A0A077Z548_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z548, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M50Low71.6Confident70 Ų7064 Ų6435%0.34533%0.334SS..  0-67.60-97.345.6173.400113.3L3 Y4 I5 F74M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.2Å; M1-Y4 WeakPolarHBondContact O-CB 3.36Å; M1-Y4 PolarHBondContact O-N 3.19Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.05Å; M1-I5 VanDerWaalsContact O-N 3.08Å; M1-F74 HydrophobicContact CE-CE1 3.63Å; M1-F74 HydrophobicContact CE-CE2 4.43Å; M1-F74 HydrophobicContact CE-CZ 3.53Å
2A60.6Low72.9Confident71 Ų7167.1 Ų67.159%0.58735%0.351SS*.Hα-helixtrans-53.2-43.3-177.500000114.1Y4 I5 V6A2-Y4 PolarHBondContact O-N 2.78Å; A2-I5 WeakPolarHBondContact O-CB 3.25Å; A2-I5 PolarHBondContact O-N 2.84Å; A2-V6 WeakPolarHBondContact O-CG2 3.24Å; A2-V6 PolarHBondContact O-N 3.32Å
3L68.6Low73.7Confident113 Ų11371.3 Ų71.359%0.59237%0.374SS*.Hα-helixtrans-64.7-35.3177.4-76.2160.7000114M1 R7 F78M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.2Å; L3-R7 WeakPolarHBondContact O-CB 3.39Å; L3-R7 VanDerWaalsContact O-CG 3.31Å; L3-R7 WeakPolarHBondContact O-CG 3.47Å; L3-R7 PolarHBondContact O-N 2.87Å; L3-R7 VanDerWaalsContact O-N 3.11Å; L3-F78 HydrophobicContact CD1-CZ 4.37Å
4Y66.6Low74.7Confident59 Ų5972.4 Ų72.423%0.23138%0.376CS..Hα-helixtrans-67.3-42.3175.3174.1-94.7000110.4M1 A2 V6 R7 Y8 W52 D55 F56M1-Y4 WeakPolarHBondContact O-CB 3.36Å; M1-Y4 PolarHBondContact O-N 3.19Å; A2-Y4 PolarHBondContact O-N 2.78Å; Y4-V6 PolarHBondContact O-N 2.85Å; Y4-R7 PolarHBondContact O-N 3.28Å; Y4-Y8 WeakPolarHBondContact O-CB 3.46Å; Y4-Y8 PolarHBondContact O-N 3.05Å; Y4-W52 WeakPolarHBondContact CE1-O 3.38Å; Y4-D55 PolarHBondContact OH-O 3.04Å; Y4-F56 HydrophobicContact CE2-CD1 4.39Å; Y4-F56 WeakPolarHBondContact OH-CA 3.36Å; Y4-F56 PolarHBondContact OH-O 3.05Å
5I68.6Low75.3Confident54 Ų5478.1 Ų78.128%0.27740%0.4SS..Hα-helixtrans-61.2-46.6179.2-63.2164.9000110.9M1 A2 Y8 L9 W52M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.05Å; M1-I5 VanDerWaalsContact O-N 3.08Å; A2-I5 WeakPolarHBondContact O-CB 3.25Å; A2-I5 PolarHBondContact O-N 2.84Å; I5-Y8 PolarHBondContact O-N 2.9Å; I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 PolarHBondContact O-N 3.06Å; I5-W52 HydrophobicContact CD1-CE3 3.98Å; I5-W52 HydrophobicContact CD1-CZ3 3.91Å; I5-W52 HydrophobicContact CG1-CE3 4.02Å; I5-W52 HydrophobicContact CG1-CZ3 4.45Å
6V75Confident76Confident43 Ų4382.6 Ų82.626%0.26142%0.416SS..Hα-helixtrans-59-54.6176.4174.20000109.2A2 Y4 Y8 L9 D10 E15 V17A2-V6 WeakPolarHBondContact O-CG2 3.24Å; A2-V6 PolarHBondContact O-N 3.32Å; Y4-V6 PolarHBondContact O-N 2.85Å; V6-Y8 VanDerWaalsContact C-N 3.29Å; V6-Y8 PolarHBondContact O-N 2.91Å; V6-L9 PolarHBondContact O-N 3.02Å; V6-L9 VanDerWaalsContact O-N 3.17Å; V6-D10 HydrophobicContact CG1-CB 4.26Å; V6-D10 WeakPolarHBondContact O-CA 3.23Å; V6-D10 WeakPolarHBondContact O-CB 3.26Å; V6-D10 PolarHBondContact O-N 3.33Å; V6-E15 WeakPolarHBondContact CG1-O 3.47Å; V6-V17 HydrophobicContact CG1-CG2 4.36Å
7R77.9Confident76.4Confident157 Ų15781 Ų8159%0.59241%0.411SS*.Hα-helixtrans-58.9-33.4-179.5-72.5177.4177.5-147.9-3.6114.9L3 Y4L3-R7 WeakPolarHBondContact O-CB 3.39Å; L3-R7 VanDerWaalsContact O-CG 3.31Å; L3-R7 WeakPolarHBondContact O-CG 3.47Å; L3-R7 PolarHBondContact O-N 2.87Å; L3-R7 VanDerWaalsContact O-N 3.11Å; Y4-R7 PolarHBondContact O-N 3.28Å
8Y75.8Confident77.2Confident38 Ų3878.9 Ų78.915%0.14941%0.405CS..Hα-helixtrans-68.9-39.6179.3177.6-98.1000112.3Y4 I5 V6 K25 R46Y4-Y8 WeakPolarHBondContact O-CB 3.46Å; Y4-Y8 PolarHBondContact O-N 3.05Å; I5-Y8 PolarHBondContact O-N 2.9Å; V6-Y8 VanDerWaalsContact C-N 3.29Å; V6-Y8 PolarHBondContact O-N 2.91Å; Y8-K25 WeakPolarHBondContact O-CE 3.15Å; Y8-K25 PolarHBondContact O-NZ 2.68Å; Y8-R46 PolarHBondContact OH-NH1 3.43Å; Y8-R46 VanDerWaalsContact OH-NH1 3.07Å; Y8-R46 PolarHBondContact OH-NH2 3.15Å; Y8-R46 VanDerWaalsContact OH-NH2 3.1Å
9L81.4Confident77.8Confident23 Ų2381.3 Ų81.312%0.1242%0.418CS..Hα-helixtrans-89.2-40-175.4-66172.3000112.4I5 V6 S11 V17 Y22 K25I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 PolarHBondContact O-N 3.06Å; V6-L9 PolarHBondContact O-N 3.02Å; V6-L9 VanDerWaalsContact O-N 3.17Å; L9-S11 PolarHBondContact O-N 3.27Å; L9-S11 PolarHBondContact O-OG 3.48Å; L9-S11 VanDerWaalsContact O-OG 3.07Å; L9-V17 HydrophobicContact CB-CB 4.34Å; L9-V17 HydrophobicContact CB-CG1 3.64Å; L9-V17 HydrophobicContact CB-CG2 3.69Å; L9-V17 HydrophobicContact CD1-CG1 4.13Å; L9-V17 HydrophobicContact CD1-CG2 4.41Å; L9-V17 HydrophobicContact CG-CG1 4.48Å; L9-Y22 HydrophobicContact CD1-CD2 4.15Å; L9-Y22 HydrophobicContact CD2-CD2 4.15Å; L9-K25 HydrophobicContact CD2-CB 4.16Å; L9-K25 HydrophobicContact CD2-CG 4.5Å
10D83.6Confident78.4Confident9 Ų979.8 Ų79.85%0.04842%0.415CS..  trans-63.598.4177.2-177.711.9000109.7V6 N13 H14 E15 K16 V17V6-D10 HydrophobicContact CG1-CB 4.26Å; V6-D10 WeakPolarHBondContact O-CA 3.23Å; V6-D10 WeakPolarHBondContact O-CB 3.26Å; V6-D10 PolarHBondContact O-N 3.33Å; D10-N13 WeakPolarHBondContact OD1-CA 3.47Å; D10-N13 PolarHBondContact OD1-N 3.12Å; D10-N13 VanDerWaalsContact OD2-C 3.26Å; D10-N13 VanDerWaalsContact OD2-CA 3.26Å; D10-N13 WeakPolarHBondContact OD2-CA 3.36Å; D10-H14 IonicContact OD1-CE1 3.92Å; D10-H14 IonicContact OD1-CG 3.81Å; D10-H14 PolarHBondContact OD1-N 3.22Å; D10-H14 IonicContact OD1-ND1 3.32Å; D10-H14 PolarHBondContact OD1-ND1 3.04Å; D10-H14 PolarHBondContact OD2-N 2.89Å; D10-H14 IonicContact OD2-ND1 2.87Å; D10-E15 VanDerWaalsContact OD2-CA 3.23Å; D10-E15 WeakPolarHBondContact OD2-CA 3.41Å; D10-E15 PolarHBondContact OD2-N 3.08Å; D10-K16 VanDerWaalsContact CB-O 3.24Å; D10-K16 WeakPolarHBondContact CB-O 3.32Å; D10-V17 HydrophobicContact CB-CG2 4.35Å
11S80.1Confident78.8Confident67 Ų6776 Ų7647%0.46940%0.396SS..SBendtrans-88-20.4-172.2-58.30000111.8L9 E21 K25L9-S11 PolarHBondContact O-N 3.27Å; L9-S11 PolarHBondContact O-OG 3.48Å; L9-S11 VanDerWaalsContact O-OG 3.07Å; S11-E21 PolarHBondContact N-OE1 3.21Å; S11-K25 WeakPolarHBondContact OG-CE 3.41Å
12D86.7Confident80.5Confident101 Ų10177.8 Ų77.854%0.5440%0.399SS..SBendtrans-100.9-117665.616.7000113.5H14D12-H14 VanDerWaalsContact C-N 3.34Å; D12-H14 PolarHBondContact O-N 3.43Å; D12-H14 WeakPolarHBondContact OD1-CB 3.49Å; D12-H14 IonicContact OD1-CD2 3.5Å; D12-H14 IonicContact OD1-CE1 3.53Å; D12-H14 PolarHBondContact OD1-CE1 3.25Å; D12-H14 IonicContact OD1-CG 3.88Å; D12-H14 PolarHBondContact OD1-N 3.13Å; D12-H14 IonicContact OD1-ND1 2.85Å; D12-H14 PolarHBondContact OD1-ND1 3.27Å; D12-H14 IonicContact OD1-NE2 3.55Å; D12-H14 IonicContact OD2-CD2 3.75Å; D12-H14 IonicContact OD2-NE2 3.78Å
13N82.7Confident81.8Confident122 Ų12279.7 Ų79.765%0.65240%0.396SS*.  trans63.136174.2-166.161.5000113D10D10-N13 WeakPolarHBondContact OD1-CA 3.47Å; D10-N13 PolarHBondContact OD1-N 3.12Å; D10-N13 VanDerWaalsContact OD2-C 3.26Å; D10-N13 VanDerWaalsContact OD2-CA 3.26Å; D10-N13 WeakPolarHBondContact OD2-CA 3.36Å
14H87.7Confident82.7Confident86 Ų8681.1 Ų81.140%0.39839%0.393SS..SBendtrans-91.612.2177.175.7-23.1000115.2D10 D12 K16 E21D10-H14 IonicContact OD1-CE1 3.92Å; D10-H14 IonicContact OD1-CG 3.81Å; D10-H14 PolarHBondContact OD1-N 3.22Å; D10-H14 IonicContact OD1-ND1 3.32Å; D10-H14 PolarHBondContact OD1-ND1 3.04Å; D10-H14 PolarHBondContact OD2-N 2.89Å; D10-H14 IonicContact OD2-ND1 2.87Å; D12-H14 VanDerWaalsContact C-N 3.34Å; D12-H14 PolarHBondContact O-N 3.43Å; D12-H14 WeakPolarHBondContact OD1-CB 3.49Å; D12-H14 IonicContact OD1-CD2 3.5Å; D12-H14 IonicContact OD1-CE1 3.53Å; D12-H14 PolarHBondContact OD1-CE1 3.25Å; D12-H14 IonicContact OD1-CG 3.88Å; D12-H14 PolarHBondContact OD1-N 3.13Å; D12-H14 IonicContact OD1-ND1 2.85Å; D12-H14 PolarHBondContact OD1-ND1 3.27Å; D12-H14 IonicContact OD1-NE2 3.55Å; D12-H14 IonicContact OD2-CD2 3.75Å; D12-H14 IonicContact OD2-NE2 3.78Å; H14-K16 PolarHBondContact CE1-O 3.45Å; H14-K16 PolarHBondContact ND1-N 3.42Å; H14-K16 PolarHBondContact ND1-O 3.2Å; H14-K16 PolarHBondContact O-N 3.48Å; H14-E21 IonicContact CE1-OE2 3.21Å
15E84.1Confident83.5Confident158 Ų15881.7 Ų81.774%0.73840%0.397SS*.SBendtrans60.417.7-177.7-54-172.5162.800114.8V6 D10V6-E15 WeakPolarHBondContact CG1-O 3.47Å; D10-E15 VanDerWaalsContact OD2-CA 3.23Å; D10-E15 WeakPolarHBondContact OD2-CA 3.41Å; D10-E15 PolarHBondContact OD2-N 3.08Å
16K85.9Confident84.2Confident150 Ų15081 Ų8165%0.65239%0.393SS*.  trans-129.1167.4175.5-66-179.2-176.4178.20109.2D10 H14D10-K16 VanDerWaalsContact CB-O 3.24Å; D10-K16 WeakPolarHBondContact CB-O 3.32Å; H14-K16 PolarHBondContact CE1-O 3.45Å; H14-K16 PolarHBondContact ND1-N 3.42Å; H14-K16 PolarHBondContact ND1-O 3.2Å; H14-K16 PolarHBondContact O-N 3.48Å
17V83.8Confident84.7Confident56 Ų5680.9 Ų80.934%0.33940%0.397SS..  trans-130.1114.9175.3-178.10000107.6V6 L9 D10V6-V17 HydrophobicContact CG1-CG2 4.36Å; L9-V17 HydrophobicContact CB-CB 4.34Å; L9-V17 HydrophobicContact CB-CG1 3.64Å; L9-V17 HydrophobicContact CB-CG2 3.69Å; L9-V17 HydrophobicContact CD1-CG1 4.13Å; L9-V17 HydrophobicContact CD1-CG2 4.41Å; L9-V17 HydrophobicContact CG-CG1 4.48Å; D10-V17 HydrophobicContact CB-CG2 4.35Å
18S89.9Confident84.9Confident44 Ų4475.4 Ų75.431%0.30839%0.386SS..  trans-78.1154.7169.969.80000110.8S20 E21 Y22S18-S20 PolarHBondContact O-N 3.07Å; S18-S20 PolarHBondContact OG-OG 3.02Å; S18-S20 VanDerWaalsContact OG-OG 3.05Å; S18-E21 WeakPolarHBondContact CB-OE2 3.22Å; S18-E21 PolarHBondContact N-OE2 3.01Å; S18-E21 PolarHBondContact O-N 2.9Å; S18-E21 VanDerWaalsContact O-N 3.13Å; S18-E21 VanDerWaalsContact OG-CG 3.25Å; S18-E21 WeakPolarHBondContact OG-CG 3.49Å; S18-E21 PolarHBondContact OG-N 3.45Å; S18-E21 PolarHBondContact OG-OE2 2.97Å; S18-Y22 PolarHBondContact O-N 2.88Å; S18-Y22 VanDerWaalsContact O-N 3.12Å
19L88.5Confident85Confident124 Ų12473.8 Ų73.865%0.64938%0.38SS*.Hα-helixtrans-54.4-39172.6178.161.2000111.3E21 Y22 E23L19-E21 PolarHBondContact O-N 2.83Å; L19-Y22 WeakPolarHBondContact O-CB 3.3Å; L19-Y22 PolarHBondContact O-N 3.31Å; L19-E23 HydrophobicContact CD1-CG 4.15Å; L19-E23 HydrophobicContact CG-CG 4.36Å; L19-E23 WeakPolarHBondContact O-CG 2.95Å; L19-E23 PolarHBondContact O-N 2.79Å
20S91.3Very high84.9Confident50 Ų5076 Ų7635%0.3539%0.391SS..Hα-helixtrans-65.2-36.3-179.8800000113.1S18 R24S18-S20 PolarHBondContact O-N 3.07Å; S18-S20 PolarHBondContact OG-OG 3.02Å; S18-S20 VanDerWaalsContact OG-OG 3.05Å; S20-R24 WeakPolarHBondContact O-CB 3.31Å; S20-R24 WeakPolarHBondContact O-CG 3.49Å; S20-R24 PolarHBondContact O-N 3.02Å; S20-R24 PolarHBondContact OG-NH1 2.83Å; S20-R24 PolarHBondContact OG-NH2 3.17Å
21E86.1Confident84.8Confident2 Ų283.5 Ų83.51%0.00942%0.419CS..Hα-helixtrans-69.7-43.8176-73.3168.9111.600111.3S11 H14 S18 L19 R24 K25S11-E21 PolarHBondContact N-OE1 3.21Å; H14-E21 IonicContact CE1-OE2 3.21Å; S18-E21 WeakPolarHBondContact CB-OE2 3.22Å; S18-E21 PolarHBondContact N-OE2 3.01Å; S18-E21 PolarHBondContact O-N 2.9Å; S18-E21 VanDerWaalsContact O-N 3.13Å; S18-E21 VanDerWaalsContact OG-CG 3.25Å; S18-E21 WeakPolarHBondContact OG-CG 3.49Å; S18-E21 PolarHBondContact OG-N 3.45Å; S18-E21 PolarHBondContact OG-OE2 2.97Å; L19-E21 PolarHBondContact O-N 2.83Å; E21-R24 PolarHBondContact O-N 3.36Å; E21-K25 WeakPolarHBondContact O-CB 3.4Å; E21-K25 WeakPolarHBondContact O-CG 3.17Å; E21-K25 PolarHBondContact O-N 3.46Å
22Y85.2Confident84.4Confident106 Ų10683 Ų8342%0.41641%0.411SS..Hα-helixtrans-55.5-54.3173.5176.2-95.1000110.9L9 S18 L19 R24 K25 I26L9-Y22 HydrophobicContact CD1-CD2 4.15Å; L9-Y22 HydrophobicContact CD2-CD2 4.15Å; S18-Y22 PolarHBondContact O-N 2.88Å; S18-Y22 VanDerWaalsContact O-N 3.12Å; L19-Y22 WeakPolarHBondContact O-CB 3.3Å; L19-Y22 PolarHBondContact O-N 3.31Å; Y22-R24 PolarHBondContact O-N 3.11Å; Y22-K25 PolarHBondContact O-N 3.32Å; Y22-I26 HydrophobicContact CD1-CG1 4.31Å; Y22-I26 HydrophobicContact CD2-CG1 4.26Å; Y22-I26 HydrophobicContact CE1-CG1 3.95Å; Y22-I26 HydrophobicContact CE2-CD1 4.18Å; Y22-I26 HydrophobicContact CE2-CG1 3.9Å; Y22-I26 HydrophobicContact CG-CG1 4.46Å; Y22-I26 VanDerWaalsContact O-CG1 3.3Å; Y22-I26 WeakPolarHBondContact O-CG1 3.21Å; Y22-I26 PolarHBondContact O-N 3.17Å
23E87.8Confident83.7Confident112 Ų11279.4 Ų79.452%0.52339%0.391SS..Hα-helixtrans-59.8-43.6179.7-73177.6159.800112.2L19 K25 I26 A27L19-E23 HydrophobicContact CD1-CG 4.15Å; L19-E23 HydrophobicContact CG-CG 4.36Å; L19-E23 WeakPolarHBondContact O-CG 2.95Å; L19-E23 PolarHBondContact O-N 2.79Å; E23-K25 PolarHBondContact O-N 3.41Å; E23-I26 PolarHBondContact O-N 3.02Å; E23-A27 WeakPolarHBondContact O-CB 3.36Å; E23-A27 PolarHBondContact O-N 3.24Å
24R87Confident83.2Confident142 Ų14279.8 Ų79.854%0.53639%0.389SS..Hα-helixtrans-60.8-45.8176.7-78.4-170.2-59.1-96.15.1111.8S20 E21 Y22 A28S20-R24 WeakPolarHBondContact O-CB 3.31Å; S20-R24 WeakPolarHBondContact O-CG 3.49Å; S20-R24 PolarHBondContact O-N 3.02Å; S20-R24 PolarHBondContact OG-NH1 2.83Å; S20-R24 PolarHBondContact OG-NH2 3.17Å; E21-R24 PolarHBondContact O-N 3.36Å; Y22-R24 PolarHBondContact O-N 3.11Å; R24-A28 WeakPolarHBondContact O-CB 3.38Å; R24-A28 PolarHBondContact O-N 3.45Å
25K83.7Confident82.6Confident72 Ų7281.5 Ų81.531%0.31340%0.397SS..Hα-helixtrans-64.9-44179.8-77.7-83.1179.7148.80111.6Y8 L9 S11 E21 Y22 E23 A29Y8-K25 WeakPolarHBondContact O-CE 3.15Å; Y8-K25 PolarHBondContact O-NZ 2.68Å; L9-K25 HydrophobicContact CD2-CB 4.16Å; L9-K25 HydrophobicContact CD2-CG 4.5Å; S11-K25 WeakPolarHBondContact OG-CE 3.41Å; E21-K25 WeakPolarHBondContact O-CB 3.4Å; E21-K25 WeakPolarHBondContact O-CG 3.17Å; E21-K25 PolarHBondContact O-N 3.46Å; Y22-K25 PolarHBondContact O-N 3.32Å; E23-K25 PolarHBondContact O-N 3.41Å; K25-A29 WeakPolarHBondContact O-CB 2.97Å; K25-A29 PolarHBondContact O-N 3Å
26I83.5Confident81.7Confident38 Ų3880.1 Ų80.120%0.19539%0.385CS..Hα-helixtrans-66.9-46.8177.7-63.1-58000111.1Y22 E23 A28 A29 I30Y22-I26 HydrophobicContact CD1-CG1 4.31Å; Y22-I26 HydrophobicContact CD2-CG1 4.26Å; Y22-I26 HydrophobicContact CE1-CG1 3.95Å; Y22-I26 HydrophobicContact CE2-CD1 4.18Å; Y22-I26 HydrophobicContact CE2-CG1 3.9Å; Y22-I26 HydrophobicContact CG-CG1 4.46Å; Y22-I26 VanDerWaalsContact O-CG1 3.3Å; Y22-I26 WeakPolarHBondContact O-CG1 3.21Å; Y22-I26 PolarHBondContact O-N 3.17Å; E23-I26 PolarHBondContact O-N 3.02Å; I26-A28 VanDerWaalsContact C-N 3.35Å; I26-A28 PolarHBondContact O-N 3.5Å; I26-A29 WeakPolarHBondContact O-CB 3.45Å; I26-A29 PolarHBondContact O-N 2.92Å; I26-A29 VanDerWaalsContact O-N 3.15Å; I26-I30 HydrophobicContact CG2-CD1 3.87Å; I26-I30 HydrophobicContact CG2-CG1 4.46Å; I26-I30 WeakPolarHBondContact O-CG1 3.18Å; I26-I30 PolarHBondContact O-N 3.23Å
27A85Confident80.5Confident41 Ų4182.7 Ų82.734%0.33939%0.391SS..Hα-helixtrans-61.4-42177.700000112.1E23 A29 I30 R31E23-A27 WeakPolarHBondContact O-CB 3.36Å; E23-A27 PolarHBondContact O-N 3.24Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-I30 PolarHBondContact O-N 2.85Å; A27-R31 WeakPolarHBondContact O-CG 3.32Å; A27-R31 PolarHBondContact O-N 3.39Å
28A83Confident79.3Confident43 Ų4389.5 Ų89.536%0.35542%0.416SS..Hα-helixtrans-62.9-40.6174.200000111.8R24 I26 L32R24-A28 WeakPolarHBondContact O-CB 3.38Å; R24-A28 PolarHBondContact O-N 3.45Å; I26-A28 VanDerWaalsContact C-N 3.35Å; I26-A28 PolarHBondContact O-N 3.5Å; A28-L32 WeakPolarHBondContact O-CD1 3.28Å; A28-L32 PolarHBondContact O-N 2.88Å
29A78.2Confident77.9Confident3 Ų390 Ų903%0.02542%0.419CS..Hα-helixtrans-63.3-43.6176.400000112.1K25 I26 A27 I33 P48K25-A29 WeakPolarHBondContact O-CB 2.97Å; K25-A29 PolarHBondContact O-N 3Å; I26-A29 WeakPolarHBondContact O-CB 3.45Å; I26-A29 PolarHBondContact O-N 2.92Å; I26-A29 VanDerWaalsContact O-N 3.15Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A29-I33 WeakPolarHBondContact O-CB 3.45Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.17Å; A29-I33 VanDerWaalsContact O-N 3.11Å; A29-P48 HydrophobicContact CB-CB 4.49Å
30I80Confident76.6Confident70 Ų7096.5 Ų96.536%0.35944%0.435SS..Hα-helixtrans-61.6-53177.9-68.6166.7000110.7I26 A27 L32 I33 E34 P48I26-I30 HydrophobicContact CG2-CD1 3.87Å; I26-I30 HydrophobicContact CG2-CG1 4.46Å; I26-I30 WeakPolarHBondContact O-CG1 3.18Å; I26-I30 PolarHBondContact O-N 3.23Å; A27-I30 PolarHBondContact O-N 2.85Å; I30-L32 VanDerWaalsContact C-N 3.31Å; I30-L32 PolarHBondContact O-N 2.91Å; I30-I33 WeakPolarHBondContact O-CB 3.44Å; I30-I33 PolarHBondContact O-N 2.91Å; I30-I33 VanDerWaalsContact O-N 3.16Å; I30-E34 PolarHBondContact O-N 3.37Å; I30-E34 VanDerWaalsContact O-N 3.09Å; I30-P48 HydrophobicContact CG1-CB 4.12Å; I30-P48 HydrophobicContact CG1-CG 4.02Å
31R81.4Confident75.2Confident167 Ų16796.8 Ų96.863%0.6344%0.435SS*.Hα-helixtrans-56.4-43.9-178.1-72.6177.2-179.3178.51.2112.3A27 E34 E35A27-R31 WeakPolarHBondContact O-CG 3.32Å; A27-R31 PolarHBondContact O-N 3.39Å; R31-E34 WeakPolarHBondContact O-CB 3.44Å; R31-E34 PolarHBondContact O-N 2.75Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 3.44Å
32L71.4Confident74.1Confident57 Ų57102.2 Ų102.230%0.29847%0.473SS..Hα-helixtrans-75.5-27.2-177.9-76.8155.1000113.3A28 I30 E34 E35 R36A28-L32 WeakPolarHBondContact O-CD1 3.28Å; A28-L32 PolarHBondContact O-N 2.88Å; I30-L32 VanDerWaalsContact C-N 3.31Å; I30-L32 PolarHBondContact O-N 2.91Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E35 WeakPolarHBondContact CD2-OE2 3.36Å; L32-E35 PolarHBondContact O-N 2.68Å; L32-R36 WeakPolarHBondContact O-CB 3.45Å; L32-R36 PolarHBondContact O-N 2.59Å
33I71.2Confident73.2Confident25 Ų2599 Ų9913%0.12847%0.472CS..Hα-helixtrans-63.7-42.2169.3-87.9163000110.7A29 I30 E35 R37 P48A29-I33 WeakPolarHBondContact O-CB 3.45Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.17Å; A29-I33 VanDerWaalsContact O-N 3.11Å; I30-I33 WeakPolarHBondContact O-CB 3.44Å; I30-I33 PolarHBondContact O-N 2.91Å; I30-I33 VanDerWaalsContact O-N 3.16Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-R37 PolarHBondContact O-N 3.11Å; I33-P48 HydrophobicContact CD1-CG 3.6Å
34E73.4Confident72.3Confident130 Ų130103.9 Ų103.961%0.60749%0.486SS*.Hα-helixtrans-63.7-40.6175.3-66.6176160.700111.5I30 R31 L32I30-E34 PolarHBondContact O-N 3.37Å; I30-E34 VanDerWaalsContact O-N 3.09Å; R31-E34 WeakPolarHBondContact O-CB 3.44Å; R31-E34 PolarHBondContact O-N 2.75Å; L32-E34 VanDerWaalsContact C-N 3.34Å
35E74.5Confident71.4Confident122 Ų122100.8 Ų100.857%0.5748%0.477SS*.Hα-helixtrans-67.6-43.6178.1-71.3172.6-163.100113.1R31 L32 I33 R37R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 3.44Å; L32-E35 WeakPolarHBondContact CD2-OE2 3.36Å; L32-E35 PolarHBondContact O-N 2.68Å; I33-E35 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.12Å
36R65.3Low70.8Confident129 Ų12998.3 Ų98.349%0.48747%0.466SS..Hα-helixtrans-83.6-1.8-175.6-86.4-159.2-175.3-160.94.9115.8L32 K38 S39L32-R36 WeakPolarHBondContact O-CB 3.45Å; L32-R36 PolarHBondContact O-N 2.59Å; R36-K38 PolarHBondContact O-N 2.85Å; R36-S39 PolarHBondContact O-N 2.81Å; R36-S39 PolarHBondContact O-OG 2.77Å
37R60Low70Confident203 Ų203100.7 Ų100.777%0.76648%0.479SS*.THydrogen-bonded Turntrans-50.5-17.5164.8-85.5-175.5166.1-171.5-2113I33 E35I33-R37 PolarHBondContact O-N 3.11Å; E35-R37 PolarHBondContact O-N 3.12Å
38K59.9Low69.2Low199 Ų199100.1 Ų100.187%0.86547%0.472SS*.THydrogen-bonded Turntrans-85.1-12.1176-60.6178.3-178.2175.60115.3R36R36-K38 PolarHBondContact O-N 2.85Å
39S59.2Low68.4Low54 Ų54101.4 Ų101.438%0.37848%0.478SS..SBendtrans-105.6138.3-173.665.90000112.5R36 V41R36-S39 PolarHBondContact O-N 2.81Å; R36-S39 PolarHBondContact O-OG 2.77Å; S39-V41 PolarHBondContact O-N 3.41Å
40R61.3Low67.8Low261 Ų261104.7 Ų104.799%0.98550%0.498SS*.  trans-84.847.6-176.9-152.6-179.6-169.8179.22.6111.7S42R40-S42 PolarHBondContact O-N 3.09Å
41V62.1Low66.7Low57 Ų57101.6 Ų101.635%0.34548%0.483SS..  trans-68.1131.9176.9-178.20000108.6S39 F61S39-V41 PolarHBondContact O-N 3.41Å; V41-F61 HydrophobicContact CB-CD1 4.4Å; V41-F61 HydrophobicContact CB-CE1 4.07Å; V41-F61 HydrophobicContact CB-CE2 4.28Å; V41-F61 HydrophobicContact CB-CZ 4.01Å; V41-F61 HydrophobicContact CG1-CD1 4.01Å; V41-F61 HydrophobicContact CG1-CD2 4.02Å; V41-F61 HydrophobicContact CG1-CE1 4.18Å; V41-F61 HydrophobicContact CG1-CE2 4.2Å; V41-F61 HydrophobicContact CG1-CG 3.93Å; V41-F61 HydrophobicContact CG1-CZ 4.28Å; V41-F61 HydrophobicContact CG2-CE2 4.4Å; V41-F61 HydrophobicContact CG2-CZ 4.4Å
42S62.5Low65.9Low115 Ų11598.1 Ų98.180%0.80447%0.47SS*.SBendtrans-79.8118.6174.8177.60000109.3R40R40-S42 PolarHBondContact O-N 3.09Å
43G66Low65.7Low39 Ų3998.6 Ų98.640%0.40247%0.472SS..SBendtrans150.8166.9-179.600000111.3
44R69.6Low65.8Low214 Ų21499.8 Ų99.881%0.80848%0.479SS*.EExtended strand (participates in β ladder)trans-85.8124.4172.2-166.1157.576.4145.92.4108.6R46 V62R44-R46 PolarHBondContact O-N 2.92Å; R44-V62 PolarHBondContact N-O 3.29Å; R44-V62 PolarHBondContact O-N 2.84Å
45Q68Low65.9Low77 Ų7793.6 Ų93.636%0.3645%0.45SS..EExtended strand (participates in β ladder)trans-58.8123.8170.2-177.7166.140.900108.7F61Q45-F61 HydrophobicContact CB-CE1 4.26Å
46R72.1Confident65.8Low20 Ų2090.4 Ų90.48%0.07543%0.434CS..PPolyproline II helixtrans-73.9153.7176.681.2-169.7179.3131.43.1110.4Y8 R44 G51 D55 R60Y8-R46 PolarHBondContact OH-NH1 3.43Å; Y8-R46 VanDerWaalsContact OH-NH1 3.07Å; Y8-R46 PolarHBondContact OH-NH2 3.15Å; Y8-R46 VanDerWaalsContact OH-NH2 3.1Å; R44-R46 PolarHBondContact O-N 2.92Å; R46-G51 VanDerWaalsContact CD-CA 3.47Å; R46-G51 WeakPolarHBondContact CD-O 3.49Å; R46-G51 VanDerWaalsContact NH1-CA 3.26Å; R46-G51 PolarHBondContact NH1-O 3.01Å; R46-D55 WeakPolarHBondContact CD-OD2 3.29Å; R46-D55 IonicContact CZ-OD2 3Å; R46-D55 VanDerWaalsContact CZ-OD2 3.24Å; R46-D55 IonicContact NE-OD2 3.15Å; R46-D55 PolarHBondContact NE-OD2 3.15Å; R46-D55 IonicContact NH1-OD2 3.24Å; R46-D55 PolarHBondContact NH1-OD2 2.71Å; R46-D55 VanDerWaalsContact NH1-OD2 3.15Å; R46-R60 WeakPolarHBondContact CD-O 3.27Å; R46-R60 WeakPolarHBondContact CG-O 3.39Å; R46-R60 VanDerWaalsContact NE-CA 3.28Å; R46-R60 VanDerWaalsContact NE-CB 3.32Å
47D67.1Low66.4Low89 Ų8987.5 Ų87.548%0.47643%0.428SS..PPolyproline II helixtrans-79.6127.6165.4170.7-28.8000108.6S49 V50 G51D47-S49 VanDerWaalsContact CG-OG 3.26Å; D47-S49 PolarHBondContact O-N 3.07Å; D47-S49 VanDerWaalsContact O-N 3.12Å; D47-S49 VanDerWaalsContact OD1-CB 3.28Å; D47-S49 WeakPolarHBondContact OD1-CB 3.38Å; D47-S49 PolarHBondContact OD1-N 2.83Å; D47-S49 PolarHBondContact OD1-OG 3.44Å; D47-V50 HydrophobicContact CB-CG2 3.61Å; D47-V50 CarbonylContact O-C 3.53Å; D47-V50 WeakPolarHBondContact O-CG2 3.04Å; D47-V50 PolarHBondContact O-N 3.23Å; D47-V50 VanDerWaalsContact O-N 3.09Å; D47-G51 VanDerWaalsContact O-CA 3.27Å; D47-G51 WeakPolarHBondContact O-CA 3.22Å; D47-G51 PolarHBondContact O-N 3.18Å
48P66.6Low66.9Low28 Ų2878.8 Ų78.818%0.18240%0.402CS..THydrogen-bonded Turntrans-50.8-33.7-179.9-23.327.2000114.8A29 I30 I33 V50A29-P48 HydrophobicContact CB-CB 4.49Å; I30-P48 HydrophobicContact CG1-CB 4.12Å; I30-P48 HydrophobicContact CG1-CG 4.02Å; I33-P48 HydrophobicContact CD1-CG 3.6Å; P48-V50 VanDerWaalsContact C-N 3.35Å
49S67.3Low67.5Low70 Ų7072.5 Ų72.549%0.4938%0.378SS..THydrogen-bonded Turntrans-72.7-27.5-177.468.80000113.1D47 W52D47-S49 VanDerWaalsContact CG-OG 3.26Å; D47-S49 PolarHBondContact O-N 3.07Å; D47-S49 VanDerWaalsContact O-N 3.12Å; D47-S49 VanDerWaalsContact OD1-CB 3.28Å; D47-S49 WeakPolarHBondContact OD1-CB 3.38Å; D47-S49 PolarHBondContact OD1-N 2.83Å; D47-S49 PolarHBondContact OD1-OG 3.44Å; S49-W52 PolarHBondContact O-NE1 3.45Å
50V64.6Low68Low73 Ų7372.8 Ų72.844%0.44237%0.37SS..THydrogen-bonded Turntrans-114.24.8-179.7-630000112.7D47 P48 W52 I53D47-V50 HydrophobicContact CB-CG2 3.61Å; D47-V50 CarbonylContact O-C 3.53Å; D47-V50 WeakPolarHBondContact O-CG2 3.04Å; D47-V50 PolarHBondContact O-N 3.23Å; D47-V50 VanDerWaalsContact O-N 3.09Å; P48-V50 VanDerWaalsContact C-N 3.35Å; V50-W52 VanDerWaalsContact C-CD1 3.49Å; V50-W52 PolarHBondContact O-N 2.88Å; V50-I53 PolarHBondContact O-N 3.39Å
51G57.2Low68.6Low4 Ų461.3 Ų61.34%0.04133%0.327CS..THydrogen-bonded Turntrans-65.81.6-164.200000115.8R46 D47 D55R46-G51 VanDerWaalsContact CD-CA 3.47Å; R46-G51 WeakPolarHBondContact CD-O 3.49Å; R46-G51 VanDerWaalsContact NH1-CA 3.26Å; R46-G51 PolarHBondContact NH1-O 3.01Å; D47-G51 VanDerWaalsContact O-CA 3.27Å; D47-G51 WeakPolarHBondContact O-CA 3.22Å; D47-G51 PolarHBondContact O-N 3.18Å; G51-D55 WeakPolarHBondContact O-CB 3.26Å
52W64.4Low69.3Low95 Ų9559.8 Ų59.836%0.3632%0.318SS..THydrogen-bonded Turntrans-98.2-11.9-173.148.8-89.9000113.9Y4 I5 S49 V50Y4-W52 WeakPolarHBondContact CE1-O 3.38Å; I5-W52 HydrophobicContact CD1-CE3 3.98Å; I5-W52 HydrophobicContact CD1-CZ3 3.91Å; I5-W52 HydrophobicContact CG1-CE3 4.02Å; I5-W52 HydrophobicContact CG1-CZ3 4.45Å; S49-W52 PolarHBondContact O-NE1 3.45Å; V50-W52 VanDerWaalsContact C-CD1 3.49Å; V50-W52 PolarHBondContact O-N 2.88Å
53I67.2Low70.2Confident67 Ų6756.5 Ų56.534%0.34429%0.292SS..SBendtrans-75.4-35.7-169.7-60.1171.6000111.8V50V50-I53 PolarHBondContact O-N 3.39Å
54L73.6Confident70.7Confident50 Ų5063.1 Ų63.126%0.26231%0.306SS..SBendtrans-135.7-9-168-55.9175.4000114.8F56 V62 E66 L67 A70 F74L54-F56 PolarHBondContact O-N 3.17Å; L54-V62 HydrophobicContact CB-CG1 3.87Å; L54-V62 HydrophobicContact CB-CG2 3.98Å; L54-E66 WeakPolarHBondContact O-CB 3.47Å; L54-L67 HydrophobicContact CD1-CD2 3.99Å; L54-A70 HydrophobicContact CD2-CB 3.41Å; L54-A70 VanDerWaalsContact CD2-CB 3.41Å; L54-F74 HydrophobicContact CD2-CE2 3.97Å
55D75.5Confident71.3Confident0 Ų058.2 Ų58.20%030%0.296CS..  trans-9191.2177.9160.625.6000107.2Y4 R46 G51 N57 G58 D59 R60 V62 E66Y4-D55 PolarHBondContact OH-O 3.04Å; R46-D55 WeakPolarHBondContact CD-OD2 3.29Å; R46-D55 IonicContact CZ-OD2 3Å; R46-D55 VanDerWaalsContact CZ-OD2 3.24Å; R46-D55 IonicContact NE-OD2 3.15Å; R46-D55 PolarHBondContact NE-OD2 3.15Å; R46-D55 IonicContact NH1-OD2 3.24Å; R46-D55 PolarHBondContact NH1-OD2 2.71Å; R46-D55 VanDerWaalsContact NH1-OD2 3.15Å; G51-D55 WeakPolarHBondContact O-CB 3.26Å; D55-N57 PolarHBondContact OD1-OD1 3.4Å; D55-G58 WeakPolarHBondContact OD1-CA 3.27Å; D55-G58 PolarHBondContact OD1-N 3.35Å; D55-D59 PolarHBondContact OD1-N 2.83Å; D55-R60 PolarHBondContact OD1-N 3.43Å; D55-R60 WeakPolarHBondContact OD2-CA 3.46Å; D55-R60 PolarHBondContact OD2-N 3.09Å; D55-V62 HydrophobicContact CB-CG2 4.32Å; D55-E66 VanDerWaalsContact CA-OE1 3.29Å; D55-E66 WeakPolarHBondContact CA-OE1 3.37Å
56F72.3Confident72Confident54 Ų5455.1 Ų55.124%0.23728%0.281CS..SBendtrans-82.5-35.4-168-67.8-59.5000112.5Y4 L54 G58 E66 A69 A70 I73Y4-F56 HydrophobicContact CE2-CD1 4.39Å; Y4-F56 WeakPolarHBondContact OH-CA 3.36Å; Y4-F56 PolarHBondContact OH-O 3.05Å; L54-F56 PolarHBondContact O-N 3.17Å; F56-G58 VanDerWaalsContact C-N 3.28Å; F56-E66 HydrophobicContact CD2-CB 4.37Å; F56-E66 WeakPolarHBondContact CE2-O 3.44Å; F56-E66 PolarHBondContact N-OE1 2.95Å; F56-A69 HydrophobicContact CD2-CB 4.23Å; F56-A69 HydrophobicContact CE2-CB 4.09Å; F56-A70 HydrophobicContact CE2-CB 3.81Å; F56-A70 HydrophobicContact CZ-CB 3.9Å; F56-I73 HydrophobicContact CE1-CD1 3.99Å; F56-I73 HydrophobicContact CE2-CD1 4.08Å; F56-I73 HydrophobicContact CZ-CD1 3.65Å
57N77.2Confident72.3Confident68 Ų6858.3 Ų58.336%0.36430%0.299SS..SBendtrans-80.3-11.5176.866.47.7000112.2D55 D59 E66 E90D55-N57 PolarHBondContact OD1-OD1 3.4Å; N57-D59 VanDerWaalsContact ND2-CG 3.3Å; N57-D59 PolarHBondContact ND2-OD2 2.8Å; N57-D59 PolarHBondContact O-N 3.1Å; N57-D59 WeakPolarHBondContact OD1-CB 3.4Å; N57-D59 PolarHBondContact OD1-N 3.2Å; N57-D59 PolarHBondContact OD1-OD1 2.82Å; N57-E66 PolarHBondContact OD1-OE1 3.37Å; N57-E90 WeakPolarHBondContact CB-OE2 3.46Å
58G71.2Confident72.9Confident21 Ų2156.4 Ų56.422%0.21629%0.291CS..SBendtrans73.315.5-17900000113.4D55 F56 R60D55-G58 WeakPolarHBondContact OD1-CA 3.27Å; D55-G58 PolarHBondContact OD1-N 3.35Å; F56-G58 VanDerWaalsContact C-N 3.28Å; G58-R60 PolarHBondContact O-N 2.89Å
59D73.6Confident73.5Confident67 Ų6756.1 Ų56.136%0.35829%0.291SS..SBendtrans-74.1-9.2179.283.812000113.4D55 N57 F61D55-D59 PolarHBondContact OD1-N 2.83Å; N57-D59 VanDerWaalsContact ND2-CG 3.3Å; N57-D59 PolarHBondContact ND2-OD2 2.8Å; N57-D59 PolarHBondContact O-N 3.1Å; N57-D59 WeakPolarHBondContact OD1-CB 3.4Å; N57-D59 PolarHBondContact OD1-N 3.2Å; N57-D59 PolarHBondContact OD1-OD1 2.82Å; D59-F61 PolarHBondContact OD1-N 3.16Å
60R69.5Low74Confident59 Ų5952.9 Ų52.922%0.22327%0.269CS..SBendtrans82.64.2172.6-42.7-174.4-171.51101.6115.8R46 D55 G58R46-R60 WeakPolarHBondContact CD-O 3.27Å; R46-R60 WeakPolarHBondContact CG-O 3.39Å; R46-R60 VanDerWaalsContact NE-CA 3.28Å; R46-R60 VanDerWaalsContact NE-CB 3.32Å; D55-R60 PolarHBondContact OD1-N 3.43Å; D55-R60 WeakPolarHBondContact OD2-CA 3.46Å; D55-R60 PolarHBondContact OD2-N 3.09Å; G58-R60 PolarHBondContact O-N 2.89Å
61F73.8Confident74.5Confident20 Ų2055.6 Ų55.69%0.08827%0.274CS..EExtended strand (participates in β ladder)trans-105.3161.3166.8-70.8-94.9000108.4V41 Q45 D59V41-F61 HydrophobicContact CB-CD1 4.4Å; V41-F61 HydrophobicContact CB-CE1 4.07Å; V41-F61 HydrophobicContact CB-CE2 4.28Å; V41-F61 HydrophobicContact CB-CZ 4.01Å; V41-F61 HydrophobicContact CG1-CD1 4.01Å; V41-F61 HydrophobicContact CG1-CD2 4.02Å; V41-F61 HydrophobicContact CG1-CE1 4.18Å; V41-F61 HydrophobicContact CG1-CE2 4.2Å; V41-F61 HydrophobicContact CG1-CG 3.93Å; V41-F61 HydrophobicContact CG1-CZ 4.28Å; V41-F61 HydrophobicContact CG2-CE2 4.4Å; V41-F61 HydrophobicContact CG2-CZ 4.4Å; Q45-F61 HydrophobicContact CB-CE1 4.26Å; D59-F61 PolarHBondContact OD1-N 3.16Å
62V76.5Confident75.5Confident26 Ų2660.4 Ų60.416%0.15830%0.296CS..EExtended strand (participates in β ladder)trans-113.3105.8162.8-175.90000105.4R44 L54 D55 E66 L67R44-V62 PolarHBondContact N-O 3.29Å; R44-V62 PolarHBondContact O-N 2.84Å; L54-V62 HydrophobicContact CB-CG1 3.87Å; L54-V62 HydrophobicContact CB-CG2 3.98Å; D55-V62 HydrophobicContact CB-CG2 4.32Å; V62-E66 VanDerWaalsContact CA-OE2 3.26Å; V62-E66 WeakPolarHBondContact CA-OE2 3.33Å; V62-E66 HydrophobicContact CG1-CB 4.25Å; V62-L67 HydrophobicContact CG1-CD2 3.73Å; V62-L67 HydrophobicContact CG1-CG 3.76Å
63D80.8Confident75.9Confident45 Ų4556.8 Ų56.824%0.24128%0.283CS..  trans-85.6178.4175.791-2.5000111.6N65 E66 L67D63-N65 VanDerWaalsContact C-N 3.33Å; D63-N65 VanDerWaalsContact OD1-CA 3.3Å; D63-N65 WeakPolarHBondContact OD1-CA 3.22Å; D63-N65 VanDerWaalsContact OD1-CB 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.21Å; D63-N65 PolarHBondContact OD1-N 3.39Å; D63-N65 PolarHBondContact OD2-ND2 3.21Å; D63-E66 PolarHBondContact N-OE2 3.05Å; D63-E66 WeakPolarHBondContact OD1-CG 3.5Å; D63-E66 PolarHBondContact OD1-N 3.4Å; D63-L67 WeakPolarHBondContact O-CG 3.48Å; D63-L67 PolarHBondContact O-N 3.15Å
64Y77.7Confident76.1Confident179 Ų17959.1 Ų59.170%0.70229%0.291SS*.Hα-helixtrans-67.8-33.3179.5-178.7-93.5000113T68Y64-T68 WeakPolarHBondContact O-CB 3.21Å; Y64-T68 PolarHBondContact O-N 3.2Å; Y64-T68 PolarHBondContact O-OG1 2.83Å
65N81.4Confident75.9Confident111 Ų11163.9 Ų63.959%0.59431%0.312SS*.Hα-helixtrans-68.3-41.6179.7-56.5-49.4000110.2D63 T68 A69D63-N65 VanDerWaalsContact C-N 3.33Å; D63-N65 VanDerWaalsContact OD1-CA 3.3Å; D63-N65 WeakPolarHBondContact OD1-CA 3.22Å; D63-N65 VanDerWaalsContact OD1-CB 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.21Å; D63-N65 PolarHBondContact OD1-N 3.39Å; D63-N65 PolarHBondContact OD2-ND2 3.21Å; N65-T68 CarbonylContact O-C 3.6Å; N65-T68 WeakPolarHBondContact O-CB 3.29Å; N65-T68 PolarHBondContact O-N 3.11Å; N65-T68 VanDerWaalsContact O-N 3.15Å; N65-A69 WeakPolarHBondContact O-CB 3.49Å; N65-A69 PolarHBondContact O-N 3.19Å
66E81.7Confident75.6Confident12 Ų1266.1 Ų66.16%0.05634%0.335CS..Hα-helixtrans-65.9-40.6176.4-69.5-178.2116.100112.5L54 D55 F56 N57 V62 D63 T68 A69 A70L54-E66 WeakPolarHBondContact O-CB 3.47Å; D55-E66 VanDerWaalsContact CA-OE1 3.29Å; D55-E66 WeakPolarHBondContact CA-OE1 3.37Å; F56-E66 HydrophobicContact CD2-CB 4.37Å; F56-E66 WeakPolarHBondContact CE2-O 3.44Å; F56-E66 PolarHBondContact N-OE1 2.95Å; N57-E66 PolarHBondContact OD1-OE1 3.37Å; V62-E66 VanDerWaalsContact CA-OE2 3.26Å; V62-E66 WeakPolarHBondContact CA-OE2 3.33Å; V62-E66 HydrophobicContact CG1-CB 4.25Å; D63-E66 PolarHBondContact N-OE2 3.05Å; D63-E66 WeakPolarHBondContact OD1-CG 3.5Å; D63-E66 PolarHBondContact OD1-N 3.4Å; E66-T68 VanDerWaalsContact C-N 3.25Å; E66-T68 PolarHBondContact O-N 3.17Å; E66-A69 PolarHBondContact O-N 3.38Å; E66-A70 VanDerWaalsContact O-CB 3.29Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.22Å
67L78.9Confident74.8Confident87 Ų8765.1 Ų65.146%0.45534%0.339SS..Hα-helixtrans-59.7-39170.8-72.1173.2000112L54 V62 D63 K71L54-L67 HydrophobicContact CD1-CD2 3.99Å; V62-L67 HydrophobicContact CG1-CD2 3.73Å; V62-L67 HydrophobicContact CG1-CG 3.76Å; D63-L67 WeakPolarHBondContact O-CG 3.48Å; D63-L67 PolarHBondContact O-N 3.15Å; L67-K71 PolarHBondContact O-N 2.99Å
68T79Confident73.6Confident48 Ų4867.7 Ų67.729%0.29435%0.348SS..Hα-helixtrans-68.9-47178.6-58.30000110.9Y64 N65 E66 A70 K71 E72Y64-T68 WeakPolarHBondContact O-CB 3.21Å; Y64-T68 PolarHBondContact O-N 3.2Å; Y64-T68 PolarHBondContact O-OG1 2.83Å; N65-T68 CarbonylContact O-C 3.6Å; N65-T68 WeakPolarHBondContact O-CB 3.29Å; N65-T68 PolarHBondContact O-N 3.11Å; N65-T68 VanDerWaalsContact O-N 3.15Å; E66-T68 VanDerWaalsContact C-N 3.25Å; E66-T68 PolarHBondContact O-N 3.17Å; T68-A70 VanDerWaalsContact C-N 3.3Å; T68-A70 PolarHBondContact O-N 3.42Å; T68-K71 WeakPolarHBondContact O-CB 3.33Å; T68-K71 PolarHBondContact O-N 3.15Å; T68-K71 VanDerWaalsContact O-N 3.17Å; T68-E72 PolarHBondContact O-N 3.29Å
69A80.2Confident72.9Confident22 Ų2272.3 Ų72.318%0.18237%0.368CS..Hα-helixtrans-59.6-41.6175.100000111.3F56 N65 E66 K71 E72 I73F56-A69 HydrophobicContact CD2-CB 4.23Å; F56-A69 HydrophobicContact CE2-CB 4.09Å; N65-A69 WeakPolarHBondContact O-CB 3.49Å; N65-A69 PolarHBondContact O-N 3.19Å; E66-A69 PolarHBondContact O-N 3.38Å; A69-K71 PolarHBondContact O-N 2.92Å; A69-E72 PolarHBondContact O-N 2.79Å; A69-I73 VanDerWaalsContact O-CG1 3.27Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.85Å
70A77.2Confident71.9Confident3 Ų370 Ų703%0.02536%0.358CS..Hα-helixtrans-60.1-46.2175.800000111.3L54 F56 E66 T68 E72 I73 F74L54-A70 HydrophobicContact CD2-CB 3.41Å; L54-A70 VanDerWaalsContact CD2-CB 3.41Å; F56-A70 HydrophobicContact CE2-CB 3.81Å; F56-A70 HydrophobicContact CZ-CB 3.9Å; E66-A70 VanDerWaalsContact O-CB 3.29Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.22Å; T68-A70 VanDerWaalsContact C-N 3.3Å; T68-A70 PolarHBondContact O-N 3.42Å; A70-E72 VanDerWaalsContact C-N 3.3Å; A70-E72 PolarHBondContact O-N 2.81Å; A70-I73 PolarHBondContact O-N 2.95Å; A70-F74 HydrophobicContact CB-CD2 4.22Å; A70-F74 HydrophobicContact CB-CE2 4.06Å; A70-F74 WeakPolarHBondContact O-CB 3.19Å; A70-F74 WeakPolarHBondContact O-CD2 3.48Å; A70-F74 WeakPolarHBondContact O-CG 3.46Å; A70-F74 PolarHBondContact O-N 3.27Å
71K75.3Confident70.9Confident130 Ų13069.5 Ų69.557%0.56536%0.363SS*.Hα-helixtrans-56.8-44.5175-179.6-175.5177.1-175.80111.4L67 T68 A69 F74 H75L67-K71 PolarHBondContact O-N 2.99Å; T68-K71 WeakPolarHBondContact O-CB 3.33Å; T68-K71 PolarHBondContact O-N 3.15Å; T68-K71 VanDerWaalsContact O-N 3.17Å; A69-K71 PolarHBondContact O-N 2.92Å; K71-F74 PolarHBondContact O-N 3.47Å; K71-H75 VanDerWaalsContact CE-CE1 3.4Å; K71-H75 WeakPolarHBondContact CE-CE1 3.26Å; K71-H75 WeakPolarHBondContact O-CB 3.43Å; K71-H75 VanDerWaalsContact O-CG 3.27Å; K71-H75 PolarHBondContact O-N 3.41Å
72E77.8Confident69.7Low104 Ų10476.1 Ų76.149%0.48639%0.392SS..Hα-helixtrans-63.5-43.2177.4-68.8-17717300112.3T68 A69 A70 G76 F86T68-E72 PolarHBondContact O-N 3.29Å; A69-E72 PolarHBondContact O-N 2.79Å; A70-E72 VanDerWaalsContact C-N 3.3Å; A70-E72 PolarHBondContact O-N 2.81Å; E72-G76 PolarHBondContact O-N 3.28Å; E72-F86 HydrophobicContact CB-CZ 4.18Å; E72-F86 WeakPolarHBondContact OE2-CE1 3.39Å; E72-F86 VanDerWaalsContact OE2-CZ 3.26Å; E72-F86 WeakPolarHBondContact OE2-CZ 3.47Å
73I72.9Confident68.3Low20 Ų2077.6 Ų77.610%0.10340%0.403CS..Hα-helixtrans-63.8-44176.8-68.4163.3000111F56 A69 A70 G77F56-I73 HydrophobicContact CE1-CD1 3.99Å; F56-I73 HydrophobicContact CE2-CD1 4.08Å; F56-I73 HydrophobicContact CZ-CD1 3.65Å; A69-I73 VanDerWaalsContact O-CG1 3.27Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.85Å; A70-I73 PolarHBondContact O-N 2.95Å; I73-G77 CarbonylContact O-C 3.57Å; I73-G77 PolarHBondContact O-N 3.23Å
74F71.6Confident66.8Low116 Ų11677 Ų7751%0.50941%0.408SS..Hα-helixtrans-71.4-38.7179.3-71.6-58.8000112.4M1 L54 A70 K71 G77M1-F74 HydrophobicContact CE-CE1 3.63Å; M1-F74 HydrophobicContact CE-CE2 4.43Å; M1-F74 HydrophobicContact CE-CZ 3.53Å; L54-F74 HydrophobicContact CD2-CE2 3.97Å; A70-F74 HydrophobicContact CB-CD2 4.22Å; A70-F74 HydrophobicContact CB-CE2 4.06Å; A70-F74 WeakPolarHBondContact O-CB 3.19Å; A70-F74 WeakPolarHBondContact O-CD2 3.48Å; A70-F74 WeakPolarHBondContact O-CG 3.46Å; A70-F74 PolarHBondContact O-N 3.27Å; K71-F74 PolarHBondContact O-N 3.47Å; F74-G77 PolarHBondContact O-N 2.95Å
75H70.5Confident65.5Low150 Ų15076.8 Ų76.869%0.69441%0.411SS*.Hα-helixtrans-69.5-41.2175.8-78.8-171.8000112.7K71 G77K71-H75 VanDerWaalsContact CE-CE1 3.4Å; K71-H75 WeakPolarHBondContact CE-CE1 3.26Å; K71-H75 WeakPolarHBondContact O-CB 3.43Å; K71-H75 VanDerWaalsContact O-CG 3.27Å; K71-H75 PolarHBondContact O-N 3.41Å; H75-G77 PolarHBondContact O-N 3.06Å
76G68.1Low63.9Low47 Ų4775.1 Ų75.149%0.48540%0.398SS..SBendtrans-75.7-7.1177.500000113.9E72E72-G76 PolarHBondContact O-N 3.28Å
77G56Low62.1Low32 Ų3279.5 Ų79.533%0.3342%0.422SS..  trans65.4-178.3-172.800000112.9I73 F74 H75 N79 A80I73-G77 CarbonylContact O-C 3.57Å; I73-G77 PolarHBondContact O-N 3.23Å; F74-G77 PolarHBondContact O-N 2.95Å; H75-G77 PolarHBondContact O-N 3.06Å; G77-N79 PolarHBondContact O-N 2.75Å; G77-A80 PolarHBondContact O-N 3.32Å
78F52.8Low60.3Low122 Ų12283.9 Ų83.954%0.53544%0.437SS..THydrogen-bonded Turntrans-52.8-24.3-175.7-173.3-94.7000114.4L3L3-F78 HydrophobicContact CD1-CZ 4.37Å
79N55.2Low58.3Low119 Ų11990.1 Ų90.164%0.63646%0.463SS*.THydrogen-bonded Turntrans-73.3-22.4-179.6-68.1-29.2000113.9G77 S81 K82G77-N79 PolarHBondContact O-N 2.75Å; N79-S81 VanDerWaalsContact C-N 3.3Å; N79-S81 PolarHBondContact O-N 2.87Å; N79-K82 PolarHBondContact O-N 3.49Å
80A52.2Low56.2Low19 Ų1996.6 Ų96.616%0.15749%0.489CS..G310 helixtrans-64.6-34.7177.700000112.4G77 K82 S83G77-A80 PolarHBondContact O-N 3.32Å; A80-K82 PolarHBondContact O-N 3.06Å; A80-S83 WeakPolarHBondContact O-CB 3.42Å; A80-S83 PolarHBondContact O-N 2.85Å; A80-S83 VanDerWaalsContact O-N 3.11Å; A80-S83 PolarHBondContact O-OG 3.04Å
81S49.1Very low54.3Low47 Ų47108 Ų10833%0.32955%0.548SS..G310 helixtrans-66.7-22.3176.1173.90000113.4N79 S83N79-S81 VanDerWaalsContact C-N 3.3Å; N79-S81 PolarHBondContact O-N 2.87Å; S81-S83 VanDerWaalsContact C-N 3.34Å
82K48.5Very low53.2Low160 Ų160106.9 Ų106.970%0.69655%0.548SS*.G310 helixtrans-77.2-21173.6-70.9-169.8176.7-177.70113.1N79 A80 G84N79-K82 PolarHBondContact O-N 3.49Å; A80-K82 PolarHBondContact O-N 3.06Å; K82-G84 PolarHBondContact O-N 2.85Å
83S47.8Very low51.9Low56 Ų56107 Ų10739%0.39255%0.551SS.*SBendtrans-68.7106.4166.379.50000105.5A80 S81 K85 F86A80-S83 WeakPolarHBondContact O-CB 3.42Å; A80-S83 PolarHBondContact O-N 2.85Å; A80-S83 VanDerWaalsContact O-N 3.11Å; A80-S83 PolarHBondContact O-OG 3.04Å; S81-S83 VanDerWaalsContact C-N 3.34Å; S83-K85 PolarHBondContact O-N 2.96Å; S83-F86 PolarHBondContact O-N 3.5Å
84G49.7Very low50.8Low34 Ų34111.8 Ų111.835%0.35158%0.576SS.*THydrogen-bonded Turntrans-60.915.2-17900000114.4K82 K88K82-G84 PolarHBondContact O-N 2.85Å; G84-K88 VanDerWaalsContact O-CB 3.32Å; G84-K88 WeakPolarHBondContact O-CB 3.26Å; G84-K88 WeakPolarHBondContact O-CG 3.3Å
85K50.3Low49.5Very low173 Ų173111.6 Ų111.675%0.75258%0.58SS**THydrogen-bonded Turntrans-68.6-33.3172.4-151.7179.1-177.3-170.90111.6S83S83-K85 PolarHBondContact O-N 2.96Å
86F47.1Very low48.2Very low76 Ų76109.2 Ų109.233%0.33357%0.572SS.*SBendtrans-93.3-6.7177.5-60.2-77.6000114E72 S83E72-F86 HydrophobicContact CB-CZ 4.18Å; E72-F86 WeakPolarHBondContact OE2-CE1 3.39Å; E72-F86 VanDerWaalsContact OE2-CZ 3.26Å; E72-F86 WeakPolarHBondContact OE2-CZ 3.47Å; S83-F86 PolarHBondContact O-N 3.5Å
87L44.4Very low46.9Very low104 Ų104113.3 Ų113.355%0.54558%0.578SS.*SBendtrans-104.21.2179.8-67173.1000112.8
88K40.9Very low46.3Very low180 Ų180119.1 Ų119.178%0.78360%0.596SS**SBendtrans-108.5-4.7-171.8-88.7-173.4176.6-168.10114.8G84G84-K88 VanDerWaalsContact O-CB 3.32Å; G84-K88 WeakPolarHBondContact O-CB 3.26Å; G84-K88 WeakPolarHBondContact O-CG 3.3Å
89E36Very low45.7Very low178 Ų178118.9 Ų118.983%0.83260%0.601SS**SBendtrans-92.6115.6166.8-68.5-174.9175.200106.4
90E36.7Very low45Very low158 Ų158118.9 Ų118.974%0.73860%0.598SS**  trans90.773.1178.1-52.1-166.9133.800116.9N57N57-E90 WeakPolarHBondContact CB-OE2 3.46Å
91L36.9Very low44.3Very low242 Ų242128 Ų128100%1.26764%0.638SS**  trans-115.60143.8-141.6157.8000107.2

Retrieved 91 of 91 residues in 43.6 ms (Link to these results)

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