A0A077YUV4_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077YUV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 69 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
1M59.4Low69.4Low232 Ų232124.2 Ų124.2100%1.14362%0.622SS**  054.60-166.7177.1172.300110.8
2F63.2Low70.6Confident189 Ų189126.9 Ų126.983%0.82962%0.62SS**  trans-123.4-12.6179.6-85.6-86.7000116.4
3P66.9Low72Confident89 Ų89131.5 Ų131.558%0.57863%0.626SS**Hα-helixtrans-79.3-37.1-172.328.6-31.6000114.1F5 F6 I7P3-F5 PolarHBondContact O-N 3.07Å; P3-F6 PolarHBondContact O-N 3.35Å; P3-I7 VanDerWaalsContact O-CG1 3.31Å; P3-I7 WeakPolarHBondContact O-CG1 3.48Å; P3-I7 PolarHBondContact O-N 3.18Å
4L64.7Low73.3Confident143 Ų143126 Ų12675%0.74961%0.614SS**Hα-helixtrans-65.2-39.8-174-81.7158000113.7F6 I7 C8L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3.2Å; L4-I7 PolarHBondContact O-N 3.11Å; L4-C8 WeakPolarHBondContact O-CB 3.49Å; L4-C8 PolarHBondContact O-N 3.46Å
5F59.7Low74.5Confident135 Ų135125.7 Ų125.759%0.59261%0.61SS**Hα-helixtrans-67.4-35.6179.8-174.9-104.6000112.2P3 K9P3-F5 PolarHBondContact O-N 3.07Å; F5-K9 HydrophobicContact CE1-CD 3.99Å; F5-K9 VanDerWaalsContact CE1-CE 3.42Å; F5-K9 HydrophobicContact CZ-CD 4.38Å; F5-K9 VanDerWaalsContact CZ-CE 3.48Å; F5-K9 PolarHBondContact O-N 3.08Å
6F67.9Low75.8Confident146 Ų146125.3 Ų125.364%0.6461%0.607SS**Hα-helixtrans-70.1-45.6176.1-166.4-97.2000111.2P3 L4 C8 K9 V10P3-F6 PolarHBondContact O-N 3.35Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3.2Å; F6-C8 VanDerWaalsContact C-N 3.32Å; F6-C8 PolarHBondContact O-N 3.04Å; F6-K9 PolarHBondContact O-N 2.99Å; F6-K9 VanDerWaalsContact O-N 3.13Å; F6-V10 HydrophobicContact CD1-CG2 3.89Å; F6-V10 HydrophobicContact CE1-CG2 3.64Å; F6-V10 HydrophobicContact CZ-CG2 4.23Å; F6-V10 WeakPolarHBondContact O-CG2 3.41Å; F6-V10 PolarHBondContact O-N 3.49Å
7I68.3Low76.9Confident90 Ų90122.3 Ų122.346%0.46260%0.595SS.*Hα-helixtrans-54.8-48.9175.3-67.8169.4000110.3P3 L4 K9 V10 D11P3-I7 VanDerWaalsContact O-CG1 3.31Å; P3-I7 WeakPolarHBondContact O-CG1 3.48Å; P3-I7 PolarHBondContact O-N 3.18Å; L4-I7 PolarHBondContact O-N 3.11Å; I7-K9 VanDerWaalsContact C-N 3.3Å; I7-K9 PolarHBondContact O-N 3.01Å; I7-V10 PolarHBondContact O-N 3.36Å; I7-D11 WeakPolarHBondContact CG2-OD2 3.39Å; I7-D11 PolarHBondContact O-N 2.99Å
8C71.7Confident77.9Confident62 Ų62118.6 Ų118.642%0.41959%0.587SS.*Hα-helixtrans-64.5-30.6-179.1-1640000113.6L4 F6 R12L4-C8 WeakPolarHBondContact O-CB 3.49Å; L4-C8 PolarHBondContact O-N 3.46Å; F6-C8 VanDerWaalsContact C-N 3.32Å; F6-C8 PolarHBondContact O-N 3.04Å; C8-R12 WeakPolarHBondContact O-CB 3.35Å; C8-R12 WeakPolarHBondContact O-CG 3.47Å; C8-R12 PolarHBondContact O-N 3.37Å
9K76.8Confident78.8Confident113 Ų113117.2 Ų117.249%0.49158%0.581SS.*Hα-helixtrans-72.3-39.2171.6-83-171.6173.7175.60112.2F5 F6 I7 R12 R13F5-K9 HydrophobicContact CE1-CD 3.99Å; F5-K9 VanDerWaalsContact CE1-CE 3.42Å; F5-K9 HydrophobicContact CZ-CD 4.38Å; F5-K9 VanDerWaalsContact CZ-CE 3.48Å; F5-K9 PolarHBondContact O-N 3.08Å; F6-K9 PolarHBondContact O-N 2.99Å; F6-K9 VanDerWaalsContact O-N 3.13Å; I7-K9 VanDerWaalsContact C-N 3.3Å; I7-K9 PolarHBondContact O-N 3.01Å; K9-R12 PolarHBondContact O-N 3.41Å; K9-R13 PolarHBondContact O-N 3.37Å; K9-R13 VanDerWaalsContact O-N 3.07Å
10V81.2Confident79.6Confident71 Ų71113.7 Ų113.743%0.4356%0.563SS.*Hα-helixtrans-64.9-45.4176.1172.80000110.4F6 I7 R12 R13 A14F6-V10 HydrophobicContact CD1-CG2 3.89Å; F6-V10 HydrophobicContact CE1-CG2 3.64Å; F6-V10 HydrophobicContact CZ-CG2 4.23Å; F6-V10 WeakPolarHBondContact O-CG2 3.41Å; F6-V10 PolarHBondContact O-N 3.49Å; I7-V10 PolarHBondContact O-N 3.36Å; V10-R12 VanDerWaalsContact C-N 3.34Å; V10-R12 PolarHBondContact O-N 3.48Å; V10-R13 PolarHBondContact O-N 3Å; V10-R13 VanDerWaalsContact O-N 3.1Å; V10-A14 WeakPolarHBondContact O-CB 3.44Å; V10-A14 PolarHBondContact O-N 3.01Å
11D83.2Confident80.4Confident96 Ų96115.7 Ų115.751%0.51357%0.565SS.*Hα-helixtrans-60.4-43.5177.1-72.4-28.4000111.7I7 R13 A14 H15I7-D11 WeakPolarHBondContact CG2-OD2 3.39Å; I7-D11 PolarHBondContact O-N 2.99Å; D11-R13 VanDerWaalsContact C-N 3.32Å; D11-R13 PolarHBondContact O-N 3.48Å; D11-A14 PolarHBondContact O-N 3.02Å; D11-H15 WeakPolarHBondContact O-CB 3.42Å; D11-H15 PolarHBondContact O-N 3.19Å
12R84.7Confident82Confident157 Ų157114 Ų11459%0.59255%0.546SS*.Hα-helixtrans-59.9-42174.2-82.9-169.6-89.6-169.2-8.9112.3C8 K9 V10 H16C8-R12 WeakPolarHBondContact O-CB 3.35Å; C8-R12 WeakPolarHBondContact O-CG 3.47Å; C8-R12 PolarHBondContact O-N 3.37Å; K9-R12 PolarHBondContact O-N 3.41Å; V10-R12 VanDerWaalsContact C-N 3.34Å; V10-R12 PolarHBondContact O-N 3.48Å; R12-H16 WeakPolarHBondContact O-CB 3.32Å; R12-H16 PolarHBondContact O-N 3.07Å
13R88.3Confident83.6Confident186 Ų186111.6 Ų111.670%0.70253%0.531SS*.Hα-helixtrans-68.4-41.6177.9-170.7178.9-69.9-165.3-2.2111.7K9 V10 D11 H16 N17K9-R13 PolarHBondContact O-N 3.37Å; K9-R13 VanDerWaalsContact O-N 3.07Å; V10-R13 PolarHBondContact O-N 3Å; V10-R13 VanDerWaalsContact O-N 3.1Å; D11-R13 VanDerWaalsContact C-N 3.32Å; D11-R13 PolarHBondContact O-N 3.48Å; R13-H16 PolarHBondContact O-N 3.19Å; R13-N17 WeakPolarHBondContact O-CB 3.35Å; R13-N17 PolarHBondContact O-N 3.3Å; R13-N17 PolarHBondContact O-ND2 3.47Å
14A90.1Very high84.9Confident55 Ų55113.1 Ų113.146%0.45553%0.525SS..Hα-helixtrans-63.3-45.8177.200000111.4V10 D11 N17 A18V10-A14 WeakPolarHBondContact O-CB 3.44Å; V10-A14 PolarHBondContact O-N 3.01Å; D11-A14 PolarHBondContact O-N 3.02Å; A14-N17 PolarHBondContact O-N 3.2Å; A14-A18 PolarHBondContact O-N 2.71Å
15H91.8Very high86.3Confident121 Ų121111.8 Ų111.856%0.5652%0.515SS*.Hα-helixtrans-61.2-46.9176.4-176.471.7000111.9D11 N17 A18 L19D11-H15 WeakPolarHBondContact O-CB 3.42Å; D11-H15 PolarHBondContact O-N 3.19Å; H15-N17 VanDerWaalsContact C-N 3.32Å; H15-N17 PolarHBondContact O-N 3.25Å; H15-A18 WeakPolarHBondContact O-CB 3.43Å; H15-A18 PolarHBondContact O-N 2.97Å; H15-A18 VanDerWaalsContact O-N 3.15Å; H15-L19 WeakPolarHBondContact NE2-CD1 3.44Å; H15-L19 PolarHBondContact O-N 3.3Å
16H94.5Very high87.8Confident119 Ų119111.5 Ų111.555%0.55152%0.515SS*.Hα-helixtrans-58.6-44.4176.1-175.977.4000111.9R12 R13 A18 L19 E20R12-H16 WeakPolarHBondContact O-CB 3.32Å; R12-H16 PolarHBondContact O-N 3.07Å; R13-H16 PolarHBondContact O-N 3.19Å; H16-A18 VanDerWaalsContact C-N 3.3Å; H16-A18 PolarHBondContact O-N 3.36Å; H16-L19 PolarHBondContact O-N 3.27Å; H16-E20 PolarHBondContact O-N 3.42Å
17N94.8Very high88.9Confident75 Ų75107.4 Ų107.440%0.40150%0.499SS..Hα-helixtrans-64-33.5177.2-74.4-15.1000113.2R13 A14 H15 R21R13-N17 WeakPolarHBondContact O-CB 3.35Å; R13-N17 PolarHBondContact O-N 3.3Å; R13-N17 PolarHBondContact O-ND2 3.47Å; A14-N17 PolarHBondContact O-N 3.2Å; H15-N17 VanDerWaalsContact C-N 3.32Å; H15-N17 PolarHBondContact O-N 3.25Å; N17-R21 WeakPolarHBondContact O-CG 3.34Å; N17-R21 PolarHBondContact O-N 2.94Å; N17-R21 VanDerWaalsContact O-N 3.16Å
18A94.4Very high89.7Confident56 Ų56109.8 Ų109.846%0.46351%0.506SS..Hα-helixtrans-70.3-45.3174.900000111.4A14 H15 H16 E20 R21 R22A14-A18 PolarHBondContact O-N 2.71Å; H15-A18 WeakPolarHBondContact O-CB 3.43Å; H15-A18 PolarHBondContact O-N 2.97Å; H15-A18 VanDerWaalsContact O-N 3.15Å; H16-A18 VanDerWaalsContact C-N 3.3Å; H16-A18 PolarHBondContact O-N 3.36Å; A18-E20 PolarHBondContact O-N 2.85Å; A18-R21 WeakPolarHBondContact O-CB 3.09Å; A18-R21 PolarHBondContact O-N 3.17Å; A18-R22 PolarHBondContact O-N 3.4Å
19L95.4Very high90.4Very high91 Ų91110.1 Ų110.148%0.47650%0.504SS..Hα-helixtrans-59.7-45.7175.7-74.5178000111.8H15 H16 R21 R22 R23H15-L19 WeakPolarHBondContact NE2-CD1 3.44Å; H15-L19 PolarHBondContact O-N 3.3Å; H16-L19 PolarHBondContact O-N 3.27Å; L19-R21 VanDerWaalsContact C-N 3.3Å; L19-R21 PolarHBondContact O-N 2.95Å; L19-R22 WeakPolarHBondContact O-CB 3.26Å; L19-R22 PolarHBondContact O-N 3.26Å; L19-R22 VanDerWaalsContact O-N 3.14Å; L19-R23 PolarHBondContact O-N 3.41Å
20E95.5Very high90.9Very high47 Ų47107.8 Ų107.822%0.2250%0.502CS..Hα-helixtrans-67.8-32179.9-178.657.5-157.700111.8H16 A18 R23 R24H16-E20 PolarHBondContact O-N 3.42Å; A18-E20 PolarHBondContact O-N 2.85Å; E20-R23 PolarHBondContact O-N 2.94Å; E20-R23 IonicContact OE1-CZ 3.41Å; E20-R23 IonicContact OE1-NE 3.69Å; E20-R23 PolarHBondContact OE1-NE 3.46Å; E20-R23 IonicContact OE1-NH2 3.29Å; E20-R23 PolarHBondContact OE1-NH2 3.42Å; E20-R23 WeakPolarHBondContact OE2-CD 3.21Å; E20-R23 IonicContact OE2-CZ 3.21Å; E20-R23 IonicContact OE2-NE 3.9Å; E20-R23 PolarHBondContact OE2-NE 2.88Å; E20-R23 IonicContact OE2-NH2 3.26Å; E20-R24 WeakPolarHBondContact O-CB 3.43Å; E20-R24 WeakPolarHBondContact O-CG 3.34Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-NH1 3.71Å
21R95.3Very high90.9Very high156 Ų156106.7 Ų106.759%0.58949%0.491SS*.Hα-helixtrans-61.1-46.9169.3-85.1-178.7172.981.5-3.5111.6N17 A18 L19 R23 R24 H25N17-R21 WeakPolarHBondContact O-CG 3.34Å; N17-R21 PolarHBondContact O-N 2.94Å; N17-R21 VanDerWaalsContact O-N 3.16Å; A18-R21 WeakPolarHBondContact O-CB 3.09Å; A18-R21 PolarHBondContact O-N 3.17Å; L19-R21 VanDerWaalsContact C-N 3.3Å; L19-R21 PolarHBondContact O-N 2.95Å; R21-R23 PolarHBondContact O-N 3.49Å; R21-R24 PolarHBondContact O-N 2.92Å; R21-H25 PolarHBondContact O-N 3.14Å
22R94.6Very high90.8Very high198 Ų198105 Ų10575%0.74749%0.49SS*.Hα-helixtrans-61-43.7176.8-174.8177.9177.9-175.7-0.7111.5A18 L19 R24 H25 H26A18-R22 PolarHBondContact O-N 3.4Å; L19-R22 WeakPolarHBondContact O-CB 3.26Å; L19-R22 PolarHBondContact O-N 3.26Å; L19-R22 VanDerWaalsContact O-N 3.14Å; R22-R24 PolarHBondContact O-N 3.26Å; R22-H25 PolarHBondContact O-N 3.19Å; R22-H26 PolarHBondContact O-N 3.27Å
23R96.5Very high90.7Very high137 Ų137101.4 Ų101.452%0.51749%0.486SS..Hα-helixtrans-59.4-48176.7-164.8-169.273.393.55.3111.5L19 E20 R21 H25 H26 I27L19-R23 PolarHBondContact O-N 3.41Å; E20-R23 PolarHBondContact O-N 2.94Å; E20-R23 IonicContact OE1-CZ 3.41Å; E20-R23 IonicContact OE1-NE 3.69Å; E20-R23 PolarHBondContact OE1-NE 3.46Å; E20-R23 IonicContact OE1-NH2 3.29Å; E20-R23 PolarHBondContact OE1-NH2 3.42Å; E20-R23 WeakPolarHBondContact OE2-CD 3.21Å; E20-R23 IonicContact OE2-CZ 3.21Å; E20-R23 IonicContact OE2-NE 3.9Å; E20-R23 PolarHBondContact OE2-NE 2.88Å; E20-R23 IonicContact OE2-NH2 3.26Å; R21-R23 PolarHBondContact O-N 3.49Å; R23-H25 PolarHBondContact O-N 3.06Å; R23-H26 PolarHBondContact O-N 3.21Å; R23-I27 HydrophobicContact CG-CD1 4.18Å; R23-I27 WeakPolarHBondContact O-CG1 3.4Å; R23-I27 PolarHBondContact O-N 3.4Å
24R94.3Very high90.3Very high122 Ų12295.2 Ų95.246%0.4647%0.467SS..Hα-helixtrans-63.3-38.5177.7-73.8-169.7-60.2-108.2-1.3112.9E20 R21 R22 I27 K28E20-R24 WeakPolarHBondContact O-CB 3.43Å; E20-R24 WeakPolarHBondContact O-CG 3.34Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-NH1 3.71Å; R21-R24 PolarHBondContact O-N 2.92Å; R22-R24 PolarHBondContact O-N 3.26Å; R24-I27 PolarHBondContact O-N 3.26Å; R24-K28 WeakPolarHBondContact O-CB 3.37Å; R24-K28 PolarHBondContact O-N 3.29Å
25H92.6Very high89.6Confident114 Ų11497.4 Ų97.453%0.52846%0.463SS..Hα-helixtrans-62.6-47.4175.9-176.322.6000111.1R21 R22 R23 I27 K28 D29R21-H25 PolarHBondContact O-N 3.14Å; R22-H25 PolarHBondContact O-N 3.19Å; R23-H25 PolarHBondContact O-N 3.06Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 3.32Å; H25-K28 WeakPolarHBondContact O-CB 3.43Å; H25-K28 PolarHBondContact O-N 3.45Å; H25-K28 VanDerWaalsContact O-N 3.07Å; H25-D29 IonicContact CE1-OD1 2.79Å; H25-D29 PolarHBondContact CE1-OD1 3.28Å; H25-D29 VanDerWaalsContact CE1-OD1 3.26Å; H25-D29 IonicContact CE1-OD2 3.75Å; H25-D29 PolarHBondContact CE1-OD2 2.97Å; H25-D29 IonicContact ND1-OD1 3.22Å; H25-D29 PolarHBondContact ND1-OD1 2.97Å; H25-D29 IonicContact ND1-OD2 2.78Å; H25-D29 PolarHBondContact ND1-OD2 3.35Å; H25-D29 IonicContact NE2-OD2 3.44Å; H25-D29 VanDerWaalsContact O-CG 3.29Å; H25-D29 PolarHBondContact O-N 2.89Å
26H92.9Very high88.9Confident129 Ų12995.9 Ų95.960%0.59747%0.472SS*.Hα-helixtrans-59.6-43.6178.2-172.1-161.8000111.8R22 R23 K28 D29 S30R22-H26 PolarHBondContact O-N 3.27Å; R23-H26 PolarHBondContact O-N 3.21Å; H26-K28 VanDerWaalsContact C-N 3.33Å; H26-K28 PolarHBondContact O-N 3.41Å; H26-D29 PolarHBondContact O-N 3.36Å; H26-S30 PolarHBondContact O-N 2.95Å; H26-S30 PolarHBondContact O-OG 3.29Å; H26-S30 VanDerWaalsContact O-OG 3.06Å
27I89.1Confident88.3Confident61 Ų6196.6 Ų96.631%0.31348%0.477SS..Hα-helixtrans-60.4-42.8175-71.2167.7000111.5R23 R24 H25 D29 S30 F31R23-I27 HydrophobicContact CG-CD1 4.18Å; R23-I27 WeakPolarHBondContact O-CG1 3.4Å; R23-I27 PolarHBondContact O-N 3.4Å; R24-I27 PolarHBondContact O-N 3.26Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 3.32Å; I27-D29 VanDerWaalsContact C-N 3.28Å; I27-D29 PolarHBondContact O-N 3.07Å; I27-S30 PolarHBondContact O-N 3.38Å; I27-F31 HydrophobicContact CG2-CD2 3.53Å; I27-F31 HydrophobicContact CG2-CE2 3.28Å; I27-F31 HydrophobicContact CG2-CZ 4.42Å; I27-F31 WeakPolarHBondContact O-CD2 3.49Å; I27-F31 PolarHBondContact O-N 3.2Å
28K85.3Confident87.3Confident140 Ų14094.4 Ų94.461%0.60947%0.465SS*.Hα-helixtrans-60.4-40.7177.4-174.2-175.6176.5-171.90111.1R24 H25 H26 F31 A32R24-K28 WeakPolarHBondContact O-CB 3.37Å; R24-K28 PolarHBondContact O-N 3.29Å; H25-K28 WeakPolarHBondContact O-CB 3.43Å; H25-K28 PolarHBondContact O-N 3.45Å; H25-K28 VanDerWaalsContact O-N 3.07Å; H26-K28 VanDerWaalsContact C-N 3.33Å; H26-K28 PolarHBondContact O-N 3.41Å; K28-F31 PolarHBondContact O-N 3.42Å; K28-A32 PolarHBondContact O-N 2.87Å
29D87.3Confident86.2Confident69 Ų6995.8 Ų95.837%0.36947%0.47SS..Hα-helixtrans-69.4-44179.3-61-14.9000110.9H25 H26 I27 F31 A32 T33H25-D29 IonicContact CE1-OD1 2.79Å; H25-D29 PolarHBondContact CE1-OD1 3.28Å; H25-D29 VanDerWaalsContact CE1-OD1 3.26Å; H25-D29 IonicContact CE1-OD2 3.75Å; H25-D29 PolarHBondContact CE1-OD2 2.97Å; H25-D29 IonicContact ND1-OD1 3.22Å; H25-D29 PolarHBondContact ND1-OD1 2.97Å; H25-D29 IonicContact ND1-OD2 2.78Å; H25-D29 PolarHBondContact ND1-OD2 3.35Å; H25-D29 IonicContact NE2-OD2 3.44Å; H25-D29 VanDerWaalsContact O-CG 3.29Å; H25-D29 PolarHBondContact O-N 2.89Å; H26-D29 PolarHBondContact O-N 3.36Å; I27-D29 VanDerWaalsContact C-N 3.28Å; I27-D29 PolarHBondContact O-N 3.07Å; D29-F31 PolarHBondContact O-N 2.95Å; D29-A32 WeakPolarHBondContact O-CB 3.48Å; D29-A32 PolarHBondContact O-N 3.45Å; D29-T33 PolarHBondContact O-N 3.5Å; D29-T33 PolarHBondContact O-OG1 3.02Å
30S87.5Confident84.6Confident64 Ų6497.5 Ų97.545%0.44848%0.484SS..Hα-helixtrans-56.7-40.3172.7-51.30000111.9H26 I27 T33 L34H26-S30 PolarHBondContact O-N 2.95Å; H26-S30 PolarHBondContact O-OG 3.29Å; H26-S30 VanDerWaalsContact O-OG 3.06Å; I27-S30 PolarHBondContact O-N 3.38Å; S30-T33 PolarHBondContact O-N 3.36Å; S30-L34 PolarHBondContact O-N 3.47Å
31F81.4Confident82.7Confident47 Ų4799.7 Ų99.721%0.20651%0.505CS..Hα-helixtrans-68.4-31.5175.1-80-55.4000113.7I27 K28 D29 L34 R35 L51I27-F31 HydrophobicContact CG2-CD2 3.53Å; I27-F31 HydrophobicContact CG2-CE2 3.28Å; I27-F31 HydrophobicContact CG2-CZ 4.42Å; I27-F31 WeakPolarHBondContact O-CD2 3.49Å; I27-F31 PolarHBondContact O-N 3.2Å; K28-F31 PolarHBondContact O-N 3.42Å; D29-F31 PolarHBondContact O-N 2.95Å; F31-L34 HydrophobicContact CD1-CD2 4.44Å; F31-R35 PolarHBondContact O-N 3.03Å; F31-R35 VanDerWaalsContact O-N 3.07Å; F31-L51 HydrophobicContact CE1-CD1 4.16Å; F31-L51 HydrophobicContact CE1-CD2 3.73Å; F31-L51 HydrophobicContact CE1-CG 3.64Å; F31-L51 HydrophobicContact CZ-CD1 4.08Å; F31-L51 HydrophobicContact CZ-CD2 4.36Å; F31-L51 HydrophobicContact CZ-CG 4.08Å
32A80.7Confident80.7Confident60 Ų6097.7 Ų97.750%0.49650%0.503SS..Hα-helixtrans-67.6-45.3175.400000110.7K28 D29 L34 R35 A36K28-A32 PolarHBondContact O-N 2.87Å; D29-A32 WeakPolarHBondContact O-CB 3.48Å; D29-A32 PolarHBondContact O-N 3.45Å; A32-L34 PolarHBondContact O-N 3.3Å; A32-R35 PolarHBondContact O-N 3.41Å; A32-A36 PolarHBondContact O-N 3.42Å; A32-A36 VanDerWaalsContact O-N 3.11Å
33T82.3Confident78.8Confident83 Ų8395.8 Ų95.851%0.50950%0.503SS..Hα-helixtrans-59.7-45.1174.5-55.50000111.6D29 S30 R35 A36 M37D29-T33 PolarHBondContact O-N 3.5Å; D29-T33 PolarHBondContact O-OG1 3.02Å; S30-T33 PolarHBondContact O-N 3.36Å; T33-R35 VanDerWaalsContact C-N 3.31Å; T33-R35 PolarHBondContact O-N 2.97Å; T33-A36 PolarHBondContact O-N 3.06Å; T33-M37 HydrophobicContact CG2-CE 3.91Å; T33-M37 PolarHBondContact O-N 3.33Å
34L80.2Confident76.7Confident55 Ų5593.7 Ų93.729%0.28851%0.507SS..Hα-helixtrans-60-40.6176.4-175.166.4000112S30 F31 A32 A36 M37 L38 A54S30-L34 PolarHBondContact O-N 3.47Å; F31-L34 HydrophobicContact CD1-CD2 4.44Å; A32-L34 PolarHBondContact O-N 3.3Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 2.96Å; L34-M37 PolarHBondContact O-N 3.15Å; L34-L38 PolarHBondContact O-N 3.38Å; L34-A54 HydrophobicContact CD1-CB 4.28Å; L34-A54 HydrophobicContact CD2-CB 3.87Å; L34-A54 HydrophobicContact CG-CB 4.21Å
35R75.8Confident74.7Confident101 Ų10197.5 Ų97.538%0.38152%0.521SS..Hα-helixtrans-62.8-39.7177.2177.9177.6168.192.5-1.3112F31 A32 T33 M37 L38 M42F31-R35 PolarHBondContact O-N 3.03Å; F31-R35 VanDerWaalsContact O-N 3.07Å; A32-R35 PolarHBondContact O-N 3.41Å; T33-R35 VanDerWaalsContact C-N 3.31Å; T33-R35 PolarHBondContact O-N 2.97Å; R35-M37 PolarHBondContact O-N 2.96Å; R35-L38 PolarHBondContact O-N 3.5Å; R35-L38 VanDerWaalsContact O-N 3.08Å; R35-M42 PolarHBondContact NH1-O 3.45Å
36A77.3Confident72.7Confident90 Ų9097 Ų9774%0.74453%0.526SS*.Hα-helixtrans-62.9-24178.600000112.7A32 T33 L34A32-A36 PolarHBondContact O-N 3.42Å; A32-A36 VanDerWaalsContact O-N 3.11Å; T33-A36 PolarHBondContact O-N 3.06Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 2.96Å
37M80.2Confident71.3Confident133 Ų13393.9 Ų93.966%0.65552%0.519SS*.THydrogen-bonded Turntrans-84.8-12.4176.1-61.6177.3-178.600113.8T33 L34 R35T33-M37 HydrophobicContact CG2-CE 3.91Å; T33-M37 PolarHBondContact O-N 3.33Å; L34-M37 PolarHBondContact O-N 3.15Å; R35-M37 PolarHBondContact O-N 2.96Å
38L75.4Confident69.9Low29 Ų2996.1 Ų96.115%0.15254%0.538CS..SBendtrans-92.9138.9179.9-62.5172.7000110.3L34 R35 T40 A54 Y57L34-L38 PolarHBondContact O-N 3.38Å; R35-L38 PolarHBondContact O-N 3.5Å; R35-L38 VanDerWaalsContact O-N 3.08Å; L38-T40 PolarHBondContact O-N 3.02Å; L38-A54 HydrophobicContact CD1-CB 4.03Å; L38-A54 HydrophobicContact CD2-CB 4.15Å; L38-Y57 HydrophobicContact CD2-CD1 3.58Å; L38-Y57 HydrophobicContact CD2-CE1 4.45Å; L38-Y57 HydrophobicContact CD2-CG 3.83Å
39P71Confident68.8Low86 Ų8694.5 Ų94.556%0.55853%0.532SS*.  trans-60.4123.217622.7-30.5000110.3S41 Y57P39-S41 PolarHBondContact O-N 3.14Å; P39-Y57 HydrophobicContact CG-CD2 3.8Å; P39-Y57 HydrophobicContact CG-CE2 3.56Å
40T61Low67.7Low127 Ų12795 Ų9578%0.77953%0.528SS*.SBendtrans-71.187.9-172.239.40000112L38L38-T40 PolarHBondContact O-N 3.02Å
41S57Low66.9Low93 Ų9396.2 Ų96.265%0.6553%0.529SS*.  trans-134.84159.584.80000115.4P39P39-S41 PolarHBondContact O-N 3.14Å
42M52.5Low66.5Low113 Ų11398.8 Ų98.856%0.55754%0.544SS*.SBendtrans-107.8107.7-179.6-62.9-69.613900110.6R35R35-M42 PolarHBondContact NH1-O 3.45Å
43E54.1Low66.1Low159 Ų15997 Ų9774%0.74353%0.529SS*.  trans-48.4148.7176.4-77.8-173.4141.200112.8R45E43-R45 PolarHBondContact O-N 3.47Å
44P53.3Low66Low92 Ų9293.4 Ų93.460%0.59751%0.507SS*.  trans-87.984.3-167.335.9-32000110.4
45R51Low66Low202 Ų20296.1 Ų96.176%0.76252%0.521SS*.  trans-127.2125.8158.7-56.3-168.7-148.4-1528.3108.7E43E43-R45 PolarHBondContact O-N 3.47Å
46V52.4Low66.2Low105 Ų10596 Ų9664%0.63653%0.528SS*.  trans69.7136.5172.3-69.20000120.6F49 R50V46-F49 HydrophobicContact CG2-CB 4.34Å; V46-R50 PolarHBondContact O-NE 2.93Å
47S61.7Low66.4Low63 Ų6395.8 Ų95.844%0.44151%0.508SS..SBendtrans-73.9-30.2-175.656.10000114.5R50S47-R50 WeakPolarHBondContact O-CB 3.47Å; S47-R50 PolarHBondContact O-N 2.94Å
48C60.6Low66.6Low107 Ų10794 Ų9472%0.72350%0.5SS*.Hα-helixtrans-70.3-35178.7-81.10000112.9R50C48-R50 PolarHBondContact O-N 3.4Å; C48-R50 VanDerWaalsContact O-N 3.17Å
49F61.5Low67Low107 Ų10797.9 Ų97.947%0.46952%0.516SS..Hα-helixtrans-67.1-15.3176.6-162.1-98.4000112.3V46 L52 S53V46-F49 HydrophobicContact CG2-CB 4.34Å; F49-L52 HydrophobicContact CD2-CD2 4.01Å; F49-L52 HydrophobicContact CE2-CD2 3.92Å; F49-L52 PolarHBondContact O-N 3.23Å; F49-S53 WeakPolarHBondContact CD1-OG 3.36Å; F49-S53 WeakPolarHBondContact O-CB 3.46Å; F49-S53 PolarHBondContact O-N 3.44Å; F49-S53 PolarHBondContact O-OG 3.22Å
50R65.6Low67.6Low79 Ų7997.5 Ų97.530%0.29851%0.509SS..Hα-helixtrans-74.4-40.5-178.1-58.6176.9-166.1161.41.1113.1V46 S47 C48 L52 S53 A54V46-R50 PolarHBondContact O-NE 2.93Å; S47-R50 WeakPolarHBondContact O-CB 3.47Å; S47-R50 PolarHBondContact O-N 2.94Å; C48-R50 PolarHBondContact O-N 3.4Å; C48-R50 VanDerWaalsContact O-N 3.17Å; R50-L52 VanDerWaalsContact C-N 3.3Å; R50-S53 PolarHBondContact O-N 2.87Å; R50-A54 PolarHBondContact O-N 3.3Å
51L70.7Confident68.6Low89 Ų8995.5 Ų95.547%0.46649%0.494SS..Hα-helixtrans-62.6-43.1170.5-76.9171.4000110.3F31 S53 A54 L55F31-L51 HydrophobicContact CE1-CD1 4.16Å; F31-L51 HydrophobicContact CE1-CD2 3.73Å; F31-L51 HydrophobicContact CE1-CG 3.64Å; F31-L51 HydrophobicContact CZ-CD1 4.08Å; F31-L51 HydrophobicContact CZ-CD2 4.36Å; F31-L51 HydrophobicContact CZ-CG 4.08Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 3.16Å; L51-A54 PolarHBondContact O-N 3.01Å; L51-L55 WeakPolarHBondContact O-CB 3.38Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 3.48Å
52L72.9Confident69.9Low101 Ų10196.1 Ų96.153%0.52950%0.497SS..Hα-helixtrans-61.8-40.6177.5-168.166.1000111.7F49 R50 L55 L56F49-L52 HydrophobicContact CD2-CD2 4.01Å; F49-L52 HydrophobicContact CE2-CD2 3.92Å; F49-L52 PolarHBondContact O-N 3.23Å; R50-L52 VanDerWaalsContact C-N 3.3Å; L52-L55 PolarHBondContact O-N 3.4Å; L52-L56 VanDerWaalsContact O-CB 3.32Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 PolarHBondContact O-N 2.87Å
53S72.6Confident71.3Confident24 Ų2498.9 Ų98.917%0.16850%0.501CS..Hα-helixtrans-64.1-44176.2-56.40000111.8F49 R50 L51 L56 Y57F49-S53 WeakPolarHBondContact CD1-OG 3.36Å; F49-S53 WeakPolarHBondContact O-CB 3.46Å; F49-S53 PolarHBondContact O-N 3.44Å; F49-S53 PolarHBondContact O-OG 3.22Å; R50-S53 PolarHBondContact O-N 2.87Å; L51-S53 VanDerWaalsContact C-N 3.31Å; L51-S53 PolarHBondContact O-N 3.16Å; S53-L56 PolarHBondContact O-N 2.78Å; S53-Y57 WeakPolarHBondContact O-CB 3.33Å; S53-Y57 PolarHBondContact O-N 2.79Å
54A78.7Confident72.3Confident7 Ų797 Ų976%0.05850%0.496CS..Hα-helixtrans-63.7-45.3175.800000112.1L34 L38 R50 L51 L56 Y57 I58L34-A54 HydrophobicContact CD1-CB 4.28Å; L34-A54 HydrophobicContact CD2-CB 3.87Å; L34-A54 HydrophobicContact CG-CB 4.21Å; L38-A54 HydrophobicContact CD1-CB 4.03Å; L38-A54 HydrophobicContact CD2-CB 4.15Å; R50-A54 PolarHBondContact O-N 3.3Å; L51-A54 PolarHBondContact O-N 3.01Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.29Å; A54-Y57 PolarHBondContact O-N 3.18Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.26Å
55L81.2Confident73Confident111 Ų11197.9 Ų97.958%0.58150%0.501SS*.Hα-helixtrans-61.2-42.5176.3-73171.6000111.7L51 L52 Y57 I58 K59L51-L55 WeakPolarHBondContact O-CB 3.38Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 3.48Å; L52-L55 PolarHBondContact O-N 3.4Å; L55-Y57 VanDerWaalsContact C-N 3.35Å; L55-I58 PolarHBondContact O-N 3.06Å; L55-K59 WeakPolarHBondContact O-CB 3.36Å; L55-K59 PolarHBondContact O-N 3.31Å
56L80Confident73.7Confident100 Ų10092.9 Ų92.952%0.52450%0.503SS..Hα-helixtrans-64-41.5176.9-174.465.4000111.4L52 S53 A54 K59 N60L52-L56 VanDerWaalsContact O-CB 3.32Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 PolarHBondContact O-N 2.87Å; S53-L56 PolarHBondContact O-N 2.78Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.29Å; L56-K59 PolarHBondContact O-N 3.4Å; L56-N60 WeakPolarHBondContact O-CB 3.4Å; L56-N60 PolarHBondContact O-N 2.97Å; L56-N60 PolarHBondContact O-ND2 2.83Å
57Y81.6Confident74.1Confident84 Ų8498.7 Ų98.733%0.32951%0.513SS..Hα-helixtrans-62.5-49.7176.7-179.2-116000111.8L38 P39 S53 A54 L55 K59 N60 L61L38-Y57 HydrophobicContact CD2-CD1 3.58Å; L38-Y57 HydrophobicContact CD2-CE1 4.45Å; L38-Y57 HydrophobicContact CD2-CG 3.83Å; P39-Y57 HydrophobicContact CG-CD2 3.8Å; P39-Y57 HydrophobicContact CG-CE2 3.56Å; S53-Y57 WeakPolarHBondContact O-CB 3.33Å; S53-Y57 PolarHBondContact O-N 2.79Å; A54-Y57 PolarHBondContact O-N 3.18Å; L55-Y57 VanDerWaalsContact C-N 3.35Å; Y57-K59 VanDerWaalsContact C-N 3.31Å; Y57-K59 PolarHBondContact O-N 3.42Å; Y57-N60 PolarHBondContact O-N 3.5Å; Y57-N60 VanDerWaalsContact O-N 3.14Å; Y57-L61 HydrophobicContact CD1-CD1 3.9Å; Y57-L61 HydrophobicContact CE1-CD1 3.43Å; Y57-L61 VanDerWaalsContact CE1-CD1 3.43Å; Y57-L61 HydrophobicContact CE1-CG 4.18Å; Y57-L61 HydrophobicContact CE2-CD1 4.29Å; Y57-L61 HydrophobicContact CE2-CD2 4.28Å; Y57-L61 HydrophobicContact CE2-CG 4.17Å; Y57-L61 WeakPolarHBondContact O-CG 3.43Å; Y57-L61 PolarHBondContact O-N 2.83Å
58I84.3Confident74Confident95 Ų95101.7 Ų101.749%0.48753%0.531SS..Hα-helixtrans-58.8-45.3176-66.9166.2000110.4A54 L55 N60 L61 C62A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.26Å; L55-I58 PolarHBondContact O-N 3.06Å; I58-N60 VanDerWaalsContact C-N 3.28Å; I58-N60 PolarHBondContact O-N 2.96Å; I58-L61 PolarHBondContact O-N 3.07Å; I58-C62 PolarHBondContact O-N 3.47Å; I58-C62 PolarHBondContact O-SG 3.41Å
59K83.8Confident74.4Confident111 Ų111110 Ų11048%0.48356%0.555SS.*Hα-helixtrans-59.4-37.9177.6-175.8176.9-177.4173.70112.5L55 L56 Y57 R63L55-K59 WeakPolarHBondContact O-CB 3.36Å; L55-K59 PolarHBondContact O-N 3.31Å; L56-K59 PolarHBondContact O-N 3.4Å; Y57-K59 VanDerWaalsContact C-N 3.31Å; Y57-K59 PolarHBondContact O-N 3.42Å; K59-R63 VanDerWaalsContact CE-NH1 3.34Å; K59-R63 WeakPolarHBondContact O-CG 3.49Å; K59-R63 PolarHBondContact O-N 3.13Å
60N83.3Confident75Confident78 Ų78110.1 Ų110.142%0.41756%0.56SS.*Hα-helixtrans-71.8-41.6176.3-75-29.2000111.7L56 Y57 I58 C62 R63 L64L56-N60 WeakPolarHBondContact O-CB 3.4Å; L56-N60 PolarHBondContact O-N 2.97Å; L56-N60 PolarHBondContact O-ND2 2.83Å; Y57-N60 PolarHBondContact O-N 3.5Å; Y57-N60 VanDerWaalsContact O-N 3.14Å; I58-N60 VanDerWaalsContact C-N 3.28Å; I58-N60 PolarHBondContact O-N 2.96Å; N60-C62 VanDerWaalsContact C-N 3.32Å; N60-C62 PolarHBondContact O-N 3.02Å; N60-R63 PolarHBondContact O-N 3.1Å; N60-L64 PolarHBondContact O-N 3.06Å
61L82.6Confident75.5Confident86 Ų86111.7 Ų111.745%0.4557%0.573SS.*Hα-helixtrans-58.5-43.7174.8-72.6175.7000111.9Y57 I58 R63 L64Y57-L61 HydrophobicContact CD1-CD1 3.9Å; Y57-L61 HydrophobicContact CE1-CD1 3.43Å; Y57-L61 VanDerWaalsContact CE1-CD1 3.43Å; Y57-L61 HydrophobicContact CE1-CG 4.18Å; Y57-L61 HydrophobicContact CE2-CD1 4.29Å; Y57-L61 HydrophobicContact CE2-CD2 4.28Å; Y57-L61 HydrophobicContact CE2-CG 4.17Å; Y57-L61 WeakPolarHBondContact O-CG 3.43Å; Y57-L61 PolarHBondContact O-N 2.83Å; I58-L61 PolarHBondContact O-N 3.07Å; L61-R63 PolarHBondContact O-N 3.44Å; L61-L64 HydrophobicContact CD2-CD1 4.41Å; L61-L64 PolarHBondContact O-N 3.44Å
62C84.2Confident75.8Confident105 Ų105113 Ų11371%0.70958%0.579SS**THydrogen-bonded Turntrans-67.2-13.8177.3-63.50000114.2I58 N60I58-C62 PolarHBondContact O-N 3.47Å; I58-C62 PolarHBondContact O-SG 3.41Å; N60-C62 VanDerWaalsContact C-N 3.32Å; N60-C62 PolarHBondContact O-N 3.02Å
63R82.1Confident76Confident171 Ų171113.7 Ų113.765%0.64558%0.582SS**THydrogen-bonded Turntrans-95.9-12178.7-80.4179.4168.4160.8-8113.9K59 N60 L61K59-R63 VanDerWaalsContact CE-NH1 3.34Å; K59-R63 WeakPolarHBondContact O-CG 3.49Å; K59-R63 PolarHBondContact O-N 3.13Å; N60-R63 PolarHBondContact O-N 3.1Å; L61-R63 PolarHBondContact O-N 3.44Å
64L74.2Confident76.2Confident121 Ų121119.3 Ų119.363%0.63461%0.608SS**SBendtrans-73.2128.7178.2-67.4172.6000108.8N60 L61 A66N60-L64 PolarHBondContact O-N 3.06Å; L61-L64 HydrophobicContact CD2-CD1 4.41Å; L61-L64 PolarHBondContact O-N 3.44Å; L64-A66 PolarHBondContact O-N 3.34Å
65P68.6Low76Confident110 Ų110126.8 Ų126.871%0.71465%0.645SS**PPolyproline II helixtrans-60.4134.4169.726.6-32000107.7R67P65-R67 PolarHBondContact O-N 3.37Å
66A66.1Low75.6Confident96 Ų96127.9 Ų127.979%0.79365%0.65SS**PPolyproline II helixtrans-51.9117.6174.100000107.6L64 P68L64-A66 PolarHBondContact O-N 3.34Å; A66-P68 WeakPolarHBondContact O-CD 3.42Å
67R60Low75.3Confident227 Ų227130.1 Ų130.186%0.85766%0.659SS**PPolyproline II helixtrans-60.6125.7-179.5-69.2-165.2-175.8-144.93.2107.3P65 F69P65-R67 PolarHBondContact O-N 3.37Å; R67-F69 PolarHBondContact O-N 3.22Å
68P60.8Low74.8Confident126 Ų126133.9 Ų133.982%0.81869%0.687SS**PPolyproline II helixtrans-63.9131.1172.127-30.2000107.6A66A66-P68 WeakPolarHBondContact O-CD 3.42Å
69F67.7Low73.9Confident281 Ų281137.5 Ų137.5100%1.23271%0.705SS**  trans-63.30173.4-75.8-84.6000111.1R67R67-F69 PolarHBondContact O-N 3.22Å

Retrieved 69 of 69 residues in 20.7 ms (Link to these results)