A0A077ZKX9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 66 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
1M51.8Low59.4Low232 Ų232125.7 Ų125.7100%1.14370%0.702SS**  01080-142.2168.7-169.400106.2H3M1-H3 PolarHBondContact O-N 2.98Å
2V40.2Very low59.7Low146 Ų146116.4 Ų116.489%0.88565%0.653SS**  trans-66.9104.1-179.3179.80000107.1S4V2-S4 PolarHBondContact O-N 3.05Å; V2-S4 VanDerWaalsContact O-N 3.09Å
3H58.5Low60Low178 Ų178111.5 Ų111.582%0.82464%0.636SS**  trans-74.391.1174.6-110.2116.2000107.4M1 Q5M1-H3 PolarHBondContact O-N 2.98Å; H3-Q5 PolarHBondContact O-N 3.09Å
4S66.2Low60.5Low99 Ų99109.9 Ų109.969%0.69264%0.635SS**  trans-69.7101.1166.250.50000107.4V2V2-S4 PolarHBondContact O-N 3.05Å; V2-S4 VanDerWaalsContact O-N 3.09Å
5Q62.7Low61.4Low168 Ų168107.6 Ų107.679%0.78562%0.619SS**  trans-49.4130.1171.2-89.8178-16.800108.6H3 T7H3-Q5 PolarHBondContact O-N 3.09Å; Q5-T7 PolarHBondContact O-N 2.96Å
6P59.2Low62.3Low85 Ų85106.2 Ų106.255%0.55261%0.612SS**  trans-62110.7171.827-32.7000107.4M10 V11P6-M10 HydrophobicContact CB-CB 4.47Å; P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 4.2Å
7T68.3Low63Low98 Ų98105.6 Ų105.660%0.60160%0.603SS**  trans-61.8152.1177.7-28.40000108.8Q5 G9 M10 V11Q5-T7 PolarHBondContact O-N 2.96Å; T7-G9 PolarHBondContact O-N 3.03Å; T7-M10 WeakPolarHBondContact O-CA 3.4Å; T7-M10 WeakPolarHBondContact O-CB 3.41Å; T7-M10 PolarHBondContact O-N 3.43Å; T7-V11 PolarHBondContact O-N 3.35Å; T7-V11 VanDerWaalsContact O-N 3.08Å
8L57.6Low63.9Low149 Ų149103.7 Ų103.778%0.7859%0.587SS**Hα-helixtrans-47.9-33.3178.3-73.4166.8000113.2A12L8-A12 VanDerWaalsContact O-CB 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 2.98Å
9G62.4Low64.7Low50 Ų5099.9 Ų99.952%0.51557%0.565SS.*Hα-helixtrans-68.3-35.7173.900000114.7T7 A13T7-G9 PolarHBondContact O-N 3.03Å; G9-A13 VanDerWaalsContact O-CB 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.42Å; G9-A13 PolarHBondContact O-N 3.32Å
10M63.2Low65.3Low120 Ų120105.3 Ų105.359%0.59158%0.577SS**Hα-helixtrans-71.2-38.3174.3-66179.66300111.3P6 T7 A13 S14P6-M10 HydrophobicContact CB-CB 4.47Å; T7-M10 WeakPolarHBondContact O-CA 3.4Å; T7-M10 WeakPolarHBondContact O-CB 3.41Å; T7-M10 PolarHBondContact O-N 3.43Å; M10-A13 PolarHBondContact O-N 3.48Å; M10-S14 PolarHBondContact O-N 3.49Å
11V63.1Low65.8Low58 Ų58110 Ų11035%0.35259%0.592SS.*Hα-helixtrans-68.6-46.4175.8-176.30000110.6P6 T7 A13 S14 I15P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 4.2Å; T7-V11 PolarHBondContact O-N 3.35Å; T7-V11 VanDerWaalsContact O-N 3.08Å; V11-A13 VanDerWaalsContact C-N 3.28Å; V11-A13 PolarHBondContact O-N 3.2Å; V11-S14 PolarHBondContact O-N 3.36Å; V11-S14 PolarHBondContact O-OG 3.1Å; V11-I15 HydrophobicContact CG1-CD1 4.13Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-I15 PolarHBondContact O-N 3.22Å
12A63.3Low67.2Low14 Ų14100.8 Ų100.812%0.11655%0.553CS.*Hα-helixtrans-65.3-29.2176.600000113.2L8 S14 L28 S29 M32L8-A12 VanDerWaalsContact O-CB 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 2.98Å; A12-S14 VanDerWaalsContact C-N 3.3Å; A12-L28 WeakPolarHBondContact O-CB 3.17Å; A12-S29 PolarHBondContact O-N 3.34Å; A12-S29 VanDerWaalsContact O-N 3.08Å; A12-M32 HydrophobicContact CB-SD 3.87Å
13A63.3Low69.5Low52 Ų5296.3 Ų96.343%0.4354%0.536SS..Hα-helixtrans-70.1-27.717200000112.8G9 M10 V11G9-A13 VanDerWaalsContact O-CB 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.42Å; G9-A13 PolarHBondContact O-N 3.32Å; M10-A13 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact C-N 3.28Å; V11-A13 PolarHBondContact O-N 3.2Å
14S67.4Low70.7Confident89 Ų8994 Ų9462%0.62252%0.521SS*.Hα-helixtrans-83.5-19.6178.366.90000114.8M10 V11 A12M10-S14 PolarHBondContact O-N 3.49Å; V11-S14 PolarHBondContact O-N 3.36Å; V11-S14 PolarHBondContact O-OG 3.1Å; A12-S14 VanDerWaalsContact C-N 3.3Å
15I73.6Confident71.4Confident76 Ų7696.9 Ų96.939%0.3952%0.518SS..  trans-84.4126.7177.3-61.2162.5000107.9V11 L28V11-I15 HydrophobicContact CG1-CD1 4.13Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-I15 PolarHBondContact O-N 3.22Å; I15-L28 HydrophobicContact CB-CB 3.91Å; I15-L28 HydrophobicContact CB-CD2 3.86Å; I15-L28 HydrophobicContact CD1-CD2 3.85Å; I15-L28 HydrophobicContact CG1-CD2 4.47Å; I15-L28 HydrophobicContact CG2-CB 4Å; I15-L28 HydrophobicContact CG2-CD2 3.83Å; I15-L28 HydrophobicContact CG2-CG 4.43Å; I15-L28 VanDerWaalsContact O-CB 3.23Å; I15-L28 WeakPolarHBondContact O-CB 3.47Å; I15-L28 PolarHBondContact O-N 3.27Å
16T76.6Confident72.1Confident85 Ų8590.6 Ų90.652%0.52149%0.488SS..EExtended strand (participates in β ladder)trans-105.9138.3170.4530000109.9K26T16-K26 CarbonylContact C-O 3.56Å; T16-K26 WeakPolarHBondContact CA-O 3.21Å
17E72.9Confident72.8Confident97 Ų9789.3 Ų89.345%0.45348%0.48SS..EExtended strand (participates in β ladder)trans-120.5145.3176.3-176.9170.6-163.200109.1D19 Y25 K26 L28 M31E17-D19 PolarHBondContact O-N 2.76Å; E17-Y25 CarbonylContact O-C 3.58Å; E17-Y25 WeakPolarHBondContact O-CA 3.44Å; E17-K26 PolarHBondContact N-O 3.3Å; E17-K26 PolarHBondContact O-N 3.08Å; E17-L28 WeakPolarHBondContact OE2-CD1 3.49Å; E17-M31 HydrophobicContact CB-CE 3.69Å; E17-M31 HydrophobicContact CB-SD 3.8Å; E17-M31 HydrophobicContact CG-CE 4Å; E17-M31 HydrophobicContact CG-SD 3.9Å; E17-M31 WeakPolarHBondContact O-CE 3.45Å
18F79.1Confident72.8Confident71 Ų7185.9 Ų85.931%0.31146%0.458SS..EExtended strand (participates in β ladder)trans-78.2115.6178.8-173.3-100.8000109.9Y20 Y25F18-Y20 AromaticContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD2 4.23Å; F18-Y20 HydrophobicContact CD1-CE1 4.04Å; F18-Y20 HydrophobicContact CD1-CE2 4.32Å; F18-Y20 HydrophobicContact CD1-CG 4.05Å; F18-Y20 AromaticContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CE1 4.29Å; F18-Y20 HydrophobicContact CE1-CG 4.33Å; F18-Y20 PolarHBondContact O-N 2.94Å; F18-Y20 VanDerWaalsContact O-N 3.16Å; F18-Y25 HydrophobicContact CB-CD1 4.03Å; F18-Y25 HydrophobicContact CB-CE1 3.84Å; F18-Y25 HydrophobicContact CD2-CD1 4.26Å; F18-Y25 AromaticContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CE1 4.07Å; F18-Y25 AromaticContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CG 4.2Å; F18-Y25 AromaticContact CD2-CZ 3.79Å; F18-Y25 HydrophobicContact CE2-CE2 4.28Å; F18-Y25 HydrophobicContact CG-CE1 4.43Å
19D79.3Confident73.3Confident32 Ų3280.7 Ų80.717%0.17143%0.434CS..EExtended strand (participates in β ladder)trans-78.999.2174-170.4-33.2000109E17 K21 A22 G23 Y24 K26 M31E17-D19 PolarHBondContact O-N 2.76Å; D19-K21 PolarHBondContact O-N 3.45Å; D19-K21 WeakPolarHBondContact OD1-CA 3.43Å; D19-K21 VanDerWaalsContact OD1-CB 3.26Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3Å; D19-A22 HydrophobicContact CB-CB 3.8Å; D19-A22 VanDerWaalsContact CG-CB 3.43Å; D19-A22 PolarHBondContact O-N 2.92Å; D19-A22 VanDerWaalsContact O-N 3.12Å; D19-A22 PolarHBondContact OD1-N 3.33Å; D19-G23 PolarHBondContact O-N 2.98Å; D19-Y24 WeakPolarHBondContact CB-O 3.38Å; D19-Y24 PolarHBondContact N-O 3.48Å; D19-K26 HydrophobicContact CB-CD 3.94Å; D19-K26 HydrophobicContact CB-CG 4.26Å; D19-K26 WeakPolarHBondContact OD2-CD 3.27Å; D19-K26 WeakPolarHBondContact OD2-CE 3.5Å; D19-K26 IonicContact OD2-NZ 2.67Å; D19-K26 PolarHBondContact OD2-NZ 3.45Å; D19-M31 HydrophobicContact CB-CE 3.77Å
20Y76.6Confident73.4Confident206 Ų20680 Ų8081%0.80842%0.421SS*.THydrogen-bonded Turntrans-58.1-27.2177.2-73-85.4000113.7F18F18-Y20 AromaticContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD2 4.23Å; F18-Y20 HydrophobicContact CD1-CE1 4.04Å; F18-Y20 HydrophobicContact CD1-CE2 4.32Å; F18-Y20 HydrophobicContact CD1-CG 4.05Å; F18-Y20 AromaticContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CE1 4.29Å; F18-Y20 HydrophobicContact CE1-CG 4.33Å; F18-Y20 PolarHBondContact O-N 2.94Å; F18-Y20 VanDerWaalsContact O-N 3.16Å
21K77.3Confident73.4Confident205 Ų20576 Ų7689%0.89140%0.402SS*.THydrogen-bonded Turntrans-79.7-36.3178.3-173.6-179.5-179.2-178.90111.2D19D19-K21 PolarHBondContact O-N 3.45Å; D19-K21 WeakPolarHBondContact OD1-CA 3.43Å; D19-K21 VanDerWaalsContact OD1-CB 3.26Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3Å
22A81.4Confident73.4Confident39 Ų3978 Ų7832%0.32241%0.408SS..THydrogen-bonded Turntrans-92.6-17.9-176.800000113.3D19 Y24D19-A22 HydrophobicContact CB-CB 3.8Å; D19-A22 VanDerWaalsContact CG-CB 3.43Å; D19-A22 PolarHBondContact O-N 2.92Å; D19-A22 VanDerWaalsContact O-N 3.12Å; D19-A22 PolarHBondContact OD1-N 3.33Å; A22-Y24 VanDerWaalsContact C-N 3.33Å; A22-Y24 HydrophobicContact CB-CD1 3.58Å; A22-Y24 HydrophobicContact CB-CE1 3.23Å; A22-Y24 HydrophobicContact CB-CG 4.44Å; A22-Y24 WeakPolarHBondContact O-CD1 3.46Å
23G86.8Confident73.3Confident52 Ų5283.6 Ų83.654%0.53643%0.432SS..THydrogen-bonded Turntrans7517.8-179.400000114.3D19D19-G23 PolarHBondContact O-N 2.98Å
24Y84.5Confident73.1Confident129 Ų12987.2 Ų87.251%0.50644%0.44SS..EExtended strand (participates in β ladder)trans-146160.9-179.564.4-92.7000113D19 A22 K26D19-Y24 WeakPolarHBondContact CB-O 3.38Å; D19-Y24 PolarHBondContact N-O 3.48Å; A22-Y24 VanDerWaalsContact C-N 3.33Å; A22-Y24 HydrophobicContact CB-CD1 3.58Å; A22-Y24 HydrophobicContact CB-CE1 3.23Å; A22-Y24 HydrophobicContact CB-CG 4.44Å; A22-Y24 WeakPolarHBondContact O-CD1 3.46Å; Y24-K26 HydrophobicContact CD2-CG 3.76Å; Y24-K26 HydrophobicContact CE2-CD 3.94Å; Y24-K26 HydrophobicContact CE2-CG 3.37Å; Y24-K26 WeakPolarHBondContact OH-CE 3.48Å; Y24-K26 PolarHBondContact OH-NZ 3.45Å
25Y80.4Confident72.6Confident160 Ų16085.8 Ų85.863%0.62743%0.433SS*.EExtended strand (participates in β ladder)trans-74.7127.5176.1-67.7-90.3000111E17 F18E17-Y25 CarbonylContact O-C 3.58Å; E17-Y25 WeakPolarHBondContact O-CA 3.44Å; F18-Y25 HydrophobicContact CB-CD1 4.03Å; F18-Y25 HydrophobicContact CB-CE1 3.84Å; F18-Y25 HydrophobicContact CD2-CD1 4.26Å; F18-Y25 AromaticContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CE1 4.07Å; F18-Y25 AromaticContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CG 4.2Å; F18-Y25 AromaticContact CD2-CZ 3.79Å; F18-Y25 HydrophobicContact CE2-CE2 4.28Å; F18-Y25 HydrophobicContact CG-CE1 4.43Å
26K77.1Confident71.9Confident36 Ų3688.7 Ų88.716%0.15744%0.443CS..EExtended strand (participates in β ladder)trans-115.1148.4172.6-64.5176.5178174.60110.3T16 E17 D19 Y24 L28 M31T16-K26 CarbonylContact C-O 3.56Å; T16-K26 WeakPolarHBondContact CA-O 3.21Å; E17-K26 PolarHBondContact N-O 3.3Å; E17-K26 PolarHBondContact O-N 3.08Å; D19-K26 HydrophobicContact CB-CD 3.94Å; D19-K26 HydrophobicContact CB-CG 4.26Å; D19-K26 WeakPolarHBondContact OD2-CD 3.27Å; D19-K26 WeakPolarHBondContact OD2-CE 3.5Å; D19-K26 IonicContact OD2-NZ 2.67Å; D19-K26 PolarHBondContact OD2-NZ 3.45Å; Y24-K26 HydrophobicContact CD2-CG 3.76Å; Y24-K26 HydrophobicContact CE2-CD 3.94Å; Y24-K26 HydrophobicContact CE2-CG 3.37Å; Y24-K26 WeakPolarHBondContact OH-CE 3.48Å; Y24-K26 PolarHBondContact OH-NZ 3.45Å; K26-L28 PolarHBondContact O-N 3.21Å; K26-M31 HydrophobicContact CB-CE 3.68Å; K26-M31 HydrophobicContact CB-CG 4.28Å; K26-M31 HydrophobicContact CD-CE 4.39Å; K26-M31 HydrophobicContact CG-CE 4.34Å
27P74.8Confident71Confident57 Ų5788.9 Ų88.937%0.3744%0.444SS..EExtended strand (participates in β ladder)trans-55.5134.6167.7-22.133000110.4S29 S30 M31P27-S29 PolarHBondContact O-N 3.05Å; P27-S30 WeakPolarHBondContact O-CA 3.49Å; P27-S30 VanDerWaalsContact O-CB 3.3Å; P27-S30 WeakPolarHBondContact O-CB 3.2Å; P27-S30 PolarHBondContact O-N 2.95Å; P27-M31 PolarHBondContact O-N 2.89Å
28L68.8Low70.3Confident27 Ų2790.8 Ų90.814%0.14145%0.448CS..Hα-helixtrans-58.2-31.4177.4-178.473000110.3A12 I15 E17 K26 S30 M31 M32A12-L28 WeakPolarHBondContact O-CB 3.17Å; I15-L28 HydrophobicContact CB-CB 3.91Å; I15-L28 HydrophobicContact CB-CD2 3.86Å; I15-L28 HydrophobicContact CD1-CD2 3.85Å; I15-L28 HydrophobicContact CG1-CD2 4.47Å; I15-L28 HydrophobicContact CG2-CB 4Å; I15-L28 HydrophobicContact CG2-CD2 3.83Å; I15-L28 HydrophobicContact CG2-CG 4.43Å; I15-L28 VanDerWaalsContact O-CB 3.23Å; I15-L28 WeakPolarHBondContact O-CB 3.47Å; I15-L28 PolarHBondContact O-N 3.27Å; E17-L28 WeakPolarHBondContact OE2-CD1 3.49Å; K26-L28 PolarHBondContact O-N 3.21Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-S30 PolarHBondContact O-N 3.31Å; L28-M31 CarbonylContact O-C 3.59Å; L28-M31 PolarHBondContact O-N 2.92Å; L28-M32 HydrophobicContact CD1-CE 4.29Å; L28-M32 HydrophobicContact CD1-CG 4.33Å; L28-M32 HydrophobicContact CD2-CE 3.57Å; L28-M32 HydrophobicContact CD2-SD 4.07Å; L28-M32 HydrophobicContact CG-CE 3.84Å; L28-M32 HydrophobicContact CG-CG 4.01Å; L28-M32 HydrophobicContact CG-SD 3.9Å; L28-M32 WeakPolarHBondContact O-CB 3.43Å; L28-M32 VanDerWaalsContact O-CG 3.24Å; L28-M32 WeakPolarHBondContact O-CG 3.23Å; L28-M32 PolarHBondContact O-N 3.12Å
29S66.9Low69.1Low39 Ų3989 Ų8927%0.27344%0.44SS..Hα-helixtrans-56.1-40.1170.760.60000113.3A12 P27 Q33A12-S29 PolarHBondContact O-N 3.34Å; A12-S29 VanDerWaalsContact O-N 3.08Å; P27-S29 PolarHBondContact O-N 3.05Å; S29-Q33 WeakPolarHBondContact O-CB 3.37Å; S29-Q33 VanDerWaalsContact O-CG 3.24Å; S29-Q33 WeakPolarHBondContact O-CG 3.24Å; S29-Q33 PolarHBondContact O-N 2.66Å
30S66.1Low67.8Low36 Ų3695 Ų9525%0.25247%0.467SS..Hα-helixtrans-68.6-45.4175.9-179.20000110.4P27 L28 M32 Q33 H34P27-S30 WeakPolarHBondContact O-CA 3.49Å; P27-S30 VanDerWaalsContact O-CB 3.3Å; P27-S30 WeakPolarHBondContact O-CB 3.2Å; P27-S30 PolarHBondContact O-N 2.95Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-S30 PolarHBondContact O-N 3.31Å; S30-M32 PolarHBondContact O-N 3.2Å; S30-Q33 PolarHBondContact O-N 3.03Å; S30-H34 PolarHBondContact O-CD2 3Å; S30-H34 PolarHBondContact O-N 3.35Å
31M62.8Low66.8Low37 Ų3792.7 Ų92.718%0.18246%0.463CS..Hα-helixtrans-65.7-38.2177.1-61.4-157.6-167.800112.8E17 D19 K26 P27 L28 H34 A35E17-M31 HydrophobicContact CB-CE 3.69Å; E17-M31 HydrophobicContact CB-SD 3.8Å; E17-M31 HydrophobicContact CG-CE 4Å; E17-M31 HydrophobicContact CG-SD 3.9Å; E17-M31 WeakPolarHBondContact O-CE 3.45Å; D19-M31 HydrophobicContact CB-CE 3.77Å; K26-M31 HydrophobicContact CB-CE 3.68Å; K26-M31 HydrophobicContact CB-CG 4.28Å; K26-M31 HydrophobicContact CD-CE 4.39Å; K26-M31 HydrophobicContact CG-CE 4.34Å; P27-M31 PolarHBondContact O-N 2.89Å; L28-M31 CarbonylContact O-C 3.59Å; L28-M31 PolarHBondContact O-N 2.92Å; M31-H34 CarbonylContact O-C 3.54Å; M31-H34 WeakPolarHBondContact O-CB 3.24Å; M31-H34 PolarHBondContact O-N 3.48Å; M31-A35 WeakPolarHBondContact O-CB 3.45Å; M31-A35 PolarHBondContact O-N 3.22Å
32M61.7Low65.8Low98 Ų9889.7 Ų89.748%0.48345%0.45SS..Hα-helixtrans-67.2-37.3176.2-79.1-179.1163.400111.8A12 L28 S30 H34 A35 F36A12-M32 HydrophobicContact CB-SD 3.87Å; L28-M32 HydrophobicContact CD1-CE 4.29Å; L28-M32 HydrophobicContact CD1-CG 4.33Å; L28-M32 HydrophobicContact CD2-CE 3.57Å; L28-M32 HydrophobicContact CD2-SD 4.07Å; L28-M32 HydrophobicContact CG-CE 3.84Å; L28-M32 HydrophobicContact CG-CG 4.01Å; L28-M32 HydrophobicContact CG-SD 3.9Å; L28-M32 WeakPolarHBondContact O-CB 3.43Å; L28-M32 VanDerWaalsContact O-CG 3.24Å; L28-M32 WeakPolarHBondContact O-CG 3.23Å; L28-M32 PolarHBondContact O-N 3.12Å; S30-M32 PolarHBondContact O-N 3.2Å; M32-H34 VanDerWaalsContact C-N 3.33Å; M32-A35 PolarHBondContact O-N 3Å; M32-F36 VanDerWaalsContact O-CB 3.23Å; M32-F36 WeakPolarHBondContact O-CB 3.35Å; M32-F36 PolarHBondContact O-N 3.41Å
33Q62.3Low64.5Low132 Ų13291 Ų9162%0.61747%0.468SS*.Hα-helixtrans-61.5-44.1170.4-77.9173.7-18.800110.8S29 S30 F36 V37S29-Q33 WeakPolarHBondContact O-CB 3.37Å; S29-Q33 VanDerWaalsContact O-CG 3.24Å; S29-Q33 WeakPolarHBondContact O-CG 3.24Å; S29-Q33 PolarHBondContact O-N 2.66Å; S30-Q33 PolarHBondContact O-N 3.03Å; Q33-F36 PolarHBondContact O-N 3.47Å; Q33-V37 WeakPolarHBondContact O-CB 3.38Å; Q33-V37 VanDerWaalsContact O-CG2 3.24Å; Q33-V37 WeakPolarHBondContact O-CG2 3.5Å; Q33-V37 PolarHBondContact O-N 3.22Å
34H59.1Low63.1Low129 Ų12993.7 Ų93.760%0.59747%0.468SS*.Hα-helixtrans-64.8-40175.3-76.9-72.1000112.5S30 M31 M32 Y38S30-H34 PolarHBondContact O-CD2 3Å; S30-H34 PolarHBondContact O-N 3.35Å; M31-H34 CarbonylContact O-C 3.54Å; M31-H34 WeakPolarHBondContact O-CB 3.24Å; M31-H34 PolarHBondContact O-N 3.48Å; M32-H34 VanDerWaalsContact C-N 3.33Å; H34-Y38 VanDerWaalsContact O-CB 3.26Å; H34-Y38 WeakPolarHBondContact O-CB 3.42Å; H34-Y38 PolarHBondContact O-N 3.32Å
35A57.4Low61.8Low58 Ų5893.1 Ų93.148%0.47947%0.469SS..Hα-helixtrans-66.5-41.2176.300000111.5M31 M32 Y38 Q39M31-A35 WeakPolarHBondContact O-CB 3.45Å; M31-A35 PolarHBondContact O-N 3.22Å; M32-A35 PolarHBondContact O-N 3Å; A35-Y38 PolarHBondContact O-N 3.28Å; A35-Q39 VanDerWaalsContact O-CB 3.3Å; A35-Q39 WeakPolarHBondContact O-CB 3.47Å; A35-Q39 PolarHBondContact O-N 3.33Å
36F59Low60.8Low138 Ų13889.9 Ų89.961%0.60547%0.468SS*.Hα-helixtrans-64.2-44.4176.7-174.3-97.4000111.8M32 Q33 Y38 Q39 H40M32-F36 VanDerWaalsContact O-CB 3.23Å; M32-F36 WeakPolarHBondContact O-CB 3.35Å; M32-F36 PolarHBondContact O-N 3.41Å; Q33-F36 PolarHBondContact O-N 3.47Å; F36-Y38 VanDerWaalsContact C-N 3.35Å; F36-Q39 WeakPolarHBondContact O-CB 3.3Å; F36-Q39 PolarHBondContact O-N 3Å; F36-H40 PolarHBondContact O-N 3.03Å
37V57.9Low60.2Low88 Ų8893.5 Ų93.553%0.53349%0.489SS..Hα-helixtrans-65.7-38.5175.4174.10000111.2Q33 Q39 H40 H41Q33-V37 WeakPolarHBondContact O-CB 3.38Å; Q33-V37 VanDerWaalsContact O-CG2 3.24Å; Q33-V37 WeakPolarHBondContact O-CG2 3.5Å; Q33-V37 PolarHBondContact O-N 3.22Å; V37-Q39 VanDerWaalsContact C-N 3.33Å; V37-H40 PolarHBondContact O-N 3.45Å; V37-H41 PolarHBondContact O-N 3.35Å; V37-H41 VanDerWaalsContact O-N 3.14Å
38Y56.5Low59.8Low137 Ų13794.3 Ų94.354%0.53749%0.493SS..Hα-helixtrans-66.9-35.3174.7-165.9-97.6000112.1H34 A35 F36 H41 K42H34-Y38 VanDerWaalsContact O-CB 3.26Å; H34-Y38 WeakPolarHBondContact O-CB 3.42Å; H34-Y38 PolarHBondContact O-N 3.32Å; A35-Y38 PolarHBondContact O-N 3.28Å; F36-Y38 VanDerWaalsContact C-N 3.35Å; Y38-H41 PolarHBondContact O-N 3.46Å; Y38-K42 HydrophobicContact CD1-CD 4.43Å; Y38-K42 HydrophobicContact CE1-CD 3.65Å; Y38-K42 HydrophobicContact CE1-CG 4.27Å; Y38-K42 HydrophobicContact CE2-CD 4.35Å; Y38-K42 VanDerWaalsContact CZ-CE 3.46Å; Y38-K42 PolarHBondContact O-N 2.9Å; Y38-K42 VanDerWaalsContact OH-CE 3.23Å; Y38-K42 WeakPolarHBondContact OH-CE 3.23Å; Y38-K42 PolarHBondContact OH-NZ 2.96Å
39Q53.9Low59.6Low34 Ų3498.8 Ų98.816%0.15951%0.511CS..Hα-helixtrans-68.4-37.7176.3-148.3174.919.900111.9A35 F36 V37 H41 K42 G43 M44A35-Q39 VanDerWaalsContact O-CB 3.3Å; A35-Q39 WeakPolarHBondContact O-CB 3.47Å; A35-Q39 PolarHBondContact O-N 3.33Å; F36-Q39 WeakPolarHBondContact O-CB 3.3Å; F36-Q39 PolarHBondContact O-N 3Å; V37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-H41 VanDerWaalsContact C-N 3.28Å; Q39-H41 PolarHBondContact O-N 3.08Å; Q39-K42 PolarHBondContact O-N 3.28Å; Q39-G43 PolarHBondContact O-N 2.71Å; Q39-M44 HydrophobicContact CG-CB 3.41Å; Q39-M44 VanDerWaalsContact CG-CB 3.41Å; Q39-M44 HydrophobicContact CG-CE 3.94Å
40H52.2Low59.8Low159 Ų159100.3 Ų100.374%0.73652%0.521SS*.Hα-helixtrans-64.4-32.7172.4-167.3-95.2000112.1F36 V37F36-H40 PolarHBondContact O-N 3.03Å; V37-H40 PolarHBondContact O-N 3.45Å
41H55.9Low60.2Low157 Ų157108.4 Ų108.473%0.72755%0.546SS*.Hα-helixtrans-84.5-20179.5-105.8-81.7000115.1V37 Y38 Q39V37-H41 PolarHBondContact O-N 3.35Å; V37-H41 VanDerWaalsContact O-N 3.14Å; Y38-H41 PolarHBondContact O-N 3.46Å; Q39-H41 VanDerWaalsContact C-N 3.28Å; Q39-H41 PolarHBondContact O-N 3.08Å
42K56.7Low60.6Low141 Ų141111.3 Ų111.361%0.61357%0.565SS**Hα-helixtrans-118.910.7-175.8-68.2-155176.4-174.70115.7Y38 Q39 M44Y38-K42 HydrophobicContact CD1-CD 4.43Å; Y38-K42 HydrophobicContact CE1-CD 3.65Å; Y38-K42 HydrophobicContact CE1-CG 4.27Å; Y38-K42 HydrophobicContact CE2-CD 4.35Å; Y38-K42 VanDerWaalsContact CZ-CE 3.46Å; Y38-K42 PolarHBondContact O-N 2.9Å; Y38-K42 VanDerWaalsContact OH-CE 3.23Å; Y38-K42 WeakPolarHBondContact OH-CE 3.23Å; Y38-K42 PolarHBondContact OH-NZ 2.96Å; Q39-K42 PolarHBondContact O-N 3.28Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 3.2Å
43G54.4Low61.2Low67 Ų67108.5 Ų108.569%0.69156%0.558SS**THydrogen-bonded Turntrans61.631.7170.500000113.9Q39 H45Q39-G43 PolarHBondContact O-N 2.71Å; G43-H45 PolarHBondContact O-N 3.36Å
44M55.9Low62.2Low109 Ų109107.2 Ų107.254%0.53756%0.559SS.*  trans-69.8118.7178.6-128.9173.858.800109.1Q39 K42Q39-M44 HydrophobicContact CG-CB 3.41Å; Q39-M44 VanDerWaalsContact CG-CB 3.41Å; Q39-M44 HydrophobicContact CG-CE 3.94Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 3.2Å
45H58.1Low63.2Low116 Ų116103.5 Ų103.554%0.53755%0.55SS.*  trans-52.2127.7-169.7-139-98.7000111.5G43 L47 T48G43-H45 PolarHBondContact O-N 3.36Å; H45-L47 WeakPolarHBondContact ND1-CD1 3.48Å; H45-L47 WeakPolarHBondContact ND1-CG 3.24Å; H45-L47 PolarHBondContact O-N 3.4Å; H45-T48 WeakPolarHBondContact O-CB 3.41Å; H45-T48 PolarHBondContact O-N 2.89Å
46P59.6Low63.9Low93 Ų93106.5 Ų106.560%0.60456%0.556SS**Hα-helixtrans-57.3-24.8-17820.9-32.2000112.7T48 F49 C50P46-T48 VanDerWaalsContact C-N 3.27Å; P46-T48 PolarHBondContact O-N 3.08Å; P46-F49 PolarHBondContact O-N 3.21Å; P46-C50 PolarHBondContact O-N 3.01Å; P46-C50 PolarHBondContact O-SG 3.4Å; P46-C50 VanDerWaalsContact O-SG 3.41Å
47L64.5Low64.7Low112 Ų112103.2 Ų103.259%0.58655%0.55SS**Hα-helixtrans-57.9-36.2173.5-64178.7000113.1H45 C50 R51H45-L47 WeakPolarHBondContact ND1-CD1 3.48Å; H45-L47 WeakPolarHBondContact ND1-CG 3.24Å; H45-L47 PolarHBondContact O-N 3.4Å; L47-C50 PolarHBondContact O-N 2.91Å; L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 3.24Å
48T66.5Low65.8Low74 Ų74101.6 Ų101.645%0.45455%0.546SS..Hα-helixtrans-69.7-40.8178.8-51.20000110.9H45 P46 R51 V52H45-T48 WeakPolarHBondContact O-CB 3.41Å; H45-T48 PolarHBondContact O-N 2.89Å; P46-T48 VanDerWaalsContact C-N 3.27Å; P46-T48 PolarHBondContact O-N 3.08Å; T48-R51 PolarHBondContact O-N 2.82Å; T48-V52 WeakPolarHBondContact O-CG2 3.48Å; T48-V52 PolarHBondContact O-N 3.4Å; T48-V52 VanDerWaalsContact O-N 3.08Å
49F63.5Low67Low121 Ų121100.5 Ų100.553%0.53155%0.549SS..Hα-helixtrans-62.1-46.7174.2-179.1-96.9000111.2P46 R51 V52 A53P46-F49 PolarHBondContact O-N 3.21Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 3.33Å; F49-V52 PolarHBondContact O-N 2.96Å; F49-A53 WeakPolarHBondContact O-CB 3.37Å; F49-A53 PolarHBondContact O-N 2.74Å
50C71.3Confident68.2Low71 Ų71102.3 Ų102.348%0.4856%0.563SS.*Hα-helixtrans-58.3-40175.9-680000112.2P46 L47 A53 V54P46-C50 PolarHBondContact O-N 3.01Å; P46-C50 PolarHBondContact O-SG 3.4Å; P46-C50 VanDerWaalsContact O-SG 3.41Å; L47-C50 PolarHBondContact O-N 2.91Å; C50-A53 PolarHBondContact O-N 2.96Å; C50-V54 WeakPolarHBondContact O-CB 3.04Å; C50-V54 WeakPolarHBondContact O-CG2 3.26Å; C50-V54 PolarHBondContact O-N 3.06Å
51R74.3Confident69.3Low205 Ų20598.8 Ų98.877%0.77455%0.552SS**Hα-helixtrans-64.7-44.7178.1-69.2-120.8175.8145.5-2.1112.5L47 T48 F49 V54 A55L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 3.24Å; T48-R51 PolarHBondContact O-N 2.82Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 3.33Å; R51-V54 PolarHBondContact O-N 3.34Å; R51-A55 WeakPolarHBondContact O-CB 3.3Å; R51-A55 PolarHBondContact O-N 2.79Å
52V72.5Confident70.4Confident98 Ų9894.7 Ų94.759%0.59454%0.538SS*.Hα-helixtrans-65.6-42177.6176.70000110.5T48 F49 A55 M56T48-V52 WeakPolarHBondContact O-CG2 3.48Å; T48-V52 PolarHBondContact O-N 3.4Å; T48-V52 VanDerWaalsContact O-N 3.08Å; F49-V52 PolarHBondContact O-N 2.96Å; V52-A55 PolarHBondContact O-N 3.47Å; V52-M56 WeakPolarHBondContact O-CB 3.34Å; V52-M56 PolarHBondContact O-N 3.35Å
53A74.7Confident71.4Confident40 Ų4093.9 Ų93.933%0.33154%0.54SS..Hα-helixtrans-62-46.1176.900000112.1F49 C50 A55 M56 S57F49-A53 WeakPolarHBondContact O-CB 3.37Å; F49-A53 PolarHBondContact O-N 2.74Å; C50-A53 PolarHBondContact O-N 2.96Å; A53-A55 PolarHBondContact O-N 3.06Å; A53-M56 PolarHBondContact O-N 2.77Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.4Å
54V81.8Confident72.5Confident104 Ų10496.8 Ų96.863%0.6354%0.538SS*.Hα-helixtrans-61.3-43.3176.8169.80000111.3C50 R51 S57 A58C50-V54 WeakPolarHBondContact O-CB 3.04Å; C50-V54 WeakPolarHBondContact O-CG2 3.26Å; C50-V54 PolarHBondContact O-N 3.06Å; R51-V54 PolarHBondContact O-N 3.34Å; V54-S57 PolarHBondContact O-N 2.95Å; V54-A58 WeakPolarHBondContact O-CB 3.35Å; V54-A58 PolarHBondContact O-N 2.83Å
55A80.2Confident73.4Confident51 Ų5198.5 Ų98.542%0.42155%0.549SS..Hα-helixtrans-62.5-43.9177.100000112.1R51 V52 A53 A58 L59R51-A55 WeakPolarHBondContact O-CB 3.3Å; R51-A55 PolarHBondContact O-N 2.79Å; V52-A55 PolarHBondContact O-N 3.47Å; A53-A55 PolarHBondContact O-N 3.06Å; A55-A58 PolarHBondContact O-N 3.22Å; A55-L59 WeakPolarHBondContact O-CD1 3.37Å; A55-L59 PolarHBondContact O-N 3.45Å
56M71.8Confident73.5Confident121 Ų121104.8 Ų104.860%0.59657%0.568SS**Hα-helixtrans-65.3-42.7178.3-16665.8178.200111.7V52 A53 A58 L59 T60V52-M56 WeakPolarHBondContact O-CB 3.34Å; V52-M56 PolarHBondContact O-N 3.35Å; A53-M56 PolarHBondContact O-N 2.77Å; M56-A58 VanDerWaalsContact C-N 3.34Å; M56-A58 PolarHBondContact O-N 3.19Å; M56-L59 WeakPolarHBondContact O-CB 3.18Å; M56-L59 PolarHBondContact O-N 3.06Å; M56-T60 PolarHBondContact O-N 3.24Å; M56-T60 PolarHBondContact O-OG1 2.67Å; M56-T60 VanDerWaalsContact O-OG1 3.12Å
57S76.9Confident74.2Confident70 Ų70105.4 Ų105.449%0.4957%0.566SS.*Hα-helixtrans-61.4-40.6174.5-66.80000112.3A53 V54 T60 V61A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.4Å; V54-S57 PolarHBondContact O-N 2.95Å; S57-T60 PolarHBondContact O-N 2.85Å; S57-V61 WeakPolarHBondContact O-CG2 3.19Å; S57-V61 PolarHBondContact O-N 2.87Å; S57-V61 VanDerWaalsContact O-N 3.1Å
58A80.7Confident74.7Confident53 Ų53105 Ų10544%0.43857%0.565SS.*Hα-helixtrans-65.4-41.1176.700000112.2V54 A55 M56 T60 V61 V62V54-A58 WeakPolarHBondContact O-CB 3.35Å; V54-A58 PolarHBondContact O-N 2.83Å; A55-A58 PolarHBondContact O-N 3.22Å; M56-A58 VanDerWaalsContact C-N 3.34Å; M56-A58 PolarHBondContact O-N 3.19Å; A58-T60 VanDerWaalsContact C-N 3.32Å; A58-T60 PolarHBondContact O-N 3.22Å; A58-V61 PolarHBondContact O-N 3.46Å; A58-V62 WeakPolarHBondContact O-CG2 3.23Å; A58-V62 PolarHBondContact O-N 2.88Å
59L81.7Confident75.2Confident114 Ų114106.7 Ų106.760%0.59757%0.571SS**Hα-helixtrans-59.3-42.1174.1-82.3154.2000111.7A55 M56 V62 N63A55-L59 WeakPolarHBondContact O-CD1 3.37Å; A55-L59 PolarHBondContact O-N 3.45Å; M56-L59 WeakPolarHBondContact O-CB 3.18Å; M56-L59 PolarHBondContact O-N 3.06Å; L59-V62 PolarHBondContact O-N 3.18Å; L59-N63 WeakPolarHBondContact O-CB 2.97Å; L59-N63 PolarHBondContact O-N 3.26Å
60T78.4Confident75.9Confident73 Ų73105.9 Ų105.945%0.44857%0.574SS.*Hα-helixtrans-62.7-44175.9-54.80000112.1M56 S57 A58 V62 N63 I64M56-T60 PolarHBondContact O-N 3.24Å; M56-T60 PolarHBondContact O-OG1 2.67Å; M56-T60 VanDerWaalsContact O-OG1 3.12Å; S57-T60 PolarHBondContact O-N 2.85Å; A58-T60 VanDerWaalsContact C-N 3.32Å; A58-T60 PolarHBondContact O-N 3.22Å; T60-V62 VanDerWaalsContact C-N 3.32Å; T60-V62 PolarHBondContact O-N 2.9Å; T60-N63 PolarHBondContact O-N 3.14Å; T60-I64 HydrophobicContact CG2-CD1 3.82Å; T60-I64 HydrophobicContact CG2-CG1 4.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.26Å; T60-I64 PolarHBondContact O-N 2.91Å
61V75.5Confident76.2Confident84 Ų84108.1 Ų108.151%0.50958%0.58SS.*Hα-helixtrans-60.9-42.6177174.20000111S57 A58 N63 I64 L65S57-V61 WeakPolarHBondContact O-CG2 3.19Å; S57-V61 PolarHBondContact O-N 2.87Å; S57-V61 VanDerWaalsContact O-N 3.1Å; A58-V61 PolarHBondContact O-N 3.46Å; V61-N63 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 3.16Å; V61-I64 PolarHBondContact O-N 3.47Å; V61-L65 HydrophobicContact CG1-CD1 4.1Å; V61-L65 WeakPolarHBondContact O-CG 3.38Å; V61-L65 PolarHBondContact O-N 2.79Å
62V80Confident76.3Confident71 Ų71101.6 Ų101.643%0.4357%0.567SS.*Hα-helixtrans-66.9-35.7177.6174.40000112.1A58 L59 T60 L65 R66A58-V62 WeakPolarHBondContact O-CG2 3.23Å; A58-V62 PolarHBondContact O-N 2.88Å; L59-V62 PolarHBondContact O-N 3.18Å; T60-V62 VanDerWaalsContact C-N 3.32Å; T60-V62 PolarHBondContact O-N 2.9Å; V62-L65 PolarHBondContact O-N 2.75Å; V62-R66 VanDerWaalsContact CG1-NH1 3.27Å; V62-R66 PolarHBondContact O-N 3.12Å
63N76.9Confident76.6Confident124 Ų124101.9 Ų101.966%0.66357%0.565SS**Hα-helixtrans-77.2-20178.6-155.241.2000113.5L59 T60 V61L59-N63 WeakPolarHBondContact O-CB 2.97Å; L59-N63 PolarHBondContact O-N 3.26Å; T60-N63 PolarHBondContact O-N 3.14Å; V61-N63 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 3.16Å
64I77.8Confident76.7Confident128 Ų128106.6 Ų106.666%0.65658%0.583SS**Hα-helixtrans-80.3-30.4172.2-70.2166.9000111.2T60 V61T60-I64 HydrophobicContact CG2-CD1 3.82Å; T60-I64 HydrophobicContact CG2-CG1 4.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.26Å; T60-I64 PolarHBondContact O-N 2.91Å; V61-I64 PolarHBondContact O-N 3.47Å
65L74.8Confident76.3Confident146 Ų146106.8 Ų106.876%0.76458%0.579SS**  trans-84.9-9.1179.5-69.6172.7000113.8V61 V62V61-L65 HydrophobicContact CG1-CD1 4.1Å; V61-L65 WeakPolarHBondContact O-CG 3.38Å; V61-L65 PolarHBondContact O-N 2.79Å; V62-L65 PolarHBondContact O-N 2.75Å
66R61.1Low75.9Confident247 Ų247111.9 Ų111.993%0.93259%0.593SS**  trans-980169.4-75.1-164.4174.1108.11.7110.1V62V62-R66 VanDerWaalsContact CG1-NH1 3.27Å; V62-R66 PolarHBondContact O-N 3.12Å

Retrieved 66 of 66 residues in 18.9 ms (Link to these results)