A0A077ZLT2_TRITR Loading...

Auxin-induced protein X10A

AlphaFold DB , UniProt , Accession A0A077ZLT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 77 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
1M38.4Very low80.3Confident218 Ų218106.7 Ų106.7100%1.07456%0.562SS**  0115.10-75175.7173.100104.9H3M1-H3 PolarHBondContact O-N 2.7Å
2G49.8Very low81.6Confident52 Ų5299.8 Ų99.854%0.53653%0.529SS..PPolyproline II helixtrans-62.5128.4-174.500000109.9F4G2-F4 PolarHBondContact O-N 2.6Å
3H64.3Low82.7Confident126 Ų12699.1 Ų99.158%0.58353%0.526SS*.PPolyproline II helixtrans-65.8116.6168.8-76.4-82.8000107.2M1 D44M1-H3 PolarHBondContact O-N 2.7Å; H3-D44 IonicContact CD2-OD2 3Å; H3-D44 PolarHBondContact CD2-OD2 3.3Å; H3-D44 IonicContact CG-OD2 3.74Å; H3-D44 IonicContact NE2-OD2 3.53Å
4F78.1Confident83.8Confident181 Ų18197 Ų9779%0.79451%0.507SS*.PPolyproline II helixtrans-65.1144.5170.4-70.1-81.2000108.4G2G2-F4 PolarHBondContact O-N 2.6Å
5P90Very high84.7Confident22 Ų2290.5 Ų90.514%0.14347%0.473CS..PPolyproline II helixtrans-64150.817630.1-35.7000110.4V40 V41 L42 W51P5-V40 HydrophobicContact CB-CG1 3.61Å; P5-V40 HydrophobicContact CG-CG1 3.81Å; P5-V41 VanDerWaalsContact CA-O 3.28Å; P5-V41 WeakPolarHBondContact CA-O 3.5Å; P5-V41 WeakPolarHBondContact CB-O 3.31Å; P5-L42 HydrophobicContact CB-CG 4.18Å; P5-W51 VanDerWaalsContact CG-CD1 3.44Å; P5-W51 HydrophobicContact CG-CD2 4.43Å; P5-W51 HydrophobicContact CG-CG 3.94Å
6E94.8Very high85.5Confident67 Ų6786.9 Ų86.931%0.31345%0.454SS..EExtended strand (participates in β ladder)trans-76134.6172.2-173.669.4-167.600108.7W26 V40 V41 Y43E6-W26 HydrophobicContact CB-CB 3.41Å; E6-W26 VanDerWaalsContact CB-CB 3.41Å; E6-W26 HydrophobicContact CB-CD2 4.35Å; E6-W26 HydrophobicContact CB-CG 3.67Å; E6-W26 HydrophobicContact CG-CB 3.73Å; E6-W26 HydrophobicContact CG-CD2 3.71Å; E6-W26 HydrophobicContact CG-CE3 4.05Å; E6-W26 HydrophobicContact CG-CG 3.57Å; E6-V40 CarbonylContact O-C 3.59Å; E6-V40 WeakPolarHBondContact O-CA 3.46Å; E6-V41 HydrophobicContact CB-CB 4.42Å; E6-V41 PolarHBondContact N-O 2.72Å; E6-V41 VanDerWaalsContact N-O 3.09Å; E6-V41 PolarHBondContact O-N 2.86Å; E6-Y43 HydrophobicContact CB-CE1 4Å
7T94.4Very high86.2Confident55 Ų5582 Ų8234%0.33743%0.429SS..EExtended strand (participates in β ladder)trans-123.7136.8-177.2-51.30000111.1E9 L39 V40T7-E9 HydrophobicContact CG2-CG 3.71Å; T7-L39 CarbonylContact C-O 3.59Å; T7-L39 VanDerWaalsContact CA-O 3.28Å; T7-L39 WeakPolarHBondContact CA-O 3.16Å; T7-V40 HydrophobicContact CG2-CG2 3.95Å
8I94.2Very high86.8Confident51 Ų5179.2 Ų79.226%0.26241%0.413SS..EExtended strand (participates in β ladder)trans-118.4105.2170.4-54.6-179.5000107.7R10 L34 D38 L39I8-R10 HydrophobicContact CG2-CG 4.37Å; I8-L34 HydrophobicContact CB-CD1 4.31Å; I8-L34 HydrophobicContact CD1-CD1 4.35Å; I8-L34 HydrophobicContact CG2-CD1 4.06Å; I8-D38 WeakPolarHBondContact O-CA 3.41Å; I8-L39 HydrophobicContact CB-CB 4.2Å; I8-L39 HydrophobicContact CD1-CD2 3.98Å; I8-L39 HydrophobicContact CG1-CD2 4.48Å; I8-L39 PolarHBondContact N-O 3.12Å; I8-L39 PolarHBondContact O-N 2.95Å
9E93.5Very high87.4Confident151 Ų15175.1 Ų75.171%0.70639%0.391SS*.  trans-97.7124.1178.3-58.2-178.8175.400110.2T7T7-E9 HydrophobicContact CG2-CG 3.71Å
10R92.1Very high87.9Confident176 Ų17671.3 Ų71.366%0.66437%0.371SS*.  trans-117.33.3177-64.7179.9176.5-106.32.2112I8 S12 D38I8-R10 HydrophobicContact CG2-CG 4.37Å; R10-S12 VanDerWaalsContact C-N 3.31Å; R10-D38 WeakPolarHBondContact CA-OD1 3.47Å; R10-D38 PolarHBondContact N-OD1 2.77Å
11G93.8Very high88.3Confident75 Ų7568.1 Ų68.177%0.77336%0.356SS*.SBendtrans73.226-173.300000112.4D38G11-D38 PolarHBondContact N-OD1 3Å
12S95.4Very high91Very high23 Ų2367.9 Ų67.916%0.16134%0.343CS..  trans-73.2152.3173.5-175.20000110.9R10 R14 G36 D38 Y57R10-S12 VanDerWaalsContact C-N 3.31Å; S12-R14 VanDerWaalsContact C-N 3.29Å; S12-R14 PolarHBondContact OG-N 3.35Å; S12-R14 PolarHBondContact OG-O 3.2Å; S12-G36 VanDerWaalsContact OG-C 3.31Å; S12-G36 PolarHBondContact OG-O 2.81Å; S12-D38 WeakPolarHBondContact CB-OD1 3.37Å; S12-D38 PolarHBondContact N-OD1 3.05Å; S12-D38 VanDerWaalsContact N-OD1 3.12Å; S12-Y57 WeakPolarHBondContact O-CE1 3.43Å
13D95.9Very high93.2Very high91 Ų9168.9 Ų68.949%0.48735%0.354SS..SBendtrans-85-0.2166.971.7-35.6000112.7Y57 S58D13-Y57 CarbonylContact O-C 3.52Å; D13-Y57 WeakPolarHBondContact O-CA 3.48Å; D13-Y57 WeakPolarHBondContact O-CB 3.49Å; D13-Y57 WeakPolarHBondContact O-CD1 3.21Å; D13-S58 VanDerWaalsContact CG-OG 3.23Å; D13-S58 PolarHBondContact O-N 2.59Å; D13-S58 PolarHBondContact O-OG 2.71Å; D13-S58 VanDerWaalsContact O-OG 3.05Å; D13-S58 PolarHBondContact OD2-OG 3.47Å
14R97.7Very high94.6Very high70 Ų7067 Ų6726%0.26435%0.346SS..EExtended strand (participates in β ladder)trans-118140.2177.2-56177.8-66.4170.85.9111.9S12 D35 G36 F37 D38 Y57 E59S12-R14 VanDerWaalsContact C-N 3.29Å; S12-R14 PolarHBondContact OG-N 3.35Å; S12-R14 PolarHBondContact OG-O 3.2Å; R14-D35 PolarHBondContact NH2-O 2.82Å; R14-G36 PolarHBondContact NE-O 3.05Å; R14-G36 PolarHBondContact NH2-O 2.74Å; R14-F37 HydrophobicContact CB-CD1 3.51Å; R14-F37 HydrophobicContact CB-CE1 3.51Å; R14-F37 HydrophobicContact CB-CG 4.26Å; R14-F37 HydrophobicContact CB-CZ 4.26Å; R14-F37 HydrophobicContact CG-CE1 4.47Å; R14-F37 CarbonylContact O-C 3.59Å; R14-F37 WeakPolarHBondContact O-CA 3.33Å; R14-D38 PolarHBondContact O-N 3.38Å; R14-Y57 VanDerWaalsContact C-CD1 3.49Å; R14-E59 HydrophobicContact CB-CB 4.31Å; R14-E59 HydrophobicContact CG-CB 3.93Å; R14-E59 HydrophobicContact CG-CG 4.21Å
15L98Very high95.4Very high0 Ų061.5 Ų61.50%033%0.325CS..EExtended strand (participates in β ladder)trans-116128.8-179.3-179.863.8000112.1V17 D38 V40 W51 L53 P54 Y57 E59 Y60 H61L15-V17 HydrophobicContact CD2-CG2 3.96Å; L15-V17 HydrophobicContact CG-CG2 4.05Å; L15-D38 HydrophobicContact CD1-CB 4.07Å; L15-V40 HydrophobicContact CD1-CB 4.42Å; L15-V40 HydrophobicContact CD1-CG2 3.83Å; L15-W51 HydrophobicContact CD2-CH2 4.4Å; L15-L53 HydrophobicContact CD2-CD1 4.05Å; L15-P54 HydrophobicContact CD2-CG 3.66Å; L15-Y57 HydrophobicContact CB-CD1 3.74Å; L15-Y57 HydrophobicContact CB-CD2 3.79Å; L15-Y57 HydrophobicContact CB-CE1 4Å; L15-Y57 HydrophobicContact CB-CE2 4.05Å; L15-Y57 HydrophobicContact CB-CG 3.63Å; L15-Y57 HydrophobicContact CD1-CE2 4.32Å; L15-Y57 HydrophobicContact CD2-CD2 3.98Å; L15-Y57 HydrophobicContact CD2-CE2 3.93Å; L15-Y57 HydrophobicContact CG-CD2 4.41Å; L15-Y57 HydrophobicContact CG-CE2 4.33Å; L15-E59 PolarHBondContact N-O 2.74Å; L15-Y60 HydrophobicContact CB-CD1 4.05Å; L15-Y60 HydrophobicContact CB-CE1 4.36Å; L15-Y60 HydrophobicContact CD2-CD1 3.93Å; L15-Y60 HydrophobicContact CD2-CE1 3.94Å; L15-Y60 HydrophobicContact CG-CD1 4.45Å; L15-Y60 WeakPolarHBondContact O-CA 3.32Å; L15-H61 PolarHBondContact O-N 3.11Å
16L97.5Very high95.6Very high32 Ų3263 Ų6317%0.16833%0.328CS..EExtended strand (participates in β ladder)trans-99.3120.9165.3176.659000109.6F37 D38 L39 V40 H61 A63L16-F37 HydrophobicContact CB-CB 4.21Å; L16-F37 HydrophobicContact CB-CD1 4.15Å; L16-F37 HydrophobicContact CB-CG 4.35Å; L16-D38 PolarHBondContact N-O 2.89Å; L16-L39 HydrophobicContact CB-CD1 4.09Å; L16-L39 HydrophobicContact CD2-CD1 3.82Å; L16-L39 HydrophobicContact CG-CD1 3.79Å; L16-L39 WeakPolarHBondContact O-CA 3.19Å; L16-V40 PolarHBondContact O-N 2.81Å; L16-H61 CarbonylContact C-O 3.51Å; L16-H61 WeakPolarHBondContact CA-O 3.32Å; L16-H61 HydrophobicContact CD1-CB 4.01Å; L16-A63 HydrophobicContact CD1-CB 4.11Å
17V97.4Very high95.6Very high4 Ų463.9 Ų63.92%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-101117172.1-173.80000108.2L15 F19 L42 W51 L53 H61 L62 A63L15-V17 HydrophobicContact CD2-CG2 3.96Å; L15-V17 HydrophobicContact CG-CG2 4.05Å; V17-F19 HydrophobicContact CG1-CD2 4.19Å; V17-F19 HydrophobicContact CG1-CE2 3.61Å; V17-F19 HydrophobicContact CG1-CZ 4.42Å; V17-L42 HydrophobicContact CG1-CD1 3.29Å; V17-W51 HydrophobicContact CG1-CH2 4.37Å; V17-W51 HydrophobicContact CG1-CZ3 4.02Å; V17-W51 HydrophobicContact CG2-CH2 3.97Å; V17-W51 HydrophobicContact CG2-CZ3 4.24Å; V17-L53 HydrophobicContact CG2-CD1 3.81Å; V17-H61 PolarHBondContact N-O 2.95Å; V17-L62 WeakPolarHBondContact O-CA 3.17Å; V17-A63 PolarHBondContact O-N 2.88Å
18F97.4Very high95.6Very high32 Ų3262.7 Ų62.714%0.1433%0.327CS..EExtended strand (participates in β ladder)trans-116.3120-177.2-171.4-116.2000112.7T20 T29 L39 V40 V41 L42 A63 W65F18-T20 HydrophobicContact CD1-CG2 3.97Å; F18-T20 HydrophobicContact CE1-CG2 3.92Å; F18-T29 HydrophobicContact CD1-CG2 3.32Å; F18-T29 HydrophobicContact CE1-CG2 3.7Å; F18-T29 HydrophobicContact CG-CG2 4.25Å; F18-L39 HydrophobicContact CB-CD1 4.07Å; F18-V40 PolarHBondContact N-O 2.97Å; F18-V41 HydrophobicContact CD1-CG1 4.16Å; F18-V41 CarbonylContact O-C 3.56Å; F18-V41 WeakPolarHBondContact O-CA 3.27Å; F18-L42 PolarHBondContact O-N 3.02Å; F18-A63 VanDerWaalsContact CA-O 3.29Å; F18-A63 WeakPolarHBondContact CA-O 3.5Å; F18-A63 HydrophobicContact CD2-CB 3.66Å; F18-A63 WeakPolarHBondContact CD2-O 3.33Å; F18-A63 HydrophobicContact CE2-CB 4.1Å; F18-W65 HydrophobicContact CE2-CB 4.49Å; F18-W65 HydrophobicContact CZ-CB 4.15Å
19F97.5Very high95.5Very high0 Ų060.4 Ų60.40%032%0.316CS..EExtended strand (participates in β ladder)trans-97.5112.1173.8-71.2-104.6000110.1V17 L42 Y45 V49 L62 A63 A64 W65 G68 A71 A72 W75V17-F19 HydrophobicContact CG1-CD2 4.19Å; V17-F19 HydrophobicContact CG1-CE2 3.61Å; V17-F19 HydrophobicContact CG1-CZ 4.42Å; F19-L42 HydrophobicContact CD1-CB 3.85Å; F19-L42 HydrophobicContact CD1-CD2 4.47Å; F19-L42 HydrophobicContact CD2-CD1 4.14Å; F19-L42 HydrophobicContact CE1-CB 4.02Å; F19-L42 HydrophobicContact CE1-CD1 4.27Å; F19-L42 HydrophobicContact CE1-CD2 3.77Å; F19-L42 HydrophobicContact CE1-CG 4.23Å; F19-L42 HydrophobicContact CE2-CD1 3.86Å; F19-L42 HydrophobicContact CG-CB 4.24Å; F19-L42 HydrophobicContact CG-CD1 4.47Å; F19-L42 HydrophobicContact CZ-CD1 3.92Å; F19-L42 HydrophobicContact CZ-CD2 3.83Å; F19-L42 HydrophobicContact CZ-CG 4.31Å; F19-Y45 VanDerWaalsContact C-OH 3.25Å; F19-Y45 WeakPolarHBondContact CA-OH 3.33Å; F19-Y45 WeakPolarHBondContact CB-OH 3.29Å; F19-Y45 AromaticContact CD1-CE1 3.99Å; F19-Y45 HydrophobicContact CD1-CE1 3.99Å; F19-V49 HydrophobicContact CE1-CG2 4.23Å; F19-L62 HydrophobicContact CD2-CD1 4.35Å; F19-L62 HydrophobicContact CD2-CG 4.42Å; F19-L62 HydrophobicContact CE2-CD1 3.89Å; F19-L62 HydrophobicContact CE2-CG 4.39Å; F19-A63 PolarHBondContact N-O 2.81Å; F19-A64 HydrophobicContact CB-CB 4.02Å; F19-A64 WeakPolarHBondContact O-CA 3.48Å; F19-W65 PolarHBondContact O-N 2.85Å; F19-G68 WeakPolarHBondContact CB-O 3.28Å; F19-A71 HydrophobicContact CD1-CB 4.06Å; F19-A72 HydrophobicContact CB-CB 4.35Å; F19-A72 HydrophobicContact CD1-CB 4.05Å; F19-A72 HydrophobicContact CD2-CB 3.71Å; F19-A72 HydrophobicContact CE1-CB 4.23Å; F19-A72 HydrophobicContact CE2-CB 3.9Å; F19-A72 HydrophobicContact CG-CB 3.79Å; F19-A72 HydrophobicContact CZ-CB 4.17Å; F19-W75 HydrophobicContact CE1-CB 4.1Å; F19-W75 HydrophobicContact CE1-CG 4.33Å; F19-W75 HydrophobicContact CE2-CE3 4.18Å; F19-W75 HydrophobicContact CZ-CB 4.04Å; F19-W75 AromaticContact CZ-CD2 3.78Å; F19-W75 HydrophobicContact CZ-CD2 3.78Å; F19-W75 AromaticContact CZ-CE3 3.72Å; F19-W75 HydrophobicContact CZ-CE3 3.72Å; F19-W75 AromaticContact CZ-CG 3.93Å; F19-W75 HydrophobicContact CZ-CG 3.93Å; F19-W75 HydrophobicContact CZ-CZ3 4.47Å
20T97.2Very high95.5Very high0 Ų060.5 Ų60.50%031%0.31CS..PPolyproline II helixtrans-73163-179.670.20000112.4F18 M24 V41 L42 Y43 Y45 G68F18-T20 HydrophobicContact CD1-CG2 3.97Å; F18-T20 HydrophobicContact CE1-CG2 3.92Å; T20-M24 PolarHBondContact OG1-O 2.58Å; T20-V41 HydrophobicContact CG2-CG1 3.44Å; T20-V41 VanDerWaalsContact CG2-CG1 3.44Å; T20-L42 PolarHBondContact N-O 3.48Å; T20-L42 PolarHBondContact OG1-O 3.12Å; T20-Y43 WeakPolarHBondContact OG1-CB 3.5Å; T20-Y45 PolarHBondContact N-OH 3.38Å; T20-Y45 WeakPolarHBondContact O-CE2 3.35Å; T20-Y45 PolarHBondContact O-OH 3.09Å; T20-G68 WeakPolarHBondContact O-CA 3.28Å; T20-G68 PolarHBondContact O-N 2.86Å
21G96.8Very high95.6Very high4 Ų459.4 Ų59.44%0.04131%0.312CS..PPolyproline II helixtrans-75.8171.4172.300000113.3G23 M24 W65G21-G23 PolarHBondContact O-N 3.47Å; G21-M24 WeakPolarHBondContact O-CB 3.46Å; G21-M24 PolarHBondContact O-N 2.74Å; G21-W65 VanDerWaalsContact CA-O 3.24Å; G21-W65 WeakPolarHBondContact CA-O 3.16Å; G21-W65 PolarHBondContact N-O 2.96Å
22W96.1Very high95.5Very high213 Ų21359 Ų5981%0.80729%0.292SS*.THydrogen-bonded Turntrans-55.8136.6177.6177.958000112.4M24 L67W22-M24 PolarHBondContact O-N 2.89Å; W22-L67 HydrophobicContact CB-CB 4.01Å; W22-L67 HydrophobicContact CB-CD2 3.64Å; W22-L67 HydrophobicContact CB-CG 4.47Å; W22-L67 HydrophobicContact CG-CD2 4.16Å
23G94.6Very high95.4Very high74 Ų7462.4 Ų62.476%0.76332%0.315SS*.THydrogen-bonded Turntrans74.34.6177.800000115.1G21G21-G23 PolarHBondContact O-N 3.47Å
24M94.7Very high95.2Very high86 Ų8658.7 Ų58.742%0.42430%0.295SS..  trans-101.9152.8176.8-60.6-63.6172.100111.1T20 G21 W22 Y43 W65T20-M24 PolarHBondContact OG1-O 2.58Å; G21-M24 WeakPolarHBondContact O-CB 3.46Å; G21-M24 PolarHBondContact O-N 2.74Å; W22-M24 PolarHBondContact O-N 2.89Å; M24-Y43 WeakPolarHBondContact O-CB 3.37Å; M24-W65 HydrophobicContact CE-CH2 3.92Å; M24-W65 HydrophobicContact CE-CZ3 4.35Å; M24-W65 HydrophobicContact CG-CH2 4.27Å; M24-W65 HydrophobicContact CG-CZ3 3.81Å; M24-W65 HydrophobicContact SD-CZ3 4.46Å
25D94.4Very high94.9Very high66 Ų6661 Ų6135%0.35331%0.313SS..  trans-116.9-170.1169.465.217.5000110.5H27 A28 Y43D25-H27 PolarHBondContact O-N 3.41Å; D25-H27 WeakPolarHBondContact OD1-CA 3.49Å; D25-H27 WeakPolarHBondContact OD1-CB 3.36Å; D25-H27 IonicContact OD1-CD2 3.33Å; D25-H27 PolarHBondContact OD1-CD2 2.92Å; D25-H27 VanDerWaalsContact OD1-CD2 3.31Å; D25-H27 IonicContact OD1-CG 3.31Å; D25-H27 PolarHBondContact OD1-N 3.48Å; D25-H27 IonicContact OD2-CD2 3.55Å; D25-H27 PolarHBondContact OD2-CD2 2.81Å; D25-A28 WeakPolarHBondContact O-CB 3.41Å; D25-A28 PolarHBondContact O-N 3.2Å; D25-Y43 HydrophobicContact CB-CD2 3.84Å; D25-Y43 HydrophobicContact CB-CE2 4Å; D25-Y43 HydrophobicContact CB-CG 4.37Å
26W95.1Very high94.7Very high54 Ų5462.9 Ų62.921%0.20533%0.332CS..G310 helixtrans-63-18.3178.670.6-94000114.5E6 A28 T29 R30 V41 Y43E6-W26 HydrophobicContact CB-CB 3.41Å; E6-W26 VanDerWaalsContact CB-CB 3.41Å; E6-W26 HydrophobicContact CB-CD2 4.35Å; E6-W26 HydrophobicContact CB-CG 3.67Å; E6-W26 HydrophobicContact CG-CB 3.73Å; E6-W26 HydrophobicContact CG-CD2 3.71Å; E6-W26 HydrophobicContact CG-CE3 4.05Å; E6-W26 HydrophobicContact CG-CG 3.57Å; W26-A28 PolarHBondContact O-N 2.98Å; W26-A28 VanDerWaalsContact O-N 3.1Å; W26-T29 PolarHBondContact O-N 3.48Å; W26-T29 PolarHBondContact O-OG1 3.37Å; W26-R30 HydrophobicContact CE3-CG 4.11Å; W26-R30 VanDerWaalsContact CH2-NE 3.29Å; W26-R30 HydrophobicContact CZ3-CG 3.74Å; W26-V41 HydrophobicContact CB-CB 4.19Å; W26-V41 HydrophobicContact CB-CG1 4.22Å; W26-Y43 HydrophobicContact CB-CD1 4.2Å; W26-Y43 HydrophobicContact CB-CE1 3.88Å; W26-Y43 AromaticContact CD1-CZ 3.88Å; W26-Y43 HydrophobicContact CG-CE1 4.38Å
27H94.9Very high94.7Very high84 Ų8462.7 Ų62.739%0.38933%0.33SS..G310 helixtrans-61.9-23.9179.2-69.7-113.8000111.8D25 T29 R30D25-H27 PolarHBondContact O-N 3.41Å; D25-H27 WeakPolarHBondContact OD1-CA 3.49Å; D25-H27 WeakPolarHBondContact OD1-CB 3.36Å; D25-H27 IonicContact OD1-CD2 3.33Å; D25-H27 PolarHBondContact OD1-CD2 2.92Å; D25-H27 VanDerWaalsContact OD1-CD2 3.31Å; D25-H27 IonicContact OD1-CG 3.31Å; D25-H27 PolarHBondContact OD1-N 3.48Å; D25-H27 IonicContact OD2-CD2 3.55Å; D25-H27 PolarHBondContact OD2-CD2 2.81Å; H27-T29 PolarHBondContact O-N 3.27Å; H27-T29 VanDerWaalsContact O-N 3.14Å; H27-R30 PolarHBondContact CE1-NH2 3.18Å; H27-R30 PolarHBondContact ND1-NE 3.25Å; H27-R30 VanDerWaalsContact ND1-NE 3.14Å; H27-R30 PolarHBondContact ND1-NH2 3.09Å; H27-R30 WeakPolarHBondContact O-CB 3.25Å; H27-R30 PolarHBondContact O-N 3Å
28A92.7Very high94.7Very high30 Ų3062.8 Ų62.825%0.24833%0.331CS..G310 helixtrans-58-21.5173.800000113.4D25 W26 H31D25-A28 WeakPolarHBondContact O-CB 3.41Å; D25-A28 PolarHBondContact O-N 3.2Å; W26-A28 PolarHBondContact O-N 2.98Å; W26-A28 VanDerWaalsContact O-N 3.1Å; A28-H31 PolarHBondContact O-CE1 3.04Å; A28-H31 PolarHBondContact O-ND1 3.27Å; A28-H31 VanDerWaalsContact O-ND1 3.16Å
29T93.9Very high94.7Very high3 Ų361.3 Ų61.32%0.01832%0.324CS..G310 helixtrans-100.2-2.9-178.964.50000114.4F18 W26 H27 H31 L32 L39 V41F18-T29 HydrophobicContact CD1-CG2 3.32Å; F18-T29 HydrophobicContact CE1-CG2 3.7Å; F18-T29 HydrophobicContact CG-CG2 4.25Å; W26-T29 PolarHBondContact O-N 3.48Å; W26-T29 PolarHBondContact O-OG1 3.37Å; H27-T29 PolarHBondContact O-N 3.27Å; H27-T29 VanDerWaalsContact O-N 3.14Å; T29-H31 PolarHBondContact O-N 2.95Å; T29-L32 HydrophobicContact CG2-CD1 3.92Å; T29-L32 WeakPolarHBondContact O-CB 3.44Å; T29-L32 WeakPolarHBondContact O-CG 3.49Å; T29-L32 PolarHBondContact O-N 3.48Å; T29-L39 HydrophobicContact CG2-CD2 4.36Å; T29-V41 HydrophobicContact CG2-CG1 4.07Å; T29-V41 HydrophobicContact CG2-CG2 3.76Å
30R93Very high94.6Very high154 Ų15461.5 Ų61.558%0.58133%0.326SS*.THydrogen-bonded Turntrans-58.6-24-174.4-77.8179.3171.2-154.5-1.6115W26 H27W26-R30 HydrophobicContact CE3-CG 4.11Å; W26-R30 VanDerWaalsContact CH2-NE 3.29Å; W26-R30 HydrophobicContact CZ3-CG 3.74Å; H27-R30 PolarHBondContact CE1-NH2 3.18Å; H27-R30 PolarHBondContact ND1-NE 3.25Å; H27-R30 VanDerWaalsContact ND1-NE 3.14Å; H27-R30 PolarHBondContact ND1-NH2 3.09Å; H27-R30 WeakPolarHBondContact O-CB 3.25Å; H27-R30 PolarHBondContact O-N 3Å
31H93.2Very high94.6Very high152 Ų15261.6 Ų61.670%0.70433%0.326SS*.THydrogen-bonded Turntrans-92.5-4.3-178.665.8-85.8000113.1A28 T29A28-H31 PolarHBondContact O-CE1 3.04Å; A28-H31 PolarHBondContact O-ND1 3.27Å; A28-H31 VanDerWaalsContact O-ND1 3.16Å; T29-H31 PolarHBondContact O-N 2.95Å
32L92.1Very high94.6Very high68 Ų6861.7 Ų61.736%0.35633%0.326SS..  trans-71.2132.5-179.5-62-178.1000110.4T29 L34T29-L32 HydrophobicContact CG2-CD1 3.92Å; T29-L32 WeakPolarHBondContact O-CB 3.44Å; T29-L32 WeakPolarHBondContact O-CG 3.49Å; T29-L32 PolarHBondContact O-N 3.48Å; L32-L34 HydrophobicContact CB-CD2 4.18Å
33S92.8Very high94.6Very high93 Ų9353.8 Ų53.865%0.6530%0.296SS*.  trans-77.1122.3158.5-1640000107.8D35S33-D35 WeakPolarHBondContact CB-OD1 3.26Å; S33-D35 PolarHBondContact OG-OD1 3.1Å
34L93.3Very high94.6Very high13 Ų1353.3 Ų53.37%0.06828%0.276CS..  trans-89.3-2.2-177.4-62.5179.8000113.2I8 L32 G36 F37 L39I8-L34 HydrophobicContact CB-CD1 4.31Å; I8-L34 HydrophobicContact CD1-CD1 4.35Å; I8-L34 HydrophobicContact CG2-CD1 4.06Å; L32-L34 HydrophobicContact CB-CD2 4.18Å; L34-G36 CarbonylContact O-C 3.5Å; L34-G36 PolarHBondContact O-N 2.8Å; L34-F37 VanDerWaalsContact O-CB 3.26Å; L34-F37 WeakPolarHBondContact O-CB 3.33Å; L34-F37 VanDerWaalsContact O-CD2 3.25Å; L34-F37 WeakPolarHBondContact O-CD2 3.49Å; L34-F37 PolarHBondContact O-N 2.96Å; L34-L39 HydrophobicContact CD1-CB 3.77Å; L34-L39 HydrophobicContact CD1-CD2 4.43Å; L34-L39 HydrophobicContact CD2-CB 4.01Å; L34-L39 HydrophobicContact CD2-CD1 4.27Å; L34-L39 HydrophobicContact CD2-CD2 4.09Å; L34-L39 HydrophobicContact CD2-CG 4.35Å
35D89.7Confident94.6Very high120 Ų12051.1 Ų51.164%0.64226%0.263SS*.THydrogen-bonded Turntrans36.146.5169.1-61.9-11.2000116R14 S33R14-D35 PolarHBondContact NH2-O 2.82Å; S33-D35 WeakPolarHBondContact CB-OD1 3.26Å; S33-D35 PolarHBondContact OG-OD1 3.1Å
36G94.1Very high94.5Very high39 Ų3952.9 Ų52.940%0.40228%0.277SS..THydrogen-bonded Turntrans77.938.5-178.400000114.2S12 R14 L34S12-G36 VanDerWaalsContact OG-C 3.31Å; S12-G36 PolarHBondContact OG-O 2.81Å; R14-G36 PolarHBondContact NE-O 3.05Å; R14-G36 PolarHBondContact NH2-O 2.74Å; L34-G36 CarbonylContact O-C 3.5Å; L34-G36 PolarHBondContact O-N 2.8Å
37F97.6Very high94.3Very high28 Ų2856 Ų5612%0.12329%0.293CS..  trans-118.8144.2168.2-72.7-93000110R14 L16 L34 H61R14-F37 HydrophobicContact CB-CD1 3.51Å; R14-F37 HydrophobicContact CB-CE1 3.51Å; R14-F37 HydrophobicContact CB-CG 4.26Å; R14-F37 HydrophobicContact CB-CZ 4.26Å; R14-F37 HydrophobicContact CG-CE1 4.47Å; R14-F37 CarbonylContact O-C 3.59Å; R14-F37 WeakPolarHBondContact O-CA 3.33Å; L16-F37 HydrophobicContact CB-CB 4.21Å; L16-F37 HydrophobicContact CB-CD1 4.15Å; L16-F37 HydrophobicContact CB-CG 4.35Å; L34-F37 VanDerWaalsContact O-CB 3.26Å; L34-F37 WeakPolarHBondContact O-CB 3.33Å; L34-F37 VanDerWaalsContact O-CD2 3.25Å; L34-F37 WeakPolarHBondContact O-CD2 3.49Å; L34-F37 PolarHBondContact O-N 2.96Å; F37-H61 HydrophobicContact CE1-CB 4.15Å; F37-H61 AromaticContact CE1-CD2 3.37Å; F37-H61 WeakPolarHBondContact CE1-CD2 3.2Å; F37-H61 AromaticContact CE1-CG 3.69Å; F37-H61 AromaticContact CE1-NE2 3.74Å; F37-H61 AromaticContact CZ-CD2 3.73Å; F37-H61 AromaticContact CZ-CE1 3.81Å; F37-H61 AromaticContact CZ-CG 3.92Å; F37-H61 AromaticContact CZ-ND1 3.99Å; F37-H61 AromaticContact CZ-NE2 3.65Å
38D97.3Very high94.1Very high6 Ų657.5 Ų57.53%0.03231%0.31CS..EExtended strand (participates in β ladder)trans-75.1153.5151.8-70.1-4.2000108.2I8 R10 G11 S12 R14 L15 L16 Y57I8-D38 WeakPolarHBondContact O-CA 3.41Å; R10-D38 WeakPolarHBondContact CA-OD1 3.47Å; R10-D38 PolarHBondContact N-OD1 2.77Å; G11-D38 PolarHBondContact N-OD1 3Å; S12-D38 WeakPolarHBondContact CB-OD1 3.37Å; S12-D38 PolarHBondContact N-OD1 3.05Å; S12-D38 VanDerWaalsContact N-OD1 3.12Å; R14-D38 PolarHBondContact O-N 3.38Å; L15-D38 HydrophobicContact CD1-CB 4.07Å; L16-D38 PolarHBondContact N-O 2.89Å; D38-Y57 HydrophobicContact CB-CE1 3.84Å; D38-Y57 VanDerWaalsContact OD2-CE1 3.32Å; D38-Y57 WeakPolarHBondContact OD2-CE1 3.35Å; D38-Y57 PolarHBondContact OD2-OH 3.2Å
39L97.2Very high94.2Very high0 Ų058 Ų580%031%0.31CS..EExtended strand (participates in β ladder)trans-123.9134.1-178.4177.473.4000110.4T7 I8 L16 F18 T29 L34 V41T7-L39 CarbonylContact C-O 3.59Å; T7-L39 VanDerWaalsContact CA-O 3.28Å; T7-L39 WeakPolarHBondContact CA-O 3.16Å; I8-L39 HydrophobicContact CB-CB 4.2Å; I8-L39 HydrophobicContact CD1-CD2 3.98Å; I8-L39 HydrophobicContact CG1-CD2 4.48Å; I8-L39 PolarHBondContact N-O 3.12Å; I8-L39 PolarHBondContact O-N 2.95Å; L16-L39 HydrophobicContact CB-CD1 4.09Å; L16-L39 HydrophobicContact CD2-CD1 3.82Å; L16-L39 HydrophobicContact CG-CD1 3.79Å; L16-L39 WeakPolarHBondContact O-CA 3.19Å; F18-L39 HydrophobicContact CB-CD1 4.07Å; T29-L39 HydrophobicContact CG2-CD2 4.36Å; L34-L39 HydrophobicContact CD1-CB 3.77Å; L34-L39 HydrophobicContact CD1-CD2 4.43Å; L34-L39 HydrophobicContact CD2-CB 4.01Å; L34-L39 HydrophobicContact CD2-CD1 4.27Å; L34-L39 HydrophobicContact CD2-CD2 4.09Å; L34-L39 HydrophobicContact CD2-CG 4.35Å; L39-V41 HydrophobicContact CD1-CG2 4.15Å; L39-V41 HydrophobicContact CD2-CG2 3.44Å; L39-V41 VanDerWaalsContact CD2-CG2 3.44Å; L39-V41 HydrophobicContact CG-CG2 3.66Å
40V97.1Very high94Very high5 Ų566.7 Ų66.73%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-117.6126.9163.4171.90000108.1P5 E6 T7 L15 L16 F18 L42 W51P5-V40 HydrophobicContact CB-CG1 3.61Å; P5-V40 HydrophobicContact CG-CG1 3.81Å; E6-V40 CarbonylContact O-C 3.59Å; E6-V40 WeakPolarHBondContact O-CA 3.46Å; T7-V40 HydrophobicContact CG2-CG2 3.95Å; L15-V40 HydrophobicContact CD1-CB 4.42Å; L15-V40 HydrophobicContact CD1-CG2 3.83Å; L16-V40 PolarHBondContact O-N 2.81Å; F18-V40 PolarHBondContact N-O 2.97Å; V40-L42 HydrophobicContact CG1-CD1 3.96Å; V40-L42 HydrophobicContact CG1-CG 4.48Å; V40-W51 HydrophobicContact CB-CH2 4.32Å; V40-W51 HydrophobicContact CB-CZ2 4.14Å; V40-W51 HydrophobicContact CG1-CH2 3.97Å; V40-W51 HydrophobicContact CG1-CZ2 3.64Å; V40-W51 HydrophobicContact CG2-CH2 4.38Å; V40-W51 HydrophobicContact CG2-CZ2 3.86Å
41V97.2Very high94Very high1 Ų161.7 Ų61.71%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-112.1118.9178.6-169.20000110.1P5 E6 F18 T20 W26 T29 L39 Y43P5-V41 VanDerWaalsContact CA-O 3.28Å; P5-V41 WeakPolarHBondContact CA-O 3.5Å; P5-V41 WeakPolarHBondContact CB-O 3.31Å; E6-V41 HydrophobicContact CB-CB 4.42Å; E6-V41 PolarHBondContact N-O 2.72Å; E6-V41 VanDerWaalsContact N-O 3.09Å; E6-V41 PolarHBondContact O-N 2.86Å; F18-V41 HydrophobicContact CD1-CG1 4.16Å; F18-V41 CarbonylContact O-C 3.56Å; F18-V41 WeakPolarHBondContact O-CA 3.27Å; T20-V41 HydrophobicContact CG2-CG1 3.44Å; T20-V41 VanDerWaalsContact CG2-CG1 3.44Å; W26-V41 HydrophobicContact CB-CB 4.19Å; W26-V41 HydrophobicContact CB-CG1 4.22Å; T29-V41 HydrophobicContact CG2-CG1 4.07Å; T29-V41 HydrophobicContact CG2-CG2 3.76Å; L39-V41 HydrophobicContact CD1-CG2 4.15Å; L39-V41 HydrophobicContact CD2-CG2 3.44Å; L39-V41 VanDerWaalsContact CD2-CG2 3.44Å; L39-V41 HydrophobicContact CG-CG2 3.66Å; V41-Y43 HydrophobicContact CG1-CD1 4.3Å; V41-Y43 WeakPolarHBondContact O-CD1 3.4Å
42L96.9Very high94Very high7 Ų759 Ų594%0.03733%0.33CS..EExtended strand (participates in β ladder)trans-98.6129.3174-59.697.1000109P5 V17 F18 F19 T20 V40 Y45 V49 W51P5-L42 HydrophobicContact CB-CG 4.18Å; V17-L42 HydrophobicContact CG1-CD1 3.29Å; F18-L42 PolarHBondContact O-N 3.02Å; F19-L42 HydrophobicContact CD1-CB 3.85Å; F19-L42 HydrophobicContact CD1-CD2 4.47Å; F19-L42 HydrophobicContact CD2-CD1 4.14Å; F19-L42 HydrophobicContact CE1-CB 4.02Å; F19-L42 HydrophobicContact CE1-CD1 4.27Å; F19-L42 HydrophobicContact CE1-CD2 3.77Å; F19-L42 HydrophobicContact CE1-CG 4.23Å; F19-L42 HydrophobicContact CE2-CD1 3.86Å; F19-L42 HydrophobicContact CG-CB 4.24Å; F19-L42 HydrophobicContact CG-CD1 4.47Å; F19-L42 HydrophobicContact CZ-CD1 3.92Å; F19-L42 HydrophobicContact CZ-CD2 3.83Å; F19-L42 HydrophobicContact CZ-CG 4.31Å; T20-L42 PolarHBondContact N-O 3.48Å; T20-L42 PolarHBondContact OG1-O 3.12Å; V40-L42 HydrophobicContact CG1-CD1 3.96Å; V40-L42 HydrophobicContact CG1-CG 4.48Å; L42-Y45 HydrophobicContact CB-CE1 4.35Å; L42-Y45 PolarHBondContact O-OH 3.04Å; L42-Y45 VanDerWaalsContact O-OH 3.05Å; L42-V49 HydrophobicContact CD2-CG1 3.31Å; L42-V49 HydrophobicContact CD2-CG2 4.47Å; L42-W51 HydrophobicContact CD2-CB 4.31Å; L42-W51 HydrophobicContact CD2-CD2 4.49Å; L42-W51 HydrophobicContact CD2-CE3 4.13Å
43Y95.5Very high94.1Very high46 Ų4658.9 Ų58.918%0.1833%0.329CS..  trans-152.6173.8-178.462.3-84.9000108.8E6 T20 M24 D25 W26 V41E6-Y43 HydrophobicContact CB-CE1 4Å; T20-Y43 WeakPolarHBondContact OG1-CB 3.5Å; M24-Y43 WeakPolarHBondContact O-CB 3.37Å; D25-Y43 HydrophobicContact CB-CD2 3.84Å; D25-Y43 HydrophobicContact CB-CE2 4Å; D25-Y43 HydrophobicContact CB-CG 4.37Å; W26-Y43 HydrophobicContact CB-CD1 4.2Å; W26-Y43 HydrophobicContact CB-CE1 3.88Å; W26-Y43 AromaticContact CD1-CZ 3.88Å; W26-Y43 HydrophobicContact CG-CE1 4.38Å; V41-Y43 HydrophobicContact CG1-CD1 4.3Å; V41-Y43 WeakPolarHBondContact O-CD1 3.4Å
44D94.5Very high94.1Very high65 Ų6556.7 Ų56.735%0.34831%0.313SS..  trans52.974.3-176.2-173.311.7000113.9H3 T46H3-D44 IonicContact CD2-OD2 3Å; H3-D44 PolarHBondContact CD2-OD2 3.3Å; H3-D44 IonicContact CG-OD2 3.74Å; H3-D44 IonicContact NE2-OD2 3.53Å; D44-T46 PolarHBondContact O-N 2.87Å; D44-T46 VanDerWaalsContact O-N 3.1Å; D44-T46 VanDerWaalsContact OD1-CB 3.27Å; D44-T46 WeakPolarHBondContact OD1-CB 3.47Å; D44-T46 PolarHBondContact OD1-N 2.95Å; D44-T46 PolarHBondContact OD1-OG1 2.93Å
45Y93.6Very high94.1Very high40 Ų4062 Ų6216%0.15735%0.35CS..THydrogen-bonded Turntrans-8230.7176.7-41-63.6000113.3F19 T20 L42 H47 V49 L67 A71F19-Y45 VanDerWaalsContact C-OH 3.25Å; F19-Y45 WeakPolarHBondContact CA-OH 3.33Å; F19-Y45 WeakPolarHBondContact CB-OH 3.29Å; F19-Y45 AromaticContact CD1-CE1 3.99Å; F19-Y45 HydrophobicContact CD1-CE1 3.99Å; T20-Y45 PolarHBondContact N-OH 3.38Å; T20-Y45 WeakPolarHBondContact O-CE2 3.35Å; T20-Y45 PolarHBondContact O-OH 3.09Å; L42-Y45 HydrophobicContact CB-CE1 4.35Å; L42-Y45 PolarHBondContact O-OH 3.04Å; L42-Y45 VanDerWaalsContact O-OH 3.05Å; Y45-H47 CarbonylContact C-O 3.35Å; Y45-H47 PolarHBondContact O-N 3.27Å; Y45-V49 HydrophobicContact CD1-CG2 3.8Å; Y45-V49 HydrophobicContact CE1-CG2 4.14Å; Y45-L67 HydrophobicContact CD2-CD2 4Å; Y45-L67 HydrophobicContact CD2-CG 4.24Å; Y45-A71 HydrophobicContact CD1-CB 3.62Å; Y45-A71 HydrophobicContact CD2-CB 3.93Å; Y45-A71 HydrophobicContact CE1-CB 3.53Å; Y45-A71 HydrophobicContact CE2-CB 3.85Å; Y45-A71 HydrophobicContact CG-CB 3.8Å
46T93.4Very high94.4Very high103 Ų10359.9 Ų59.963%0.63236%0.356SS*.THydrogen-bonded Turntrans-58.1-26.7173.2-62.10000111.5D44D44-T46 PolarHBondContact O-N 2.87Å; D44-T46 VanDerWaalsContact O-N 3.1Å; D44-T46 VanDerWaalsContact OD1-CB 3.27Å; D44-T46 WeakPolarHBondContact OD1-CB 3.47Å; D44-T46 PolarHBondContact OD1-N 2.95Å; D44-T46 PolarHBondContact OD1-OG1 2.93Å
47H91.5Very high94.6Very high120 Ų12060.2 Ų60.256%0.55635%0.345SS*.SBendtrans-125.5157.8169.3-60.3-51.8000110.2Y45Y45-H47 CarbonylContact C-O 3.35Å; Y45-H47 PolarHBondContact O-N 3.27Å
48P90.6Very high94.5Very high114 Ų11462.4 Ų62.474%0.7436%0.364SS*.  trans-52.5146171.8-26.135.1000111.6Q50P48-Q50 PolarHBondContact O-N 2.83Å; P48-Q50 VanDerWaalsContact O-N 3.11Å
49V93.1Very high94.5Very high40 Ų4066.3 Ų66.324%0.24238%0.382CS..  trans-69110.5-178.7175.70000109.9F19 L42 Y45 W51 W75F19-V49 HydrophobicContact CE1-CG2 4.23Å; L42-V49 HydrophobicContact CD2-CG1 3.31Å; L42-V49 HydrophobicContact CD2-CG2 4.47Å; Y45-V49 HydrophobicContact CD1-CG2 3.8Å; Y45-V49 HydrophobicContact CE1-CG2 4.14Å; V49-W51 HydrophobicContact CG1-CB 4.14Å; V49-W75 HydrophobicContact CB-CB 4.27Å; V49-W75 HydrophobicContact CB-CG 4.35Å; V49-W75 HydrophobicContact CG1-CB 4.43Å; V49-W75 HydrophobicContact CG1-CG 4.02Å
50Q89.9Confident94.5Very high187 Ų18770.7 Ų70.787%0.87440%0.399SS*.  trans-105.355177.5-61.1-171.6-59.900111.1P48P48-Q50 PolarHBondContact O-N 2.83Å; P48-Q50 VanDerWaalsContact O-N 3.11Å
51W93.2Very high94.5Very high49 Ų4974.3 Ų74.319%0.18642%0.416CS..  trans-121.6140.6177.3176.580000110.3P5 L15 V17 V40 L42 V49 L53 P54 W75P5-W51 VanDerWaalsContact CG-CD1 3.44Å; P5-W51 HydrophobicContact CG-CD2 4.43Å; P5-W51 HydrophobicContact CG-CG 3.94Å; L15-W51 HydrophobicContact CD2-CH2 4.4Å; V17-W51 HydrophobicContact CG1-CH2 4.37Å; V17-W51 HydrophobicContact CG1-CZ3 4.02Å; V17-W51 HydrophobicContact CG2-CH2 3.97Å; V17-W51 HydrophobicContact CG2-CZ3 4.24Å; V40-W51 HydrophobicContact CB-CH2 4.32Å; V40-W51 HydrophobicContact CB-CZ2 4.14Å; V40-W51 HydrophobicContact CG1-CH2 3.97Å; V40-W51 HydrophobicContact CG1-CZ2 3.64Å; V40-W51 HydrophobicContact CG2-CH2 4.38Å; V40-W51 HydrophobicContact CG2-CZ2 3.86Å; L42-W51 HydrophobicContact CD2-CB 4.31Å; L42-W51 HydrophobicContact CD2-CD2 4.49Å; L42-W51 HydrophobicContact CD2-CE3 4.13Å; V49-W51 HydrophobicContact CG1-CB 4.14Å; W51-L53 HydrophobicContact CH2-CD1 3.71Å; W51-L53 HydrophobicContact CZ3-CB 4.48Å; W51-L53 HydrophobicContact CZ3-CD1 3.9Å; W51-P54 HydrophobicContact CZ2-CG 4.17Å; W51-W75 AromaticContact CE3-CZ2 3.67Å; W51-W75 HydrophobicContact CE3-CZ2 3.67Å; W51-W75 HydrophobicContact CZ3-CH2 4.06Å; W51-W75 AromaticContact CZ3-CZ2 3.61Å; W51-W75 HydrophobicContact CZ3-CZ2 3.61Å; W51-W75 PolarHBondContact O-NE1 3.47Å
52S93.3Very high94.5Very high95 Ų9578.6 Ų78.666%0.66444%0.438SS*.  trans-105.9137.417856.80000110.7P54S52-P54 WeakPolarHBondContact O-CD 3.48Å
53L93.8Very high94.5Very high66 Ų6680 Ų8035%0.34645%0.451SS..PPolyproline II helixtrans-60.2121.2175.4-166.568.4000110.3L15 V17 W51 Y60 W75L15-L53 HydrophobicContact CD2-CD1 4.05Å; V17-L53 HydrophobicContact CG2-CD1 3.81Å; W51-L53 HydrophobicContact CH2-CD1 3.71Å; W51-L53 HydrophobicContact CZ3-CB 4.48Å; W51-L53 HydrophobicContact CZ3-CD1 3.9Å; L53-Y60 HydrophobicContact CD1-CD1 3.59Å; L53-Y60 HydrophobicContact CD1-CE1 3.81Å; L53-Y60 HydrophobicContact CD2-CD1 3.65Å; L53-Y60 HydrophobicContact CD2-CE1 3.73Å; L53-Y60 HydrophobicContact CD2-CG 4.03Å; L53-Y60 HydrophobicContact CG-CD1 3.74Å; L53-Y60 HydrophobicContact CG-CE1 3.55Å; L53-W75 HydrophobicContact CB-CH2 4.28Å; L53-W75 HydrophobicContact CB-CZ2 4.28Å; L53-W75 HydrophobicContact CD1-CH2 4.22Å
54P93.8Very high94.7Very high47 Ų4779.5 Ų79.531%0.30546%0.457SS..PPolyproline II helixtrans-67.9139.3179.227.6-36000110.4L15 W51 S52 Y57 Y60L15-P54 HydrophobicContact CD2-CG 3.66Å; W51-P54 HydrophobicContact CZ2-CG 4.17Å; S52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-Y57 HydrophobicContact CB-CE2 4.25Å; P54-Y57 HydrophobicContact CG-CD2 4.18Å; P54-Y57 HydrophobicContact CG-CE2 3.74Å; P54-Y60 VanDerWaalsContact O-CE1 3.31Å; P54-Y60 WeakPolarHBondContact O-CE1 3.24Å; P54-Y60 PolarHBondContact O-OH 3.45Å
55C93.7Very high94.8Very high125 Ų12582.5 Ų82.585%0.84546%0.463SS*.SBendtrans-78.6156.8173.2-56.30000111.4Y60C55-Y60 WeakPolarHBondContact CA-OH 3.33Å
56G95.3Very high95Very high75 Ų7584.5 Ų84.577%0.77348%0.483SS*.  trans111.6-11.4169.500000115.2
57Y97.3Very high95.1Very high45 Ų4582.6 Ų82.618%0.17647%0.468CS..  trans-78.2141.6170.4-63.7-83.9000110.4S12 D13 R14 L15 D38 P54 Y60S12-Y57 WeakPolarHBondContact O-CE1 3.43Å; D13-Y57 CarbonylContact O-C 3.52Å; D13-Y57 WeakPolarHBondContact O-CA 3.48Å; D13-Y57 WeakPolarHBondContact O-CB 3.49Å; D13-Y57 WeakPolarHBondContact O-CD1 3.21Å; R14-Y57 VanDerWaalsContact C-CD1 3.49Å; L15-Y57 HydrophobicContact CB-CD1 3.74Å; L15-Y57 HydrophobicContact CB-CD2 3.79Å; L15-Y57 HydrophobicContact CB-CE1 4Å; L15-Y57 HydrophobicContact CB-CE2 4.05Å; L15-Y57 HydrophobicContact CB-CG 3.63Å; L15-Y57 HydrophobicContact CD1-CE2 4.32Å; L15-Y57 HydrophobicContact CD2-CD2 3.98Å; L15-Y57 HydrophobicContact CD2-CE2 3.93Å; L15-Y57 HydrophobicContact CG-CD2 4.41Å; L15-Y57 HydrophobicContact CG-CE2 4.33Å; D38-Y57 HydrophobicContact CB-CE1 3.84Å; D38-Y57 VanDerWaalsContact OD2-CE1 3.32Å; D38-Y57 WeakPolarHBondContact OD2-CE1 3.35Å; D38-Y57 PolarHBondContact OD2-OH 3.2Å; P54-Y57 HydrophobicContact CB-CE2 4.25Å; P54-Y57 HydrophobicContact CG-CD2 4.18Å; P54-Y57 HydrophobicContact CG-CE2 3.74Å; Y57-Y60 AromaticContact CD2-CE1 3.95Å; Y57-Y60 HydrophobicContact CD2-CE1 3.95Å; Y57-Y60 HydrophobicContact CG-CE1 4.28Å
58S97.2Very high95.4Very high74 Ų7476.9 Ų76.952%0.51744%0.442SS..SBendtrans-73.5-3117463.50000112.1D13D13-S58 VanDerWaalsContact CG-OG 3.23Å; D13-S58 PolarHBondContact O-N 2.59Å; D13-S58 PolarHBondContact O-OG 2.71Å; D13-S58 VanDerWaalsContact O-OG 3.05Å; D13-S58 PolarHBondContact OD2-OG 3.47Å
59E97.1Very high95.7Very high88 Ų8875.4 Ų75.441%0.41143%0.431SS..EExtended strand (participates in β ladder)trans-138.1146.7177.3-58.6-179.7-17000112.4R14 L15 H61R14-E59 HydrophobicContact CB-CB 4.31Å; R14-E59 HydrophobicContact CG-CB 3.93Å; R14-E59 HydrophobicContact CG-CG 4.21Å; L15-E59 PolarHBondContact N-O 2.74Å; E59-H61 IonicContact OE2-CD2 3.88Å; E59-H61 IonicContact OE2-CE1 3.92Å; E59-H61 IonicContact OE2-NE2 2.95Å; E59-H61 PolarHBondContact OE2-NE2 3.1Å
60Y97.1Very high95.9Very high92 Ų9280.4 Ų80.436%0.36145%0.445SS..EExtended strand (participates in β ladder)trans-125122.2174.8-62.3-89.7000109.6L15 L53 P54 C55 Y57L15-Y60 HydrophobicContact CB-CD1 4.05Å; L15-Y60 HydrophobicContact CB-CE1 4.36Å; L15-Y60 HydrophobicContact CD2-CD1 3.93Å; L15-Y60 HydrophobicContact CD2-CE1 3.94Å; L15-Y60 HydrophobicContact CG-CD1 4.45Å; L15-Y60 WeakPolarHBondContact O-CA 3.32Å; L53-Y60 HydrophobicContact CD1-CD1 3.59Å; L53-Y60 HydrophobicContact CD1-CE1 3.81Å; L53-Y60 HydrophobicContact CD2-CD1 3.65Å; L53-Y60 HydrophobicContact CD2-CE1 3.73Å; L53-Y60 HydrophobicContact CD2-CG 4.03Å; L53-Y60 HydrophobicContact CG-CD1 3.74Å; L53-Y60 HydrophobicContact CG-CE1 3.55Å; P54-Y60 VanDerWaalsContact O-CE1 3.31Å; P54-Y60 WeakPolarHBondContact O-CE1 3.24Å; P54-Y60 PolarHBondContact O-OH 3.45Å; C55-Y60 WeakPolarHBondContact CA-OH 3.33Å; Y57-Y60 AromaticContact CD2-CE1 3.95Å; Y57-Y60 HydrophobicContact CD2-CE1 3.95Å; Y57-Y60 HydrophobicContact CG-CE1 4.28Å
61H97.1Very high96.3Very high82 Ų8271.7 Ų71.738%0.3841%0.405SS..EExtended strand (participates in β ladder)trans-113.3135.2176.1-70.1-124.9000108.2L15 L16 V17 F37 E59L15-H61 PolarHBondContact O-N 3.11Å; L16-H61 CarbonylContact C-O 3.51Å; L16-H61 WeakPolarHBondContact CA-O 3.32Å; L16-H61 HydrophobicContact CD1-CB 4.01Å; V17-H61 PolarHBondContact N-O 2.95Å; F37-H61 HydrophobicContact CE1-CB 4.15Å; F37-H61 AromaticContact CE1-CD2 3.37Å; F37-H61 WeakPolarHBondContact CE1-CD2 3.2Å; F37-H61 AromaticContact CE1-CG 3.69Å; F37-H61 AromaticContact CE1-NE2 3.74Å; F37-H61 AromaticContact CZ-CD2 3.73Å; F37-H61 AromaticContact CZ-CE1 3.81Å; F37-H61 AromaticContact CZ-CG 3.92Å; F37-H61 AromaticContact CZ-ND1 3.99Å; F37-H61 AromaticContact CZ-NE2 3.65Å; E59-H61 IonicContact OE2-CD2 3.88Å; E59-H61 IonicContact OE2-CE1 3.92Å; E59-H61 IonicContact OE2-NE2 2.95Å; E59-H61 PolarHBondContact OE2-NE2 3.1Å
62L97.3Very high96.5Very high90 Ų9069.6 Ų69.647%0.47140%0.399SS..EExtended strand (participates in β ladder)trans-115.5127.5175.7-175149.7000109V17 F19 A64 A72 W75V17-L62 WeakPolarHBondContact O-CA 3.17Å; F19-L62 HydrophobicContact CD2-CD1 4.35Å; F19-L62 HydrophobicContact CD2-CG 4.42Å; F19-L62 HydrophobicContact CE2-CD1 3.89Å; F19-L62 HydrophobicContact CE2-CG 4.39Å; L62-A64 HydrophobicContact CD2-CB 4.19Å; L62-A72 HydrophobicContact CD1-CB 4.33Å; L62-A72 HydrophobicContact CD2-CB 4.21Å; L62-W75 HydrophobicContact CD1-CZ3 4.21Å
63A97.2Very high96.6Very high38 Ų3867.5 Ų67.531%0.31439%0.387SS..EExtended strand (participates in β ladder)trans-124.5143.8168.300000109.2L16 V17 F18 F19L16-A63 HydrophobicContact CD1-CB 4.11Å; V17-A63 PolarHBondContact O-N 2.88Å; F18-A63 VanDerWaalsContact CA-O 3.29Å; F18-A63 WeakPolarHBondContact CA-O 3.5Å; F18-A63 HydrophobicContact CD2-CB 3.66Å; F18-A63 WeakPolarHBondContact CD2-O 3.33Å; F18-A63 HydrophobicContact CE2-CB 4.1Å; F19-A63 PolarHBondContact N-O 2.81Å
64A97.6Very high96.7Very high35 Ų3568.8 Ų68.829%0.28939%0.391SS..EExtended strand (participates in β ladder)trans-145.9144.4-176.600000110F19 L62 V69 A72F19-A64 HydrophobicContact CB-CB 4.02Å; F19-A64 WeakPolarHBondContact O-CA 3.48Å; L62-A64 HydrophobicContact CD2-CB 4.19Å; A64-V69 HydrophobicContact CB-CB 4.43Å; A64-V69 HydrophobicContact CB-CG2 3.91Å; A64-A72 HydrophobicContact CB-CB 4.18Å
65W97.5Very high96.8Very high127 Ų12769.2 Ų69.248%0.48139%0.387SS..  trans-128.8128.2-177.6172.439.2000111.8F18 F19 G21 M24 L67 G68F18-W65 HydrophobicContact CE2-CB 4.49Å; F18-W65 HydrophobicContact CZ-CB 4.15Å; F19-W65 PolarHBondContact O-N 2.85Å; G21-W65 VanDerWaalsContact CA-O 3.24Å; G21-W65 WeakPolarHBondContact CA-O 3.16Å; G21-W65 PolarHBondContact N-O 2.96Å; M24-W65 HydrophobicContact CE-CH2 3.92Å; M24-W65 HydrophobicContact CE-CZ3 4.35Å; M24-W65 HydrophobicContact CG-CH2 4.27Å; M24-W65 HydrophobicContact CG-CZ3 3.81Å; M24-W65 HydrophobicContact SD-CZ3 4.46Å; W65-L67 PolarHBondContact O-N 2.88Å; W65-G68 WeakPolarHBondContact O-CA 3.33Å; W65-G68 PolarHBondContact O-N 3.32Å
66S97.6Very high96.7Very high83 Ų8367.6 Ų67.658%0.5838%0.375SS*.THydrogen-bonded Turntrans55.6-124.9173.7-172.40000111.7G68 V69S66-G68 PolarHBondContact O-N 3.21Å; S66-G68 VanDerWaalsContact O-N 3.09Å; S66-V69 WeakPolarHBondContact O-CB 3.47Å; S66-V69 PolarHBondContact O-N 3.02Å
67L96.6Very high96.4Very high62 Ų6272.8 Ų72.833%0.32538%0.382SS..Hα-helixtrans-51.8-29.7173.8-177.165.3000112.6W22 Y45 W65 V69 W70 A71W22-L67 HydrophobicContact CB-CB 4.01Å; W22-L67 HydrophobicContact CB-CD2 3.64Å; W22-L67 HydrophobicContact CB-CG 4.47Å; W22-L67 HydrophobicContact CG-CD2 4.16Å; Y45-L67 HydrophobicContact CD2-CD2 4Å; Y45-L67 HydrophobicContact CD2-CG 4.24Å; W65-L67 PolarHBondContact O-N 2.88Å; L67-V69 PolarHBondContact O-N 3Å; L67-W70 HydrophobicContact CD1-CE3 4.08Å; L67-W70 PolarHBondContact O-N 2.96Å; L67-W70 VanDerWaalsContact O-N 3.09Å; L67-A71 PolarHBondContact O-N 3.27Å
68G97.1Very high96.4Very high0 Ų074.2 Ų74.20%039%0.392CS..Hα-helixtrans-59.3-26.7175.500000113.8F19 T20 W65 S66 A71 A72F19-G68 WeakPolarHBondContact CB-O 3.28Å; T20-G68 WeakPolarHBondContact O-CA 3.28Å; T20-G68 PolarHBondContact O-N 2.86Å; W65-G68 WeakPolarHBondContact O-CA 3.33Å; W65-G68 PolarHBondContact O-N 3.32Å; S66-G68 PolarHBondContact O-N 3.21Å; S66-G68 VanDerWaalsContact O-N 3.09Å; G68-A71 PolarHBondContact O-N 3.02Å; G68-A72 VanDerWaalsContact O-CB 3.24Å; G68-A72 WeakPolarHBondContact O-CB 3.41Å; G68-A72 PolarHBondContact O-N 2.6Å
69V98Very high96.3Very high83 Ų8374.2 Ų74.250%0.50339%0.386SS..Hα-helixtrans-66.4-43174.91780000110.7A64 S66 L67 A73A64-V69 HydrophobicContact CB-CB 4.43Å; A64-V69 HydrophobicContact CB-CG2 3.91Å; S66-V69 WeakPolarHBondContact O-CB 3.47Å; S66-V69 PolarHBondContact O-N 3.02Å; L67-V69 PolarHBondContact O-N 3Å; V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.21Å
70W97.1Very high96.3Very high146 Ų14673.4 Ų73.455%0.55338%0.384SS*.Hα-helixtrans-67.8-44.2175.5175.580.2000111.1L67 A72 A73 E74L67-W70 HydrophobicContact CD1-CE3 4.08Å; L67-W70 PolarHBondContact O-N 2.96Å; L67-W70 VanDerWaalsContact O-N 3.09Å; W70-A72 VanDerWaalsContact C-N 3.31Å; W70-A72 PolarHBondContact O-N 3.14Å; W70-A73 WeakPolarHBondContact O-CB 3.45Å; W70-A73 PolarHBondContact O-N 3.35Å; W70-A73 VanDerWaalsContact O-N 3.12Å; W70-E74 HydrophobicContact CD2-CG 3.94Å; W70-E74 VanDerWaalsContact CE2-CG 3.45Å; W70-E74 HydrophobicContact CE3-CG 4.3Å; W70-E74 HydrophobicContact CH2-CG 3.85Å; W70-E74 HydrophobicContact CZ2-CG 3.43Å; W70-E74 VanDerWaalsContact CZ2-CG 3.43Å; W70-E74 HydrophobicContact CZ3-CG 4.26Å; W70-E74 PolarHBondContact NE1-OE1 3.31Å; W70-E74 WeakPolarHBondContact O-CG 3.49Å; W70-E74 PolarHBondContact O-N 2.93Å
71A96.6Very high96.2Very high3 Ų372.4 Ų72.43%0.02539%0.386CS..Hα-helixtrans-61.1-39.2177.200000112.6F19 Y45 L67 G68 W75F19-A71 HydrophobicContact CD1-CB 4.06Å; Y45-A71 HydrophobicContact CD1-CB 3.62Å; Y45-A71 HydrophobicContact CD2-CB 3.93Å; Y45-A71 HydrophobicContact CE1-CB 3.53Å; Y45-A71 HydrophobicContact CE2-CB 3.85Å; Y45-A71 HydrophobicContact CG-CB 3.8Å; L67-A71 PolarHBondContact O-N 3.27Å; G68-A71 PolarHBondContact O-N 3.02Å; A71-W75 WeakPolarHBondContact O-CB 3.49Å; A71-W75 PolarHBondContact O-N 3.33Å
72A97.4Very high96.2Very high6 Ų671.8 Ų71.85%0.0539%0.386CS..Hα-helixtrans-65-40.8173.500000112F19 L62 A64 G68 W70 W75 C76F19-A72 HydrophobicContact CB-CB 4.35Å; F19-A72 HydrophobicContact CD1-CB 4.05Å; F19-A72 HydrophobicContact CD2-CB 3.71Å; F19-A72 HydrophobicContact CE1-CB 4.23Å; F19-A72 HydrophobicContact CE2-CB 3.9Å; F19-A72 HydrophobicContact CG-CB 3.79Å; F19-A72 HydrophobicContact CZ-CB 4.17Å; L62-A72 HydrophobicContact CD1-CB 4.33Å; L62-A72 HydrophobicContact CD2-CB 4.21Å; A64-A72 HydrophobicContact CB-CB 4.18Å; G68-A72 VanDerWaalsContact O-CB 3.24Å; G68-A72 WeakPolarHBondContact O-CB 3.41Å; G68-A72 PolarHBondContact O-N 2.6Å; W70-A72 VanDerWaalsContact C-N 3.31Å; W70-A72 PolarHBondContact O-N 3.14Å; A72-W75 PolarHBondContact O-N 3.14Å; A72-C76 WeakPolarHBondContact O-CB 3.4Å; A72-C76 PolarHBondContact O-N 3.31Å; A72-C76 PolarHBondContact O-SG 3.16Å
73A97Very high96.1Very high51 Ų5170.5 Ų70.542%0.42138%0.38SS..Hα-helixtrans-63.8-45.2176.600000111.9V69 W70 W75 C76 M77V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.21Å; W70-A73 WeakPolarHBondContact O-CB 3.45Å; W70-A73 PolarHBondContact O-N 3.35Å; W70-A73 VanDerWaalsContact O-N 3.12Å; A73-W75 VanDerWaalsContact C-N 3.33Å; A73-W75 PolarHBondContact O-N 3.31Å; A73-C76 PolarHBondContact O-N 3.26Å; A73-M77 WeakPolarHBondContact O-CG 3.44Å; A73-M77 PolarHBondContact O-N 2.9Å
74E95.7Very high96Very high92 Ų9272.9 Ų72.943%0.4339%0.385SS..Hα-helixtrans-62-38.8174.6-68.6-72.2131.900112.5W70 C76 M77W70-E74 HydrophobicContact CD2-CG 3.94Å; W70-E74 VanDerWaalsContact CE2-CG 3.45Å; W70-E74 HydrophobicContact CE3-CG 4.3Å; W70-E74 HydrophobicContact CH2-CG 3.85Å; W70-E74 HydrophobicContact CZ2-CG 3.43Å; W70-E74 VanDerWaalsContact CZ2-CG 3.43Å; W70-E74 HydrophobicContact CZ3-CG 4.26Å; W70-E74 PolarHBondContact NE1-OE1 3.31Å; W70-E74 WeakPolarHBondContact O-CG 3.49Å; W70-E74 PolarHBondContact O-N 2.93Å; E74-C76 VanDerWaalsContact C-N 3.31Å; E74-C76 PolarHBondContact O-N 3.09Å; E74-M77 HydrophobicContact CB-CE 4.44Å; E74-M77 VanDerWaalsContact CD-CE 3.5Å; E74-M77 HydrophobicContact CG-CE 4.3Å; E74-M77 PolarHBondContact O-N 2.88Å; E74-M77 WeakPolarHBondContact OE1-CE 3.24Å
75W95.1Very high95.9Very high57 Ų5775.8 Ų75.822%0.21639%0.393CS..Hα-helixtrans-68.4-28.8177.217573.5000113.4F19 V49 W51 L53 L62 A71 A72 A73 M77F19-W75 HydrophobicContact CE1-CB 4.1Å; F19-W75 HydrophobicContact CE1-CG 4.33Å; F19-W75 HydrophobicContact CE2-CE3 4.18Å; F19-W75 HydrophobicContact CZ-CB 4.04Å; F19-W75 AromaticContact CZ-CD2 3.78Å; F19-W75 HydrophobicContact CZ-CD2 3.78Å; F19-W75 AromaticContact CZ-CE3 3.72Å; F19-W75 HydrophobicContact CZ-CE3 3.72Å; F19-W75 AromaticContact CZ-CG 3.93Å; F19-W75 HydrophobicContact CZ-CG 3.93Å; F19-W75 HydrophobicContact CZ-CZ3 4.47Å; V49-W75 HydrophobicContact CB-CB 4.27Å; V49-W75 HydrophobicContact CB-CG 4.35Å; V49-W75 HydrophobicContact CG1-CB 4.43Å; V49-W75 HydrophobicContact CG1-CG 4.02Å; W51-W75 AromaticContact CE3-CZ2 3.67Å; W51-W75 HydrophobicContact CE3-CZ2 3.67Å; W51-W75 HydrophobicContact CZ3-CH2 4.06Å; W51-W75 AromaticContact CZ3-CZ2 3.61Å; W51-W75 HydrophobicContact CZ3-CZ2 3.61Å; W51-W75 PolarHBondContact O-NE1 3.47Å; L53-W75 HydrophobicContact CB-CH2 4.28Å; L53-W75 HydrophobicContact CB-CZ2 4.28Å; L53-W75 HydrophobicContact CD1-CH2 4.22Å; L62-W75 HydrophobicContact CD1-CZ3 4.21Å; A71-W75 WeakPolarHBondContact O-CB 3.49Å; A71-W75 PolarHBondContact O-N 3.33Å; A72-W75 PolarHBondContact O-N 3.14Å; A73-W75 VanDerWaalsContact C-N 3.33Å; A73-W75 PolarHBondContact O-N 3.31Å; W75-M77 VanDerWaalsContact C-N 3.33Å
76C92.4Very high95.8Very high90 Ų9071.5 Ų71.561%0.60839%0.385SS*.THydrogen-bonded Turntrans-79.2-11.7178.2-75.40000114.2A72 A73 E74A72-C76 WeakPolarHBondContact O-CB 3.4Å; A72-C76 PolarHBondContact O-N 3.31Å; A72-C76 PolarHBondContact O-SG 3.16Å; A73-C76 PolarHBondContact O-N 3.26Å; E74-C76 VanDerWaalsContact C-N 3.31Å; E74-C76 PolarHBondContact O-N 3.09Å
77M88.5Confident95.6Very high185 Ų18570.5 Ų70.591%0.91137%0.367SS*.  trans-89.10-179.1-70.5-169.9-69.100112.1A73 E74 W75A73-M77 WeakPolarHBondContact O-CG 3.44Å; A73-M77 PolarHBondContact O-N 2.9Å; E74-M77 HydrophobicContact CB-CE 4.44Å; E74-M77 VanDerWaalsContact CD-CE 3.5Å; E74-M77 HydrophobicContact CG-CE 4.3Å; E74-M77 PolarHBondContact O-N 2.88Å; E74-M77 WeakPolarHBondContact OE1-CE 3.24Å; W75-M77 VanDerWaalsContact C-N 3.33Å

Retrieved 77 of 77 residues in 19.6 ms (Link to these results)

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