A0A2K5MYU8_CERAT Loading...

TCL1 family AKT coactivator B

AlphaFold DB , UniProt , Accession A0A2K5MYU8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TCL1B, Length 128 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
1M35.3Very low49.1Very low245 Ų245126.7 Ų126.7100%1.20774%0.743SS**  0106.50-70.6-173.2-158.500106.7
2A34.2Very low52.6Low96 Ų96118.4 Ų118.479%0.79370%0.695SS**  trans-97.5107.2171.600000106.5E4A2-E4 VanDerWaalsContact C-N 3.35Å; A2-E4 PolarHBondContact O-N 3.11Å; A2-E4 VanDerWaalsContact O-N 3.11Å
3S42.8Very low55.7Low116 Ų116109.3 Ų109.381%0.81164%0.642SS**  trans-69100.2164.1-50.40000105.6A5S3-A5 PolarHBondContact O-N 2.92Å
4E39.5Very low58.5Low182 Ų182106.4 Ų106.485%0.8562%0.622SS**  trans-55.1106.6168.3-86173.874.200106.9A2 S6A2-E4 VanDerWaalsContact C-N 3.35Å; A2-E4 PolarHBondContact O-N 3.11Å; A2-E4 VanDerWaalsContact O-N 3.11Å; E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 2.9Å
5A38.7Very low60.9Low86 Ų86106 Ų10671%0.71161%0.606SS**  trans-63103.4172.600000105.7S3 V7S3-A5 PolarHBondContact O-N 2.92Å; A5-V7 PolarHBondContact O-N 3.06Å
6S41.7Very low63.1Low115 Ų11599.4 Ų99.480%0.80457%0.568SS**  trans-59.191.7161.4-44.90000105.4E4 R8E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 2.9Å; S6-R8 PolarHBondContact O-N 2.75Å
7V47.4Very low64.9Low96 Ų9698.7 Ų98.758%0.58255%0.554SS**  trans-51.3120.5170.8176.90000104.2A5 L9A5-V7 PolarHBondContact O-N 3.06Å; V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 2.77Å
8R45.2Very low66.4Low244 Ų24496.7 Ų96.792%0.92154%0.541SS*.  trans-61.799.2178.2-73.4-171.7175179.2-1.1106.6S6S6-R8 PolarHBondContact O-N 2.75Å
9L61.9Low67.5Low46 Ų4697.2 Ų97.224%0.24154%0.539CS..PPolyproline II helixtrans-67.2156.6172.1-71.8154.9000108.3V7 G110 Q111 E116V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 2.77Å; L9-G110 WeakPolarHBondContact CD1-O 3.5Å; L9-Q111 HydrophobicContact CD1-CB 4.02Å; L9-Q111 HydrophobicContact CD2-CB 3.86Å; L9-Q111 HydrophobicContact CG-CB 4.4Å; L9-E116 HydrophobicContact CD2-CG 4.3Å
10G69.6Low68.4Low52 Ų5296.7 Ų96.754%0.53653%0.531SS..PPolyproline II helixtrans-55.2172.8169.600000111.1H109G10-H109 PolarHBondContact O-CE1 3.22Å; G10-H109 VanDerWaalsContact O-CE1 3.22Å
11T84.6Confident69.1Low116 Ų11695.8 Ų95.871%0.71253%0.53SS*.PPolyproline II helixtrans-58.6143.2168.8-200000108.9
12P90.3Very high71.5Confident27 Ų2784.2 Ų84.218%0.17547%0.473CS..PPolyproline II helixtrans-55.8150.516826.5-36.7000109.6D14 L90 I106 H109 L118P12-D14 PolarHBondContact O-N 3.09Å; P12-L90 HydrophobicContact CG-CD1 4.31Å; P12-I106 HydrophobicContact CB-CD1 4.15Å; P12-I106 HydrophobicContact CG-CD1 4.03Å; P12-H109 VanDerWaalsContact CA-CE1 3.45Å; P12-H109 WeakPolarHBondContact CA-CE1 3.39Å; P12-L118 HydrophobicContact CB-CD1 4.41Å
13P93.4Very high74.1Confident0 Ų081 Ų810%044%0.442CS..PPolyproline II helixtrans-56.8138.6-175.321-31000111.2R15 L16 D26 W32 Y96 L118P13-R15 PolarHBondContact O-N 2.89Å; P13-L16 HydrophobicContact CB-CD2 4.34Å; P13-L16 HydrophobicContact CB-CG 4.49Å; P13-L16 HydrophobicContact CG-CD1 4.29Å; P13-L16 HydrophobicContact CG-CD2 3.94Å; P13-L16 HydrophobicContact CG-CG 4.05Å; P13-D26 HydrophobicContact CB-CB 3.6Å; P13-D26 HydrophobicContact CG-CB 4.49Å; P13-W32 HydrophobicContact CG-CZ2 3.9Å; P13-Y96 WeakPolarHBondContact CD-OH 3.4Å; P13-Y96 WeakPolarHBondContact CG-OH 3.32Å; P13-Y96 WeakPolarHBondContact O-CE1 3.42Å; P13-Y96 VanDerWaalsContact O-CZ 3.24Å; P13-Y96 PolarHBondContact O-OH 2.75Å; P13-L118 HydrophobicContact CG-CD2 4.28Å
14D94.4Very high76.4Confident69 Ų6975.5 Ų75.537%0.36940%0.404SS..SBendtrans-65.3-34.7175.3-167.7-101.4000110.4P12 E27 Q89 L90P12-D14 PolarHBondContact O-N 3.09Å; D14-E27 VanDerWaalsContact N-CD 3.26Å; D14-E27 PolarHBondContact N-OE1 3.08Å; D14-E27 PolarHBondContact N-OE2 2.77Å; D14-E27 VanDerWaalsContact N-OE2 3.08Å; D14-Q89 CarbonylContact O-C 3.56Å; D14-Q89 WeakPolarHBondContact O-CA 3.32Å; D14-L90 WeakPolarHBondContact O-CB 3.29Å; D14-L90 PolarHBondContact O-N 2.9Å
15R94.9Very high79Confident100 Ų10070 Ų7038%0.37738%0.378SS..EExtended strand (participates in β ladder)trans-141.4149.7-178.8-63.3-178.5-175.8-157.9-1.5112P13 W17 D26 E27 W88 Q89P13-R15 PolarHBondContact O-N 2.89Å; R15-W17 HydrophobicContact CB-CD2 4.36Å; R15-W17 HydrophobicContact CB-CE3 4.38Å; R15-W17 HydrophobicContact CB-CH2 3.55Å; R15-W17 HydrophobicContact CB-CZ2 3.53Å; R15-W17 HydrophobicContact CB-CZ3 4Å; R15-W17 HydrophobicContact CG-CH2 4.27Å; R15-W17 HydrophobicContact CG-CZ2 4.02Å; R15-D26 VanDerWaalsContact O-CA 3.23Å; R15-D26 WeakPolarHBondContact O-CA 3.42Å; R15-D26 WeakPolarHBondContact O-CB 3.42Å; R15-E27 PolarHBondContact N-OE2 2.97Å; R15-W88 CarbonylContact C-O 3.57Å; R15-W88 VanDerWaalsContact CA-O 3.29Å; R15-W88 WeakPolarHBondContact CA-O 3.41Å; R15-Q89 HydrophobicContact CG-CG 4.32Å
16L95.6Very high81.6Confident0 Ų066 Ų660%035%0.345CS..EExtended strand (participates in β ladder)trans-131122170.4-69.7167.1000108.1P13 Y24 E25 D26 W32 L63 V87 W88 L118P13-L16 HydrophobicContact CB-CD2 4.34Å; P13-L16 HydrophobicContact CB-CG 4.49Å; P13-L16 HydrophobicContact CG-CD1 4.29Å; P13-L16 HydrophobicContact CG-CD2 3.94Å; P13-L16 HydrophobicContact CG-CG 4.05Å; L16-Y24 HydrophobicContact CB-CD1 4.26Å; L16-E25 CarbonylContact C-O 3.55Å; L16-E25 WeakPolarHBondContact CA-O 3.45Å; L16-D26 HydrophobicContact CD2-CB 4.06Å; L16-W32 HydrophobicContact CD2-CB 4.1Å; L16-W32 VanDerWaalsContact CD2-CD1 3.4Å; L16-W32 HydrophobicContact CD2-CD2 4.33Å; L16-W32 HydrophobicContact CD2-CG 3.69Å; L16-L63 HydrophobicContact CD1-CD2 4.45Å; L16-V87 VanDerWaalsContact O-CA 3.26Å; L16-V87 WeakPolarHBondContact O-CA 3.26Å; L16-W88 HydrophobicContact CB-CB 4.29Å; L16-W88 HydrophobicContact CB-CE3 3.99Å; L16-W88 HydrophobicContact CD1-CE3 3.93Å; L16-W88 PolarHBondContact N-O 3.02Å; L16-W88 PolarHBondContact O-N 2.85Å; L16-L118 HydrophobicContact CD1-CD2 3.85Å
17W94.6Very high84.1Confident88 Ų8864.7 Ų64.733%0.33333%0.326SS..EExtended strand (participates in β ladder)trans-111.5133.2176.1-58.7-85000111R15 Q19 Y24 E25 E27R15-W17 HydrophobicContact CB-CD2 4.36Å; R15-W17 HydrophobicContact CB-CE3 4.38Å; R15-W17 HydrophobicContact CB-CH2 3.55Å; R15-W17 HydrophobicContact CB-CZ2 3.53Å; R15-W17 HydrophobicContact CB-CZ3 4Å; R15-W17 HydrophobicContact CG-CH2 4.27Å; R15-W17 HydrophobicContact CG-CZ2 4.02Å; W17-Q19 PolarHBondContact O-N 2.72Å; W17-Y24 CarbonylContact O-C 3.54Å; W17-Y24 WeakPolarHBondContact O-CA 3.34Å; W17-E25 VanDerWaalsContact CE3-O 3.3Å; W17-E25 PolarHBondContact N-O 2.95Å; W17-E25 PolarHBondContact O-N 3.47Å; W17-E27 HydrophobicContact CH2-CB 4.02Å; W17-E27 HydrophobicContact CZ3-CB 4.17Å
18I90.9Very high86.2Confident63 Ų6366.8 Ų66.832%0.32333%0.33SS..EExtended strand (participates in β ladder)trans-66124.6176.7-164.5169.5000110.3K20 Y24 P86I18-K20 WeakPolarHBondContact CG1-O 3.32Å; I18-Y24 HydrophobicContact CB-CD1 4.11Å; I18-Y24 HydrophobicContact CB-CE1 3.79Å; I18-Y24 HydrophobicContact CG1-CE1 4.17Å; I18-P86 HydrophobicContact CB-CB 4.48Å; I18-P86 WeakPolarHBondContact CB-O 3.29Å; I18-P86 HydrophobicContact CG2-CB 3.6Å; I18-P86 WeakPolarHBondContact CG2-O 3.33Å; I18-P86 PolarHBondContact N-O 3.07Å
19Q87.9Confident88.3Confident105 Ų10557.3 Ų57.349%0.49131%0.307SS..EExtended strand (participates in β ladder)trans-96.2-41.6169.6-69-65.6-24.200110.1W17 I23 E25W17-Q19 PolarHBondContact O-N 2.72Å; Q19-I23 HydrophobicContact CB-CG2 4.42Å; Q19-I23 PolarHBondContact N-O 2.56Å; Q19-E25 HydrophobicContact CG-CB 3.73Å; Q19-E25 PolarHBondContact NE2-OE1 2.77Å; Q19-E25 VanDerWaalsContact NE2-OE1 3.09Å
20K84.7Confident89.7Confident87 Ų8757.8 Ų57.838%0.37831%0.306SS..EExtended strand (participates in β ladder)trans-148.3161.9177.6-62.4-178.5-177.3173.90108.7I18 G22 I23I18-K20 WeakPolarHBondContact CG1-O 3.32Å; K20-G22 PolarHBondContact O-N 3.39Å; K20-I23 HydrophobicContact CB-CB 4.22Å; K20-I23 HydrophobicContact CB-CD1 4.29Å; K20-I23 HydrophobicContact CD-CD1 4.42Å; K20-I23 PolarHBondContact N-O 3.45Å; K20-I23 PolarHBondContact O-N 2.92Å
21P84Confident90.7Very high79 Ų7956.7 Ų56.751%0.51329%0.289SS..THydrogen-bonded Turntrans-49.4118.2172.3-27.936000111.6I23 F81P21-I23 VanDerWaalsContact C-N 3.34Å; P21-I23 PolarHBondContact O-N 3.43Å; P21-F81 HydrophobicContact CB-CB 3.98Å; P21-F81 HydrophobicContact CB-CD2 4.06Å; P21-F81 HydrophobicContact CB-CG 4.33Å
22G84.6Confident91.1Very high2 Ų251.1 Ų51.12%0.02126%0.255CS..THydrogen-bonded Turntrans79.32.6-178.100000116K20 T34 F81K20-G22 PolarHBondContact O-N 3.39Å; G22-T34 WeakPolarHBondContact O-CB 3.28Å; G22-T34 PolarHBondContact O-N 2.86Å; G22-T34 PolarHBondContact O-OG1 3.38Å; G22-F81 VanDerWaalsContact CA-CD1 3.44Å
23I88.9Confident91.1Very high28 Ų2850.6 Ų50.614%0.14425%0.251CS..EExtended strand (participates in β ladder)trans-124.3123.4178.3-57.8175.5000109.2Q19 K20 P21 T31Q19-I23 HydrophobicContact CB-CG2 4.42Å; Q19-I23 PolarHBondContact N-O 2.56Å; K20-I23 HydrophobicContact CB-CB 4.22Å; K20-I23 HydrophobicContact CB-CD1 4.29Å; K20-I23 HydrophobicContact CD-CD1 4.42Å; K20-I23 PolarHBondContact N-O 3.45Å; K20-I23 PolarHBondContact O-N 2.92Å; P21-I23 VanDerWaalsContact C-N 3.34Å; P21-I23 PolarHBondContact O-N 3.43Å; I23-T31 HydrophobicContact CG2-CG2 3.49Å; I23-T31 VanDerWaalsContact CG2-CG2 3.49Å
24Y91.8Very high90.9Very high0 Ų050.6 Ų50.60%025%0.251CS..EExtended strand (participates in β ladder)trans-118.8155.8-179.9-63.5-93.9000110.6L16 W17 I18 T31 W32 L63 L84 P85 W88L16-Y24 HydrophobicContact CB-CD1 4.26Å; W17-Y24 CarbonylContact O-C 3.54Å; W17-Y24 WeakPolarHBondContact O-CA 3.34Å; I18-Y24 HydrophobicContact CB-CD1 4.11Å; I18-Y24 HydrophobicContact CB-CE1 3.79Å; I18-Y24 HydrophobicContact CG1-CE1 4.17Å; Y24-T31 CarbonylContact O-C 3.57Å; Y24-T31 WeakPolarHBondContact O-CA 3.23Å; Y24-W32 PolarHBondContact N-O 2.86Å; Y24-W32 PolarHBondContact O-N 3.48Å; Y24-L63 HydrophobicContact CD2-CD2 3.77Å; Y24-L63 HydrophobicContact CE2-CD2 4.35Å; Y24-L63 HydrophobicContact CG-CD2 4.34Å; Y24-L84 HydrophobicContact CE2-CD1 4.46Å; Y24-L84 WeakPolarHBondContact OH-CB 3.4Å; Y24-P85 WeakPolarHBondContact CE1-O 3.41Å; Y24-P85 PolarHBondContact OH-O 2.84Å; Y24-W88 AromaticContact CD1-CE3 4Å; Y24-W88 HydrophobicContact CD1-CE3 4Å; Y24-W88 AromaticContact CD1-CZ3 3.72Å; Y24-W88 HydrophobicContact CD1-CZ3 3.72Å; Y24-W88 AromaticContact CD2-CZ3 3.94Å; Y24-W88 HydrophobicContact CD2-CZ3 3.94Å; Y24-W88 AromaticContact CE1-CE3 3.79Å; Y24-W88 HydrophobicContact CE1-CE3 3.79Å; Y24-W88 HydrophobicContact CE1-CH2 4.07Å; Y24-W88 AromaticContact CE1-CZ3 3.32Å; Y24-W88 HydrophobicContact CE1-CZ3 3.32Å; Y24-W88 AromaticContact CE2-CH2 3.97Å; Y24-W88 HydrophobicContact CE2-CH2 3.97Å; Y24-W88 AromaticContact CE2-CZ3 3.56Å; Y24-W88 HydrophobicContact CE2-CZ3 3.56Å; Y24-W88 HydrophobicContact CG-CZ3 4.02Å; Y24-W88 AromaticContact CZ-CH2 3.6Å; Y24-W88 AromaticContact CZ-CZ3 3.23Å
25E93.8Very high90.6Very high68 Ų6849.5 Ų49.532%0.31825%0.247SC..EExtended strand (participates in β ladder)trans-123.4139.5173-175.217580.800108.5L16 W17 Q19 R30L16-E25 CarbonylContact C-O 3.55Å; L16-E25 WeakPolarHBondContact CA-O 3.45Å; W17-E25 VanDerWaalsContact CE3-O 3.3Å; W17-E25 PolarHBondContact N-O 2.95Å; W17-E25 PolarHBondContact O-N 3.47Å; Q19-E25 HydrophobicContact CG-CB 3.73Å; Q19-E25 PolarHBondContact NE2-OE1 2.77Å; Q19-E25 VanDerWaalsContact NE2-OE1 3.09Å; E25-R30 WeakPolarHBondContact CA-O 3.15Å
26D94.6Very high90.3Very high2 Ų247.2 Ų47.21%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-97.5177.1175.772.218000113.6P13 R15 L16 E28 G29 R30 W32P13-D26 HydrophobicContact CB-CB 3.6Å; P13-D26 HydrophobicContact CG-CB 4.49Å; R15-D26 VanDerWaalsContact O-CA 3.23Å; R15-D26 WeakPolarHBondContact O-CA 3.42Å; R15-D26 WeakPolarHBondContact O-CB 3.42Å; L16-D26 HydrophobicContact CD2-CB 4.06Å; D26-E28 PolarHBondContact O-N 3.19Å; D26-E28 WeakPolarHBondContact OD1-CA 3.48Å; D26-E28 WeakPolarHBondContact OD1-CB 3.29Å; D26-E28 PolarHBondContact OD1-N 2.84Å; D26-G29 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact OD1-N 3.37Å; D26-G29 VanDerWaalsContact OD1-N 3.16Å; D26-R30 PolarHBondContact N-O 2.86Å; D26-R30 WeakPolarHBondContact OD1-CB 3.36Å; D26-R30 PolarHBondContact OD1-N 2.73Å; D26-R30 IonicContact OD1-NE 3.97Å; D26-R30 WeakPolarHBondContact OD2-CB 3.36Å; D26-R30 IonicContact OD2-CZ 2.72Å; D26-R30 VanDerWaalsContact OD2-CZ 3.26Å; D26-R30 IonicContact OD2-NE 3.81Å; D26-R30 PolarHBondContact OD2-NE 3.16Å; D26-R30 IonicContact OD2-NH2 3.53Å; D26-R30 PolarHBondContact OD2-NH2 2.95Å; D26-W32 PolarHBondContact OD2-NE1 2.93Å
27E93.5Very high89.9Confident87 Ų8748.6 Ų48.641%0.40725%0.252SS..THydrogen-bonded Turntrans-63.7-18.9-178.368.5-81.9-170.900114.4D14 R15 W17 G29D14-E27 VanDerWaalsContact N-CD 3.26Å; D14-E27 PolarHBondContact N-OE1 3.08Å; D14-E27 PolarHBondContact N-OE2 2.77Å; D14-E27 VanDerWaalsContact N-OE2 3.08Å; R15-E27 PolarHBondContact N-OE2 2.97Å; W17-E27 HydrophobicContact CH2-CB 4.02Å; W17-E27 HydrophobicContact CZ3-CB 4.17Å; E27-G29 VanDerWaalsContact C-N 3.32Å
28E91.2Very high89.6Confident140 Ų14052 Ų5265%0.65427%0.265SS*.THydrogen-bonded Turntrans-91.52.5175.3-58.8-164.4104.600112D26 R30D26-E28 PolarHBondContact O-N 3.19Å; D26-E28 WeakPolarHBondContact OD1-CA 3.48Å; D26-E28 WeakPolarHBondContact OD1-CB 3.29Å; D26-E28 PolarHBondContact OD1-N 2.84Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 HydrophobicContact CB-CG 4.15Å; E28-R30 IonicContact OE2-CZ 2.77Å; E28-R30 IonicContact OE2-NE 3.42Å; E28-R30 IonicContact OE2-NH2 3.83Å
29G89.3Confident89.2Confident44 Ų4453.2 Ų53.245%0.45427%0.268SS..  trans74.117.7-17700000113.3D26 E27D26-G29 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact OD1-N 3.37Å; D26-G29 VanDerWaalsContact OD1-N 3.16Å; E27-G29 VanDerWaalsContact C-N 3.32Å
30R90.9Very high88.8Confident57 Ų5753.2 Ų53.222%0.21527%0.271CS..  trans-83137175.7-51.5179.8-64.5170.3-2.7109.5E25 D26 E28 Q65 E116E25-R30 WeakPolarHBondContact CA-O 3.15Å; D26-R30 PolarHBondContact N-O 2.86Å; D26-R30 WeakPolarHBondContact OD1-CB 3.36Å; D26-R30 PolarHBondContact OD1-N 2.73Å; D26-R30 IonicContact OD1-NE 3.97Å; D26-R30 WeakPolarHBondContact OD2-CB 3.36Å; D26-R30 IonicContact OD2-CZ 2.72Å; D26-R30 VanDerWaalsContact OD2-CZ 3.26Å; D26-R30 IonicContact OD2-NE 3.81Å; D26-R30 PolarHBondContact OD2-NE 3.16Å; D26-R30 IonicContact OD2-NH2 3.53Å; D26-R30 PolarHBondContact OD2-NH2 2.95Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 HydrophobicContact CB-CG 4.15Å; E28-R30 IonicContact OE2-CZ 2.77Å; E28-R30 IonicContact OE2-NE 3.42Å; E28-R30 IonicContact OE2-NH2 3.83Å; R30-Q65 HydrophobicContact CB-CG 4.13Å; R30-E116 IonicContact CZ-OE2 3.26Å; R30-E116 IonicContact NH1-OE1 3.32Å; R30-E116 IonicContact NH1-OE2 2.75Å; R30-E116 PolarHBondContact NH1-OE2 2.81Å
31T91.6Very high88Confident28 Ų2851.7 Ų51.717%0.17227%0.27CS..EExtended strand (participates in β ladder)trans-87.6134178.8-50.10000111.1I23 Y24 V33 Q65 M66 V68I23-T31 HydrophobicContact CG2-CG2 3.49Å; I23-T31 VanDerWaalsContact CG2-CG2 3.49Å; Y24-T31 CarbonylContact O-C 3.57Å; Y24-T31 WeakPolarHBondContact O-CA 3.23Å; T31-V33 HydrophobicContact CG2-CG2 4.42Å; T31-Q65 CarbonylContact O-C 3.49Å; T31-Q65 WeakPolarHBondContact O-CA 3.39Å; T31-Q65 PolarHBondContact O-NE2 2.82Å; T31-M66 WeakPolarHBondContact CB-O 3.41Å; T31-M66 PolarHBondContact O-N 2.93Å; T31-V68 HydrophobicContact CG2-CB 4.3Å; T31-V68 HydrophobicContact CG2-CG2 4.19Å
32W92.4Very high86.8Confident0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-117.7118.8178.3-70.287.5000110P13 L16 Y24 D26 L63 W64 Q65 E116 L118P13-W32 HydrophobicContact CG-CZ2 3.9Å; L16-W32 HydrophobicContact CD2-CB 4.1Å; L16-W32 VanDerWaalsContact CD2-CD1 3.4Å; L16-W32 HydrophobicContact CD2-CD2 4.33Å; L16-W32 HydrophobicContact CD2-CG 3.69Å; Y24-W32 PolarHBondContact N-O 2.86Å; Y24-W32 PolarHBondContact O-N 3.48Å; D26-W32 PolarHBondContact OD2-NE1 2.93Å; W32-L63 HydrophobicContact CB-CB 4.48Å; W32-L63 HydrophobicContact CB-CD2 4.17Å; W32-L63 HydrophobicContact CE3-CB 3.94Å; W32-W64 CarbonylContact C-O 3.55Å; W32-W64 WeakPolarHBondContact CA-O 3.26Å; W32-Q65 HydrophobicContact CD2-CB 4.18Å; W32-Q65 HydrophobicContact CD2-CG 4.47Å; W32-Q65 HydrophobicContact CE3-CB 4.09Å; W32-Q65 HydrophobicContact CH2-CB 4.2Å; W32-Q65 HydrophobicContact CZ2-CB 4.25Å; W32-Q65 HydrophobicContact CZ2-CG 4.33Å; W32-Q65 HydrophobicContact CZ3-CB 4.09Å; W32-E116 HydrophobicContact CH2-CB 4.31Å; W32-E116 HydrophobicContact CH2-CG 3.72Å; W32-E116 VanDerWaalsContact CH2-OE1 3.26Å; W32-E116 WeakPolarHBondContact CH2-OE1 3.44Å; W32-E116 HydrophobicContact CZ3-CG 4.38Å; W32-L118 HydrophobicContact CE3-CB 4.14Å; W32-L118 HydrophobicContact CH2-CB 4.05Å; W32-L118 HydrophobicContact CZ3-CB 3.5Å; W32-L118 VanDerWaalsContact CZ3-CB 3.5Å
33V90.4Very high85.3Confident15 Ų1558.8 Ų58.89%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-106.1125.8-176.1-175.70000109.8T31 V35 L63 W64 M66 V68T31-V33 HydrophobicContact CG2-CG2 4.42Å; V33-V35 PolarHBondContact O-N 3.43Å; V33-L63 CarbonylContact O-C 3.54Å; V33-L63 VanDerWaalsContact O-CA 3.32Å; V33-L63 WeakPolarHBondContact O-CA 3.29Å; V33-W64 PolarHBondContact N-O 2.88Å; V33-W64 PolarHBondContact O-N 2.81Å; V33-M66 HydrophobicContact CB-CG 4.49Å; V33-M66 HydrophobicContact CB-SD 3.84Å; V33-M66 HydrophobicContact CG1-SD 4.34Å; V33-M66 HydrophobicContact CG2-CB 4.06Å; V33-M66 HydrophobicContact CG2-CG 4.19Å; V33-M66 HydrophobicContact CG2-SD 3.81Å; V33-V68 HydrophobicContact CG2-CG2 3.52Å
34T89.7Confident83.9Confident1 Ų166.8 Ų66.81%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-73.9113.5173.1-55.30000109.4G22 V37 V61 H62 F81 L84G22-T34 WeakPolarHBondContact O-CB 3.28Å; G22-T34 PolarHBondContact O-N 2.86Å; G22-T34 PolarHBondContact O-OG1 3.38Å; T34-V37 HydrophobicContact CG2-CG2 3.6Å; T34-V61 HydrophobicContact CG2-CG1 3.53Å; T34-H62 WeakPolarHBondContact CA-O 3.4Å; T34-F81 HydrophobicContact CG2-CD1 4.2Å; T34-F81 HydrophobicContact CG2-CE1 3.63Å; T34-L84 HydrophobicContact CG2-CD1 4.19Å
35V87.7Confident82.3Confident46 Ų4668.4 Ų68.428%0.27934%0.337SS..EExtended strand (participates in β ladder)trans-99.5-23.4-179.6-66.80000112.6V33 H62 W64V33-V35 PolarHBondContact O-N 3.43Å; V35-H62 HydrophobicContact CG2-CB 3.96Å; V35-H62 WeakPolarHBondContact CG2-O 3.36Å; V35-H62 PolarHBondContact N-O 2.89Å; V35-W64 HydrophobicContact CB-CD2 4.33Å; V35-W64 HydrophobicContact CB-CE3 4.42Å; V35-W64 HydrophobicContact CG1-CB 4.21Å; V35-W64 HydrophobicContact CG1-CD2 3.81Å; V35-W64 HydrophobicContact CG1-CE3 3.67Å; V35-W64 HydrophobicContact CG1-CG 4.02Å; V35-W64 HydrophobicContact CG1-CZ3 4.47Å; V35-W64 HydrophobicContact CG2-CD2 3.73Å; V35-W64 HydrophobicContact CG2-CE3 4.28Å; V35-W64 HydrophobicContact CG2-CG 3.85Å; V35-W64 HydrophobicContact CG2-CZ2 4.48Å
36V87.9Confident80.5Confident51 Ų5173.9 Ų73.931%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-143.5133.1-178.9176.10000109.6R38 V61 H62V36-R38 HydrophobicContact CG1-CG 3.69Å; V36-V61 WeakPolarHBondContact O-CA 3.18Å; V36-H62 HydrophobicContact CB-CB 4.02Å; V36-H62 PolarHBondContact O-N 2.84Å
37V88.3Confident78.8Confident30 Ų3076.3 Ų76.318%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-124.9120.5164.4-175.40000107.6T34 F39 I59 V61 P80 F81 L84T34-V37 HydrophobicContact CG2-CG2 3.6Å; V37-F39 HydrophobicContact CG1-CD2 4.46Å; V37-F39 HydrophobicContact CG1-CE2 3.75Å; V37-F39 HydrophobicContact CG1-CZ 3.8Å; V37-I59 HydrophobicContact CG1-CG2 3.92Å; V37-V61 HydrophobicContact CG1-CG2 4.5Å; V37-P80 HydrophobicContact CB-CB 3.97Å; V37-P80 HydrophobicContact CG1-CB 4.34Å; V37-P80 HydrophobicContact CG2-CB 4.11Å; V37-F81 HydrophobicContact CG2-CD1 4.17Å; V37-F81 HydrophobicContact CG2-CE1 4.06Å; V37-L84 HydrophobicContact CG2-CD1 4.22Å
38R87.4Confident77.1Confident160 Ų16079.6 Ų79.660%0.60438%0.384SS*.EExtended strand (participates in β ladder)trans-113.1126.5178.2-67.3-178.8-179.1-148.60.7109.5V36 I59 T60V36-R38 HydrophobicContact CG1-CG 3.69Å; R38-I59 CarbonylContact O-C 3.58Å; R38-I59 WeakPolarHBondContact O-CA 3.36Å; R38-T60 PolarHBondContact N-O 3.09Å; R38-T60 PolarHBondContact O-N 3.11Å
39F83.5Confident75.4Confident87 Ų8774.4 Ų74.438%0.38237%0.366SS..EExtended strand (participates in β ladder)trans-99118169-60.5-86.2000107.9V37 P41 P57 I59 P80 Q83V37-F39 HydrophobicContact CG1-CD2 4.46Å; V37-F39 HydrophobicContact CG1-CE2 3.75Å; V37-F39 HydrophobicContact CG1-CZ 3.8Å; F39-P41 WeakPolarHBondContact O-CD 3.38Å; F39-P57 HydrophobicContact CD1-CG 3.98Å; F39-I59 HydrophobicContact CD1-CD1 4.38Å; F39-I59 HydrophobicContact CD1-CG1 3.97Å; F39-I59 HydrophobicContact CE1-CD1 3.99Å; F39-I59 HydrophobicContact CE1-CG1 4.04Å; F39-P80 HydrophobicContact CE2-CB 4.46Å; F39-Q83 HydrophobicContact CE1-CB 4.25Å; F39-Q83 HydrophobicContact CE1-CG 4.04Å; F39-Q83 HydrophobicContact CZ-CB 4.45Å; F39-Q83 HydrophobicContact CZ-CG 4.23Å
40N77.8Confident74Confident105 Ų10576.5 Ų76.556%0.56137%0.373SS*.EExtended strand (participates in β ladder)trans-108.8107.8-179.1-160.519000109.7S58N40-S58 PolarHBondContact N-O 2.84Å
41P67.9Low72.5Confident55 Ų5581.5 Ų81.536%0.35740%0.399SS..  trans-82.8137.6156.531.5-28.5000110.4F39 Y55F39-P41 WeakPolarHBondContact O-CD 3.38Å; P41-Y55 WeakPolarHBondContact CA-OH 3.37Å; P41-Y55 VanDerWaalsContact CB-OH 3.24Å; P41-Y55 WeakPolarHBondContact CB-OH 3.49Å
42S59.2Low70.7Confident52 Ų5283.7 Ų83.736%0.36443%0.427SS..  trans-67.9140.8151.976.90000108.2R44 E45 W46S42-R44 PolarHBondContact O-N 3.21Å; S42-E45 WeakPolarHBondContact CB-OE2 3.35Å; S42-E45 PolarHBondContact N-OE2 2.9Å; S42-E45 WeakPolarHBondContact O-CB 3.37Å; S42-E45 PolarHBondContact O-N 2.81Å; S42-E45 WeakPolarHBondContact OG-CG 3.36Å; S42-E45 PolarHBondContact OG-OE2 2.82Å; S42-W46 PolarHBondContact O-N 2.83Å
43H54.2Low69.1Low178 Ų17886.7 Ų86.782%0.82445%0.448SS*.Hα-helixtrans-52.9-26-179.1-177.5-97.1000113.6
44R59.9Low67.7Low197 Ų19792.6 Ų92.674%0.74348%0.484SS*.Hα-helixtrans-73.6-29.9173.8-87.3-177172.6-104.82.3113.8S42S42-R44 PolarHBondContact O-N 3.21Å
45E58.2Low66.7Low33 Ų3395.7 Ų95.715%0.15450%0.496CS..Hα-helixtrans-81.5-33.9-173.8-72.6169.3132.100112S42 A47 R48 A49 Y55 R126S42-E45 WeakPolarHBondContact CB-OE2 3.35Å; S42-E45 PolarHBondContact N-OE2 2.9Å; S42-E45 WeakPolarHBondContact O-CB 3.37Å; S42-E45 PolarHBondContact O-N 2.81Å; S42-E45 WeakPolarHBondContact OG-CG 3.36Å; S42-E45 PolarHBondContact OG-OE2 2.82Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 2.78Å; E45-R48 PolarHBondContact O-N 3.36Å; E45-R48 VanDerWaalsContact O-N 3.12Å; E45-A49 PolarHBondContact O-N 2.76Å; E45-Y55 HydrophobicContact CB-CD2 4.12Å; E45-Y55 HydrophobicContact CB-CE2 3.52Å; E45-Y55 HydrophobicContact CG-CE2 4.35Å; E45-R126 VanDerWaalsContact CD-NH2 3.3Å; E45-R126 IonicContact OE1-CZ 2.92Å; E45-R126 IonicContact OE1-NE 2.95Å; E45-R126 PolarHBondContact OE1-NE 3.43Å; E45-R126 IonicContact OE1-NH2 3.26Å; E45-R126 PolarHBondContact OE1-NH2 3Å; E45-R126 IonicContact OE2-NH2 3.79Å; E45-R126 PolarHBondContact OE2-NH2 3.34Å
46W55.8Low66.2Low183 Ų18398.4 Ų98.469%0.69351%0.506SS*.Hα-helixtrans-54.6-46169.1172.4-91000112.1S42 R48 A49 S50S42-W46 PolarHBondContact O-N 2.83Å; W46-R48 PolarHBondContact O-N 2.74Å; W46-A49 PolarHBondContact O-N 2.9Å; W46-S50 PolarHBondContact O-N 2.76Å; W46-S50 PolarHBondContact O-OG 3.14Å
47A58.4Low65.8Low53 Ų5397.5 Ų97.544%0.43850%0.501SS..Hα-helixtrans-68.5-19.9-179.700000114E45 Q51E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 2.78Å; A47-Q51 PolarHBondContact O-NE2 2.93Å
48R58.3Low65.7Low157 Ų15797.4 Ų97.459%0.59250%0.502SS*.Hα-helixtrans-91-34.9175.8-71.6-151.8-109.5142.1-9.9112.8E45 W46 S50 Q51E45-R48 PolarHBondContact O-N 3.36Å; E45-R48 VanDerWaalsContact O-N 3.12Å; W46-R48 PolarHBondContact O-N 2.74Å; R48-S50 PolarHBondContact O-N 2.87Å; R48-Q51 WeakPolarHBondContact O-CB 3.46Å; R48-Q51 PolarHBondContact O-N 2.75Å
49A54.9Low65.9Low31 Ų3190.1 Ų90.126%0.25647%0.474SS..Hα-helixtrans-57.7-33.4173.700000112.1E45 W46 Q51 G52 Y55E45-A49 PolarHBondContact O-N 2.76Å; W46-A49 PolarHBondContact O-N 2.9Å; A49-Q51 PolarHBondContact O-N 2.84Å; A49-Q51 VanDerWaalsContact O-N 3.13Å; A49-G52 PolarHBondContact O-N 3.01Å; A49-Y55 VanDerWaalsContact CB-CB 3.49Å; A49-Y55 HydrophobicContact CB-CD1 4.26Å; A49-Y55 HydrophobicContact CB-CD2 4.4Å; A49-Y55 HydrophobicContact CB-CG 3.79Å
50S58.9Low66.3Low88 Ų8887.5 Ų87.562%0.61547%0.466SS*.THydrogen-bonded Turntrans-65.1-10.3174.9-38.60000114.5W46 R48W46-S50 PolarHBondContact O-N 2.76Å; W46-S50 PolarHBondContact O-OG 3.14Å; R48-S50 PolarHBondContact O-N 2.87Å
51Q59.8Low67Low162 Ų16282.5 Ų82.576%0.75744%0.439SS*.THydrogen-bonded Turntrans-105.915.4-178.6-66.9176.368.800113.2A47 R48 A49A47-Q51 PolarHBondContact O-NE2 2.93Å; R48-Q51 WeakPolarHBondContact O-CB 3.46Å; R48-Q51 PolarHBondContact O-N 2.75Å; A49-Q51 PolarHBondContact O-N 2.84Å; A49-Q51 VanDerWaalsContact O-N 3.13Å
52G54.6Low68.2Low73 Ų7381.8 Ų81.875%0.75343%0.431SS*.THydrogen-bonded Turntrans92.516.2171.100000115.9A49A49-G52 PolarHBondContact O-N 3.01Å
53S58.2Low69.8Low63 Ų6379.3 Ų79.344%0.44141%0.413SS..  trans-84.2137.5168.669.20000111.2Y55S53-Y55 PolarHBondContact O-N 2.99Å
54T61.9Low71.6Confident139 Ų13974.4 Ų74.485%0.85339%0.388SS*.  trans-58.1100.4164.7-50.70000108.7
55Y68.8Low73Confident67 Ų6767.4 Ų67.426%0.26336%0.364SS..  trans-93.2115.9-178.7171.2-105.1000109.5P41 E45 A49 S53 P57P41-Y55 WeakPolarHBondContact CA-OH 3.37Å; P41-Y55 VanDerWaalsContact CB-OH 3.24Å; P41-Y55 WeakPolarHBondContact CB-OH 3.49Å; E45-Y55 HydrophobicContact CB-CD2 4.12Å; E45-Y55 HydrophobicContact CB-CE2 3.52Å; E45-Y55 HydrophobicContact CG-CE2 4.35Å; A49-Y55 VanDerWaalsContact CB-CB 3.49Å; A49-Y55 HydrophobicContact CB-CD1 4.26Å; A49-Y55 HydrophobicContact CB-CD2 4.4Å; A49-Y55 HydrophobicContact CB-CG 3.79Å; S53-Y55 PolarHBondContact O-N 2.99Å; Y55-P57 HydrophobicContact CE1-CB 3.78Å; Y55-P57 HydrophobicContact CE1-CG 4.37Å; Y55-P57 WeakPolarHBondContact OH-CA 3.43Å
56E76.6Confident74.4Confident103 Ų10369.2 Ų69.248%0.48137%0.373SS..PPolyproline II helixtrans-100.8118.2170-63.4-135.5117.600108.9Y122 P124E56-Y122 PolarHBondContact OE2-OH 3.17Å; E56-Y122 VanDerWaalsContact OE2-OH 3.1Å; E56-P124 HydrophobicContact CB-CB 3.88Å; E56-P124 HydrophobicContact CB-CG 4.39Å; E56-P124 WeakPolarHBondContact O-CG 3.48Å
57P79.4Confident75.5Confident32 Ų3264.6 Ų64.621%0.20837%0.373CS..PPolyproline II helixtrans-75.7152.917729.8-33.1000111.6F39 Y55F39-P57 HydrophobicContact CD1-CG 3.98Å; Y55-P57 HydrophobicContact CE1-CB 3.78Å; Y55-P57 HydrophobicContact CE1-CG 4.37Å; Y55-P57 WeakPolarHBondContact OH-CA 3.43Å
58S86.5Confident76Confident28 Ų2864.7 Ų64.720%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-69.4140.6161.7-56.80000109.4N40 Y122N40-S58 PolarHBondContact N-O 2.84Å; S58-Y122 WeakPolarHBondContact CA-O 3.45Å
59I90.4Very high76Confident6 Ų665.5 Ų65.53%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-122.6130.2-176.8-52.8173.9000108.6V37 R38 F39 V61 Q83 L84 W104 T121 Y122V37-I59 HydrophobicContact CG1-CG2 3.92Å; R38-I59 CarbonylContact O-C 3.58Å; R38-I59 WeakPolarHBondContact O-CA 3.36Å; F39-I59 HydrophobicContact CD1-CD1 4.38Å; F39-I59 HydrophobicContact CD1-CG1 3.97Å; F39-I59 HydrophobicContact CE1-CD1 3.99Å; F39-I59 HydrophobicContact CE1-CG1 4.04Å; I59-V61 HydrophobicContact CG2-CG2 3.94Å; I59-Q83 HydrophobicContact CD1-CB 4.06Å; I59-L84 HydrophobicContact CG2-CD2 4.46Å; I59-W104 HydrophobicContact CB-CH2 4.02Å; I59-W104 HydrophobicContact CB-CZ3 4.27Å; I59-W104 HydrophobicContact CD1-CH2 4.4Å; I59-W104 HydrophobicContact CG2-CH2 4.01Å; I59-W104 HydrophobicContact CG2-CZ3 4.22Å; I59-T121 CarbonylContact O-C 3.52Å; I59-T121 VanDerWaalsContact O-CA 3.29Å; I59-T121 WeakPolarHBondContact O-CA 3.07Å; I59-Y122 HydrophobicContact CD1-CD1 4.23Å; I59-Y122 HydrophobicContact CG1-CD1 4.22Å; I59-Y122 PolarHBondContact N-O 2.91Å; I59-Y122 VanDerWaalsContact N-O 3.07Å; I59-Y122 PolarHBondContact O-N 2.86Å
60T92.7Very high75.9Confident33 Ų3369.4 Ų69.420%0.20240%0.399CS..EExtended strand (participates in β ladder)trans-117131.5170-59.50000109.7R38 V119 L120 T121R38-T60 PolarHBondContact N-O 3.09Å; R38-T60 PolarHBondContact O-N 3.11Å; T60-V119 HydrophobicContact CG2-CG1 3.85Å; T60-L120 CarbonylContact C-O 3.58Å; T60-L120 WeakPolarHBondContact CA-O 3.24Å; T60-T121 PolarHBondContact OG1-OG1 3.29Å
61V92.6Very high75.2Confident0 Ų075.2 Ų75.20%041%0.408CS..EExtended strand (participates in β ladder)trans-124.5134.8-175.4-175.50000109T34 V36 V37 I59 L63 L84 W104 V119 L120T34-V61 HydrophobicContact CG2-CG1 3.53Å; V36-V61 WeakPolarHBondContact O-CA 3.18Å; V37-V61 HydrophobicContact CG1-CG2 4.5Å; I59-V61 HydrophobicContact CG2-CG2 3.94Å; V61-L63 HydrophobicContact CB-CD1 4.39Å; V61-L63 HydrophobicContact CG1-CD1 3.76Å; V61-L63 HydrophobicContact CG1-CG 4.16Å; V61-L84 HydrophobicContact CG1-CD1 4.26Å; V61-L84 HydrophobicContact CG2-CD1 4.46Å; V61-L84 HydrophobicContact CG2-CD2 3.43Å; V61-L84 VanDerWaalsContact CG2-CD2 3.43Å; V61-W104 HydrophobicContact CG2-CH2 4.25Å; V61-W104 HydrophobicContact CG2-CZ3 3.71Å; V61-V119 CarbonylContact O-C 3.6Å; V61-V119 WeakPolarHBondContact O-CA 3.17Å; V61-L120 PolarHBondContact N-O 2.95Å; V61-L120 PolarHBondContact O-N 3.37Å
62H92.6Very high74.8Confident39 Ų3974.6 Ų74.618%0.18141%0.405CS..EExtended strand (participates in β ladder)trans-111.5122170.8-59.9-115.6000108.7T34 V35 V36 V119T34-H62 WeakPolarHBondContact CA-O 3.4Å; V35-H62 HydrophobicContact CG2-CB 3.96Å; V35-H62 WeakPolarHBondContact CG2-O 3.36Å; V35-H62 PolarHBondContact N-O 2.89Å; V36-H62 HydrophobicContact CB-CB 4.02Å; V36-H62 PolarHBondContact O-N 2.84Å; H62-V119 WeakPolarHBondContact ND1-CG2 3.18Å
63L92.2Very high74.6Confident0 Ų075.1 Ų75.10%040%0.395CS..EExtended strand (participates in β ladder)trans-110.2134.3175.1-58.997000109.5L16 Y24 W32 V33 V61 W88 Q117 L118 L120L16-L63 HydrophobicContact CD1-CD2 4.45Å; Y24-L63 HydrophobicContact CD2-CD2 3.77Å; Y24-L63 HydrophobicContact CE2-CD2 4.35Å; Y24-L63 HydrophobicContact CG-CD2 4.34Å; W32-L63 HydrophobicContact CB-CB 4.48Å; W32-L63 HydrophobicContact CB-CD2 4.17Å; W32-L63 HydrophobicContact CE3-CB 3.94Å; V33-L63 CarbonylContact O-C 3.54Å; V33-L63 VanDerWaalsContact O-CA 3.32Å; V33-L63 WeakPolarHBondContact O-CA 3.29Å; V61-L63 HydrophobicContact CB-CD1 4.39Å; V61-L63 HydrophobicContact CG1-CD1 3.76Å; V61-L63 HydrophobicContact CG1-CG 4.16Å; L63-W88 HydrophobicContact CD2-CZ3 4.13Å; L63-Q117 CarbonylContact O-C 3.56Å; L63-Q117 WeakPolarHBondContact O-CA 3.24Å; L63-L118 HydrophobicContact CB-CB 4.4Å; L63-L118 PolarHBondContact N-O 3.25Å; L63-L118 PolarHBondContact O-N 2.98Å; L63-L120 HydrophobicContact CD1-CD1 3.91Å; L63-L120 HydrophobicContact CD1-CG 4.04Å
64W92.2Very high74.3Confident76 Ų7679.5 Ų79.529%0.28841%0.413SS..EExtended strand (participates in β ladder)trans-114.4130.6175.7-730.1000110W32 V33 V35 M66 M115 E116W32-W64 CarbonylContact C-O 3.55Å; W32-W64 WeakPolarHBondContact CA-O 3.26Å; V33-W64 PolarHBondContact N-O 2.88Å; V33-W64 PolarHBondContact O-N 2.81Å; V35-W64 HydrophobicContact CB-CD2 4.33Å; V35-W64 HydrophobicContact CB-CE3 4.42Å; V35-W64 HydrophobicContact CG1-CB 4.21Å; V35-W64 HydrophobicContact CG1-CD2 3.81Å; V35-W64 HydrophobicContact CG1-CE3 3.67Å; V35-W64 HydrophobicContact CG1-CG 4.02Å; V35-W64 HydrophobicContact CG1-CZ3 4.47Å; V35-W64 HydrophobicContact CG2-CD2 3.73Å; V35-W64 HydrophobicContact CG2-CE3 4.28Å; V35-W64 HydrophobicContact CG2-CG 3.85Å; V35-W64 HydrophobicContact CG2-CZ2 4.48Å; W64-M66 HydrophobicContact CB-CG 4.25Å; W64-M66 HydrophobicContact CB-SD 4.49Å; W64-M66 PolarHBondContact O-N 2.8Å; W64-M115 HydrophobicContact CB-CE 4.37Å; W64-M115 HydrophobicContact CB-CG 3.94Å; W64-M115 HydrophobicContact CB-SD 3.72Å; W64-M115 HydrophobicContact CD2-CE 3.41Å; W64-M115 VanDerWaalsContact CD2-CE 3.41Å; W64-M115 HydrophobicContact CD2-SD 3.97Å; W64-M115 HydrophobicContact CE3-CE 2.91Å; W64-M115 HydrophobicContact CE3-SD 3.64Å; W64-M115 HydrophobicContact CG-CE 4.08Å; W64-M115 HydrophobicContact CG-CG 4.28Å; W64-M115 HydrophobicContact CG-SD 4.08Å; W64-M115 HydrophobicContact CH2-CE 3.88Å; W64-M115 HydrophobicContact CZ2-CE 4.33Å; W64-M115 HydrophobicContact CZ3-CE 3.18Å; W64-M115 HydrophobicContact CZ3-SD 4.42Å; W64-E116 CarbonylContact C-O 3.54Å; W64-E116 WeakPolarHBondContact CA-O 3.34Å
65Q90.6Very high73.9Confident50 Ų5078 Ų7823%0.23439%0.394CS..EExtended strand (participates in β ladder)trans-73.5118.1174.4-165.4-71.3-63.300108.8R30 T31 W32 M115 E116R30-Q65 HydrophobicContact CB-CG 4.13Å; T31-Q65 CarbonylContact O-C 3.49Å; T31-Q65 WeakPolarHBondContact O-CA 3.39Å; T31-Q65 PolarHBondContact O-NE2 2.82Å; W32-Q65 HydrophobicContact CD2-CB 4.18Å; W32-Q65 HydrophobicContact CD2-CG 4.47Å; W32-Q65 HydrophobicContact CE3-CB 4.09Å; W32-Q65 HydrophobicContact CH2-CB 4.2Å; W32-Q65 HydrophobicContact CZ2-CB 4.25Å; W32-Q65 HydrophobicContact CZ2-CG 4.33Å; W32-Q65 HydrophobicContact CZ3-CB 4.09Å; Q65-M115 VanDerWaalsContact O-CG 3.28Å; Q65-M115 WeakPolarHBondContact O-CG 3.22Å; Q65-E116 HydrophobicContact CB-CB 3.78Å; Q65-E116 PolarHBondContact N-O 3.45Å
66M87.6Confident72.9Confident71 Ų7181 Ų8135%0.3543%0.425SS..  trans-135137.6-176.8-59.6179.980.100110.5T31 V33 W64 V68 M115T31-M66 WeakPolarHBondContact CB-O 3.41Å; T31-M66 PolarHBondContact O-N 2.93Å; V33-M66 HydrophobicContact CB-CG 4.49Å; V33-M66 HydrophobicContact CB-SD 3.84Å; V33-M66 HydrophobicContact CG1-SD 4.34Å; V33-M66 HydrophobicContact CG2-CB 4.06Å; V33-M66 HydrophobicContact CG2-CG 4.19Å; V33-M66 HydrophobicContact CG2-SD 3.81Å; W64-M66 HydrophobicContact CB-CG 4.25Å; W64-M66 HydrophobicContact CB-SD 4.49Å; W64-M66 PolarHBondContact O-N 2.8Å; M66-V68 HydrophobicContact CB-CG2 3.68Å; M66-V68 PolarHBondContact O-N 2.83Å; M66-M115 HydrophobicContact CE-SD 4.4Å; M66-M115 HydrophobicContact CG-SD 3.63Å; M66-M115 HydrophobicContact SD-SD 4.26Å
67A78.8Confident71.9Confident85 Ų8579.3 Ų79.370%0.70243%0.425SS*.  trans-74.773.9168.300000109.9H69A67-H69 PolarHBondContact O-N 3.28Å; A67-H69 VanDerWaalsContact O-N 3.14Å
68V68.9Low70.7Confident56 Ų5685.3 Ų85.334%0.33945%0.45SS..  trans-79.199.2-179.5-172.20000109.3T31 V33 M66 T70T31-V68 HydrophobicContact CG2-CB 4.3Å; T31-V68 HydrophobicContact CG2-CG2 4.19Å; V33-V68 HydrophobicContact CG2-CG2 3.52Å; M66-V68 HydrophobicContact CB-CG2 3.68Å; M66-V68 PolarHBondContact O-N 2.83Å; V68-T70 PolarHBondContact O-N 2.75Å; V68-T70 VanDerWaalsContact O-N 3.11Å
69H57.8Low69.2Low174 Ų17491.1 Ų91.181%0.80648%0.476SS*.  trans-72.598160.3-60.3-77.6000107.2A67 R71A67-H69 PolarHBondContact O-N 3.28Å; A67-H69 VanDerWaalsContact O-N 3.14Å; H69-R71 PolarHBondContact O-N 2.8Å
70T53.9Low68.1Low112 Ų11292.4 Ų92.469%0.68749%0.485SS*.  trans-33.797.2-17827.10000114.7V68V68-T70 PolarHBondContact O-N 2.75Å; V68-T70 VanDerWaalsContact O-N 3.11Å
71R43.3Very low67Low211 Ų21191.6 Ų91.680%0.79648%0.478SS*.  trans-135.5102.9156.4-159172.8-172.5178.94.2109.2H69H69-R71 PolarHBondContact O-N 2.8Å
72E52Low66.1Low149 Ų14995.7 Ų95.770%0.69651%0.507SS*.  trans51.4120169.2-69.2157.98300117L74E72-L74 PolarHBondContact O-N 2.86Å; E72-L74 VanDerWaalsContact O-N 3.15Å
73P49Very low65.4Low83 Ų8399 Ų9954%0.53952%0.523SS..  trans-61.4122.1-176.624.2-30.7000110.6F75P73-F75 PolarHBondContact O-N 2.86Å
74L53.3Low65.2Low155 Ų15599.6 Ų99.681%0.81253%0.526SS*.SBendtrans-66.28.8179.8-75.7168.4000114.5E72E72-L74 PolarHBondContact O-N 2.86Å; E72-L74 VanDerWaalsContact O-N 3.15Å
75F53.6Low65.1Low108 Ų10896.2 Ų96.247%0.47451%0.513SS..  trans-136.589.9-173.2-56.3-74.7000110P73 S77 F81P73-F75 PolarHBondContact O-N 2.86Å; F75-S77 PolarHBondContact O-N 3.27Å; F75-F81 HydrophobicContact CB-CE2 3.88Å; F75-F81 HydrophobicContact CB-CZ 4.32Å; F75-F81 HydrophobicContact CG-CE2 4.47Å; F75-F81 HydrophobicContact CG-CZ 4.42Å
76S48Very low65.1Low129 Ų12996.9 Ų96.990%0.90252%0.522SS*.  trans-72.4-1.4174.347.20000113.8
77S53.9Low65.5Low68 Ų6895.8 Ų95.848%0.47652%0.519SS..  trans-93.7103.1170.2-169.10000109.4F75 M79 P80F75-S77 PolarHBondContact O-N 3.27Å; S77-M79 PolarHBondContact O-N 2.88Å; S77-P80 VanDerWaalsContact O-CD 3.24Å; S77-P80 WeakPolarHBondContact O-CD 3.28Å
78Q55.8Low66.3Low159 Ų15991.7 Ų91.774%0.74349%0.486SS*.  trans-66.3-15.2172.6-65.2177-8.500112.5F81 S82Q78-F81 PolarHBondContact O-N 2.94Å; Q78-S82 PolarHBondContact O-N 3.32Å
79M53.9Low67.6Low150 Ų15093.1 Ų93.174%0.73949%0.488SS*.THydrogen-bonded Turntrans-70.6-32.9-164-149.384.290.200116.2S77 S82S77-M79 PolarHBondContact O-N 2.88Å; M79-S82 PolarHBondContact O-OG 3.01Å
80P67.6Low69.4Low33 Ų3386.9 Ų86.921%0.21446%0.461CS..THydrogen-bonded Turntrans-81.4-18.7177.431.1-30.3000113.2V37 F39 S77V37-P80 HydrophobicContact CB-CB 3.97Å; V37-P80 HydrophobicContact CG1-CB 4.34Å; V37-P80 HydrophobicContact CG2-CB 4.11Å; F39-P80 HydrophobicContact CE2-CB 4.46Å; S77-P80 VanDerWaalsContact O-CD 3.24Å; S77-P80 WeakPolarHBondContact O-CD 3.28Å
81F70.3Confident71.3Confident16 Ų1686.3 Ų86.37%0.0745%0.447CS..THydrogen-bonded Turntrans-95.2-17.7-173.5-53.6-57.7000114.1P21 G22 T34 V37 F75 Q78 Q83 L84P21-F81 HydrophobicContact CB-CB 3.98Å; P21-F81 HydrophobicContact CB-CD2 4.06Å; P21-F81 HydrophobicContact CB-CG 4.33Å; G22-F81 VanDerWaalsContact CA-CD1 3.44Å; T34-F81 HydrophobicContact CG2-CD1 4.2Å; T34-F81 HydrophobicContact CG2-CE1 3.63Å; V37-F81 HydrophobicContact CG2-CD1 4.17Å; V37-F81 HydrophobicContact CG2-CE1 4.06Å; F75-F81 HydrophobicContact CB-CE2 3.88Å; F75-F81 HydrophobicContact CB-CZ 4.32Å; F75-F81 HydrophobicContact CG-CE2 4.47Å; F75-F81 HydrophobicContact CG-CZ 4.42Å; Q78-F81 PolarHBondContact O-N 2.94Å; F81-Q83 PolarHBondContact O-N 3.32Å; F81-L84 HydrophobicContact CD1-CD1 3.84Å; F81-L84 WeakPolarHBondContact O-CB 3.42Å; F81-L84 PolarHBondContact O-N 3.16Å
82S72.3Confident73.6Confident85 Ų8581.1 Ų81.159%0.59444%0.44SS*.THydrogen-bonded Turntrans-63.7-20.6178.256.60000113.4Q78 M79Q78-S82 PolarHBondContact O-N 3.32Å; M79-S82 PolarHBondContact O-OG 3.01Å
83Q78.4Confident75.3Confident110 Ų11077.2 Ų77.251%0.51444%0.44SS..THydrogen-bonded Turntrans-88.2-5175.7-58.3-62.1-42.100112.8F39 I59 F81F39-Q83 HydrophobicContact CE1-CB 4.25Å; F39-Q83 HydrophobicContact CE1-CG 4.04Å; F39-Q83 HydrophobicContact CZ-CB 4.45Å; F39-Q83 HydrophobicContact CZ-CG 4.23Å; I59-Q83 HydrophobicContact CD1-CB 4.06Å; F81-Q83 PolarHBondContact O-N 3.32Å
84L88.1Confident77.3Confident12 Ų1281.1 Ų81.16%0.06344%0.444CS..SBendtrans-90.1134.5-179.5-56.8-172.9000110.4Y24 T34 V37 I59 V61 F81 W88 W104Y24-L84 HydrophobicContact CE2-CD1 4.46Å; Y24-L84 WeakPolarHBondContact OH-CB 3.4Å; T34-L84 HydrophobicContact CG2-CD1 4.19Å; V37-L84 HydrophobicContact CG2-CD1 4.22Å; I59-L84 HydrophobicContact CG2-CD2 4.46Å; V61-L84 HydrophobicContact CG1-CD1 4.26Å; V61-L84 HydrophobicContact CG2-CD1 4.46Å; V61-L84 HydrophobicContact CG2-CD2 3.43Å; V61-L84 VanDerWaalsContact CG2-CD2 3.43Å; F81-L84 HydrophobicContact CD1-CD1 3.84Å; F81-L84 WeakPolarHBondContact O-CB 3.42Å; F81-L84 PolarHBondContact O-N 3.16Å; L84-W88 HydrophobicContact CB-CH2 4.23Å; L84-W88 HydrophobicContact CB-CZ2 4.47Å; L84-W88 HydrophobicContact CD1-CH2 4.43Å; L84-W104 HydrophobicContact CD2-CH2 4Å
85P90.4Very high79.3Confident5 Ų576.8 Ų76.83%0.03242%0.419CS..  trans-56146.3174.5-28.634.9000112.7Y24 V87 W88 A98 W104Y24-P85 WeakPolarHBondContact CE1-O 3.41Å; Y24-P85 PolarHBondContact OH-O 2.84Å; P85-V87 VanDerWaalsContact C-N 3.26Å; P85-V87 PolarHBondContact O-N 3.31Å; P85-W88 HydrophobicContact CG-CZ2 4.24Å; P85-A98 HydrophobicContact CB-CB 3.58Å; P85-A98 HydrophobicContact CG-CB 3.44Å; P85-A98 VanDerWaalsContact CG-CB 3.44Å; P85-W104 VanDerWaalsContact CD-CZ2 3.45Å; P85-W104 HydrophobicContact CG-CZ2 3.86Å
86P91.2Very high81.3Confident64 Ų6471.7 Ų71.742%0.41640%0.396SS..SBendtrans-72.3-23.1174.429.2-35.1000112.6I18 A99I18-P86 HydrophobicContact CB-CB 4.48Å; I18-P86 WeakPolarHBondContact CB-O 3.29Å; I18-P86 HydrophobicContact CG2-CB 3.6Å; I18-P86 WeakPolarHBondContact CG2-O 3.33Å; I18-P86 PolarHBondContact N-O 3.07Å; P86-A99 HydrophobicContact CG-CB 4Å
87V94.6Very high83.6Confident47 Ų4770.7 Ų70.729%0.28537%0.373SS..EExtended strand (participates in β ladder)trans-140.8135.4-179.5-174.90000109.6L16 P85 A98 A99L16-V87 VanDerWaalsContact O-CA 3.26Å; L16-V87 WeakPolarHBondContact O-CA 3.26Å; P85-V87 VanDerWaalsContact C-N 3.26Å; P85-V87 PolarHBondContact O-N 3.31Å; V87-A98 VanDerWaalsContact O-CA 3.28Å; V87-A98 WeakPolarHBondContact O-CA 3.28Å; V87-A99 HydrophobicContact CB-CB 4.36Å; V87-A99 PolarHBondContact O-N 2.95Å; V87-A99 VanDerWaalsContact O-N 3.16Å
88W96.1Very high85.6Confident0 Ų067.8 Ų67.80%035%0.353CS..EExtended strand (participates in β ladder)trans-116.5135.4162.9-71.4-67.9000109.7R15 L16 Y24 L63 L84 P85 Y96 W104 L120R15-W88 CarbonylContact C-O 3.57Å; R15-W88 VanDerWaalsContact CA-O 3.29Å; R15-W88 WeakPolarHBondContact CA-O 3.41Å; L16-W88 HydrophobicContact CB-CB 4.29Å; L16-W88 HydrophobicContact CB-CE3 3.99Å; L16-W88 HydrophobicContact CD1-CE3 3.93Å; L16-W88 PolarHBondContact N-O 3.02Å; L16-W88 PolarHBondContact O-N 2.85Å; Y24-W88 AromaticContact CD1-CE3 4Å; Y24-W88 HydrophobicContact CD1-CE3 4Å; Y24-W88 AromaticContact CD1-CZ3 3.72Å; Y24-W88 HydrophobicContact CD1-CZ3 3.72Å; Y24-W88 AromaticContact CD2-CZ3 3.94Å; Y24-W88 HydrophobicContact CD2-CZ3 3.94Å; Y24-W88 AromaticContact CE1-CE3 3.79Å; Y24-W88 HydrophobicContact CE1-CE3 3.79Å; Y24-W88 HydrophobicContact CE1-CH2 4.07Å; Y24-W88 AromaticContact CE1-CZ3 3.32Å; Y24-W88 HydrophobicContact CE1-CZ3 3.32Å; Y24-W88 AromaticContact CE2-CH2 3.97Å; Y24-W88 HydrophobicContact CE2-CH2 3.97Å; Y24-W88 AromaticContact CE2-CZ3 3.56Å; Y24-W88 HydrophobicContact CE2-CZ3 3.56Å; Y24-W88 HydrophobicContact CG-CZ3 4.02Å; Y24-W88 AromaticContact CZ-CH2 3.6Å; Y24-W88 AromaticContact CZ-CZ3 3.23Å; L63-W88 HydrophobicContact CD2-CZ3 4.13Å; L84-W88 HydrophobicContact CB-CH2 4.23Å; L84-W88 HydrophobicContact CB-CZ2 4.47Å; L84-W88 HydrophobicContact CD1-CH2 4.43Å; P85-W88 HydrophobicContact CG-CZ2 4.24Å; W88-Y96 HydrophobicContact CB-CD1 3.67Å; W88-Y96 HydrophobicContact CB-CE1 4.49Å; W88-Y96 HydrophobicContact CB-CG 3.89Å; W88-Y96 HydrophobicContact CG-CG 4.44Å; W88-W104 AromaticContact CD1-CD1 3.83Å; W88-W104 AromaticContact CD1-CG 3.94Å; W88-W104 HydrophobicContact CZ2-CD2 4.36Å; W88-W104 HydrophobicContact CZ2-CE3 4.38Å; W88-W104 HydrophobicContact CZ2-CH2 4.49Å; W88-W104 HydrophobicContact CZ2-CZ2 4.47Å; W88-W104 HydrophobicContact CZ2-CZ3 4.45Å; W88-W104 AromaticContact NE1-CD1 3.4Å; W88-W104 AromaticContact NE1-CD2 3.5Å; W88-W104 AromaticContact NE1-CE2 3.6Å; W88-W104 AromaticContact NE1-CG 3.38Å; W88-W104 AromaticContact NE1-NE1 3.55Å; W88-L120 HydrophobicContact CD2-CD1 4.09Å; W88-L120 HydrophobicContact CE3-CD1 4.33Å; W88-L120 HydrophobicContact CZ2-CD1 4.29Å
89Q96.6Very high87.2Confident85 Ų8563.3 Ų63.340%0.39734%0.343SS..EExtended strand (participates in β ladder)trans-121.4127.9174.1-178.1179.710.300109.9D14 R15 Y91 Y96 R97D14-Q89 CarbonylContact O-C 3.56Å; D14-Q89 WeakPolarHBondContact O-CA 3.32Å; R15-Q89 HydrophobicContact CG-CG 4.32Å; Q89-Y91 PolarHBondContact O-N 2.79Å; Q89-Y96 CarbonylContact O-C 3.48Å; Q89-Y96 VanDerWaalsContact O-CA 3.29Å; Q89-Y96 WeakPolarHBondContact O-CA 3.08Å; Q89-R97 PolarHBondContact N-O 3.31Å; Q89-R97 PolarHBondContact O-N 2.93Å
90L95.9Very high88.8Confident44 Ų4461.2 Ų61.223%0.2334%0.335CS..EExtended strand (participates in β ladder)trans-59.2132.7-180-173.165.7000109.2P12 D14 Y96 I106P12-L90 HydrophobicContact CG-CD1 4.31Å; D14-L90 WeakPolarHBondContact O-CB 3.29Å; D14-L90 PolarHBondContact O-N 2.9Å; L90-Y96 HydrophobicContact CB-CD1 4.22Å; L90-Y96 HydrophobicContact CB-CE1 3.83Å; L90-Y96 HydrophobicContact CD1-CE1 4.07Å; L90-Y96 HydrophobicContact CD1-CE2 4.36Å; L90-Y96 VanDerWaalsContact N-CD1 3.3Å; L90-I106 HydrophobicContact CD1-CD1 3.77Å
91Y93.6Very high89.9Confident100 Ų10062.5 Ų62.539%0.39235%0.345SS..EExtended strand (participates in β ladder)trans-128.4146.7-176.4-169-81.2000108.7Q89 G93 K95 R97 F103Q89-Y91 PolarHBondContact O-N 2.79Å; Y91-G93 PolarHBondContact O-N 2.95Å; Y91-K95 WeakPolarHBondContact CA-O 3.32Å; Y91-K95 HydrophobicContact CD1-CD 4.15Å; Y91-K95 HydrophobicContact CD1-CG 4.02Å; Y91-K95 VanDerWaalsContact CE1-CE 3.44Å; Y91-K95 HydrophobicContact CG-CG 4.46Å; Y91-K95 PolarHBondContact N-O 3.15Å; Y91-R97 HydrophobicContact CD2-CB 4.23Å; Y91-F103 AromaticContact CD1-CE1 3.96Å; Y91-F103 HydrophobicContact CD1-CE1 3.96Å; Y91-F103 HydrophobicContact CD2-CE1 4.07Å; Y91-F103 HydrophobicContact CE1-CE1 4.09Å; Y91-F103 HydrophobicContact CE2-CE1 4.2Å; Y91-F103 AromaticContact CG-CE1 3.93Å; Y91-F103 HydrophobicContact CG-CE1 3.93Å
92P90.4Very high90.8Very high101 Ų10162.4 Ų62.466%0.65635%0.346SS*.THydrogen-bonded Turntrans-50138.9179.6-3034.8000113.5K95P92-K95 VanDerWaalsContact O-CE 3.32Å; P92-K95 WeakPolarHBondContact O-CE 3.34Å
93G88.4Confident91.9Very high68 Ų6862.4 Ų62.470%0.70134%0.335SS*.THydrogen-bonded Turntrans89.140.817800000115Y91 K95Y91-G93 PolarHBondContact O-N 2.95Å; G93-K95 PolarHBondContact O-N 2.79Å
94R90.8Very high92.7Very high165 Ų16557.3 Ų57.362%0.62331%0.312SS*.THydrogen-bonded Turntrans52.448.7176.1-61.3-172.7107.2-153.15.4113.3I106R94-I106 HydrophobicContact CB-CB 4.42Å; R94-I106 WeakPolarHBondContact O-CB 3.32Å; R94-I106 WeakPolarHBondContact O-CG1 3.43Å; R94-I106 PolarHBondContact O-N 3.24Å
95K94.9Very high93Very high64 Ų6462.2 Ų62.228%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-142.2158.1177.365.2-169.5-178.5177.30111.2Y91 P92 G93 F103 W104Y91-K95 WeakPolarHBondContact CA-O 3.32Å; Y91-K95 HydrophobicContact CD1-CD 4.15Å; Y91-K95 HydrophobicContact CD1-CG 4.02Å; Y91-K95 VanDerWaalsContact CE1-CE 3.44Å; Y91-K95 HydrophobicContact CG-CG 4.46Å; Y91-K95 PolarHBondContact N-O 3.15Å; P92-K95 VanDerWaalsContact O-CE 3.32Å; P92-K95 WeakPolarHBondContact O-CE 3.34Å; G93-K95 PolarHBondContact O-N 2.79Å; K95-F103 HydrophobicContact CD-CD1 3.91Å; K95-F103 HydrophobicContact CG-CD1 4.31Å; K95-W104 CarbonylContact C-O 3.58Å; K95-W104 WeakPolarHBondContact CA-O 3.44Å; K95-W104 WeakPolarHBondContact CB-O 3.37Å
96Y96.8Very high93.3Very high0 Ų062.3 Ų62.30%034%0.335CS..EExtended strand (participates in β ladder)trans-103.4143.8167.7-73.1-85.4000109.9P13 W88 Q89 L90 F103 W104 I106 L118 L120P13-Y96 WeakPolarHBondContact CD-OH 3.4Å; P13-Y96 WeakPolarHBondContact CG-OH 3.32Å; P13-Y96 WeakPolarHBondContact O-CE1 3.42Å; P13-Y96 VanDerWaalsContact O-CZ 3.24Å; P13-Y96 PolarHBondContact O-OH 2.75Å; W88-Y96 HydrophobicContact CB-CD1 3.67Å; W88-Y96 HydrophobicContact CB-CE1 4.49Å; W88-Y96 HydrophobicContact CB-CG 3.89Å; W88-Y96 HydrophobicContact CG-CG 4.44Å; Q89-Y96 CarbonylContact O-C 3.48Å; Q89-Y96 VanDerWaalsContact O-CA 3.29Å; Q89-Y96 WeakPolarHBondContact O-CA 3.08Å; L90-Y96 HydrophobicContact CB-CD1 4.22Å; L90-Y96 HydrophobicContact CB-CE1 3.83Å; L90-Y96 HydrophobicContact CD1-CE1 4.07Å; L90-Y96 HydrophobicContact CD1-CE2 4.36Å; L90-Y96 VanDerWaalsContact N-CD1 3.3Å; Y96-F103 CarbonylContact O-C 3.59Å; Y96-F103 WeakPolarHBondContact O-CA 3.42Å; Y96-W104 PolarHBondContact N-O 2.62Å; Y96-W104 PolarHBondContact O-N 3.2Å; Y96-I106 HydrophobicContact CD2-CD1 3.91Å; Y96-I106 HydrophobicContact CD2-CG1 3.69Å; Y96-I106 HydrophobicContact CE2-CD1 3.42Å; Y96-I106 VanDerWaalsContact CE2-CD1 3.42Å; Y96-I106 HydrophobicContact CE2-CG1 3.56Å; Y96-L118 HydrophobicContact CE2-CD1 4.43Å; Y96-L118 HydrophobicContact CE2-CD2 4.04Å; Y96-L120 HydrophobicContact CD2-CD1 4.22Å; Y96-L120 HydrophobicContact CD2-CD2 3.55Å; Y96-L120 HydrophobicContact CE2-CD2 3.76Å
97R96.2Very high93.4Very high109 Ų10962.8 Ų62.841%0.41134%0.336SS..EExtended strand (participates in β ladder)trans-97.8125.1162.9-172.5-179.4-178.1-162.2-1.4108.3Q89 Y91 S101 F103Q89-R97 PolarHBondContact N-O 3.31Å; Q89-R97 PolarHBondContact O-N 2.93Å; Y91-R97 HydrophobicContact CD2-CB 4.23Å; R97-S101 PolarHBondContact NH2-OG 2.96Å; R97-F103 HydrophobicContact CB-CD1 4.28Å; R97-F103 HydrophobicContact CB-CE1 4.04Å; R97-F103 HydrophobicContact CG-CE1 4.11Å; R97-F103 HydrophobicContact CG-CZ 4.48Å
98A94.6Very high93.3Very high7 Ų764 Ų646%0.05834%0.341CS..EExtended strand (participates in β ladder)trans-86.6166.9177.500000112.5P85 V87 D100 S101 S102P85-A98 HydrophobicContact CB-CB 3.58Å; P85-A98 HydrophobicContact CG-CB 3.44Å; P85-A98 VanDerWaalsContact CG-CB 3.44Å; V87-A98 VanDerWaalsContact O-CA 3.28Å; V87-A98 WeakPolarHBondContact O-CA 3.28Å; A98-D100 WeakPolarHBondContact CB-OD1 3.33Å; A98-D100 PolarHBondContact O-N 3.26Å; A98-S101 WeakPolarHBondContact O-CA 3.39Å; A98-S101 PolarHBondContact O-N 3.48Å; A98-S102 VanDerWaalsContact CB-OG 3.32Å; A98-S102 WeakPolarHBondContact CB-OG 3.21Å; A98-S102 PolarHBondContact N-O 3.26Å
99A89.3Confident93.1Very high64 Ų6465.2 Ų65.253%0.52935%0.347SS..THydrogen-bonded Turntrans-60.6-31178.300000113.7P86 V87 S101P86-A99 HydrophobicContact CG-CB 4Å; V87-A99 HydrophobicContact CB-CB 4.36Å; V87-A99 PolarHBondContact O-N 2.95Å; V87-A99 VanDerWaalsContact O-N 3.16Å; A99-S101 PolarHBondContact O-N 3.04Å
100D88.4Confident92.8Very high106 Ų10661.8 Ų61.857%0.56733%0.334SS*.THydrogen-bonded Turntrans-79.98.7173.663.3-3.1000113A98 S102A98-D100 WeakPolarHBondContact CB-OD1 3.33Å; A98-D100 PolarHBondContact O-N 3.26Å; D100-S102 VanDerWaalsContact CG-OG 3.31Å; D100-S102 PolarHBondContact O-N 3.48Å; D100-S102 VanDerWaalsContact OD1-CB 3.27Å; D100-S102 WeakPolarHBondContact OD1-CB 3.38Å; D100-S102 PolarHBondContact OD1-N 2.84Å; D100-S102 PolarHBondContact OD1-OG 2.75Å; D100-S102 PolarHBondContact OD2-OG 3.32Å
101S89.8Confident92.3Very high60 Ų6064.2 Ų64.242%0.4234%0.344SS..SBendtrans64.67.9-173.1-62.30000115.8R97 A98 A99R97-S101 PolarHBondContact NH2-OG 2.96Å; A98-S101 WeakPolarHBondContact O-CA 3.39Å; A98-S101 PolarHBondContact O-N 3.48Å; A99-S101 PolarHBondContact O-N 3.04Å
102S90.9Very high91.7Very high15 Ų1562.8 Ų62.811%0.10534%0.342CS..  trans-66.8149.3170.665.90000111.1A98 D100 W104A98-S102 VanDerWaalsContact CB-OG 3.32Å; A98-S102 WeakPolarHBondContact CB-OG 3.21Å; A98-S102 PolarHBondContact N-O 3.26Å; D100-S102 VanDerWaalsContact CG-OG 3.31Å; D100-S102 PolarHBondContact O-N 3.48Å; D100-S102 VanDerWaalsContact OD1-CB 3.27Å; D100-S102 WeakPolarHBondContact OD1-CB 3.38Å; D100-S102 PolarHBondContact OD1-N 2.84Å; D100-S102 PolarHBondContact OD1-OG 2.75Å; D100-S102 PolarHBondContact OD2-OG 3.32Å; S102-W104 PolarHBondContact OG-NE1 2.92Å
103F93.8Very high91.1Very high84 Ų8465.4 Ų65.437%0.36835%0.351SS..EExtended strand (participates in β ladder)trans-102.8133.8174.2-71.2-78.8000110.4Y91 K95 Y96 R97Y91-F103 AromaticContact CD1-CE1 3.96Å; Y91-F103 HydrophobicContact CD1-CE1 3.96Å; Y91-F103 HydrophobicContact CD2-CE1 4.07Å; Y91-F103 HydrophobicContact CE1-CE1 4.09Å; Y91-F103 HydrophobicContact CE2-CE1 4.2Å; Y91-F103 AromaticContact CG-CE1 3.93Å; Y91-F103 HydrophobicContact CG-CE1 3.93Å; K95-F103 HydrophobicContact CD-CD1 3.91Å; K95-F103 HydrophobicContact CG-CD1 4.31Å; Y96-F103 CarbonylContact O-C 3.59Å; Y96-F103 WeakPolarHBondContact O-CA 3.42Å; R97-F103 HydrophobicContact CB-CD1 4.28Å; R97-F103 HydrophobicContact CB-CE1 4.04Å; R97-F103 HydrophobicContact CG-CE1 4.11Å; R97-F103 HydrophobicContact CG-CZ 4.48Å
104W95.3Very high90.7Very high3 Ų367.3 Ų67.31%0.01135%0.353CS..EExtended strand (participates in β ladder)trans-119.5115.8-179.8-69.970.6000108.8I59 V61 L84 P85 W88 K95 Y96 S102 L120 T121 Y122I59-W104 HydrophobicContact CB-CH2 4.02Å; I59-W104 HydrophobicContact CB-CZ3 4.27Å; I59-W104 HydrophobicContact CD1-CH2 4.4Å; I59-W104 HydrophobicContact CG2-CH2 4.01Å; I59-W104 HydrophobicContact CG2-CZ3 4.22Å; V61-W104 HydrophobicContact CG2-CH2 4.25Å; V61-W104 HydrophobicContact CG2-CZ3 3.71Å; L84-W104 HydrophobicContact CD2-CH2 4Å; P85-W104 VanDerWaalsContact CD-CZ2 3.45Å; P85-W104 HydrophobicContact CG-CZ2 3.86Å; W88-W104 AromaticContact CD1-CD1 3.83Å; W88-W104 AromaticContact CD1-CG 3.94Å; W88-W104 HydrophobicContact CZ2-CD2 4.36Å; W88-W104 HydrophobicContact CZ2-CE3 4.38Å; W88-W104 HydrophobicContact CZ2-CH2 4.49Å; W88-W104 HydrophobicContact CZ2-CZ2 4.47Å; W88-W104 HydrophobicContact CZ2-CZ3 4.45Å; W88-W104 AromaticContact NE1-CD1 3.4Å; W88-W104 AromaticContact NE1-CD2 3.5Å; W88-W104 AromaticContact NE1-CE2 3.6Å; W88-W104 AromaticContact NE1-CG 3.38Å; W88-W104 AromaticContact NE1-NE1 3.55Å; K95-W104 CarbonylContact C-O 3.58Å; K95-W104 WeakPolarHBondContact CA-O 3.44Å; K95-W104 WeakPolarHBondContact CB-O 3.37Å; Y96-W104 PolarHBondContact N-O 2.62Å; Y96-W104 PolarHBondContact O-N 3.2Å; S102-W104 PolarHBondContact OG-NE1 2.92Å; W104-L120 HydrophobicContact CE3-CB 3.93Å; W104-T121 CarbonylContact C-O 3.55Å; W104-T121 WeakPolarHBondContact CA-O 3.42Å; W104-Y122 HydrophobicContact CH2-CG 4.48Å; W104-Y122 HydrophobicContact CZ2-CG 4.13Å
105E95.5Very high90.5Very high116 Ų11661.5 Ų61.554%0.54233%0.334SS..EExtended strand (participates in β ladder)trans-76.6137.2179.7-172.4171.788.200110.9V107 L120 T121E105-V107 PolarHBondContact O-N 3.06Å; E105-L120 CarbonylContact O-C 3.54Å; E105-L120 VanDerWaalsContact O-CA 3.29Å; E105-L120 WeakPolarHBondContact O-CA 3.49Å; E105-T121 PolarHBondContact N-O 3.12Å; E105-T121 PolarHBondContact O-N 3.41Å
106I95.3Very high90.3Very high7 Ų759.5 Ų59.54%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-80.896.7170-54.8173.2000107.4P12 L90 R94 Y96 H109 L118 L120P12-I106 HydrophobicContact CB-CD1 4.15Å; P12-I106 HydrophobicContact CG-CD1 4.03Å; L90-I106 HydrophobicContact CD1-CD1 3.77Å; R94-I106 HydrophobicContact CB-CB 4.42Å; R94-I106 WeakPolarHBondContact O-CB 3.32Å; R94-I106 WeakPolarHBondContact O-CG1 3.43Å; R94-I106 PolarHBondContact O-N 3.24Å; Y96-I106 HydrophobicContact CD2-CD1 3.91Å; Y96-I106 HydrophobicContact CD2-CG1 3.69Å; Y96-I106 HydrophobicContact CE2-CD1 3.42Å; Y96-I106 VanDerWaalsContact CE2-CD1 3.42Å; Y96-I106 HydrophobicContact CE2-CG1 3.56Å; I106-H109 HydrophobicContact CG2-CB 4.09Å; I106-L118 HydrophobicContact CG2-CD1 3.75Å; I106-L120 HydrophobicContact CB-CD2 4.45Å; I106-L120 HydrophobicContact CG1-CD2 3.88Å
107V93.9Very high90.1Very high74 Ų7460.3 Ų60.345%0.44833%0.329SS..EExtended strand (participates in β ladder)trans-73.3-42.7179.6177.30000110.3E105 V119 T121E105-V107 PolarHBondContact O-N 3.06Å; V107-V119 HydrophobicContact CB-CB 4.42Å; V107-V119 HydrophobicContact CB-CG1 4.21Å; V107-V119 PolarHBondContact N-O 2.98Å; V107-T121 VanDerWaalsContact CG2-OG1 3.28Å; V107-T121 WeakPolarHBondContact CG2-OG1 3.37Å
108D91.9Very high90.1Very high71 Ų7155.1 Ų55.138%0.3831%0.309SS..EExtended strand (participates in β ladder)trans-145.5145178.7-169.859.5000110.7V119D108-V119 HydrophobicContact CB-CB 3.96Å; D108-V119 HydrophobicContact CB-CG2 3.87Å; D108-V119 PolarHBondContact N-O 3.44Å; D108-V119 PolarHBondContact O-N 3.34Å
109H92.6Very high90.1Very high27 Ų2755.1 Ų55.113%0.12531%0.309CS..EExtended strand (participates in β ladder)trans-144.6107.5171.6179.2-134.1000107G10 P12 I106 E116 Q117 L118G10-H109 PolarHBondContact O-CE1 3.22Å; G10-H109 VanDerWaalsContact O-CE1 3.22Å; P12-H109 VanDerWaalsContact CA-CE1 3.45Å; P12-H109 WeakPolarHBondContact CA-CE1 3.39Å; I106-H109 HydrophobicContact CG2-CB 4.09Å; H109-E116 IonicContact CD2-OE1 3.58Å; H109-E116 IonicContact CE1-OE1 3.75Å; H109-E116 IonicContact NE2-OE1 3.6Å; H109-E116 PolarHBondContact NE2-OE1 3.29Å; H109-Q117 CarbonylContact C-O 3.58Å; H109-Q117 WeakPolarHBondContact CA-O 3.36Å; H109-Q117 PolarHBondContact CD2-O 3.28Å; H109-L118 HydrophobicContact CB-CD1 4.1Å
110G89.8Confident90.4Very high12 Ų1252 Ų5212%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-150.2179.6-156.900000112L9 E116 Q117L9-G110 WeakPolarHBondContact CD1-O 3.5Å; G110-E116 CarbonylContact O-C 3.59Å; G110-E116 WeakPolarHBondContact O-CA 3.27Å; G110-Q117 PolarHBondContact N-O 2.91Å; G110-Q117 PolarHBondContact O-N 3.1Å
111Q86.8Confident90.7Very high96 Ų9647.9 Ų47.945%0.44926%0.262SS..EExtended strand (participates in β ladder)trans-128.9126.3174-173.5178.8-42.300107.6L9 M115L9-Q111 HydrophobicContact CD1-CB 4.02Å; L9-Q111 HydrophobicContact CD2-CB 3.86Å; L9-Q111 HydrophobicContact CG-CB 4.4Å; Q111-M115 CarbonylContact C-O 3.43Å; Q111-M115 WeakPolarHBondContact CA-O 3.16Å
112I80.7Confident90.8Very high70 Ų7046.6 Ų46.636%0.35925%0.248SC..EExtended strand (participates in β ladder)trans-121.2122.4177.1-54.9-167.3000107.5S114 M115 Q117I112-S114 PolarHBondContact O-N 2.99Å; I112-S114 VanDerWaalsContact O-N 3.09Å; I112-M115 PolarHBondContact N-O 3.45Å; I112-M115 WeakPolarHBondContact O-CB 3.44Å; I112-M115 PolarHBondContact O-N 3.2Å; I112-Q117 HydrophobicContact CG1-CB 4.5Å
113D77.8Confident90.6Very high156 Ų15652.3 Ų52.383%0.83427%0.273SS*.THydrogen-bonded Turntrans49.339.1177.6-72.7-70.5000114.3
114S80.6Confident90Very high108 Ų10849.5 Ų49.576%0.75526%0.263SS*.THydrogen-bonded Turntrans80.52.7-176.4-400000116.8I112I112-S114 PolarHBondContact O-N 2.99Å; I112-S114 VanDerWaalsContact O-N 3.09Å
115M85.4Confident88.8Confident43 Ų4358.3 Ų58.321%0.21230%0.304CS..EExtended strand (participates in β ladder)trans-107.7125.2-179.9-170.8157.542.900110.7W64 Q65 M66 Q111 I112 Q117W64-M115 HydrophobicContact CB-CE 4.37Å; W64-M115 HydrophobicContact CB-CG 3.94Å; W64-M115 HydrophobicContact CB-SD 3.72Å; W64-M115 HydrophobicContact CD2-CE 3.41Å; W64-M115 VanDerWaalsContact CD2-CE 3.41Å; W64-M115 HydrophobicContact CD2-SD 3.97Å; W64-M115 HydrophobicContact CE3-CE 2.91Å; W64-M115 HydrophobicContact CE3-SD 3.64Å; W64-M115 HydrophobicContact CG-CE 4.08Å; W64-M115 HydrophobicContact CG-CG 4.28Å; W64-M115 HydrophobicContact CG-SD 4.08Å; W64-M115 HydrophobicContact CH2-CE 3.88Å; W64-M115 HydrophobicContact CZ2-CE 4.33Å; W64-M115 HydrophobicContact CZ3-CE 3.18Å; W64-M115 HydrophobicContact CZ3-SD 4.42Å; Q65-M115 VanDerWaalsContact O-CG 3.28Å; Q65-M115 WeakPolarHBondContact O-CG 3.22Å; M66-M115 HydrophobicContact CE-SD 4.4Å; M66-M115 HydrophobicContact CG-SD 3.63Å; M66-M115 HydrophobicContact SD-SD 4.26Å; Q111-M115 CarbonylContact C-O 3.43Å; Q111-M115 WeakPolarHBondContact CA-O 3.16Å; I112-M115 PolarHBondContact N-O 3.45Å; I112-M115 WeakPolarHBondContact O-CB 3.44Å; I112-M115 PolarHBondContact O-N 3.2Å; M115-Q117 PolarHBondContact O-N 2.54Å
116E91.6Very high87.3Confident21 Ų2161.3 Ų61.310%0.09831%0.311CS..EExtended strand (participates in β ladder)trans-67.1130.2175.6-167.1178.8151.300109.3L9 R30 W32 W64 Q65 H109 G110L9-E116 HydrophobicContact CD2-CG 4.3Å; R30-E116 IonicContact CZ-OE2 3.26Å; R30-E116 IonicContact NH1-OE1 3.32Å; R30-E116 IonicContact NH1-OE2 2.75Å; R30-E116 PolarHBondContact NH1-OE2 2.81Å; W32-E116 HydrophobicContact CH2-CB 4.31Å; W32-E116 HydrophobicContact CH2-CG 3.72Å; W32-E116 VanDerWaalsContact CH2-OE1 3.26Å; W32-E116 WeakPolarHBondContact CH2-OE1 3.44Å; W32-E116 HydrophobicContact CZ3-CG 4.38Å; W64-E116 CarbonylContact C-O 3.54Å; W64-E116 WeakPolarHBondContact CA-O 3.34Å; Q65-E116 HydrophobicContact CB-CB 3.78Å; Q65-E116 PolarHBondContact N-O 3.45Å; H109-E116 IonicContact CD2-OE1 3.58Å; H109-E116 IonicContact CE1-OE1 3.75Å; H109-E116 IonicContact NE2-OE1 3.6Å; H109-E116 PolarHBondContact NE2-OE1 3.29Å; G110-E116 CarbonylContact O-C 3.59Å; G110-E116 WeakPolarHBondContact O-CA 3.27Å
117Q93Very high85.4Confident17 Ų1770.8 Ų70.88%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-117136.4179.7175.2173.3125.800109.5L63 H109 G110 I112 M115 V119L63-Q117 CarbonylContact O-C 3.56Å; L63-Q117 WeakPolarHBondContact O-CA 3.24Å; H109-Q117 CarbonylContact C-O 3.58Å; H109-Q117 WeakPolarHBondContact CA-O 3.36Å; H109-Q117 PolarHBondContact CD2-O 3.28Å; G110-Q117 PolarHBondContact N-O 2.91Å; G110-Q117 PolarHBondContact O-N 3.1Å; I112-Q117 HydrophobicContact CG1-CB 4.5Å; M115-Q117 PolarHBondContact O-N 2.54Å; Q117-V119 HydrophobicContact CG-CG2 3.85Å
118L94.8Very high83.3Confident0 Ų078.3 Ų78.30%039%0.39CS..EExtended strand (participates in β ladder)trans-123126.2169.5-178.967.7000108.8P12 P13 L16 W32 L63 Y96 I106 H109 L120P12-L118 HydrophobicContact CB-CD1 4.41Å; P13-L118 HydrophobicContact CG-CD2 4.28Å; L16-L118 HydrophobicContact CD1-CD2 3.85Å; W32-L118 HydrophobicContact CE3-CB 4.14Å; W32-L118 HydrophobicContact CH2-CB 4.05Å; W32-L118 HydrophobicContact CZ3-CB 3.5Å; W32-L118 VanDerWaalsContact CZ3-CB 3.5Å; L63-L118 HydrophobicContact CB-CB 4.4Å; L63-L118 PolarHBondContact N-O 3.25Å; L63-L118 PolarHBondContact O-N 2.98Å; Y96-L118 HydrophobicContact CE2-CD1 4.43Å; Y96-L118 HydrophobicContact CE2-CD2 4.04Å; I106-L118 HydrophobicContact CG2-CD1 3.75Å; H109-L118 HydrophobicContact CB-CD1 4.1Å; L118-L120 HydrophobicContact CD1-CD2 4.11Å; L118-L120 HydrophobicContact CD2-CD1 4.38Å; L118-L120 HydrophobicContact CD2-CD2 4.14Å; L118-L120 HydrophobicContact CD2-CG 4.33Å; L118-L120 HydrophobicContact CG-CD2 3.91Å; L118-L120 HydrophobicContact CG-CG 4.17Å
119V94.8Very high82.9Confident7 Ų778.7 Ų78.74%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-114.3119.7178.2-172.20000109.3T60 V61 H62 V107 D108 Q117T60-V119 HydrophobicContact CG2-CG1 3.85Å; V61-V119 CarbonylContact O-C 3.6Å; V61-V119 WeakPolarHBondContact O-CA 3.17Å; H62-V119 WeakPolarHBondContact ND1-CG2 3.18Å; V107-V119 HydrophobicContact CB-CB 4.42Å; V107-V119 HydrophobicContact CB-CG1 4.21Å; V107-V119 PolarHBondContact N-O 2.98Å; D108-V119 HydrophobicContact CB-CB 3.96Å; D108-V119 HydrophobicContact CB-CG2 3.87Å; D108-V119 PolarHBondContact N-O 3.44Å; D108-V119 PolarHBondContact O-N 3.34Å; Q117-V119 HydrophobicContact CG-CG2 3.85Å
120L95.4Very high82.4Confident0 Ų081.4 Ų81.40%040%0.404CS..EExtended strand (participates in β ladder)trans-113.9138.2-178.4-56.9-177.1000110.3T60 V61 L63 W88 Y96 W104 E105 I106 L118T60-L120 CarbonylContact C-O 3.58Å; T60-L120 WeakPolarHBondContact CA-O 3.24Å; V61-L120 PolarHBondContact N-O 2.95Å; V61-L120 PolarHBondContact O-N 3.37Å; L63-L120 HydrophobicContact CD1-CD1 3.91Å; L63-L120 HydrophobicContact CD1-CG 4.04Å; W88-L120 HydrophobicContact CD2-CD1 4.09Å; W88-L120 HydrophobicContact CE3-CD1 4.33Å; W88-L120 HydrophobicContact CZ2-CD1 4.29Å; Y96-L120 HydrophobicContact CD2-CD1 4.22Å; Y96-L120 HydrophobicContact CD2-CD2 3.55Å; Y96-L120 HydrophobicContact CE2-CD2 3.76Å; W104-L120 HydrophobicContact CE3-CB 3.93Å; E105-L120 CarbonylContact O-C 3.54Å; E105-L120 VanDerWaalsContact O-CA 3.29Å; E105-L120 WeakPolarHBondContact O-CA 3.49Å; I106-L120 HydrophobicContact CB-CD2 4.45Å; I106-L120 HydrophobicContact CG1-CD2 3.88Å; L118-L120 HydrophobicContact CD1-CD2 4.11Å; L118-L120 HydrophobicContact CD2-CD1 4.38Å; L118-L120 HydrophobicContact CD2-CD2 4.14Å; L118-L120 HydrophobicContact CD2-CG 4.33Å; L118-L120 HydrophobicContact CG-CD2 3.91Å; L118-L120 HydrophobicContact CG-CG 4.17Å
121T94.3Very high82Confident18 Ų1885.3 Ų85.311%0.1142%0.42CS..EExtended strand (participates in β ladder)trans-125.3124.9172.1-65.10000111.4I59 T60 W104 E105 V107 Q123I59-T121 CarbonylContact O-C 3.52Å; I59-T121 VanDerWaalsContact O-CA 3.29Å; I59-T121 WeakPolarHBondContact O-CA 3.07Å; T60-T121 PolarHBondContact OG1-OG1 3.29Å; W104-T121 CarbonylContact C-O 3.55Å; W104-T121 WeakPolarHBondContact CA-O 3.42Å; E105-T121 PolarHBondContact N-O 3.12Å; E105-T121 PolarHBondContact O-N 3.41Å; V107-T121 VanDerWaalsContact CG2-OG1 3.28Å; V107-T121 WeakPolarHBondContact CG2-OG1 3.37Å; T121-Q123 HydrophobicContact CG2-CG 4.18Å
122Y91.8Very high81.7Confident34 Ų3484.6 Ų84.613%0.13342%0.418CS..EExtended strand (participates in β ladder)trans-89.7132.1165.7171.5-115.8000110.1E56 S58 I59 W104 P124E56-Y122 PolarHBondContact OE2-OH 3.17Å; E56-Y122 VanDerWaalsContact OE2-OH 3.1Å; S58-Y122 WeakPolarHBondContact CA-O 3.45Å; I59-Y122 HydrophobicContact CD1-CD1 4.23Å; I59-Y122 HydrophobicContact CG1-CD1 4.22Å; I59-Y122 PolarHBondContact N-O 2.91Å; I59-Y122 VanDerWaalsContact N-O 3.07Å; I59-Y122 PolarHBondContact O-N 2.86Å; W104-Y122 HydrophobicContact CH2-CG 4.48Å; W104-Y122 HydrophobicContact CZ2-CG 4.13Å; Y122-P124 HydrophobicContact CE1-CB 4.23Å
123Q86.9Confident81.7Confident134 Ų13485.6 Ų85.663%0.62642%0.422SS*.  trans-121.2124.3168.8-65.1-174.8-11.700108.4T121T121-Q123 HydrophobicContact CG2-CG 4.18Å
124P81.1Confident82Confident25 Ų2580.9 Ų80.916%0.16239%0.394CS..  trans-65.3141.3175.329-35.6000109.9E56 Y122 R126E56-P124 HydrophobicContact CB-CB 3.88Å; E56-P124 HydrophobicContact CB-CG 4.39Å; E56-P124 WeakPolarHBondContact O-CG 3.48Å; Y122-P124 HydrophobicContact CE1-CB 4.23Å; P124-R126 PolarHBondContact O-N 3.25Å
125E71.3Confident82.1Confident188 Ų18878.9 Ų78.988%0.87937%0.368SS*.  trans-64.7105.6173.5-65.6-169.4105.500109K127E125-K127 PolarHBondContact O-N 3.13Å
126R64.3Low81.9Confident180 Ų18081.7 Ų81.768%0.67938%0.38SS*.  trans-70.2104.8171.2-70-175.1172.7151.21.8107.8E45 P124 D128E45-R126 VanDerWaalsContact CD-NH2 3.3Å; E45-R126 IonicContact OE1-CZ 2.92Å; E45-R126 IonicContact OE1-NE 2.95Å; E45-R126 PolarHBondContact OE1-NE 3.43Å; E45-R126 IonicContact OE1-NH2 3.26Å; E45-R126 PolarHBondContact OE1-NH2 3Å; E45-R126 IonicContact OE2-NH2 3.79Å; E45-R126 PolarHBondContact OE2-NH2 3.34Å; P124-R126 PolarHBondContact O-N 3.25Å; R126-D128 PolarHBondContact O-N 2.96Å
127K55Low81.1Confident206 Ų20686.8 Ų86.890%0.89640%0.404SS*.  trans-66.8109.9160.5-81.6-171.8170.8-164.40107.6E125E125-K127 PolarHBondContact O-N 3.13Å
128D49.9Very low80Confident232 Ų23293.1 Ų93.1100%1.24143%0.434SS*.  trans-64.40165.9-168.8-112.4000110.5R126R126-D128 PolarHBondContact O-N 2.96Å

Retrieved 128 of 128 residues in 24.9 ms (Link to these results)

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