A0A087WNY6_MOUSE Loading...

TAR DNA binding protein

AlphaFold DB , UniProt , Accession A0A087WNY6, Species MOUSE (Mus musculus, Mouse), Gene Tardbp, Length 88 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
1Q76.9Confident89.3Confident134 Ų13485 Ų8563%0.62643%0.426SS*.  0-64.20-163.6171.93.400112F3 F4 C5 V10 V13Q1-F3 VanDerWaalsContact C-N 3.28Å; Q1-F3 PolarHBondContact O-N 2.83Å; Q1-F4 PolarHBondContact O-N 3.3Å; Q1-C5 PolarHBondContact O-N 2.86Å; Q1-V10 HydrophobicContact CG-CB 4.43Å; Q1-V10 HydrophobicContact CG-CG1 4.16Å; Q1-V13 HydrophobicContact CB-CG2 4.06Å; Q1-V13 HydrophobicContact CG-CG2 3.99Å
2Q85.9Confident89.2Confident175 Ų17585.3 Ų85.382%0.81843%0.43SS*.THydrogen-bonded Turntrans-45.5-44.7-175.9-12789.82000115.3F4 C5Q2-F4 VanDerWaalsContact C-N 3.29Å; Q2-F4 PolarHBondContact O-N 3.06Å; Q2-C5 WeakPolarHBondContact O-CB 3.36Å; Q2-C5 PolarHBondContact O-N 3.24Å
3F88.8Confident89.3Confident62 Ų6282 Ų8227%0.27242%0.417SS..THydrogen-bonded Turntrans-60.7-36.7178.9179.3-91.7000112.8Q1 Q6 Y7 L41 I43Q1-F3 VanDerWaalsContact C-N 3.28Å; Q1-F3 PolarHBondContact O-N 2.83Å; F3-Q6 VanDerWaalsContact CE2-NE2 3.25Å; F3-Q6 VanDerWaalsContact O-CD 3.31Å; F3-Q6 WeakPolarHBondContact O-CG 3.35Å; F3-Q6 PolarHBondContact O-NE2 2.89Å; F3-Y7 HydrophobicContact CD1-CE2 4.19Å; F3-Y7 AromaticContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CZ-CE2 4.13Å; F3-L41 HydrophobicContact CE1-CD1 3.88Å; F3-L41 HydrophobicContact CZ-CD1 4.36Å; F3-I43 HydrophobicContact CB-CG2 4.22Å; F3-I43 HydrophobicContact CD1-CD1 3.39Å; F3-I43 HydrophobicContact CD1-CG1 3.66Å; F3-I43 HydrophobicContact CD1-CG2 4.42Å; F3-I43 HydrophobicContact CD2-CG1 4.23Å; F3-I43 HydrophobicContact CD2-CG2 4.08Å; F3-I43 HydrophobicContact CE1-CD1 3.59Å; F3-I43 HydrophobicContact CE1-CG1 3.51Å; F3-I43 HydrophobicContact CE2-CG1 4.1Å; F3-I43 HydrophobicContact CG-CD1 4.01Å; F3-I43 HydrophobicContact CG-CG1 4.03Å; F3-I43 HydrophobicContact CG-CG2 3.98Å; F3-I43 HydrophobicContact CZ-CD1 4.34Å; F3-I43 HydrophobicContact CZ-CG1 3.75Å
4F89.8Confident89.4Confident15 Ų1583.6 Ų83.67%0.06642%0.42CS..G310 helixtrans-79.9-22.5-177.8-70.5-70.1000112.8Q1 Q2 Q6 Y7 V10 V25 F27 I43 I50 V86Q1-F4 PolarHBondContact O-N 3.3Å; Q2-F4 VanDerWaalsContact C-N 3.29Å; Q2-F4 PolarHBondContact O-N 3.06Å; F4-Q6 PolarHBondContact O-N 3.1Å; F4-Q6 VanDerWaalsContact O-N 3.1Å; F4-Y7 HydrophobicContact CD1-CD2 4.42Å; F4-Y7 PolarHBondContact O-N 3.48Å; F4-V10 HydrophobicContact CB-CG2 3.66Å; F4-V25 HydrophobicContact CB-CG1 4.26Å; F4-V25 HydrophobicContact CD2-CG1 4.36Å; F4-V25 HydrophobicContact CD2-CG2 3.95Å; F4-V25 HydrophobicContact CE2-CG2 3.95Å; F4-V25 HydrophobicContact CG-CG1 4.21Å; F4-F27 HydrophobicContact CB-CE1 4.22Å; F4-F27 HydrophobicContact CB-CZ 3.89Å; F4-F27 AromaticContact CD1-CZ 4Å; F4-F27 HydrophobicContact CD1-CZ 4Å; F4-F27 HydrophobicContact CG-CZ 4.29Å; F4-I43 HydrophobicContact CE1-CD1 4.46Å; F4-I43 HydrophobicContact CE2-CD1 3.98Å; F4-I43 HydrophobicContact CZ-CD1 3.69Å; F4-I50 HydrophobicContact CE1-CD1 4.06Å; F4-V86 HydrophobicContact CE1-CG2 4.38Å; F4-V86 HydrophobicContact CE2-CG2 4.3Å; F4-V86 HydrophobicContact CZ-CG1 4.04Å; F4-V86 HydrophobicContact CZ-CG2 3.75Å
5C90.3Very high89.5Confident66 Ų6684.1 Ų84.145%0.44642%0.423SS..G310 helixtrans-61.7-17.3177-62.60000113.8Q1 Q2 Y7 G8Q1-C5 PolarHBondContact O-N 2.86Å; Q2-C5 WeakPolarHBondContact O-CB 3.36Å; Q2-C5 PolarHBondContact O-N 3.24Å; C5-Y7 VanDerWaalsContact C-N 3.32Å; C5-G8 WeakPolarHBondContact CA-O 3.37Å
6Q91.1Very high89.4Confident124 Ų12479.4 Ų79.458%0.57940%0.4SS*.G310 helixtrans-74.2-22.5175.778.4-167.5-44.700113.3F3 F4F3-Q6 VanDerWaalsContact CE2-NE2 3.25Å; F3-Q6 VanDerWaalsContact O-CD 3.31Å; F3-Q6 WeakPolarHBondContact O-CG 3.35Å; F3-Q6 PolarHBondContact O-NE2 2.89Å; F4-Q6 PolarHBondContact O-N 3.1Å; F4-Q6 VanDerWaalsContact O-N 3.1Å
7Y90.8Very high89.3Confident87 Ų8786.5 Ų86.534%0.34143%0.428SS..THydrogen-bonded Turntrans-92-24.3179.9-59.5-77.9000112.3F3 F4 C5 V32 L36 L41F3-Y7 HydrophobicContact CD1-CE2 4.19Å; F3-Y7 AromaticContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CE1-CE2 3.65Å; F3-Y7 HydrophobicContact CZ-CE2 4.13Å; F4-Y7 HydrophobicContact CD1-CD2 4.42Å; F4-Y7 PolarHBondContact O-N 3.48Å; C5-Y7 VanDerWaalsContact C-N 3.32Å; Y7-V32 VanDerWaalsContact O-CG1 3.28Å; Y7-V32 WeakPolarHBondContact O-CG1 3.37Å; Y7-V32 WeakPolarHBondContact O-CG2 3.36Å; Y7-L36 HydrophobicContact CD1-CD2 3.77Å; Y7-L36 HydrophobicContact CD2-CD1 4.17Å; Y7-L36 HydrophobicContact CD2-CD2 4.3Å; Y7-L36 HydrophobicContact CE1-CD2 3.9Å; Y7-L36 HydrophobicContact CE2-CD2 4.43Å; Y7-L36 HydrophobicContact CG-CD1 3.99Å; Y7-L36 HydrophobicContact CG-CD2 3.97Å; Y7-L36 HydrophobicContact CG-CG 4.48Å; Y7-L41 HydrophobicContact CE2-CD1 4.25Å
8G92Very high89.4Confident22 Ų2287.1 Ų87.123%0.22744%0.439CS..SBendtrans168.6178.7179.500000111.9C5 V10C5-G8 WeakPolarHBondContact CA-O 3.37Å; G8-V10 PolarHBondContact O-N 3.47Å
9E93.6Very high89.5Confident146 Ų14689.6 Ų89.668%0.68245%0.447SS*.  trans-68.1121.3177.8-175.1177.7177.900110.8F27 A28E9-F27 CarbonylContact O-C 3.57Å; E9-F27 WeakPolarHBondContact O-CA 3.48Å; E9-A28 HydrophobicContact CB-CB 3.92Å; E9-A28 HydrophobicContact CG-CB 4.2Å; E9-A28 PolarHBondContact O-N 3.26Å
10V92.2Very high89.5Confident14 Ų1493.5 Ų93.59%0.08546%0.456CS..EExtended strand (participates in β ladder)trans-94113.6176.31790000108.5Q1 F4 G8 V13 V25 F27Q1-V10 HydrophobicContact CG-CB 4.43Å; Q1-V10 HydrophobicContact CG-CG1 4.16Å; F4-V10 HydrophobicContact CB-CG2 3.66Å; G8-V10 PolarHBondContact O-N 3.47Å; V10-V13 HydrophobicContact CG1-CG2 3.6Å; V10-V25 HydrophobicContact CG1-CG1 3.83Å; V10-V25 HydrophobicContact CG2-CG1 4.3Å; V10-F27 HydrophobicContact CG2-CD1 4.05Å; V10-F27 HydrophobicContact CG2-CE1 3.69Å; V10-F27 HydrophobicContact CG2-CZ 4.33Å
11V91.2Very high89.6Confident90 Ų9091 Ų9155%0.54545%0.45SS..EExtended strand (participates in β ladder)trans-81.6-39.7-178.1177.50000111.2T26 A28V11-T26 PolarHBondContact N-O 3.4Å; V11-A28 HydrophobicContact CG2-CB 3.67Å
12D88.4Confident90.4Very high88 Ų8886.1 Ų86.147%0.47143%0.428SS..EExtended strand (participates in β ladder)trans-150.7151.1-177-168.923.6000112.4T26D12-T26 PolarHBondContact N-O 3.47Å; D12-T26 PolarHBondContact O-N 3.12Å
13V90.6Very high90.7Very high43 Ų4378.6 Ų78.626%0.26140%0.395SS..EExtended strand (participates in β ladder)trans-137.1114.7173.6-177.70000109.4Q1 V10 I15 F24 V25Q1-V13 HydrophobicContact CB-CG2 4.06Å; Q1-V13 HydrophobicContact CG-CG2 3.99Å; V10-V13 HydrophobicContact CG1-CG2 3.6Å; V13-I15 HydrophobicContact CG1-CG1 4.49Å; V13-F24 CarbonylContact C-O 3.56Å; V13-F24 WeakPolarHBondContact CA-O 3.19Å; V13-V25 HydrophobicContact CG1-CG2 4.44Å; V13-V25 HydrophobicContact CG2-CG1 4.47Å; V13-V25 HydrophobicContact CG2-CG2 4.48Å
14F90.4Very high90.8Very high104 Ų10477.2 Ų77.246%0.45639%0.389SS..EExtended strand (participates in β ladder)trans-112.1119.7-179.5176.2-113.5000111.4P16 A23 F24F14-P16 HydrophobicContact CD1-CG 4.3Å; F14-P16 HydrophobicContact CE1-CB 4.33Å; F14-P16 HydrophobicContact CE1-CG 3.8Å; F14-P16 HydrophobicContact CZ-CG 4.43Å; F14-A23 CarbonylContact O-C 3.54Å; F14-A23 WeakPolarHBondContact O-CA 3.36Å; F14-F24 HydrophobicContact CB-CB 4.34Å; F14-F24 AromaticContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CE2 4.13Å; F14-F24 HydrophobicContact CE1-CD2 4.26Å; F14-F24 HydrophobicContact CE1-CE2 4.36Å; F14-F24 PolarHBondContact N-O 3.34Å; F14-F24 PolarHBondContact O-N 3.49Å
15I90.7Very high90.9Very high92 Ų9276.6 Ų76.647%0.47239%0.387SS..  trans-109.3110.4175-54.7175.6000108.1V13 F19 A23V13-I15 HydrophobicContact CG1-CG1 4.49Å; I15-F19 HydrophobicContact CG2-CD2 3.84Å; I15-F19 HydrophobicContact CG2-CE2 4.18Å; I15-A23 HydrophobicContact CG1-CB 3.93Å
16P88Confident90.9Very high8 Ų874.9 Ų74.95%0.05237%0.374CS..  trans-57.8141.9178.7-24.533.5000112.7F14 P18 F19 F22 F24F14-P16 HydrophobicContact CD1-CG 4.3Å; F14-P16 HydrophobicContact CE1-CB 4.33Å; F14-P16 HydrophobicContact CE1-CG 3.8Å; F14-P16 HydrophobicContact CZ-CG 4.43Å; P16-P18 CarbonylContact C-O 3.54Å; P16-P18 CarbonylContact O-C 3.54Å; P16-P18 VanDerWaalsContact O-O 3.11Å; P16-F19 WeakPolarHBondContact O-CA 3.32Å; P16-F22 WeakPolarHBondContact CD-O 3.41Å; P16-F22 HydrophobicContact CG-CD2 4.1Å; P16-F22 HydrophobicContact CG-CE2 3.56Å; P16-F22 HydrophobicContact CG-CZ 4.05Å; P16-F24 HydrophobicContact CG-CD2 4.3Å; P16-F24 HydrophobicContact CG-CE2 3.95Å
17K87.8Confident91Very high201 Ų20169.2 Ų69.287%0.87435%0.347SS*.SBendtrans-109.9138.3168.6-65.3-175.1-179.5179.30109.7
18P91.8Very high90.9Very high97 Ų9767.7 Ų67.763%0.6335%0.353SS*.SBendcis-60.1158-11.729.9-36000110.8P16 R20P16-P18 CarbonylContact C-O 3.54Å; P16-P18 CarbonylContact O-C 3.54Å; P16-P18 VanDerWaalsContact O-O 3.11Å; P18-R20 WeakPolarHBondContact O-CG 3.28Å; P18-R20 PolarHBondContact O-N 3.33Å
19F90.9Very high90.8Very high134 Ų13470 Ų7059%0.58836%0.36SS*.  trans-62.7128.8-176.5179.4-114.9000110.9I15 P16 A21 L88I15-F19 HydrophobicContact CG2-CD2 3.84Å; I15-F19 HydrophobicContact CG2-CE2 4.18Å; P16-F19 WeakPolarHBondContact O-CA 3.32Å; F19-A21 HydrophobicContact CE1-CB 4.44Å; F19-L88 HydrophobicContact CE2-CD1 3.99Å; F19-L88 HydrophobicContact CZ-CD1 3.51Å
20R89Confident90.5Very high167 Ų16765.2 Ų65.263%0.6334%0.339SS*.  trans-119.125.4-175.7-65.2-173.4-177-160.2-2.1113.5P18 F22P18-R20 WeakPolarHBondContact O-CG 3.28Å; P18-R20 PolarHBondContact O-N 3.33Å; R20-F22 HydrophobicContact CB-CD1 3.73Å; R20-F22 HydrophobicContact CB-CE1 3.32Å; R20-F22 HydrophobicContact CB-CZ 4.14Å; R20-F22 HydrophobicContact CG-CE1 4.27Å; R20-F22 WeakPolarHBondContact O-CD1 3.47Å; R20-F22 PolarHBondContact O-N 3.24Å
21A92.3Very high90.4Very high41 Ų4171 Ų7134%0.33936%0.363SS..SBendtrans57.928.2-176.400000114.1F19 L88F19-A21 HydrophobicContact CE1-CB 4.44Å; A21-L88 PolarHBondContact O-N 3.48Å
22F92.4Very high90.4Very high33 Ų3368 Ų6815%0.14535%0.345CS..EExtended strand (participates in β ladder)trans-147.4159.7168.365.7-92.1000111.7P16 R20 F24 K85 V86 V87P16-F22 WeakPolarHBondContact CD-O 3.41Å; P16-F22 HydrophobicContact CG-CD2 4.1Å; P16-F22 HydrophobicContact CG-CE2 3.56Å; P16-F22 HydrophobicContact CG-CZ 4.05Å; R20-F22 HydrophobicContact CB-CD1 3.73Å; R20-F22 HydrophobicContact CB-CE1 3.32Å; R20-F22 HydrophobicContact CB-CZ 4.14Å; R20-F22 HydrophobicContact CG-CE1 4.27Å; R20-F22 WeakPolarHBondContact O-CD1 3.47Å; R20-F22 PolarHBondContact O-N 3.24Å; F22-F24 HydrophobicContact CD2-CD2 4.44Å; F22-F24 AromaticContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CZ 4.08Å; F22-F24 HydrophobicContact CE2-CD2 4.39Å; F22-F24 AromaticContact CE2-CE2 3.48Å; F22-F24 HydrophobicContact CE2-CE2 3.48Å; F22-F24 VanDerWaalsContact CE2-CE2 3.48Å; F22-F24 AromaticContact CE2-CZ 3.65Å; F22-F24 HydrophobicContact CE2-CZ 3.65Å; F22-K85 HydrophobicContact CB-CG 4.41Å; F22-K85 HydrophobicContact CD2-CG 4.21Å; F22-V86 CarbonylContact C-O 3.6Å; F22-V86 WeakPolarHBondContact CA-O 3.14Å; F22-V86 VanDerWaalsContact CB-O 3.26Å; F22-V86 WeakPolarHBondContact CB-O 3.41Å; F22-V87 HydrophobicContact CB-CG2 4.11Å
23A92.2Very high90.5Very high16 Ų1663.8 Ų63.813%0.13232%0.322CS..EExtended strand (participates in β ladder)trans-135.2162.2173.800000109.6F14 I15 K85 V86F14-A23 CarbonylContact O-C 3.54Å; F14-A23 WeakPolarHBondContact O-CA 3.36Å; I15-A23 HydrophobicContact CG1-CB 3.93Å; A23-K85 WeakPolarHBondContact O-CA 3.4Å; A23-V86 PolarHBondContact N-O 2.91Å; A23-V86 PolarHBondContact O-N 2.82Å
24F91.9Very high90.4Very high33 Ų3365.6 Ų65.615%0.14533%0.328CS..EExtended strand (participates in β ladder)trans-111.3137.1169-59.1-88000109.4V13 F14 P16 F22 A53 L84 K85V13-F24 CarbonylContact C-O 3.56Å; V13-F24 WeakPolarHBondContact CA-O 3.19Å; F14-F24 HydrophobicContact CB-CB 4.34Å; F14-F24 AromaticContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CD2 3.6Å; F14-F24 HydrophobicContact CD1-CE2 4.13Å; F14-F24 HydrophobicContact CE1-CD2 4.26Å; F14-F24 HydrophobicContact CE1-CE2 4.36Å; F14-F24 PolarHBondContact N-O 3.34Å; F14-F24 PolarHBondContact O-N 3.49Å; P16-F24 HydrophobicContact CG-CD2 4.3Å; P16-F24 HydrophobicContact CG-CE2 3.95Å; F22-F24 HydrophobicContact CD2-CD2 4.44Å; F22-F24 AromaticContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CE2 3.9Å; F22-F24 HydrophobicContact CD2-CZ 4.08Å; F22-F24 HydrophobicContact CE2-CD2 4.39Å; F22-F24 AromaticContact CE2-CE2 3.48Å; F22-F24 HydrophobicContact CE2-CE2 3.48Å; F22-F24 VanDerWaalsContact CE2-CE2 3.48Å; F22-F24 AromaticContact CE2-CZ 3.65Å; F22-F24 HydrophobicContact CE2-CZ 3.65Å; F24-A53 HydrophobicContact CD1-CB 3.73Å; F24-A53 HydrophobicContact CE1-CB 4.04Å; F24-L84 CarbonylContact C-O 3.47Å; F24-L84 WeakPolarHBondContact CA-O 3.09Å; F24-K85 HydrophobicContact CD1-CB 4.01Å; F24-K85 HydrophobicContact CD1-CG 4.37Å; F24-K85 HydrophobicContact CE1-CB 3.93Å; F24-K85 HydrophobicContact CE1-CD 4.38Å; F24-K85 HydrophobicContact CE1-CG 4.02Å
25V92.3Very high90.5Very high3 Ų365.1 Ų65.12%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-124.8127.5177.5-179.10000107.5F4 V10 V13 F27 S83 L84 V86F4-V25 HydrophobicContact CB-CG1 4.26Å; F4-V25 HydrophobicContact CD2-CG1 4.36Å; F4-V25 HydrophobicContact CD2-CG2 3.95Å; F4-V25 HydrophobicContact CE2-CG2 3.95Å; F4-V25 HydrophobicContact CG-CG1 4.21Å; V10-V25 HydrophobicContact CG1-CG1 3.83Å; V10-V25 HydrophobicContact CG2-CG1 4.3Å; V13-V25 HydrophobicContact CG1-CG2 4.44Å; V13-V25 HydrophobicContact CG2-CG1 4.47Å; V13-V25 HydrophobicContact CG2-CG2 4.48Å; V25-F27 HydrophobicContact CG1-CD2 4.31Å; V25-F27 HydrophobicContact CG1-CE2 3.8Å; V25-F27 HydrophobicContact CG1-CZ 4.06Å; V25-S83 CarbonylContact O-C 3.58Å; V25-S83 WeakPolarHBondContact O-CA 3.12Å; V25-L84 PolarHBondContact N-O 3.22Å; V25-L84 PolarHBondContact O-N 2.97Å; V25-V86 HydrophobicContact CG2-CG2 3.9Å
26T90.3Very high90.5Very high30 Ų3061.2 Ų61.218%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-111.1123.2178.2-56.90000109.2V11 D12 S83V11-T26 PolarHBondContact N-O 3.4Å; D12-T26 PolarHBondContact N-O 3.47Å; D12-T26 PolarHBondContact O-N 3.12Å; T26-S83 PolarHBondContact OG1-OG 3.34Å
27F91.7Very high90.6Very high4 Ų462.6 Ų62.62%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-93.5157.8175.2-70.7-86.3000111.7F4 E9 V10 V25 V32 A33 L36 T82 L84F4-F27 HydrophobicContact CB-CE1 4.22Å; F4-F27 HydrophobicContact CB-CZ 3.89Å; F4-F27 AromaticContact CD1-CZ 4Å; F4-F27 HydrophobicContact CD1-CZ 4Å; F4-F27 HydrophobicContact CG-CZ 4.29Å; E9-F27 CarbonylContact O-C 3.57Å; E9-F27 WeakPolarHBondContact O-CA 3.48Å; V10-F27 HydrophobicContact CG2-CD1 4.05Å; V10-F27 HydrophobicContact CG2-CE1 3.69Å; V10-F27 HydrophobicContact CG2-CZ 4.33Å; V25-F27 HydrophobicContact CG1-CD2 4.31Å; V25-F27 HydrophobicContact CG1-CE2 3.8Å; V25-F27 HydrophobicContact CG1-CZ 4.06Å; F27-V32 HydrophobicContact CD1-CB 4.45Å; F27-V32 HydrophobicContact CD1-CG1 3.65Å; F27-V32 HydrophobicContact CE1-CG1 3.79Å; F27-V32 HydrophobicContact CG-CG1 4.03Å; F27-V32 HydrophobicContact CZ-CG1 4.28Å; F27-A33 HydrophobicContact CD2-CB 4.29Å; F27-L36 HydrophobicContact CE1-CD1 4.39Å; F27-L36 HydrophobicContact CE2-CD1 3.78Å; F27-L36 HydrophobicContact CZ-CD1 3.53Å; F27-T82 PolarHBondContact N-O 2.91Å; F27-T82 WeakPolarHBondContact O-CB 3.5Å; F27-L84 HydrophobicContact CD2-CD1 4.38Å; F27-L84 HydrophobicContact CE2-CD1 4Å
28A90.1Very high90.7Very high55 Ų5555.3 Ų55.346%0.45531%0.309SS..SBendtrans-72.6-32.9172.200000112.1E9 V11E9-A28 HydrophobicContact CB-CB 3.92Å; E9-A28 HydrophobicContact CG-CB 4.2Å; E9-A28 PolarHBondContact O-N 3.26Å; V11-A28 HydrophobicContact CG2-CB 3.67Å
29D89.2Confident90.7Very high70 Ų7055.7 Ų55.737%0.37430%0.302SS..  trans-108.6128.7-178.1-170.9-19.2000110.9K31 V32 A33D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.37Å; D29-K31 WeakPolarHBondContact OD1-CB 3.25Å; D29-K31 PolarHBondContact OD1-N 2.82Å; D29-V32 HydrophobicContact CB-CB 4.47Å; D29-V32 HydrophobicContact CB-CG2 3.99Å; D29-V32 PolarHBondContact O-N 3.48Å; D29-A33 PolarHBondContact O-N 3.29Å
30D86.4Confident90.8Very high47 Ų4754.2 Ų54.225%0.25130%0.301SS..Hα-helixtrans-67.4-30.3177.365-78.7000112.7V32 A33 Q34 R80 T82D30-V32 VanDerWaalsContact C-N 3.34Å; D30-V32 PolarHBondContact O-N 3Å; D30-A33 PolarHBondContact O-N 3.3Å; D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 3.34Å; D30-R80 HydrophobicContact CB-CB 4.39Å; D30-R80 WeakPolarHBondContact OD2-CD 3.48Å; D30-R80 IonicContact OD2-NE 3.84Å; D30-T82 HydrophobicContact CB-CG2 3.78Å
31K90.1Very high90.9Very high135 Ų13547.5 Ų47.559%0.58728%0.277SS*.Hα-helixtrans-64.3-41.7178.3-63.6177.2-178.6175.60111.5D29 A33 Q34 S35D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.37Å; D29-K31 WeakPolarHBondContact OD1-CB 3.25Å; D29-K31 PolarHBondContact OD1-N 2.82Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 2.85Å; K31-Q34 PolarHBondContact O-N 2.81Å; K31-S35 PolarHBondContact O-N 3.12Å; K31-S35 PolarHBondContact O-OG 3.31Å; K31-S35 VanDerWaalsContact O-OG 3.12Å
32V91.5Very high90.9Very high26 Ų2651.4 Ų51.416%0.15829%0.291CS..Hα-helixtrans-61.2-45.1175.6176.70000110Y7 F27 D29 D30 Q34 S35 L36Y7-V32 VanDerWaalsContact O-CG1 3.28Å; Y7-V32 WeakPolarHBondContact O-CG1 3.37Å; Y7-V32 WeakPolarHBondContact O-CG2 3.36Å; F27-V32 HydrophobicContact CD1-CB 4.45Å; F27-V32 HydrophobicContact CD1-CG1 3.65Å; F27-V32 HydrophobicContact CE1-CG1 3.79Å; F27-V32 HydrophobicContact CG-CG1 4.03Å; F27-V32 HydrophobicContact CZ-CG1 4.28Å; D29-V32 HydrophobicContact CB-CB 4.47Å; D29-V32 HydrophobicContact CB-CG2 3.99Å; D29-V32 PolarHBondContact O-N 3.48Å; D30-V32 VanDerWaalsContact C-N 3.34Å; D30-V32 PolarHBondContact O-N 3Å; V32-Q34 PolarHBondContact O-N 3.06Å; V32-S35 PolarHBondContact O-N 2.66Å; V32-L36 HydrophobicContact CG1-CD1 4.26Å; V32-L36 WeakPolarHBondContact O-CG 3.35Å; V32-L36 PolarHBondContact O-N 3.12Å
33A90.3Very high90.8Very high0 Ų051.2 Ų51.20%029%0.291CS..Hα-helixtrans-62.5-43.4177.700000111.9F27 D29 D30 K31 L36 C37 L84F27-A33 HydrophobicContact CD2-CB 4.29Å; D29-A33 PolarHBondContact O-N 3.29Å; D30-A33 PolarHBondContact O-N 3.3Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 2.85Å; A33-L36 PolarHBondContact O-N 3.38Å; A33-C37 WeakPolarHBondContact O-CB 3.17Å; A33-C37 PolarHBondContact O-N 3.08Å; A33-C37 VanDerWaalsContact O-N 3.12Å; A33-L84 HydrophobicContact CB-CD1 4.34Å; A33-L84 HydrophobicContact CB-CD2 4.25Å; A33-L84 HydrophobicContact CB-CG 4.17Å; A33-L84 WeakPolarHBondContact O-CD1 3.48Å; A33-L84 WeakPolarHBondContact O-CD2 3.43Å
34Q89.6Confident90.6Very high82 Ų8260.4 Ų60.438%0.38333%0.328SS..Hα-helixtrans-63.1-41.5176.9-71.1-157.9-61.100112.5D30 K31 V32 L36 C37D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 3.34Å; K31-Q34 PolarHBondContact O-N 2.81Å; V32-Q34 PolarHBondContact O-N 3.06Å; Q34-L36 PolarHBondContact O-N 3.43Å; Q34-C37 PolarHBondContact O-N 3.21Å
35S91.3Very high90.6Very high94 Ų9462 Ų6266%0.65736%0.355SS*.Hα-helixtrans-65.4-26179.4-67.80000113.7K31 V32K31-S35 PolarHBondContact O-N 3.12Å; K31-S35 PolarHBondContact O-OG 3.31Å; K31-S35 VanDerWaalsContact O-OG 3.12Å; V32-S35 PolarHBondContact O-N 2.66Å
36L90.8Very high90.6Very high10 Ų1065.9 Ų65.95%0.05237%0.374CS..Hα-helixtrans-93.2-14177.9-66.9175.7000113.2Y7 F27 V32 A33 Q34 G38 E39 L41 I50 L84Y7-L36 HydrophobicContact CD1-CD2 3.77Å; Y7-L36 HydrophobicContact CD2-CD1 4.17Å; Y7-L36 HydrophobicContact CD2-CD2 4.3Å; Y7-L36 HydrophobicContact CE1-CD2 3.9Å; Y7-L36 HydrophobicContact CE2-CD2 4.43Å; Y7-L36 HydrophobicContact CG-CD1 3.99Å; Y7-L36 HydrophobicContact CG-CD2 3.97Å; Y7-L36 HydrophobicContact CG-CG 4.48Å; F27-L36 HydrophobicContact CE1-CD1 4.39Å; F27-L36 HydrophobicContact CE2-CD1 3.78Å; F27-L36 HydrophobicContact CZ-CD1 3.53Å; V32-L36 HydrophobicContact CG1-CD1 4.26Å; V32-L36 WeakPolarHBondContact O-CG 3.35Å; V32-L36 PolarHBondContact O-N 3.12Å; A33-L36 PolarHBondContact O-N 3.38Å; Q34-L36 PolarHBondContact O-N 3.43Å; L36-G38 PolarHBondContact O-N 2.88Å; L36-E39 PolarHBondContact O-N 2.82Å; L36-L41 HydrophobicContact CD2-CD1 4.3Å; L36-I50 HydrophobicContact CB-CD1 4.4Å; L36-I50 HydrophobicContact CB-CG2 4.48Å; L36-I50 WeakPolarHBondContact O-CB 3.33Å; L36-I50 VanDerWaalsContact O-CG2 3.25Å; L36-I50 WeakPolarHBondContact O-CG2 3.46Å; L36-L84 HydrophobicContact CB-CD1 3.69Å; L36-L84 HydrophobicContact CD1-CD1 4.39Å
37C90.2Very high90.7Very high37 Ų3768 Ų6825%0.2539%0.39CS..THydrogen-bonded Turntrans-73.4125.7-176.2-1760000111A33 Q34 N52 L84A33-C37 WeakPolarHBondContact O-CB 3.17Å; A33-C37 PolarHBondContact O-N 3.08Å; A33-C37 VanDerWaalsContact O-N 3.12Å; Q34-C37 PolarHBondContact O-N 3.21Å; C37-N52 PolarHBondContact SG-N 3.46Å; C37-N52 PolarHBondContact SG-OD1 3.31Å; C37-L84 HydrophobicContact CB-CD2 4.01Å
38G89.7Confident90.8Very high48 Ų4867.8 Ų67.850%0.49539%0.389SS..THydrogen-bonded Turntrans89.71.7-177.800000114.1L36 I50L36-G38 PolarHBondContact O-N 2.88Å; G38-I50 WeakPolarHBondContact CA-O 3.4Å; G38-I50 PolarHBondContact N-O 2.89Å
39E92.1Very high91.1Very high105 Ų10569.1 Ų69.149%0.49139%0.386SS..  trans-92146.3178.1-66.1-69.912100111.9L36 L41 I50L36-E39 PolarHBondContact O-N 2.82Å; E39-L41 HydrophobicContact CB-CD2 4.42Å; E39-I50 WeakPolarHBondContact O-CB 3.37Å; E39-I50 PolarHBondContact O-N 2.99Å
40D93.5Very high91.3Very high103 Ų10365.8 Ų65.855%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-100.2120167.8-71.2-74.3000109.6V48 H49D40-V48 CarbonylContact C-O 3.54Å; D40-V48 WeakPolarHBondContact CA-O 3.49Å; D40-H49 IonicContact OD1-CD2 3.6Å; D40-H49 PolarHBondContact OD1-CD2 2.79Å; D40-H49 IonicContact OD1-CG 3.39Å
41L91.8Very high91.5Very high25 Ų2565.2 Ų65.213%0.13137%0.367CS..EExtended strand (participates in β ladder)trans-114.8152.2-179.6-57.4-175.8000111.2F3 Y7 L36 E39 S47 V48 I50F3-L41 HydrophobicContact CE1-CD1 3.88Å; F3-L41 HydrophobicContact CZ-CD1 4.36Å; Y7-L41 HydrophobicContact CE2-CD1 4.25Å; L36-L41 HydrophobicContact CD2-CD1 4.3Å; E39-L41 HydrophobicContact CB-CD2 4.42Å; L41-S47 CarbonylContact O-C 3.42Å; L41-V48 HydrophobicContact CB-CG2 3.84Å; L41-V48 PolarHBondContact N-O 2.85Å; L41-V48 WeakPolarHBondContact O-CG2 3.38Å; L41-V48 PolarHBondContact O-N 3.02Å; L41-I50 HydrophobicContact CD1-CD1 3.47Å; L41-I50 VanDerWaalsContact CD1-CD1 3.47Å; L41-I50 HydrophobicContact CG-CD1 3.86Å
42I92.3Very high91.5Very high124 Ų12462.5 Ų62.564%0.63636%0.359SS*.EExtended strand (participates in β ladder)trans-105.3110.8172.1-59.7175.8000109.2I46I42-I46 CarbonylContact C-O 3.58Å; I42-I46 WeakPolarHBondContact CA-O 3.22Å
43I89.8Confident91.2Very high29 Ų2961.7 Ų61.715%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-107.4110.1178-53.7-177.9000108.5F3 F4 G45 I46 V48F3-I43 HydrophobicContact CB-CG2 4.22Å; F3-I43 HydrophobicContact CD1-CD1 3.39Å; F3-I43 HydrophobicContact CD1-CG1 3.66Å; F3-I43 HydrophobicContact CD1-CG2 4.42Å; F3-I43 HydrophobicContact CD2-CG1 4.23Å; F3-I43 HydrophobicContact CD2-CG2 4.08Å; F3-I43 HydrophobicContact CE1-CD1 3.59Å; F3-I43 HydrophobicContact CE1-CG1 3.51Å; F3-I43 HydrophobicContact CE2-CG1 4.1Å; F3-I43 HydrophobicContact CG-CD1 4.01Å; F3-I43 HydrophobicContact CG-CG1 4.03Å; F3-I43 HydrophobicContact CG-CG2 3.98Å; F3-I43 HydrophobicContact CZ-CD1 4.34Å; F3-I43 HydrophobicContact CZ-CG1 3.75Å; F4-I43 HydrophobicContact CE1-CD1 4.46Å; F4-I43 HydrophobicContact CE2-CD1 3.98Å; F4-I43 HydrophobicContact CZ-CD1 3.69Å; I43-G45 PolarHBondContact O-N 2.84Å; I43-I46 PolarHBondContact N-O 3.12Å; I43-I46 WeakPolarHBondContact O-CB 3.35Å; I43-I46 PolarHBondContact O-N 3.38Å; I43-V48 HydrophobicContact CD1-CG1 4.24Å; I43-V48 HydrophobicContact CD1-CG2 3.63Å; I43-V48 HydrophobicContact CG1-CG1 4.41Å; I43-V48 HydrophobicContact CG1-CG2 3.85Å
44K88.9Confident90.6Very high208 Ų20869 Ų6990%0.90439%0.39SS*.THydrogen-bonded Turntrans53.834.7179.6-57.7-178.9176.1-174.50113.7
45G91Very high89.6Confident68 Ų6868.5 Ų68.570%0.70139%0.393SS*.THydrogen-bonded Turntrans85.92.8-178.100000115.2I43I43-G45 PolarHBondContact O-N 2.84Å
46I91.3Very high88.2Confident84 Ų8471.8 Ų71.843%0.43140%0.396SS..EExtended strand (participates in β ladder)trans-101.2127.5174-55.9172.4000108.7I42 I43 V48 L88I42-I46 CarbonylContact C-O 3.58Å; I42-I46 WeakPolarHBondContact CA-O 3.22Å; I43-I46 PolarHBondContact N-O 3.12Å; I43-I46 WeakPolarHBondContact O-CB 3.35Å; I43-I46 PolarHBondContact O-N 3.38Å; I46-V48 HydrophobicContact CG2-CG1 4.34Å; I46-L88 HydrophobicContact CG2-CD2 3.81Å
47S93Very high86.5Confident73 Ų7379.1 Ų79.151%0.5143%0.43SS..EExtended strand (participates in β ladder)trans-72.8127.7171.7-163.50000109.1L41L41-S47 CarbonylContact O-C 3.42Å
48V94.4Very high84.5Confident1 Ų184.1 Ų84.11%0.00645%0.454CS..EExtended strand (participates in β ladder)trans-124.2133176-56.10000110.4D40 L41 I43 I46 V86 V87 L88D40-V48 CarbonylContact C-O 3.54Å; D40-V48 WeakPolarHBondContact CA-O 3.49Å; L41-V48 HydrophobicContact CB-CG2 3.84Å; L41-V48 PolarHBondContact N-O 2.85Å; L41-V48 WeakPolarHBondContact O-CG2 3.38Å; L41-V48 PolarHBondContact O-N 3.02Å; I43-V48 HydrophobicContact CD1-CG1 4.24Å; I43-V48 HydrophobicContact CD1-CG2 3.63Å; I43-V48 HydrophobicContact CG1-CG1 4.41Å; I43-V48 HydrophobicContact CG1-CG2 3.85Å; I46-V48 HydrophobicContact CG2-CG1 4.34Å; V48-V86 HydrophobicContact CB-CG1 3.81Å; V48-V86 HydrophobicContact CG1-CG1 4.27Å; V48-V86 HydrophobicContact CG2-CG1 4.03Å; V48-V87 CarbonylContact C-O 3.44Å; V48-V87 WeakPolarHBondContact CA-O 3.48Å; V48-V87 WeakPolarHBondContact CB-O 3.46Å; V48-L88 HydrophobicContact CG1-CD2 3.74Å; V48-L88 HydrophobicContact CG1-CG 4.33Å
49H95.2Very high82.4Confident83 Ų8386.7 Ų86.738%0.38446%0.464SS..EExtended strand (participates in β ladder)trans-100.2130.8175.7177.2-89.8000109.9D40 V87D40-H49 IonicContact OD1-CD2 3.6Å; D40-H49 PolarHBondContact OD1-CD2 2.79Å; D40-H49 IonicContact OD1-CG 3.39Å; H49-V87 PolarHBondContact N-O 2.9Å; H49-V87 PolarHBondContact O-N 2.83Å
50I93.6Very high80.2Confident0 Ų088 Ų880%048%0.475CS..EExtended strand (participates in β ladder)trans-109.4124.4-176.4-54.8-178.8000110F4 L36 G38 E39 L41 L84 K85 V86F4-I50 HydrophobicContact CE1-CD1 4.06Å; L36-I50 HydrophobicContact CB-CD1 4.4Å; L36-I50 HydrophobicContact CB-CG2 4.48Å; L36-I50 WeakPolarHBondContact O-CB 3.33Å; L36-I50 VanDerWaalsContact O-CG2 3.25Å; L36-I50 WeakPolarHBondContact O-CG2 3.46Å; G38-I50 WeakPolarHBondContact CA-O 3.4Å; G38-I50 PolarHBondContact N-O 2.89Å; E39-I50 WeakPolarHBondContact O-CB 3.37Å; E39-I50 PolarHBondContact O-N 2.99Å; L41-I50 HydrophobicContact CD1-CD1 3.47Å; L41-I50 VanDerWaalsContact CD1-CD1 3.47Å; L41-I50 HydrophobicContact CG-CD1 3.86Å; I50-L84 HydrophobicContact CG2-CB 3.87Å; I50-L84 HydrophobicContact CG2-CD1 3.55Å; I50-L84 HydrophobicContact CG2-CD2 4.39Å; I50-L84 HydrophobicContact CG2-CG 4.15Å; I50-K85 WeakPolarHBondContact CA-O 3.45Å; I50-V86 HydrophobicContact CG1-CG2 4.46Å
51S91.9Very high78.3Confident34 Ų3493.6 Ų93.624%0.23849%0.488CS..EExtended strand (participates in β ladder)trans-129.7168.8175.472.90000111.4A53 L84 K85S51-A53 PolarHBondContact O-N 2.79Å; S51-L84 CarbonylContact O-C 3.57Å; S51-L84 WeakPolarHBondContact O-CA 3.26Å; S51-K85 PolarHBondContact N-O 3.19Å; S51-K85 PolarHBondContact O-N 3.36Å
52N89.2Confident76.3Confident78 Ų78100.5 Ų100.542%0.41752%0.519SS..EExtended strand (participates in β ladder)trans-56.9141.2167.9-64.2101.2000110.5C37 E54C37-N52 PolarHBondContact SG-N 3.46Å; C37-N52 PolarHBondContact SG-OD1 3.31Å; N52-E54 PolarHBondContact O-N 3.5Å
53A84.8Confident74Confident9 Ų9101.7 Ų101.77%0.07453%0.526CS..PPolyproline II helixtrans-74.5124.3168.300000109.7F24 S51 S83F24-A53 HydrophobicContact CD1-CB 3.73Å; F24-A53 HydrophobicContact CE1-CB 4.04Å; S51-A53 PolarHBondContact O-N 2.79Å; A53-S83 WeakPolarHBondContact CB-O 3.47Å; A53-S83 PolarHBondContact N-O 2.87Å
54E79.4Confident71.8Confident155 Ų155106.9 Ų106.972%0.72455%0.55SS*.PPolyproline II helixtrans-84.7136.7174.4-66.5-179.8151.500110.7N52 K56N52-E54 PolarHBondContact O-N 3.5Å; E54-K56 PolarHBondContact O-N 3.5Å
55P67.6Low70Confident71 Ų71107.2 Ų107.246%0.46155%0.545SS..PPolyproline II helixtrans-55125.8166.5-1826.9000110.4H57 I74P55-H57 PolarHBondContact O-N 2.88Å; P55-I74 HydrophobicContact CB-CD1 3.43Å; P55-I74 VanDerWaalsContact CB-CD1 3.43Å; P55-I74 HydrophobicContact CB-CG1 4.35Å; P55-I74 HydrophobicContact CG-CD1 3.57Å; P55-I74 HydrophobicContact CG-CG1 4.09Å
56K62.2Low67.8Low163 Ų163110.1 Ų110.171%0.70956%0.555SS**  trans-67.3104.1161.5-77.7-175.8177.3178.10107.5E54 N58E54-K56 PolarHBondContact O-N 3.5Å; K56-N58 PolarHBondContact O-N 2.85Å
57H54.7Low65.3Low164 Ų164109 Ų10976%0.75956%0.564SS**  trans-62106.3165-162.274.7000106.6P55 S59P55-H57 PolarHBondContact O-N 2.88Å; H57-S59 VanDerWaalsContact C-N 3.26Å; H57-S59 PolarHBondContact O-N 2.88Å; H57-S59 PolarHBondContact O-OG 3.06Å
58N48.2Very low63.2Low142 Ų142116.9 Ų116.976%0.75958%0.583SS**  trans-73.690.3175.9-160.416.6000106.6K56 N60K56-N58 PolarHBondContact O-N 2.85Å; N58-N60 PolarHBondContact O-N 2.76Å
59S46Very low60.7Low101 Ų101126.4 Ų126.471%0.70662%0.624SS**  trans-73.357.7177-47.20000110.6H57H57-S59 VanDerWaalsContact C-N 3.26Å; H57-S59 PolarHBondContact O-N 2.88Å; H57-S59 PolarHBondContact O-OG 3.06Å
60N44.6Very low58.2Low134 Ų134126.1 Ų126.172%0.71764%0.644SS**  trans-121.7118.6162.4-136.27.9000107.7N58N58-N60 PolarHBondContact O-N 2.76Å
61R54Low56Low219 Ų219132.4 Ų132.483%0.82668%0.682SS**  trans-43.4143.8-164.2-74.2175.6-96.8-175.2-7.3115.6
62Q51.2Low53.7Low170 Ų170137 Ų13779%0.79470%0.699SS**  trans60.798.1132.9-170.6-174.76.900117.1
63L43Very low51.7Low149 Ų149140.8 Ų140.878%0.7872%0.719SS**  -173.3125.7127.4-135.248.7000111.5
64E43.1Very low50.2Low138 Ų138142.6 Ų142.665%0.64573%0.727SS**  trans53110136.5-59.4-76.198.200117.6
65R51.3Low48.8Very low215 Ų215138 Ų13881%0.81171%0.712SS**  44.8110.895.3-75.3179.3165.7170.7-3.3112.1
66S46.2Very low47.7Very low129 Ų129139.4 Ų139.490%0.90272%0.716SS**  trans96.3119.8169.5730000117.6
67G37.2Very low46.8Very low60 Ų60137 Ų13762%0.61971%0.714SS**  trans8780.2165.400000115.3F69G67-F69 PolarHBondContact O-N 2.85Å
68R49.3Very low46.1Very low240 Ų240137.8 Ų137.891%0.90671%0.712SS**  47.220.489-73.1-160.8-179.8-172.71.6118.3
69F43.2Very low46.2Very low201 Ų201134.1 Ų134.188%0.88271%0.707SS**  trans-146.7114.5169.8-69-82.7000112.7G67G67-F69 PolarHBondContact O-N 2.85Å
70G42.3Very low47Very low77 Ų77134.5 Ų134.579%0.79469%0.693SS**SBendtrans137.4-16.9157.400000118.5
71V45.8Very low48.5Very low132 Ų132128.6 Ų128.680%0.866%0.663SS**SBendtrans-141.45.2-177.6-66.90000114.7
72H44.2Very low50.2Low129 Ų129119.7 Ų119.760%0.59763%0.633SS**THydrogen-bonded Turntrans-90.33.3-172.4-160.472.6000114.8
73L47.6Very low52Low159 Ų159112 Ų11283%0.83260%0.598SS**THydrogen-bonded Turntrans-90.2-4.5-177.7-65.5-176.2000115
74I52.5Low54.3Low47 Ų47105 Ų10524%0.24156%0.561CS.*SBendtrans-99.8-0.6175.856.6177.4000113.3P55 S81P55-I74 HydrophobicContact CB-CD1 3.43Å; P55-I74 VanDerWaalsContact CB-CD1 3.43Å; P55-I74 HydrophobicContact CB-CG1 4.35Å; P55-I74 HydrophobicContact CG-CD1 3.57Å; P55-I74 HydrophobicContact CG-CG1 4.09Å; I74-S81 WeakPolarHBondContact O-CB 3.41Å; I74-S81 PolarHBondContact O-OG 3.39Å
75S50.9Low56.7Low59 Ų59101.4 Ų101.441%0.41354%0.543SS..  trans-142.775.8177-53.40000108.4
76N43.3Very low58.6Low100 Ų10091.5 Ų91.554%0.53551%0.507SS..BIsolated β-bridgetrans-62.2145.4163.5-152.730000107.8Y78 G79N76-Y78 PolarHBondContact O-N 2.94Å; N76-G79 PolarHBondContact O-N 2.77Å; N76-G79 VanDerWaalsContact O-N 3.12Å
77V44.1Very low60.9Low112 Ų11287.7 Ų87.768%0.67948%0.478SS*.THydrogen-bonded Turntrans-56.516.3-167.6168.60000115.9
78Y40.1Very low63.4Low180 Ų18089.8 Ų89.871%0.70648%0.475SS*.THydrogen-bonded Turntrans-132.69.9-179.5-64.7-83.5000114.6N76 R80N76-Y78 PolarHBondContact O-N 2.94Å; Y78-R80 PolarHBondContact O-N 3.25Å
79G51.3Low64.1Low65 Ų6582.3 Ų82.367%0.6745%0.453SS*.THydrogen-bonded Turntrans70.715-174.500000114N76N76-G79 PolarHBondContact O-N 2.77Å; N76-G79 VanDerWaalsContact O-N 3.12Å
80R61.9Low65.2Low109 Ų10976.1 Ų76.141%0.41143%0.43SS..BIsolated β-bridgetrans-97.288.9-179.8-72.7179.9148.9160.31.4109.9D30 Y78D30-R80 HydrophobicContact CB-CB 4.39Å; D30-R80 WeakPolarHBondContact OD2-CD 3.48Å; D30-R80 IonicContact OD2-NE 3.84Å; Y78-R80 PolarHBondContact O-N 3.25Å
81S77Confident66.5Low10 Ų1076 Ų767%0.0741%0.41CS..  trans-82.9130.1171.7-176.70000109.9I74 S83I74-S81 WeakPolarHBondContact O-CB 3.41Å; I74-S81 PolarHBondContact O-OG 3.39Å; S81-S83 PolarHBondContact OG-N 2.83Å; S81-S83 PolarHBondContact OG-O 2.99Å; S81-S83 VanDerWaalsContact OG-O 3.12Å
82T88.1Confident67.7Low32 Ų3272.7 Ų72.720%0.19639%0.387CS..SBendtrans-80.2-10170.252.10000112.5F27 D30F27-T82 PolarHBondContact N-O 2.91Å; F27-T82 WeakPolarHBondContact O-CB 3.5Å; D30-T82 HydrophobicContact CB-CG2 3.78Å
83S89.6Confident69.1Low10 Ų1069.2 Ų69.27%0.0737%0.374CS..EExtended strand (participates in β ladder)trans-97.9128.3178.9-61.30000110.9V25 T26 A53 S81V25-S83 CarbonylContact O-C 3.58Å; V25-S83 WeakPolarHBondContact O-CA 3.12Å; T26-S83 PolarHBondContact OG1-OG 3.34Å; A53-S83 WeakPolarHBondContact CB-O 3.47Å; A53-S83 PolarHBondContact N-O 2.87Å; S81-S83 PolarHBondContact OG-N 2.83Å; S81-S83 PolarHBondContact OG-O 2.99Å; S81-S83 VanDerWaalsContact OG-O 3.12Å
84L91.5Very high70.6Confident1 Ų163.2 Ų63.21%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-113.3145.4176.4-59.3179.5000110.5F24 V25 F27 A33 L36 C37 I50 S51F24-L84 CarbonylContact C-O 3.47Å; F24-L84 WeakPolarHBondContact CA-O 3.09Å; V25-L84 PolarHBondContact N-O 3.22Å; V25-L84 PolarHBondContact O-N 2.97Å; F27-L84 HydrophobicContact CD2-CD1 4.38Å; F27-L84 HydrophobicContact CE2-CD1 4Å; A33-L84 HydrophobicContact CB-CD1 4.34Å; A33-L84 HydrophobicContact CB-CD2 4.25Å; A33-L84 HydrophobicContact CB-CG 4.17Å; A33-L84 WeakPolarHBondContact O-CD1 3.48Å; A33-L84 WeakPolarHBondContact O-CD2 3.43Å; L36-L84 HydrophobicContact CB-CD1 3.69Å; L36-L84 HydrophobicContact CD1-CD1 4.39Å; C37-L84 HydrophobicContact CB-CD2 4.01Å; I50-L84 HydrophobicContact CG2-CB 3.87Å; I50-L84 HydrophobicContact CG2-CD1 3.55Å; I50-L84 HydrophobicContact CG2-CD2 4.39Å; I50-L84 HydrophobicContact CG2-CG 4.15Å; S51-L84 CarbonylContact O-C 3.57Å; S51-L84 WeakPolarHBondContact O-CA 3.26Å
85K92.3Very high71.9Confident62 Ų6264.4 Ų64.427%0.2735%0.351SS..EExtended strand (participates in β ladder)trans-95.8121.1168-178.4-174.7178-172.20108F22 A23 F24 I50 S51 V87F22-K85 HydrophobicContact CB-CG 4.41Å; F22-K85 HydrophobicContact CD2-CG 4.21Å; A23-K85 WeakPolarHBondContact O-CA 3.4Å; F24-K85 HydrophobicContact CD1-CB 4.01Å; F24-K85 HydrophobicContact CD1-CG 4.37Å; F24-K85 HydrophobicContact CE1-CB 3.93Å; F24-K85 HydrophobicContact CE1-CD 4.38Å; F24-K85 HydrophobicContact CE1-CG 4.02Å; I50-K85 WeakPolarHBondContact CA-O 3.45Å; S51-K85 PolarHBondContact N-O 3.19Å; S51-K85 PolarHBondContact O-N 3.36Å; K85-V87 HydrophobicContact CD-CG2 4.32Å; K85-V87 HydrophobicContact CG-CG2 4.21Å
86V93.1Very high73.5Confident8 Ų864.8 Ų64.85%0.04835%0.346CS..EExtended strand (participates in β ladder)trans-105.3114.6177.3-176.30000107.5F4 F22 A23 V25 V48 I50F4-V86 HydrophobicContact CE1-CG2 4.38Å; F4-V86 HydrophobicContact CE2-CG2 4.3Å; F4-V86 HydrophobicContact CZ-CG1 4.04Å; F4-V86 HydrophobicContact CZ-CG2 3.75Å; F22-V86 CarbonylContact C-O 3.6Å; F22-V86 WeakPolarHBondContact CA-O 3.14Å; F22-V86 VanDerWaalsContact CB-O 3.26Å; F22-V86 WeakPolarHBondContact CB-O 3.41Å; A23-V86 PolarHBondContact N-O 2.91Å; A23-V86 PolarHBondContact O-N 2.82Å; V25-V86 HydrophobicContact CG2-CG2 3.9Å; V48-V86 HydrophobicContact CB-CG1 3.81Å; V48-V86 HydrophobicContact CG1-CG1 4.27Å; V48-V86 HydrophobicContact CG2-CG1 4.03Å; I50-V86 HydrophobicContact CG1-CG2 4.46Å
87V93.6Very high76Confident49 Ų4961.8 Ų61.830%0.29733%0.331SS..EExtended strand (participates in β ladder)trans-99.8131.8177.5-175.40000108.3F22 V48 H49 K85F22-V87 HydrophobicContact CB-CG2 4.11Å; V48-V87 CarbonylContact C-O 3.44Å; V48-V87 WeakPolarHBondContact CA-O 3.48Å; V48-V87 WeakPolarHBondContact CB-O 3.46Å; H49-V87 PolarHBondContact N-O 2.9Å; H49-V87 PolarHBondContact O-N 2.83Å; K85-V87 HydrophobicContact CD-CG2 4.32Å; K85-V87 HydrophobicContact CG-CG2 4.21Å
88L89.2Confident78.9Confident104 Ų10457.3 Ų57.355%0.54530%0.299SS..  trans-92.20177.6-69.1148.5000111.6F19 A21 I46 V48F19-L88 HydrophobicContact CE2-CD1 3.99Å; F19-L88 HydrophobicContact CZ-CD1 3.51Å; A21-L88 PolarHBondContact O-N 3.48Å; I46-L88 HydrophobicContact CG2-CD2 3.81Å; V48-L88 HydrophobicContact CG1-CD2 3.74Å; V48-L88 HydrophobicContact CG1-CG 4.33Å

Retrieved 88 of 88 residues in 112.4 ms (Link to these results)