A0A5K4F9I3_SCHMA Loading...

Tudor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9I3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 70 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
1M31.9Very low48.5Very low227 Ų227128.6 Ų128.6100%1.11866%0.658SS**  0108.60-164.7176.6-173.300107.5K3M1-K3 PolarHBondContact O-N 3.43Å
2C25.4Very low50Low110 Ų110122 Ų12274%0.74362%0.624SS**  trans-65.4114.3168.1-83.90000107.3
3K28.2Very low51Low187 Ų187122.4 Ų122.481%0.81362%0.619SS**  trans-78.8118.9170.1-69.3-176.2177.5-178.60106.9M1 L5M1-K3 PolarHBondContact O-N 3.43Å; K3-L5 PolarHBondContact O-N 3.19Å
4Y39.6Very low51.8Low222 Ų222115.5 Ų115.587%0.87158%0.584SS**  trans-66.6102.5170.5-57.4-88.6000107.3N6Y4-N6 PolarHBondContact O-N 3.4Å
5L39.8Very low52.5Low152 Ų152111.8 Ų111.880%0.79659%0.586SS**  trans-69.7119.9155.6-84.4152.4000104.5K3 S7K3-L5 PolarHBondContact O-N 3.19Å; L5-S7 PolarHBondContact O-N 3.14Å
6N47.5Very low53.4Low152 Ų152114.4 Ų114.481%0.81360%0.601SS**  trans-34.2117.5169.6-67.4-33.2000108.5Y4 P8Y4-N6 PolarHBondContact O-N 3.4Å; N6-P8 WeakPolarHBondContact O-CD 3.49Å; N6-P8 WeakPolarHBondContact O-CG 3.32Å
7S53.5Low53.7Low62 Ų62115.5 Ų115.543%0.43460%0.599SS.*  trans-45.2103.2-173.4-56.70000109.4L5 L9L5-S7 PolarHBondContact O-N 3.14Å; S7-L9 PolarHBondContact O-N 2.83Å
8P63.9Low53.6Low49 Ų49113.4 Ų113.432%0.31859%0.589SS.*PPolyproline II helixtrans-66.2128.3-171.1-15.828.5000107.2N6 I10 Y24N6-P8 WeakPolarHBondContact O-CD 3.49Å; N6-P8 WeakPolarHBondContact O-CG 3.32Å; P8-I10 PolarHBondContact O-N 2.86Å; P8-Y24 HydrophobicContact CB-CE1 3.77Å; P8-Y24 WeakPolarHBondContact CB-OH 3.19Å; P8-Y24 HydrophobicContact CG-CE1 4.1Å; P8-Y24 HydrophobicContact CG-CE2 4.15Å; P8-Y24 WeakPolarHBondContact CG-OH 3.28Å; P8-Y24 VanDerWaalsContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CE1 3.43Å
9L65.2Low54.1Low109 Ų109109.8 Ų109.857%0.57157%0.571SS**EExtended strand (participates in β ladder)trans-80118.1169.4-63.7176.6000106.7S7 F21 A23S7-L9 PolarHBondContact O-N 2.83Å; L9-F21 HydrophobicContact CD2-CD2 3.84Å; L9-F21 HydrophobicContact CD2-CE2 4.35Å; L9-A23 HydrophobicContact CD2-CB 3.97Å
10I70.8Confident54.9Low61 Ų61104.4 Ų104.431%0.31354%0.543SS..EExtended strand (participates in β ladder)trans-100.8125.9167.9-73.5168000107.6P8 I12 F21 V22 Y24P8-I10 PolarHBondContact O-N 2.86Å; I10-I12 HydrophobicContact CG2-CG1 4.28Å; I10-I12 PolarHBondContact O-N 2.78Å; I10-F21 WeakPolarHBondContact O-CA 3.39Å; I10-V22 PolarHBondContact N-O 3.06Å; I10-V22 VanDerWaalsContact N-O 3.16Å; I10-V22 PolarHBondContact O-N 3.21Å; I10-Y24 HydrophobicContact CB-CE1 4.39Å; I10-Y24 HydrophobicContact CD1-CD1 4.06Å; I10-Y24 HydrophobicContact CD1-CE1 3.23Å; I10-Y24 HydrophobicContact CG1-CD1 4.46Å; I10-Y24 HydrophobicContact CG1-CE1 3.64Å
11D67.5Low55.8Low84 Ų84102.4 Ų102.445%0.44953%0.53SS..EExtended strand (participates in β ladder)trans-71.3124.9167.4-68.8-46.9000108.8R43D11-R43 IonicContact OD1-CZ 3.43Å; D11-R43 IonicContact OD1-NE 3.29Å; D11-R43 PolarHBondContact OD1-NE 2.78Å; D11-R43 IonicContact OD1-NH2 2.75Å; D11-R43 PolarHBondContact OD1-NH2 3.28Å; D11-R43 IonicContact OD2-NH2 3.44Å; D11-R43 PolarHBondContact OD2-NH2 3.5Å
12I66.6Low57.9Low49 Ų4991.9 Ų91.925%0.25148%0.478SS..EExtended strand (participates in β ladder)trans-108125175.9-57.2-169.1000108.5I10 I14 C20 V22I10-I12 HydrophobicContact CG2-CG1 4.28Å; I10-I12 PolarHBondContact O-N 2.78Å; I12-I14 HydrophobicContact CG2-CG1 3.99Å; I12-C20 HydrophobicContact CB-CB 4.46Å; I12-C20 PolarHBondContact N-O 3.4Å; I12-V22 HydrophobicContact CD1-CB 3.92Å; I12-V22 HydrophobicContact CD1-CG2 3.23Å; I12-V22 HydrophobicContact CG1-CB 4.44Å; I12-V22 HydrophobicContact CG1-CG2 3.95Å
13K62.8Low60.2Low127 Ų12787.1 Ų87.155%0.55245%0.447SS*.EExtended strand (participates in β ladder)trans-88.9121.3167-158.4-177.5179.8-167.20109.4G15 D16 L18K13-G15 VanDerWaalsContact CE-O 3.24Å; K13-G15 WeakPolarHBondContact CE-O 3.4Å; K13-G15 WeakPolarHBondContact CG-O 3.47Å; K13-D16 WeakPolarHBondContact CE-O 3.27Å; K13-L18 HydrophobicContact CB-CD1 3.57Å; K13-L18 HydrophobicContact CG-CB 4.13Å; K13-L18 HydrophobicContact CG-CD1 3.82Å
14I62.9Low62.4Low26 Ų2679.8 Ų79.813%0.13341%0.414CS..EExtended strand (participates in β ladder)trans-108.4109.2172.8-55.6177000106.9I12 C20 P49 L53I12-I14 HydrophobicContact CG2-CG1 3.99Å; I14-C20 HydrophobicContact CD1-CB 4.37Å; I14-P49 HydrophobicContact CD1-CB 4.48Å; I14-L53 HydrophobicContact CD1-CB 4.09Å; I14-L53 HydrophobicContact CD1-CD1 3.89Å; I14-L53 HydrophobicContact CD1-CD2 4.48Å; I14-L53 HydrophobicContact CD1-CG 4.39Å
15G62.5Low64.2Low60 Ų6074.8 Ų74.862%0.61940%0.397SS*.THydrogen-bonded Turntrans63.2-140.9-173.500000113K13K13-G15 VanDerWaalsContact CE-O 3.24Å; K13-G15 WeakPolarHBondContact CE-O 3.4Å; K13-G15 WeakPolarHBondContact CG-O 3.47Å
16D66.2Low66Low154 Ų15469.8 Ų69.882%0.82438%0.378SS*.THydrogen-bonded Turntrans-82.4-16178.1-71.6-34.6000113.7K13K13-D16 WeakPolarHBondContact CE-O 3.27Å
17K58.1Low67.3Low132 Ų13265.1 Ų65.157%0.57436%0.355SS*.EExtended strand (participates in β ladder)trans-98.1104-178.3-64-177.6177.1-176.80109.3D46K17-D46 IonicContact NZ-OD2 3.84Å
18L53Low68.4Low78 Ų7869.1 Ų69.141%0.40836%0.362SS..EExtended strand (participates in β ladder)trans-69.8138.7163-168.286.9000107.4K13K13-L18 HydrophobicContact CB-CD1 3.57Å; K13-L18 HydrophobicContact CG-CB 4.13Å; K13-L18 HydrophobicContact CG-CD1 3.82Å
19D63.1Low68.9Low46 Ų4674.4 Ų74.425%0.24638%0.375CS..EExtended strand (participates in β ladder)trans179.114.9140.2-89.8-17.9000114V42 R43 S44D19-V42 HydrophobicContact CB-CG1 4.35Å; D19-V42 CarbonylContact O-C 3.28Å; D19-V42 VanDerWaalsContact O-CA 3.28Å; D19-V42 WeakPolarHBondContact O-CA 3.06Å; D19-R43 HydrophobicContact CB-CB 3.9Å; D19-R43 PolarHBondContact O-N 3.1Å; D19-S44 WeakPolarHBondContact OD2-CB 3.49Å
20C70.3Confident69.6Low1 Ų176.4 Ų76.41%0.00738%0.379CS..EExtended strand (participates in β ladder)trans-86.8138.1171.6-67.70000111I12 I14 I40 G41I12-C20 HydrophobicContact CB-CB 4.46Å; I12-C20 PolarHBondContact N-O 3.4Å; I14-C20 HydrophobicContact CD1-CB 4.37Å; C20-I40 HydrophobicContact CB-CG2 4.41Å; C20-G41 CarbonylContact C-O 3.45Å; C20-G41 WeakPolarHBondContact CA-O 3.44Å
21F73.8Confident70.1Confident62 Ų6281.2 Ų81.227%0.27240%0.4SS..EExtended strand (participates in β ladder)trans-115.5145162.562.5-94.9000109.6L9 I10 I40 G41 R43L9-F21 HydrophobicContact CD2-CD2 3.84Å; L9-F21 HydrophobicContact CD2-CE2 4.35Å; I10-F21 WeakPolarHBondContact O-CA 3.39Å; F21-I40 WeakPolarHBondContact O-CA 3.33Å; F21-G41 PolarHBondContact N-O 2.79Å; F21-G41 PolarHBondContact O-N 2.94Å; F21-R43 HydrophobicContact CD1-CG 4.06Å; F21-R43 HydrophobicContact CE1-CG 4.49Å
22V75.1Confident70.3Confident6 Ų680.3 Ų80.34%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-119.1122177.6175.70000109.7I10 I12 I37 S39 I40I10-V22 PolarHBondContact N-O 3.06Å; I10-V22 VanDerWaalsContact N-O 3.16Å; I10-V22 PolarHBondContact O-N 3.21Å; I12-V22 HydrophobicContact CD1-CB 3.92Å; I12-V22 HydrophobicContact CD1-CG2 3.23Å; I12-V22 HydrophobicContact CG1-CB 4.44Å; I12-V22 HydrophobicContact CG1-CG2 3.95Å; V22-I37 HydrophobicContact CG1-CB 4.26Å; V22-I37 HydrophobicContact CG1-CD1 4.26Å; V22-I37 HydrophobicContact CG1-CG1 3.89Å; V22-I37 HydrophobicContact CG1-CG2 3.73Å; V22-S39 WeakPolarHBondContact CA-O 3.46Å; V22-I40 HydrophobicContact CG2-CB 4.42Å; V22-I40 HydrophobicContact CG2-CD1 4.33Å; V22-I40 HydrophobicContact CG2-CG1 4.01Å; V22-I40 HydrophobicContact CG2-CG2 4.06Å
23A74.8Confident70.7Confident11 Ų1181 Ų819%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-84.5128.4162.900000107.9L9 L38 S39L9-A23 HydrophobicContact CD2-CB 3.97Å; A23-L38 HydrophobicContact CB-CB 4.4Å; A23-L38 WeakPolarHBondContact O-CB 3.36Å; A23-L38 PolarHBondContact O-N 2.94Å; A23-S39 WeakPolarHBondContact CB-OG 3.13Å; A23-S39 PolarHBondContact N-O 3.03Å; A23-S39 PolarHBondContact O-N 3.49Å
24Y74.3Confident71.1Confident32 Ų3276.3 Ų76.313%0.12538%0.383CS..EExtended strand (participates in β ladder)trans-134.7163.517969-87.9000111.9P8 I10 A26 Y35 N36P8-Y24 HydrophobicContact CB-CE1 3.77Å; P8-Y24 WeakPolarHBondContact CB-OH 3.19Å; P8-Y24 HydrophobicContact CG-CE1 4.1Å; P8-Y24 HydrophobicContact CG-CE2 4.15Å; P8-Y24 WeakPolarHBondContact CG-OH 3.28Å; P8-Y24 VanDerWaalsContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CE1 3.43Å; I10-Y24 HydrophobicContact CB-CE1 4.39Å; I10-Y24 HydrophobicContact CD1-CD1 4.06Å; I10-Y24 HydrophobicContact CD1-CE1 3.23Å; I10-Y24 HydrophobicContact CG1-CD1 4.46Å; I10-Y24 HydrophobicContact CG1-CE1 3.64Å; Y24-A26 HydrophobicContact CD2-CB 4.35Å; Y24-A26 HydrophobicContact CE2-CB 4.02Å; Y24-Y35 AromaticContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CD1 3.5Å; Y24-Y35 VanDerWaalsContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CE1 4.37Å; Y24-Y35 HydrophobicContact CD2-CG 4.33Å; Y24-Y35 AromaticContact CE2-CD1 3.35Å; Y24-Y35 HydrophobicContact CE2-CD1 3.35Å; Y24-Y35 AromaticContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CG-CD1 4.34Å; Y24-N36 CarbonylContact C-O 3.47Å; Y24-N36 WeakPolarHBondContact CA-O 3.45Å; Y24-N36 WeakPolarHBondContact CB-O 3.43Å
25K76.1Confident71.5Confident117 Ų11776.6 Ų76.651%0.50938%0.383SS..EExtended strand (participates in β ladder)trans-117.1110.2169.5179.8-176.8175.7-175.50109.8N36 L38K25-N36 HydrophobicContact CB-CB 4.46Å; K25-N36 PolarHBondContact N-O 2.76Å; K25-N36 PolarHBondContact O-N 3.16Å; K25-N36 PolarHBondContact O-ND2 3.49Å; K25-L38 HydrophobicContact CB-CD1 4.29Å; K25-L38 HydrophobicContact CB-CD2 4.16Å; K25-L38 HydrophobicContact CB-CG 4.28Å
26A78Confident71.7Confident48 Ų4876.6 Ų76.640%0.39737%0.368SS..EExtended strand (participates in β ladder)trans-75.2128.3170.200000110.5Y24 M33 V34 Y35Y24-A26 HydrophobicContact CD2-CB 4.35Å; Y24-A26 HydrophobicContact CE2-CB 4.02Å; A26-M33 HydrophobicContact CB-CG 4.31Å; A26-M33 HydrophobicContact CB-SD 4.19Å; A26-V34 CarbonylContact C-O 3.33Å; A26-V34 WeakPolarHBondContact CA-O 3.48Å; A26-Y35 HydrophobicContact CB-CD1 4.08Å; A26-Y35 HydrophobicContact CB-CE1 4.14Å
27T75.1Confident72.1Confident54 Ų5471.6 Ų71.633%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-129127.7173-54.60000108.5V34T27-V34 PolarHBondContact N-O 3.29Å; T27-V34 PolarHBondContact O-N 2.75Å
28Y76.6Confident72.7Confident145 Ų14570.2 Ų70.257%0.56934%0.339SS*.EExtended strand (participates in β ladder)trans-88.2120.8174.8-163.3-110.4000109.7H31 T32 M33Y28-H31 VanDerWaalsContact CZ-CA 3.48Å; Y28-H31 VanDerWaalsContact OH-CA 3.32Å; Y28-H31 WeakPolarHBondContact OH-CA 3.4Å; Y28-H31 PolarHBondContact OH-O 3.42Å; Y28-T32 WeakPolarHBondContact CA-O 3.49Å; Y28-M33 HydrophobicContact CD2-CB 4.25Å; Y28-M33 HydrophobicContact CD2-CE 4.39Å
29W73.9Confident73.5Confident160 Ų16069.5 Ų69.561%0.60634%0.341SS*.EExtended strand (participates in β ladder)trans-134.9124.7-179.6-174.860.2000110.6H31 T32W29-H31 VanDerWaalsContact C-N 3.3Å; W29-H31 PolarHBondContact O-N 2.88Å; W29-T32 PolarHBondContact N-O 3.2Å; W29-T32 WeakPolarHBondContact O-CB 3.5Å; W29-T32 PolarHBondContact O-N 3.12Å
30K79.2Confident74.1Confident151 Ų15169.9 Ų69.966%0.65734%0.342SS*.THydrogen-bonded Turntrans46.647.2176.3-62.5-179.3176.9179.10114.1T32K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 PolarHBondContact O-N 3.34Å
31H81.5Confident74.1Confident162 Ų16270.6 Ų70.675%0.7535%0.35SS*.THydrogen-bonded Turntrans72.94-176.6-49.3-78.5000116.8Y28 W29Y28-H31 VanDerWaalsContact CZ-CA 3.48Å; Y28-H31 VanDerWaalsContact OH-CA 3.32Å; Y28-H31 WeakPolarHBondContact OH-CA 3.4Å; Y28-H31 PolarHBondContact OH-O 3.42Å; W29-H31 VanDerWaalsContact C-N 3.3Å; W29-H31 PolarHBondContact O-N 2.88Å
32T71.7Confident74.1Confident65 Ų6569.1 Ų69.140%0.39935%0.346SS..EExtended strand (participates in β ladder)trans-110.3134.2177.2-540000110.4Y28 W29 K30 V34 I67Y28-T32 WeakPolarHBondContact CA-O 3.49Å; W29-T32 PolarHBondContact N-O 3.2Å; W29-T32 WeakPolarHBondContact O-CB 3.5Å; W29-T32 PolarHBondContact O-N 3.12Å; K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 PolarHBondContact O-N 3.34Å; T32-V34 HydrophobicContact CG2-CG2 4.42Å; T32-I67 HydrophobicContact CG2-CG2 4.41Å
33M75.1Confident73.9Confident64 Ų6476 Ų7632%0.31537%0.371SS..EExtended strand (participates in β ladder)trans-83.6121.3167.8-162167.1-6300109.8A26 Y28 Y35A26-M33 HydrophobicContact CB-CG 4.31Å; A26-M33 HydrophobicContact CB-SD 4.19Å; Y28-M33 HydrophobicContact CD2-CB 4.25Å; Y28-M33 HydrophobicContact CD2-CE 4.39Å; M33-Y35 HydrophobicContact CB-CE2 3.92Å; M33-Y35 HydrophobicContact CG-CD2 4.32Å; M33-Y35 HydrophobicContact CG-CE1 4.38Å; M33-Y35 HydrophobicContact CG-CE2 3.68Å; M33-Y35 HydrophobicContact SD-CE1 3.99Å; M33-Y35 HydrophobicContact SD-CE2 4.05Å; M33-Y35 PolarHBondContact SD-OH 3.44Å
34V71.8Confident73.8Confident28 Ų2877 Ų7717%0.1738%0.378CS..EExtended strand (participates in β ladder)trans-108.8116.9-179.9-177.30000108.6A26 T27 T32A26-V34 CarbonylContact C-O 3.33Å; A26-V34 WeakPolarHBondContact CA-O 3.48Å; T27-V34 PolarHBondContact N-O 3.29Å; T27-V34 PolarHBondContact O-N 2.75Å; T32-V34 HydrophobicContact CG2-CG2 4.42Å
35Y71.9Confident73.7Confident33 Ų3383.7 Ų83.713%0.12942%0.416CS..EExtended strand (participates in β ladder)trans-98.1103.9177.5-54.8-105.2000109Y24 A26 M33 L66 M68Y24-Y35 AromaticContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CD1 3.5Å; Y24-Y35 VanDerWaalsContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CE1 4.37Å; Y24-Y35 HydrophobicContact CD2-CG 4.33Å; Y24-Y35 AromaticContact CE2-CD1 3.35Å; Y24-Y35 HydrophobicContact CE2-CD1 3.35Å; Y24-Y35 AromaticContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CG-CD1 4.34Å; A26-Y35 HydrophobicContact CB-CD1 4.08Å; A26-Y35 HydrophobicContact CB-CE1 4.14Å; M33-Y35 HydrophobicContact CB-CE2 3.92Å; M33-Y35 HydrophobicContact CG-CD2 4.32Å; M33-Y35 HydrophobicContact CG-CE1 4.38Å; M33-Y35 HydrophobicContact CG-CE2 3.68Å; M33-Y35 HydrophobicContact SD-CE1 3.99Å; M33-Y35 HydrophobicContact SD-CE2 4.05Å; M33-Y35 PolarHBondContact SD-OH 3.44Å; Y35-L66 VanDerWaalsContact CB-O 3.28Å; Y35-L66 WeakPolarHBondContact CB-O 3.37Å; Y35-L66 VanDerWaalsContact CD2-O 3.27Å; Y35-L66 WeakPolarHBondContact CD2-O 3.24Å; Y35-M68 HydrophobicContact CD2-CB 4.38Å; Y35-M68 HydrophobicContact CE2-CB 3.74Å; Y35-M68 HydrophobicContact CE2-CG 4.23Å
36N66.7Low73.7Confident59 Ų5981.1 Ų81.132%0.31641%0.407SS..EExtended strand (participates in β ladder)trans-84.5116.7175.7-62-87.2000108.5Y24 K25 L38Y24-N36 CarbonylContact C-O 3.47Å; Y24-N36 WeakPolarHBondContact CA-O 3.45Å; Y24-N36 WeakPolarHBondContact CB-O 3.43Å; K25-N36 HydrophobicContact CB-CB 4.46Å; K25-N36 PolarHBondContact N-O 2.76Å; K25-N36 PolarHBondContact O-N 3.16Å; K25-N36 PolarHBondContact O-ND2 3.49Å; N36-L38 PolarHBondContact O-N 2.82Å
37I74.2Confident73.6Confident50 Ų5083.7 Ų83.726%0.25641%0.414SS..EExtended strand (participates in β ladder)trans-67.7125174.4-61.9179.9000108.8V22 I40 I63V22-I37 HydrophobicContact CG1-CB 4.26Å; V22-I37 HydrophobicContact CG1-CD1 4.26Å; V22-I37 HydrophobicContact CG1-CG1 3.89Å; V22-I37 HydrophobicContact CG1-CG2 3.73Å; I37-I40 HydrophobicContact CG2-CD1 4.04Å; I37-I40 HydrophobicContact CG2-CG1 3.72Å; I37-I63 HydrophobicContact CD1-CG2 3.9Å; I37-I63 WeakPolarHBondContact CD1-O 3.45Å
38L71.4Confident73.6Confident102 Ų10283.4 Ų83.453%0.53441%0.414SS..EExtended strand (participates in β ladder)trans-91.6-45.7176.5-61.2177.1000110.9A23 K25 N36A23-L38 HydrophobicContact CB-CB 4.4Å; A23-L38 WeakPolarHBondContact O-CB 3.36Å; A23-L38 PolarHBondContact O-N 2.94Å; K25-L38 HydrophobicContact CB-CD1 4.29Å; K25-L38 HydrophobicContact CB-CD2 4.16Å; K25-L38 HydrophobicContact CB-CG 4.28Å; N36-L38 PolarHBondContact O-N 2.82Å
39S68.9Low73.4Confident64 Ų6476.9 Ų76.945%0.44839%0.39SS..EExtended strand (participates in β ladder)trans-157.6157.4178.7620000110.9V22 A23V22-S39 WeakPolarHBondContact CA-O 3.46Å; A23-S39 WeakPolarHBondContact CB-OG 3.13Å; A23-S39 PolarHBondContact N-O 3.03Å; A23-S39 PolarHBondContact O-N 3.49Å
40I75.5Confident73.3Confident53 Ų5371.8 Ų71.827%0.27237%0.374SS..EExtended strand (participates in β ladder)trans-126.3127.9176.6-48.6-170.7000106.5C20 F21 V22 I37 L50 L53C20-I40 HydrophobicContact CB-CG2 4.41Å; F21-I40 WeakPolarHBondContact O-CA 3.33Å; V22-I40 HydrophobicContact CG2-CB 4.42Å; V22-I40 HydrophobicContact CG2-CD1 4.33Å; V22-I40 HydrophobicContact CG2-CG1 4.01Å; V22-I40 HydrophobicContact CG2-CG2 4.06Å; I37-I40 HydrophobicContact CG2-CD1 4.04Å; I37-I40 HydrophobicContact CG2-CG1 3.72Å; I40-L50 HydrophobicContact CB-CD1 4.47Å; I40-L50 HydrophobicContact CG2-CD1 4.18Å; I40-L53 HydrophobicContact CD1-CD2 3.32Å; I40-L53 HydrophobicContact CG1-CD2 4.49Å; I40-L53 HydrophobicContact CG2-CD2 3.88Å
41G71.7Confident73Confident16 Ų1669.1 Ų69.117%0.16537%0.367CS..EExtended strand (participates in β ladder)trans-121156.6174.900000111C20 F21C20-G41 CarbonylContact C-O 3.45Å; C20-G41 WeakPolarHBondContact CA-O 3.44Å; F21-G41 PolarHBondContact N-O 2.79Å; F21-G41 PolarHBondContact O-N 2.94Å
42V73.7Confident72.7Confident31 Ų3166.2 Ų66.219%0.18835%0.354CS..EExtended strand (participates in β ladder)trans-114.7134175.3-171.20000108.3D19 S44 D46 L50D19-V42 HydrophobicContact CB-CG1 4.35Å; D19-V42 CarbonylContact O-C 3.28Å; D19-V42 VanDerWaalsContact O-CA 3.28Å; D19-V42 WeakPolarHBondContact O-CA 3.06Å; V42-S44 VanDerWaalsContact CG1-OG 3.25Å; V42-S44 WeakPolarHBondContact CG1-OG 3.41Å; V42-D46 WeakPolarHBondContact CG1-O 3.37Å; V42-L50 HydrophobicContact CG2-CB 3.87Å
43R71.1Confident72.7Confident150 Ų15064.2 Ų64.257%0.56634%0.341SS*.SBendtrans-80.9-30.8178-62.4179.2178.1-1167.8111.9D11 D19 F21D11-R43 IonicContact OD1-CZ 3.43Å; D11-R43 IonicContact OD1-NE 3.29Å; D11-R43 PolarHBondContact OD1-NE 2.78Å; D11-R43 IonicContact OD1-NH2 2.75Å; D11-R43 PolarHBondContact OD1-NH2 3.28Å; D11-R43 IonicContact OD2-NH2 3.44Å; D11-R43 PolarHBondContact OD2-NH2 3.5Å; D19-R43 HydrophobicContact CB-CB 3.9Å; D19-R43 PolarHBondContact O-N 3.1Å; F21-R43 HydrophobicContact CD1-CG 4.06Å; F21-R43 HydrophobicContact CE1-CG 4.49Å
44S72.1Confident72.4Confident33 Ų3364 Ų6423%0.23134%0.344CS..SBendtrans-81.1154.2174.857.60000112.6D19 V42 D46D19-S44 WeakPolarHBondContact OD2-CB 3.49Å; V42-S44 VanDerWaalsContact CG1-OG 3.25Å; V42-S44 WeakPolarHBondContact CG1-OG 3.41Å; S44-D46 PolarHBondContact O-N 3.26Å; S44-D46 PolarHBondContact OG-O 2.8Å
45N72Confident72.3Confident172 Ų17267 Ų6792%0.9236%0.36SS*.SBendtrans-69.9-13.4165.2-70.1-23.9000112.6L47N45-L47 PolarHBondContact O-N 2.75Å
46D76.4Confident72.1Confident63 Ų6369.5 Ų69.534%0.33738%0.375SS..  trans-77.1112.9172.5-175.96.8000109.5K17 V42 S44 S48 P49K17-D46 IonicContact NZ-OD2 3.84Å; V42-D46 WeakPolarHBondContact CG1-O 3.37Å; S44-D46 PolarHBondContact O-N 3.26Å; S44-D46 PolarHBondContact OG-O 2.8Å; D46-S48 VanDerWaalsContact C-N 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.2Å; D46-S48 PolarHBondContact OD1-N 2.64Å; D46-S48 PolarHBondContact OD1-OG 2.83Å; D46-P49 WeakPolarHBondContact O-CD 3.39Å
47L74.5Confident72Confident102 Ų10268 Ų6853%0.53437%0.369SS..  trans-85.81178.5-64.5178.3000113.3N45 P49 L50 N51N45-L47 PolarHBondContact O-N 2.75Å; L47-P49 VanDerWaalsContact C-N 3.31Å; L47-L50 PolarHBondContact O-N 3.01Å; L47-L50 VanDerWaalsContact O-N 3.07Å; L47-N51 PolarHBondContact O-N 2.89Å; L47-N51 VanDerWaalsContact O-N 3.14Å
48S77.1Confident71.4Confident49 Ų4971.8 Ų71.834%0.34339%0.39SS..Hα-helixtrans-51.8-41.9178.8-55.10000113.5D46 L50 N51 E52D46-S48 VanDerWaalsContact C-N 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.2Å; D46-S48 PolarHBondContact OD1-N 2.64Å; D46-S48 PolarHBondContact OD1-OG 2.83Å; S48-L50 VanDerWaalsContact C-N 3.31Å; S48-L50 PolarHBondContact O-N 3.29Å; S48-N51 PolarHBondContact O-N 2.82Å; S48-E52 PolarHBondContact O-N 3.43Å
49P71.9Confident70.8Confident8 Ų873.2 Ų73.25%0.05240%0.398CS..Hα-helixtrans-62-35.7178.1-24.235.7000113.6I14 D46 L47 L53I14-P49 HydrophobicContact CD1-CB 4.48Å; D46-P49 WeakPolarHBondContact O-CD 3.39Å; L47-P49 VanDerWaalsContact C-N 3.31Å; P49-L53 WeakPolarHBondContact O-CB 3.28Å; P49-L53 PolarHBondContact O-N 2.87Å
50L72.2Confident69.8Low52 Ų5275 Ų7527%0.27240%0.402SS..Hα-helixtrans-70.8-40.2177.7-172.464.6000111I40 V42 L47 S48 L53 C54I40-L50 HydrophobicContact CB-CD1 4.47Å; I40-L50 HydrophobicContact CG2-CD1 4.18Å; V42-L50 HydrophobicContact CG2-CB 3.87Å; L47-L50 PolarHBondContact O-N 3.01Å; L47-L50 VanDerWaalsContact O-N 3.07Å; S48-L50 VanDerWaalsContact C-N 3.31Å; S48-L50 PolarHBondContact O-N 3.29Å; L50-L53 PolarHBondContact O-N 3.16Å; L50-C54 WeakPolarHBondContact O-CB 3.25Å; L50-C54 PolarHBondContact O-N 3.42Å; L50-C54 PolarHBondContact O-SG 2.59Å
51N72.3Confident68.5Low96 Ų9682 Ų8251%0.51343%0.431SS..Hα-helixtrans-64.1-41.8176-73.3-21.8000111.7L47 S48 L53 C54 N55L47-N51 PolarHBondContact O-N 2.89Å; L47-N51 VanDerWaalsContact O-N 3.14Å; S48-N51 PolarHBondContact O-N 2.82Å; N51-L53 VanDerWaalsContact C-N 3.35Å; N51-C54 PolarHBondContact O-N 2.87Å; N51-N55 WeakPolarHBondContact O-CB 3.29Å; N51-N55 PolarHBondContact O-N 3.28Å; N51-N55 PolarHBondContact O-ND2 2.95Å
52E75.6Confident67.4Low101 Ų10188.6 Ų88.647%0.47246%0.459SS..Hα-helixtrans-61.1-44.2173.4-74.7178.6-152.800111.5S48 N55 L56S48-E52 PolarHBondContact O-N 3.43Å; E52-N55 PolarHBondContact O-N 2.88Å; E52-L56 WeakPolarHBondContact O-CB 3.44Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.3Å
53L71.5Confident66.4Low23 Ų2389.2 Ų89.212%0.1246%0.461CS..Hα-helixtrans-63.7-43.3177.9-166.271.6000112.3I14 I40 P49 L50 N51 L56 S57 I63I14-L53 HydrophobicContact CD1-CB 4.09Å; I14-L53 HydrophobicContact CD1-CD1 3.89Å; I14-L53 HydrophobicContact CD1-CD2 4.48Å; I14-L53 HydrophobicContact CD1-CG 4.39Å; I40-L53 HydrophobicContact CD1-CD2 3.32Å; I40-L53 HydrophobicContact CG1-CD2 4.49Å; I40-L53 HydrophobicContact CG2-CD2 3.88Å; P49-L53 WeakPolarHBondContact O-CB 3.28Å; P49-L53 PolarHBondContact O-N 2.87Å; L50-L53 PolarHBondContact O-N 3.16Å; N51-L53 VanDerWaalsContact C-N 3.35Å; L53-L56 PolarHBondContact O-N 2.93Å; L53-S57 PolarHBondContact O-N 3.37Å; L53-I63 HydrophobicContact CD1-CD1 3.53Å; L53-I63 HydrophobicContact CG-CD1 3.84Å; L53-I63 WeakPolarHBondContact O-CD1 3.37Å
54C68.2Low65.1Low58 Ų5889 Ų8939%0.39247%0.466SS..Hα-helixtrans-61.9-43174.1-73.70000111.6L50 N51 S57 N58L50-C54 WeakPolarHBondContact O-CB 3.25Å; L50-C54 PolarHBondContact O-N 3.42Å; L50-C54 PolarHBondContact O-SG 2.59Å; N51-C54 PolarHBondContact O-N 2.87Å; C54-S57 PolarHBondContact O-N 3.2Å; C54-N58 WeakPolarHBondContact O-CB 3.4Å; C54-N58 VanDerWaalsContact O-CG 3.27Å; C54-N58 PolarHBondContact O-N 2.99Å; C54-N58 PolarHBondContact O-ND2 3.36Å
55N69Low63.8Low93 Ų9391.2 Ų91.250%0.49748%0.476SS..Hα-helixtrans-62.5-42.7175.1-74.4-21.7000111.5N51 E52 S57 N58 N59N51-N55 WeakPolarHBondContact O-CB 3.29Å; N51-N55 PolarHBondContact O-N 3.28Å; N51-N55 PolarHBondContact O-ND2 2.95Å; E52-N55 PolarHBondContact O-N 2.88Å; N55-S57 VanDerWaalsContact C-N 3.35Å; N55-S57 PolarHBondContact O-N 3.32Å; N55-N58 PolarHBondContact O-N 2.97Å; N55-N59 VanDerWaalsContact O-CB 3.25Å; N55-N59 WeakPolarHBondContact O-CB 3.25Å; N55-N59 PolarHBondContact O-N 3.07Å; N55-N59 PolarHBondContact O-ND2 3.33Å; N55-N59 VanDerWaalsContact O-ND2 3.16Å
56L68.7Low62.5Low84 Ų8486.8 Ų86.844%0.4445%0.452SS..Hα-helixtrans-61.7-42174.3-73.4170.7000111.5E52 L53 N60 I63E52-L56 WeakPolarHBondContact O-CB 3.44Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.3Å; L53-L56 PolarHBondContact O-N 2.93Å; L56-N60 WeakPolarHBondContact O-CA 3.48Å; L56-N60 WeakPolarHBondContact O-CB 3.36Å; L56-N60 PolarHBondContact O-N 3.14Å; L56-I63 HydrophobicContact CB-CD1 4.12Å
57S63.8Low60.8Low29 Ų2989.2 Ų89.220%0.20346%0.463CS..Hα-helixtrans-67.8-35.6176.6-170.50000113.8L53 C54 N55 N60L53-S57 PolarHBondContact O-N 3.37Å; C54-S57 PolarHBondContact O-N 3.2Å; N55-S57 VanDerWaalsContact C-N 3.35Å; N55-S57 PolarHBondContact O-N 3.32Å; S57-N60 CarbonylContact C-O 3.53Å; S57-N60 VanDerWaalsContact C-O 3.28Å; S57-N60 WeakPolarHBondContact CA-O 3.19Å; S57-N60 CarbonylContact O-C 3.45Å
58N62.9Low59Low128 Ų12889 Ų8968%0.68446%0.46SS*.Hα-helixtrans-74.5-37.6178.9-74.5-20.3000111.1C54 N55C54-N58 WeakPolarHBondContact O-CB 3.4Å; C54-N58 VanDerWaalsContact O-CG 3.27Å; C54-N58 PolarHBondContact O-N 2.99Å; C54-N58 PolarHBondContact O-ND2 3.36Å; N55-N58 PolarHBondContact O-N 2.97Å
59N57.9Low56.7Low133 Ų13391.8 Ų91.871%0.71148%0.48SS*.Hα-helixtrans-80.4-34.9179.6-68.1-25.6000112.4N55N55-N59 VanDerWaalsContact O-CB 3.25Å; N55-N59 WeakPolarHBondContact O-CB 3.25Å; N55-N59 PolarHBondContact O-N 3.07Å; N55-N59 PolarHBondContact O-ND2 3.33Å; N55-N59 VanDerWaalsContact O-ND2 3.16Å
60N48.7Very low54.7Low101 Ų101101.8 Ų101.854%0.5453%0.533SS..SBendtrans-119.6112.8172.9-66-47.2000107.6L56 S57 M62L56-N60 WeakPolarHBondContact O-CA 3.48Å; L56-N60 WeakPolarHBondContact O-CB 3.36Å; L56-N60 PolarHBondContact O-N 3.14Å; S57-N60 CarbonylContact C-O 3.53Å; S57-N60 VanDerWaalsContact C-O 3.28Å; S57-N60 WeakPolarHBondContact CA-O 3.19Å; S57-N60 CarbonylContact O-C 3.45Å; N60-M62 HydrophobicContact CB-CB 4.38Å; N60-M62 PolarHBondContact O-N 2.9Å
61K48.1Very low53.9Low201 Ų201104.3 Ų104.387%0.87455%0.547SS*.THydrogen-bonded Turntrans-59.627.4179.3-64.5179.8176.6177.10115.3
62M47.6Very low52.9Low154 Ų154104.7 Ų104.776%0.75955%0.548SS*.THydrogen-bonded Turntrans-117.91.5-156.7-156.2176-143.400115N60N60-M62 HydrophobicContact CB-CB 4.38Å; N60-M62 PolarHBondContact O-N 2.9Å
63I52Low51.6Low43 Ų43104.9 Ų104.922%0.22155%0.552CS.*THydrogen-bonded Turntrans-85.2-13.5176.5-55.7-166.8000112.8I37 L53 L56 N65I37-I63 HydrophobicContact CD1-CG2 3.9Å; I37-I63 WeakPolarHBondContact CD1-O 3.45Å; L53-I63 HydrophobicContact CD1-CD1 3.53Å; L53-I63 HydrophobicContact CG-CD1 3.84Å; L53-I63 WeakPolarHBondContact O-CD1 3.37Å; L56-I63 HydrophobicContact CB-CD1 4.12Å; I63-N65 PolarHBondContact O-N 3.32Å; I63-N65 VanDerWaalsContact O-N 3.12Å
64H45.4Very low50.5Low145 Ų145109.8 Ų109.867%0.67158%0.578SS**THydrogen-bonded Turntrans-61.7-24.3177.5-79.3-76.2000113.6
65N43.8Very low49.4Very low81 Ų81113 Ų11343%0.43359%0.59SS.*EExtended strand (participates in β ladder)trans-136.6100.5178.7-63-49.7000110.1I63 I67I63-N65 PolarHBondContact O-N 3.32Å; I63-N65 VanDerWaalsContact O-N 3.12Å; N65-I67 HydrophobicContact CB-CG1 4.24Å; N65-I67 PolarHBondContact O-N 3.44Å; N65-I67 VanDerWaalsContact O-N 3.1Å
66L45.6Very low48Very low79 Ų79114.3 Ų114.341%0.41460%0.596SS.*EExtended strand (participates in β ladder)trans-71.8101.5162.3-173.671.5000106.8Y35 M68Y35-L66 VanDerWaalsContact CB-O 3.28Å; Y35-L66 WeakPolarHBondContact CB-O 3.37Å; Y35-L66 VanDerWaalsContact CD2-O 3.27Å; Y35-L66 WeakPolarHBondContact CD2-O 3.24Å; L66-M68 HydrophobicContact CD2-CG 4.22Å; L66-M68 HydrophobicContact CD2-SD 4.31Å; L66-M68 HydrophobicContact CG-CG 4.15Å
67I40.9Very low46.6Very low114 Ų114116.5 Ų116.559%0.58561%0.607SS**  trans-91.2105.2171.7-57.3174.7000106.1T32 N65T32-I67 HydrophobicContact CG2-CG2 4.41Å; N65-I67 HydrophobicContact CB-CG1 4.24Å; N65-I67 PolarHBondContact O-N 3.44Å; N65-I67 VanDerWaalsContact O-N 3.1Å
68M36.8Very low45.2Very low96 Ų96123.2 Ų123.247%0.47364%0.638SS.*  trans-88.9119.9164.7-60.3-173.667.100107.4Y35 L66Y35-M68 HydrophobicContact CD2-CB 4.38Å; Y35-M68 HydrophobicContact CE2-CB 3.74Å; Y35-M68 HydrophobicContact CE2-CG 4.23Å; L66-M68 HydrophobicContact CD2-CG 4.22Å; L66-M68 HydrophobicContact CD2-SD 4.31Å; L66-M68 HydrophobicContact CG-CG 4.15Å
69S27.2Very low43.8Very low109 Ų109122.8 Ų122.876%0.76263%0.634SS**  trans-77.8148.4165.661.20000109.4
70D31.4Very low42.5Very low218 Ų218121.9 Ų121.9100%1.16663%0.627SS**  trans-52.60170.2-66-24.6000112.3

Retrieved 70 of 70 residues in 34.4 ms (Link to these results)