A0A087Y185_POEFO Loading...

Cysteine-rich DPF motif domain-containing protein 1

AlphaFold DB (A0A3B3VLE5), UniProt , Accession A0A087Y185, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 117 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
1M34.9Very low47.9Very low240 Ų240145.4 Ų145.4100%1.18279%0.786SS**  0119.90-69.6177.8-176.500106.8Q3M1-Q3 PolarHBondContact O-N 3.33Å
2E40.1Very low51.9Low183 Ų183140.5 Ų140.586%0.85577%0.765SS**  trans-24.7118.1179.1-13691.184.300114.4T4E2-T4 PolarHBondContact O-N 3.06Å
3Q37.3Very low55.4Low193 Ų193129.8 Ų129.890%0.90271%0.707SS**  trans-82.1103.9162.2-79177.5-100107.4M1 A5M1-Q3 PolarHBondContact O-N 3.33Å; Q3-A5 PolarHBondContact O-N 2.89Å
4T36.5Very low58.5Low128 Ų128124.7 Ų124.779%0.78569%0.686SS**  trans-57115.2178.3-12.50000109.1E2 T6E2-T4 PolarHBondContact O-N 3.06Å; T4-T6 PolarHBondContact O-N 3.36Å; T4-T6 VanDerWaalsContact O-N 3.1Å
5A39.1Very low61.1Low90 Ų90116.5 Ų116.574%0.74464%0.641SS**  trans-61.3112.1172.700000108.6Q3 E7Q3-A5 PolarHBondContact O-N 2.89Å; A5-E7 PolarHBondContact O-N 3.24Å; A5-E7 VanDerWaalsContact O-N 3.07Å
6T36.1Very low63.5Low132 Ų132116.8 Ų116.881%0.8164%0.636SS**  trans-64.3106.3169.443.50000108.4T4 T8T4-T6 PolarHBondContact O-N 3.36Å; T4-T6 VanDerWaalsContact O-N 3.1Å; T6-T8 PolarHBondContact O-N 3.33Å
7E43.8Very low65.5Low183 Ų183113.1 Ų113.186%0.85562%0.615SS**  trans-64.794.7172.6-65.3-175.9139.100109.3A5A5-E7 PolarHBondContact O-N 3.24Å; A5-E7 VanDerWaalsContact O-N 3.07Å
8T49.7Very low67.3Low114 Ų114111.1 Ų111.170%0.69961%0.61SS**  trans-58.4144.1161.120.60000109.5T6 Q10T6-T8 PolarHBondContact O-N 3.33Å; T8-Q10 PolarHBondContact O-N 3.46Å
9P54.1Low68.9Low107 Ų107107.9 Ų107.970%0.69561%0.605SS**  trans-52.3117.3174.421-31.5000108.7N11P9-N11 PolarHBondContact O-N 3.03Å
10Q66.5Low70.3Confident151 Ų151106.7 Ų106.771%0.70660%0.597SS**  trans-69.1104.4-179.3-68.4-175.3-5.300107.4T8 T12T8-Q10 PolarHBondContact O-N 3.46Å; Q10-T12 PolarHBondContact O-N 2.67Å
11N88.9Confident71.6Confident78 Ų78105.1 Ų105.142%0.41759%0.593SS.*EExtended strand (participates in β ladder)trans-68.2133.6175.6-60.3-46.8000109P9 S23 Y24P9-N11 PolarHBondContact O-N 3.03Å; N11-S23 CarbonylContact O-C 3.58Å; N11-S23 WeakPolarHBondContact O-CA 3.45Å; N11-Y24 HydrophobicContact CB-CD1 3.8Å; N11-Y24 HydrophobicContact CB-CD2 4.24Å; N11-Y24 HydrophobicContact CB-CE1 3.25Å; N11-Y24 HydrophobicContact CB-CE2 3.74Å; N11-Y24 HydrophobicContact CB-CG 4.27Å; N11-Y24 WeakPolarHBondContact CB-OH 3.16Å; N11-Y24 VanDerWaalsContact O-CD1 3.32Å; N11-Y24 WeakPolarHBondContact O-CD1 3.38Å; N11-Y24 PolarHBondContact O-N 3.27Å
12T96.1Very high74.5Confident87 Ų8796.3 Ų96.353%0.53455%0.553SS.*EExtended strand (participates in β ladder)trans-106.5128.3-176.2-59.40000110.5Q10 S21Q10-T12 PolarHBondContact O-N 2.67Å; T12-S21 WeakPolarHBondContact CG2-OG 3.37Å
13F97.3Very high77.1Confident1 Ų189.8 Ų89.80%0.00453%0.528CS..EExtended strand (participates in β ladder)trans-90.6134.5168164.3-99.6000108.3C15 S21 T22 Y24 F44 L60 C70 C72F13-C15 HydrophobicContact CE1-CB 4.24Å; F13-C15 HydrophobicContact CZ-CB 4.18Å; F13-S21 VanDerWaalsContact O-CA 3.25Å; F13-S21 WeakPolarHBondContact O-CA 3.33Å; F13-T22 HydrophobicContact CD1-CG2 4.42Å; F13-T22 PolarHBondContact N-O 3.24Å; F13-T22 PolarHBondContact O-N 3.19Å; F13-Y24 HydrophobicContact CB-CD1 3.95Å; F13-F44 HydrophobicContact CB-CB 4.24Å; F13-F44 HydrophobicContact CB-CD1 4.35Å; F13-F44 HydrophobicContact CB-CG 4.34Å; F13-F44 HydrophobicContact CD2-CB 3.74Å; F13-F44 HydrophobicContact CD2-CD1 4.03Å; F13-F44 AromaticContact CD2-CD2 3.46Å; F13-F44 HydrophobicContact CD2-CD2 3.46Å; F13-F44 VanDerWaalsContact CD2-CD2 3.46Å; F13-F44 HydrophobicContact CD2-CE2 4.03Å; F13-F44 AromaticContact CD2-CG 3.46Å; F13-F44 HydrophobicContact CD2-CG 3.46Å; F13-F44 VanDerWaalsContact CD2-CG 3.46Å; F13-F44 HydrophobicContact CE2-CB 4.44Å; F13-F44 AromaticContact CE2-CD2 3.73Å; F13-F44 HydrophobicContact CE2-CD2 3.73Å; F13-F44 HydrophobicContact CE2-CE2 4.24Å; F13-F44 HydrophobicContact CE2-CG 4.17Å; F13-F44 HydrophobicContact CG-CB 4.14Å; F13-F44 HydrophobicContact CG-CG 4.22Å; F13-L60 HydrophobicContact CB-CD1 4.08Å; F13-L60 HydrophobicContact CD1-CB 3.91Å; F13-L60 HydrophobicContact CD1-CD1 4.32Å; F13-L60 HydrophobicContact CE1-CB 4.16Å; F13-L60 HydrophobicContact CG-CB 4.26Å; F13-L60 HydrophobicContact CG-CD1 4.37Å; F13-C70 HydrophobicContact CE2-CB 4.37Å; F13-C72 HydrophobicContact CE1-CB 3.98Å; F13-C72 HydrophobicContact CZ-CB 3.99Å
14S98.2Very high79.8Confident59 Ų5982.9 Ų82.941%0.41349%0.494SS..EExtended strand (participates in β ladder)trans-132122.6174.6-171.90000111.1Q16 L20 C70S14-Q16 PolarHBondContact O-N 3.05Å; S14-L20 CarbonylContact C-O 3.57Å; S14-L20 WeakPolarHBondContact CA-O 3.32Å; S14-C70 WeakPolarHBondContact O-CB 3.02Å
15C98.6Very high82.5Confident1 Ų180.6 Ų80.61%0.00748%0.48CS..  trans-77.1118.8172.4-177.90000109.9F13 L17 G19 L20 C72F13-C15 HydrophobicContact CE1-CB 4.24Å; F13-C15 HydrophobicContact CZ-CB 4.18Å; C15-L17 PolarHBondContact O-N 2.84Å; C15-G19 VanDerWaalsContact O-CA 3.25Å; C15-G19 WeakPolarHBondContact O-CA 3.06Å; C15-G19 PolarHBondContact O-N 2.79Å; C15-L20 HydrophobicContact CB-CB 4.02Å; C15-L20 PolarHBondContact N-O 2.99Å; C15-C72 HydrophobicContact CB-CB 3.99Å; C15-C72 PolarHBondContact SG-N 2.89Å
16Q98.5Very high85.1Confident121 Ų12179.5 Ų79.557%0.56546%0.457SS*.THydrogen-bonded Turntrans-76.3-3.4-178.1-64.6178.1-103.600114S14 M69 C70S14-Q16 PolarHBondContact O-N 3.05Å; Q16-M69 HydrophobicContact CB-CG 3.49Å; Q16-M69 VanDerWaalsContact CB-CG 3.49Å; Q16-M69 HydrophobicContact CB-SD 3.83Å; Q16-M69 HydrophobicContact CG-CG 4.03Å; Q16-C70 HydrophobicContact CG-CB 4.48Å; Q16-C70 PolarHBondContact N-O 3.06Å
17L97.8Very high87.9Confident54 Ų5477.1 Ų77.128%0.28343%0.433SS..THydrogen-bonded Turntrans-100.6-47.1176.4-69.9-176.2000113.7C15 M69 V71 C77 C86 Q88C15-L17 PolarHBondContact O-N 2.84Å; L17-M69 HydrophobicContact CD2-SD 3.84Å; L17-M69 HydrophobicContact CG-SD 4.08Å; L17-V71 HydrophobicContact CD1-CG1 3.84Å; L17-V71 HydrophobicContact CG-CG1 3.95Å; L17-C77 HydrophobicContact CB-CB 4.36Å; L17-C77 HydrophobicContact CD1-CB 4.24Å; L17-C77 WeakPolarHBondContact CD1-O 3.47Å; L17-C86 HydrophobicContact CD1-CB 4.04Å; L17-Q88 HydrophobicContact CD2-CG 4.11Å
18C98.1Very high90.4Very high77 Ų7768.7 Ų68.752%0.5240%0.395SS..THydrogen-bonded Turntrans-107.5-4.1-178.467.60000114.1L20 C77C18-L20 PolarHBondContact O-N 3.35Å; C18-L20 VanDerWaalsContact SG-CB 3.59Å; C18-C77 VanDerWaalsContact CB-SG 3.59Å
19G97.6Very high92.5Very high51 Ų5167.4 Ų67.453%0.52638%0.381SS..  trans75.53-178.500000115C15 S21C15-G19 VanDerWaalsContact O-CA 3.25Å; C15-G19 WeakPolarHBondContact O-CA 3.06Å; C15-G19 PolarHBondContact O-N 2.79Å; G19-S21 PolarHBondContact O-N 3.49Å; G19-S21 VanDerWaalsContact O-N 3.1Å
20L97.4Very high94.4Very high84 Ų8469 Ų6944%0.4438%0.377SS..  trans-52.3120.5175.6174.966.6000109.8S14 C15 C18 C72S14-L20 CarbonylContact C-O 3.57Å; S14-L20 WeakPolarHBondContact CA-O 3.32Å; C15-L20 HydrophobicContact CB-CB 4.02Å; C15-L20 PolarHBondContact N-O 2.99Å; C18-L20 PolarHBondContact O-N 3.35Å; C18-L20 VanDerWaalsContact SG-CB 3.59Å; L20-C72 HydrophobicContact CD2-CB 3.84Å
21S97.3Very high95.4Very high73 Ų7362 Ų6251%0.5135%0.345SS..EExtended strand (participates in β ladder)trans-127.6126.1-179.2-168.20000109.9T12 F13 G19T12-S21 WeakPolarHBondContact CG2-OG 3.37Å; F13-S21 VanDerWaalsContact O-CA 3.25Å; F13-S21 WeakPolarHBondContact O-CA 3.33Å; G19-S21 PolarHBondContact O-N 3.49Å; G19-S21 VanDerWaalsContact O-N 3.1Å
22T95.1Very high95.2Very high55 Ų5561.9 Ų61.934%0.33735%0.348SS..EExtended strand (participates in β ladder)trans-156.8158.6179.3-169.90000111F13 L60F13-T22 HydrophobicContact CD1-CG2 4.42Å; F13-T22 PolarHBondContact N-O 3.24Å; F13-T22 PolarHBondContact O-N 3.19Å; T22-L60 HydrophobicContact CG2-CD1 3.6Å; T22-L60 HydrophobicContact CG2-CD2 3.72Å; T22-L60 HydrophobicContact CG2-CG 4.23Å
23S95.2Very high94.2Very high47 Ų4763.6 Ų63.633%0.32935%0.354SS..EExtended strand (participates in β ladder)trans-71.3144.7177.858.40000111.5N11 T46N11-S23 CarbonylContact O-C 3.58Å; N11-S23 WeakPolarHBondContact O-CA 3.45Å; S23-T46 PolarHBondContact O-OG1 3.38Å
24Y95Very high93.2Very high48 Ų4864.8 Ų64.819%0.18836%0.362CS..EExtended strand (participates in β ladder)trans-123.1151.1172.576.7-94000110.3N11 F13 Y26 F44 V45N11-Y24 HydrophobicContact CB-CD1 3.8Å; N11-Y24 HydrophobicContact CB-CD2 4.24Å; N11-Y24 HydrophobicContact CB-CE1 3.25Å; N11-Y24 HydrophobicContact CB-CE2 3.74Å; N11-Y24 HydrophobicContact CB-CG 4.27Å; N11-Y24 WeakPolarHBondContact CB-OH 3.16Å; N11-Y24 VanDerWaalsContact O-CD1 3.32Å; N11-Y24 WeakPolarHBondContact O-CD1 3.38Å; N11-Y24 PolarHBondContact O-N 3.27Å; F13-Y24 HydrophobicContact CB-CD1 3.95Å; Y24-Y26 WeakPolarHBondContact CD2-O 3.19Å; Y24-F44 AromaticContact CD1-CD1 3.88Å; Y24-F44 HydrophobicContact CD1-CD1 3.88Å; Y24-F44 HydrophobicContact CD2-CD1 4.24Å; Y24-F44 AromaticContact CE1-CD1 3.8Å; Y24-F44 HydrophobicContact CE1-CD1 3.8Å; Y24-F44 HydrophobicContact CE1-CE1 4.07Å; Y24-F44 HydrophobicContact CE2-CD1 4.21Å; Y24-F44 HydrophobicContact CG-CD1 4.08Å; Y24-F44 AromaticContact CZ-CD1 3.98Å; Y24-V45 WeakPolarHBondContact CB-O 3.21Å
25T92.9Very high92Very high80 Ų8072.1 Ų72.149%0.49138%0.381SS..SBendtrans-104.2-18.8-178.155.70000112.9V45 T46 K47T25-V45 PolarHBondContact N-O 3.32Å; T25-V45 PolarHBondContact OG1-O 3.4Å; T25-T46 WeakPolarHBondContact OG1-CA 3.47Å; T25-K47 HydrophobicContact CG2-CG 4.33Å
26Y93.4Very high91.2Very high66 Ų6676.6 Ų76.626%0.25942%0.418SS..EExtended strand (participates in β ladder)trans-154.1147.9178.6174-98.1000111.8Y24 K30 P31 P32 V45Y24-Y26 WeakPolarHBondContact CD2-O 3.19Å; Y26-K30 WeakPolarHBondContact CE1-O 3.44Å; Y26-K30 PolarHBondContact OH-N 3.43Å; Y26-K30 PolarHBondContact OH-O 2.94Å; Y26-K30 VanDerWaalsContact OH-O 3.07Å; Y26-P31 HydrophobicContact CD1-CB 4.36Å; Y26-P31 HydrophobicContact CD1-CG 4.47Å; Y26-P31 HydrophobicContact CE1-CG 4.45Å; Y26-P32 HydrophobicContact CD2-CG 4.39Å; Y26-P32 HydrophobicContact CG-CG 4.46Å; Y26-V45 HydrophobicContact CD1-CG2 3.74Å; Y26-V45 HydrophobicContact CG-CG2 4.21Å; Y26-V45 PolarHBondContact N-O 2.99Å; Y26-V45 VanDerWaalsContact N-O 3.15Å; Y26-V45 PolarHBondContact O-N 3Å
27Y95.6Very high90.6Very high83 Ų8375.1 Ų75.133%0.32541%0.413SS..EExtended strand (participates in β ladder)trans-124.4129.1167.8175.7-98.6000109.5E42 C43 F44Y27-E42 HydrophobicContact CE1-CB 3.93Å; Y27-E42 HydrophobicContact CE1-CG 4.43Å; Y27-E42 WeakPolarHBondContact CE1-OE2 3.48Å; Y27-E42 HydrophobicContact CE2-CB 3.94Å; Y27-E42 VanDerWaalsContact CZ-CB 3.46Å; Y27-E42 VanDerWaalsContact OH-CB 3.25Å; Y27-E42 WeakPolarHBondContact OH-CB 3.49Å; Y27-E42 PolarHBondContact OH-OE2 3.31Å; Y27-C43 VanDerWaalsContact CA-O 3.3Å; Y27-C43 WeakPolarHBondContact CA-O 3.21Å; Y27-F44 AromaticContact CD2-CD1 3.67Å; Y27-F44 HydrophobicContact CD2-CD1 3.67Å; Y27-F44 AromaticContact CD2-CD2 3.92Å; Y27-F44 HydrophobicContact CD2-CD2 3.92Å; Y27-F44 AromaticContact CD2-CE1 3.58Å; Y27-F44 HydrophobicContact CD2-CE1 3.58Å; Y27-F44 AromaticContact CD2-CE2 3.84Å; Y27-F44 HydrophobicContact CD2-CE2 3.84Å; Y27-F44 AromaticContact CD2-CG 3.83Å; Y27-F44 HydrophobicContact CD2-CG 3.83Å; Y27-F44 AromaticContact CD2-CZ 3.67Å; Y27-F44 HydrophobicContact CD2-CZ 3.67Å; Y27-F44 HydrophobicContact CE2-CD1 4.46Å; Y27-F44 HydrophobicContact CE2-CD2 4.03Å; Y27-F44 HydrophobicContact CE2-CE1 4.12Å; Y27-F44 AromaticContact CE2-CE2 3.65Å; Y27-F44 HydrophobicContact CE2-CE2 3.65Å; Y27-F44 HydrophobicContact CE2-CG 4.42Å; Y27-F44 AromaticContact CE2-CZ 3.7Å; Y27-F44 HydrophobicContact CE2-CZ 3.7Å; Y27-F44 HydrophobicContact CG-CD1 4.39Å; Y27-F44 HydrophobicContact CG-CE1 4.23Å
28G94.9Very high90.4Very high5 Ų576.6 Ų76.65%0.05242%0.424CS..EExtended strand (participates in β ladder)trans143.6-172.1175.800000113.3C43G28-C43 PolarHBondContact N-O 3.49Å; G28-C43 VanDerWaalsContact N-O 3.12Å; G28-C43 PolarHBondContact O-N 3.11Å
29Q94.6Very high90.2Very high87 Ų8774.3 Ų74.341%0.40741%0.406SS..SBendtrans-87.6-18.5-177.5-77.4-176.8-26.700114.5P31 V38 L39 L40 E41 E42Q29-P31 WeakPolarHBondContact O-CD 3.13Å; Q29-V38 HydrophobicContact CB-CG1 4.45Å; Q29-L39 WeakPolarHBondContact CG-O 3.39Å; Q29-L39 PolarHBondContact O-N 3.01Å; Q29-L40 PolarHBondContact NE2-O 2.94Å; Q29-E41 WeakPolarHBondContact CG-O 3.48Å; Q29-E42 HydrophobicContact CG-CG 4.15Å
30K92.6Very high90Very high140 Ų14078.2 Ų78.261%0.60941%0.414SS*.SBendtrans-122.980.5-172.4-64.5-177-177.4176.30110.7Y26 V38Y26-K30 WeakPolarHBondContact CE1-O 3.44Å; Y26-K30 PolarHBondContact OH-N 3.43Å; Y26-K30 PolarHBondContact OH-O 2.94Å; Y26-K30 VanDerWaalsContact OH-O 3.07Å; K30-V38 HydrophobicContact CG-CG1 4.25Å; K30-V38 HydrophobicContact CG-CG2 4.29Å
31P88.6Confident89.9Confident6 Ų675.2 Ų75.24%0.03940%0.398CS..  trans-53.8133.4177.9-25.434.6000111.4Y26 Q29 T34 L39 V45 F57Y26-P31 HydrophobicContact CD1-CB 4.36Å; Y26-P31 HydrophobicContact CD1-CG 4.47Å; Y26-P31 HydrophobicContact CE1-CG 4.45Å; Q29-P31 WeakPolarHBondContact O-CD 3.13Å; P31-T34 HydrophobicContact CB-CG2 4.09Å; P31-T34 PolarHBondContact O-OG1 3.47Å; P31-L39 HydrophobicContact CG-CD1 3.85Å; P31-L39 HydrophobicContact CG-CG 4.2Å; P31-V45 HydrophobicContact CB-CG2 4.4Å; P31-V45 HydrophobicContact CG-CG2 4.48Å; P31-F57 HydrophobicContact CB-CD1 4.05Å; P31-F57 HydrophobicContact CB-CD2 4.43Å; P31-F57 HydrophobicContact CB-CE1 4.18Å; P31-F57 HydrophobicContact CB-CG 4.19Å; P31-F57 HydrophobicContact CB-CZ 4.41Å; P31-F57 HydrophobicContact CG-CD1 4.37Å; P31-F57 HydrophobicContact CG-CD2 4.16Å; P31-F57 HydrophobicContact CG-CE1 4.12Å; P31-F57 HydrophobicContact CG-CE2 3.89Å; P31-F57 HydrophobicContact CG-CG 4.4Å; P31-F57 HydrophobicContact CG-CZ 3.87Å
32P83.7Confident89.8Confident74 Ų7476.6 Ų76.648%0.48140%0.396SS..THydrogen-bonded Turntrans-62.5154.9-179.126.8-34.5000111Y26 T34Y26-P32 HydrophobicContact CD2-CG 4.39Å; Y26-P32 HydrophobicContact CG-CG 4.46Å; P32-T34 PolarHBondContact O-N 3.28Å
33N76.9Confident89.9Confident123 Ų12374.1 Ų74.166%0.65838%0.381SS*.THydrogen-bonded Turntrans62.417.7178-49.8-43.9000115.4
34T75.8Confident90Very high26 Ų2673 Ų7316%0.1637%0.371CS..  trans-101.3120.5171.764.90000109.1P31 P32 A36 I37 F57P31-T34 HydrophobicContact CB-CG2 4.09Å; P31-T34 PolarHBondContact O-OG1 3.47Å; P32-T34 PolarHBondContact O-N 3.28Å; T34-A36 PolarHBondContact O-N 3.41Å; T34-A36 VanDerWaalsContact O-N 3.07Å; T34-I37 HydrophobicContact CG2-CD1 4.47Å; T34-F57 HydrophobicContact CG2-CD1 3.57Å; T34-F57 HydrophobicContact CG2-CE1 3.52Å
35R73.4Confident90Very high214 Ų21470.8 Ų70.881%0.80836%0.362SS*.SBendtrans-63.8-17.7-168.7-72.3178.6-114.7-178.8-1.4114.7E55R35-E55 IonicContact CZ-OE2 2.8Å; R35-E55 IonicContact NE-OE2 3.28Å; R35-E55 PolarHBondContact NE-OE2 3Å; R35-E55 IonicContact NH2-OE1 2.74Å; R35-E55 IonicContact NH2-OE2 2.91Å; R35-E55 PolarHBondContact NH2-OE2 3.08Å
36A80.3Confident90Very high95 Ų9568 Ų6879%0.78535%0.345SS*.SBendtrans-164.915.917800000115.4T34T34-A36 PolarHBondContact O-N 3.41Å; T34-A36 VanDerWaalsContact O-N 3.07Å
37I87Confident89.9Confident90 Ų9071 Ų7146%0.46236%0.359SS..  trans-90.2129-172.5-60.3172.1000110.5T34 L39 F57T34-I37 HydrophobicContact CG2-CD1 4.47Å; I37-L39 HydrophobicContact CG2-CD2 4.4Å; I37-F57 HydrophobicContact CD1-CE1 4.05Å; I37-F57 HydrophobicContact CG2-CE1 4.31Å; I37-F57 HydrophobicContact CG2-CZ 4.01Å
38V92.4Very high89.7Confident85 Ų8568.9 Ų68.952%0.51535%0.354SS..  trans-125.1124.1170.5-174.60000108.4Q29 K30Q29-V38 HydrophobicContact CB-CG1 4.45Å; K30-V38 HydrophobicContact CG-CG1 4.25Å; K30-V38 HydrophobicContact CG-CG2 4.29Å
39L93.7Very high89.3Confident28 Ų2873.1 Ų73.115%0.14738%0.38CS..  trans-77.8146.2175.8-56.4177.7000109.9Q29 P31 I37 E41 C43 V45 F57 V59Q29-L39 WeakPolarHBondContact CG-O 3.39Å; Q29-L39 PolarHBondContact O-N 3.01Å; P31-L39 HydrophobicContact CG-CD1 3.85Å; P31-L39 HydrophobicContact CG-CG 4.2Å; I37-L39 HydrophobicContact CG2-CD2 4.4Å; L39-E41 WeakPolarHBondContact CB-O 3.38Å; L39-E41 PolarHBondContact O-N 3.03Å; L39-C43 HydrophobicContact CD1-CB 3.65Å; L39-V45 HydrophobicContact CD1-CG1 4.12Å; L39-F57 HydrophobicContact CD1-CE2 4.33Å; L39-F57 HydrophobicContact CD2-CE2 4.06Å; L39-F57 HydrophobicContact CD2-CZ 4.08Å; L39-V59 HydrophobicContact CD1-CG2 4.43Å
40L94.4Very high89Confident133 Ų13377.5 Ų77.570%0.69640%0.398SS*.SBendtrans-73.3-12.2179.4-60.9177.8000112.8Q29 F80Q29-L40 PolarHBondContact NE2-O 2.94Å; L40-F80 HydrophobicContact CB-CE2 4.46Å; L40-F80 HydrophobicContact CB-CZ 3.89Å; L40-F80 HydrophobicContact CD1-CE1 4.18Å; L40-F80 HydrophobicContact CD1-CZ 3.84Å; L40-F80 HydrophobicContact CG-CZ 4.47Å
41E94.7Very high88.7Confident21 Ų2172 Ų7210%0.09838%0.377CS..SBendtrans-143.4159.9179.765.7-179.3171.500110.7Q29 L39 C43 S62 F80 R84Q29-E41 WeakPolarHBondContact CG-O 3.48Å; L39-E41 WeakPolarHBondContact CB-O 3.38Å; L39-E41 PolarHBondContact O-N 3.03Å; E41-C43 VanDerWaalsContact CG-SG 3.51Å; E41-C43 PolarHBondContact O-N 3.25Å; E41-S62 PolarHBondContact OE1-OG 3.5Å; E41-S62 PolarHBondContact OE2-OG 3.07Å; E41-F80 HydrophobicContact CG-CE2 4.1Å; E41-F80 WeakPolarHBondContact OE1-CD2 3.43Å; E41-R84 IonicContact OE1-CZ 3.44Å; E41-R84 VanDerWaalsContact OE1-CZ 3.28Å; E41-R84 IonicContact OE1-NE 3.92Å; E41-R84 PolarHBondContact OE1-NE 3.11Å; E41-R84 IonicContact OE1-NH2 2.82Å; E41-R84 PolarHBondContact OE1-NH2 2.72Å; E41-R84 WeakPolarHBondContact OE2-CB 3.32Å; E41-R84 PolarHBondContact OE2-N 3.33Å; E41-R84 IonicContact OE2-NE 3.18Å
42E95.9Very high88.4Confident103 Ų10377.9 Ų77.948%0.48142%0.416SS..  trans-70.7116.5170.9-62.3-172.9137.500109.6Y27 Q29 S62Y27-E42 HydrophobicContact CE1-CB 3.93Å; Y27-E42 HydrophobicContact CE1-CG 4.43Å; Y27-E42 WeakPolarHBondContact CE1-OE2 3.48Å; Y27-E42 HydrophobicContact CE2-CB 3.94Å; Y27-E42 VanDerWaalsContact CZ-CB 3.46Å; Y27-E42 VanDerWaalsContact OH-CB 3.25Å; Y27-E42 WeakPolarHBondContact OH-CB 3.49Å; Y27-E42 PolarHBondContact OH-OE2 3.31Å; Q29-E42 HydrophobicContact CG-CG 4.15Å; E42-S62 WeakPolarHBondContact O-CB 3.47Å
43C97.1Very high88.3Confident3 Ų377.6 Ų77.62%0.0241%0.41CS..EExtended strand (participates in β ladder)trans-115.2146.9-176.6-75.30000111.4Y27 G28 L39 E41 V45 V59 G61Y27-C43 VanDerWaalsContact CA-O 3.3Å; Y27-C43 WeakPolarHBondContact CA-O 3.21Å; G28-C43 PolarHBondContact N-O 3.49Å; G28-C43 VanDerWaalsContact N-O 3.12Å; G28-C43 PolarHBondContact O-N 3.11Å; L39-C43 HydrophobicContact CD1-CB 3.65Å; E41-C43 VanDerWaalsContact CG-SG 3.51Å; E41-C43 PolarHBondContact O-N 3.25Å; C43-V45 HydrophobicContact CB-CG1 3.84Å; C43-V59 HydrophobicContact CB-CG1 3.94Å; C43-G61 WeakPolarHBondContact CA-O 3.42Å
44F97.3Very high88.2Confident24 Ų2480.3 Ų80.311%0.10542%0.416CS..EExtended strand (participates in β ladder)trans-77.2120.4158.8-60.3-88.4000108.2F13 Y24 Y27 L60 G61F13-F44 HydrophobicContact CB-CB 4.24Å; F13-F44 HydrophobicContact CB-CD1 4.35Å; F13-F44 HydrophobicContact CB-CG 4.34Å; F13-F44 HydrophobicContact CD2-CB 3.74Å; F13-F44 HydrophobicContact CD2-CD1 4.03Å; F13-F44 AromaticContact CD2-CD2 3.46Å; F13-F44 HydrophobicContact CD2-CD2 3.46Å; F13-F44 VanDerWaalsContact CD2-CD2 3.46Å; F13-F44 HydrophobicContact CD2-CE2 4.03Å; F13-F44 AromaticContact CD2-CG 3.46Å; F13-F44 HydrophobicContact CD2-CG 3.46Å; F13-F44 VanDerWaalsContact CD2-CG 3.46Å; F13-F44 HydrophobicContact CE2-CB 4.44Å; F13-F44 AromaticContact CE2-CD2 3.73Å; F13-F44 HydrophobicContact CE2-CD2 3.73Å; F13-F44 HydrophobicContact CE2-CE2 4.24Å; F13-F44 HydrophobicContact CE2-CG 4.17Å; F13-F44 HydrophobicContact CG-CB 4.14Å; F13-F44 HydrophobicContact CG-CG 4.22Å; Y24-F44 AromaticContact CD1-CD1 3.88Å; Y24-F44 HydrophobicContact CD1-CD1 3.88Å; Y24-F44 HydrophobicContact CD2-CD1 4.24Å; Y24-F44 AromaticContact CE1-CD1 3.8Å; Y24-F44 HydrophobicContact CE1-CD1 3.8Å; Y24-F44 HydrophobicContact CE1-CE1 4.07Å; Y24-F44 HydrophobicContact CE2-CD1 4.21Å; Y24-F44 HydrophobicContact CG-CD1 4.08Å; Y24-F44 AromaticContact CZ-CD1 3.98Å; Y27-F44 AromaticContact CD2-CD1 3.67Å; Y27-F44 HydrophobicContact CD2-CD1 3.67Å; Y27-F44 AromaticContact CD2-CD2 3.92Å; Y27-F44 HydrophobicContact CD2-CD2 3.92Å; Y27-F44 AromaticContact CD2-CE1 3.58Å; Y27-F44 HydrophobicContact CD2-CE1 3.58Å; Y27-F44 AromaticContact CD2-CE2 3.84Å; Y27-F44 HydrophobicContact CD2-CE2 3.84Å; Y27-F44 AromaticContact CD2-CG 3.83Å; Y27-F44 HydrophobicContact CD2-CG 3.83Å; Y27-F44 AromaticContact CD2-CZ 3.67Å; Y27-F44 HydrophobicContact CD2-CZ 3.67Å; Y27-F44 HydrophobicContact CE2-CD1 4.46Å; Y27-F44 HydrophobicContact CE2-CD2 4.03Å; Y27-F44 HydrophobicContact CE2-CE1 4.12Å; Y27-F44 AromaticContact CE2-CE2 3.65Å; Y27-F44 HydrophobicContact CE2-CE2 3.65Å; Y27-F44 HydrophobicContact CE2-CG 4.42Å; Y27-F44 AromaticContact CE2-CZ 3.7Å; Y27-F44 HydrophobicContact CE2-CZ 3.7Å; Y27-F44 HydrophobicContact CG-CD1 4.39Å; Y27-F44 HydrophobicContact CG-CE1 4.23Å; F44-L60 HydrophobicContact CB-CB 4.35Å; F44-L60 WeakPolarHBondContact O-CB 3.38Å; F44-L60 PolarHBondContact O-N 3.44Å; F44-G61 PolarHBondContact N-O 3.36Å
45V95Very high88.4Confident1 Ų182.8 Ų82.81%0.00643%0.425CS..EExtended strand (participates in β ladder)trans-127.3148.3-179.7-50.60000111.2Y24 T25 Y26 P31 L39 C43 F57 L58 V59Y24-V45 WeakPolarHBondContact CB-O 3.21Å; T25-V45 PolarHBondContact N-O 3.32Å; T25-V45 PolarHBondContact OG1-O 3.4Å; Y26-V45 HydrophobicContact CD1-CG2 3.74Å; Y26-V45 HydrophobicContact CG-CG2 4.21Å; Y26-V45 PolarHBondContact N-O 2.99Å; Y26-V45 VanDerWaalsContact N-O 3.15Å; Y26-V45 PolarHBondContact O-N 3Å; P31-V45 HydrophobicContact CB-CG2 4.4Å; P31-V45 HydrophobicContact CG-CG2 4.48Å; L39-V45 HydrophobicContact CD1-CG1 4.12Å; C43-V45 HydrophobicContact CB-CG1 3.84Å; V45-F57 HydrophobicContact CB-CD2 4.06Å; V45-F57 HydrophobicContact CG1-CD2 3.95Å; V45-F57 HydrophobicContact CG1-CE2 4.36Å; V45-L58 VanDerWaalsContact CA-O 3.24Å; V45-L58 WeakPolarHBondContact CA-O 3.44Å; V45-L58 WeakPolarHBondContact CB-O 3.39Å; V45-V59 HydrophobicContact CG1-CG2 4.08Å
46T93.5Very high89Confident22 Ų2277.6 Ų77.614%0.13541%0.409CS..EExtended strand (participates in β ladder)trans-123.9165.5171.9-165.70000109.9S23 T25 F57 L58 L60S23-T46 PolarHBondContact O-OG1 3.38Å; T25-T46 WeakPolarHBondContact OG1-CA 3.47Å; T46-F57 CarbonylContact O-C 3.53Å; T46-F57 VanDerWaalsContact O-CA 3.25Å; T46-F57 WeakPolarHBondContact O-CA 3.28Å; T46-F57 WeakPolarHBondContact O-CB 3.17Å; T46-L58 HydrophobicContact CG2-CB 4.24Å; T46-L58 PolarHBondContact N-O 3.42Å; T46-L58 PolarHBondContact O-N 3.09Å; T46-L60 HydrophobicContact CG2-CD1 4.3Å; T46-L60 HydrophobicContact CG2-CD2 3.86Å; T46-L60 HydrophobicContact CG2-CG 4.19Å
47K91.1Very high89.6Confident129 Ų12975.4 Ų75.456%0.56138%0.382SS*.EExtended strand (participates in β ladder)trans-62.3138.4170.3-68.9177.6-178.1173.20108.8T25 P49T25-K47 HydrophobicContact CG2-CG 4.33Å; K47-P49 WeakPolarHBondContact O-CD 3.47Å; K47-P49 VanDerWaalsContact O-N 3.14Å
48D90Very high89.9Confident38 Ų3874.6 Ų74.620%0.20338%0.378CS..  trans-65.3112.5178.9-176.5-5.6000110.2F50 S51 K56D48-F50 PolarHBondContact O-N 2.81Å; D48-F50 WeakPolarHBondContact OD1-CB 3.5Å; D48-F50 PolarHBondContact OD1-N 2.93Å; D48-S51 PolarHBondContact O-N 2.93Å; D48-K56 HydrophobicContact CB-CB 3.92Å; D48-K56 PolarHBondContact N-O 3.42Å; D48-K56 VanDerWaalsContact N-O 3.09Å
49P87.9Confident90.1Very high94 Ų9472.2 Ų72.261%0.6136%0.363SS*.THydrogen-bonded Turntrans-73.4-11.3-178.532.3-35000112.7K47K47-P49 WeakPolarHBondContact O-CD 3.47Å; K47-P49 VanDerWaalsContact O-N 3.14Å
50F87.9Confident90.2Very high179 Ų17971.6 Ų71.679%0.78536%0.36SS*.THydrogen-bonded Turntrans-100-2.9-179.2-52.3-70.7000112.7D48D48-F50 PolarHBondContact O-N 2.81Å; D48-F50 WeakPolarHBondContact OD1-CB 3.5Å; D48-F50 PolarHBondContact OD1-N 2.93Å
51S86.2Confident90.4Very high23 Ų2365.2 Ų65.216%0.16133%0.327CS..  trans-112.7133.9176.2-155.60000111.8D48 D53 K56D48-S51 PolarHBondContact O-N 2.93Å; S51-D53 PolarHBondContact O-N 2.93Å; S51-K56 WeakPolarHBondContact OG-CD 3.44Å; S51-K56 PolarHBondContact OG-NZ 3.07Å
52P81.9Confident90.6Very high131 Ų13164.3 Ų64.385%0.85132%0.323SS*.SBendtrans-70.9-15.717130.5-35.5000112.4
53D82.4Confident90.7Very high68 Ų6860.6 Ų60.636%0.36431%0.31SS..  trans-79.9117.3179-175.7-1.9000111S51 E55 K56S51-D53 PolarHBondContact O-N 2.93Å; D53-E55 PolarHBondContact O-N 3.02Å; D53-E55 WeakPolarHBondContact OD1-CB 3.5Å; D53-E55 PolarHBondContact OD1-N 3.48Å; D53-K56 HydrophobicContact CB-CG 4.2Å; D53-K56 PolarHBondContact O-N 3.24Å
54K74Confident90.7Very high180 Ų18060.5 Ų60.578%0.78331%0.309SS*.THydrogen-bonded Turntrans-70.5-10.4-178.4-62.2-178.5-178.2178.60113.3
55E79.6Confident90.8Very high77 Ų7761.6 Ų61.636%0.3632%0.32SS..THydrogen-bonded Turntrans-83.8-13.3176.4-61.1-175.2177.300112.6R35 D53R35-E55 IonicContact CZ-OE2 2.8Å; R35-E55 IonicContact NE-OE2 3.28Å; R35-E55 PolarHBondContact NE-OE2 3Å; R35-E55 IonicContact NH2-OE1 2.74Å; R35-E55 IonicContact NH2-OE2 2.91Å; R35-E55 PolarHBondContact NH2-OE2 3.08Å; D53-E55 PolarHBondContact O-N 3.02Å; D53-E55 WeakPolarHBondContact OD1-CB 3.5Å; D53-E55 PolarHBondContact OD1-N 3.48Å
56K87.6Confident90.9Very high106 Ų10666.1 Ų66.146%0.46134%0.343SS..  trans-86.7144.1179-61.9-164-162.4167.50112.4D48 S51 D53D48-K56 HydrophobicContact CB-CB 3.92Å; D48-K56 PolarHBondContact N-O 3.42Å; D48-K56 VanDerWaalsContact N-O 3.09Å; S51-K56 WeakPolarHBondContact OG-CD 3.44Å; S51-K56 PolarHBondContact OG-NZ 3.07Å; D53-K56 HydrophobicContact CB-CG 4.2Å; D53-K56 PolarHBondContact O-N 3.24Å
57F91.5Very high91.1Very high48 Ų4867.9 Ų67.921%0.21136%0.356CS..EExtended strand (participates in β ladder)trans-132.9153.9-178.567.4-86000110.8P31 T34 I37 L39 V45 T46 V59P31-F57 HydrophobicContact CB-CD1 4.05Å; P31-F57 HydrophobicContact CB-CD2 4.43Å; P31-F57 HydrophobicContact CB-CE1 4.18Å; P31-F57 HydrophobicContact CB-CG 4.19Å; P31-F57 HydrophobicContact CB-CZ 4.41Å; P31-F57 HydrophobicContact CG-CD1 4.37Å; P31-F57 HydrophobicContact CG-CD2 4.16Å; P31-F57 HydrophobicContact CG-CE1 4.12Å; P31-F57 HydrophobicContact CG-CE2 3.89Å; P31-F57 HydrophobicContact CG-CG 4.4Å; P31-F57 HydrophobicContact CG-CZ 3.87Å; T34-F57 HydrophobicContact CG2-CD1 3.57Å; T34-F57 HydrophobicContact CG2-CE1 3.52Å; I37-F57 HydrophobicContact CD1-CE1 4.05Å; I37-F57 HydrophobicContact CG2-CE1 4.31Å; I37-F57 HydrophobicContact CG2-CZ 4.01Å; L39-F57 HydrophobicContact CD1-CE2 4.33Å; L39-F57 HydrophobicContact CD2-CE2 4.06Å; L39-F57 HydrophobicContact CD2-CZ 4.08Å; V45-F57 HydrophobicContact CB-CD2 4.06Å; V45-F57 HydrophobicContact CG1-CD2 3.95Å; V45-F57 HydrophobicContact CG1-CE2 4.36Å; T46-F57 CarbonylContact O-C 3.53Å; T46-F57 VanDerWaalsContact O-CA 3.25Å; T46-F57 WeakPolarHBondContact O-CA 3.28Å; T46-F57 WeakPolarHBondContact O-CB 3.17Å; F57-V59 HydrophobicContact CD2-CG2 4.28Å; F57-V59 HydrophobicContact CE2-CG2 3.91Å
58L93.7Very high91.4Very high73 Ų7367.7 Ų67.738%0.38236%0.361SS..EExtended strand (participates in β ladder)trans-112.8132.7173.8-174.270.6000109.5V45 T46V45-L58 VanDerWaalsContact CA-O 3.24Å; V45-L58 WeakPolarHBondContact CA-O 3.44Å; V45-L58 WeakPolarHBondContact CB-O 3.39Å; T46-L58 HydrophobicContact CG2-CB 4.24Å; T46-L58 PolarHBondContact N-O 3.42Å; T46-L58 PolarHBondContact O-N 3.09Å
59V95.8Very high91.8Very high35 Ų3567.8 Ų67.821%0.21236%0.361CS..EExtended strand (participates in β ladder)trans-83120.1173.4177.40000109.3L39 C43 V45 F57 V73L39-V59 HydrophobicContact CD1-CG2 4.43Å; C43-V59 HydrophobicContact CB-CG1 3.94Å; V45-V59 HydrophobicContact CG1-CG2 4.08Å; F57-V59 HydrophobicContact CD2-CG2 4.28Å; F57-V59 HydrophobicContact CE2-CG2 3.91Å; V59-V73 HydrophobicContact CB-CG1 4.39Å; V59-V73 HydrophobicContact CG1-CG1 3.83Å; V59-V73 WeakPolarHBondContact O-CG1 3.42Å
60L97.4Very high92.3Very high15 Ų1564.8 Ų64.88%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-85.4-42.1179.1-59.6174.9000111.6F13 T22 F44 T46 C72 V73F13-L60 HydrophobicContact CB-CD1 4.08Å; F13-L60 HydrophobicContact CD1-CB 3.91Å; F13-L60 HydrophobicContact CD1-CD1 4.32Å; F13-L60 HydrophobicContact CE1-CB 4.16Å; F13-L60 HydrophobicContact CG-CB 4.26Å; F13-L60 HydrophobicContact CG-CD1 4.37Å; T22-L60 HydrophobicContact CG2-CD1 3.6Å; T22-L60 HydrophobicContact CG2-CD2 3.72Å; T22-L60 HydrophobicContact CG2-CG 4.23Å; F44-L60 HydrophobicContact CB-CB 4.35Å; F44-L60 WeakPolarHBondContact O-CB 3.38Å; F44-L60 PolarHBondContact O-N 3.44Å; T46-L60 HydrophobicContact CG2-CD1 4.3Å; T46-L60 HydrophobicContact CG2-CD2 3.86Å; T46-L60 HydrophobicContact CG2-CG 4.19Å; L60-C72 CarbonylContact O-C 3.5Å; L60-C72 WeakPolarHBondContact O-CA 3.1Å; L60-C72 WeakPolarHBondContact O-CB 3.43Å; L60-V73 PolarHBondContact O-N 3.12Å
61G98Very high92.8Very high0 Ų056.3 Ų56.30%031%0.305CS..EExtended strand (participates in β ladder)trans173.2-177-172.600000112.8C43 F44 V71C43-G61 WeakPolarHBondContact CA-O 3.42Å; F44-G61 PolarHBondContact N-O 3.36Å; G61-V71 CarbonylContact C-O 3.55Å; G61-V71 WeakPolarHBondContact CA-O 3.22Å
62S98.2Very high93.4Very high1 Ų155.4 Ų55.41%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-149.9178.6171.972.70000110.5E41 E42 V71 R84E41-S62 PolarHBondContact OE1-OG 3.5Å; E41-S62 PolarHBondContact OE2-OG 3.07Å; E42-S62 WeakPolarHBondContact O-CB 3.47Å; S62-V71 PolarHBondContact N-O 3.13Å; S62-V71 PolarHBondContact O-N 2.92Å; S62-R84 WeakPolarHBondContact OG-CB 3.35Å; S62-R84 WeakPolarHBondContact OG-CD 3.25Å; S62-R84 PolarHBondContact OG-NE 2.8Å
63A98.3Very high94.2Very high26 Ų2652.9 Ų52.922%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-77.3137.4170.600000110.9S65A63-S65 PolarHBondContact O-N 2.95Å
64C98.4Very high94.9Very high0 Ų050.7 Ų50.70%027%0.273CS..  trans-60127.9170.7176.10000110.3L66 C67 N68 M69 C86C64-L66 PolarHBondContact O-N 3.31Å; C64-C67 PolarHBondContact SG-SG 3.29Å; C64-N68 WeakPolarHBondContact O-CA 3.37Å; C64-N68 PolarHBondContact O-N 3.12Å; C64-M69 HydrophobicContact CB-CB 4.41Å; C64-M69 WeakPolarHBondContact CB-O 3Å; C64-M69 PolarHBondContact N-O 3.29Å; C64-C86 HydrophobicContact CB-CB 3.98Å; C64-C86 PolarHBondContact SG-N 3.17Å; C64-C86 VanDerWaalsContact SG-SG 3.68Å
65S97.8Very high95.9Very high47 Ų4745.6 Ų45.633%0.32926%0.259SS..THydrogen-bonded Turntrans-68.8-7.5-176.5-680000115.6A63 K83 R84A63-S65 PolarHBondContact O-N 2.95Å; S65-K83 WeakPolarHBondContact OG-CB 3.34Å; S65-K83 WeakPolarHBondContact OG-CD 3.25Å; S65-R84 PolarHBondContact N-O 2.8Å; S65-R84 PolarHBondContact OG-O 2.91Å
66L97.7Very high96.7Very high96 Ų9648.8 Ų48.850%0.50328%0.278SS..THydrogen-bonded Turntrans-107.7-38.9178.6-69176.8000113.1C64 F85 C89C64-L66 PolarHBondContact O-N 3.31Å; L66-F85 HydrophobicContact CD1-CD1 3.86Å; L66-F85 HydrophobicContact CD1-CE1 4.12Å; L66-F85 HydrophobicContact CD2-CE1 4.47Å; L66-F85 HydrophobicContact CG-CD1 3.81Å; L66-F85 HydrophobicContact CG-CE1 3.86Å; L66-C89 HydrophobicContact CB-CB 4.42Å; L66-C89 HydrophobicContact CD1-CB 4Å
67C98.1Very high97.2Very high59 Ų5944.1 Ų44.140%0.39926%0.259SS..THydrogen-bonded Turntrans-1201.7-175.6670000114.2C64 M69 C86C64-C67 PolarHBondContact SG-SG 3.29Å; C67-M69 PolarHBondContact O-N 3.33Å; C67-M69 VanDerWaalsContact SG-CB 3.55Å; C67-C86 VanDerWaalsContact SG-SG 3.68Å
68N98Very high97.5Very high125 Ų12542.3 Ų42.367%0.66825%0.252SS*.  trans58.79.6-178.2-58.8-45000115.7C64 C70C64-N68 WeakPolarHBondContact O-CA 3.37Å; C64-N68 PolarHBondContact O-N 3.12Å; N68-C70 PolarHBondContact O-N 2.98Å
69M97.9Very high97.6Very high40 Ų4040.4 Ų40.420%0.19724%0.242CC..  trans-65.3129.5176.4-172.6-177.5-61.600111.1Q16 L17 C64 C67 V71Q16-M69 HydrophobicContact CB-CG 3.49Å; Q16-M69 VanDerWaalsContact CB-CG 3.49Å; Q16-M69 HydrophobicContact CB-SD 3.83Å; Q16-M69 HydrophobicContact CG-CG 4.03Å; L17-M69 HydrophobicContact CD2-SD 3.84Å; L17-M69 HydrophobicContact CG-SD 4.08Å; C64-M69 HydrophobicContact CB-CB 4.41Å; C64-M69 WeakPolarHBondContact CB-O 3Å; C64-M69 PolarHBondContact N-O 3.29Å; C67-M69 PolarHBondContact O-N 3.33Å; C67-M69 VanDerWaalsContact SG-CB 3.55Å; M69-V71 HydrophobicContact CG-CG1 4.27Å; M69-V71 PolarHBondContact O-N 2.74Å; M69-V71 HydrophobicContact SD-CG1 4.41Å
70C98.3Very high97.6Very high32 Ų3242.6 Ų42.622%0.21625%0.249CC..EExtended strand (participates in β ladder)trans-68.6120.5174.8-71.30000110.4F13 S14 Q16 N68F13-C70 HydrophobicContact CE2-CB 4.37Å; S14-C70 WeakPolarHBondContact O-CB 3.02Å; Q16-C70 HydrophobicContact CG-CB 4.48Å; Q16-C70 PolarHBondContact N-O 3.06Å; N68-C70 PolarHBondContact O-N 2.98Å
71V98.6Very high97.3Very high0 Ų047.4 Ų47.40%027%0.267CS..EExtended strand (participates in β ladder)trans-135.7138.6-177.2-70.40000111.7L17 G61 S62 M69 R84 C86L17-V71 HydrophobicContact CD1-CG1 3.84Å; L17-V71 HydrophobicContact CG-CG1 3.95Å; G61-V71 CarbonylContact C-O 3.55Å; G61-V71 WeakPolarHBondContact CA-O 3.22Å; S62-V71 PolarHBondContact N-O 3.13Å; S62-V71 PolarHBondContact O-N 2.92Å; M69-V71 HydrophobicContact CG-CG1 4.27Å; M69-V71 PolarHBondContact O-N 2.74Å; M69-V71 HydrophobicContact SD-CG1 4.41Å; V71-R84 HydrophobicContact CG2-CG 4.15Å; V71-C86 HydrophobicContact CB-CB 4.5Å; V71-C86 HydrophobicContact CG1-CB 3.64Å; V71-C86 HydrophobicContact CG2-CB 4.27Å
72C98.6Very high96.9Very high5 Ų551.5 Ų51.53%0.03429%0.293CS..EExtended strand (participates in β ladder)trans-74.5169.118069.80000112.2F13 C15 L20 L60 G74 C77 S78F13-C72 HydrophobicContact CE1-CB 3.98Å; F13-C72 HydrophobicContact CZ-CB 3.99Å; C15-C72 HydrophobicContact CB-CB 3.99Å; C15-C72 PolarHBondContact SG-N 2.89Å; L20-C72 HydrophobicContact CD2-CB 3.84Å; L60-C72 CarbonylContact O-C 3.5Å; L60-C72 WeakPolarHBondContact O-CA 3.1Å; L60-C72 WeakPolarHBondContact O-CB 3.43Å; C72-G74 PolarHBondContact O-N 3.43Å; C72-G74 VanDerWaalsContact O-N 3.15Å; C72-G74 PolarHBondContact SG-N 2.65Å; C72-G74 VanDerWaalsContact SG-N 3.44Å; C72-C77 VanDerWaalsContact SG-SG 3.64Å; C72-S78 WeakPolarHBondContact O-CB 3.43Å; C72-S78 PolarHBondContact O-OG 2.93Å
73V97.8Very high96.8Very high78 Ų7857.1 Ų57.147%0.47332%0.317SS..SBendtrans-64.9-4.8172.2-65.80000114.7V59 L60V59-V73 HydrophobicContact CB-CG1 4.39Å; V59-V73 HydrophobicContact CG1-CG1 3.83Å; V59-V73 WeakPolarHBondContact O-CG1 3.42Å; L60-V73 PolarHBondContact O-N 3.12Å
74G97.3Very high96.7Very high21 Ų2156.5 Ų56.522%0.21631%0.309CS..  trans-59.5136.5179.400000112C72 D76 C77 S78C72-G74 PolarHBondContact O-N 3.43Å; C72-G74 VanDerWaalsContact O-N 3.15Å; C72-G74 PolarHBondContact SG-N 2.65Å; C72-G74 VanDerWaalsContact SG-N 3.44Å; G74-D76 PolarHBondContact O-N 3.35Å; G74-C77 PolarHBondContact O-N 3.5Å; G74-S78 PolarHBondContact O-N 2.89Å
75P95.4Very high96.7Very high74 Ų7457.8 Ų57.848%0.48131%0.314SS..THydrogen-bonded Turntrans-65.4-21.5-174.727.1-35.6000113.7
76D95.7Very high96.8Very high143 Ų14355.5 Ų55.577%0.76530%0.299SS*.THydrogen-bonded Turntrans-85.2-13.2174.9-56.7-49.1000112.6G74 M87G74-D76 PolarHBondContact O-N 3.35Å; D76-M87 VanDerWaalsContact C-CG 3.46Å; D76-M87 WeakPolarHBondContact O-CB 3.45Å; D76-M87 WeakPolarHBondContact O-CG 3.32Å
77C98.1Very high96.7Very high8 Ų852.2 Ų52.25%0.05428%0.281CS..THydrogen-bonded Turntrans-103.5-38.7-178.3-67.80000112.3L17 C18 C72 G74 C86 M87L17-C77 HydrophobicContact CB-CB 4.36Å; L17-C77 HydrophobicContact CD1-CB 4.24Å; L17-C77 WeakPolarHBondContact CD1-O 3.47Å; C18-C77 VanDerWaalsContact CB-SG 3.59Å; C72-C77 VanDerWaalsContact SG-SG 3.64Å; G74-C77 PolarHBondContact O-N 3.5Å; C77-C86 CarbonylContact O-C 3.59Å; C77-C86 VanDerWaalsContact O-CA 3.28Å; C77-C86 WeakPolarHBondContact O-CA 3.49Å; C77-M87 PolarHBondContact O-N 2.96Å
78S97.8Very high96.7Very high10 Ų1055 Ų557%0.0729%0.288CS..EExtended strand (participates in β ladder)trans-150.1161.3-177.972.30000114.9C72 G74 R84 F85C72-S78 WeakPolarHBondContact O-CB 3.43Å; C72-S78 PolarHBondContact O-OG 2.93Å; G74-S78 PolarHBondContact O-N 2.89Å; S78-R84 WeakPolarHBondContact OG-CD 3.4Å; S78-R84 PolarHBondContact OG-NH1 2.94Å; S78-F85 CarbonylContact C-O 3.54Å; S78-F85 WeakPolarHBondContact CA-O 3.3Å; S78-F85 WeakPolarHBondContact CB-O 3.37Å
79L96.9Very high96.7Very high33 Ų3349.8 Ų49.817%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-122.7128.9168.9175.468.3000108.4R84 F85 M87 V90 F97 I101 L105L79-R84 WeakPolarHBondContact O-CA 3.49Å; L79-F85 PolarHBondContact N-O 3.18Å; L79-F85 PolarHBondContact O-N 2.91Å; L79-M87 HydrophobicContact CB-SD 4.34Å; L79-V90 HydrophobicContact CB-CG2 3.89Å; L79-V90 HydrophobicContact CD2-CG1 4.28Å; L79-V90 HydrophobicContact CD2-CG2 4.21Å; L79-F97 HydrophobicContact CD2-CD1 4.32Å; L79-F97 HydrophobicContact CD2-CE1 3.96Å; L79-F97 HydrophobicContact CD2-CZ 4.46Å; L79-I101 HydrophobicContact CD2-CG2 3.73Å; L79-L105 HydrophobicContact CD2-CD1 4.32Å
80F95.7Very high96.7Very high82 Ų8247.9 Ų47.936%0.3625%0.252SS..EExtended strand (participates in β ladder)trans-97.5129.6166.1-176.7-93.1000109.7L40 E41 R84L40-F80 HydrophobicContact CB-CE2 4.46Å; L40-F80 HydrophobicContact CB-CZ 3.89Å; L40-F80 HydrophobicContact CD1-CE1 4.18Å; L40-F80 HydrophobicContact CD1-CZ 3.84Å; L40-F80 HydrophobicContact CG-CZ 4.47Å; E41-F80 HydrophobicContact CG-CE2 4.1Å; E41-F80 WeakPolarHBondContact OE1-CD2 3.43Å; F80-R84 HydrophobicContact CD2-CB 4.46Å
81Y90.8Very high96.5Very high115 Ų11550 Ų5045%0.45126%0.261SS..SBendtrans-128.8-85170.7175.2-123.5000110.2K83 P98 I101Y81-K83 PolarHBondContact N-O 3.15Å; Y81-K83 VanDerWaalsContact N-O 3.11Å; Y81-P98 HydrophobicContact CE1-CG 4.32Å; Y81-I101 HydrophobicContact CD2-CD1 4.26Å
82T90.7Very high96.5Very high87 Ų8757.8 Ų57.853%0.53430%0.295SS..SBendtrans-96.8-25.8165.952.50000111.7
83K94.6Very high96.3Very high118 Ų11859.9 Ų59.951%0.51330%0.304SS..SBendtrans-145.7172.5172.3-49-176177.1-175.30108.3S65 Y81 F85S65-K83 WeakPolarHBondContact OG-CB 3.34Å; S65-K83 WeakPolarHBondContact OG-CD 3.25Å; Y81-K83 PolarHBondContact N-O 3.15Å; Y81-K83 VanDerWaalsContact N-O 3.11Å; K83-F85 HydrophobicContact CB-CE2 4.3Å; K83-F85 HydrophobicContact CB-CZ 4.21Å; K83-F85 WeakPolarHBondContact O-CD2 3.14Å; K83-F85 VanDerWaalsContact O-CE2 3.32Å; K83-F85 WeakPolarHBondContact O-CE2 3.44Å
84R97.6Very high96.1Very high13 Ų1358.7 Ų58.75%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-86.6136.9173.3-169.5170.2-51.7-133.2-1.9113.5E41 S62 S65 V71 S78 L79 F80E41-R84 IonicContact OE1-CZ 3.44Å; E41-R84 VanDerWaalsContact OE1-CZ 3.28Å; E41-R84 IonicContact OE1-NE 3.92Å; E41-R84 PolarHBondContact OE1-NE 3.11Å; E41-R84 IonicContact OE1-NH2 2.82Å; E41-R84 PolarHBondContact OE1-NH2 2.72Å; E41-R84 WeakPolarHBondContact OE2-CB 3.32Å; E41-R84 PolarHBondContact OE2-N 3.33Å; E41-R84 IonicContact OE2-NE 3.18Å; S62-R84 WeakPolarHBondContact OG-CB 3.35Å; S62-R84 WeakPolarHBondContact OG-CD 3.25Å; S62-R84 PolarHBondContact OG-NE 2.8Å; S65-R84 PolarHBondContact N-O 2.8Å; S65-R84 PolarHBondContact OG-O 2.91Å; V71-R84 HydrophobicContact CG2-CG 4.15Å; S78-R84 WeakPolarHBondContact OG-CD 3.4Å; S78-R84 PolarHBondContact OG-NH1 2.94Å; L79-R84 WeakPolarHBondContact O-CA 3.49Å; F80-R84 HydrophobicContact CD2-CB 4.46Å
85F97.9Very high96Very high27 Ų2762.9 Ų62.912%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-126.4135.1174.2-55.6-81.7000109.1L66 S78 L79 K83 V90 F97L66-F85 HydrophobicContact CD1-CD1 3.86Å; L66-F85 HydrophobicContact CD1-CE1 4.12Å; L66-F85 HydrophobicContact CD2-CE1 4.47Å; L66-F85 HydrophobicContact CG-CD1 3.81Å; L66-F85 HydrophobicContact CG-CE1 3.86Å; S78-F85 CarbonylContact C-O 3.54Å; S78-F85 WeakPolarHBondContact CA-O 3.3Å; S78-F85 WeakPolarHBondContact CB-O 3.37Å; L79-F85 PolarHBondContact N-O 3.18Å; L79-F85 PolarHBondContact O-N 2.91Å; K83-F85 HydrophobicContact CB-CE2 4.3Å; K83-F85 HydrophobicContact CB-CZ 4.21Å; K83-F85 WeakPolarHBondContact O-CD2 3.14Å; K83-F85 VanDerWaalsContact O-CE2 3.32Å; K83-F85 WeakPolarHBondContact O-CE2 3.44Å; F85-V90 HydrophobicContact CB-CG2 3.68Å; F85-F97 HydrophobicContact CD2-CE1 4.13Å; F85-F97 AromaticContact CD2-CZ 3.86Å; F85-F97 HydrophobicContact CD2-CZ 3.86Å; F85-F97 HydrophobicContact CE2-CE1 4.3Å; F85-F97 HydrophobicContact CE2-CZ 4.25Å; F85-F97 HydrophobicContact CG-CZ 4.19Å
86C98.5Very high95.9Very high0 Ų066 Ų660%032%0.32CS..EExtended strand (participates in β ladder)trans-66.4151.6171.872.70000110.2L17 C64 C67 V71 C77 Q88 C89 V90L17-C86 HydrophobicContact CD1-CB 4.04Å; C64-C86 HydrophobicContact CB-CB 3.98Å; C64-C86 PolarHBondContact SG-N 3.17Å; C64-C86 VanDerWaalsContact SG-SG 3.68Å; C67-C86 VanDerWaalsContact SG-SG 3.68Å; V71-C86 HydrophobicContact CB-CB 4.5Å; V71-C86 HydrophobicContact CG1-CB 3.64Å; V71-C86 HydrophobicContact CG2-CB 4.27Å; C77-C86 CarbonylContact O-C 3.59Å; C77-C86 VanDerWaalsContact O-CA 3.28Å; C77-C86 WeakPolarHBondContact O-CA 3.49Å; C86-Q88 PolarHBondContact O-N 3.41Å; C86-Q88 VanDerWaalsContact O-N 3.13Å; C86-C89 WeakPolarHBondContact O-CB 3.32Å; C86-C89 PolarHBondContact O-N 3.2Å; C86-C89 PolarHBondContact SG-N 3.46Å; C86-C89 VanDerWaalsContact SG-N 3.43Å; C86-V90 WeakPolarHBondContact O-CG2 3.16Å; C86-V90 PolarHBondContact O-N 3.34Å
87M97.2Very high95.8Very high27 Ų2760 Ų6013%0.13329%0.288CS..Hα-helixtrans-62.8-24.5-176.6-74.3-51.4-62.700113.6D76 C77 L79 V90 N91 L105D76-M87 VanDerWaalsContact C-CG 3.46Å; D76-M87 WeakPolarHBondContact O-CB 3.45Å; D76-M87 WeakPolarHBondContact O-CG 3.32Å; C77-M87 PolarHBondContact O-N 2.96Å; L79-M87 HydrophobicContact CB-SD 4.34Å; M87-V90 HydrophobicContact CE-CB 4.32Å; M87-V90 HydrophobicContact CE-CG1 4.13Å; M87-V90 HydrophobicContact SD-CB 4.22Å; M87-V90 HydrophobicContact SD-CG1 4.4Å; M87-V90 HydrophobicContact SD-CG2 4.17Å; M87-N91 PolarHBondContact O-N 3.5Å; M87-N91 PolarHBondContact O-ND2 2.82Å; M87-L105 HydrophobicContact CE-CD2 4.15Å
88Q97.8Very high95.7Very high117 Ų11762 Ų6255%0.54730%0.301SS..Hα-helixtrans-63.5-48.8170.9-65177.9-13.300111.4L17 C86 N91 K92L17-Q88 HydrophobicContact CD2-CG 4.11Å; C86-Q88 PolarHBondContact O-N 3.41Å; C86-Q88 VanDerWaalsContact O-N 3.13Å; Q88-N91 PolarHBondContact O-N 3.45Å; Q88-K92 PolarHBondContact O-N 3.32Å; Q88-K92 VanDerWaalsContact O-N 3.08Å
89C97.9Very high95.5Very high15 Ų1568 Ų6810%0.10133%0.327CS..Hα-helixtrans-64.6-40.3175.8-76.80000112.3L66 C86 N91 K92 H93L66-C89 HydrophobicContact CB-CB 4.42Å; L66-C89 HydrophobicContact CD1-CB 4Å; C86-C89 WeakPolarHBondContact O-CB 3.32Å; C86-C89 PolarHBondContact O-N 3.2Å; C86-C89 PolarHBondContact SG-N 3.46Å; C86-C89 VanDerWaalsContact SG-N 3.43Å; C89-N91 PolarHBondContact O-N 3.01Å; C89-K92 PolarHBondContact O-N 3.47Å; C89-H93 PolarHBondContact O-CD2 3.41Å; C89-H93 PolarHBondContact O-N 2.93Å
90V97.1Very high95.3Very high0 Ų073.6 Ų73.60%035%0.352CS..Hα-helixtrans-58.9-46.9176.2173.40000111L79 F85 C86 M87 K92 H93 L94 F97 L105L79-V90 HydrophobicContact CB-CG2 3.89Å; L79-V90 HydrophobicContact CD2-CG1 4.28Å; L79-V90 HydrophobicContact CD2-CG2 4.21Å; F85-V90 HydrophobicContact CB-CG2 3.68Å; C86-V90 WeakPolarHBondContact O-CG2 3.16Å; C86-V90 PolarHBondContact O-N 3.34Å; M87-V90 HydrophobicContact CE-CB 4.32Å; M87-V90 HydrophobicContact CE-CG1 4.13Å; M87-V90 HydrophobicContact SD-CB 4.22Å; M87-V90 HydrophobicContact SD-CG1 4.4Å; M87-V90 HydrophobicContact SD-CG2 4.17Å; V90-K92 PolarHBondContact O-N 3.31Å; V90-H93 CarbonylContact O-C 3.55Å; V90-H93 PolarHBondContact O-N 3.43Å; V90-L94 WeakPolarHBondContact O-CA 3.25Å; V90-L94 WeakPolarHBondContact O-CB 3.37Å; V90-L94 PolarHBondContact O-N 3.31Å; V90-F97 HydrophobicContact CG1-CE2 4.4Å; V90-F97 HydrophobicContact CG2-CE2 4.5Å; V90-F97 HydrophobicContact CG2-CZ 4.25Å; V90-L105 HydrophobicContact CG1-CD1 3.56Å
91N95.3Very high95.2Very high76 Ų7671.5 Ų71.541%0.40635%0.345SS..Hα-helixtrans-67.6-34.9179.5-73.9-61000112.4M87 Q88 C89 K109M87-N91 PolarHBondContact O-N 3.5Å; M87-N91 PolarHBondContact O-ND2 2.82Å; Q88-N91 PolarHBondContact O-N 3.45Å; C89-N91 PolarHBondContact O-N 3.01Å; N91-K109 PolarHBondContact OD1-NZ 3.23Å
92K97.3Very high95.3Very high164 Ų16470 Ų7071%0.71334%0.338SS*.Hα-helixtrans-69.2-33.1178.6-175176.9178.9-1790113.2Q88 C89 V90Q88-K92 PolarHBondContact O-N 3.32Å; Q88-K92 VanDerWaalsContact O-N 3.08Å; C89-K92 PolarHBondContact O-N 3.47Å; V90-K92 PolarHBondContact O-N 3.31Å
93H95.8Very high95.4Very high49 Ų4967.4 Ų67.423%0.22733%0.325CS..THydrogen-bonded Turntrans-116.427.1-175.8-60.5-77.9000112.1C89 V90 D95 Q96 F97C89-H93 PolarHBondContact O-CD2 3.41Å; C89-H93 PolarHBondContact O-N 2.93Å; V90-H93 CarbonylContact O-C 3.55Å; V90-H93 PolarHBondContact O-N 3.43Å; H93-D95 VanDerWaalsContact C-OD1 3.31Å; H93-D95 PolarHBondContact O-N 3.29Å; H93-Q96 HydrophobicContact CB-CG 4.49Å; H93-Q96 PolarHBondContact ND1-NE2 3.07Å; H93-Q96 WeakPolarHBondContact O-CB 3.45Å; H93-Q96 PolarHBondContact O-N 2.9Å; H93-F97 WeakPolarHBondContact O-CD2 3.21Å
94L93.9Very high95.2Very high53 Ų5366.5 Ų66.528%0.27732%0.323SS..G310 helixtrans-60.4-35.7-169.9-171.3120.3000112.1V90 Q96 F97 R102 L105V90-L94 WeakPolarHBondContact O-CA 3.25Å; V90-L94 WeakPolarHBondContact O-CB 3.37Å; V90-L94 PolarHBondContact O-N 3.31Å; L94-Q96 PolarHBondContact O-N 2.86Å; L94-F97 PolarHBondContact O-N 2.87Å; L94-R102 HydrophobicContact CD2-CB 4.5Å; L94-R102 HydrophobicContact CD2-CG 4.22Å; L94-R102 HydrophobicContact CG-CG 4.31Å; L94-R102 WeakPolarHBondContact O-CD 3.41Å; L94-R102 WeakPolarHBondContact O-CG 3.24Å; L94-L105 HydrophobicContact CD1-CD1 4.12Å
95D94.1Very high94.9Very high109 Ų10966.8 Ų66.858%0.58333%0.325SS*.G310 helixtrans-60.4-29.8177.661.1-45.9000113.3H93 R102H93-D95 VanDerWaalsContact C-OD1 3.31Å; H93-D95 PolarHBondContact O-N 3.29Å; D95-R102 PolarHBondContact O-NH1 2.8Å
96Q93.9Very high94.5Very high139 Ų13967.8 Ų67.865%0.6534%0.339SS*.G310 helixtrans-78.9-16.1-179.4-55-176.619.300113.6H93 L94H93-Q96 HydrophobicContact CB-CG 4.49Å; H93-Q96 PolarHBondContact ND1-NE2 3.07Å; H93-Q96 WeakPolarHBondContact O-CB 3.45Å; H93-Q96 PolarHBondContact O-N 2.9Å; L94-Q96 PolarHBondContact O-N 2.86Å
97F93.3Very high93.9Very high19 Ų1973.4 Ų73.48%0.08336%0.363CS..SBendtrans-78.4149177.3-77-90.9000111.7L79 F85 V90 H93 L94 I101 R102L79-F97 HydrophobicContact CD2-CD1 4.32Å; L79-F97 HydrophobicContact CD2-CE1 3.96Å; L79-F97 HydrophobicContact CD2-CZ 4.46Å; F85-F97 HydrophobicContact CD2-CE1 4.13Å; F85-F97 AromaticContact CD2-CZ 3.86Å; F85-F97 HydrophobicContact CD2-CZ 3.86Å; F85-F97 HydrophobicContact CE2-CE1 4.3Å; F85-F97 HydrophobicContact CE2-CZ 4.25Å; F85-F97 HydrophobicContact CG-CZ 4.19Å; V90-F97 HydrophobicContact CG1-CE2 4.4Å; V90-F97 HydrophobicContact CG2-CE2 4.5Å; V90-F97 HydrophobicContact CG2-CZ 4.25Å; H93-F97 WeakPolarHBondContact O-CD2 3.21Å; L94-F97 PolarHBondContact O-N 2.87Å; F97-I101 HydrophobicContact CB-CB 4.25Å; F97-I101 HydrophobicContact CB-CG2 4.14Å; F97-I101 HydrophobicContact CD1-CG2 3.95Å; F97-I101 HydrophobicContact CG-CG2 4.27Å; F97-R102 HydrophobicContact CB-CG 4.22Å; F97-R102 PolarHBondContact O-NH1 3.21Å
98P95Very high93.1Very high50 Ų5078 Ų7833%0.32538%0.382SS..  trans-53.6148.8174.5-25.934.2000113.1Y81 Q100 I101 R102Y81-P98 HydrophobicContact CE1-CG 4.32Å; P98-Q100 PolarHBondContact O-N 3.44Å; P98-Q100 VanDerWaalsContact O-N 3.11Å; P98-I101 HydrophobicContact CB-CG1 4.48Å; P98-I101 PolarHBondContact O-N 2.98Å; P98-R102 PolarHBondContact O-N 2.95Å
99H94.1Very high92Very high134 Ų13477.7 Ų77.762%0.6238%0.379SS*.Hα-helixtrans-51.3-40.4-177.6177.3-86.5000113.3I101 R102 A103H99-I101 VanDerWaalsContact C-N 3.35Å; H99-I101 PolarHBondContact O-N 3.1Å; H99-R102 PolarHBondContact O-N 3.37Å; H99-A103 WeakPolarHBondContact O-CB 3.25Å; H99-A103 PolarHBondContact O-N 2.83Å
100Q93.4Very high90.3Very high152 Ų15283.5 Ų83.571%0.7141%0.405SS*.Hα-helixtrans-58.5-44.4178.8-67.7167-17.100112.1P98 A103 E104P98-Q100 PolarHBondContact O-N 3.44Å; P98-Q100 VanDerWaalsContact O-N 3.11Å; Q100-A103 PolarHBondContact O-N 3.45Å; Q100-E104 WeakPolarHBondContact O-CG 3.44Å; Q100-E104 PolarHBondContact O-N 2.8Å; Q100-E104 VanDerWaalsContact O-N 3.09Å
101I92.4Very high88.5Confident38 Ų3887.4 Ų87.420%0.19543%0.432CS..Hα-helixtrans-65.8-43.9177.9-59.3-60.9000110.5L79 Y81 F97 P98 H99 A103 E104 L105L79-I101 HydrophobicContact CD2-CG2 3.73Å; Y81-I101 HydrophobicContact CD2-CD1 4.26Å; F97-I101 HydrophobicContact CB-CB 4.25Å; F97-I101 HydrophobicContact CB-CG2 4.14Å; F97-I101 HydrophobicContact CD1-CG2 3.95Å; F97-I101 HydrophobicContact CG-CG2 4.27Å; P98-I101 HydrophobicContact CB-CG1 4.48Å; P98-I101 PolarHBondContact O-N 2.98Å; H99-I101 VanDerWaalsContact C-N 3.35Å; H99-I101 PolarHBondContact O-N 3.1Å; I101-A103 VanDerWaalsContact C-N 3.3Å; I101-A103 PolarHBondContact O-N 3.01Å; I101-E104 PolarHBondContact O-N 3.31Å; I101-L105 HydrophobicContact CG2-CD1 4.02Å; I101-L105 HydrophobicContact CG2-CG 4.41Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.46Å
102R94.1Very high86.8Confident82 Ų8288 Ų8831%0.30944%0.443SS..Hα-helixtrans-59.9-41.7177.4-60.5-171.6-59.6-115.1-0.9111.7L94 D95 F97 P98 H99 L105 A106L94-R102 HydrophobicContact CD2-CB 4.5Å; L94-R102 HydrophobicContact CD2-CG 4.22Å; L94-R102 HydrophobicContact CG-CG 4.31Å; L94-R102 WeakPolarHBondContact O-CD 3.41Å; L94-R102 WeakPolarHBondContact O-CG 3.24Å; D95-R102 PolarHBondContact O-NH1 2.8Å; F97-R102 HydrophobicContact CB-CG 4.22Å; F97-R102 PolarHBondContact O-NH1 3.21Å; P98-R102 PolarHBondContact O-N 2.95Å; H99-R102 PolarHBondContact O-N 3.37Å; R102-L105 PolarHBondContact O-N 3.33Å; R102-A106 WeakPolarHBondContact O-CB 3.47Å; R102-A106 PolarHBondContact O-N 3.07Å
103A92.6Very high84.5Confident33 Ų3388.7 Ų88.727%0.27345%0.446SS..Hα-helixtrans-64.5-44.4178.100000112.3H99 Q100 I101 A106 K107H99-A103 WeakPolarHBondContact O-CB 3.25Å; H99-A103 PolarHBondContact O-N 2.83Å; Q100-A103 PolarHBondContact O-N 3.45Å; I101-A103 VanDerWaalsContact C-N 3.3Å; I101-A103 PolarHBondContact O-N 3.01Å; A103-A106 WeakPolarHBondContact O-CB 3.46Å; A103-A106 PolarHBondContact O-N 3.5Å; A103-K107 WeakPolarHBondContact O-CG 3.2Å; A103-K107 PolarHBondContact O-N 3.15Å; A103-K107 VanDerWaalsContact O-N 3.07Å
104E89.9Confident82.2Confident99 Ų9991.2 Ų91.246%0.46347%0.468SS..Hα-helixtrans-64.7-40.8177.2-72.1-57.1120.600112.5Q100 I101 A106 K107 K108Q100-E104 WeakPolarHBondContact O-CG 3.44Å; Q100-E104 PolarHBondContact O-N 2.8Å; Q100-E104 VanDerWaalsContact O-N 3.09Å; I101-E104 PolarHBondContact O-N 3.31Å; E104-A106 VanDerWaalsContact C-N 3.3Å; E104-A106 PolarHBondContact O-N 2.99Å; E104-K107 PolarHBondContact O-N 2.84Å; E104-K107 IonicContact OE1-NZ 3.9Å; E104-K107 PolarHBondContact OE1-NZ 3.18Å; E104-K108 PolarHBondContact O-N 3Å; E104-K108 VanDerWaalsContact O-N 3.12Å
105L91.1Very high79.9Confident19 Ų1992 Ų9210%0.09949%0.49CS..Hα-helixtrans-63.5-36174.3-69.5174000112.2L79 M87 V90 L94 I101 R102 K109L79-L105 HydrophobicContact CD2-CD1 4.32Å; M87-L105 HydrophobicContact CE-CD2 4.15Å; V90-L105 HydrophobicContact CG1-CD1 3.56Å; L94-L105 HydrophobicContact CD1-CD1 4.12Å; I101-L105 HydrophobicContact CG2-CD1 4.02Å; I101-L105 HydrophobicContact CG2-CG 4.41Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.46Å; R102-L105 PolarHBondContact O-N 3.33Å; L105-K109 PolarHBondContact O-N 2.83Å
106A89.2Confident77.5Confident48 Ų4893.1 Ų93.140%0.39750%0.5SS..Hα-helixtrans-66.9-42.2176.400000112.3R102 A103 E104 K108 K109 Q110R102-A106 WeakPolarHBondContact O-CB 3.47Å; R102-A106 PolarHBondContact O-N 3.07Å; A103-A106 WeakPolarHBondContact O-CB 3.46Å; A103-A106 PolarHBondContact O-N 3.5Å; E104-A106 VanDerWaalsContact C-N 3.3Å; E104-A106 PolarHBondContact O-N 2.99Å; A106-K108 PolarHBondContact O-N 3.09Å; A106-K109 PolarHBondContact O-N 2.95Å; A106-Q110 PolarHBondContact O-N 3.22Å
107K86.4Confident74.7Confident118 Ų11895.6 Ų95.651%0.51353%0.533SS..Hα-helixtrans-60.6-44.5175.4-68.9174.4-172.9168.90111.8A103 E104 K109 Q110 S111A103-K107 WeakPolarHBondContact O-CG 3.2Å; A103-K107 PolarHBondContact O-N 3.15Å; A103-K107 VanDerWaalsContact O-N 3.07Å; E104-K107 PolarHBondContact O-N 2.84Å; E104-K107 IonicContact OE1-NZ 3.9Å; E104-K107 PolarHBondContact OE1-NZ 3.18Å; K107-K109 VanDerWaalsContact C-N 3.3Å; K107-K109 PolarHBondContact O-N 3.43Å; K107-Q110 WeakPolarHBondContact O-CB 3.37Å; K107-Q110 PolarHBondContact O-N 3.35Å; K107-S111 PolarHBondContact O-N 3.1Å
108K80.4Confident73.8Confident123 Ų12399.5 Ų99.554%0.53556%0.555SS.*Hα-helixtrans-59.3-37.5177.6-83.5-175.5168-174.80113.5E104 A106 Q110 S111 S112E104-K108 PolarHBondContact O-N 3Å; E104-K108 VanDerWaalsContact O-N 3.12Å; A106-K108 PolarHBondContact O-N 3.09Å; K108-Q110 PolarHBondContact O-N 3.24Å; K108-S111 PolarHBondContact O-N 2.91Å; K108-S111 PolarHBondContact O-OG 3.07Å; K108-S112 PolarHBondContact O-N 2.96Å; K108-S112 PolarHBondContact O-OG 2.82Å
109K74.4Confident72.7Confident111 Ų111102.1 Ų102.148%0.48357%0.568SS.*Hα-helixtrans-66-22.1175.8-73.4-178.1-178.8-176.60113.3N91 L105 A106 K107 S112N91-K109 PolarHBondContact OD1-NZ 3.23Å; L105-K109 PolarHBondContact O-N 2.83Å; A106-K109 PolarHBondContact O-N 2.95Å; K107-K109 VanDerWaalsContact C-N 3.3Å; K107-K109 PolarHBondContact O-N 3.43Å; K109-S112 PolarHBondContact O-OG 3.24Å
110Q61.7Low71.5Confident137 Ų137100.3 Ų100.364%0.6457%0.565SS**Hα-helixtrans-85.1-40178.5-65.5173.50.300111.2A106 K107 K108 S112 K113A106-Q110 PolarHBondContact O-N 3.22Å; K107-Q110 WeakPolarHBondContact O-CB 3.37Å; K107-Q110 PolarHBondContact O-N 3.35Å; K108-Q110 PolarHBondContact O-N 3.24Å; Q110-S112 VanDerWaalsContact C-N 3.34Å; Q110-S112 PolarHBondContact O-N 3.4Å; Q110-K113 PolarHBondContact O-N 3.28Å
111S61.1Low70.2Confident82 Ų8297.2 Ų97.257%0.57356%0.556SS**Hα-helixtrans-67.4-29.7-179.852.20000114.1K107 K108 K113 S114K107-S111 PolarHBondContact O-N 3.1Å; K108-S111 PolarHBondContact O-N 2.91Å; K108-S111 PolarHBondContact O-OG 3.07Å; S111-K113 VanDerWaalsContact C-N 3.26Å; S111-K113 PolarHBondContact O-N 3.32Å; S111-S114 PolarHBondContact O-N 3.49Å
112S58.3Low68.8Low90 Ų90100.9 Ų100.963%0.62958%0.579SS**THydrogen-bonded Turntrans-73.6-13.1177.855.60000114.2K108 K109 Q110K108-S112 PolarHBondContact O-N 2.96Å; K108-S112 PolarHBondContact O-OG 2.82Å; K109-S112 PolarHBondContact O-OG 3.24Å; Q110-S112 VanDerWaalsContact C-N 3.34Å; Q110-S112 PolarHBondContact O-N 3.4Å
113K49.9Very low67.1Low178 Ų178102.2 Ų102.277%0.77460%0.597SS**THydrogen-bonded Turntrans-87.1-11176.4-73.1-174.7176.4-176.90114.1Q110 S111Q110-K113 PolarHBondContact O-N 3.28Å; S111-K113 VanDerWaalsContact C-N 3.26Å; S111-K113 PolarHBondContact O-N 3.32Å
114S46.3Very low65.3Low101 Ų101107.1 Ų107.171%0.70662%0.62SS**SBendtrans-973.4-176.9-58.40000114.1S111S111-S114 PolarHBondContact O-N 3.49Å
115G46.9Very low63.4Low70 Ų70107.8 Ų107.872%0.72263%0.632SS**SBendtrans-102.69-17800000115.7
116V43.7Very low61.1Low133 Ų133115.2 Ų115.281%0.80668%0.676SS**  trans-116.495.1167.61690000107.2
117S35.3Very low58.6Low191 Ų191121.3 Ų121.3100%1.33670%0.702SS**  trans-149.80160.9-690000107.4

Retrieved 117 of 117 residues in 86.9 ms (Link to these results)

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