A0A077ZM04_TRITR Loading...

Lipase

AlphaFold DB , UniProt , Accession A0A077ZM04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 62 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
1M69.1Low87.5Confident179 Ų17996.8 Ų96.888%0.88251%0.513SS*.  01490-63.1179.88400106.7T3 H29M1-T3 PolarHBondContact O-N 3.48Å; M1-H29 HydrophobicContact CE-CB 3.57Å
2A85.3Confident87.7Confident66 Ų6692.5 Ų92.555%0.54549%0.49SS..  trans-75.491.7177.500000109.6V7A2-V7 HydrophobicContact CB-CG2 4.04Å
3T89.6Confident87.9Confident52 Ų5291.9 Ų91.932%0.31950%0.498SS..  trans-72.9153.3173.760.10000109.8M1 E5 D6 V7M1-T3 PolarHBondContact O-N 3.48Å; T3-E5 PolarHBondContact O-N 3.02Å; T3-D6 PolarHBondContact O-N 3.29Å; T3-D6 WeakPolarHBondContact OG1-CB 3Å; T3-D6 PolarHBondContact OG1-N 2.8Å; T3-D6 PolarHBondContact OG1-OD2 3.18Å; T3-V7 WeakPolarHBondContact O-CG2 3.1Å; T3-V7 PolarHBondContact O-N 3.04Å
4P88.8Confident88.2Confident75 Ų7595.6 Ų95.649%0.48751%0.51SS..Hα-helixtrans-53-41.7175-2736000112.5D6 V7 E8P4-D6 PolarHBondContact O-N 3.36Å; P4-V7 PolarHBondContact O-N 3.06Å; P4-E8 WeakPolarHBondContact O-CG 3.42Å; P4-E8 PolarHBondContact O-N 3.45Å
5E90.1Very high88.5Confident115 Ų11595.4 Ų95.454%0.53751%0.508SS..Hα-helixtrans-65.4-40.3-179.2-61.278.4-172.200112.5T3 R9T3-E5 PolarHBondContact O-N 3.02Å; E5-R9 WeakPolarHBondContact O-CB 3.37Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 3.07Å
6D90.4Very high88.8Confident92 Ų9296.8 Ų96.849%0.49252%0.524SS..Hα-helixtrans-68.6-41.2177.4-74.2-21.7000110.7T3 P4 R9 S10T3-D6 PolarHBondContact O-N 3.29Å; T3-D6 WeakPolarHBondContact OG1-CB 3Å; T3-D6 PolarHBondContact OG1-N 2.8Å; T3-D6 PolarHBondContact OG1-OD2 3.18Å; P4-D6 PolarHBondContact O-N 3.36Å; D6-R9 PolarHBondContact O-N 3.44Å; D6-S10 VanDerWaalsContact O-CB 3.25Å; D6-S10 WeakPolarHBondContact O-CB 3.47Å; D6-S10 PolarHBondContact O-N 3.35Å; D6-S10 PolarHBondContact O-OG 2.97Å
7V90.7Very high89Confident48 Ų4899.5 Ų99.529%0.29154%0.538SS..Iπ-helixtrans-61.5-46.5177.41730000110.5A2 T3 P4 V11 L12A2-V7 HydrophobicContact CB-CG2 4.04Å; T3-V7 WeakPolarHBondContact O-CG2 3.1Å; T3-V7 PolarHBondContact O-N 3.04Å; P4-V7 PolarHBondContact O-N 3.06Å; V7-V11 WeakPolarHBondContact O-CA 3.5Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 PolarHBondContact O-N 3.12Å; V7-L12 HydrophobicContact CG1-CD1 4.33Å; V7-L12 HydrophobicContact CG1-CG 4.13Å; V7-L12 PolarHBondContact O-N 2.94Å
8E90.6Very high89.2Confident113 Ų11398.2 Ų98.253%0.52853%0.53SS..Iπ-helixtrans-61-49.4177.7-75.3178.1-170.800112.3P4 L12 S13P4-E8 WeakPolarHBondContact O-CG 3.42Å; P4-E8 PolarHBondContact O-N 3.45Å; E8-L12 HydrophobicContact CG-CD1 4.1Å; E8-S13 PolarHBondContact O-N 2.99Å
9R90.9Very high89.3Confident203 Ų20398.9 Ų98.977%0.76654%0.538SS*.Iπ-helixtrans-77.7-33.8-172.9-70.5-179.6176.2-163.9-0113.7E5 D6 S13E5-R9 WeakPolarHBondContact O-CB 3.37Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 3.07Å; D6-R9 PolarHBondContact O-N 3.44Å; R9-S13 PolarHBondContact O-OG 3.27Å
10S88.6Confident89.3Confident57 Ų5798.3 Ų98.340%0.39953%0.531SS..Iπ-helixtrans-100-37.8-173.671.50000113.5D6 Q14D6-S10 VanDerWaalsContact O-CB 3.25Å; D6-S10 WeakPolarHBondContact O-CB 3.47Å; D6-S10 PolarHBondContact O-N 3.35Å; D6-S10 PolarHBondContact O-OG 2.97Å; S10-Q14 VanDerWaalsContact O-CG 3.26Å; S10-Q14 WeakPolarHBondContact O-CG 3.28Å; S10-Q14 PolarHBondContact O-NE2 3.44Å
11V88.7Confident89.4Confident65 Ų6598.5 Ų98.539%0.39453%0.53SS..Iπ-helixtrans-100.2-58.9-173.2-176.80000110.1V7 S13 Q14 L15V7-V11 WeakPolarHBondContact O-CA 3.5Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 PolarHBondContact O-N 3.12Å; V11-S13 VanDerWaalsContact C-N 3.29Å; V11-S13 PolarHBondContact O-N 3.42Å; V11-Q14 PolarHBondContact O-N 3.26Å; V11-L15 HydrophobicContact CG1-CD1 3.53Å; V11-L15 HydrophobicContact CG1-CG 4.16Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.03Å; V11-L15 VanDerWaalsContact O-N 3.14Å
12L89.9Confident90.5Very high45 Ų4596.1 Ų96.124%0.23652%0.516CS..Iπ-helixtrans-65.8-34.3-171.5-57.5-179.6000112.5V7 E8 Q14 I18 M21V7-L12 HydrophobicContact CG1-CD1 4.33Å; V7-L12 HydrophobicContact CG1-CG 4.13Å; V7-L12 PolarHBondContact O-N 2.94Å; E8-L12 HydrophobicContact CG-CD1 4.1Å; L12-Q14 PolarHBondContact O-N 3.43Å; L12-I18 HydrophobicContact CB-CD1 4.33Å; L12-I18 HydrophobicContact CD2-CD1 3.83Å; L12-M21 HydrophobicContact CD1-CE 3.35Å; L12-M21 HydrophobicContact CD1-SD 3.49Å; L12-M21 WeakPolarHBondContact CD1-SD 3.49Å; L12-M21 HydrophobicContact CD2-CE 4.38Å; L12-M21 HydrophobicContact CD2-SD 3.78Å; L12-M21 HydrophobicContact CG-CE 4.49Å; L12-M21 HydrophobicContact CG-SD 4.3Å
13S90.4Very high90.8Very high85 Ų8598.1 Ų98.159%0.59452%0.518SS*.THydrogen-bonded Turntrans-68.4-20.4176.272.20000113.9E8 R9 V11E8-S13 PolarHBondContact O-N 2.99Å; R9-S13 PolarHBondContact O-OG 3.27Å; V11-S13 VanDerWaalsContact C-N 3.29Å; V11-S13 PolarHBondContact O-N 3.42Å
14Q92.3Very high91Very high143 Ų14397.5 Ų97.567%0.66851%0.512SS*.THydrogen-bonded Turntrans-105.8-17.7-172.9-63.6-169.847.100113.7S10 V11 L12 P16S10-Q14 VanDerWaalsContact O-CG 3.26Å; S10-Q14 WeakPolarHBondContact O-CG 3.28Å; S10-Q14 PolarHBondContact O-NE2 3.44Å; V11-Q14 PolarHBondContact O-N 3.26Å; L12-Q14 PolarHBondContact O-N 3.43Å; Q14-P16 VanDerWaalsContact O-CD 3.28Å; Q14-P16 WeakPolarHBondContact O-CD 3.37Å
15L92.3Very high91.2Very high93 Ų9399.2 Ų99.249%0.48753%0.526SS..  trans-88.1110.9-178.2-68178.5000110.8V11 N17 I18V11-L15 HydrophobicContact CG1-CD1 3.53Å; V11-L15 HydrophobicContact CG1-CG 4.16Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.03Å; V11-L15 VanDerWaalsContact O-N 3.14Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.31Å; L15-I18 HydrophobicContact CB-CD1 4.1Å; L15-I18 HydrophobicContact CB-CG1 3.67Å; L15-I18 HydrophobicContact CD1-CG1 4.29Å
16P92.5Very high91.4Very high117 Ų11798.3 Ų98.376%0.7653%0.525SS*.THydrogen-bonded Turntrans-72.2-25.6-175.528.2-35.2000113.6Q14Q14-P16 VanDerWaalsContact O-CD 3.28Å; Q14-P16 WeakPolarHBondContact O-CD 3.37Å
17N92.9Very high91.6Very high143 Ų14395.2 Ų95.277%0.76551%0.507SS*.THydrogen-bonded Turntrans-129.662.6-170.7-66.8-27.4000111.2L15 V19L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.31Å; N17-V19 PolarHBondContact O-N 2.84Å
18I91.8Very high91.7Very high76 Ų7695.6 Ų95.639%0.3951%0.512SS..  trans-71.4113.1172-60.6168.1000108L12 L15 M21L12-I18 HydrophobicContact CB-CD1 4.33Å; L12-I18 HydrophobicContact CD2-CD1 3.83Å; L15-I18 HydrophobicContact CB-CD1 4.1Å; L15-I18 HydrophobicContact CB-CG1 3.67Å; L15-I18 HydrophobicContact CD1-CG1 4.29Å; I18-M21 HydrophobicContact CG2-CB 4.17Å
19V91.2Very high91.8Very high113 Ų11395.3 Ų95.369%0.68551%0.511SS*.  trans-80.6-36.6179.3-177.10000111.2N17 F49N17-V19 PolarHBondContact O-N 2.84Å; V19-F49 HydrophobicContact CB-CE2 4.37Å; V19-F49 HydrophobicContact CB-CZ 4.39Å; V19-F49 HydrophobicContact CG1-CE2 3.73Å; V19-F49 HydrophobicContact CG1-CZ 3.95Å
20E90.7Very high92Very high85 Ų8590.1 Ų90.140%0.39750%0.498SS..  trans-154.6139.9-177.2-162.5162.715900110.2H22 F49 R52E20-H22 WeakPolarHBondContact CG-NE2 3.32Å; E20-H22 IonicContact OE1-CD2 3.59Å; E20-H22 IonicContact OE1-CE1 2.69Å; E20-H22 IonicContact OE1-NE2 3.12Å; E20-H22 PolarHBondContact OE1-NE2 2.85Å; E20-F49 HydrophobicContact CB-CE2 4.45Å; E20-F49 WeakPolarHBondContact OE2-CD2 3.3Å; E20-R52 IonicContact OE2-NH2 3.7Å; E20-R52 PolarHBondContact OE2-NH2 3.47Å; E20-R52 VanDerWaalsContact OE2-NH2 3.12Å
21M91.4Very high92.3Very high103 Ų10389.9 Ų89.951%0.50749%0.492SS..  trans-141.3129.9177178.2-172.2167.900109.5L12 I18L12-M21 HydrophobicContact CD1-CE 3.35Å; L12-M21 HydrophobicContact CD1-SD 3.49Å; L12-M21 WeakPolarHBondContact CD1-SD 3.49Å; L12-M21 HydrophobicContact CD2-CE 4.38Å; L12-M21 HydrophobicContact CD2-SD 3.78Å; L12-M21 HydrophobicContact CG-CE 4.49Å; L12-M21 HydrophobicContact CG-SD 4.3Å; I18-M21 HydrophobicContact CG2-CB 4.17Å
22H91.5Very high92.6Very high129 Ų12991.3 Ų91.360%0.59749%0.493SS*.  trans-125.5127.1175.3-66.6-93.6000109.4E20E20-H22 WeakPolarHBondContact CG-NE2 3.32Å; E20-H22 IonicContact OE1-CD2 3.59Å; E20-H22 IonicContact OE1-CE1 2.69Å; E20-H22 IonicContact OE1-NE2 3.12Å; E20-H22 PolarHBondContact OE1-NE2 2.85Å
23N91.9Very high92.9Very high108 Ų10894.5 Ų94.558%0.57851%0.509SS*.  trans-102.9114173.2-174.61.7000109.5
24L93.5Very high93.2Very high39 Ų3999.6 Ų99.620%0.20452%0.516CS..  trans-100.882.3175.5-59.7176.8000108.5D26 F27 F32 I42L24-D26 PolarHBondContact O-N 3.36Å; L24-D26 VanDerWaalsContact O-N 3.09Å; L24-F27 HydrophobicContact CB-CB 3.9Å; L24-F27 HydrophobicContact CB-CD1 4.38Å; L24-F27 HydrophobicContact CB-CD2 3.63Å; L24-F27 HydrophobicContact CB-CE2 4.23Å; L24-F27 HydrophobicContact CB-CG 3.71Å; L24-F27 HydrophobicContact CD1-CD1 3.81Å; L24-F27 HydrophobicContact CD1-CD2 4.05Å; L24-F27 HydrophobicContact CD1-CE1 3.78Å; L24-F27 HydrophobicContact CD1-CE2 3.98Å; L24-F27 HydrophobicContact CD1-CG 3.97Å; L24-F27 HydrophobicContact CD1-CZ 3.85Å; L24-F27 HydrophobicContact CG-CD2 4.36Å; L24-F27 HydrophobicContact CG-CG 4.48Å; L24-F27 WeakPolarHBondContact O-CB 3.41Å; L24-F27 PolarHBondContact O-N 3.24Å; L24-F32 HydrophobicContact CD1-CE1 4.42Å; L24-I42 HydrophobicContact CD1-CD1 4.2Å; L24-I42 HydrophobicContact CD1-CG1 3.93Å
25S92.1Very high93.4Very high111 Ų11193.3 Ų93.378%0.77649%0.489SS*.THydrogen-bonded Turntrans-62.3-20-17054.20000114.9
26D94.2Very high93.6Very high96 Ų9697.8 Ų97.851%0.51351%0.512SS..THydrogen-bonded Turntrans-98.73178.864.6-34.5000113.3L24 R37L24-D26 PolarHBondContact O-N 3.36Å; L24-D26 VanDerWaalsContact O-N 3.09Å; D26-R37 IonicContact OD2-CZ 3.51Å; D26-R37 IonicContact OD2-NH1 2.68Å; D26-R37 PolarHBondContact OD2-NH1 3.41Å; D26-R37 IonicContact OD2-NH2 3.44Å; D26-R37 PolarHBondContact OD2-NH2 2.69Å
27F94.8Very high93.8Very high27 Ų2797.5 Ų97.512%0.11850%0.496CS..  trans-87.8130.8175.1-85.2-131.1000111L24 D31 F32 R37 E41 I42L24-F27 HydrophobicContact CB-CB 3.9Å; L24-F27 HydrophobicContact CB-CD1 4.38Å; L24-F27 HydrophobicContact CB-CD2 3.63Å; L24-F27 HydrophobicContact CB-CE2 4.23Å; L24-F27 HydrophobicContact CB-CG 3.71Å; L24-F27 HydrophobicContact CD1-CD1 3.81Å; L24-F27 HydrophobicContact CD1-CD2 4.05Å; L24-F27 HydrophobicContact CD1-CE1 3.78Å; L24-F27 HydrophobicContact CD1-CE2 3.98Å; L24-F27 HydrophobicContact CD1-CG 3.97Å; L24-F27 HydrophobicContact CD1-CZ 3.85Å; L24-F27 HydrophobicContact CG-CD2 4.36Å; L24-F27 HydrophobicContact CG-CG 4.48Å; L24-F27 WeakPolarHBondContact O-CB 3.41Å; L24-F27 PolarHBondContact O-N 3.24Å; F27-D31 HydrophobicContact CB-CB 4.02Å; F27-D31 HydrophobicContact CD1-CB 3.33Å; F27-D31 HydrophobicContact CE1-CB 3.87Å; F27-D31 HydrophobicContact CG-CB 3.76Å; F27-F32 HydrophobicContact CB-CE2 3.99Å; F27-F32 HydrophobicContact CB-CZ 4.19Å; F27-F32 HydrophobicContact CD1-CE2 4.48Å; F27-R37 HydrophobicContact CZ-CB 4.13Å; F27-E41 HydrophobicContact CZ-CB 4.35Å; F27-I42 HydrophobicContact CD1-CD1 4.1Å; F27-I42 HydrophobicContact CE1-CD1 3.63Å; F27-I42 HydrophobicContact CE1-CG1 4.36Å
28S92.9Very high94Very high57 Ų5790.8 Ų90.840%0.39946%0.461SS..  trans-76.5171161.277.90000110.9L30 D31 F32S28-L30 PolarHBondContact O-N 2.95Å; S28-L30 PolarHBondContact OG-N 3.42Å; S28-D31 WeakPolarHBondContact CA-OD2 3.44Å; S28-D31 VanDerWaalsContact CB-OD2 3.22Å; S28-D31 WeakPolarHBondContact CB-OD2 3.4Å; S28-D31 PolarHBondContact N-OD2 3.45Å; S28-D31 PolarHBondContact O-N 3.31Å; S28-D31 PolarHBondContact OG-N 3.25Å; S28-D31 PolarHBondContact OG-OD2 3.46Å; S28-F32 WeakPolarHBondContact O-CD2 3.49Å; S28-F32 WeakPolarHBondContact O-CE2 3.49Å
29H92.4Very high94.3Very high107 Ų10789.1 Ų89.150%0.49546%0.462SS..THydrogen-bonded Turntrans-59.5-29.5176.7-167.766.6000113.5M1M1-H29 HydrophobicContact CE-CB 3.57Å
30L95Very high94.5Very high94 Ų9491.2 Ų91.249%0.49246%0.459SS..THydrogen-bonded Turntrans-83.7-21.5-179.2-65178000112.9S28 F32 I33 W34S28-L30 PolarHBondContact O-N 2.95Å; S28-L30 PolarHBondContact OG-N 3.42Å; L30-F32 PolarHBondContact O-N 3.34Å; L30-I33 PolarHBondContact O-N 2.95Å; L30-W34 HydrophobicContact CB-CE3 4.3Å; L30-W34 HydrophobicContact CD1-CE3 4.25Å; L30-W34 HydrophobicContact CD1-CZ3 4.14Å; L30-W34 HydrophobicContact CD2-CE3 4.12Å; L30-W34 HydrophobicContact CD2-CZ3 3.92Å; L30-W34 HydrophobicContact CG-CE3 4.46Å; L30-W34 PolarHBondContact O-N 3.36Å
31D96.3Very high94.8Very high51 Ų5189.8 Ų89.827%0.27345%0.452SS..Hα-helixtrans-65.3-24.6-177.9-69.8-55.7000112.3F27 S28 I33 G35 A38F27-D31 HydrophobicContact CB-CB 4.02Å; F27-D31 HydrophobicContact CD1-CB 3.33Å; F27-D31 HydrophobicContact CE1-CB 3.87Å; F27-D31 HydrophobicContact CG-CB 3.76Å; S28-D31 WeakPolarHBondContact CA-OD2 3.44Å; S28-D31 VanDerWaalsContact CB-OD2 3.22Å; S28-D31 WeakPolarHBondContact CB-OD2 3.4Å; S28-D31 PolarHBondContact N-OD2 3.45Å; S28-D31 PolarHBondContact O-N 3.31Å; S28-D31 PolarHBondContact OG-N 3.25Å; S28-D31 PolarHBondContact OG-OD2 3.46Å; D31-I33 PolarHBondContact O-N 2.88Å; D31-G35 WeakPolarHBondContact O-CA 3.26Å; D31-G35 PolarHBondContact O-N 3.01Å; D31-A38 WeakPolarHBondContact O-CB 3.39Å
32F95.4Very high95Very high95 Ų9586.3 Ų86.342%0.41744%0.435SS..Hα-helixtrans-63.7-18.4174.3-66.3-89000114.1L24 F27 S28 L30 I42 Y43L24-F32 HydrophobicContact CD1-CE1 4.42Å; F27-F32 HydrophobicContact CB-CE2 3.99Å; F27-F32 HydrophobicContact CB-CZ 4.19Å; F27-F32 HydrophobicContact CD1-CE2 4.48Å; S28-F32 WeakPolarHBondContact O-CD2 3.49Å; S28-F32 WeakPolarHBondContact O-CE2 3.49Å; L30-F32 PolarHBondContact O-N 3.34Å; F32-I42 HydrophobicContact CB-CD1 4.19Å; F32-I42 HydrophobicContact CD1-CD1 3.54Å; F32-I42 HydrophobicContact CE1-CD1 4.22Å; F32-I42 HydrophobicContact CG-CD1 4.13Å; F32-Y43 PolarHBondContact O-OH 2.85Å
33I95.6Very high95.3Very high113 Ų11385.5 Ų85.558%0.57943%0.428SS*.Hα-helixtrans-118.2-44.3180-54.5177.3000111.3L30 D31 Y43L30-I33 PolarHBondContact O-N 2.95Å; D31-I33 PolarHBondContact O-N 2.88Å; I33-Y43 WeakPolarHBondContact CA-OH 3.41Å; I33-Y43 PolarHBondContact O-OH 3.21Å; I33-Y43 VanDerWaalsContact O-OH 3.1Å
34W95.8Very high95.5Very high192 Ų19286.2 Ų86.273%0.72742%0.422SS*.Hα-helixtrans-113.3-0.3-171.1-62.4-27.6000114.5L30 L36L30-W34 HydrophobicContact CB-CE3 4.3Å; L30-W34 HydrophobicContact CD1-CE3 4.25Å; L30-W34 HydrophobicContact CD1-CZ3 4.14Å; L30-W34 HydrophobicContact CD2-CE3 4.12Å; L30-W34 HydrophobicContact CD2-CZ3 3.92Å; L30-W34 HydrophobicContact CG-CE3 4.46Å; L30-W34 PolarHBondContact O-N 3.36Å; W34-L36 PolarHBondContact O-N 3.29Å
35G96.1Very high95.6Very high11 Ų1186.3 Ų86.311%0.11343%0.425CS..  trans-63.8133.1178.300000110.7D31 R37 A38D31-G35 WeakPolarHBondContact O-CA 3.26Å; D31-G35 PolarHBondContact O-N 3.01Å; G35-R37 PolarHBondContact O-N 3.26Å; G35-R37 VanDerWaalsContact O-N 3.07Å; G35-A38 WeakPolarHBondContact O-CB 3.27Å; G35-A38 PolarHBondContact O-N 3Å
36L97.3Very high95.8Very high186 Ų18684.8 Ų84.897%0.97441%0.411SS*.THydrogen-bonded Turntrans-59.5-23.4176.5-63.2177.9000112.5W34W34-L36 PolarHBondContact O-N 3.29Å
37R97.4Very high95.8Very high112 Ų11286.2 Ų86.242%0.42342%0.415SS..THydrogen-bonded Turntrans-88.6-12.9177.3-68.2163.758.4-163.2-7.7113.6D26 F27 G35 G39 Y40 E41D26-R37 IonicContact OD2-CZ 3.51Å; D26-R37 IonicContact OD2-NH1 2.68Å; D26-R37 PolarHBondContact OD2-NH1 3.41Å; D26-R37 IonicContact OD2-NH2 3.44Å; D26-R37 PolarHBondContact OD2-NH2 2.69Å; F27-R37 HydrophobicContact CZ-CB 4.13Å; G35-R37 PolarHBondContact O-N 3.26Å; G35-R37 VanDerWaalsContact O-N 3.07Å; R37-G39 VanDerWaalsContact C-N 3.27Å; R37-G39 PolarHBondContact O-N 3.3Å; R37-Y40 PolarHBondContact O-N 2.65Å; R37-E41 IonicContact CZ-OE1 3.18Å; R37-E41 IonicContact CZ-OE2 3.62Å; R37-E41 IonicContact NE-OE1 2.66Å; R37-E41 PolarHBondContact NE-OE1 2.8Å; R37-E41 IonicContact NE-OE2 3.74Å; R37-E41 VanDerWaalsContact NH2-CD 3.26Å; R37-E41 IonicContact NH2-OE1 2.93Å; R37-E41 PolarHBondContact NH2-OE1 2.93Å; R37-E41 IonicContact NH2-OE2 2.8Å; R37-E41 PolarHBondContact NH2-OE2 2.66Å; R37-E41 PolarHBondContact O-N 3.03Å
38A97.2Very high95.8Very high2 Ų290.5 Ų90.52%0.01744%0.435CS..Hα-helixtrans-58.4-37.5-173.100000113D31 G35 Y40 I42 Y43D31-A38 WeakPolarHBondContact O-CB 3.39Å; G35-A38 WeakPolarHBondContact O-CB 3.27Å; G35-A38 PolarHBondContact O-N 3Å; A38-Y40 VanDerWaalsContact C-N 3.29Å; A38-Y40 PolarHBondContact O-N 3.14Å; A38-I42 HydrophobicContact CB-CD1 4.32Å; A38-I42 WeakPolarHBondContact O-CA 3.33Å; A38-I42 WeakPolarHBondContact O-CB 3.46Å; A38-I42 PolarHBondContact O-N 2.93Å; A38-Y43 HydrophobicContact CB-CE2 4.13Å; A38-Y43 PolarHBondContact O-N 2.93Å
39G96.7Very high95.8Very high40 Ų4091 Ų9141%0.41243%0.43SS..Iπ-helixtrans-59.5-38177.400000113.7R37 R44R37-G39 VanDerWaalsContact C-N 3.27Å; R37-G39 PolarHBondContact O-N 3.3Å; G39-R44 PolarHBondContact O-N 3.43Å
40Y96.7Very high95.8Very high158 Ų15890.8 Ų90.862%0.6243%0.431SS*.Iπ-helixtrans-87.9-40.7-179.3-178-103.4000112.5R37 A38 P45R37-Y40 PolarHBondContact O-N 2.65Å; A38-Y40 VanDerWaalsContact C-N 3.29Å; A38-Y40 PolarHBondContact O-N 3.14Å; Y40-P45 VanDerWaalsContact O-CD 3.27Å; Y40-P45 WeakPolarHBondContact O-CD 3.25Å
41E96.6Very high95.5Very high55 Ų5591.8 Ų91.826%0.25743%0.433SS..Iπ-helixtrans-94.2-16.5-170.3-66.4-176.2-144.300114.5F27 R37F27-E41 HydrophobicContact CZ-CB 4.35Å; R37-E41 IonicContact CZ-OE1 3.18Å; R37-E41 IonicContact CZ-OE2 3.62Å; R37-E41 IonicContact NE-OE1 2.66Å; R37-E41 PolarHBondContact NE-OE1 2.8Å; R37-E41 IonicContact NE-OE2 3.74Å; R37-E41 VanDerWaalsContact NH2-CD 3.26Å; R37-E41 IonicContact NH2-OE1 2.93Å; R37-E41 PolarHBondContact NH2-OE1 2.93Å; R37-E41 IonicContact NH2-OE2 2.8Å; R37-E41 PolarHBondContact NH2-OE2 2.66Å; R37-E41 PolarHBondContact O-N 3.03Å
42I96.1Very high95.2Very high30 Ų3096.1 Ų96.115%0.15445%0.446CS..Iπ-helixtrans-121.4-60.1179.6-59.5167.8000110.2L24 F27 F32 A38 R44 P45 V46L24-I42 HydrophobicContact CD1-CD1 4.2Å; L24-I42 HydrophobicContact CD1-CG1 3.93Å; F27-I42 HydrophobicContact CD1-CD1 4.1Å; F27-I42 HydrophobicContact CE1-CD1 3.63Å; F27-I42 HydrophobicContact CE1-CG1 4.36Å; F32-I42 HydrophobicContact CB-CD1 4.19Å; F32-I42 HydrophobicContact CD1-CD1 3.54Å; F32-I42 HydrophobicContact CE1-CD1 4.22Å; F32-I42 HydrophobicContact CG-CD1 4.13Å; A38-I42 HydrophobicContact CB-CD1 4.32Å; A38-I42 WeakPolarHBondContact O-CA 3.33Å; A38-I42 WeakPolarHBondContact O-CB 3.46Å; A38-I42 PolarHBondContact O-N 2.93Å; I42-R44 PolarHBondContact O-N 3.33Å; I42-P45 WeakPolarHBondContact O-CD 3.44Å; I42-V46 HydrophobicContact CG2-CG2 4.46Å; I42-V46 VanDerWaalsContact O-CG2 3.27Å; I42-V46 WeakPolarHBondContact O-CG2 3.18Å; I42-V46 PolarHBondContact O-N 3.32Å
43Y97Very high94.8Very high112 Ų11296.1 Ų96.144%0.43945%0.45SS..Iπ-helixtrans-68.5-40.1-168.3-53.7-26000112.6F32 I33 A38 V46 E47F32-Y43 PolarHBondContact O-OH 2.85Å; I33-Y43 WeakPolarHBondContact CA-OH 3.41Å; I33-Y43 PolarHBondContact O-OH 3.21Å; I33-Y43 VanDerWaalsContact O-OH 3.1Å; A38-Y43 HydrophobicContact CB-CE2 4.13Å; A38-Y43 PolarHBondContact O-N 2.93Å; Y43-V46 PolarHBondContact O-N 3.47Å; Y43-E47 WeakPolarHBondContact O-CB 3.27Å; Y43-E47 PolarHBondContact O-N 3.03Å
44R96.4Very high94.3Very high123 Ų12395.9 Ų95.946%0.46444%0.443SS..Hα-helixtrans-66.2-46.1176.5-178.7-179.6-66.3-1800.6112.8G39 I42 V46 E47 Q48G39-R44 PolarHBondContact O-N 3.43Å; I42-R44 PolarHBondContact O-N 3.33Å; R44-V46 VanDerWaalsContact C-N 3.31Å; R44-V46 PolarHBondContact O-N 2.99Å; R44-E47 WeakPolarHBondContact O-CB 3.33Å; R44-E47 PolarHBondContact O-N 3.27Å; R44-Q48 VanDerWaalsContact O-CG 3.3Å; R44-Q48 WeakPolarHBondContact O-CG 3.42Å; R44-Q48 PolarHBondContact O-N 2.97Å
45P95.7Very high93.5Very high40 Ų4094 Ų9426%0.2644%0.436SS..Hα-helixtrans-56.7-41.4170.4-3136.9000113.8Y40 I42 Q48 F49Y40-P45 VanDerWaalsContact O-CD 3.27Å; Y40-P45 WeakPolarHBondContact O-CD 3.25Å; I42-P45 WeakPolarHBondContact O-CD 3.44Å; P45-Q48 PolarHBondContact O-N 3.03Å; P45-F49 WeakPolarHBondContact O-CB 3.37Å; P45-F49 PolarHBondContact O-N 3.21Å
46V95.4Very high92.7Very high79 Ų7995.9 Ų95.948%0.47945%0.445SS..Hα-helixtrans-64-44.7176.1171.20000111.6I42 Y43 R44 Q48 F49 I50I42-V46 HydrophobicContact CG2-CG2 4.46Å; I42-V46 VanDerWaalsContact O-CG2 3.27Å; I42-V46 WeakPolarHBondContact O-CG2 3.18Å; I42-V46 PolarHBondContact O-N 3.32Å; Y43-V46 PolarHBondContact O-N 3.47Å; R44-V46 VanDerWaalsContact C-N 3.31Å; R44-V46 PolarHBondContact O-N 2.99Å; V46-Q48 VanDerWaalsContact C-N 3.34Å; V46-Q48 PolarHBondContact O-N 2.59Å; V46-F49 WeakPolarHBondContact O-CB 3.4Å; V46-F49 PolarHBondContact O-N 3.44Å; V46-I50 HydrophobicContact CG1-CD1 3.88Å; V46-I50 VanDerWaalsContact O-CG1 3.32Å; V46-I50 WeakPolarHBondContact O-CG1 3.49Å; V46-I50 PolarHBondContact O-N 3.46Å
47E95.2Very high91.2Very high127 Ų12790.7 Ų90.759%0.59343%0.429SS*.Hα-helixtrans-56.7-47.7173.7179-162.9-161.100111.2Y43 R44 F49 I50 H51Y43-E47 WeakPolarHBondContact O-CB 3.27Å; Y43-E47 PolarHBondContact O-N 3.03Å; R44-E47 WeakPolarHBondContact O-CB 3.33Å; R44-E47 PolarHBondContact O-N 3.27Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 2.68Å; E47-I50 PolarHBondContact O-N 3.01Å; E47-H51 WeakPolarHBondContact O-CB 3.44Å; E47-H51 PolarHBondContact O-N 2.82Å
48Q94.1Very high89.9Confident117 Ų11793.8 Ų93.855%0.54745%0.448SS..Hα-helixtrans-63.3-38.7178.5-71.5173.2-6.100112.1R44 P45 V46 H51 R52R44-Q48 VanDerWaalsContact O-CG 3.3Å; R44-Q48 WeakPolarHBondContact O-CG 3.42Å; R44-Q48 PolarHBondContact O-N 2.97Å; P45-Q48 PolarHBondContact O-N 3.03Å; V46-Q48 VanDerWaalsContact C-N 3.34Å; V46-Q48 PolarHBondContact O-N 2.59Å; Q48-H51 PolarHBondContact O-N 2.87Å; Q48-R52 WeakPolarHBondContact O-CB 3.44Å; Q48-R52 PolarHBondContact O-N 3.22Å
49F92.7Very high88.9Confident67 Ų6795.9 Ų95.929%0.29446%0.459SS..Hα-helixtrans-60.2-51.1174.1-175.1-82000111V19 E20 P45 V46 E47 H51 R52 D53V19-F49 HydrophobicContact CB-CE2 4.37Å; V19-F49 HydrophobicContact CB-CZ 4.39Å; V19-F49 HydrophobicContact CG1-CE2 3.73Å; V19-F49 HydrophobicContact CG1-CZ 3.95Å; E20-F49 HydrophobicContact CB-CE2 4.45Å; E20-F49 WeakPolarHBondContact OE2-CD2 3.3Å; P45-F49 WeakPolarHBondContact O-CB 3.37Å; P45-F49 PolarHBondContact O-N 3.21Å; V46-F49 WeakPolarHBondContact O-CB 3.4Å; V46-F49 PolarHBondContact O-N 3.44Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 2.68Å; F49-H51 VanDerWaalsContact C-N 3.32Å; F49-H51 PolarHBondContact O-N 3Å; F49-R52 VanDerWaalsContact CE2-NH2 3.25Å; F49-R52 PolarHBondContact O-N 3.09Å; F49-D53 WeakPolarHBondContact O-CB 3.33Å; F49-D53 PolarHBondContact O-N 2.95Å
50I92.2Very high87.3Confident102 Ų10299 Ų9952%0.52346%0.463SS..Hα-helixtrans-60.5-43.6178.1-67.2165.8000110.5V46 E47 R52 D53 Y54V46-I50 HydrophobicContact CG1-CD1 3.88Å; V46-I50 VanDerWaalsContact O-CG1 3.32Å; V46-I50 WeakPolarHBondContact O-CG1 3.49Å; V46-I50 PolarHBondContact O-N 3.46Å; E47-I50 PolarHBondContact O-N 3.01Å; I50-R52 PolarHBondContact O-N 3.05Å; I50-D53 PolarHBondContact O-N 3.1Å; I50-Y54 WeakPolarHBondContact O-CB 3.37Å; I50-Y54 PolarHBondContact O-N 3.04Å
51H90.6Very high85.8Confident116 Ų116102.5 Ų102.554%0.53748%0.475SS..Hα-helixtrans-60.6-46178.1-168.281.4000111.4E47 Q48 F49 D53 Y54 W55E47-H51 WeakPolarHBondContact O-CB 3.44Å; E47-H51 PolarHBondContact O-N 2.82Å; Q48-H51 PolarHBondContact O-N 2.87Å; F49-H51 VanDerWaalsContact C-N 3.32Å; F49-H51 PolarHBondContact O-N 3Å; H51-D53 VanDerWaalsContact C-N 3.31Å; H51-D53 PolarHBondContact O-N 3.15Å; H51-Y54 PolarHBondContact O-N 2.75Å; H51-W55 AromaticContact CD2-CD1 3.5Å; H51-W55 AromaticContact CD2-NE1 3.67Å; H51-W55 AromaticContact CE1-CD1 3.68Å; H51-W55 AromaticContact CE1-NE1 3.04Å; H51-W55 PolarHBondContact CE1-NE1 3.17Å; H51-W55 AromaticContact CG-CD1 3.88Å; H51-W55 AromaticContact ND1-CD1 3.96Å; H51-W55 AromaticContact ND1-NE1 3.62Å; H51-W55 AromaticContact NE2-CD1 3.37Å; H51-W55 AromaticContact NE2-NE1 3.03Å; H51-W55 PolarHBondContact NE2-NE1 3.21Å; H51-W55 PolarHBondContact O-N 2.63Å
52R88.7Confident83.9Confident141 Ų141108.4 Ų108.453%0.53251%0.507SS..Hα-helixtrans-60.4-40.6176.7-179.3177.865.8-147.83.9112.2E20 Q48 F49 I50 W55E20-R52 IonicContact OE2-NH2 3.7Å; E20-R52 PolarHBondContact OE2-NH2 3.47Å; E20-R52 VanDerWaalsContact OE2-NH2 3.12Å; Q48-R52 WeakPolarHBondContact O-CB 3.44Å; Q48-R52 PolarHBondContact O-N 3.22Å; F49-R52 VanDerWaalsContact CE2-NH2 3.25Å; F49-R52 PolarHBondContact O-N 3.09Å; I50-R52 PolarHBondContact O-N 3.05Å; R52-W55 PolarHBondContact O-N 3.07Å
53D87.4Confident83.3Confident96 Ų96112.3 Ų112.351%0.51353%0.525SS..Hα-helixtrans-71-37178.5-166.559.4000112.4F49 I50 H51 W55 T56F49-D53 WeakPolarHBondContact O-CB 3.33Å; F49-D53 PolarHBondContact O-N 2.95Å; I50-D53 PolarHBondContact O-N 3.1Å; H51-D53 VanDerWaalsContact C-N 3.31Å; H51-D53 PolarHBondContact O-N 3.15Å; D53-W55 VanDerWaalsContact C-N 3.32Å; D53-W55 PolarHBondContact O-N 3.19Å; D53-T56 WeakPolarHBondContact O-CB 3.22Å; D53-T56 WeakPolarHBondContact O-CG2 3.37Å; D53-T56 PolarHBondContact O-N 3.43Å; D53-T56 PolarHBondContact O-OG1 3.05Å
54Y85.4Confident82.6Confident108 Ų108112.3 Ų112.342%0.42453%0.53SS..Hα-helixtrans-67.1-31.7174.8-164.9-89.8000112.4I50 H51 T56 N59I50-Y54 WeakPolarHBondContact O-CB 3.37Å; I50-Y54 PolarHBondContact O-N 3.04Å; H51-Y54 PolarHBondContact O-N 2.75Å; Y54-T56 PolarHBondContact O-N 3.04Å; Y54-N59 WeakPolarHBondContact O-CB 3.43Å
55W78.9Confident81.9Confident152 Ų152111.7 Ų111.758%0.57653%0.533SS*.THydrogen-bonded Turntrans-84.929.7176.1-72108.2000114.1H51 R52 D53 Q60H51-W55 AromaticContact CD2-CD1 3.5Å; H51-W55 AromaticContact CD2-NE1 3.67Å; H51-W55 AromaticContact CE1-CD1 3.68Å; H51-W55 AromaticContact CE1-NE1 3.04Å; H51-W55 PolarHBondContact CE1-NE1 3.17Å; H51-W55 AromaticContact CG-CD1 3.88Å; H51-W55 AromaticContact ND1-CD1 3.96Å; H51-W55 AromaticContact ND1-NE1 3.62Å; H51-W55 AromaticContact NE2-CD1 3.37Å; H51-W55 AromaticContact NE2-NE1 3.03Å; H51-W55 PolarHBondContact NE2-NE1 3.21Å; H51-W55 PolarHBondContact O-N 2.63Å; R52-W55 PolarHBondContact O-N 3.07Å; D53-W55 VanDerWaalsContact C-N 3.32Å; D53-W55 PolarHBondContact O-N 3.19Å; W55-Q60 HydrophobicContact CE3-CG 4.43Å
56T78.3Confident81Confident50 Ų50115.9 Ų115.931%0.30755%0.549SS..SBendtrans-77.9157170.850.60000111.3D53 Y54 E58 N59 Q60D53-T56 WeakPolarHBondContact O-CB 3.22Å; D53-T56 WeakPolarHBondContact O-CG2 3.37Å; D53-T56 PolarHBondContact O-N 3.43Å; D53-T56 PolarHBondContact O-OG1 3.05Å; Y54-T56 PolarHBondContact O-N 3.04Å; T56-E58 PolarHBondContact O-N 3.22Å; T56-N59 PolarHBondContact O-N 2.88Å; T56-N59 PolarHBondContact OG1-ND2 3.25Å; T56-Q60 WeakPolarHBondContact O-CG 3.35Å; T56-Q60 PolarHBondContact O-N 3.18Å
57A66.6Low80.1Confident77 Ų77118.3 Ų118.364%0.63655%0.554SS**THydrogen-bonded Turntrans-56.3-23.9-178.500000113.6
58E71.3Confident79.1Confident178 Ų178117.7 Ų117.783%0.83255%0.551SS**THydrogen-bonded Turntrans-74.6-26.9178.2-64-177.2169.900113T56T56-E58 PolarHBondContact O-N 3.22Å
59N74.7Confident78.1Confident46 Ų46117.7 Ų117.725%0.24655%0.551CS.*THydrogen-bonded Turntrans-108.7-3.7-171.1-71.8-31.4000114Y54 T56 W61 L62Y54-N59 WeakPolarHBondContact O-CB 3.43Å; T56-N59 PolarHBondContact O-N 2.88Å; T56-N59 PolarHBondContact OG1-ND2 3.25Å; N59-W61 PolarHBondContact O-N 3.39Å; N59-L62 PolarHBondContact O-N 3.5Å
60Q64.5Low76.9Confident104 Ų104121.6 Ų121.649%0.48657%0.571SS.*THydrogen-bonded Turntrans-65.8-8.2-177.8-77.7177.2-700115.3W55 T56W55-Q60 HydrophobicContact CE3-CG 4.43Å; T56-Q60 WeakPolarHBondContact O-CG 3.35Å; T56-Q60 PolarHBondContact O-N 3.18Å
61W64.4Low75.7Confident233 Ų233123.3 Ų123.388%0.88358%0.575SS**THydrogen-bonded Turntrans-113.94.4-175.8-54.8108.5000114.9N59N59-W61 PolarHBondContact O-N 3.39Å
62L57.5Low74.3Confident178 Ų178123.9 Ų123.993%0.93258%0.579SS**  trans-86.80170.5-68175.9000110.6N59N59-L62 PolarHBondContact O-N 3.5Å

Retrieved 62 of 62 residues in 89.2 ms (Link to these results)