A0A077ZK45_TRITR Loading...

Leucine Rich Repeat family protein, expressed

AlphaFold DB , UniProt , Accession A0A077ZK45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 92 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M28.9Very low38Very low208 Ų20896.3 Ų96.3100%1.02551%0.506SS*.  0116.70-85.3160.5154.900108.5R3M1-R3 PolarHBondContact O-N 2.78Å
2P37.2Very low38.3Very low101 Ų10193 Ų9366%0.65650%0.496SS*.  trans-58.2136.2169.525.2-30.8000108.7V7P2-V7 HydrophobicContact CB-CG2 4.18Å; P2-V7 HydrophobicContact CG-CG2 4.3Å
3R31.7Very low38.6Very low198 Ų19898.8 Ų98.875%0.74751%0.507SS*.  trans-68.4146.7178.3-71.5-178.1173.9177.6-0.5108.8M1 D5 D6 V7M1-R3 PolarHBondContact O-N 2.78Å; R3-D5 PolarHBondContact O-N 2.92Å; R3-D6 WeakPolarHBondContact O-CB 3.03Å; R3-D6 PolarHBondContact O-N 3.04Å; R3-V7 PolarHBondContact O-N 3.06Å
4C38.2Very low39Very low43 Ų43102.7 Ų102.729%0.29151%0.512SS..Hα-helixtrans-50.3-32.7176.8-129.70000112.8T8 C26C4-T8 WeakPolarHBondContact O-CB 3.43Å; C4-T8 PolarHBondContact O-N 2.78Å; C4-T8 PolarHBondContact O-OG1 3.3Å; C4-C26 HydrophobicContact CB-CB 4.4Å; C4-C26 WeakPolarHBondContact CB-SG 3.19Å; C4-C26 WeakPolarHBondContact SG-CB 3.37Å; C4-C26 CovalentContact SG-SG 2.02Å; C4-C26 PolarHBondContact SG-SG 3.2Å
5D39.1Very low39.1Very low125 Ų125101.6 Ų101.667%0.66851%0.505SS*.Hα-helixtrans-64.1-39.1174.1-68.6-89.8000114R3 T8 A9R3-D5 PolarHBondContact O-N 2.92Å; D5-T8 PolarHBondContact O-N 2.93Å; D5-A9 WeakPolarHBondContact O-CB 3.48Å; D5-A9 PolarHBondContact O-N 3.44Å
6D38.2Very low39.2Very low100 Ų100104.1 Ų104.154%0.53552%0.52SS..Hα-helixtrans-65.9-44.1179-109.6-77.6000110.6R3 T8 A9 E10R3-D6 WeakPolarHBondContact O-CB 3.03Å; R3-D6 PolarHBondContact O-N 3.04Å; D6-T8 PolarHBondContact O-N 3Å; D6-A9 PolarHBondContact O-N 3.2Å; D6-E10 PolarHBondContact O-N 3.3Å
7V37.7Very low39.3Very low40 Ų40106.5 Ų106.524%0.24253%0.53CS..Hα-helixtrans-67-40.3-179.8-172.80000110.5P2 R3 A9 E10 M11 A24P2-V7 HydrophobicContact CB-CG2 4.18Å; P2-V7 HydrophobicContact CG-CG2 4.3Å; R3-V7 PolarHBondContact O-N 3.06Å; V7-A9 PolarHBondContact O-N 2.97Å; V7-E10 PolarHBondContact O-N 2.87Å; V7-M11 HydrophobicContact CG1-CG 4.44Å; V7-M11 HydrophobicContact CG1-SD 4.05Å; V7-M11 WeakPolarHBondContact O-CB 3.28Å; V7-M11 WeakPolarHBondContact O-CG 3.45Å; V7-M11 PolarHBondContact O-N 2.99Å; V7-A24 HydrophobicContact CG1-CB 3.41Å; V7-A24 VanDerWaalsContact CG1-CB 3.41Å
8T41.4Very low38.8Very low52 Ų52109.7 Ų109.732%0.31955%0.549SS..Hα-helixtrans-64.5-39.3175.1-55.40000111.9C4 D5 D6 M11 C12C4-T8 WeakPolarHBondContact O-CB 3.43Å; C4-T8 PolarHBondContact O-N 2.78Å; C4-T8 PolarHBondContact O-OG1 3.3Å; D5-T8 PolarHBondContact O-N 2.93Å; D6-T8 PolarHBondContact O-N 3Å; T8-M11 PolarHBondContact O-N 3.45Å; T8-C12 WeakPolarHBondContact O-CB 3.37Å; T8-C12 PolarHBondContact O-N 3.2Å
9A40.6Very low38.7Very low49 Ų49110.2 Ų110.241%0.40556%0.558SS.*Hα-helixtrans-68.7-36.717700000112.4D5 D6 V7 R13D5-A9 WeakPolarHBondContact O-CB 3.48Å; D5-A9 PolarHBondContact O-N 3.44Å; D6-A9 PolarHBondContact O-N 3.2Å; V7-A9 PolarHBondContact O-N 2.97Å; A9-R13 PolarHBondContact O-N 2.92Å; A9-R13 VanDerWaalsContact O-N 3.11Å
10E41.8Very low38.4Very low88 Ų88108.6 Ų108.641%0.41155%0.554SS.*Hα-helixtrans-69.9-40.9174.8-148.4-174.1122.100111.5D6 V7 C12 R13 R14D6-E10 PolarHBondContact O-N 3.3Å; V7-E10 PolarHBondContact O-N 2.87Å; E10-C12 VanDerWaalsContact C-N 3.31Å; E10-C12 PolarHBondContact O-N 3.32Å; E10-R13 WeakPolarHBondContact O-CB 3.46Å; E10-R13 PolarHBondContact O-N 3.45Å; E10-R14 WeakPolarHBondContact O-CG 3.08Å; E10-R14 PolarHBondContact O-N 3.47Å; E10-R14 IonicContact OE1-CZ 3.63Å; E10-R14 IonicContact OE1-NE 3.4Å; E10-R14 PolarHBondContact OE1-NE 3.03Å; E10-R14 IonicContact OE1-NH2 2.97Å; E10-R14 PolarHBondContact OE1-NH2 2.67Å
11M43.5Very low38.1Very low55 Ų55105.5 Ų105.527%0.27154%0.541SS..Hα-helixtrans-62.6-35.7174.1-72.3172.668.300112.8V7 T8 Q15 S22V7-M11 HydrophobicContact CG1-CG 4.44Å; V7-M11 HydrophobicContact CG1-SD 4.05Å; V7-M11 WeakPolarHBondContact O-CB 3.28Å; V7-M11 WeakPolarHBondContact O-CG 3.45Å; V7-M11 PolarHBondContact O-N 2.99Å; T8-M11 PolarHBondContact O-N 3.45Å; M11-Q15 WeakPolarHBondContact O-CG 3.29Å; M11-Q15 PolarHBondContact O-N 3.48Å; M11-Q15 VanDerWaalsContact O-N 3.13Å; M11-Q15 PolarHBondContact O-NE2 2.86Å; M11-S22 VanDerWaalsContact CE-O 3.23Å; M11-S22 WeakPolarHBondContact CE-O 3.46Å
12C41.2Very low38.3Very low57 Ų5799.1 Ų99.139%0.38552%0.516SS..Hα-helixtrans-71.1-35.5175.8-1600000111.7T8 E10 N16T8-C12 WeakPolarHBondContact O-CB 3.37Å; T8-C12 PolarHBondContact O-N 3.2Å; E10-C12 VanDerWaalsContact C-N 3.31Å; E10-C12 PolarHBondContact O-N 3.32Å; C12-N16 PolarHBondContact O-ND2 3.18Å
13R42.6Very low38.2Very low169 Ų16996.3 Ų96.364%0.63850%0.497SS*.Hα-helixtrans-65.1-47.6172-91.6-171.9-80.2170-4.8111.9A9 E10 Q15 N16A9-R13 PolarHBondContact O-N 2.92Å; A9-R13 VanDerWaalsContact O-N 3.11Å; E10-R13 WeakPolarHBondContact O-CB 3.46Å; E10-R13 PolarHBondContact O-N 3.45Å; R13-Q15 VanDerWaalsContact C-N 3.34Å; R13-Q15 PolarHBondContact O-N 3.39Å; R13-N16 PolarHBondContact O-N 3.3Å
14R43.5Very low38.4Very low153 Ų15389.4 Ų89.458%0.57748%0.483SS*.Hα-helixtrans-72.1-21.9-177.5-64.9-158.6-167-144.76.3114.6E10 N16 E17E10-R14 WeakPolarHBondContact O-CG 3.08Å; E10-R14 PolarHBondContact O-N 3.47Å; E10-R14 IonicContact OE1-CZ 3.63Å; E10-R14 IonicContact OE1-NE 3.4Å; E10-R14 PolarHBondContact OE1-NE 3.03Å; E10-R14 IonicContact OE1-NH2 2.97Å; E10-R14 PolarHBondContact OE1-NH2 2.67Å; R14-N16 PolarHBondContact O-N 3.25Å; R14-E17 PolarHBondContact O-N 3.06Å
15Q41.4Very low38.3Very low86 Ų8689.4 Ų89.440%0.40248%0.481SS..THydrogen-bonded Turntrans-65.6-15.2173.6-89.3179.587.200114.5M11 R13M11-Q15 WeakPolarHBondContact O-CG 3.29Å; M11-Q15 PolarHBondContact O-N 3.48Å; M11-Q15 VanDerWaalsContact O-N 3.13Å; M11-Q15 PolarHBondContact O-NE2 2.86Å; R13-Q15 VanDerWaalsContact C-N 3.34Å; R13-Q15 PolarHBondContact O-N 3.39Å
16N40.6Very low38.1Very low141 Ų14186.1 Ų86.175%0.75447%0.467SS*.THydrogen-bonded Turntrans-90.8-14.4177.3-77.7-89000113.3C12 R13 R14C12-N16 PolarHBondContact O-ND2 3.18Å; R13-N16 PolarHBondContact O-N 3.3Å; R14-N16 PolarHBondContact O-N 3.25Å
17E41Very low37.9Very low146 Ų14688.2 Ų88.268%0.68247%0.474SS*.SBendtrans-98.9123.9170.9-68.1-179.990.600106.4R14 V19R14-E17 PolarHBondContact O-N 3.06Å; E17-V19 PolarHBondContact O-N 3.35Å
18D30.4Very low37.7Very low164 Ų16494.5 Ų94.588%0.87750%0.495SS*.SBendtrans-36.2124.8169.4-114.7-102.2000110
19V36.2Very low37.1Very low119 Ų11998.9 Ų98.972%0.72152%0.521SS*.SBendtrans107.8125.1166.7-1780000118.2E17E17-V19 PolarHBondContact O-N 3.35Å
20T33.3Very low36.7Very low78 Ų78100 Ų10048%0.47954%0.537SS..  trans69.5102.5164.4-40.50000118.5S22T20-S22 PolarHBondContact O-N 3.23Å
21V31.5Very low36.3Very low44 Ų44104.3 Ų104.327%0.26755%0.554SS.*EExtended strand (participates in β ladder)trans-78.3108.2161.5-176.40000108V23 V60 S61V21-V23 HydrophobicContact CG1-CG2 4.18Å; V21-V60 HydrophobicContact CB-CG1 3.95Å; V21-V60 HydrophobicContact CG1-CG1 4.12Å; V21-S61 CarbonylContact O-C 3.5Å; V21-S61 WeakPolarHBondContact O-CA 3.09Å; V21-S61 PolarHBondContact O-N 3.08Å
22S33.6Very low35.7Very low74 Ų74107.7 Ų107.752%0.51757%0.569SS.*EExtended strand (participates in β ladder)trans-99.8107.3166.8-61.40000108.6M11 T20M11-S22 VanDerWaalsContact CE-O 3.23Å; M11-S22 WeakPolarHBondContact CE-O 3.46Å; T20-S22 PolarHBondContact O-N 3.23Å
23V35.4Very low35.5Very low42 Ų42108.5 Ų108.526%0.25557%0.574SS.*EExtended strand (participates in β ladder)trans-79121.1170.8-179.50000108V21 S61 V62 A63V21-V23 HydrophobicContact CG1-CG2 4.18Å; V23-S61 PolarHBondContact N-O 3.26Å; V23-V62 HydrophobicContact CB-CB 4.4Å; V23-V62 HydrophobicContact CB-CG1 4.13Å; V23-V62 HydrophobicContact CG1-CG1 4.27Å; V23-V62 HydrophobicContact CG2-CB 4.1Å; V23-V62 HydrophobicContact CG2-CG1 4.02Å; V23-V62 HydrophobicContact CG2-CG2 3.82Å; V23-A63 WeakPolarHBondContact O-CB 3.13Å; V23-A63 PolarHBondContact O-N 3.13Å
24A35.1Very low34.9Very low53 Ų53107.7 Ų107.744%0.43857%0.571SS.*PPolyproline II helixtrans-101.3130.5174.100000110.3V7V7-A24 HydrophobicContact CG1-CB 3.41Å; V7-A24 VanDerWaalsContact CG1-CB 3.41Å
25T36.3Very low34.6Very low43 Ų43107.3 Ų107.326%0.26458%0.576SS.*PPolyproline II helixtrans-76.8132.5179.646.50000111.5A63T25-A63 HydrophobicContact CG2-CB 3.91Å; T25-A63 WeakPolarHBondContact CG2-O 3.49Å
26C35.1Very low34.1Very low56 Ų56108.3 Ų108.338%0.37858%0.577SS.*PPolyproline II helixtrans-101.6122.1157-85.40000109C4 Y28C4-C26 HydrophobicContact CB-CB 4.4Å; C4-C26 WeakPolarHBondContact CB-SG 3.19Å; C4-C26 WeakPolarHBondContact SG-CB 3.37Å; C4-C26 CovalentContact SG-SG 2.02Å; C4-C26 PolarHBondContact SG-SG 3.2Å; C26-Y28 PolarHBondContact O-N 3.26Å; C26-Y28 VanDerWaalsContact O-N 3.16Å
27E33.7Very low33.8Very low143 Ų143110.4 Ų110.467%0.66857%0.574SS**  trans-57.3112.3167.3-73.6-179.57900110.1
28Y33.1Very low33.3Very low173 Ų173112.5 Ų112.568%0.67858%0.581SS**  trans-14391.3153.1-116.2-85000109C26 G30C26-Y28 PolarHBondContact O-N 3.26Å; C26-Y28 VanDerWaalsContact O-N 3.16Å; Y28-G30 PolarHBondContact O-N 3.18Å
29V29.6Very low33.4Very low144 Ų144114.1 Ų114.187%0.87358%0.575SS**THydrogen-bonded Turntrans-67.4116.2166.6177.60000107.5
30G31.2Very low33.3Very low72 Ų72112.7 Ų112.774%0.74257%0.566SS**THydrogen-bonded Turntrans102.427.5156.600000119.3Y28Y28-G30 PolarHBondContact O-N 3.18Å
31K33.2Very low33.4Very low178 Ų178119.3 Ų119.377%0.77458%0.583SS**SBendtrans-132.6143.9164.4-70.6-155.1177.7-164.20113.2
32E32.3Very low33.6Very low126 Ų126124.9 Ų124.959%0.58960%0.599SS**  trans-57.6141.3-166.5-65.3177.1116.300114.3W34E32-W34 VanDerWaalsContact C-N 3.29Å; E32-W34 HydrophobicContact CB-CD2 3.89Å; E32-W34 HydrophobicContact CB-CE3 3.89Å; E32-W34 HydrophobicContact CB-CH2 3.56Å; E32-W34 HydrophobicContact CB-CZ2 3.46Å; E32-W34 VanDerWaalsContact CB-CZ2 3.46Å; E32-W34 HydrophobicContact CB-CZ3 3.72Å; E32-W34 HydrophobicContact CG-CH2 3.71Å; E32-W34 HydrophobicContact CG-CZ2 3.82Å; E32-W34 HydrophobicContact CG-CZ3 4.17Å; E32-W34 PolarHBondContact O-N 2.75Å; E32-W34 VanDerWaalsContact O-N 3.12Å; E32-W34 WeakPolarHBondContact OE1-CH2 3.02Å; E32-W34 WeakPolarHBondContact OE1-CZ2 3.5Å; E32-W34 WeakPolarHBondContact OE2-CZ2 3.28Å
33P37.1Very low33.8Very low75 Ų75123.6 Ų123.649%0.48759%0.589SS.*THydrogen-bonded Turntrans-69.6-10.7-163.623-32.6000116.3
34W30.3Very low33.9Very low152 Ų152128.2 Ų128.258%0.57661%0.612SS**THydrogen-bonded Turntrans-84.3-27-174.750.982.5000114.8E32 R37E32-W34 VanDerWaalsContact C-N 3.29Å; E32-W34 HydrophobicContact CB-CD2 3.89Å; E32-W34 HydrophobicContact CB-CE3 3.89Å; E32-W34 HydrophobicContact CB-CH2 3.56Å; E32-W34 HydrophobicContact CB-CZ2 3.46Å; E32-W34 VanDerWaalsContact CB-CZ2 3.46Å; E32-W34 HydrophobicContact CB-CZ3 3.72Å; E32-W34 HydrophobicContact CG-CH2 3.71Å; E32-W34 HydrophobicContact CG-CZ2 3.82Å; E32-W34 HydrophobicContact CG-CZ3 4.17Å; E32-W34 PolarHBondContact O-N 2.75Å; E32-W34 VanDerWaalsContact O-N 3.12Å; E32-W34 WeakPolarHBondContact OE1-CH2 3.02Å; E32-W34 WeakPolarHBondContact OE1-CZ2 3.5Å; E32-W34 WeakPolarHBondContact OE2-CZ2 3.28Å; W34-R37 WeakPolarHBondContact O-CB 3.47Å
35E35.3Very low33.9Very low145 Ų145132.4 Ų132.468%0.67863%0.627SS**THydrogen-bonded Turntrans-76.7-26.2-178.6-71.1-150.286.300112.6R37E35-R37 VanDerWaalsContact C-N 3.33Å
36Y32.6Very low34Very low106 Ų106133.7 Ų133.742%0.41663%0.632SS.*G310 helixtrans-77.2-19.1176.9-113-95.2000113.5K38 R39 V40Y36-K38 PolarHBondContact O-N 3.37Å; Y36-K38 VanDerWaalsContact O-N 3.16Å; Y36-R39 PolarHBondContact O-N 3.31Å; Y36-V40 PolarHBondContact O-N 3.25Å
37R32.8Very low34Very low185 Ų185134.9 Ų134.970%0.69864%0.635SS**G310 helixtrans-62.4-19.8175.3-163.3174.8173.2169.7-1.7113.1W34 E35W34-R37 WeakPolarHBondContact O-CB 3.47Å; E35-R37 VanDerWaalsContact C-N 3.33Å
38K30.4Very low34.2Very low191 Ų191132.3 Ų132.383%0.8363%0.63SS**G310 helixtrans-86.4-20.8173.8-84.5-177.7177.1176.90114.3Y36Y36-K38 PolarHBondContact O-N 3.37Å; Y36-K38 VanDerWaalsContact O-N 3.16Å
39R32.8Very low34.3Very low197 Ų197128.8 Ų128.874%0.74362%0.62SS**THydrogen-bonded Turntrans-101-21.2-174.1-69.8-166.3-171-139.84.6113.9Y36 R41Y36-R39 PolarHBondContact O-N 3.31Å; R39-R41 PolarHBondContact O-N 3.47Å
40V34.5Very low34.8Very low90 Ų90126 Ų12655%0.54560%0.599SS.*SBendtrans-69.893.1157.8-176.90000105.6Y36 R42Y36-V40 PolarHBondContact O-N 3.25Å; V40-R42 PolarHBondContact O-N 3.16Å
41R36.2Very low35.4Very low217 Ų217126.7 Ų126.782%0.81958%0.579SS**  trans-56.394.3157.9-102-177.3173.9178.2-1104.6R39 C43R39-R41 PolarHBondContact O-N 3.47Å; R41-C43 PolarHBondContact O-N 3.18Å
42R35.5Very low35.8Very low161 Ų161124.6 Ų124.661%0.60857%0.566SS**  trans-50.3138.9158.9-75.3178.8170.8-173.8-6.4104V40 D44V40-R42 PolarHBondContact O-N 3.16Å; R42-D44 WeakPolarHBondContact CB-OD2 3.36Å; R42-D44 PolarHBondContact O-N 3.11Å
43C37.6Very low36.3Very low47 Ų47127.2 Ų127.232%0.31857%0.571SS.*  trans-59.684.5153.1-65.50000104.1R41 D45 I46R41-C43 PolarHBondContact O-N 3.18Å; C43-D45 PolarHBondContact O-N 3.19Å; C43-I46 HydrophobicContact CB-CD1 3.68Å; C43-I46 HydrophobicContact CB-CG1 3.79Å; C43-I46 PolarHBondContact O-N 3.43Å
44D36.9Very low36.6Very low138 Ų138130.8 Ų130.874%0.73858%0.581SS**THydrogen-bonded Turntrans-64.9-3.5-161.4-121.1-94.2000111.5R42R42-D44 WeakPolarHBondContact CB-OD2 3.36Å; R42-D44 PolarHBondContact O-N 3.11Å
45D35.8Very low37.3Very low141 Ų141124.5 Ų124.575%0.75456%0.559SS**THydrogen-bonded Turntrans-1071.5177.9-89.3-78.7000115.3C43 N47 M50C43-D45 PolarHBondContact O-N 3.19Å; D45-N47 PolarHBondContact O-N 3.35Å; D45-M50 WeakPolarHBondContact O-CE 3.41Å
46I38.2Very low37.6Very low71 Ų71122 Ų12236%0.36456%0.562SS.*  trans-78.690.1174.3-54.9-177.1000109.1C43 M50 W51C43-I46 HydrophobicContact CB-CD1 3.68Å; C43-I46 HydrophobicContact CB-CG1 3.79Å; C43-I46 PolarHBondContact O-N 3.43Å; I46-M50 HydrophobicContact CG2-CB 4.44Å; I46-W51 HydrophobicContact CG2-CB 4Å
47N35Very low37.8Very low81 Ų81120.7 Ų120.743%0.43358%0.581SS.*  trans-50.1132168.4-178.5-13.8000108.9D45 E49 M50 W51D45-N47 PolarHBondContact O-N 3.35Å; N47-E49 PolarHBondContact O-N 2.93Å; N47-E49 PolarHBondContact OD1-N 2.96Å; N47-M50 HydrophobicContact CB-CB 4.44Å; N47-M50 HydrophobicContact CB-CE 4.01Å; N47-M50 HydrophobicContact CB-CG 4.31Å; N47-M50 WeakPolarHBondContact O-CA 3.36Å; N47-M50 WeakPolarHBondContact O-CB 3.49Å; N47-M50 PolarHBondContact O-N 3.35Å; N47-W51 PolarHBondContact O-N 2.92Å
48P38.5Very low38.1Very low88 Ų88113.5 Ų113.557%0.57156%0.562SS**Hα-helixtrans-52.2-21.6175.319.1-33.2000113.6R52P48-R52 PolarHBondContact O-N 3.41Å
49E34.6Very low38.5Very low99 Ų99108.5 Ų108.546%0.46355%0.547SS..Hα-helixtrans-73.8-39.6170.6-159.9179124.900113.6N47 W51 R52 R53N47-E49 PolarHBondContact O-N 2.93Å; N47-E49 PolarHBondContact OD1-N 2.96Å; E49-W51 VanDerWaalsContact C-N 3.33Å; E49-R52 PolarHBondContact O-N 3.16Å; E49-R53 WeakPolarHBondContact O-CG 3.23Å; E49-R53 PolarHBondContact O-N 3.21Å; E49-R53 IonicContact OE1-CZ 3.39Å; E49-R53 IonicContact OE1-NE 3.2Å; E49-R53 PolarHBondContact OE1-NE 3.35Å; E49-R53 IonicContact OE1-NH2 2.78Å; E49-R53 PolarHBondContact OE1-NH2 3.12Å
50M39.3Very low38.8Very low87 Ų8799.5 Ų99.543%0.42951%0.514SS..Hα-helixtrans-65.8-38.7173.1-75.7-162.5-74.500111.2D45 I46 N47 R52 R53 Q54D45-M50 WeakPolarHBondContact O-CE 3.41Å; I46-M50 HydrophobicContact CG2-CB 4.44Å; N47-M50 HydrophobicContact CB-CB 4.44Å; N47-M50 HydrophobicContact CB-CE 4.01Å; N47-M50 HydrophobicContact CB-CG 4.31Å; N47-M50 WeakPolarHBondContact O-CA 3.36Å; N47-M50 WeakPolarHBondContact O-CB 3.49Å; N47-M50 PolarHBondContact O-N 3.35Å; M50-R52 VanDerWaalsContact C-N 3.33Å; M50-R52 PolarHBondContact O-N 3.48Å; M50-R53 PolarHBondContact O-N 2.9Å; M50-Q54 PolarHBondContact O-N 2.98Å
51W45Very low38.9Very low85 Ų8596 Ų9632%0.32249%0.494SS..Hα-helixtrans-60-42.1173.5-168.684.3000112I46 N47 E49 N55 V80I46-W51 HydrophobicContact CG2-CB 4Å; N47-W51 PolarHBondContact O-N 2.92Å; E49-W51 VanDerWaalsContact C-N 3.33Å; W51-N55 PolarHBondContact NE1-ND2 3.02Å; W51-N55 VanDerWaalsContact O-CB 3.29Å; W51-N55 WeakPolarHBondContact O-CB 3.49Å; W51-N55 PolarHBondContact O-N 2.98Å; W51-N55 PolarHBondContact O-ND2 3.2Å; W51-V80 HydrophobicContact CH2-CB 4.26Å; W51-V80 HydrophobicContact CH2-CG1 4.17Å; W51-V80 HydrophobicContact CH2-CG2 4.03Å; W51-V80 HydrophobicContact CZ3-CG2 3.93Å
52R42.2Very low39Very low134 Ų13485.9 Ų85.951%0.50646%0.456SS..Hα-helixtrans-70.7-35176.2-85.8-153.3-86.3178.2-4114P48 E49 M50P48-R52 PolarHBondContact O-N 3.41Å; E49-R52 PolarHBondContact O-N 3.16Å; M50-R52 VanDerWaalsContact C-N 3.33Å; M50-R52 PolarHBondContact O-N 3.48Å
53R41.5Very low39Very low182 Ų18278.8 Ų78.869%0.68743%0.432SS*.Hα-helixtrans-76-34.8-178.7-72.7-177.6-172.3-129.77.9112.9E49 M50E49-R53 WeakPolarHBondContact O-CG 3.23Å; E49-R53 PolarHBondContact O-N 3.21Å; E49-R53 IonicContact OE1-CZ 3.39Å; E49-R53 IonicContact OE1-NE 3.2Å; E49-R53 PolarHBondContact OE1-NE 3.35Å; E49-R53 IonicContact OE1-NH2 2.78Å; E49-R53 PolarHBondContact OE1-NH2 3.12Å; M50-R53 PolarHBondContact O-N 2.9Å
54Q44.1Very low38.9Very low150 Ų15078.6 Ų78.670%0.70143%0.433SS*.Hα-helixtrans-86.4-24.9180-69.7-1764.400113.5M50M50-Q54 PolarHBondContact O-N 2.98Å
55N43.7Very low38.7Very low20 Ų2075.5 Ų75.511%0.10742%0.422CS..  trans-95.114179.4-67.5-70.7000114.8W51 G57 A58W51-N55 PolarHBondContact NE1-ND2 3.02Å; W51-N55 VanDerWaalsContact O-CB 3.29Å; W51-N55 WeakPolarHBondContact O-CB 3.49Å; W51-N55 PolarHBondContact O-N 2.98Å; W51-N55 PolarHBondContact O-ND2 3.2Å; N55-G57 PolarHBondContact O-N 3.09Å; N55-A58 HydrophobicContact CB-CB 4.2Å; N55-A58 PolarHBondContact O-N 2.89Å; N55-A58 VanDerWaalsContact OD1-CB 3.28Å; N55-A58 WeakPolarHBondContact OD1-CB 3.28Å
56A42.6Very low38.8Very low91 Ų9177.8 Ų77.875%0.75243%0.428SS*.THydrogen-bonded Turntrans-64.42.1176.600000114.6
57G37.1Very low38.7Very low79 Ų7981.7 Ų81.781%0.81444%0.439SS*.THydrogen-bonded Turntrans-156.217169.400000114N55N55-G57 PolarHBondContact O-N 3.09Å
58A38.9Very low38.8Very low35 Ų3580.8 Ų80.829%0.28944%0.436SS..  trans-99.9127.4-173.500000111.6N55 V60N55-A58 HydrophobicContact CB-CB 4.2Å; N55-A58 PolarHBondContact O-N 2.89Å; N55-A58 VanDerWaalsContact OD1-CB 3.28Å; N55-A58 WeakPolarHBondContact OD1-CB 3.28Å; A58-V60 PolarHBondContact O-N 3.11Å
59T38.3Very low38.7Very low86 Ų8677.7 Ų77.753%0.52842%0.42SS..  trans-73.9115.4168.2-52.30000108.7
60V38.7Very low38.8Very low7 Ų780 Ų804%0.04243%0.429CS..EExtended strand (participates in β ladder)trans-93.7118.4172.4-176.10000107.4V21 A58 V62 V80 M82 S83V21-V60 HydrophobicContact CB-CG1 3.95Å; V21-V60 HydrophobicContact CG1-CG1 4.12Å; A58-V60 PolarHBondContact O-N 3.11Å; V60-V62 HydrophobicContact CG1-CG2 3.76Å; V60-V80 HydrophobicContact CG2-CG1 4.44Å; V60-M82 HydrophobicContact CB-CE 4.33Å; V60-M82 HydrophobicContact CB-CG 4.11Å; V60-M82 HydrophobicContact CG1-CE 3.9Å; V60-M82 WeakPolarHBondContact O-CA 3.47Å; V60-S83 PolarHBondContact O-N 3.16Å; V60-S83 VanDerWaalsContact O-N 3.08Å
61S37.2Very low38.8Very low18 Ų1882 Ų8213%0.12644%0.437CS..EExtended strand (participates in β ladder)trans-96.8102.4173.8-72.10000109.5V21 V23 S83V21-S61 CarbonylContact O-C 3.5Å; V21-S61 WeakPolarHBondContact O-CA 3.09Å; V21-S61 PolarHBondContact O-N 3.08Å; V23-S61 PolarHBondContact N-O 3.26Å; S61-S83 VanDerWaalsContact CA-O 3.28Å; S61-S83 WeakPolarHBondContact CA-O 3.34Å
62V38.3Very low38.6Very low3 Ų381.6 Ų81.62%0.01844%0.44CS..EExtended strand (participates in β ladder)trans-98.4109.2176-179.80000108.9V23 V60 A64 M72 M82 S83 V84V23-V62 HydrophobicContact CB-CB 4.4Å; V23-V62 HydrophobicContact CB-CG1 4.13Å; V23-V62 HydrophobicContact CG1-CG1 4.27Å; V23-V62 HydrophobicContact CG2-CB 4.1Å; V23-V62 HydrophobicContact CG2-CG1 4.02Å; V23-V62 HydrophobicContact CG2-CG2 3.82Å; V60-V62 HydrophobicContact CG1-CG2 3.76Å; V62-A64 PolarHBondContact O-N 2.98Å; V62-A64 VanDerWaalsContact O-N 3.13Å; V62-M72 HydrophobicContact CG1-SD 4.07Å; V62-M72 HydrophobicContact CG2-SD 3.88Å; V62-M82 HydrophobicContact CB-CE 4.2Å; V62-M82 HydrophobicContact CG2-CE 3.17Å; V62-S83 PolarHBondContact N-O 3.37Å; V62-S83 VanDerWaalsContact N-O 3.11Å; V62-V84 VanDerWaalsContact O-CA 3.31Å; V62-V84 WeakPolarHBondContact O-CA 2.87Å; V62-V84 WeakPolarHBondContact O-CG1 3.39Å
63A35.4Very low38.4Very low13 Ų1382.3 Ų82.311%0.10744%0.442CS..  trans-70.7108.8163.500000108V23 T25 C65 Q85V23-A63 WeakPolarHBondContact O-CB 3.13Å; V23-A63 PolarHBondContact O-N 3.13Å; T25-A63 HydrophobicContact CG2-CB 3.91Å; T25-A63 WeakPolarHBondContact CG2-O 3.49Å; A63-C65 PolarHBondContact O-N 3.48Å; A63-Q85 WeakPolarHBondContact CA-O 3.46Å
64A34.9Very low38.3Very low42 Ų4281 Ų8135%0.34744%0.444SS..  trans-72.9117-171.200000111V62 V84V62-A64 PolarHBondContact O-N 2.98Å; V62-A64 VanDerWaalsContact O-N 3.13Å; A64-V84 HydrophobicContact CB-CG1 3.54Å
65C34.1Very low38.3Very low73 Ų7381.9 Ų81.949%0.49344%0.442SS..  trans-71.9125.1140.6-165.30000105.8A63 Y67 V68 G69A63-C65 PolarHBondContact O-N 3.48Å; C65-Y67 PolarHBondContact O-N 3.27Å; C65-V68 HydrophobicContact CB-CG2 4.31Å; C65-V68 PolarHBondContact O-N 3.07Å; C65-G69 PolarHBondContact O-N 2.78Å; C65-G69 VanDerWaalsContact O-N 3.11Å
66E36.7Very low38.3Very low189 Ų18987.4 Ų87.488%0.88346%0.462SS*.THydrogen-bonded Turntrans-46.8-23.8-172.5-84.6-178.380.200114.5
67Y37Very low38.3Very low154 Ų15490.7 Ų90.760%0.60447%0.467SS*.THydrogen-bonded Turntrans-83.3-40.6177.9-140.4-96.7000114.3C65 G69 K70C65-Y67 PolarHBondContact O-N 3.27Å; Y67-G69 VanDerWaalsContact C-N 3.32Å; Y67-K70 PolarHBondContact O-N 3.47Å
68V37.8Very low38.7Very low62 Ų6295.3 Ų95.338%0.37646%0.459SS..Hα-helixtrans-71.6-33.4177.3179.60000110.5C65 K70 M72C65-V68 HydrophobicContact CB-CG2 4.31Å; C65-V68 PolarHBondContact O-N 3.07Å; V68-K70 PolarHBondContact O-N 3.5Å; V68-M72 HydrophobicContact CG1-CE 4.12Å; V68-M72 HydrophobicContact CG1-CG 4.32Å; V68-M72 HydrophobicContact CG1-SD 3.94Å; V68-M72 WeakPolarHBondContact O-CB 3.37Å; V68-M72 PolarHBondContact O-N 2.87Å; V68-M72 VanDerWaalsContact O-N 3.09Å
69G34.4Very low38.7Very low22 Ų2297 Ų9723%0.22748%0.481CS..Hα-helixtrans-59.5-25.5173.700000113.4C65 Y67 W73C65-G69 PolarHBondContact O-N 2.78Å; C65-G69 VanDerWaalsContact O-N 3.11Å; Y67-G69 VanDerWaalsContact C-N 3.32Å; G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.41Å; G69-W73 PolarHBondContact O-N 2.93Å
70K37Very low38.8Very low148 Ų14894.5 Ų94.564%0.64347%0.465SS*.Hα-helixtrans-86.3-44.4-176.7-152.2178.2-174.5-178.10113.1Y67 V68 W73 E74Y67-K70 PolarHBondContact O-N 3.47Å; V68-K70 PolarHBondContact O-N 3.5Å; K70-W73 WeakPolarHBondContact O-CA 2.97Å; K70-W73 WeakPolarHBondContact O-CB 3Å; K70-W73 PolarHBondContact O-N 3.04Å; K70-W73 VanDerWaalsContact O-N 3.16Å; K70-E74 PolarHBondContact O-N 3.38Å
71E39.7Very low38.8Very low129 Ų12999.8 Ų99.860%0.60350%0.498SS*.Hα-helixtrans-70.7-35175.4-71.1-171.294.100111.9W73 E74 Y75E71-W73 PolarHBondContact O-N 3.34Å; E71-E74 PolarHBondContact O-N 3.4Å; E71-Y75 PolarHBondContact O-N 2.02Å
72M41.2Very low38.9Very low77 Ų77101.3 Ų101.338%0.37950%0.503SS..Hα-helixtrans-70.2-24.9170.8-73-174170.100112.1V62 V68 E74 Y75 R76 M82V62-M72 HydrophobicContact CG1-SD 4.07Å; V62-M72 HydrophobicContact CG2-SD 3.88Å; V68-M72 HydrophobicContact CG1-CE 4.12Å; V68-M72 HydrophobicContact CG1-CG 4.32Å; V68-M72 HydrophobicContact CG1-SD 3.94Å; V68-M72 WeakPolarHBondContact O-CB 3.37Å; V68-M72 PolarHBondContact O-N 2.87Å; V68-M72 VanDerWaalsContact O-N 3.09Å; M72-E74 VanDerWaalsContact C-N 3.34Å; M72-Y75 PolarHBondContact O-N 3.35Å; M72-R76 PolarHBondContact O-N 3.11Å; M72-M82 HydrophobicContact CB-CE 4.44Å; M72-M82 HydrophobicContact SD-CE 3.82Å
73W37.4Very low38.9Very low148 Ų148104 Ų10456%0.56152%0.522SS*.Hα-helixtrans-63.4-39.6171.2-147.592.5000112G69 K70 E71 Y75 R76G69-W73 VanDerWaalsContact O-CB 3.28Å; G69-W73 WeakPolarHBondContact O-CB 3.41Å; G69-W73 PolarHBondContact O-N 2.93Å; K70-W73 WeakPolarHBondContact O-CA 2.97Å; K70-W73 WeakPolarHBondContact O-CB 3Å; K70-W73 PolarHBondContact O-N 3.04Å; K70-W73 VanDerWaalsContact O-N 3.16Å; E71-W73 PolarHBondContact O-N 3.34Å; W73-Y75 PolarHBondContact O-N 2.79Å; W73-R76 VanDerWaalsContact CD1-NE 3.28Å; W73-R76 WeakPolarHBondContact O-CB 3.38Å; W73-R76 WeakPolarHBondContact O-CD 3.31Å; W73-R76 WeakPolarHBondContact O-CG 3.06Å; W73-R76 PolarHBondContact O-N 3.28Å
74E41Very low39.2Very low155 Ų155107.3 Ų107.372%0.72454%0.541SS*.Hα-helixtrans-71.4-22.2178.8-69.7-173.384.800112.3K70 E71 M72 R76K70-E74 PolarHBondContact O-N 3.38Å; E71-E74 PolarHBondContact O-N 3.4Å; M72-E74 VanDerWaalsContact C-N 3.34Å; E74-R76 VanDerWaalsContact C-N 3.29Å; E74-R76 PolarHBondContact O-N 2.97Å
75Y43Very low39.4Very low168 Ų168109 Ų10966%0.65954%0.542SS*.G310 helixtrans-75.6-9.4168.3-99.8-95.7000114.2E71 M72 W73 N77E71-Y75 PolarHBondContact O-N 2.02Å; M72-Y75 PolarHBondContact O-N 3.35Å; W73-Y75 PolarHBondContact O-N 2.79Å; Y75-N77 PolarHBondContact O-N 3.13Å
76R44.2Very low39.3Very low137 Ų137107.7 Ų107.752%0.51754%0.54SS..G310 helixtrans-57.1-21.1-175.1-83.6176.3163.1-159-4116M72 W73 E74 R78M72-R76 PolarHBondContact O-N 3.11Å; W73-R76 VanDerWaalsContact CD1-NE 3.28Å; W73-R76 WeakPolarHBondContact O-CB 3.38Å; W73-R76 WeakPolarHBondContact O-CD 3.31Å; W73-R76 WeakPolarHBondContact O-CG 3.06Å; W73-R76 PolarHBondContact O-N 3.28Å; E74-R76 VanDerWaalsContact C-N 3.29Å; E74-R76 PolarHBondContact O-N 2.97Å; R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 3.48Å
77N41.2Very low39.2Very low160 Ų160107.2 Ų107.286%0.85653%0.53SS*.G310 helixtrans-85.514.3-169.9-95.4-51000115.4Y75Y75-N77 PolarHBondContact O-N 3.13Å
78R45.4Very low39.1Very low175 Ų175108.5 Ų108.566%0.6654%0.542SS*.G310 helixtrans-12118.3-175.8-71.6-167.6174.8178.80.4116.5R76R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 3.48Å
79G39.5Very low39.1Very low72 Ų72111.1 Ų111.174%0.74255%0.553SS**SBendtrans94.932.5164.100000116.6
80V40Very low39.3Very low32 Ų32114.7 Ų114.719%0.19457%0.571CS.*  trans-122.9124.9174179.80000109.5W51 V60 M82W51-V80 HydrophobicContact CH2-CB 4.26Å; W51-V80 HydrophobicContact CH2-CG1 4.17Å; W51-V80 HydrophobicContact CH2-CG2 4.03Å; W51-V80 HydrophobicContact CZ3-CG2 3.93Å; V60-V80 HydrophobicContact CG2-CG1 4.44Å; V80-M82 HydrophobicContact CG1-CG 4.13Å
81T39.8Very low38.8Very low119 Ų119112.9 Ų112.973%0.7357%0.572SS**  trans-83.3118174-45.10000109
82M38.1Very low38.6Very low50 Ų50116.2 Ų116.225%0.24661%0.605CS.*EExtended strand (participates in β ladder)trans-114.2128.7176.4-58.217859.800109.4V60 V62 M72 V80V60-M82 HydrophobicContact CB-CE 4.33Å; V60-M82 HydrophobicContact CB-CG 4.11Å; V60-M82 HydrophobicContact CG1-CE 3.9Å; V60-M82 WeakPolarHBondContact O-CA 3.47Å; V62-M82 HydrophobicContact CB-CE 4.2Å; V62-M82 HydrophobicContact CG2-CE 3.17Å; M72-M82 HydrophobicContact CB-CE 4.44Å; M72-M82 HydrophobicContact SD-CE 3.82Å; V80-M82 HydrophobicContact CG1-CG 4.13Å
83S40Very low38.5Very low59 Ų59118.2 Ų118.241%0.41362%0.617SS.*EExtended strand (participates in β ladder)trans-94.6126.5170.9-70.20000108.3V60 S61 V62V60-S83 PolarHBondContact O-N 3.16Å; V60-S83 VanDerWaalsContact O-N 3.08Å; S61-S83 VanDerWaalsContact CA-O 3.28Å; S61-S83 WeakPolarHBondContact CA-O 3.34Å; V62-S83 PolarHBondContact N-O 3.37Å; V62-S83 VanDerWaalsContact N-O 3.11Å
84V39.9Very low38.5Very low82 Ų82116.6 Ų116.650%0.49762%0.62SS.*  trans-96.1109.7172.31740000106.6V62 A64V62-V84 VanDerWaalsContact O-CA 3.31Å; V62-V84 WeakPolarHBondContact O-CA 2.87Å; V62-V84 WeakPolarHBondContact O-CG1 3.39Å; A64-V84 HydrophobicContact CB-CG1 3.54Å
85Q39.4Very low38.4Very low79 Ų79114.5 Ų114.537%0.36961%0.614SS.*  trans-88.3123.7169.2-81-179.3-51.600108.3A63A63-Q85 WeakPolarHBondContact CA-O 3.46Å
86G33.3Very low38.1Very low44 Ų44111.4 Ų111.445%0.45461%0.611SS.*  trans-63.8149.4168.700000109.7E88 D89G86-E88 PolarHBondContact O-N 2.98Å; G86-D89 WeakPolarHBondContact O-CB 3.47Å; G86-D89 PolarHBondContact O-N 2.99Å
87W33.4Very low37.7Very low179 Ų179109.8 Ų109.868%0.67862%0.617SS**G310 helixtrans-51.7-23174164.9-85.6000113.3D89W87-D89 VanDerWaalsContact C-N 3.26Å; W87-D89 PolarHBondContact O-N 3.39Å
88E35.5Very low37.5Very low182 Ų182106.4 Ų106.485%0.8560%0.601SS**G310 helixtrans-74-12.8178.8-57.3-169.599.100114.1G86G86-E88 PolarHBondContact O-N 2.98Å
89D38.4Very low36.9Very low116 Ų116101.5 Ų101.562%0.6260%0.597SS**G310 helixtrans-98.7-1.2-175-136.9-108.9000113.1G86 W87G86-D89 WeakPolarHBondContact O-CB 3.47Å; G86-D89 PolarHBondContact O-N 2.99Å; W87-D89 VanDerWaalsContact C-N 3.26Å; W87-D89 PolarHBondContact O-N 3.39Å
90V36.9Very low36.7Very low97 Ų97103.8 Ų103.859%0.58859%0.586SS**SBendtrans-109.311.3-169.2-132.80000114.1
91T27.7Very low36.5Very low111 Ų111109.8 Ų109.868%0.68162%0.618SS**  trans-98.2135.1170.810.70000109.6
92P35.1Very low36.2Very low199 Ų199108.9 Ų108.9100%1.29261%0.608SS**  trans-63.1017727.9-34.2000113

Retrieved 92 of 92 residues in 186 ms (Link to these results)