; D56-R60 PolarHBondContact OD2-NE 3.19Å; D56-R60 IonicContact OD2-NH2 2.68Å; D56-R60 PolarHBondContact OD2-NH2 3.27Å
57R93Very high84.4Confident185 Ų185103 Ų10370%0.69853%0.53SS*.Hα-helixtrans-60.1-50175.7-179.9178.3172.8169.83.4111.7N55 I59 R60 E61N55-R57 PolarHBondContact O-N 2.85Å; N55-R57 PolarHBondContact OD1-N 3.38Å; R57-I59 VanDerWaalsContact C-N 3.27Å; R57-I59 PolarHBondContact O-N 2.87Å; R57-R60 PolarHBondContact O-N 3.39Å; R57-E61 WeakPolarHBondContact CG-OE1 3.28Å; R57-E61 IonicContact CZ-OE1 3.06Å; R57-E61 IonicContact NE-OE1 3.13Å; R57-E61 PolarHBondContact NE-OE1 2.91Å; R57-E61 IonicContact NH2-OE1 2.72Å; R57-E61 WeakPolarHBondContact O-CG 3.47Å; R57-E61 PolarHBondContact O-N 3.04Å
58A92.6Very high85.7Confident44 Ų44104.7 Ų104.736%0.36453%0.532SS..Hα-helixtrans-61.7-36.8178.800000112.1N55 K62N55-A58 HydrophobicContact CB-CB 3.95Å; N55-A58 PolarHBondContact O-N 3.22Å; N55-A58 VanDerWaalsContact O-N 3.16Å; N55-A58 PolarHBondContact OD1-N 2.89Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.38Å
59I92.3Very high87Confident27 Ų27103.8 Ų103.814%0.13851%0.511CS..Hα-helixtrans-64.8-48.9175.2-68.7177000110.8P28 A30 L35 V54 N55 D56 R57 E61 K62 V63P28-I59 HydrophobicContact CB-CG2 3.65Å; A30-I59 HydrophobicContact CB-CD1 4.02Å; L35-I59 HydrophobicContact CD2-CD1 3.85Å; L35-I59 HydrophobicContact CD2-CG2 3.95Å; V54-I59 HydrophobicContact CG1-CD1 3.45Å; V54-I59 VanDerWaalsContact CG1-CD1 3.45Å; N55-I59 WeakPolarHBondContact O-CG1 3.22Å; N55-I59 PolarHBondContact O-N 3.34Å; D56-I59 PolarHBondContact O-N 3.33Å; R57-I59 VanDerWaalsContact C-N 3.27Å; R57-I59 PolarHBondContact O-N 2.87Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.12Å; I59-K62 PolarHBondContact O-N 3.48Å; I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.36Å; I59-V63 PolarHBondContact O-N 2.94Å
60R94.4Very high88.4Confident164 Ų164102.7 Ų102.762%0.61950%0.502SS*.Hα-helixtrans-58.6-45.8177.3-71.5179.1-168.9-158.96.4111.2D56 R57 K62 V63 T64D56-R60 WeakPolarHBondContact O-CG 3.39Å; D56-R60 PolarHBondContact O-N 2.86Å; D56-R60 IonicContact OD1-NE 3.1Å; D56-R60 IonicContact OD2-CZ 3.77Å; D56-R60 IonicContact OD2-NE 3.3Å; D56-R60 PolarHBondContact OD2-NE 3.19Å; D56-R60 IonicContact OD2-NH2 2.68Å; D56-R60 PolarHBondContact OD2-NH2 3.27Å; R57-R60 PolarHBondContact O-N 3.39Å; R60-K62 PolarHBondContact O-N 2.83Å; R60-V63 PolarHBondContact O-N 3.3Å; R60-T64 WeakPolarHBondContact O-CB 3.14Å; R60-T64 PolarHBondContact O-N 2.91Å; R60-T64 PolarHBondContact O-OG1 3.09Å; R60-T64 VanDerWaalsContact O-OG1 3.09Å
61E95.6Very high89.7Confident70 Ų70107 Ų10733%0.32750%0.5SS..Hα-helixtrans-59-44.5176.6-73177-16500112R57 I59 V63 T64 R65R57-E61 WeakPolarHBondContact CG-OE1 3.28Å; R57-E61 IonicContact CZ-OE1 3.06Å; R57-E61 IonicContact NE-OE1 3.13Å; R57-E61 PolarHBondContact NE-OE1 2.91Å; R57-E61 IonicContact NH2-OE1 2.72Å; R57-E61 WeakPolarHBondContact O-CG 3.47Å; R57-E61 PolarHBondContact O-N 3.04Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.12Å; E61-V63 PolarHBondContact O-N 3.23Å; E61-T64 PolarHBondContact O-N 3.02Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.42Å; E61-R65 IonicContact OE2-NH2 2.93Å; E61-R65 PolarHBondContact OE2-NH2 2.98Å
62K94.3Very high90.8Very high103 Ų103112 Ų11245%0.44850%0.502SS..Hα-helixtrans-62-42.7176.5-170.8178.8-174.2-162.70111.9V27 A58 I59 R60 R66V27-K62 WeakPolarHBondContact O-CD 3.44Å; V27-K62 WeakPolarHBondContact O-CE 3.29Å; V27-K62 PolarHBondContact O-NZ 3.21Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.38Å; I59-K62 PolarHBondContact O-N 3.48Å; R60-K62 PolarHBondContact O-N 2.83Å; K62-R66 WeakPolarHBondContact O-CB 3.35Å; K62-R66 PolarHBondContact O-N 3.33Å
63V95.9Very high91.9Very high39 Ų39106.6 Ų106.624%0.23648%0.483CS..Hα-helixtrans-63.6-47.9176.9171.10000110.5V27 P28 I59 R60 E61 R66 Q67V27-V63 HydrophobicContact CG1-CG2 4.2Å; P28-V63 HydrophobicContact CB-CG2 4.22Å; I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.36Å; I59-V63 PolarHBondContact O-N 2.94Å; R60-V63 PolarHBondContact O-N 3.3Å; E61-V63 PolarHBondContact O-N 3.23Å; V63-R66 PolarHBondContact O-N 3Å; V63-Q67 HydrophobicContact CG1-CG 4.33Å; V63-Q67 WeakPolarHBondContact O-CG 3.47Å; V63-Q67 PolarHBondContact O-N 2.77Å
64T96.6Very high92.5Very high65 Ų65103.4 Ų103.440%0.39946%0.461SS..Hα-helixtrans-58.8-49.8177.4-62.60000111.3R60 E61 R66 Q67 E68R60-T64 WeakPolarHBondContact O-CB 3.14Å; R60-T64 PolarHBondContact O-N 2.91Å; R60-T64 PolarHBondContact O-OG1 3.09Å; R60-T64 VanDerWaalsContact O-OG1 3.09Å; E61-T64 PolarHBondContact O-N 3.02Å; T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.4Å; T64-Q67 PolarHBondContact O-N 3.44Å; T64-Q67 VanDerWaalsContact O-N 3.12Å; T64-E68 HydrophobicContact CG2-CG 4.4Å; T64-E68 WeakPolarHBondContact O-CG 3.37Å; T64-E68 PolarHBondContact O-N 3.13Å
65R96.6Very high92.8Very high163 Ų163103 Ų10362%0.61546%0.461SS*.Hα-helixtrans-56.4-41.8176.3-71.2177.9-149.4176.18.1111.9E61 Y69E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.42Å; E61-R65 IonicContact OE2-NH2 2.93Å; E61-R65 PolarHBondContact OE2-NH2 2.98Å; R65-Y69 WeakPolarHBondContact O-CB 3.44Å; R65-Y69 PolarHBondContact O-N 3.45Å
66R96.2Very high92.5Very high113 Ų113101.4 Ų101.443%0.42647%0.468SS..Hα-helixtrans-67.8-41.9178-176.458.7174.4-173.5-1.5111.9V27 K62 V63 T64 Y69 L70V27-R66 HydrophobicContact CB-CG 4.49Å; V27-R66 HydrophobicContact CG1-CB 3.68Å; V27-R66 HydrophobicContact CG1-CG 3.8Å; V27-R66 HydrophobicContact CG2-CG 3.83Å; K62-R66 WeakPolarHBondContact O-CB 3.35Å; K62-R66 PolarHBondContact O-N 3.33Å; V63-R66 PolarHBondContact O-N 3Å; T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.4Å; R66-Y69 PolarHBondContact O-N 3.36Å; R66-L70 HydrophobicContact CG-CD1 4.22Å; R66-L70 WeakPolarHBondContact O-CB 2.89Å; R66-L70 VanDerWaalsContact O-CG 3.29Å; R66-L70 WeakPolarHBondContact O-CG 3.16Å; R66-L70 PolarHBondContact O-N 3.07Å
67Q95.7Very high92Very high123 Ų123105.2 Ų105.258%0.57548%0.482SS*.Hα-helixtrans-63.6-41.9176.6-73.7176.5-8.700111.5V63 T64 L70 R71V63-Q67 HydrophobicContact CG1-CG 4.33Å; V63-Q67 WeakPolarHBondContact O-CG 3.47Å; V63-Q67 PolarHBondContact O-N 2.77Å; T64-Q67 PolarHBondContact O-N 3.44Å; T64-Q67 VanDerWaalsContact O-N 3.12Å; Q67-L70 PolarHBondContact O-N 3.16Å; Q67-R71 WeakPolarHBondContact O-CB 3.17Å; Q67-R71 PolarHBondContact O-N 3.23Å
68E95.7Very high90.7Very high111 Ų111103.2 Ų103.252%0.51948%0.478SS..Hα-helixtrans-64.1-45.8174.8-73.2174.2174.900112.1T64 L70 R71 R72T64-E68 HydrophobicContact CG2-CG 4.4Å; T64-E68 WeakPolarHBondContact O-CG 3.37Å; T64-E68 PolarHBondContact O-N 3.13Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.99Å; E68-R71 WeakPolarHBondContact O-CB 3.48Å; E68-R71 PolarHBondContact O-N 3.37Å; E68-R72 WeakPolarHBondContact O-CG 3.44Å; E68-R72 PolarHBondContact O-N 3.38Å
69Y95.1Very high89.4Confident119 Ų119110.5 Ų110.547%0.46750%0.501SS..Hα-helixtrans-55.7-50.1173.2167.9-94.2000111R65 R66 R71 R72 Y73R65-Y69 WeakPolarHBondContact O-CB 3.44Å; R65-Y69 PolarHBondContact O-N 3.45Å; R66-Y69 PolarHBondContact O-N 3.36Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.28Å; Y69-R72 PolarHBondContact O-N 2.89Å; Y69-Y73 VanDerWaalsContact O-CB 3.25Å; Y69-Y73 WeakPolarHBondContact O-CB 3.35Å; Y69-Y73 PolarHBondContact O-N 2.8Å
70L92.6Very high88.2Confident73 Ų73113.3 Ų113.338%0.38251%0.51SS..Hα-helixtrans-63.3-40.5179.5-72.1174.5000111.5R66 Q67 E68 Y73 V74R66-L70 HydrophobicContact CG-CD1 4.22Å; R66-L70 WeakPolarHBondContact O-CB 2.89Å; R66-L70 VanDerWaalsContact O-CG 3.29Å; R66-L70 WeakPolarHBondContact O-CG 3.16Å; R66-L70 PolarHBondContact O-N 3.07Å; Q67-L70 PolarHBondContact O-N 3.16Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.99Å; L70-Y73 PolarHBondContact O-N 3.14Å; L70-V74 WeakPolarHBondContact O-CB 3.32Å; L70-V74 VanDerWaalsContact O-CG2 3.23Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 3.05Å
71R89.5Confident87.1Confident178 Ų178113 Ų11367%0.67252%0.521SS*.Hα-helixtrans-57.6-50.6174.4-177-179.4178.2-171.7-2.7110.9Q67 E68 Y69 S75Q67-R71 WeakPolarHBondContact O-CB 3.17Å; Q67-R71 PolarHBondContact O-N 3.23Å; E68-R71 WeakPolarHBondContact O-CB 3.48Å; E68-R71 PolarHBondContact O-N 3.37Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.28Å; R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.49Å; R71-S75 PolarHBondContact O-N 2.81Å; R71-S75 PolarHBondContact O-OG 3.29Å; R71-S75 VanDerWaalsContact O-OG 3.11Å
72R90.9Very high86.1Confident206 Ų206112.6 Ų112.678%0.77752%0.52SS*.Hα-helixtrans-63.4-45.8178.1-70176.366.6-175.61.1112.1E68 Y69 V74 S75 G76E68-R72 WeakPolarHBondContact O-CG 3.44Å; E68-R72 PolarHBondContact O-N 3.38Å; Y69-R72 PolarHBondContact O-N 2.89Å; R72-V74 PolarHBondContact O-N 3.29Å; R72-S75 PolarHBondContact O-N 3.46Å; R72-G76 PolarHBondContact O-N 3.09Å
73Y91Very high85.4Confident101 Ų101110.2 Ų110.240%0.39652%0.515SS..Hα-helixtrans-58.9-48.4178.6176.3-92.4000111.7Y69 L70 G76 K77Y69-Y73 VanDerWaalsContact O-CB 3.25Å; Y69-Y73 WeakPolarHBondContact O-CB 3.35Å; Y69-Y73 PolarHBondContact O-N 2.8Å; L70-Y73 PolarHBondContact O-N 3.14Å; Y73-G76 PolarHBondContact O-N 2.72Å; Y73-K77 HydrophobicContact CE1-CD 3.89Å; Y73-K77 HydrophobicContact CE1-CG 4.5Å; Y73-K77 HydrophobicContact CE2-CD 3.89Å; Y73-K77 VanDerWaalsContact CE2-CE 3.46Å; Y73-K77 HydrophobicContact CE2-CG 4.39Å; Y73-K77 VanDerWaalsContact CZ-CD 3.49Å; Y73-K77 VanDerWaalsContact CZ-CE 3.42Å; Y73-K77 WeakPolarHBondContact O-CB 3.38Å; Y73-K77 PolarHBondContact O-N 3.49Å; Y73-K77 VanDerWaalsContact OH-CE 3.27Å; Y73-K77 WeakPolarHBondContact OH-CE 3.4Å; Y73-K77 PolarHBondContact OH-NZ 3.01Å
74V87Confident84.9Confident65 Ų65115.8 Ų115.839%0.39454%0.539SS..Hα-helixtrans-67.8-43.7179.71730000110.9L70 R72 G76 K78L70-V74 WeakPolarHBondContact O-CB 3.32Å; L70-V74 VanDerWaalsContact O-CG2 3.23Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 3.05Å; R72-V74 PolarHBondContact O-N 3.29Å; V74-G76 VanDerWaalsContact C-N 3.3Å; V74-G76 PolarHBondContact O-N 2.74Å; V74-K78 HydrophobicContact CG1-CD 4.11Å; V74-K78 WeakPolarHBondContact O-CB 3.35Å; V74-K78 PolarHBondContact O-N 3.19Å
75S83.5Confident84.6Confident46 Ų46113.3 Ų113.332%0.32252%0.523SS..Hα-helixtrans-62.9-34.7176.3-70.50000112.9R71 R72 R80R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.49Å; R71-S75 PolarHBondContact O-N 2.81Å; R71-S75 PolarHBondContact O-OG 3.29Å; R71-S75 VanDerWaalsContact O-OG 3.11Å; R72-S75 PolarHBondContact O-N 3.46Å; S75-R80 PolarHBondContact OG-NH1 3.17Å
76G83.2Confident84.3Confident68 Ų68108.2 Ų108.270%0.70151%0.512SS*.Hα-helixtrans-78.5-38.6178.500000113.9R72 Y73 V74R72-G76 PolarHBondContact O-N 3.09Å; Y73-G76 PolarHBondContact O-N 2.72Å; V74-G76 VanDerWaalsContact C-N 3.3Å; V74-G76 PolarHBondContact O-N 2.74Å
77K79.9Confident84.2Confident147 Ų147106.1 Ų106.164%0.63952%0.519SS*.Hα-helixtrans-79.3-37.2-179.6-78.8-154.4172.8-1720113.8Y73Y73-K77 HydrophobicContact CE1-CD 3.89Å; Y73-K77 HydrophobicContact CE1-CG 4.5Å; Y73-K77 HydrophobicContact CE2-CD 3.89Å; Y73-K77 VanDerWaalsContact CE2-CE 3.46Å; Y73-K77 HydrophobicContact CE2-CG 4.39Å; Y73-K77 VanDerWaalsContact CZ-CD 3.49Å; Y73-K77 VanDerWaalsContact CZ-CE 3.42Å; Y73-K77 WeakPolarHBondContact O-CB 3.38Å; Y73-K77 PolarHBondContact O-N 3.49Å; Y73-K77 VanDerWaalsContact OH-CE 3.27Å; Y73-K77 WeakPolarHBondContact OH-CE 3.4Å; Y73-K77 PolarHBondContact OH-NZ 3.01Å
78K65.9Low84.1Confident142 Ų142102.7 Ų102.762%0.61752%0.517SS*.SBendtrans-86117.3176.5-70.8-172.7175.6-177.50107.5V74 R80V74-K78 HydrophobicContact CG1-CD 4.11Å; V74-K78 WeakPolarHBondContact O-CB 3.35Å; V74-K78 PolarHBondContact O-N 3.19Å; K78-R80 HydrophobicContact CB-CG 4.13Å; K78-R80 PolarHBondContact O-N 3.45Å
79K65Low84Confident197 Ų19799.2 Ų99.286%0.85750%0.502SS*.  trans-58.589.5152.9-67.4-173.8-178.9-176.50106.1N81K79-N81 PolarHBondContact O-N 3.48Å
80R68.5Low84Confident87 Ų8797.6 Ų97.633%0.32850%0.504SS..  trans-68.9101.7178.9-72.1177.563.7-179.4-9.4105.3S75 K78 L82 E118S75-R80 PolarHBondContact OG-NH1 3.17Å; K78-R80 HydrophobicContact CB-CG 4.13Å; K78-R80 PolarHBondContact O-N 3.45Å; R80-L82 HydrophobicContact CB-CD1 3.97Å; R80-L82 HydrophobicContact CB-CG 4.05Å; R80-L82 PolarHBondContact O-N 3.47Å; R80-E118 IonicContact CZ-OE1 3.8Å; R80-E118 IonicContact CZ-OE2 3.83Å; R80-E118 VanDerWaalsContact CZ-OE2 3.23Å; R80-E118 IonicContact NE-OE1 3.9Å; R80-E118 IonicContact NH1-OE1 3.98Å; R80-E118 PolarHBondContact NH1-OE1 2.99Å; R80-E118 IonicContact NH1-OE2 3.84Å; R80-E118 PolarHBondContact NH1-OE2 3.27Å; R80-E118 IonicContact NH2-OE1 3.3Å; R80-E118 PolarHBondContact NH2-OE1 3.4Å; R80-E118 IonicContact NH2-OE2 2.98Å; R80-E118 PolarHBondContact NH2-OE2 2.82Å
81N70.1Confident84Confident157 Ų15794.1 Ų94.184%0.8449%0.486SS*.  trans-70.168170-66.1-17.9000108.1K79K79-N81 PolarHBondContact O-N 3.48Å
82L74.9Confident84.2Confident61 Ų6188.9 Ų88.932%0.31947%0.467SS..  trans-74.1125.4172.1-73.3156.5000106.7R80 H84 E118 A119R80-L82 HydrophobicContact CB-CD1 3.97Å; R80-L82 HydrophobicContact CB-CG 4.05Å; R80-L82 PolarHBondContact O-N 3.47Å; L82-H84 PolarHBondContact O-N 3.22Å; L82-E118 HydrophobicContact CD1-CG 3.85Å; L82-A119 HydrophobicContact CD2-CB 3.46Å; L82-A119 VanDerWaalsContact CD2-CB 3.46Å
83P79.2Confident84.2Confident53 Ų5379.2 Ų79.234%0.34443%0.431SS..  trans-64.2137.3173.729.5-34.2000108.6L85 A131P83-L85 HydrophobicContact CB-CD1 4.17Å; P83-L85 HydrophobicContact CB-CD2 4.32Å; P83-L85 HydrophobicContact CB-CG 3.88Å; P83-L85 HydrophobicContact CG-CD1 3.71Å; P83-L85 HydrophobicContact CG-CG 3.91Å; P83-L85 PolarHBondContact O-N 3.09Å; P83-A131 HydrophobicContact CG-CB 3.89Å
84H85.4Confident84.1Confident157 Ų15779.9 Ų79.973%0.72743%0.433SS*.  trans-74.880.3175.9-174.873.6000109.3L82 R136L82-H84 PolarHBondContact O-N 3.22Å; H84-R136 VanDerWaalsContact O-CZ 3.24Å; H84-R136 PolarHBondContact O-NH1 3.29Å; H84-R136 PolarHBondContact O-NH2 3.39Å
85L90.2Very high83.8Confident13 Ų1378.2 Ų78.27%0.06842%0.421CS..  trans-105.7136.2-179.5-58.7175.6000111P83 D89 V91 I112 Y121 L134 R136P83-L85 HydrophobicContact CB-CD1 4.17Å; P83-L85 HydrophobicContact CB-CD2 4.32Å; P83-L85 HydrophobicContact CB-CG 3.88Å; P83-L85 HydrophobicContact CG-CD1 3.71Å; P83-L85 HydrophobicContact CG-CG 3.91Å; P83-L85 PolarHBondContact O-N 3.09Å; L85-D89 WeakPolarHBondContact CA-OD2 3.36Å; L85-V91 HydrophobicContact CD1-CG1 4.43Å; L85-V91 HydrophobicContact CD2-CG1 3.9Å; L85-I112 HydrophobicContact CB-CD1 3.69Å; L85-I112 HydrophobicContact CD1-CD1 4.03Å; L85-I112 HydrophobicContact CD2-CD1 4.45Å; L85-I112 HydrophobicContact CG-CD1 4.26Å; L85-Y121 HydrophobicContact CB-CE1 3.87Å; L85-Y121 HydrophobicContact CB-CE2 4.43Å; L85-Y121 HydrophobicContact CD1-CD2 4.4Å; L85-Y121 HydrophobicContact CD1-CE2 4.02Å; L85-L134 HydrophobicContact CD1-CB 4.19Å; L85-L134 HydrophobicContact CD1-CD1 3.68Å; L85-R136 HydrophobicContact CD2-CG 4.1Å
86S91.5Very high83.4Confident55 Ų5580.6 Ų80.639%0.38544%0.435SS..  trans-122.2161.1-178.6-67.30000111.1D89S86-D89 PolarHBondContact N-OD2 3.07Å; S86-D89 WeakPolarHBondContact O-CB 3.27Å; S86-D89 VanDerWaalsContact O-CG 3.3Å; S86-D89 PolarHBondContact O-N 3.24Å
87A93.6Very high82.7Confident69 Ų6981.5 Ų81.557%0.5743%0.43SS*.THydrogen-bonded Turntrans-60.6137.8170.100000110.1Q113A87-Q113 WeakPolarHBondContact CB-O 3.25Å
88G94.2Very high81.6Confident52 Ų5279.2 Ų79.254%0.53643%0.433SS..THydrogen-bonded Turntrans94.3-16.2-173.800000114.5V90 I112G88-V90 PolarHBondContact O-N 3.33Å; G88-I112 PolarHBondContact N-O 3.32Å
89D93.3Very high81.3Confident38 Ų3875.9 Ų75.920%0.20343%0.432CS..  trans-65.5137.4178-71-18.6000111.9L85 S86 V91 I111 I112 R136L85-D89 WeakPolarHBondContact CA-OD2 3.36Å; S86-D89 PolarHBondContact N-OD2 3.07Å; S86-D89 WeakPolarHBondContact O-CB 3.27Å; S86-D89 VanDerWaalsContact O-CG 3.3Å; S86-D89 PolarHBondContact O-N 3.24Å; D89-V91 HydrophobicContact CB-CG1 4.44Å; D89-I111 WeakPolarHBondContact O-CA 3.32Å; D89-I112 HydrophobicContact CB-CD1 4.13Å; D89-I112 HydrophobicContact CB-CG1 4.38Å; D89-I112 PolarHBondContact O-N 3.24Å; D89-R136 IonicContact OD1-NH2 3.76Å; D89-R136 IonicContact OD2-CZ 3.65Å; D89-R136 IonicContact OD2-NE 3.05Å; D89-R136 IonicContact OD2-NH2 2.64Å; D89-R136 PolarHBondContact OD2-NH2 3.13Å
90V94.5Very high81.2Confident84 Ų8477.1 Ų77.151%0.50944%0.437SS..EExtended strand (participates in β ladder)trans-82.7120.8167.5-176.20000108.6G88 P109 T110 I111G88-V90 PolarHBondContact O-N 3.33Å; V90-P109 HydrophobicContact CG1-CB 4.3Å; V90-T110 WeakPolarHBondContact CA-O 3.23Å; V90-I111 HydrophobicContact CG2-CG1 4.26Å
91V93.6Very high80.8Confident0 Ų076.4 Ų76.40%046%0.457CS..EExtended strand (participates in β ladder)trans-128.8149.8177.8-66.70000110.5L85 D89 P109 T110 I112 M123 L134 R136L85-V91 HydrophobicContact CD1-CG1 4.43Å; L85-V91 HydrophobicContact CD2-CG1 3.9Å; D89-V91 HydrophobicContact CB-CG1 4.44Å; V91-P109 CarbonylContact O-C 3.59Å; V91-P109 WeakPolarHBondContact O-CA 3.41Å; V91-T110 HydrophobicContact CG2-CG2 4.11Å; V91-T110 PolarHBondContact N-O 2.94Å; V91-T110 PolarHBondContact O-N 2.9Å; V91-I112 HydrophobicContact CG1-CD1 3.84Å; V91-I112 HydrophobicContact CG1-CG1 4.16Å; V91-I112 HydrophobicContact CG2-CD1 4.16Å; V91-I112 HydrophobicContact CG2-CG1 3.71Å; V91-M123 HydrophobicContact CG2-SD 3.85Å; V91-L134 HydrophobicContact CB-CB 4.46Å; V91-L134 HydrophobicContact CG2-CD1 4.44Å; V91-L134 HydrophobicContact CG2-CD2 3.95Å; V91-R136 HydrophobicContact CG1-CG 4.45Å
92Y92.4Very high80.2Confident68 Ų6875.7 Ų75.727%0.26745%0.448SS..EExtended strand (participates in β ladder)trans-91.2130171.5-69.8-99.4000109W107 Q108 P109 L134 A135 R137Y92-W107 HydrophobicContact CD1-CB 4.13Å; Y92-W107 VanDerWaalsContact O-CZ3 3.26Å; Y92-W107 WeakPolarHBondContact O-CZ3 3.33Å; Y92-Q108 WeakPolarHBondContact CA-O 3.28Å; Y92-P109 HydrophobicContact CD1-CB 4.24Å; Y92-P109 HydrophobicContact CE1-CB 3.88Å; Y92-P109 HydrophobicContact CE1-CG 4.24Å; Y92-L134 CarbonylContact O-C 3.43Å; Y92-L134 WeakPolarHBondContact O-CA 3.21Å; Y92-A135 PolarHBondContact N-O 3Å; Y92-A135 PolarHBondContact O-N 3.13Å; Y92-R137 HydrophobicContact CD2-CB 3.9Å; Y92-R137 HydrophobicContact CD2-CG 3.91Å; Y92-R137 HydrophobicContact CE2-CB 3.67Å; Y92-R137 HydrophobicContact CE2-CG 4.13Å; Y92-R137 HydrophobicContact CG-CG 4.4Å
93T91.3Very high79.4Confident4 Ų478.3 Ų78.33%0.02547%0.472CS..EExtended strand (participates in β ladder)trans-96.6132.1176.7500000110.7Q95 W107 Q108 T110 M123 W129 L134T93-Q95 PolarHBondContact O-N 3.02Å; T93-Q95 VanDerWaalsContact O-N 3.15Å; T93-Q95 PolarHBondContact OG1-NE2 3.27Å; T93-W107 VanDerWaalsContact C-CE3 3.5Å; T93-W107 WeakPolarHBondContact O-CA 3.3Å; T93-Q108 PolarHBondContact N-O 2.92Å; T93-Q108 PolarHBondContact O-N 2.98Å; T93-Q108 PolarHBondContact OG1-O 3.39Å; T93-T110 HydrophobicContact CG2-CG2 3.6Å; T93-M123 HydrophobicContact CG2-CG 4.41Å; T93-M123 HydrophobicContact CG2-SD 4.2Å; T93-W129 HydrophobicContact CG2-CD2 4.02Å; T93-W129 HydrophobicContact CG2-CG 4.01Å; T93-W129 HydrophobicContact CG2-CZ2 4.46Å; T93-L134 HydrophobicContact CG2-CD2 3.64Å
94R87.9Confident78.6Confident115 Ų11585.7 Ų85.743%0.43449%0.493SS..EExtended strand (participates in β ladder)trans-74.5101.1174.7-169.5176.6132.4-1284.4109.6P105 W107 W129 N133R94-P105 HydrophobicContact CG-CB 3.49Å; R94-P105 VanDerWaalsContact CG-CB 3.49Å; R94-P105 HydrophobicContact CG-CG 3.6Å; R94-W107 HydrophobicContact CB-CD2 4.43Å; R94-W107 HydrophobicContact CB-CE3 4.1Å; R94-W107 HydrophobicContact CB-CH2 3.63Å; R94-W107 HydrophobicContact CB-CZ2 3.92Å; R94-W107 HydrophobicContact CB-CZ3 3.7Å; R94-W107 HydrophobicContact CG-CH2 4.17Å; R94-W107 HydrophobicContact CG-CZ2 3.97Å; R94-W129 WeakPolarHBondContact O-CH2 3.42Å; R94-W129 WeakPolarHBondContact O-CZ3 3.4Å; R94-N133 HydrophobicContact CB-CB 4.24Å; R94-N133 PolarHBondContact N-O 3.42Å; R94-N133 PolarHBondContact NH1-OD1 3.23Å
95Q82.5Confident77.6Confident30 Ų3080.1 Ų80.114%0.1447%0.471CS..  trans-64140.1176.5-60.5-57.1-48.500110T93 S97 P105 S106 Q108T93-Q95 PolarHBondContact O-N 3.02Å; T93-Q95 VanDerWaalsContact O-N 3.15Å; T93-Q95 PolarHBondContact OG1-NE2 3.27Å; Q95-S97 PolarHBondContact O-N 2.73Å; Q95-P105 WeakPolarHBondContact O-CB 3.37Å; Q95-S106 WeakPolarHBondContact CB-O 3.43Å; Q95-S106 WeakPolarHBondContact CG-O 3.21Å; Q95-S106 PolarHBondContact N-O 3.36Å; Q95-Q108 HydrophobicContact CG-CG 4.29Å
96P75Confident76.9Confident96 Ų9682.8 Ų82.862%0.62349%0.491SS*.  trans-56.6133.9169.525.7-32.6000108.1S98P96-S98 PolarHBondContact O-N 3.04Å
97S67.7Low76.6Confident87 Ų8783.8 Ų83.861%0.60849%0.486SS*.  trans-61.1111.7-178.654.30000109.8Q95 A99Q95-S97 PolarHBondContact O-N 2.73Å; S97-A99 PolarHBondContact O-N 3.36Å
98S57.6Low76.2Confident98 Ų9885.4 Ų85.469%0.68548%0.482SS*.  trans-69.7120.3168.6-43.90000108.2P96 H102P96-S98 PolarHBondContact O-N 3.04Å; S98-H102 PolarHBondContact O-CD2 3.26Å
99A59.7Low76.1Confident73 Ų7386.8 Ų86.860%0.60348%0.482SS*.SBendtrans62140.8174.400000118S97 G101S97-A99 PolarHBondContact O-N 3.36Å; A99-G101 PolarHBondContact O-N 3.16Å; A99-G101 VanDerWaalsContact O-N 3.14Å
100K61.6Low76.1Confident222 Ų22286 Ų8697%0.96548%0.478SS*.THydrogen-bonded Turntrans-58.5113.8173-173.6-177.9-176.8-176.30108.9
101G61.7Low76.1Confident73 Ų7386 Ų8675%0.75347%0.474SS*.THydrogen-bonded Turntrans132.6-14.9174.400000116.1A99A99-G101 PolarHBondContact O-N 3.16Å; A99-G101 VanDerWaalsContact O-N 3.14Å
102H56.9Low76.2Confident141 Ų14186 Ų8665%0.65348%0.475SS*.  trans-89113.2172.8-65.4-68.8000110.5S98 R104S98-H102 PolarHBondContact O-CD2 3.26Å; H102-R104 VanDerWaalsContact C-N 3.27Å; H102-R104 PolarHBondContact O-N 2.84Å
103S57.5Low76.4Confident116 Ų11688.2 Ų88.281%0.81149%0.487SS*.SBendtrans-73.7-9.2-165.967.30000115.3
104R62.5Low76.6Confident208 Ų20890.3 Ų90.379%0.78550%0.502SS*.SBendtrans-140.2131-179.6-65.2-177.4174.3135-1.3110.5H102 S106H102-R104 VanDerWaalsContact C-N 3.27Å; H102-R104 PolarHBondContact O-N 2.84Å; R104-S106 PolarHBondContact O-N 3.43Å
105P64.1Low76.9Confident40 Ų4090 Ų9026%0.2651%0.505SS..  trans-59133.6171.324.8-31.5000109R94 Q95R94-P105 HydrophobicContact CG-CB 3.49Å; R94-P105 VanDerWaalsContact CG-CB 3.49Å; R94-P105 HydrophobicContact CG-CG 3.6Å; Q95-P105 WeakPolarHBondContact O-CB 3.37Å
106S76.1Confident77.5Confident70 Ų7091.8 Ų91.849%0.4952%0.518SS..  trans-65.3139.2173.1-176.20000109.2Q95 R104Q95-S106 WeakPolarHBondContact CB-O 3.43Å; Q95-S106 WeakPolarHBondContact CG-O 3.21Å; Q95-S106 PolarHBondContact N-O 3.36Å; R104-S106 PolarHBondContact O-N 3.43Å
107W84.7Confident78.2Confident75 Ų7596.2 Ų96.228%0.28452%0.523SS..EExtended strand (participates in β ladder)trans-112.1114.4178.3-73.793.9000107.8Y92 T93 R94 A135Y92-W107 HydrophobicContact CD1-CB 4.13Å; Y92-W107 VanDerWaalsContact O-CZ3 3.26Å; Y92-W107 WeakPolarHBondContact O-CZ3 3.33Å; T93-W107 VanDerWaalsContact C-CE3 3.5Å; T93-W107 WeakPolarHBondContact O-CA 3.3Å; R94-W107 HydrophobicContact CB-CD2 4.43Å; R94-W107 HydrophobicContact CB-CE3 4.1Å; R94-W107 HydrophobicContact CB-CH2 3.63Å; R94-W107 HydrophobicContact CB-CZ2 3.92Å; R94-W107 HydrophobicContact CB-CZ3 3.7Å; R94-W107 HydrophobicContact CG-CH2 4.17Å; R94-W107 HydrophobicContact CG-CZ2 3.97Å; W107-A135 HydrophobicContact CE3-CB 4.15Å; W107-A135 HydrophobicContact CH2-CB 3.95Å; W107-A135 HydrophobicContact CZ3-CB 3.63Å
108Q85.1Confident79.1Confident103 Ų10396 Ų9648%0.48151%0.512SS..EExtended strand (participates in β ladder)trans-110.2133178.8-69.1-172.4-7.200110.3Y92 T93 Q95Y92-Q108 WeakPolarHBondContact CA-O 3.28Å; T93-Q108 PolarHBondContact N-O 2.92Å; T93-Q108 PolarHBondContact O-N 2.98Å; T93-Q108 PolarHBondContact OG1-O 3.39Å; Q95-Q108 HydrophobicContact CG-CG 4.29Å
109P92Very high80.6Confident82 Ų8292 Ų9253%0.53249%0.485SS..EExtended strand (participates in β ladder)trans-68.1138.6177.329.8-33.7000109.8V90 V91 Y92V90-P109 HydrophobicContact CG1-CB 4.3Å; V91-P109 CarbonylContact O-C 3.59Å; V91-P109 WeakPolarHBondContact O-CA 3.41Å; Y92-P109 HydrophobicContact CD1-CB 4.24Å; Y92-P109 HydrophobicContact CE1-CB 3.88Å; Y92-P109 HydrophobicContact CE1-CG 4.24Å
110T92.7Very high82.2Confident22 Ų2290.1 Ų90.114%0.13547%0.466CS..EExtended strand (participates in β ladder)trans-150.9163.7172.6-158.40000109.4V90 V91 T93 M123V90-T110 WeakPolarHBondContact CA-O 3.23Å; V91-T110 HydrophobicContact CG2-CG2 4.11Å; V91-T110 PolarHBondContact N-O 2.94Å; V91-T110 PolarHBondContact O-N 2.9Å; T93-T110 HydrophobicContact CG2-CG2 3.6Å; T110-M123 HydrophobicContact CG2-CB 3.8Å; T110-M123 HydrophobicContact CG2-CG 3.59Å; T110-M123 HydrophobicContact CG2-SD 3.32Å; T110-M123 WeakPolarHBondContact CG2-SD 3.44Å
111I94.9Very high83.8Confident82 Ų8279.8 Ų79.842%0.42142%0.421SS..EExtended strand (participates in β ladder)trans-103.4136.9-177.7-60.1172.3000109D89 V90 Q113 M123 A124D89-I111 WeakPolarHBondContact O-CA 3.32Å; V90-I111 HydrophobicContact CG2-CG1 4.26Å; I111-Q113 PolarHBondContact O-N 3.45Å; I111-M123 CarbonylContact O-C 3.49Å; I111-M123 VanDerWaalsContact O-CA 3.23Å; I111-M123 WeakPolarHBondContact O-CA 3.42Å; I111-A124 HydrophobicContact CB-CB 4.22Å; I111-A124 PolarHBondContact O-N 2.77Å
112I96Very high85.5Confident2 Ų281 Ų811%0.0140%0.402CS..EExtended strand (participates in β ladder)trans-72.1121.1171.5-58.2-173.5000109.2L85 G88 D89 V91 Y121 M123L85-I112 HydrophobicContact CB-CD1 3.69Å; L85-I112 HydrophobicContact CD1-CD1 4.03Å; L85-I112 HydrophobicContact CD2-CD1 4.45Å; L85-I112 HydrophobicContact CG-CD1 4.26Å; G88-I112 PolarHBondContact N-O 3.32Å; D89-I112 HydrophobicContact CB-CD1 4.13Å; D89-I112 HydrophobicContact CB-CG1 4.38Å; D89-I112 PolarHBondContact O-N 3.24Å; V91-I112 HydrophobicContact CG1-CD1 3.84Å; V91-I112 HydrophobicContact CG1-CG1 4.16Å; V91-I112 HydrophobicContact CG2-CD1 4.16Å; V91-I112 HydrophobicContact CG2-CG1 3.71Å; I112-Y121 HydrophobicContact CD1-CD1 4.17Å; I112-Y121 HydrophobicContact CD1-CG 4.42Å; I112-Y121 HydrophobicContact CG2-CD1 3.88Å; I112-Y121 HydrophobicContact CG2-CG 4.46Å; I112-M123 HydrophobicContact CB-CE 4.32Å; I112-M123 HydrophobicContact CG1-CE 3.82Å; I112-M123 HydrophobicContact CG1-SD 4.27Å; I112-M123 HydrophobicContact CG2-CE 4.33Å
113Q96.1Very high87.3Confident113 Ų11374.2 Ų74.253%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-83.9-47.8174-172.1-175.62200111.4A87 I111 R122A87-Q113 WeakPolarHBondContact CB-O 3.25Å; I111-Q113 PolarHBondContact O-N 3.45Å; Q113-R122 WeakPolarHBondContact CB-O 3.45Å; Q113-R122 PolarHBondContact N-O 3.41Å
114S95.7Very high89Confident48 Ų4871.9 Ų71.934%0.33636%0.359SS..EExtended strand (participates in β ladder)trans-161.9160.2-178.861.50000112.8Y121 R122S114-Y121 WeakPolarHBondContact O-CA 3.18Å; S114-R122 PolarHBondContact N-O 3.01Å; S114-R122 PolarHBondContact O-N 3.26Å
115Q94.9Very high90.4Very high108 Ų10866 Ų6651%0.50534%0.343SS..EExtended strand (participates in β ladder)trans-89.4121.1171.9-169.617723.400110R117 E118 Y121Q115-R117 WeakPolarHBondContact CG-O 3.32Å; Q115-R117 PolarHBondContact NE2-O 3.09Å; Q115-E118 PolarHBondContact NE2-O 2.95Å; Q115-Y121 HydrophobicContact CB-CD1 4.01Å; Q115-Y121 HydrophobicContact CB-CE1 3.99Å; Q115-Y121 HydrophobicContact CG-CD1 4.02Å; Q115-Y121 HydrophobicContact CG-CE1 3.74Å
116V94.3Very high91.8Very high68 Ų6865.7 Ų65.741%0.41235%0.347SS..EExtended strand (participates in β ladder)trans-89.5-40.4-179.8-175.90000111.1T120 R122V116-T120 HydrophobicContact CB-CG2 4.25Å; V116-T120 PolarHBondContact N-O 3.13Å; V116-R122 HydrophobicContact CG2-CB 3.81Å
117R90.1Very high92.6Very high190 Ų19068.8 Ų68.872%0.71735%0.348SS*.EExtended strand (participates in β ladder)trans-145.1171.3173.1-58.4-173.9175.6-141.9-2.6108.7Q115 A119 T120Q115-R117 WeakPolarHBondContact CG-O 3.32Å; Q115-R117 PolarHBondContact NE2-O 3.09Å; R117-A119 PolarHBondContact O-N 2.87Å; R117-T120 PolarHBondContact N-O 3.19Å; R117-T120 PolarHBondContact O-N 3.18Å
118E86.2Confident93.1Very high82 Ų8268.7 Ų68.738%0.38336%0.356SS..THydrogen-bonded Turntrans-45-36.5-176.4-167.2-177.8169.100115.4R80 L82 Q115R80-E118 IonicContact CZ-OE1 3.8Å; R80-E118 IonicContact CZ-OE2 3.83Å; R80-E118 VanDerWaalsContact CZ-OE2 3.23Å; R80-E118 IonicContact NE-OE1 3.9Å; R80-E118 IonicContact NH1-OE1 3.98Å; R80-E118 PolarHBondContact NH1-OE1 2.99Å; R80-E118 IonicContact NH1-OE2 3.84Å; R80-E118 PolarHBondContact NH1-OE2 3.27Å; R80-E118 IonicContact NH2-OE1 3.3Å; R80-E118 PolarHBondContact NH2-OE1 3.4Å; R80-E118 IonicContact NH2-OE2 2.98Å; R80-E118 PolarHBondContact NH2-OE2 2.82Å; L82-E118 HydrophobicContact CD1-CG 3.85Å; Q115-E118 PolarHBondContact NE2-O 2.95Å
119A89.9Confident93.5Very high15 Ų1565.5 Ų65.512%0.12434%0.339CS..THydrogen-bonded Turntrans-123.420.6176.900000112.7L82 R117 N130 A131L82-A119 HydrophobicContact CD2-CB 3.46Å; L82-A119 VanDerWaalsContact CD2-CB 3.46Å; R117-A119 PolarHBondContact O-N 2.87Å; A119-N130 CarbonylContact O-C 3.6Å; A119-N130 VanDerWaalsContact O-CA 3.3Å; A119-N130 WeakPolarHBondContact O-CA 3.46Å; A119-N130 PolarHBondContact O-ND2 3.35Å; A119-A131 HydrophobicContact CB-CB 4.18Å; A119-A131 PolarHBondContact O-N 2.95Å
120T93.6Very high93.5Very high32 Ų3264.9 Ų64.920%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-131.7122.2-170.2-53.60000109.2V116 R117 V128 W129V116-T120 HydrophobicContact CB-CG2 4.25Å; V116-T120 PolarHBondContact N-O 3.13Å; R117-T120 PolarHBondContact N-O 3.19Å; R117-T120 PolarHBondContact O-N 3.18Å; T120-V128 HydrophobicContact CG2-CG1 3.26Å; T120-W129 WeakPolarHBondContact CA-O 3.49Å
121Y95.2Very high93.4Very high6 Ų664.2 Ų64.22%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-124.1143.4-172.1-61.1-91.1000109.9L85 I112 S114 Q115 M123 V128 W129 A131 L134L85-Y121 HydrophobicContact CB-CE1 3.87Å; L85-Y121 HydrophobicContact CB-CE2 4.43Å; L85-Y121 HydrophobicContact CD1-CD2 4.4Å; L85-Y121 HydrophobicContact CD1-CE2 4.02Å; I112-Y121 HydrophobicContact CD1-CD1 4.17Å; I112-Y121 HydrophobicContact CD1-CG 4.42Å; I112-Y121 HydrophobicContact CG2-CD1 3.88Å; I112-Y121 HydrophobicContact CG2-CG 4.46Å; S114-Y121 WeakPolarHBondContact O-CA 3.18Å; Q115-Y121 HydrophobicContact CB-CD1 4.01Å; Q115-Y121 HydrophobicContact CB-CE1 3.99Å; Q115-Y121 HydrophobicContact CG-CD1 4.02Å; Q115-Y121 HydrophobicContact CG-CE1 3.74Å; Y121-M123 HydrophobicContact CG-CE 4.49Å; Y121-V128 CarbonylContact O-C 3.18Å; Y121-V128 WeakPolarHBondContact O-CA 3.49Å; Y121-W129 PolarHBondContact N-O 3.16Å; Y121-W129 PolarHBondContact O-N 3.22Å; Y121-A131 HydrophobicContact CD2-CB 4.49Å; Y121-A131 HydrophobicContact CE2-CB 3.98Å; Y121-L134 HydrophobicContact CD2-CD1 3.77Å; Y121-L134 HydrophobicContact CG-CD1 4.23Å
122R96.3Very high93.1Very high97 Ų9764.6 Ų64.637%0.36634%0.338SS..EExtended strand (participates in β ladder)trans-96131.2170.2-177.5-178-64.8-94.15.3108.2Q113 S114 V116 G126 R127 V128Q113-R122 WeakPolarHBondContact CB-O 3.45Å; Q113-R122 PolarHBondContact N-O 3.41Å; S114-R122 PolarHBondContact N-O 3.01Å; S114-R122 PolarHBondContact O-N 3.26Å; V116-R122 HydrophobicContact CG2-CB 3.81Å; R122-G126 PolarHBondContact NH1-O 3.41Å; R122-R127 WeakPolarHBondContact CA-O 3.24Å; R122-V128 HydrophobicContact CB-CG2 4.47Å
123M94.5Very high92.9Very high0 Ų066.2 Ų66.20%035%0.347CS..EExtended strand (participates in β ladder)trans-92.6169.1178.6-49-68.296.500110.3V91 T93 T110 I111 I112 Y121 D125 G126 R127 W129 L134V91-M123 HydrophobicContact CG2-SD 3.85Å; T93-M123 HydrophobicContact CG2-CG 4.41Å; T93-M123 HydrophobicContact CG2-SD 4.2Å; T110-M123 HydrophobicContact CG2-CB 3.8Å; T110-M123 HydrophobicContact CG2-CG 3.59Å; T110-M123 HydrophobicContact CG2-SD 3.32Å; T110-M123 WeakPolarHBondContact CG2-SD 3.44Å; I111-M123 CarbonylContact O-C 3.49Å; I111-M123 VanDerWaalsContact O-CA 3.23Å; I111-M123 WeakPolarHBondContact O-CA 3.42Å; I112-M123 HydrophobicContact CB-CE 4.32Å; I112-M123 HydrophobicContact CG1-CE 3.82Å; I112-M123 HydrophobicContact CG1-SD 4.27Å; I112-M123 HydrophobicContact CG2-CE 4.33Å; Y121-M123 HydrophobicContact CG-CE 4.49Å; M123-D125 WeakPolarHBondContact CB-OD1 3.4Å; M123-D125 PolarHBondContact O-N 2.93Å; M123-G126 PolarHBondContact O-N 3.44Å; M123-R127 PolarHBondContact N-O 3.43Å; M123-W129 VanDerWaalsContact CG-CD1 3.43Å; M123-W129 HydrophobicContact CG-CG 4.43Å; M123-L134 HydrophobicContact CE-CD1 4.29Å; M123-L134 HydrophobicContact SD-CD2 4.16Å
124A93.8Very high92.6Very high67 Ų6761.7 Ų61.755%0.55433%0.326SS*.THydrogen-bonded Turntrans-61.1-26.4178.500000113.7I111 G126I111-A124 HydrophobicContact CB-CB 4.22Å; I111-A124 PolarHBondContact O-N 2.77Å; A124-G126 PolarHBondContact O-N 3.49Å
125D91.9Very high92.3Very high83 Ų8360.8 Ų60.844%0.44432%0.322SS..THydrogen-bonded Turntrans-76.80.7173.871.5-2.6000113.6M123 R127M123-D125 WeakPolarHBondContact CB-OD1 3.4Å; M123-D125 PolarHBondContact O-N 2.93Å; D125-R127 VanDerWaalsContact C-N 3.28Å; D125-R127 PolarHBondContact O-N 3.38Å; D125-R127 VanDerWaalsContact OD1-CB 3.22Å; D125-R127 WeakPolarHBondContact OD1-CB 3.39Å; D125-R127 WeakPolarHBondContact OD1-CG 3.45Å; D125-R127 PolarHBondContact OD1-N 2.96Å; D125-R127 VanDerWaalsContact OD2-CD 3.28Å; D125-R127 WeakPolarHBondContact OD2-CD 3.26Å; D125-R127 IonicContact OD2-NE 2.8Å; D125-R127 IonicContact OD2-NH1 3.58Å
126G93.8Very high91.8Very high34 Ų3462.3 Ų62.335%0.35132%0.323SS..SBendtrans82.9-9.2-178.300000115R122 M123 A124R122-G126 PolarHBondContact NH1-O 3.41Å; M123-G126 PolarHBondContact O-N 3.44Å; A124-G126 PolarHBondContact O-N 3.49Å
127R93.2Very high91Very high136 Ų13670 Ų7051%0.51335%0.345SS..  trans-71.4153.3177.6-62.1-178178.6162.9-4.6111R122 M123 D125R122-R127 WeakPolarHBondContact CA-O 3.24Å; M123-R127 PolarHBondContact N-O 3.43Å; D125-R127 VanDerWaalsContact C-N 3.28Å; D125-R127 PolarHBondContact O-N 3.38Å; D125-R127 VanDerWaalsContact OD1-CB 3.22Å; D125-R127 WeakPolarHBondContact OD1-CB 3.39Å; D125-R127 WeakPolarHBondContact OD1-CG 3.45Å; D125-R127 PolarHBondContact OD1-N 2.96Å; D125-R127 VanDerWaalsContact OD2-CD 3.28Å; D125-R127 WeakPolarHBondContact OD2-CD 3.26Å; D125-R127 IonicContact OD2-NE 2.8Å; D125-R127 IonicContact OD2-NH1 3.58Å
128V94.7Very high91Very high73 Ų7364.1 Ų64.144%0.44233%0.326SS..EExtended strand (participates in β ladder)trans-114.8126.1-178.1-179.50000109.8T120 Y121 R122T120-V128 HydrophobicContact CG2-CG1 3.26Å; Y121-V128 CarbonylContact O-C 3.18Å; Y121-V128 WeakPolarHBondContact O-CA 3.49Å; R122-V128 HydrophobicContact CB-CG2 4.47Å
129W93.1Very high91.3Very high35 Ų3563.1 Ų63.113%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-123.7145.1-176.6-68.589.2000111.7T93 R94 T120 Y121 M123 N133 L134T93-W129 HydrophobicContact CG2-CD2 4.02Å; T93-W129 HydrophobicContact CG2-CG 4.01Å; T93-W129 HydrophobicContact CG2-CZ2 4.46Å; R94-W129 WeakPolarHBondContact O-CH2 3.42Å; R94-W129 WeakPolarHBondContact O-CZ3 3.4Å; T120-W129 WeakPolarHBondContact CA-O 3.49Å; Y121-W129 PolarHBondContact N-O 3.16Å; Y121-W129 PolarHBondContact O-N 3.22Å; M123-W129 VanDerWaalsContact CG-CD1 3.43Å; M123-W129 HydrophobicContact CG-CG 4.43Å; W129-N133 HydrophobicContact CE3-CB 3.74Å; W129-N133 HydrophobicContact CZ3-CB 4.2Å; W129-L134 HydrophobicContact CB-CD2 3.86Å; W129-L134 HydrophobicContact CB-CG 4.4Å; W129-L134 HydrophobicContact CG-CD2 4.33Å
130N92.6Very high91.3Very high69 Ų6965.8 Ų65.837%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-77.7143.6165.4-171.1-79000109.8A119 S132 N133A119-N130 CarbonylContact O-C 3.6Å; A119-N130 VanDerWaalsContact O-CA 3.3Å; A119-N130 WeakPolarHBondContact O-CA 3.46Å; A119-N130 PolarHBondContact O-ND2 3.35Å; N130-S132 PolarHBondContact O-N 2.69Å; N130-S132 WeakPolarHBondContact OD1-CB 3.38Å; N130-S132 PolarHBondContact OD1-N 3.47Å; N130-S132 PolarHBondContact OD1-OG 3.35Å; N130-S132 VanDerWaalsContact OD1-OG 3.07Å; N130-N133 WeakPolarHBondContact O-CB 3.42Å; N130-N133 PolarHBondContact O-N 2.98Å
131A91.3Very high91.2Very high9 Ų967.8 Ų67.87%0.07434%0.342CS..G310 helixtrans-49.9-32.6176.500000113.4P83 A119 Y121 N133 L134P83-A131 HydrophobicContact CG-CB 3.89Å; A119-A131 HydrophobicContact CB-CB 4.18Å; A119-A131 PolarHBondContact O-N 2.95Å; Y121-A131 HydrophobicContact CD2-CB 4.49Å; Y121-A131 HydrophobicContact CE2-CB 3.98Å; A131-N133 PolarHBondContact O-N 3.07Å; A131-N133 VanDerWaalsContact O-N 3.15Å; A131-L134 PolarHBondContact O-N 3.1Å
132S89Confident91Very high89 Ų8971.6 Ų71.662%0.62236%0.362SS*.G310 helixtrans-63.9-15.6176.971.70000114.3N130N130-S132 PolarHBondContact O-N 2.69Å; N130-S132 WeakPolarHBondContact OD1-CB 3.38Å; N130-S132 PolarHBondContact OD1-N 3.47Å; N130-S132 PolarHBondContact OD1-OG 3.35Å; N130-S132 VanDerWaalsContact OD1-OG 3.07Å
133N90Very high90.6Very high36 Ų3669.9 Ų69.919%0.19336%0.362CS..G310 helixtrans-106.49.7177.9-63.5-40.7000112.1R94 W129 N130 A131R94-N133 HydrophobicContact CB-CB 4.24Å; R94-N133 PolarHBondContact N-O 3.42Å; R94-N133 PolarHBondContact NH1-OD1 3.23Å; W129-N133 HydrophobicContact CE3-CB 3.74Å; W129-N133 HydrophobicContact CZ3-CB 4.2Å; N130-N133 WeakPolarHBondContact O-CB 3.42Å; N130-N133 PolarHBondContact O-N 2.98Å; A131-N133 PolarHBondContact O-N 3.07Å; A131-N133 VanDerWaalsContact O-N 3.15Å
134L90.8Very high90.3Very high18 Ų1874.9 Ų74.99%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-111143178.3-56.8-179.2000109.8L85 V91 Y92 T93 Y121 M123 W129 A131L85-L134 HydrophobicContact CD1-CB 4.19Å; L85-L134 HydrophobicContact CD1-CD1 3.68Å; V91-L134 HydrophobicContact CB-CB 4.46Å; V91-L134 HydrophobicContact CG2-CD1 4.44Å; V91-L134 HydrophobicContact CG2-CD2 3.95Å; Y92-L134 CarbonylContact O-C 3.43Å; Y92-L134 WeakPolarHBondContact O-CA 3.21Å; T93-L134 HydrophobicContact CG2-CD2 3.64Å; Y121-L134 HydrophobicContact CD2-CD1 3.77Å; Y121-L134 HydrophobicContact CG-CD1 4.23Å; M123-L134 HydrophobicContact CE-CD1 4.29Å; M123-L134 HydrophobicContact SD-CD2 4.16Å; W129-L134 HydrophobicContact CB-CD2 3.86Å; W129-L134 HydrophobicContact CB-CG 4.4Å; W129-L134 HydrophobicContact CG-CD2 4.33Å; A131-L134 PolarHBondContact O-N 3.1Å
135A88.9Confident90.1Very high29 Ų2975.5 Ų75.524%0.2438%0.375CS..EExtended strand (participates in β ladder)trans-135.9140.7172.400000110.2Y92 W107Y92-A135 PolarHBondContact N-O 3Å; Y92-A135 PolarHBondContact O-N 3.13Å; W107-A135 HydrophobicContact CE3-CB 4.15Å; W107-A135 HydrophobicContact CH2-CB 3.95Å; W107-A135 HydrophobicContact CZ3-CB 3.63Å
136R84.6Confident89.9Confident140 Ų14074.9 Ų74.953%0.52837%0.369SS..  trans-88.4133.1160.8-72.3-178.9171.7167.5-0.3107.3H84 L85 D89 V91H84-R136 VanDerWaalsContact O-CZ 3.24Å; H84-R136 PolarHBondContact O-NH1 3.29Å; H84-R136 PolarHBondContact O-NH2 3.39Å; L85-R136 HydrophobicContact CD2-CG 4.1Å; D89-R136 IonicContact OD1-NH2 3.76Å; D89-R136 IonicContact OD2-CZ 3.65Å; D89-R136 IonicContact OD2-NE 3.05Å; D89-R136 IonicContact OD2-NH2 2.64Å; D89-R136 PolarHBondContact OD2-NH2 3.13Å; V91-R136 HydrophobicContact CG1-CG 4.45Å
137R76.9Confident89.6Confident231 Ų23178.6 Ų78.687%0.87237%0.371SS*.  trans-120.90170.8-69.9-171.4174.6-155.30.5108.7Y92Y92-R137 HydrophobicContact CD2-CB 3.9Å; Y92-R137 HydrophobicContact CD2-CG 3.91Å; Y92-R137 HydrophobicContact CE2-CB 3.67Å; Y92-R137 HydrophobicContact CE2-CG 4.13Å; Y92-R137 HydrophobicContact CG-CG 4.4Å

Retrieved 137 of 137 residues in 23.9 ms (Link to these results)