A0A087XSH4_POEFO Loading...

EF-hand calcium-binding domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A087XSH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.1Very low36.4Very low219 Ų219149.7 Ų149.7100%1.07979%0.785SS**  01160-76.2-180172.200107.4F3M1-F3 HydrophobicContact CB-CE2 4.35Å; M1-F3 WeakPolarHBondContact O-CD2 3.45Å; M1-F3 PolarHBondContact O-N 3.42Å
2S30.8Very low38.7Very low129 Ų129144.8 Ų144.890%0.90276%0.76SS**  trans-74107-177-46.20000109Q4S2-Q4 PolarHBondContact O-N 2.9Å
3F28.1Very low40.8Very low188 Ų188137.4 Ų137.483%0.82572%0.722SS**  trans-83113.6173.2-78.2-87.1000108.3M1 E5M1-F3 HydrophobicContact CB-CE2 4.35Å; M1-F3 WeakPolarHBondContact O-CD2 3.45Å; M1-F3 PolarHBondContact O-N 3.42Å; F3-E5 PolarHBondContact O-N 3.06Å
4Q27.3Very low42.4Very low190 Ų190136.4 Ų136.489%0.88871%0.711SS**  trans-52.3125.5167.8-83.4168.9-60.800109.1S2 S6S2-Q4 PolarHBondContact O-N 2.9Å; Q4-S6 PolarHBondContact O-N 2.69Å
5E28.8Very low44.5Very low181 Ų181129.8 Ų129.885%0.84668%0.679SS**  trans-53.8107.6163.6-78.8174.6144.800108F3 T7F3-E5 PolarHBondContact O-N 3.06Å; E5-T7 PolarHBondContact O-N 2.75Å
6S28.8Very low46.8Very low121 Ų121123.9 Ų123.985%0.84665%0.646SS**  trans-74.287166.9-1790000107.3Q4 R8Q4-S6 PolarHBondContact O-N 2.69Å; S6-R8 PolarHBondContact O-N 3.13Å
7T36.1Very low48.7Very low120 Ų120120.4 Ų120.474%0.73662%0.623SS**PPolyproline II helixtrans-60.3117.9163.133.80000108E5E5-T7 PolarHBondContact O-N 2.75Å
8R40.9Very low50.2Low220 Ų220118.6 Ų118.683%0.8361%0.612SS**PPolyproline II helixtrans-50.8136.2166.4-167.2-177.7-158.1-176.73.6108S6S6-R8 PolarHBondContact O-N 3.13Å
9P40.2Very low52Low108 Ų108114.9 Ų114.970%0.70159%0.592SS**PPolyproline II helixtrans-56.3133172.222.6-31000108.4D11P9-D11 PolarHBondContact O-N 3.37Å
10P46.7Very low53.6Low61 Ų61109.2 Ų109.240%0.39656%0.563SS.*PPolyproline II helixtrans-58.7139178.323.3-31.4000109.5E14 V15P10-E14 HydrophobicContact CB-CB 4.11Å; P10-E14 HydrophobicContact CB-CG 4.11Å; P10-V15 HydrophobicContact CB-CG2 3.83Å; P10-V15 HydrophobicContact CG-CG2 3.64Å
11D61.9Low54.8Low110 Ų110107.1 Ų107.159%0.58855%0.548SS*.PPolyproline II helixtrans-61.9154.7173.9-165.8-1.6000109.9P9 D13 E14 V15P9-D11 PolarHBondContact O-N 3.37Å; D11-D13 PolarHBondContact O-N 2.95Å; D11-D13 VanDerWaalsContact O-N 3.13Å; D11-E14 HydrophobicContact CB-CB 4.4Å; D11-E14 CarbonylContact O-C 3.37Å; D11-E14 WeakPolarHBondContact O-CA 2.82Å; D11-E14 WeakPolarHBondContact O-CB 3.24Å; D11-E14 PolarHBondContact O-N 3.37Å; D11-V15 WeakPolarHBondContact O-CG2 3.27Å; D11-V15 PolarHBondContact O-N 3.13Å
12D63.2Low57.1Low91 Ų9196.8 Ų96.849%0.48750%0.497SS..Hα-helixtrans-59.3-31.8-174.7-76.8-22.9000111.9V15 F16 N362D12-V15 PolarHBondContact O-N 3.34Å; D12-F16 WeakPolarHBondContact O-CB 3.33Å; D12-F16 PolarHBondContact O-N 2.69Å; D12-N362 WeakPolarHBondContact CB-ND2 3.38Å; D12-N362 PolarHBondContact OD2-ND2 3.42Å
13D66.5Low59.8Low48 Ų4890.7 Ų90.726%0.25746%0.455SS..Hα-helixtrans-68.4-41.3172.7-75.24000112D11 V15 F16 Y17 N359D11-D13 PolarHBondContact O-N 2.95Å; D11-D13 VanDerWaalsContact O-N 3.13Å; D13-V15 VanDerWaalsContact C-N 3.31Å; D13-V15 PolarHBondContact O-N 3.07Å; D13-F16 PolarHBondContact O-N 2.85Å; D13-Y17 WeakPolarHBondContact O-CB 3.37Å; D13-Y17 WeakPolarHBondContact O-CD2 3.46Å; D13-Y17 PolarHBondContact O-N 2.97Å; D13-N359 PolarHBondContact OD1-ND2 3.36Å
14E63.4Low62.5Low124 Ų12481.7 Ų81.758%0.57942%0.415SS*.Hα-helixtrans-65-39.4176.3-168.7174.1-16800110.6P10 D11 M18P10-E14 HydrophobicContact CB-CB 4.11Å; P10-E14 HydrophobicContact CB-CG 4.11Å; D11-E14 HydrophobicContact CB-CB 4.4Å; D11-E14 CarbonylContact O-C 3.37Å; D11-E14 WeakPolarHBondContact O-CA 2.82Å; D11-E14 WeakPolarHBondContact O-CB 3.24Å; D11-E14 PolarHBondContact O-N 3.37Å; E14-M18 WeakPolarHBondContact O-CB 3.31Å; E14-M18 PolarHBondContact O-N 2.92Å
15V74.1Confident64.9Low37 Ų3774.5 Ų74.522%0.22438%0.383CS..Hα-helixtrans-63.7-46.7172.5176.70000111P10 D11 D12 D13 M18 Q19P10-V15 HydrophobicContact CB-CG2 3.83Å; P10-V15 HydrophobicContact CG-CG2 3.64Å; D11-V15 WeakPolarHBondContact O-CG2 3.27Å; D11-V15 PolarHBondContact O-N 3.13Å; D12-V15 PolarHBondContact O-N 3.34Å; D13-V15 VanDerWaalsContact C-N 3.31Å; D13-V15 PolarHBondContact O-N 3.07Å; V15-M18 PolarHBondContact O-N 2.94Å; V15-Q19 VanDerWaalsContact O-CG 3.28Å; V15-Q19 WeakPolarHBondContact O-CG 3.41Å; V15-Q19 PolarHBondContact O-N 3.09Å
16F81.7Confident67.5Low36 Ų3667.1 Ų67.116%0.15835%0.353CS..Hα-helixtrans-60.1-48.3178.2173-98.3000112D12 D13 M18 Q19 C20 L77 K78D12-F16 WeakPolarHBondContact O-CB 3.33Å; D12-F16 PolarHBondContact O-N 2.69Å; D13-F16 PolarHBondContact O-N 2.85Å; F16-M18 VanDerWaalsContact C-N 3.34Å; F16-M18 PolarHBondContact O-N 2.81Å; F16-Q19 WeakPolarHBondContact O-CB 3.36Å; F16-Q19 PolarHBondContact O-N 3.29Å; F16-C20 VanDerWaalsContact CE1-SG 3.51Å; F16-C20 WeakPolarHBondContact CZ-SG 3.14Å; F16-C20 PolarHBondContact O-N 3.36Å; F16-C20 PolarHBondContact O-SG 2.77Å; F16-L77 HydrophobicContact CE2-CD2 4.06Å; F16-L77 HydrophobicContact CE2-CG 4.38Å; F16-L77 HydrophobicContact CZ-CB 4.3Å; F16-L77 HydrophobicContact CZ-CD2 4.31Å; F16-K78 HydrophobicContact CE1-CD 4.42Å; F16-K78 HydrophobicContact CE1-CG 3.83Å; F16-K78 HydrophobicContact CE2-CG 4.27Å; F16-K78 HydrophobicContact CZ-CG 3.48Å; F16-K78 VanDerWaalsContact CZ-CG 3.48Å
17Y78Confident70.2Confident64 Ų6463.6 Ų63.625%0.25133%0.326SS..Hα-helixtrans-67.7-35.4178.4-84.3-73.8000112.1D13 Q19 C20 R21 F70 C74 K78 M573D13-Y17 WeakPolarHBondContact O-CB 3.37Å; D13-Y17 WeakPolarHBondContact O-CD2 3.46Å; D13-Y17 PolarHBondContact O-N 2.97Å; Y17-Q19 VanDerWaalsContact C-N 3.34Å; Y17-C20 PolarHBondContact O-N 3.11Å; Y17-R21 WeakPolarHBondContact O-CB 3.24Å; Y17-R21 PolarHBondContact O-N 3.4Å; Y17-F70 HydrophobicContact CD1-CE1 4.48Å; Y17-C74 HydrophobicContact CE1-CB 4.11Å; Y17-K78 PolarHBondContact OH-NZ 3.08Å; Y17-M573 HydrophobicContact CD1-CE 4.24Å; Y17-M573 HydrophobicContact CE1-CE 4.35Å; Y17-M573 HydrophobicContact CE1-SD 4.48Å
18M76.9Confident72.1Confident87 Ų8758.8 Ų58.843%0.42930%0.295SS..Hα-helixtrans-61.6-42.8172.4-177.1173.262.800111.2E14 V15 F16 R21 A22 L160 L163E14-M18 WeakPolarHBondContact O-CB 3.31Å; E14-M18 PolarHBondContact O-N 2.92Å; V15-M18 PolarHBondContact O-N 2.94Å; F16-M18 VanDerWaalsContact C-N 3.34Å; F16-M18 PolarHBondContact O-N 2.81Å; M18-R21 PolarHBondContact O-N 2.98Å; M18-A22 WeakPolarHBondContact O-CB 3.33Å; M18-A22 PolarHBondContact O-N 2.85Å; M18-L160 HydrophobicContact CG-CD2 4.21Å; M18-L163 HydrophobicContact CG-CD2 4.4Å
19Q84.4Confident73.1Confident50 Ų5060.5 Ų60.523%0.23430%0.301CS..Hα-helixtrans-63.5-46.7174.4-71174.814.800112.1V15 F16 Y17 R21 A22 A23 L160V15-Q19 VanDerWaalsContact O-CG 3.28Å; V15-Q19 WeakPolarHBondContact O-CG 3.41Å; V15-Q19 PolarHBondContact O-N 3.09Å; F16-Q19 WeakPolarHBondContact O-CB 3.36Å; F16-Q19 PolarHBondContact O-N 3.29Å; Y17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-R21 VanDerWaalsContact C-N 3.28Å; Q19-R21 PolarHBondContact O-N 2.89Å; Q19-A22 PolarHBondContact O-N 3.16Å; Q19-A23 WeakPolarHBondContact O-CB 3.21Å; Q19-A23 PolarHBondContact O-N 3.33Å; Q19-L160 HydrophobicContact CG-CD1 4.36Å; Q19-L160 HydrophobicContact CG-CD2 4.38Å
20C83.1Confident74Confident0 Ų056.5 Ų56.50%028%0.276CS..Hα-helixtrans-56.5-46.6175.2-690000110.9F16 Y17 A23 Y24 F70 F73 C74 L77F16-C20 VanDerWaalsContact CE1-SG 3.51Å; F16-C20 WeakPolarHBondContact CZ-SG 3.14Å; F16-C20 PolarHBondContact O-N 3.36Å; F16-C20 PolarHBondContact O-SG 2.77Å; Y17-C20 PolarHBondContact O-N 3.11Å; C20-A23 PolarHBondContact O-N 3.27Å; C20-Y24 WeakPolarHBondContact O-CB 3.4Å; C20-Y24 PolarHBondContact O-N 3.16Å; C20-F70 HydrophobicContact CB-CE2 4.22Å; C20-F70 HydrophobicContact CB-CZ 3.84Å; C20-F73 HydrophobicContact CB-CE1 3.96Å; C20-C74 VanDerWaalsContact CB-SG 3.57Å; C20-L77 WeakPolarHBondContact SG-CD2 3.32Å
21R77.8Confident74.6Confident65 Ų6554.4 Ų54.425%0.24526%0.263CS..Hα-helixtrans-65.3-42.8-178.6-177.8172.4178.3-1163.4112Y17 M18 Q19 Y24 L25 F70 L163 E562Y17-R21 WeakPolarHBondContact O-CB 3.24Å; Y17-R21 PolarHBondContact O-N 3.4Å; M18-R21 PolarHBondContact O-N 2.98Å; Q19-R21 VanDerWaalsContact C-N 3.28Å; Q19-R21 PolarHBondContact O-N 2.89Å; R21-Y24 PolarHBondContact O-N 2.64Å; R21-L25 HydrophobicContact CG-CD1 3.77Å; R21-L25 HydrophobicContact CG-CG 4.37Å; R21-L25 WeakPolarHBondContact O-CB 3.38Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.4Å; R21-L25 PolarHBondContact O-N 2.89Å; R21-F70 HydrophobicContact CB-CE2 4.38Å; R21-F70 HydrophobicContact CB-CZ 4.01Å; R21-L163 HydrophobicContact CG-CD2 4.46Å; R21-E562 IonicContact CZ-OE1 3.98Å; R21-E562 IonicContact NH1-OE1 3.23Å; R21-E562 IonicContact NH2-OE1 2.84Å; R21-E562 PolarHBondContact NH2-OE1 3.49Å
22A80.7Confident73.9Confident2 Ų250.7 Ų50.72%0.01724%0.243CC..Hα-helixtrans-58.6-50.8175.700000111.2M18 Q19 Y24 L25 A26 A159 L160 L163M18-A22 WeakPolarHBondContact O-CB 3.33Å; M18-A22 PolarHBondContact O-N 2.85Å; Q19-A22 PolarHBondContact O-N 3.16Å; A22-Y24 VanDerWaalsContact C-N 3.35Å; A22-Y24 PolarHBondContact O-N 3.42Å; A22-L25 PolarHBondContact O-N 3.16Å; A22-A26 PolarHBondContact O-N 3.24Å; A22-A159 HydrophobicContact CB-CB 4.24Å; A22-L160 HydrophobicContact CB-CD2 3.71Å; A22-L160 HydrophobicContact CB-CG 3.99Å; A22-L163 HydrophobicContact CB-CB 4.25Å; A22-L163 HydrophobicContact CB-CD2 3.86Å
23A88.3Confident74Confident1 Ų148.5 Ų48.51%0.00823%0.234CC..Hα-helixtrans-59.6-44178.100000112.7Q19 C20 A26 Q47 A48 F73Q19-A23 WeakPolarHBondContact O-CB 3.21Å; Q19-A23 PolarHBondContact O-N 3.33Å; C20-A23 PolarHBondContact O-N 3.27Å; A23-A26 WeakPolarHBondContact O-CB 3.46Å; A23-A26 PolarHBondContact O-N 2.72Å; A23-Q47 VanDerWaalsContact CB-C 3.44Å; A23-Q47 HydrophobicContact CB-CB 3.92Å; A23-Q47 WeakPolarHBondContact CB-O 3.47Å; A23-A48 HydrophobicContact CB-CB 3.59Å; A23-F73 HydrophobicContact CB-CZ 4.41Å
24Y83.6Confident74.6Confident0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-65.2-41.2178.6-153.2-89.8000112.3C20 R21 A22 A26 V27 F28 S33 I35 V44 F70 F73C20-Y24 WeakPolarHBondContact O-CB 3.4Å; C20-Y24 PolarHBondContact O-N 3.16Å; R21-Y24 PolarHBondContact O-N 2.64Å; A22-Y24 VanDerWaalsContact C-N 3.35Å; A22-Y24 PolarHBondContact O-N 3.42Å; Y24-A26 VanDerWaalsContact C-N 3.3Å; Y24-A26 PolarHBondContact O-N 3Å; Y24-V27 PolarHBondContact O-N 2.93Å; Y24-F28 HydrophobicContact CD1-CB 4.29Å; Y24-F28 AromaticContact CD1-CD2 3.53Å; Y24-F28 HydrophobicContact CD1-CD2 3.53Å; Y24-F28 HydrophobicContact CD1-CE2 4.27Å; Y24-F28 HydrophobicContact CD1-CG 4.3Å; Y24-F28 HydrophobicContact CD2-CD2 4.38Å; Y24-F28 HydrophobicContact CD2-CE2 4.45Å; Y24-F28 HydrophobicContact CE1-CB 4.43Å; Y24-F28 AromaticContact CE1-CD2 3.47Å; Y24-F28 HydrophobicContact CE1-CD2 3.47Å; Y24-F28 VanDerWaalsContact CE1-CD2 3.47Å; Y24-F28 AromaticContact CE1-CE2 3.95Å; Y24-F28 HydrophobicContact CE1-CE2 3.95Å; Y24-F28 HydrophobicContact CE1-CG 4.17Å; Y24-F28 HydrophobicContact CE2-CD2 4.34Å; Y24-F28 HydrophobicContact CE2-CE2 4.15Å; Y24-F28 HydrophobicContact CG-CD2 4.02Å; Y24-F28 AromaticContact CZ-CD2 3.93Å; Y24-F28 AromaticContact CZ-CE2 3.9Å; Y24-F28 WeakPolarHBondContact O-CB 3.32Å; Y24-F28 WeakPolarHBondContact O-CD2 3.4Å; Y24-F28 PolarHBondContact O-N 2.81Å; Y24-S33 VanDerWaalsContact CE1-O 3.27Å; Y24-S33 WeakPolarHBondContact CE1-O 3.29Å; Y24-S33 PolarHBondContact OH-O 2.81Å; Y24-I35 HydrophobicContact CE2-CD1 3.87Å; Y24-I35 HydrophobicContact CE2-CG1 4.04Å; Y24-V44 HydrophobicContact CD2-CG1 3.69Å; Y24-V44 HydrophobicContact CE2-CG1 4.48Å; Y24-V44 HydrophobicContact CG-CG1 4.31Å; Y24-F70 AromaticContact CD1-CD2 3.88Å; Y24-F70 HydrophobicContact CD1-CD2 3.88Å; Y24-F70 AromaticContact CD2-CD2 3.53Å; Y24-F70 HydrophobicContact CD2-CD2 3.53Å; Y24-F70 HydrophobicContact CD2-CE2 4.11Å; Y24-F70 HydrophobicContact CE1-CB 4.46Å; Y24-F70 HydrophobicContact CE1-CD2 4.24Å; Y24-F70 HydrophobicContact CE2-CB 4.32Å; Y24-F70 AromaticContact CE2-CD2 3.92Å; Y24-F70 HydrophobicContact CE2-CD2 3.92Å; Y24-F70 AromaticContact CG-CD2 3.48Å; Y24-F70 HydrophobicContact CG-CD2 3.48Å; Y24-F70 VanDerWaalsContact CG-CD2 3.48Å; Y24-F70 AromaticContact CG-CE2 3.91Å; Y24-F70 HydrophobicContact CG-CE2 3.91Å; Y24-F70 PolarHBondContact OH-N 2.97Å; Y24-F73 HydrophobicContact CD2-CB 4.18Å; Y24-F73 AromaticContact CD2-CD1 3.56Å; Y24-F73 HydrophobicContact CD2-CD1 3.56Å; Y24-F73 HydrophobicContact CD2-CE1 4.13Å; Y24-F73 AromaticContact CD2-CG 3.87Å; Y24-F73 HydrophobicContact CD2-CG 3.87Å; Y24-F73 HydrophobicContact CE2-CB 3.9Å; Y24-F73 HydrophobicContact CE2-CD1 4.16Å; Y24-F73 HydrophobicContact CE2-CG 4.09Å
25L77.1Confident75.8Confident39 Ų3943.4 Ų43.420%0.20421%0.211CC..Hα-helixtrans-76.2-16.2178.1-70.3175.5000113.7R21 A22 V27 F28 S30 S31 L163R21-L25 HydrophobicContact CG-CD1 3.77Å; R21-L25 HydrophobicContact CG-CG 4.37Å; R21-L25 WeakPolarHBondContact O-CB 3.38Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.4Å; R21-L25 PolarHBondContact O-N 2.89Å; A22-L25 PolarHBondContact O-N 3.16Å; L25-V27 VanDerWaalsContact C-N 3.31Å; L25-F28 CarbonylContact C-O 3.57Å; L25-F28 VanDerWaalsContact CA-O 3.26Å; L25-F28 WeakPolarHBondContact CA-O 3.47Å; L25-S30 VanDerWaalsContact CD2-C 3.47Å; L25-S31 VanDerWaalsContact CD2-N 3.31Å; L25-L163 HydrophobicContact CD1-CD1 3.6Å
26A85.2Confident76.6Confident26 Ų2645 Ų4522%0.21522%0.224CC..Hα-helixtrans-67.3-35.9169.800000111.4A22 A23 Y24 Q47 A159A22-A26 PolarHBondContact O-N 3.24Å; A23-A26 WeakPolarHBondContact O-CB 3.46Å; A23-A26 PolarHBondContact O-N 2.72Å; Y24-A26 VanDerWaalsContact C-N 3.3Å; Y24-A26 PolarHBondContact O-N 3Å; A26-Q47 HydrophobicContact CB-CB 4.08Å; A26-Q47 HydrophobicContact CB-CG 3.82Å; A26-A159 HydrophobicContact CB-CB 3.9Å
27V85.3Confident77.1Confident47 Ų4745.1 Ų45.129%0.28523%0.229SC..Hα-helixtrans-91.7-38.3179.2-175.20000112.2Y24 L25 R43 V44 Q47Y24-V27 PolarHBondContact O-N 2.93Å; L25-V27 VanDerWaalsContact C-N 3.31Å; V27-R43 HydrophobicContact CG1-CB 4.2Å; V27-R43 HydrophobicContact CG2-CB 3.99Å; V27-V44 HydrophobicContact CB-CG2 3.79Å; V27-V44 HydrophobicContact CG1-CG2 3.96Å; V27-V44 HydrophobicContact CG2-CB 4.32Å; V27-V44 HydrophobicContact CG2-CG2 3.75Å; V27-Q47 HydrophobicContact CG2-CB 4.42Å; V27-Q47 HydrophobicContact CG2-CG 3.66Å
28F74.9Confident77.7Confident19 Ų1944.7 Ų44.78%0.08323%0.228CC..SBendtrans-112.5146.6-175.5-60.7-72.5000112.1Y24 L25 S30 I35 Q40 V44Y24-F28 HydrophobicContact CD1-CB 4.29Å; Y24-F28 AromaticContact CD1-CD2 3.53Å; Y24-F28 HydrophobicContact CD1-CD2 3.53Å; Y24-F28 HydrophobicContact CD1-CE2 4.27Å; Y24-F28 HydrophobicContact CD1-CG 4.3Å; Y24-F28 HydrophobicContact CD2-CD2 4.38Å; Y24-F28 HydrophobicContact CD2-CE2 4.45Å; Y24-F28 HydrophobicContact CE1-CB 4.43Å; Y24-F28 AromaticContact CE1-CD2 3.47Å; Y24-F28 HydrophobicContact CE1-CD2 3.47Å; Y24-F28 VanDerWaalsContact CE1-CD2 3.47Å; Y24-F28 AromaticContact CE1-CE2 3.95Å; Y24-F28 HydrophobicContact CE1-CE2 3.95Å; Y24-F28 HydrophobicContact CE1-CG 4.17Å; Y24-F28 HydrophobicContact CE2-CD2 4.34Å; Y24-F28 HydrophobicContact CE2-CE2 4.15Å; Y24-F28 HydrophobicContact CG-CD2 4.02Å; Y24-F28 AromaticContact CZ-CD2 3.93Å; Y24-F28 AromaticContact CZ-CE2 3.9Å; Y24-F28 WeakPolarHBondContact O-CB 3.32Å; Y24-F28 WeakPolarHBondContact O-CD2 3.4Å; Y24-F28 PolarHBondContact O-N 2.81Å; L25-F28 CarbonylContact C-O 3.57Å; L25-F28 VanDerWaalsContact CA-O 3.26Å; L25-F28 WeakPolarHBondContact CA-O 3.47Å; F28-S30 WeakPolarHBondContact CB-O 3.2Å; F28-S30 PolarHBondContact O-N 2.89Å; F28-S30 VanDerWaalsContact O-N 3.12Å; F28-I35 HydrophobicContact CE2-CG1 3.65Å; F28-I35 HydrophobicContact CZ-CB 4.3Å; F28-I35 HydrophobicContact CZ-CG1 3.68Å; F28-Q40 HydrophobicContact CE1-CG 4.39Å; F28-Q40 HydrophobicContact CZ-CB 4.07Å; F28-Q40 HydrophobicContact CZ-CG 4.31Å; F28-V44 HydrophobicContact CD2-CG2 4.09Å; F28-V44 HydrophobicContact CE2-CG2 3.41Å; F28-V44 VanDerWaalsContact CE2-CG2 3.41Å; F28-V44 HydrophobicContact CZ-CG2 4.21Å
29R62.4Low78.4Confident256 Ų25646.4 Ų46.497%0.96624%0.236SC*.SBendtrans-68.6-10174.3-65.6-174177.9146.1-0113.6
30S58.7Low78.8Confident23 Ų2346.5 Ų46.516%0.16124%0.236CC..SBendtrans-157.5141.5-173.9-164.90000109.4L25 F28 L32 S33L25-S30 VanDerWaalsContact CD2-C 3.47Å; F28-S30 WeakPolarHBondContact CB-O 3.2Å; F28-S30 PolarHBondContact O-N 2.89Å; F28-S30 VanDerWaalsContact O-N 3.12Å; S30-L32 PolarHBondContact O-N 3.43Å; S30-L32 WeakPolarHBondContact OG-CB 3.41Å; S30-L32 VanDerWaalsContact OG-CG 3.28Å; S30-L32 WeakPolarHBondContact OG-CG 3.45Å; S30-S33 PolarHBondContact O-N 3.45Å; S30-S33 VanDerWaalsContact O-N 3.14Å
31S58.7Low79.3Confident18 Ų1846.5 Ų46.513%0.12624%0.236CC..THydrogen-bonded Turntrans-65.86.7169.4-46.90000113.6L25L25-S31 VanDerWaalsContact CD2-N 3.31Å
32L48Very low80Confident32 Ų3244.5 Ų44.517%0.16823%0.232CC..THydrogen-bonded Turntrans-108.1-5.3-176.1-50.9-175.6000111.4S30 H558S30-L32 PolarHBondContact O-N 3.43Å; S30-L32 WeakPolarHBondContact OG-CB 3.41Å; S30-L32 VanDerWaalsContact OG-CG 3.28Å; S30-L32 WeakPolarHBondContact OG-CG 3.45Å; L32-H558 WeakPolarHBondContact CB-CE1 3.3Å; L32-H558 HydrophobicContact CD1-CB 4.09Å; L32-H558 VanDerWaalsContact CD1-ND1 3.34Å; L32-H558 WeakPolarHBondContact CD1-ND1 3.26Å; L32-H558 WeakPolarHBondContact CD2-CE1 3.09Å; L32-H558 WeakPolarHBondContact CD2-ND1 3.26Å; L32-H558 WeakPolarHBondContact CG-ND1 3.47Å
33S64.7Low80.5Confident44 Ų4450.2 Ų50.231%0.30825%0.253SS..SBendtrans-85.9113.7178-65.90000108.7Y24 S30Y24-S33 VanDerWaalsContact CE1-O 3.27Å; Y24-S33 WeakPolarHBondContact CE1-O 3.29Å; Y24-S33 PolarHBondContact OH-O 2.81Å; S30-S33 PolarHBondContact O-N 3.45Å; S30-S33 VanDerWaalsContact O-N 3.14Å
34N79.8Confident80.7Confident66 Ų6650.1 Ų50.135%0.35325%0.252SS..  trans-64.6144.4175.6-66.7-28.5000111.2S36 K67 L68N34-S36 PolarHBondContact O-N 2.86Å; N34-K67 HydrophobicContact CB-CB 4.26Å; N34-L68 CarbonylContact C-O 3.57Å; N34-L68 WeakPolarHBondContact CA-O 3.12Å
35I89.1Confident81.1Confident0 Ų050.2 Ų50.20%025%0.253CS..BIsolated β-bridgetrans-69.7115.9163.8-58.9167.1000106.7Y24 F28 S37 Q40 L41 V44 W61 K67 L68 F73Y24-I35 HydrophobicContact CE2-CD1 3.87Å; Y24-I35 HydrophobicContact CE2-CG1 4.04Å; F28-I35 HydrophobicContact CE2-CG1 3.65Å; F28-I35 HydrophobicContact CZ-CB 4.3Å; F28-I35 HydrophobicContact CZ-CG1 3.68Å; I35-S37 WeakPolarHBondContact CG2-O 2.88Å; I35-Q40 HydrophobicContact CG2-CB 3.78Å; I35-L41 HydrophobicContact CD1-CD1 4.04Å; I35-L41 HydrophobicContact CG2-CB 3.87Å; I35-V44 HydrophobicContact CD1-CG2 4.38Å; I35-V44 HydrophobicContact CG1-CG2 4.45Å; I35-W61 HydrophobicContact CB-CZ3 4.37Å; I35-W61 HydrophobicContact CG2-CE3 4.36Å; I35-W61 HydrophobicContact CG2-CH2 4.32Å; I35-W61 HydrophobicContact CG2-CZ3 3.63Å; I35-W61 WeakPolarHBondContact O-CH2 3.05Å; I35-K67 CarbonylContact O-C 3.54Å; I35-K67 VanDerWaalsContact O-CA 3.3Å; I35-K67 WeakPolarHBondContact O-CA 3.28Å; I35-L68 HydrophobicContact CB-CB 4.17Å; I35-L68 HydrophobicContact CD1-CB 4.45Å; I35-L68 PolarHBondContact N-O 2.87Å; I35-L68 PolarHBondContact O-N 3.48Å; I35-F73 HydrophobicContact CD1-CB 4.17Å
36S90.3Very high81.7Confident71 Ų7151.9 Ų51.950%0.49726%0.259SS..  trans-112.25.5-177.167.60000113N34 Q40 W61N34-S36 PolarHBondContact O-N 2.86Å; S36-Q40 PolarHBondContact OG-OE1 3Å; S36-Q40 VanDerWaalsContact OG-OE1 3.11Å; S36-W61 VanDerWaalsContact C-CZ2 3.48Å
37S92.5Very high82Confident38 Ų3853.1 Ų53.127%0.26626%0.261SS..SBendtrans-150.6152.6176.762.20000112.2I35 Q39 Q40 L41 W61I35-S37 WeakPolarHBondContact CG2-O 2.88Å; S37-Q39 PolarHBondContact O-N 2.87Å; S37-Q40 WeakPolarHBondContact O-CB 3.27Å; S37-Q40 PolarHBondContact O-N 3.34Å; S37-Q40 WeakPolarHBondContact OG-CB 3.2Å; S37-Q40 VanDerWaalsContact OG-CG 3.28Å; S37-Q40 WeakPolarHBondContact OG-CG 3.42Å; S37-Q40 PolarHBondContact OG-N 2.94Å; S37-Q40 PolarHBondContact OG-OE1 3.13Å; S37-L41 PolarHBondContact O-N 2.8Å; S37-L41 VanDerWaalsContact O-N 3.1Å; S37-W61 VanDerWaalsContact CA-CZ2 3.41Å
38K90.7Very high82.2Confident54 Ų5451 Ų5124%0.23525%0.248CC..Hα-helixtrans-53.9-36.1172-168.6178179.6-175.20112.5L41 C42 L57 N58 W61K38-L41 PolarHBondContact O-N 2.7Å; K38-C42 PolarHBondContact O-N 3.05Å; K38-L57 HydrophobicContact CD-CB 4.31Å; K38-L57 HydrophobicContact CG-CB 4.1Å; K38-L57 HydrophobicContact CG-CD1 4.49Å; K38-N58 PolarHBondContact NZ-OD1 2.87Å; K38-W61 HydrophobicContact CB-CB 4.37Å; K38-W61 HydrophobicContact CB-CD2 4.25Å; K38-W61 HydrophobicContact CB-CG 3.83Å; K38-W61 HydrophobicContact CG-CB 4.17Å; K38-W61 HydrophobicContact CG-CG 4.16Å
39Q91.1Very high82.8Confident124 Ų12450.5 Ų50.558%0.57925%0.248SC*.Hα-helixtrans-68.4-37.7178.4-166.6178.822.100112.2S37 C42 R43S37-Q39 PolarHBondContact O-N 2.87Å; Q39-C42 PolarHBondContact O-N 3.5Å; Q39-R43 VanDerWaalsContact NE2-NH2 3.13Å; Q39-R43 WeakPolarHBondContact O-CG 3.23Å; Q39-R43 PolarHBondContact O-N 2.89Å; Q39-R43 VanDerWaalsContact O-N 3.08Å
40Q93.1Very high84Confident51 Ų5139.8 Ų39.824%0.23821%0.208CC..Hα-helixtrans-67.5-40.6174.2-76.4168.9-21.800111.4F28 I35 S36 S37 C42 R43 V44F28-Q40 HydrophobicContact CE1-CG 4.39Å; F28-Q40 HydrophobicContact CZ-CB 4.07Å; F28-Q40 HydrophobicContact CZ-CG 4.31Å; I35-Q40 HydrophobicContact CG2-CB 3.78Å; S36-Q40 PolarHBondContact OG-OE1 3Å; S36-Q40 VanDerWaalsContact OG-OE1 3.11Å; S37-Q40 WeakPolarHBondContact O-CB 3.27Å; S37-Q40 PolarHBondContact O-N 3.34Å; S37-Q40 WeakPolarHBondContact OG-CB 3.2Å; S37-Q40 VanDerWaalsContact OG-CG 3.28Å; S37-Q40 WeakPolarHBondContact OG-CG 3.42Å; S37-Q40 PolarHBondContact OG-N 2.94Å; S37-Q40 PolarHBondContact OG-OE1 3.13Å; Q40-C42 VanDerWaalsContact C-N 3.31Å; Q40-C42 PolarHBondContact O-N 2.86Å; Q40-R43 PolarHBondContact O-N 2.81Å; Q40-V44 WeakPolarHBondContact O-CG2 3.35Å; Q40-V44 PolarHBondContact O-N 3.49Å
41L92.9Very high85.3Confident0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-57.2-47.3174.7179.459.5000111I35 S37 K38 R43 V44 L45 L57 W61 L68 I76I35-L41 HydrophobicContact CD1-CD1 4.04Å; I35-L41 HydrophobicContact CG2-CB 3.87Å; S37-L41 PolarHBondContact O-N 2.8Å; S37-L41 VanDerWaalsContact O-N 3.1Å; K38-L41 PolarHBondContact O-N 2.7Å; L41-R43 PolarHBondContact O-N 2.78Å; L41-V44 PolarHBondContact O-N 3.1Å; L41-L45 HydrophobicContact CD1-CD1 3.97Å; L41-L45 HydrophobicContact CD1-CG 4.25Å; L41-L45 HydrophobicContact CG-CD1 3.93Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 2.92Å; L41-L57 HydrophobicContact CB-CD2 4.44Å; L41-L57 HydrophobicContact CD2-CD2 4.1Å; L41-L57 HydrophobicContact CG-CD2 4.01Å; L41-W61 HydrophobicContact CB-CE3 4.36Å; L41-W61 HydrophobicContact CD2-CB 4.2Å; L41-W61 HydrophobicContact CD2-CE3 4.28Å; L41-L68 HydrophobicContact CD1-CD1 4.13Å; L41-L68 HydrophobicContact CD2-CD1 4.03Å; L41-I76 HydrophobicContact CD1-CD1 4.09Å
42C93.2Very high86.7Confident24 Ų2443.1 Ų43.116%0.16222%0.224CC..Hα-helixtrans-56.6-50.5176.8-177.50000112K38 Q39 Q40 V44 L45 Q46 L57K38-C42 PolarHBondContact O-N 3.05Å; Q39-C42 PolarHBondContact O-N 3.5Å; Q40-C42 VanDerWaalsContact C-N 3.31Å; Q40-C42 PolarHBondContact O-N 2.86Å; C42-V44 VanDerWaalsContact C-N 3.32Å; C42-V44 PolarHBondContact O-N 3.24Å; C42-L45 PolarHBondContact O-N 3.15Å; C42-Q46 WeakPolarHBondContact O-CG 3.44Å; C42-Q46 PolarHBondContact O-N 2.84Å; C42-L57 HydrophobicContact CB-CD1 3.77Å; C42-L57 HydrophobicContact CB-CD2 3.92Å
43R91Very high88.6Confident121 Ų12143.7 Ų43.746%0.45723%0.23SC..Hα-helixtrans-59.6-41.6180-72.2177.2-173.9174.94.5112.4V27 Q39 Q40 L41 Q46 Q47V27-R43 HydrophobicContact CG1-CB 4.2Å; V27-R43 HydrophobicContact CG2-CB 3.99Å; Q39-R43 VanDerWaalsContact NE2-NH2 3.13Å; Q39-R43 WeakPolarHBondContact O-CG 3.23Å; Q39-R43 PolarHBondContact O-N 2.89Å; Q39-R43 VanDerWaalsContact O-N 3.08Å; Q40-R43 PolarHBondContact O-N 2.81Å; L41-R43 PolarHBondContact O-N 2.78Å; R43-Q46 WeakPolarHBondContact O-CB 3.4Å; R43-Q46 PolarHBondContact O-N 3.07Å; R43-Q47 VanDerWaalsContact O-CG 3.3Å; R43-Q47 WeakPolarHBondContact O-CG 3.21Å; R43-Q47 PolarHBondContact O-N 2.8Å
44V92.1Very high89.5Confident0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-70.1-40.4-177.3-176.30000110.9Y24 V27 F28 I35 Q40 L41 C42 Q46 Q47 A48 F73Y24-V44 HydrophobicContact CD2-CG1 3.69Å; Y24-V44 HydrophobicContact CE2-CG1 4.48Å; Y24-V44 HydrophobicContact CG-CG1 4.31Å; V27-V44 HydrophobicContact CB-CG2 3.79Å; V27-V44 HydrophobicContact CG1-CG2 3.96Å; V27-V44 HydrophobicContact CG2-CB 4.32Å; V27-V44 HydrophobicContact CG2-CG2 3.75Å; F28-V44 HydrophobicContact CD2-CG2 4.09Å; F28-V44 HydrophobicContact CE2-CG2 3.41Å; F28-V44 VanDerWaalsContact CE2-CG2 3.41Å; F28-V44 HydrophobicContact CZ-CG2 4.21Å; I35-V44 HydrophobicContact CD1-CG2 4.38Å; I35-V44 HydrophobicContact CG1-CG2 4.45Å; Q40-V44 WeakPolarHBondContact O-CG2 3.35Å; Q40-V44 PolarHBondContact O-N 3.49Å; L41-V44 PolarHBondContact O-N 3.1Å; C42-V44 VanDerWaalsContact C-N 3.32Å; C42-V44 PolarHBondContact O-N 3.24Å; V44-Q46 VanDerWaalsContact C-N 3.31Å; V44-Q46 PolarHBondContact O-N 2.85Å; V44-Q47 PolarHBondContact O-N 2.83Å; V44-A48 PolarHBondContact O-N 2.7Å; V44-A48 VanDerWaalsContact O-N 3.08Å; V44-F73 HydrophobicContact CB-CD2 4.42Å; V44-F73 HydrophobicContact CB-CE2 4.18Å; V44-F73 HydrophobicContact CG1-CD1 4.24Å; V44-F73 HydrophobicContact CG1-CD2 3.72Å; V44-F73 HydrophobicContact CG1-CE1 3.92Å; V44-F73 HydrophobicContact CG1-CE2 3.39Å; V44-F73 HydrophobicContact CG1-CG 4.13Å; V44-F73 HydrophobicContact CG1-CZ 3.5Å
45L92.3Very high89.8Confident1 Ų147 Ų471%0.00525%0.248CC..Hα-helixtrans-61.8-40173.4-71.9168.8000111.5L41 C42 A48 G49 R50 P52 L57 F73 I76 L77L41-L45 HydrophobicContact CD1-CD1 3.97Å; L41-L45 HydrophobicContact CD1-CG 4.25Å; L41-L45 HydrophobicContact CG-CD1 3.93Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 2.92Å; C42-L45 PolarHBondContact O-N 3.15Å; L45-A48 CarbonylContact O-C 3.53Å; L45-A48 WeakPolarHBondContact O-CA 3.5Å; L45-A48 WeakPolarHBondContact O-CB 3.19Å; L45-A48 PolarHBondContact O-N 2.98Å; L45-A48 VanDerWaalsContact O-N 3.09Å; L45-G49 PolarHBondContact O-N 2.96Å; L45-R50 HydrophobicContact CB-CB 4.25Å; L45-R50 WeakPolarHBondContact O-CB 3.33Å; L45-R50 PolarHBondContact O-N 2.86Å; L45-P52 HydrophobicContact CB-CG 3.88Å; L45-P52 HydrophobicContact CD1-CB 3.92Å; L45-P52 HydrophobicContact CD1-CG 3.96Å; L45-L57 HydrophobicContact CD1-CD2 4.07Å; L45-F73 HydrophobicContact CD2-CD2 4.33Å; L45-F73 HydrophobicContact CD2-CE2 3.84Å; L45-F73 HydrophobicContact CG-CE2 4.29Å; L45-I76 HydrophobicContact CD1-CG2 4.43Å; L45-I76 HydrophobicContact CD2-CG2 3.96Å; L45-L77 HydrophobicContact CD2-CD1 3.96Å
46Q90.6Very high89.7Confident74 Ų7448.2 Ų48.235%0.34626%0.256SS..Hα-helixtrans-61.8-43.8173.5-72.7173.5-24.700112.8C42 R43 V44 A48 G49 R50C42-Q46 WeakPolarHBondContact O-CG 3.44Å; C42-Q46 PolarHBondContact O-N 2.84Å; R43-Q46 WeakPolarHBondContact O-CB 3.4Å; R43-Q46 PolarHBondContact O-N 3.07Å; V44-Q46 VanDerWaalsContact C-N 3.31Å; V44-Q46 PolarHBondContact O-N 2.85Å; Q46-A48 PolarHBondContact O-N 3.33Å; Q46-G49 PolarHBondContact O-N 3.22Å; Q46-R50 VanDerWaalsContact CA-O 3.25Å; Q46-R50 WeakPolarHBondContact CA-O 3.15Å
47Q90.1Very high89.6Confident52 Ų5245.4 Ų45.424%0.24324%0.235CC..Hα-helixtrans-65.8-19.4174.8-64.6-59-57.900112.9A23 A26 V27 R43 V44 G49 Q156A23-Q47 VanDerWaalsContact CB-C 3.44Å; A23-Q47 HydrophobicContact CB-CB 3.92Å; A23-Q47 WeakPolarHBondContact CB-O 3.47Å; A26-Q47 HydrophobicContact CB-CB 4.08Å; A26-Q47 HydrophobicContact CB-CG 3.82Å; V27-Q47 HydrophobicContact CG2-CB 4.42Å; V27-Q47 HydrophobicContact CG2-CG 3.66Å; R43-Q47 VanDerWaalsContact O-CG 3.3Å; R43-Q47 WeakPolarHBondContact O-CG 3.21Å; R43-Q47 PolarHBondContact O-N 2.8Å; V44-Q47 PolarHBondContact O-N 2.83Å; Q47-G49 VanDerWaalsContact C-N 3.3Å; Q47-Q156 WeakPolarHBondContact O-CA 3.44Å
48A89.7Confident89.5Confident2 Ų247.8 Ų47.82%0.01725%0.245CC..THydrogen-bonded Turntrans-90.29.8173.400000113.5A23 V44 L45 Q46 R50 F73 L77A23-A48 HydrophobicContact CB-CB 3.59Å; V44-A48 PolarHBondContact O-N 2.7Å; V44-A48 VanDerWaalsContact O-N 3.08Å; L45-A48 CarbonylContact O-C 3.53Å; L45-A48 WeakPolarHBondContact O-CA 3.5Å; L45-A48 WeakPolarHBondContact O-CB 3.19Å; L45-A48 PolarHBondContact O-N 2.98Å; L45-A48 VanDerWaalsContact O-N 3.09Å; Q46-A48 PolarHBondContact O-N 3.33Å; A48-R50 PolarHBondContact O-NH1 2.83Å; A48-F73 HydrophobicContact CB-CZ 4Å; A48-L77 HydrophobicContact CB-CD1 3.6Å; A48-L77 HydrophobicContact CB-CD2 3.84Å; A48-L77 HydrophobicContact CB-CG 4.41Å
49G87.6Confident89.4Confident9 Ų951.5 Ų51.59%0.09326%0.261CS..THydrogen-bonded Turntrans73.426.8-179.500000113.7L45 Q46 Q47 A152L45-G49 PolarHBondContact O-N 2.96Å; Q46-G49 PolarHBondContact O-N 3.22Å; Q47-G49 VanDerWaalsContact C-N 3.3Å; G49-A152 WeakPolarHBondContact CA-O 2.94Å
50R88.9Confident89.4Confident31 Ų3147.4 Ų47.412%0.11724%0.241CC..  trans-104.4152.1169.9-60.7-59.1-170.2-78.4-0.5111L45 Q46 A48 P52 L77 E80 R81 K82L45-R50 HydrophobicContact CB-CB 4.25Å; L45-R50 WeakPolarHBondContact O-CB 3.33Å; L45-R50 PolarHBondContact O-N 2.86Å; Q46-R50 VanDerWaalsContact CA-O 3.25Å; Q46-R50 WeakPolarHBondContact CA-O 3.15Å; A48-R50 PolarHBondContact O-NH1 2.83Å; R50-P52 WeakPolarHBondContact O-CD 3.46Å; R50-L77 HydrophobicContact CG-CD1 3.54Å; R50-L77 PolarHBondContact NH2-O 3.09Å; R50-E80 VanDerWaalsContact CZ-O 3.26Å; R50-E80 PolarHBondContact NE-O 3.14Å; R50-E80 PolarHBondContact NH2-O 2.85Å; R50-R81 WeakPolarHBondContact CD-O 3.36Å; R50-R81 PolarHBondContact NE-O 2.95Å; R50-K82 VanDerWaalsContact CZ-CG 3.49Å
51N86Confident89.2Confident95 Ų9546.8 Ų46.851%0.50824%0.236SC..  trans-117.881.3170.7-167.620.3000109.8
52P88Confident89Confident17 Ų1749.5 Ų49.511%0.1125%0.253CS..  trans-74133.6-172.631.6-36.5000111.7L45 R50 T56 L57L45-P52 HydrophobicContact CB-CG 3.88Å; L45-P52 HydrophobicContact CD1-CB 3.92Å; L45-P52 HydrophobicContact CD1-CG 3.96Å; R50-P52 WeakPolarHBondContact O-CD 3.46Å; P52-T56 HydrophobicContact CB-CG2 4Å; P52-L57 HydrophobicContact CB-CD2 4Å; P52-L57 HydrophobicContact CB-CG 4.1Å; P52-L57 HydrophobicContact CG-CD2 4.03Å; P52-L57 HydrophobicContact CG-CG 4.36Å
53S86.4Confident88.4Confident43 Ų4354.9 Ų54.930%0.30129%0.291SS..  trans-76.1166.6172.873.40000112.1A55 T56 L57 E117S53-A55 PolarHBondContact O-N 2.87Å; S53-A55 PolarHBondContact OG-N 3Å; S53-T56 PolarHBondContact O-N 2.83Å; S53-T56 PolarHBondContact OG-N 3.42Å; S53-T56 VanDerWaalsContact OG-N 3.09Å; S53-T56 PolarHBondContact OG-OG1 3.38Å; S53-L57 WeakPolarHBondContact O-CG 3.39Å; S53-L57 PolarHBondContact O-N 2.81Å; S53-E117 VanDerWaalsContact CB-OE1 3.26Å; S53-E117 WeakPolarHBondContact CB-OE1 3.49Å; S53-E117 WeakPolarHBondContact CB-OE2 3.25Å; S53-E117 PolarHBondContact OG-OE1 3.35Å
54H84.9Confident87.9Confident121 Ų12160.1 Ų60.156%0.5631%0.311SS*.Hα-helixtrans-58.1-34.4173.4-76-102.7000112.3N58 E117H54-N58 VanDerWaalsContact O-CB 3.3Å; H54-N58 WeakPolarHBondContact O-CB 3.16Å; H54-N58 PolarHBondContact O-N 2.9Å; H54-N58 PolarHBondContact O-ND2 3.25Å; H54-E117 WeakPolarHBondContact CA-OE1 3.15Å; H54-E117 HydrophobicContact CB-CG 4.42Å; H54-E117 WeakPolarHBondContact CB-OE2 3.35Å; H54-E117 IonicContact CD2-OE2 3.57Å; H54-E117 PolarHBondContact CD2-OE2 3.11Å; H54-E117 IonicContact CG-OE2 3.99Å; H54-E117 PolarHBondContact N-OE1 2.98Å; H54-E117 PolarHBondContact N-OE2 3.28Å
55A84.9Confident87.6Confident58 Ų5861.5 Ų61.548%0.47932%0.319SS..Hα-helixtrans-68-47175.600000111.1S53 L57 N58 K59 E117S53-A55 PolarHBondContact O-N 2.87Å; S53-A55 PolarHBondContact OG-N 3Å; A55-L57 VanDerWaalsContact C-N 3.31Å; A55-L57 PolarHBondContact O-N 2.96Å; A55-N58 PolarHBondContact O-N 3.34Å; A55-N58 VanDerWaalsContact O-N 3.17Å; A55-K59 PolarHBondContact O-N 2.9Å; A55-E117 VanDerWaalsContact CB-OE1 3.26Å; A55-E117 WeakPolarHBondContact CB-OE1 3.01Å; A55-E117 PolarHBondContact N-OE1 3.03Å
56T87.1Confident87.3Confident27 Ų2766 Ų6617%0.16635%0.35CS..Hα-helixtrans-57.7-45.7172.7-63.40000110.6P52 S53 N58 K59 Y60 E80P52-T56 HydrophobicContact CB-CG2 4Å; S53-T56 PolarHBondContact O-N 2.83Å; S53-T56 PolarHBondContact OG-N 3.42Å; S53-T56 VanDerWaalsContact OG-N 3.09Å; S53-T56 PolarHBondContact OG-OG1 3.38Å; T56-N58 PolarHBondContact O-N 3.19Å; T56-K59 WeakPolarHBondContact O-CB 3.47Å; T56-K59 PolarHBondContact O-N 3.04Å; T56-Y60 HydrophobicContact CG2-CD2 4.29Å; T56-Y60 HydrophobicContact CG2-CE2 3.94Å; T56-Y60 WeakPolarHBondContact O-CD2 3.04Å; T56-E80 VanDerWaalsContact CG2-CD 3.44Å; T56-E80 HydrophobicContact CG2-CG 4.06Å; T56-E80 VanDerWaalsContact CG2-OE2 3.27Å; T56-E80 WeakPolarHBondContact CG2-OE2 3.31Å
57L89.3Confident87.2Confident11 Ų1167.1 Ų67.16%0.05835%0.354CS..Hα-helixtrans-66.2-36.4177.5-65.3171.7000112.4K38 L41 C42 L45 P52 S53 A55 K59 Y60 W61K38-L57 HydrophobicContact CD-CB 4.31Å; K38-L57 HydrophobicContact CG-CB 4.1Å; K38-L57 HydrophobicContact CG-CD1 4.49Å; L41-L57 HydrophobicContact CB-CD2 4.44Å; L41-L57 HydrophobicContact CD2-CD2 4.1Å; L41-L57 HydrophobicContact CG-CD2 4.01Å; C42-L57 HydrophobicContact CB-CD1 3.77Å; C42-L57 HydrophobicContact CB-CD2 3.92Å; L45-L57 HydrophobicContact CD1-CD2 4.07Å; P52-L57 HydrophobicContact CB-CD2 4Å; P52-L57 HydrophobicContact CB-CG 4.1Å; P52-L57 HydrophobicContact CG-CD2 4.03Å; P52-L57 HydrophobicContact CG-CG 4.36Å; S53-L57 WeakPolarHBondContact O-CG 3.39Å; S53-L57 PolarHBondContact O-N 2.81Å; A55-L57 VanDerWaalsContact C-N 3.31Å; A55-L57 PolarHBondContact O-N 2.96Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-Y60 PolarHBondContact O-N 3.36Å; L57-W61 WeakPolarHBondContact O-CA 3.42Å; L57-W61 WeakPolarHBondContact O-CB 3.47Å; L57-W61 PolarHBondContact O-N 2.95Å
58N88.8Confident87Confident89 Ų8965.6 Ų65.648%0.47635%0.348SS..Hα-helixtrans-69.6-29.3176.5-78.4-23.8000112.8K38 H54 A55 T56 Y60K38-N58 PolarHBondContact NZ-OD1 2.87Å; H54-N58 VanDerWaalsContact O-CB 3.3Å; H54-N58 WeakPolarHBondContact O-CB 3.16Å; H54-N58 PolarHBondContact O-N 2.9Å; H54-N58 PolarHBondContact O-ND2 3.25Å; A55-N58 PolarHBondContact O-N 3.34Å; A55-N58 VanDerWaalsContact O-N 3.17Å; T56-N58 PolarHBondContact O-N 3.19Å; N58-Y60 VanDerWaalsContact C-N 3.32Å; N58-Y60 PolarHBondContact O-N 2.71Å
59K90.1Very high86.6Confident131 Ų13168.1 Ų68.157%0.5736%0.361SS*.Hα-helixtrans-60.4-42.2174.9-177.1-175.9174.5-166.10111.3A55 T56 L57 E80A55-K59 PolarHBondContact O-N 2.9Å; T56-K59 WeakPolarHBondContact O-CB 3.47Å; T56-K59 PolarHBondContact O-N 3.04Å; L57-K59 VanDerWaalsContact C-N 3.33Å; K59-E80 IonicContact NZ-OE1 3.46Å
60Y90.2Very high86Confident39 Ų3968.6 Ų68.615%0.15336%0.36CS..Hα-helixtrans-100.2-24.4-176-54.9-66.6000114T56 L57 N58 T65 I76 E80T56-Y60 HydrophobicContact CG2-CD2 4.29Å; T56-Y60 HydrophobicContact CG2-CE2 3.94Å; T56-Y60 WeakPolarHBondContact O-CD2 3.04Å; L57-Y60 PolarHBondContact O-N 3.36Å; N58-Y60 VanDerWaalsContact C-N 3.32Å; N58-Y60 PolarHBondContact O-N 2.71Å; Y60-T65 PolarHBondContact O-OG1 3.03Å; Y60-I76 HydrophobicContact CD1-CD1 4.24Å; Y60-I76 HydrophobicContact CD1-CG1 3.69Å; Y60-I76 HydrophobicContact CD1-CG2 4.42Å; Y60-I76 HydrophobicContact CD2-CG1 4.38Å; Y60-I76 HydrophobicContact CD2-CG2 3.75Å; Y60-I76 HydrophobicContact CE1-CG1 4.11Å; Y60-I76 HydrophobicContact CE1-CG2 4.46Å; Y60-I76 HydrophobicContact CE2-CG2 3.8Å; Y60-I76 HydrophobicContact CG-CD1 4.01Å; Y60-I76 HydrophobicContact CG-CG1 3.84Å; Y60-I76 HydrophobicContact CG-CG2 4.07Å; Y60-E80 HydrophobicContact CE2-CG 3.89Å; Y60-E80 WeakPolarHBondContact CE2-OE1 3.17Å; Y60-E80 VanDerWaalsContact CZ-OE1 3.26Å; Y60-E80 PolarHBondContact OH-OE1 3.28Å
61W89.7Confident85.5Confident38 Ų3870.2 Ų70.214%0.14437%0.372CS..SBendtrans-112.184.5177.7-160.8-77.3000111I35 S36 S37 K38 L41 L57 T65 L68I35-W61 HydrophobicContact CB-CZ3 4.37Å; I35-W61 HydrophobicContact CG2-CE3 4.36Å; I35-W61 HydrophobicContact CG2-CH2 4.32Å; I35-W61 HydrophobicContact CG2-CZ3 3.63Å; I35-W61 WeakPolarHBondContact O-CH2 3.05Å; S36-W61 VanDerWaalsContact C-CZ2 3.48Å; S37-W61 VanDerWaalsContact CA-CZ2 3.41Å; K38-W61 HydrophobicContact CB-CB 4.37Å; K38-W61 HydrophobicContact CB-CD2 4.25Å; K38-W61 HydrophobicContact CB-CG 3.83Å; K38-W61 HydrophobicContact CG-CB 4.17Å; K38-W61 HydrophobicContact CG-CG 4.16Å; L41-W61 HydrophobicContact CB-CE3 4.36Å; L41-W61 HydrophobicContact CD2-CB 4.2Å; L41-W61 HydrophobicContact CD2-CE3 4.28Å; L57-W61 WeakPolarHBondContact O-CA 3.42Å; L57-W61 WeakPolarHBondContact O-CB 3.47Å; L57-W61 PolarHBondContact O-N 2.95Å; W61-T65 HydrophobicContact CD2-CG2 4.2Å; W61-T65 HydrophobicContact CE3-CG2 4.01Å; W61-T65 HydrophobicContact CZ3-CG2 4.18Å; W61-L68 HydrophobicContact CE3-CD1 3.68Å; W61-L68 HydrophobicContact CE3-CG 4.16Å; W61-L68 HydrophobicContact CZ3-CB 4.45Å; W61-L68 HydrophobicContact CZ3-CD1 3.82Å; W61-L68 HydrophobicContact CZ3-CG 3.88Å
62T89Confident85.5Confident56 Ų5668.6 Ų68.634%0.34436%0.363SS..  trans-93.2171.617971.90000111.6R64 T65T62-R64 PolarHBondContact O-N 2.85Å; T62-R64 PolarHBondContact OG1-N 3.45Å; T62-T65 PolarHBondContact N-OG1 3.29Å; T62-T65 VanDerWaalsContact N-OG1 3.08Å; T62-T65 WeakPolarHBondContact O-CB 3.31Å; T62-T65 PolarHBondContact O-N 2.96Å; T62-T65 PolarHBondContact OG1-OG1 2.64Å
63S79.9Confident85.5Confident138 Ų13867.8 Ų67.897%0.96536%0.358SS*.THydrogen-bonded Turntrans-60.1-15.3173.1-44.80000114
64R81.4Confident85.4Confident230 Ų23065.8 Ų65.887%0.86834%0.344SS*.THydrogen-bonded Turntrans-92-13.9174.8-67.7-175.7-83.9-1202.1112.8T62 S66T62-R64 PolarHBondContact O-N 2.85Å; T62-R64 PolarHBondContact OG1-N 3.45Å; R64-S66 PolarHBondContact O-N 2.75Å
65T85.2Confident85.4Confident29 Ų2964.6 Ų64.618%0.17834%0.338CS..  trans-84.5108.7-179.9-49.80000109.5Y60 W61 T62 L68Y60-T65 PolarHBondContact O-OG1 3.03Å; W61-T65 HydrophobicContact CD2-CG2 4.2Å; W61-T65 HydrophobicContact CE3-CG2 4.01Å; W61-T65 HydrophobicContact CZ3-CG2 4.18Å; T62-T65 PolarHBondContact N-OG1 3.29Å; T62-T65 VanDerWaalsContact N-OG1 3.08Å; T62-T65 WeakPolarHBondContact O-CB 3.31Å; T62-T65 PolarHBondContact O-N 2.96Å; T62-T65 PolarHBondContact OG1-OG1 2.64Å; T65-L68 HydrophobicContact CG2-CD1 4.33Å; T65-L68 HydrophobicContact CG2-CD2 3.73Å; T65-L68 HydrophobicContact CG2-CG 3.81Å
66S85.1Confident85.6Confident95 Ų9562.3 Ų62.366%0.66432%0.318SS*.  trans-98-32.1176.658.80000113.2R64R64-S66 PolarHBondContact O-N 2.75Å
67K89Confident85.7Confident99 Ų9961.2 Ų61.243%0.4331%0.311SS..  trans-150.8144.8-179.4-62-179.2-176.4173.90109.3N34 I35 T612N34-K67 HydrophobicContact CB-CB 4.26Å; I35-K67 CarbonylContact O-C 3.54Å; I35-K67 VanDerWaalsContact O-CA 3.3Å; I35-K67 WeakPolarHBondContact O-CA 3.28Å; K67-T612 PolarHBondContact NZ-OG1 3.43Å
68L86.3Confident85.5Confident19 Ų1964.2 Ų64.210%0.09932%0.324CS..BIsolated β-bridgetrans-122.7134.7167.2-61.4170.4000109N34 I35 L41 W61 T65 D72 I76N34-L68 CarbonylContact C-O 3.57Å; N34-L68 WeakPolarHBondContact CA-O 3.12Å; I35-L68 HydrophobicContact CB-CB 4.17Å; I35-L68 HydrophobicContact CD1-CB 4.45Å; I35-L68 PolarHBondContact N-O 2.87Å; I35-L68 PolarHBondContact O-N 3.48Å; L41-L68 HydrophobicContact CD1-CD1 4.13Å; L41-L68 HydrophobicContact CD2-CD1 4.03Å; W61-L68 HydrophobicContact CE3-CD1 3.68Å; W61-L68 HydrophobicContact CE3-CG 4.16Å; W61-L68 HydrophobicContact CZ3-CB 4.45Å; W61-L68 HydrophobicContact CZ3-CD1 3.82Å; W61-L68 HydrophobicContact CZ3-CG 3.88Å; T65-L68 HydrophobicContact CG2-CD1 4.33Å; T65-L68 HydrophobicContact CG2-CD2 3.73Å; T65-L68 HydrophobicContact CG2-CG 3.81Å; L68-D72 WeakPolarHBondContact CA-OD2 3.46Å; L68-D72 HydrophobicContact CB-CB 4.1Å; L68-D72 HydrophobicContact CD2-CB 4.03Å; L68-I76 HydrophobicContact CD1-CD1 3.93Å
69N80.5Confident85.3Confident56 Ų5663.9 Ų63.930%0.29933%0.327SS..  trans-90.6-175.1177.966.949.5000111.2D71 D72 F73N69-D71 WeakPolarHBondContact OD1-CA 3.36Å; N69-D71 WeakPolarHBondContact OD1-CB 3.42Å; N69-D71 PolarHBondContact OD1-N 2.94Å; N69-D72 PolarHBondContact N-OD2 2.97Å; N69-D72 PolarHBondContact ND2-OD2 3.08Å; N69-D72 VanDerWaalsContact ND2-OD2 3.1Å; N69-D72 PolarHBondContact OD1-N 3.39Å; N69-D72 PolarHBondContact OD1-OD2 3.16Å; N69-F73 PolarHBondContact O-N 2.97Å
70F75.6Confident85Confident18 Ų1859.4 Ų59.48%0.07931%0.308CS..Hα-helixtrans-66.9-36.9-179.7179.9-101.6000112.7Y17 C20 R21 Y24 F73 C74 M573Y17-F70 HydrophobicContact CD1-CE1 4.48Å; C20-F70 HydrophobicContact CB-CE2 4.22Å; C20-F70 HydrophobicContact CB-CZ 3.84Å; R21-F70 HydrophobicContact CB-CE2 4.38Å; R21-F70 HydrophobicContact CB-CZ 4.01Å; Y24-F70 AromaticContact CD1-CD2 3.88Å; Y24-F70 HydrophobicContact CD1-CD2 3.88Å; Y24-F70 AromaticContact CD2-CD2 3.53Å; Y24-F70 HydrophobicContact CD2-CD2 3.53Å; Y24-F70 HydrophobicContact CD2-CE2 4.11Å; Y24-F70 HydrophobicContact CE1-CB 4.46Å; Y24-F70 HydrophobicContact CE1-CD2 4.24Å; Y24-F70 HydrophobicContact CE2-CB 4.32Å; Y24-F70 AromaticContact CE2-CD2 3.92Å; Y24-F70 HydrophobicContact CE2-CD2 3.92Å; Y24-F70 AromaticContact CG-CD2 3.48Å; Y24-F70 HydrophobicContact CG-CD2 3.48Å; Y24-F70 VanDerWaalsContact CG-CD2 3.48Å; Y24-F70 AromaticContact CG-CE2 3.91Å; Y24-F70 HydrophobicContact CG-CE2 3.91Å; Y24-F70 PolarHBondContact OH-N 2.97Å; F70-F73 HydrophobicContact CD2-CD1 4.32Å; F70-F73 HydrophobicContact CE2-CD1 4.24Å; F70-F73 WeakPolarHBondContact O-CB 3.16Å; F70-F73 PolarHBondContact O-N 3.25Å; F70-C74 WeakPolarHBondContact CE1-SG 3.38Å; F70-C74 PolarHBondContact O-N 3.49Å; F70-M573 HydrophobicContact CD1-CE 3.69Å; F70-M573 HydrophobicContact CE1-CE 3.44Å; F70-M573 VanDerWaalsContact CE1-CE 3.44Å
71D77.6Confident84.6Confident66 Ų6667.9 Ų67.935%0.35334%0.34SS..Hα-helixtrans-69.4-42.9-179.5-57-28.4000110.3N69 F73 C74 E75N69-D71 WeakPolarHBondContact OD1-CA 3.36Å; N69-D71 WeakPolarHBondContact OD1-CB 3.42Å; N69-D71 PolarHBondContact OD1-N 2.94Å; D71-F73 PolarHBondContact O-N 2.85Å; D71-C74 WeakPolarHBondContact O-CB 3.18Å; D71-C74 PolarHBondContact O-N 2.79Å; D71-C74 VanDerWaalsContact O-N 3.08Å; D71-E75 WeakPolarHBondContact O-CG 3.29Å; D71-E75 PolarHBondContact O-N 3.31Å
72D85.9Confident84.3Confident61 Ų6170.6 Ų70.633%0.32635%0.353SS..Hα-helixtrans-56-40.5172.4-57.8-36.4000110.9L68 N69 E75 I76L68-D72 WeakPolarHBondContact CA-OD2 3.46Å; L68-D72 HydrophobicContact CB-CB 4.1Å; L68-D72 HydrophobicContact CD2-CB 4.03Å; N69-D72 PolarHBondContact N-OD2 2.97Å; N69-D72 PolarHBondContact ND2-OD2 3.08Å; N69-D72 VanDerWaalsContact ND2-OD2 3.1Å; N69-D72 PolarHBondContact OD1-N 3.39Å; N69-D72 PolarHBondContact OD1-OD2 3.16Å; D72-E75 PolarHBondContact O-N 3.41Å; D72-I76 WeakPolarHBondContact O-CD1 3.28Å; D72-I76 WeakPolarHBondContact O-CG1 3.37Å; D72-I76 PolarHBondContact O-N 2.97Å
73F89.6Confident83.9Confident0 Ų070.7 Ų70.70%035%0.353CS..Hα-helixtrans-66.2-42.6176164-103.9000112.6C20 A23 Y24 I35 V44 L45 A48 N69 F70 D71 E75 I76 L77C20-F73 HydrophobicContact CB-CE1 3.96Å; A23-F73 HydrophobicContact CB-CZ 4.41Å; Y24-F73 HydrophobicContact CD2-CB 4.18Å; Y24-F73 AromaticContact CD2-CD1 3.56Å; Y24-F73 HydrophobicContact CD2-CD1 3.56Å; Y24-F73 HydrophobicContact CD2-CE1 4.13Å; Y24-F73 AromaticContact CD2-CG 3.87Å; Y24-F73 HydrophobicContact CD2-CG 3.87Å; Y24-F73 HydrophobicContact CE2-CB 3.9Å; Y24-F73 HydrophobicContact CE2-CD1 4.16Å; Y24-F73 HydrophobicContact CE2-CG 4.09Å; I35-F73 HydrophobicContact CD1-CB 4.17Å; V44-F73 HydrophobicContact CB-CD2 4.42Å; V44-F73 HydrophobicContact CB-CE2 4.18Å; V44-F73 HydrophobicContact CG1-CD1 4.24Å; V44-F73 HydrophobicContact CG1-CD2 3.72Å; V44-F73 HydrophobicContact CG1-CE1 3.92Å; V44-F73 HydrophobicContact CG1-CE2 3.39Å; V44-F73 HydrophobicContact CG1-CG 4.13Å; V44-F73 HydrophobicContact CG1-CZ 3.5Å; L45-F73 HydrophobicContact CD2-CD2 4.33Å; L45-F73 HydrophobicContact CD2-CE2 3.84Å; L45-F73 HydrophobicContact CG-CE2 4.29Å; A48-F73 HydrophobicContact CB-CZ 4Å; N69-F73 PolarHBondContact O-N 2.97Å; F70-F73 HydrophobicContact CD2-CD1 4.32Å; F70-F73 HydrophobicContact CE2-CD1 4.24Å; F70-F73 WeakPolarHBondContact O-CB 3.16Å; F70-F73 PolarHBondContact O-N 3.25Å; D71-F73 PolarHBondContact O-N 2.85Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.25Å; F73-I76 PolarHBondContact O-N 3.49Å; F73-L77 HydrophobicContact CE2-CD1 4.49Å; F73-L77 HydrophobicContact CZ-CD1 4.46Å; F73-L77 HydrophobicContact CZ-CD2 4.2Å; F73-L77 WeakPolarHBondContact O-CB 3.25Å; F73-L77 PolarHBondContact O-N 3.15Å
74C83.9Confident84Confident1 Ų169.9 Ų69.91%0.00734%0.335CS..Hα-helixtrans-59.5-44.4175.1-74.90000111.5Y17 C20 F70 D71 L77 K78Y17-C74 HydrophobicContact CE1-CB 4.11Å; C20-C74 VanDerWaalsContact CB-SG 3.57Å; F70-C74 WeakPolarHBondContact CE1-SG 3.38Å; F70-C74 PolarHBondContact O-N 3.49Å; D71-C74 WeakPolarHBondContact O-CB 3.18Å; D71-C74 PolarHBondContact O-N 2.79Å; D71-C74 VanDerWaalsContact O-N 3.08Å; C74-L77 PolarHBondContact O-N 3.42Å; C74-K78 WeakPolarHBondContact O-CG 3.21Å; C74-K78 PolarHBondContact O-N 3.02Å
75E84.2Confident84.1Confident95 Ų9562.2 Ų62.244%0.44431%0.308SS..Hα-helixtrans-64-42.2177.1-67.2-53126.400111.9D71 D72 F73 L77 K78 C79D71-E75 WeakPolarHBondContact O-CG 3.29Å; D71-E75 PolarHBondContact O-N 3.31Å; D72-E75 PolarHBondContact O-N 3.41Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.25Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.43Å; E75-K78 PolarHBondContact O-N 2.97Å; E75-K78 IonicContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact OE1-NZ 3.17Å; E75-C79 PolarHBondContact O-N 2.93Å; E75-C79 VanDerWaalsContact O-N 3.14Å; E75-C79 PolarHBondContact O-SG 3.49Å
76I90.1Very high84Confident11 Ų1163.3 Ų63.36%0.05632%0.321CS..Hα-helixtrans-58.5-44173-67.7164.2000110.7L41 L45 Y60 L68 D72 F73 K78 C79 E80L41-I76 HydrophobicContact CD1-CD1 4.09Å; L45-I76 HydrophobicContact CD1-CG2 4.43Å; L45-I76 HydrophobicContact CD2-CG2 3.96Å; Y60-I76 HydrophobicContact CD1-CD1 4.24Å; Y60-I76 HydrophobicContact CD1-CG1 3.69Å; Y60-I76 HydrophobicContact CD1-CG2 4.42Å; Y60-I76 HydrophobicContact CD2-CG1 4.38Å; Y60-I76 HydrophobicContact CD2-CG2 3.75Å; Y60-I76 HydrophobicContact CE1-CG1 4.11Å; Y60-I76 HydrophobicContact CE1-CG2 4.46Å; Y60-I76 HydrophobicContact CE2-CG2 3.8Å; Y60-I76 HydrophobicContact CG-CD1 4.01Å; Y60-I76 HydrophobicContact CG-CG1 3.84Å; Y60-I76 HydrophobicContact CG-CG2 4.07Å; L68-I76 HydrophobicContact CD1-CD1 3.93Å; D72-I76 WeakPolarHBondContact O-CD1 3.28Å; D72-I76 WeakPolarHBondContact O-CG1 3.37Å; D72-I76 PolarHBondContact O-N 2.97Å; F73-I76 PolarHBondContact O-N 3.49Å; I76-K78 VanDerWaalsContact C-N 3.32Å; I76-K78 PolarHBondContact O-N 2.91Å; I76-C79 PolarHBondContact O-N 3.33Å; I76-E80 HydrophobicContact CG2-CG 4.22Å; I76-E80 WeakPolarHBondContact O-CG 3.29Å; I76-E80 PolarHBondContact O-N 3.37Å
77L88.4Confident83.9Confident4 Ų463.6 Ų63.62%0.02131%0.312CS..Hα-helixtrans-69.2-28.6-178.1-16273.2000113.1F16 C20 L45 A48 R50 F73 C74 E75 E80F16-L77 HydrophobicContact CE2-CD2 4.06Å; F16-L77 HydrophobicContact CE2-CG 4.38Å; F16-L77 HydrophobicContact CZ-CB 4.3Å; F16-L77 HydrophobicContact CZ-CD2 4.31Å; C20-L77 WeakPolarHBondContact SG-CD2 3.32Å; L45-L77 HydrophobicContact CD2-CD1 3.96Å; A48-L77 HydrophobicContact CB-CD1 3.6Å; A48-L77 HydrophobicContact CB-CD2 3.84Å; A48-L77 HydrophobicContact CB-CG 4.41Å; R50-L77 HydrophobicContact CG-CD1 3.54Å; R50-L77 PolarHBondContact NH2-O 3.09Å; F73-L77 HydrophobicContact CE2-CD1 4.49Å; F73-L77 HydrophobicContact CZ-CD1 4.46Å; F73-L77 HydrophobicContact CZ-CD2 4.2Å; F73-L77 WeakPolarHBondContact O-CB 3.25Å; F73-L77 PolarHBondContact O-N 3.15Å; C74-L77 PolarHBondContact O-N 3.42Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.43Å; L77-E80 VanDerWaalsContact O-O 3.07Å
78K85.7Confident83.6Confident74 Ų7460.4 Ų60.432%0.32230%0.299SS..Hα-helixtrans-67.1-39.5170.7-71.1176.5-174.8167.90111.6F16 Y17 C74 E75 I76F16-K78 HydrophobicContact CE1-CD 4.42Å; F16-K78 HydrophobicContact CE1-CG 3.83Å; F16-K78 HydrophobicContact CE2-CG 4.27Å; F16-K78 HydrophobicContact CZ-CG 3.48Å; F16-K78 VanDerWaalsContact CZ-CG 3.48Å; Y17-K78 PolarHBondContact OH-NZ 3.08Å; C74-K78 WeakPolarHBondContact O-CG 3.21Å; C74-K78 PolarHBondContact O-N 3.02Å; E75-K78 PolarHBondContact O-N 2.97Å; E75-K78 IonicContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact OE1-NZ 3.17Å; I76-K78 VanDerWaalsContact C-N 3.32Å; I76-K78 PolarHBondContact O-N 2.91Å
79C83.9Confident83.5Confident82 Ų8260.9 Ų60.955%0.55430%0.302SS*.Hα-helixtrans-76.2-28.3179.4-650000113.5E75 I76E75-C79 PolarHBondContact O-N 2.93Å; E75-C79 VanDerWaalsContact O-N 3.14Å; E75-C79 PolarHBondContact O-SG 3.49Å; I76-C79 PolarHBondContact O-N 3.33Å
80E85Confident83.8Confident36 Ų3665.7 Ų65.717%0.16832%0.315CS..SBendtrans-91.9118.2-179.4-67-56.9132.600111.6R50 T56 K59 Y60 I76 L77R50-E80 VanDerWaalsContact CZ-O 3.26Å; R50-E80 PolarHBondContact NE-O 3.14Å; R50-E80 PolarHBondContact NH2-O 2.85Å; T56-E80 VanDerWaalsContact CG2-CD 3.44Å; T56-E80 HydrophobicContact CG2-CG 4.06Å; T56-E80 VanDerWaalsContact CG2-OE2 3.27Å; T56-E80 WeakPolarHBondContact CG2-OE2 3.31Å; K59-E80 IonicContact NZ-OE1 3.46Å; Y60-E80 HydrophobicContact CE2-CG 3.89Å; Y60-E80 WeakPolarHBondContact CE2-OE1 3.17Å; Y60-E80 VanDerWaalsContact CZ-OE1 3.26Å; Y60-E80 PolarHBondContact OH-OE1 3.28Å; I76-E80 HydrophobicContact CG2-CG 4.22Å; I76-E80 WeakPolarHBondContact O-CG 3.29Å; I76-E80 PolarHBondContact O-N 3.37Å; L77-E80 VanDerWaalsContact O-O 3.07Å
81R80.8Confident84.2Confident218 Ų21867.3 Ų67.382%0.82333%0.332SS*.PPolyproline II helixtrans-75.4154176.6-63.8-174.9-170.9164.11.5111.5R50R50-R81 WeakPolarHBondContact CD-O 3.36Å; R50-R81 PolarHBondContact NE-O 2.95Å
82K82.7Confident84.5Confident94 Ų9465.5 Ų65.541%0.40932%0.322SS..PPolyproline II helixtrans-68.4141.6168-70-172.1-177.6-170.50108.6R50 E84R50-K82 VanDerWaalsContact CZ-CG 3.49Å; K82-E84 PolarHBondContact O-N 3.5Å
83T81.2Confident84.5Confident58 Ų5870.5 Ų70.536%0.35634%0.336SS..PPolyproline II helixtrans-74.7119.2172.1-51.60000108.5L88T83-L88 HydrophobicContact CG2-CD1 3.68Å; T83-L88 HydrophobicContact CG2-CD2 3.87Å; T83-L88 HydrophobicContact CG2-CG 3.56Å
84E82.4Confident84.2Confident122 Ų12278.6 Ų78.657%0.5737%0.371SS*.PPolyproline II helixtrans-86.7146.2177.8-64.3-176.218000111.3K82 A86 E87 L88K82-E84 PolarHBondContact O-N 3.5Å; E84-A86 PolarHBondContact O-N 2.79Å; E84-E87 HydrophobicContact CB-CG 4.39Å; E84-E87 PolarHBondContact O-N 2.85Å; E84-E87 VanDerWaalsContact O-N 3.15Å; E84-L88 PolarHBondContact O-N 2.85Å
85E83.4Confident84.1Confident68 Ų6880.7 Ų80.732%0.31838%0.382SS..Hα-helixtrans-55.1-40.3176.2-171.4-174.9161.100111.3E87 L88 L89 C145 R146 V149E85-E87 VanDerWaalsContact C-N 3.33Å; E85-E87 PolarHBondContact O-N 2.77Å; E85-L88 PolarHBondContact O-N 2.85Å; E85-L89 HydrophobicContact CG-CD1 3.93Å; E85-L89 HydrophobicContact CG-CG 4.23Å; E85-L89 WeakPolarHBondContact O-CB 3.34Å; E85-L89 VanDerWaalsContact O-CG 3.27Å; E85-L89 WeakPolarHBondContact O-CG 3.45Å; E85-L89 PolarHBondContact O-N 2.85Å; E85-C145 HydrophobicContact CG-CB 4.14Å; E85-R146 WeakPolarHBondContact OE1-CG 3.31Å; E85-V149 HydrophobicContact CB-CG2 4.2Å
86A82.1Confident84.1Confident53 Ų5376.6 Ų76.644%0.43836%0.363SS..Hα-helixtrans-62.8-36.4-179.400000113.1E84 R90E84-A86 PolarHBondContact O-N 2.79Å; A86-R90 WeakPolarHBondContact O-CB 3.36Å; A86-R90 PolarHBondContact O-N 3.49Å
87E83.7Confident83.6Confident101 Ų10182.2 Ų82.247%0.47240%0.397SS..Hα-helixtrans-70.2-42.3176.9-68.5-168.8151.700111.5E84 E85 R90 A91E84-E87 HydrophobicContact CB-CG 4.39Å; E84-E87 PolarHBondContact O-N 2.85Å; E84-E87 VanDerWaalsContact O-N 3.15Å; E85-E87 VanDerWaalsContact C-N 3.33Å; E85-E87 PolarHBondContact O-N 2.77Å; E87-R90 PolarHBondContact O-N 2.7Å; E87-A91 PolarHBondContact O-N 2.92Å; E87-A91 VanDerWaalsContact O-N 3.09Å
88L83.3Confident83.3Confident31 Ų3188.2 Ų88.216%0.16243%0.43CS..Hα-helixtrans-62.4-48.1175.3-71.5166.1000111.3T83 E84 E85 R90 A91 F92 C145 L148 V149T83-L88 HydrophobicContact CG2-CD1 3.68Å; T83-L88 HydrophobicContact CG2-CD2 3.87Å; T83-L88 HydrophobicContact CG2-CG 3.56Å; E84-L88 PolarHBondContact O-N 2.85Å; E85-L88 PolarHBondContact O-N 2.85Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.09Å; L88-A91 WeakPolarHBondContact O-CB 3.5Å; L88-A91 PolarHBondContact O-N 2.78Å; L88-A91 VanDerWaalsContact O-N 3.08Å; L88-F92 VanDerWaalsContact O-CD2 3.27Å; L88-F92 WeakPolarHBondContact O-CD2 3.22Å; L88-F92 PolarHBondContact O-N 2.79Å; L88-C145 HydrophobicContact CB-CB 4.23Å; L88-C145 VanDerWaalsContact CB-SG 3.52Å; L88-L148 HydrophobicContact CD1-CD2 4.02Å; L88-L148 HydrophobicContact CD2-CD2 4.35Å; L88-V149 HydrophobicContact CD1-CG2 4Å
89L84.4Confident83.1Confident30 Ų3090 Ų9016%0.15745%0.45CS..Hα-helixtrans-57.4-42.1176.5-74.6172.6000111.6E85 A91 F92 R93 Y141 A142 C145E85-L89 HydrophobicContact CG-CD1 3.93Å; E85-L89 HydrophobicContact CG-CG 4.23Å; E85-L89 WeakPolarHBondContact O-CB 3.34Å; E85-L89 VanDerWaalsContact O-CG 3.27Å; E85-L89 WeakPolarHBondContact O-CG 3.45Å; E85-L89 PolarHBondContact O-N 2.85Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 2.96Å; L89-F92 PolarHBondContact O-N 2.9Å; L89-R93 WeakPolarHBondContact O-CB 3.24Å; L89-R93 VanDerWaalsContact O-CG 3.28Å; L89-R93 WeakPolarHBondContact O-CG 3.38Å; L89-R93 PolarHBondContact O-N 2.76Å; L89-Y141 HydrophobicContact CD2-CD2 3.92Å; L89-Y141 HydrophobicContact CD2-CE2 4.04Å; L89-A142 HydrophobicContact CD2-CB 3.94Å; L89-C145 HydrophobicContact CD2-CB 4.21Å; L89-C145 HydrophobicContact CG-CB 4.34Å
90R85.4Confident83.1Confident156 Ų15689.4 Ų89.459%0.58944%0.442SS*.Hα-helixtrans-63.9-35.8177.4-170.5-173.9-65.6129.6-2.2111.9A86 E87 L88A86-R90 WeakPolarHBondContact O-CB 3.36Å; A86-R90 PolarHBondContact O-N 3.49Å; E87-R90 PolarHBondContact O-N 2.7Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.09Å
91A83.8Confident83Confident53 Ų5388.7 Ų88.744%0.43844%0.444SS..Hα-helixtrans-69.3-46.6176.800000111.7E87 L88 L89 R93 K94E87-A91 PolarHBondContact O-N 2.92Å; E87-A91 VanDerWaalsContact O-N 3.09Å; L88-A91 WeakPolarHBondContact O-CB 3.5Å; L88-A91 PolarHBondContact O-N 2.78Å; L88-A91 VanDerWaalsContact O-N 3.08Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 2.96Å; A91-R93 PolarHBondContact O-N 3.04Å; A91-K94 WeakPolarHBondContact O-CB 3.45Å; A91-K94 PolarHBondContact O-N 2.73Å
92F84.7Confident83.3Confident28 Ų2883 Ų8312%0.12342%0.423CS..Hα-helixtrans-67.3-34.9179.1-78.2-69.5000113.3L88 L89 K94 L95 D96 I103 L108 Y141 F144 C145L88-F92 VanDerWaalsContact O-CD2 3.27Å; L88-F92 WeakPolarHBondContact O-CD2 3.22Å; L88-F92 PolarHBondContact O-N 2.79Å; L89-F92 PolarHBondContact O-N 2.9Å; F92-K94 PolarHBondContact O-N 3.21Å; F92-K94 VanDerWaalsContact O-N 3.13Å; F92-L95 HydrophobicContact CD1-CD1 4.21Å; F92-L95 WeakPolarHBondContact O-CB 3.48Å; F92-L95 PolarHBondContact O-N 3.14Å; F92-D96 PolarHBondContact O-N 2.65Å; F92-I103 HydrophobicContact CB-CD1 3.99Å; F92-I103 HydrophobicContact CD1-CD1 3.42Å; F92-I103 VanDerWaalsContact CD1-CD1 3.42Å; F92-I103 HydrophobicContact CE1-CD1 4.31Å; F92-I103 HydrophobicContact CG-CD1 4.15Å; F92-L108 HydrophobicContact CE1-CD1 4.09Å; F92-Y141 HydrophobicContact CB-CD1 4.39Å; F92-Y141 HydrophobicContact CB-CD2 3.62Å; F92-Y141 HydrophobicContact CB-CE2 4.32Å; F92-Y141 HydrophobicContact CB-CG 3.68Å; F92-Y141 HydrophobicContact CG-CD2 4.45Å; F92-Y141 HydrophobicContact CG-CG 4.29Å; F92-F144 AromaticContact CE2-CD1 4Å; F92-F144 HydrophobicContact CE2-CD1 4Å; F92-F144 HydrophobicContact CE2-CE1 4.18Å; F92-F144 AromaticContact CZ-CD1 3.83Å; F92-F144 HydrophobicContact CZ-CD1 3.83Å; F92-F144 AromaticContact CZ-CE1 3.79Å; F92-F144 HydrophobicContact CZ-CE1 3.79Å; F92-C145 VanDerWaalsContact CD2-SG 3.54Å
93R86Confident83.4Confident165 Ų16578.6 Ų78.662%0.62340%0.404SS*.Hα-helixtrans-57.9-25.2172.9-79.7179.6-173.4-166.74.8114L89 A91 L95 Y141L89-R93 WeakPolarHBondContact O-CB 3.24Å; L89-R93 VanDerWaalsContact O-CG 3.28Å; L89-R93 WeakPolarHBondContact O-CG 3.38Å; L89-R93 PolarHBondContact O-N 2.76Å; A91-R93 PolarHBondContact O-N 3.04Å; R93-L95 PolarHBondContact O-N 2.73Å; R93-Y141 HydrophobicContact CG-CE2 4.08Å
94K84Confident83.6Confident170 Ų17078.5 Ų78.574%0.73940%0.403SS*.THydrogen-bonded Turntrans-74.4-17.5175.4-65.4177.9-179.7-1780113A91 F92A91-K94 WeakPolarHBondContact O-CB 3.45Å; A91-K94 PolarHBondContact O-N 2.73Å; F92-K94 PolarHBondContact O-N 3.21Å; F92-K94 VanDerWaalsContact O-N 3.13Å
95L81.3Confident83.7Confident46 Ų4675.1 Ų75.124%0.24139%0.387CS..THydrogen-bonded Turntrans-96.2-25.4179.9-54.5177.7000111.9F92 R93 V97 I103 T111F92-L95 HydrophobicContact CD1-CD1 4.21Å; F92-L95 WeakPolarHBondContact O-CB 3.48Å; F92-L95 PolarHBondContact O-N 3.14Å; R93-L95 PolarHBondContact O-N 2.73Å; L95-V97 PolarHBondContact O-N 2.77Å; L95-V97 VanDerWaalsContact O-N 3.13Å; L95-I103 HydrophobicContact CB-CD1 3.97Å; L95-I103 HydrophobicContact CD1-CD1 4.41Å; L95-T111 HydrophobicContact CD1-CG2 3.82Å; L95-T111 HydrophobicContact CD2-CG2 3.66Å; L95-T111 HydrophobicContact CG-CG2 4.4Å
96D84Confident83.6Confident9 Ų975.5 Ų75.55%0.04840%0.398CS..  trans-80.382.9174.3-1809.2000110.9F92 N98 C99 D100 G101 I103 Y141F92-D96 PolarHBondContact O-N 2.65Å; D96-N98 PolarHBondContact O-N 2.92Å; D96-N98 PolarHBondContact OD1-N 2.69Å; D96-C99 PolarHBondContact O-N 2.85Å; D96-C99 WeakPolarHBondContact OD1-CA 3.39Å; D96-C99 PolarHBondContact OD1-N 2.83Å; D96-C99 VanDerWaalsContact OD2-C 3.31Å; D96-C99 VanDerWaalsContact OD2-CA 3.26Å; D96-C99 WeakPolarHBondContact OD2-CA 3.5Å; D96-D100 PolarHBondContact OD1-N 3.25Å; D96-D100 PolarHBondContact OD2-N 3.32Å; D96-D100 VanDerWaalsContact OD2-N 3.11Å; D96-G101 PolarHBondContact OD2-N 3.07Å; D96-I103 HydrophobicContact CB-CG1 4.39Å; D96-Y141 HydrophobicContact CB-CE1 3.99Å
97V79.5Confident83.7Confident128 Ų12875.6 Ų75.678%0.77639%0.393SS*.THydrogen-bonded Turntrans-62.6-28.3179.3179.20000112.2L95L95-V97 PolarHBondContact O-N 2.77Å; L95-V97 VanDerWaalsContact O-N 3.13Å
98N81.5Confident83.6Confident131 Ų13171 Ų7170%0.70137%0.371SS*.THydrogen-bonded Turntrans-92.1-6.8-175.1-61.1-28.6000112.6D96 D100D96-N98 PolarHBondContact O-N 2.92Å; D96-N98 PolarHBondContact OD1-N 2.69Å; N98-D100 PolarHBondContact O-N 3.01Å
99C82.7Confident83.6Confident110 Ų11073 Ų7374%0.74338%0.38SS*.  trans52.831.4-176.1-63.40000113.1D96D96-C99 PolarHBondContact O-N 2.85Å; D96-C99 WeakPolarHBondContact OD1-CA 3.39Å; D96-C99 PolarHBondContact OD1-N 2.83Å; D96-C99 VanDerWaalsContact OD2-C 3.31Å; D96-C99 VanDerWaalsContact OD2-CA 3.26Å; D96-C99 WeakPolarHBondContact OD2-CA 3.5Å
100D83.6Confident83.5Confident71 Ų7178.9 Ų78.938%0.3840%0.404SS..SBendtrans-89.6-4-176.973.9-3.6000113D96 N98 Y102 K138D96-D100 PolarHBondContact OD1-N 3.25Å; D96-D100 PolarHBondContact OD2-N 3.32Å; D96-D100 VanDerWaalsContact OD2-N 3.11Å; N98-D100 PolarHBondContact O-N 3.01Å; D100-Y102 VanDerWaalsContact C-N 3.35Å; D100-Y102 WeakPolarHBondContact O-CD2 3.32Å; D100-Y102 WeakPolarHBondContact O-CE2 3.5Å; D100-Y102 WeakPolarHBondContact OD1-CB 3.4Å; D100-Y102 PolarHBondContact OD1-N 3.18Å; D100-K138 IonicContact OD2-NZ 3.98Å
101G83.1Confident83.4Confident21 Ų2172.9 Ų72.922%0.21639%0.385CS..SBendtrans88.22.5-178.800000113.7D96 Y141D96-G101 PolarHBondContact OD2-N 3.07Å; G101-Y141 VanDerWaalsContact CA-CE1 3.47Å; G101-Y141 WeakPolarHBondContact O-CD1 3.43Å; G101-Y141 WeakPolarHBondContact O-CE1 3.31Å
102Y86.8Confident83.3Confident97 Ų9772.7 Ų72.738%0.3838%0.376SS..EExtended strand (participates in β ladder)trans-127.2150.1-175.6-59.9-88.8000112.4D100 K138 L139 D140D100-Y102 VanDerWaalsContact C-N 3.35Å; D100-Y102 WeakPolarHBondContact O-CD2 3.32Å; D100-Y102 WeakPolarHBondContact O-CE2 3.5Å; D100-Y102 WeakPolarHBondContact OD1-CB 3.4Å; D100-Y102 PolarHBondContact OD1-N 3.18Å; Y102-K138 HydrophobicContact CD1-CB 4.25Å; Y102-K138 HydrophobicContact CG-CD 4.4Å; Y102-L139 WeakPolarHBondContact CA-O 3.33Å; Y102-D140 HydrophobicContact CD1-CB 4.23Å; Y102-D140 HydrophobicContact CE1-CB 4.02Å
103I85.6Confident83.2Confident3 Ų373.7 Ų73.72%0.01539%0.385CS..EExtended strand (participates in β ladder)trans-122.6123.6173.3-62167.9000108.6F92 L95 D96 V107 L108 L139 Y141F92-I103 HydrophobicContact CB-CD1 3.99Å; F92-I103 HydrophobicContact CD1-CD1 3.42Å; F92-I103 VanDerWaalsContact CD1-CD1 3.42Å; F92-I103 HydrophobicContact CE1-CD1 4.31Å; F92-I103 HydrophobicContact CG-CD1 4.15Å; L95-I103 HydrophobicContact CB-CD1 3.97Å; L95-I103 HydrophobicContact CD1-CD1 4.41Å; D96-I103 HydrophobicContact CB-CG1 4.39Å; I103-V107 HydrophobicContact CG2-CB 4.08Å; I103-V107 HydrophobicContact CG2-CG1 3.98Å; I103-L108 HydrophobicContact CG2-CB 3.96Å; I103-L139 PolarHBondContact N-O 3.48Å; I103-L139 PolarHBondContact O-N 2.77Å; I103-Y141 HydrophobicContact CD1-CD1 3.94Å; I103-Y141 HydrophobicContact CD1-CG 4.3Å; I103-Y141 HydrophobicContact CG1-CD1 3.96Å
104T85.2Confident82.8Confident56 Ų5669 Ų6934%0.34438%0.377SS..EExtended strand (participates in β ladder)trans-67.5147.1176.854.90000110.9S106 V107 L108 K138T104-S106 PolarHBondContact O-N 2.73Å; T104-S106 VanDerWaalsContact O-N 3.14Å; T104-S106 PolarHBondContact OG1-OG 2.98Å; T104-V107 PolarHBondContact O-N 2.7Å; T104-V107 VanDerWaalsContact OG1-CG2 3.23Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.49Å; T104-L108 PolarHBondContact O-N 3.46Å; T104-K138 HydrophobicContact CG2-CG 4.39Å
105H82.7Confident82.1Confident50 Ų5064.2 Ų64.223%0.23137%0.365CS..Hα-helixtrans-53.2-37.6178.7-73.4-177.4000113.1V107 L108 E109 D132 G137H105-V107 PolarHBondContact O-N 3.34Å; H105-L108 PolarHBondContact O-N 2.9Å; H105-E109 WeakPolarHBondContact O-CB 3.45Å; H105-E109 PolarHBondContact O-N 2.94Å; H105-D132 IonicContact CE1-OD2 4Å; H105-D132 PolarHBondContact CE1-OD2 2.91Å; H105-D132 IonicContact NE2-OD2 3.09Å; H105-D132 PolarHBondContact NE2-OD2 2.87Å; H105-G137 PolarHBondContact CD2-O 3Å; H105-G137 PolarHBondContact N-O 2.88Å; H105-G137 VanDerWaalsContact N-O 3.13Å
106S82.3Confident81.8Confident77 Ų7765.7 Ų65.754%0.53839%0.391SS..Hα-helixtrans-65.8-36.1178.359.40000113.4T104 K110T104-S106 PolarHBondContact O-N 2.73Å; T104-S106 VanDerWaalsContact O-N 3.14Å; T104-S106 PolarHBondContact OG1-OG 2.98Å; S106-K110 WeakPolarHBondContact O-CB 3.46Å; S106-K110 PolarHBondContact O-N 2.92Å
107V83.2Confident81.4Confident55 Ų5569 Ų6933%0.33341%0.407SS..Hα-helixtrans-72.9-43176.6172.20000109.9I103 T104 H105 T111I103-V107 HydrophobicContact CG2-CB 4.08Å; I103-V107 HydrophobicContact CG2-CG1 3.98Å; T104-V107 PolarHBondContact O-N 2.7Å; T104-V107 VanDerWaalsContact OG1-CG2 3.23Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.49Å; H105-V107 PolarHBondContact O-N 3.34Å; V107-T111 VanDerWaalsContact O-CB 3.32Å; V107-T111 WeakPolarHBondContact O-CB 3.21Å; V107-T111 PolarHBondContact O-N 3.2Å; V107-T111 PolarHBondContact O-OG1 2.93Å
108L82.4Confident81.5Confident4 Ų470.2 Ų70.22%0.02140%0.402CS..Hα-helixtrans-63.1-46.9177.3-172.361.5000111.5F92 I103 T104 H105 T111 L112 L139F92-L108 HydrophobicContact CE1-CD1 4.09Å; I103-L108 HydrophobicContact CG2-CB 3.96Å; T104-L108 PolarHBondContact O-N 3.46Å; H105-L108 PolarHBondContact O-N 2.9Å; L108-T111 PolarHBondContact O-N 2.81Å; L108-L112 HydrophobicContact CD1-CD1 3.79Å; L108-L112 HydrophobicContact CD1-CG 4.1Å; L108-L112 HydrophobicContact CG-CD1 3.83Å; L108-L112 HydrophobicContact CG-CG 4.41Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.99Å; L108-L139 HydrophobicContact CD2-CD2 3.65Å
109E83Confident81.4Confident73 Ų7366.8 Ų66.834%0.34138%0.382SS..Hα-helixtrans-61.4-48.9176.9179.3-179.2-166.700111.6H105 T111 L112 T113 V124H105-E109 WeakPolarHBondContact O-CB 3.45Å; H105-E109 PolarHBondContact O-N 2.94Å; E109-T111 PolarHBondContact O-N 2.86Å; E109-L112 PolarHBondContact O-N 2.83Å; E109-T113 HydrophobicContact CG-CG2 4.31Å; E109-T113 WeakPolarHBondContact O-CB 3.2Å; E109-T113 VanDerWaalsContact O-CG2 3.24Å; E109-T113 WeakPolarHBondContact O-CG2 3.28Å; E109-T113 PolarHBondContact O-N 2.83Å; E109-T113 PolarHBondContact O-OG1 2.85Å; E109-V124 HydrophobicContact CB-CG1 3.8Å; E109-V124 HydrophobicContact CG-CG1 4.05Å
110K83.1Confident81.5Confident153 Ų15364.8 Ų64.867%0.66537%0.367SS*.Hα-helixtrans-58.5-39.8175.8-173.9178.2179.7-177.50111.2S106 T113 S114S106-K110 WeakPolarHBondContact O-CB 3.46Å; S106-K110 PolarHBondContact O-N 2.92Å; K110-T113 PolarHBondContact O-OG1 3.03Å; K110-S114 WeakPolarHBondContact O-CB 3.08Å; K110-S114 PolarHBondContact O-N 3.24Å; K110-S114 VanDerWaalsContact O-N 3.14Å; K110-S114 PolarHBondContact O-OG 3.16Å
111T82.6Confident81.3Confident31 Ų3163.2 Ų63.219%0.1936%0.364CS..Hα-helixtrans-69.8-50.1-178.5-57.30000111.7L95 V107 L108 E109 T113 S114 S115L95-T111 HydrophobicContact CD1-CG2 3.82Å; L95-T111 HydrophobicContact CD2-CG2 3.66Å; L95-T111 HydrophobicContact CG-CG2 4.4Å; V107-T111 VanDerWaalsContact O-CB 3.32Å; V107-T111 WeakPolarHBondContact O-CB 3.21Å; V107-T111 PolarHBondContact O-N 3.2Å; V107-T111 PolarHBondContact O-OG1 2.93Å; L108-T111 PolarHBondContact O-N 2.81Å; E109-T111 PolarHBondContact O-N 2.86Å; T111-T113 VanDerWaalsContact C-N 3.31Å; T111-T113 PolarHBondContact O-N 3.28Å; T111-S114 PolarHBondContact O-N 3.05Å; T111-S115 WeakPolarHBondContact O-CB 3.32Å; T111-S115 PolarHBondContact O-N 3.18Å
112L81.6Confident81.3Confident48 Ų4869 Ų6925%0.25139%0.385SS..Hα-helixtrans-72.2-21.6-176.4-65.6177.6000113.6L108 E109 M119 V124L108-L112 HydrophobicContact CD1-CD1 3.79Å; L108-L112 HydrophobicContact CD1-CG 4.1Å; L108-L112 HydrophobicContact CG-CD1 3.83Å; L108-L112 HydrophobicContact CG-CG 4.41Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.99Å; E109-L112 PolarHBondContact O-N 2.83Å; L112-M119 HydrophobicContact CB-SD 4.33Å; L112-M119 HydrophobicContact CD1-SD 4.15Å; L112-M119 HydrophobicContact CD2-SD 4.34Å; L112-M119 PolarHBondContact O-N 3.09Å; L112-V124 HydrophobicContact CB-CG2 3.77Å; L112-V124 HydrophobicContact CD1-CG1 4.49Å; L112-V124 HydrophobicContact CD1-CG2 4.26Å
113T83.2Confident81Confident49 Ų4969 Ų6930%0.30139%0.388SS..Hα-helixtrans-90.9-23.5175.157.90000113.4E109 K110 T111 K118 V124E109-T113 HydrophobicContact CG-CG2 4.31Å; E109-T113 WeakPolarHBondContact O-CB 3.2Å; E109-T113 VanDerWaalsContact O-CG2 3.24Å; E109-T113 WeakPolarHBondContact O-CG2 3.28Å; E109-T113 PolarHBondContact O-N 2.83Å; E109-T113 PolarHBondContact O-OG1 2.85Å; K110-T113 PolarHBondContact O-OG1 3.03Å; T111-T113 VanDerWaalsContact C-N 3.31Å; T111-T113 PolarHBondContact O-N 3.28Å; T113-K118 WeakPolarHBondContact O-CD 3.28Å; T113-K118 WeakPolarHBondContact O-CG 3.48Å; T113-V124 HydrophobicContact CG2-CG2 4.13Å
114S77.4Confident80.8Confident66 Ų6668.9 Ų68.946%0.46239%0.388SS..Hα-helixtrans-104.3-26.4-174.969.70000115K110 T111K110-S114 WeakPolarHBondContact O-CB 3.08Å; K110-S114 PolarHBondContact O-N 3.24Å; K110-S114 VanDerWaalsContact O-N 3.14Å; K110-S114 PolarHBondContact O-OG 3.16Å; T111-S114 PolarHBondContact O-N 3.05Å
115S70.3Confident80.6Confident70 Ų7070.6 Ų70.649%0.4940%0.395SS..SBendtrans-121.1140.7-168.8-600000112.4T111T111-S115 WeakPolarHBondContact O-CB 3.32Å; T111-S115 PolarHBondContact O-N 3.18Å
116G73.1Confident80.5Confident77 Ų7770.4 Ų70.479%0.79440%0.402SS*.SBendtrans67.6-136177.300000113.8K118G116-K118 PolarHBondContact O-N 3.34Å
117E77.6Confident80.2Confident80 Ų8068.5 Ų68.537%0.37439%0.387SS..SBendtrans-78.7102.1173.5-70178.4-174.400109.7S53 H54 A55 M119S53-E117 VanDerWaalsContact CB-OE1 3.26Å; S53-E117 WeakPolarHBondContact CB-OE1 3.49Å; S53-E117 WeakPolarHBondContact CB-OE2 3.25Å; S53-E117 PolarHBondContact OG-OE1 3.35Å; H54-E117 WeakPolarHBondContact CA-OE1 3.15Å; H54-E117 HydrophobicContact CB-CG 4.42Å; H54-E117 WeakPolarHBondContact CB-OE2 3.35Å; H54-E117 IonicContact CD2-OE2 3.57Å; H54-E117 PolarHBondContact CD2-OE2 3.11Å; H54-E117 IonicContact CG-OE2 3.99Å; H54-E117 PolarHBondContact N-OE1 2.98Å; H54-E117 PolarHBondContact N-OE2 3.28Å; A55-E117 VanDerWaalsContact CB-OE1 3.26Å; A55-E117 WeakPolarHBondContact CB-OE1 3.01Å; A55-E117 PolarHBondContact N-OE1 3.03Å; E117-M119 PolarHBondContact O-N 3.01Å
118K80.8Confident79.9Confident153 Ų15366.1 Ų66.167%0.66537%0.373SS*.PPolyproline II helixtrans-64.4123.6-173.9-59.7-176.7179-176.60110.9T113 G116T113-K118 WeakPolarHBondContact O-CD 3.28Å; T113-K118 WeakPolarHBondContact O-CG 3.48Å; G116-K118 PolarHBondContact O-N 3.34Å
119M80.1Confident79.5Confident59 Ų5970.1 Ų70.129%0.29140%0.401SS..PPolyproline II helixtrans-87.6150.8169-62.1-179.269.600109.9L112 E117 E123 V124 V127L112-M119 HydrophobicContact CB-SD 4.33Å; L112-M119 HydrophobicContact CD1-SD 4.15Å; L112-M119 HydrophobicContact CD2-SD 4.34Å; L112-M119 PolarHBondContact O-N 3.09Å; E117-M119 PolarHBondContact O-N 3.01Å; M119-E123 HydrophobicContact CB-CB 4.27Å; M119-E123 HydrophobicContact CE-CB 3.71Å; M119-V124 HydrophobicContact CB-CG2 3.74Å; M119-V127 HydrophobicContact CE-CG2 3.88Å
120T84.9Confident78.9Confident68 Ų6873.1 Ų73.142%0.41742%0.418SS..PPolyproline II helixtrans-71.3156.2169.6580000110.6E122 E123 V124T120-E122 WeakPolarHBondContact CB-OE2 3.21Å; T120-E122 PolarHBondContact O-N 3.1Å; T120-E123 PolarHBondContact N-OE2 3.21Å; T120-E123 PolarHBondContact O-N 3.3Å; T120-E123 VanDerWaalsContact O-N 3.11Å; T120-E123 WeakPolarHBondContact OG1-CB 3.37Å; T120-E123 WeakPolarHBondContact OG1-CG 3.45Å; T120-E123 PolarHBondContact OG1-N 2.99Å; T120-E123 PolarHBondContact OG1-OE2 3.2Å; T120-V124 WeakPolarHBondContact O-CG2 3.13Å; T120-V124 PolarHBondContact O-N 3.1Å
121A79.3Confident78.2Confident38 Ų3866.7 Ų66.731%0.31439%0.393SS..Hα-helixtrans-59.7-33.3178.600000111.3N125A121-N125 WeakPolarHBondContact O-CB 3.35Å; A121-N125 PolarHBondContact O-N 3.31Å; A121-N125 PolarHBondContact O-ND2 2.56Å
122E82.4Confident77.6Confident142 Ų14266.1 Ų66.166%0.66439%0.389SS*.Hα-helixtrans-65.4-43.6175.1-63.776.3-167.600112.2T120 N125 A126T120-E122 WeakPolarHBondContact CB-OE2 3.21Å; T120-E122 PolarHBondContact O-N 3.1Å; E122-N125 PolarHBondContact O-N 2.91Å; E122-A126 PolarHBondContact O-N 3.24Å
123E80.8Confident76.8Confident97 Ų9768.5 Ų68.545%0.45340%0.4SS..Hα-helixtrans-67.1-40.8177.7-72.8164.5148.400111.9M119 T120 A126 V127M119-E123 HydrophobicContact CB-CB 4.27Å; M119-E123 HydrophobicContact CE-CB 3.71Å; T120-E123 PolarHBondContact N-OE2 3.21Å; T120-E123 PolarHBondContact O-N 3.3Å; T120-E123 VanDerWaalsContact O-N 3.11Å; T120-E123 WeakPolarHBondContact OG1-CB 3.37Å; T120-E123 WeakPolarHBondContact OG1-CG 3.45Å; T120-E123 PolarHBondContact OG1-N 2.99Å; T120-E123 PolarHBondContact OG1-OE2 3.2Å; E123-A126 WeakPolarHBondContact O-CB 3.35Å; E123-A126 PolarHBondContact O-N 3.14Å; E123-V127 WeakPolarHBondContact O-CG2 3.43Å; E123-V127 PolarHBondContact O-N 2.63Å
124V80.8Confident76.1Confident0 Ų071.2 Ų71.20%041%0.413CS..Hα-helixtrans-62.9-46.6174.9173.10000110.7E109 L112 T113 M119 T120 A126 V127 C128E109-V124 HydrophobicContact CB-CG1 3.8Å; E109-V124 HydrophobicContact CG-CG1 4.05Å; L112-V124 HydrophobicContact CB-CG2 3.77Å; L112-V124 HydrophobicContact CD1-CG1 4.49Å; L112-V124 HydrophobicContact CD1-CG2 4.26Å; T113-V124 HydrophobicContact CG2-CG2 4.13Å; M119-V124 HydrophobicContact CB-CG2 3.74Å; T120-V124 WeakPolarHBondContact O-CG2 3.13Å; T120-V124 PolarHBondContact O-N 3.1Å; V124-A126 VanDerWaalsContact C-N 3.26Å; V124-A126 PolarHBondContact O-N 3.46Å; V124-V127 PolarHBondContact O-N 3.27Å; V124-V127 VanDerWaalsContact O-N 3.1Å; V124-C128 PolarHBondContact O-N 3.01Å; V124-C128 PolarHBondContact O-SG 2.82Å
125N80.3Confident75.9Confident93 Ų9376.7 Ų76.750%0.49743%0.429SS..Hα-helixtrans-60.5-37.7177.6-82.2-49.6000111.9A121 E122 C128 S129A121-N125 WeakPolarHBondContact O-CB 3.35Å; A121-N125 PolarHBondContact O-N 3.31Å; A121-N125 PolarHBondContact O-ND2 2.56Å; E122-N125 PolarHBondContact O-N 2.91Å; N125-C128 PolarHBondContact O-N 3.14Å; N125-S129 VanDerWaalsContact O-CB 3.32Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 3.32Å; N125-S129 PolarHBondContact O-OG 3.16Å
126A80.6Confident76.1Confident45 Ų4577.1 Ų77.137%0.37243%0.426SS..Hα-helixtrans-62.5-45.6173.200000111.7E122 E123 V124 S129 L130E122-A126 PolarHBondContact O-N 3.24Å; E123-A126 WeakPolarHBondContact O-CB 3.35Å; E123-A126 PolarHBondContact O-N 3.14Å; V124-A126 VanDerWaalsContact C-N 3.26Å; V124-A126 PolarHBondContact O-N 3.46Å; A126-S129 PolarHBondContact O-N 2.76Å; A126-S129 PolarHBondContact O-OG 2.86Å; A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.08Å; A126-L130 PolarHBondContact O-N 3.47Å; A126-L130 VanDerWaalsContact O-N 3.1Å
127V76.9Confident76.3Confident38 Ų3874.9 Ų74.923%0.2340%0.402CS..Hα-helixtrans-61.3-45.7176.9172.60000111.7M119 E123 V124 S129 L130 S131 F144M119-V127 HydrophobicContact CE-CG2 3.88Å; E123-V127 WeakPolarHBondContact O-CG2 3.43Å; E123-V127 PolarHBondContact O-N 2.63Å; V124-V127 PolarHBondContact O-N 3.27Å; V124-V127 VanDerWaalsContact O-N 3.1Å; V127-S129 PolarHBondContact O-N 3.11Å; V127-L130 PolarHBondContact O-N 2.83Å; V127-S131 WeakPolarHBondContact O-CB 3.23Å; V127-S131 PolarHBondContact O-N 3.11Å; V127-S131 PolarHBondContact O-OG 2.93Å; V127-F144 HydrophobicContact CG1-CE2 4.22Å; V127-F144 HydrophobicContact CG1-CZ 4.07Å
128C75.9Confident76.5Confident5 Ų574.9 Ų74.93%0.03440%0.401CS..Hα-helixtrans-60.1-46.3176.2-65.40000111V124 N125 L130 S131 D132V124-C128 PolarHBondContact O-N 3.01Å; V124-C128 PolarHBondContact O-SG 2.82Å; N125-C128 PolarHBondContact O-N 3.14Å; C128-L130 VanDerWaalsContact C-N 3.27Å; C128-L130 PolarHBondContact O-N 3.08Å; C128-S131 PolarHBondContact O-N 3.26Å; C128-S131 VanDerWaalsContact O-N 3.13Å; C128-D132 WeakPolarHBondContact O-CB 3.18Å; C128-D132 PolarHBondContact O-N 3.48Å
129S75.4Confident76.6Confident88 Ų8867.7 Ų67.762%0.61537%0.37SS*.Hα-helixtrans-64.3-28.4-178.973.60000114.5N125 A126 V127 S131N125-S129 VanDerWaalsContact O-CB 3.32Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 3.32Å; N125-S129 PolarHBondContact O-OG 3.16Å; A126-S129 PolarHBondContact O-N 2.76Å; A126-S129 PolarHBondContact O-OG 2.86Å; V127-S129 PolarHBondContact O-N 3.11Å; S129-S131 VanDerWaalsContact C-N 3.34Å
130L69.8Low76.8Confident135 Ų13567.1 Ų67.171%0.70737%0.368SS*.Hα-helixtrans-81.6-17178.6-71.8168.2000112.8A126 V127 C128A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.08Å; A126-L130 PolarHBondContact O-N 3.47Å; A126-L130 VanDerWaalsContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 2.83Å; C128-L130 VanDerWaalsContact C-N 3.27Å; C128-L130 PolarHBondContact O-N 3.08Å
131S69.1Low76.7Confident18 Ų1864.9 Ų64.913%0.12635%0.352CS..Hα-helixtrans-116.2-29.2-167.5-46.90000113.2V127 C128 S129 I133 F144V127-S131 WeakPolarHBondContact O-CB 3.23Å; V127-S131 PolarHBondContact O-N 3.11Å; V127-S131 PolarHBondContact O-OG 2.93Å; C128-S131 PolarHBondContact O-N 3.26Å; C128-S131 VanDerWaalsContact O-N 3.13Å; S129-S131 VanDerWaalsContact C-N 3.34Å; S131-I133 PolarHBondContact O-N 3.27Å; S131-F144 WeakPolarHBondContact OG-CD2 3.49Å; S131-F144 WeakPolarHBondContact OG-CE2 3.47Å
132D70.3Confident76.9Confident20 Ų2064.2 Ų64.211%0.10735%0.347CS..  trans-82.684.9173.6-177.64.7000110.6H105 C128 N134 K135 D136 G137H105-D132 IonicContact CE1-OD2 4Å; H105-D132 PolarHBondContact CE1-OD2 2.91Å; H105-D132 IonicContact NE2-OD2 3.09Å; H105-D132 PolarHBondContact NE2-OD2 2.87Å; C128-D132 WeakPolarHBondContact O-CB 3.18Å; C128-D132 PolarHBondContact O-N 3.48Å; D132-N134 PolarHBondContact OD1-OD1 3.46Å; D132-K135 WeakPolarHBondContact OD1-CA 3.42Å; D132-K135 PolarHBondContact OD1-N 3.49Å; D132-K135 WeakPolarHBondContact OD2-CA 3.34Å; D132-D136 PolarHBondContact OD1-N 3.43Å; D132-G137 PolarHBondContact OD2-N 2.83Å; D132-G137 VanDerWaalsContact OD2-N 3.17Å
133I63.6Low76.9Confident97 Ų9760.4 Ų60.450%0.49733%0.329SS..SBendtrans-76.5-33.9-174.5-55.2142.4000111.5S131 E143S131-I133 PolarHBondContact O-N 3.27Å; I133-E143 WeakPolarHBondContact CD1-OE1 3.49Å
134N67.8Low77Confident107 Ų10757.6 Ų57.657%0.57232%0.315SS*.SBendtrans-93.5-5.8-176.667.2-8.1000112.9D132 D136D132-N134 PolarHBondContact OD1-OD1 3.46Å; N134-D136 VanDerWaalsContact C-N 3.26Å; N134-D136 VanDerWaalsContact ND2-CG 3.3Å; N134-D136 PolarHBondContact ND2-OD2 3.16Å; N134-D136 PolarHBondContact O-N 3.36Å; N134-D136 PolarHBondContact OD1-N 3.45Å; N134-D136 PolarHBondContact OD1-OD1 2.72Å; N134-D136 PolarHBondContact OD1-OD2 3.1Å
135K73.6Confident77.1Confident181 Ų18157.6 Ų57.679%0.78732%0.315SS*.  trans59.433177.7-56.7-173.3179.6-1790113.2D132 G137D132-K135 WeakPolarHBondContact OD1-CA 3.42Å; D132-K135 PolarHBondContact OD1-N 3.49Å; D132-K135 WeakPolarHBondContact OD2-CA 3.34Å; K135-G137 VanDerWaalsContact C-N 3.27Å
136D75.6Confident77.2Confident79 Ų7958.9 Ų58.942%0.42231%0.313SS..SBendtrans-86.90.5178.872.16.8000112.8D132 N134 K138D132-D136 PolarHBondContact OD1-N 3.43Å; N134-D136 VanDerWaalsContact C-N 3.26Å; N134-D136 VanDerWaalsContact ND2-CG 3.3Å; N134-D136 PolarHBondContact ND2-OD2 3.16Å; N134-D136 PolarHBondContact O-N 3.36Å; N134-D136 PolarHBondContact OD1-N 3.45Å; N134-D136 PolarHBondContact OD1-OD1 2.72Å; N134-D136 PolarHBondContact OD1-OD2 3.1Å; D136-K138 PolarHBondContact O-N 3.18Å; D136-K138 WeakPolarHBondContact OD1-CA 3.33Å; D136-K138 VanDerWaalsContact OD1-CB 3.27Å; D136-K138 WeakPolarHBondContact OD1-CB 3.45Å; D136-K138 PolarHBondContact OD1-N 2.91Å
137G76.8Confident77.1Confident29 Ų2962 Ų6230%0.29932%0.315SS..SBendtrans75.613.3-179.700000113.6H105 D132 K135H105-G137 PolarHBondContact CD2-O 3Å; H105-G137 PolarHBondContact N-O 2.88Å; H105-G137 VanDerWaalsContact N-O 3.13Å; D132-G137 PolarHBondContact OD2-N 2.83Å; D132-G137 VanDerWaalsContact OD2-N 3.17Å; K135-G137 VanDerWaalsContact C-N 3.27Å
138K80.9Confident77.3Confident80 Ų8062.9 Ų62.935%0.34832%0.318SS..EExtended strand (participates in β ladder)trans-124145.9177.2-56.7-175.5175.8-168.10110.5D100 Y102 T104 D136D100-K138 IonicContact OD2-NZ 3.98Å; Y102-K138 HydrophobicContact CD1-CB 4.25Å; Y102-K138 HydrophobicContact CG-CD 4.4Å; T104-K138 HydrophobicContact CG2-CG 4.39Å; D136-K138 PolarHBondContact O-N 3.18Å; D136-K138 WeakPolarHBondContact OD1-CA 3.33Å; D136-K138 VanDerWaalsContact OD1-CB 3.27Å; D136-K138 WeakPolarHBondContact OD1-CB 3.45Å; D136-K138 PolarHBondContact OD1-N 2.91Å
139L83.1Confident77.7Confident2 Ų263.9 Ų63.91%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-101117.2174.9-178.972.4000109.7Y102 I103 L108 Y141 F144Y102-L139 WeakPolarHBondContact CA-O 3.33Å; I103-L139 PolarHBondContact N-O 3.48Å; I103-L139 PolarHBondContact O-N 2.77Å; L108-L139 HydrophobicContact CD2-CD2 3.65Å; L139-Y141 PolarHBondContact O-N 2.98Å; L139-Y141 VanDerWaalsContact O-N 3.1Å; L139-F144 HydrophobicContact CD1-CB 4.04Å; L139-F144 HydrophobicContact CD1-CD2 4.16Å; L139-F144 HydrophobicContact CD1-CG 4.18Å; L139-F144 HydrophobicContact CD2-CB 4.39Å; L139-F144 HydrophobicContact CD2-CD1 4.35Å; L139-F144 HydrophobicContact CD2-CG 4.23Å; L139-F144 HydrophobicContact CG-CB 4.34Å
140D85.6Confident78.1Confident48 Ų4861.9 Ų61.926%0.25731%0.31SS..EExtended strand (participates in β ladder)trans-69.3100.4160.1-179.2-24.9000108Y102 A142 E143 F144Y102-D140 HydrophobicContact CD1-CB 4.23Å; Y102-D140 HydrophobicContact CE1-CB 4.02Å; D140-A142 VanDerWaalsContact C-N 3.25Å; D140-A142 PolarHBondContact O-N 3.01Å; D140-A142 WeakPolarHBondContact OD1-CA 3.4Å; D140-A142 WeakPolarHBondContact OD1-CB 3.48Å; D140-A142 PolarHBondContact OD1-N 2.85Å; D140-E143 HydrophobicContact CB-CB 4.11Å; D140-E143 PolarHBondContact O-N 3.2Å; D140-E143 PolarHBondContact OD1-N 3.46Å; D140-F144 WeakPolarHBondContact O-CB 3.5Å; D140-F144 PolarHBondContact O-N 2.93Å
141Y83Confident78.7Confident21 Ų2159 Ų598%0.08230%0.298CS..Hα-helixtrans-71.9-22.1-175.764-100.2000112.3L89 F92 R93 D96 G101 I103 L139 C145L89-Y141 HydrophobicContact CD2-CD2 3.92Å; L89-Y141 HydrophobicContact CD2-CE2 4.04Å; F92-Y141 HydrophobicContact CB-CD1 4.39Å; F92-Y141 HydrophobicContact CB-CD2 3.62Å; F92-Y141 HydrophobicContact CB-CE2 4.32Å; F92-Y141 HydrophobicContact CB-CG 3.68Å; F92-Y141 HydrophobicContact CG-CD2 4.45Å; F92-Y141 HydrophobicContact CG-CG 4.29Å; R93-Y141 HydrophobicContact CG-CE2 4.08Å; D96-Y141 HydrophobicContact CB-CE1 3.99Å; G101-Y141 VanDerWaalsContact CA-CE1 3.47Å; G101-Y141 WeakPolarHBondContact O-CD1 3.43Å; G101-Y141 WeakPolarHBondContact O-CE1 3.31Å; I103-Y141 HydrophobicContact CD1-CD1 3.94Å; I103-Y141 HydrophobicContact CD1-CG 4.3Å; I103-Y141 HydrophobicContact CG1-CD1 3.96Å; L139-Y141 PolarHBondContact O-N 2.98Å; L139-Y141 VanDerWaalsContact O-N 3.1Å; Y141-C145 WeakPolarHBondContact O-CB 3.37Å; Y141-C145 PolarHBondContact O-N 3.01Å; Y141-C145 PolarHBondContact O-SG 2.94Å
142A83Confident79.3Confident24 Ų2459.4 Ų59.420%0.19830%0.303CS..Hα-helixtrans-74.2-42.6177.200000111L89 D140 R146L89-A142 HydrophobicContact CD2-CB 3.94Å; D140-A142 VanDerWaalsContact C-N 3.25Å; D140-A142 PolarHBondContact O-N 3.01Å; D140-A142 WeakPolarHBondContact OD1-CA 3.4Å; D140-A142 WeakPolarHBondContact OD1-CB 3.48Å; D140-A142 PolarHBondContact OD1-N 2.85Å; A142-R146 WeakPolarHBondContact O-CG 3.23Å; A142-R146 PolarHBondContact O-N 3.2Å; A142-R146 VanDerWaalsContact O-N 3.16Å; A142-R146 PolarHBondContact O-NH1 2.87Å
143E81.8Confident79.9Confident62 Ų6263.5 Ų63.529%0.2932%0.321SS..Hα-helixtrans-63.7-42.8171.1-167.9-177.517400111.4I133 D140 C145 R146 R147I133-E143 WeakPolarHBondContact CD1-OE1 3.49Å; D140-E143 HydrophobicContact CB-CB 4.11Å; D140-E143 PolarHBondContact O-N 3.2Å; D140-E143 PolarHBondContact OD1-N 3.46Å; E143-C145 PolarHBondContact O-N 2.72Å; E143-R146 PolarHBondContact O-N 2.77Å; E143-R147 WeakPolarHBondContact O-CG 3.08Å; E143-R147 PolarHBondContact O-N 3.14Å; E143-R147 IonicContact OE1-CZ 2.85Å; E143-R147 IonicContact OE1-NE 2.64Å; E143-R147 PolarHBondContact OE1-NE 3.42Å; E143-R147 IonicContact OE1-NH2 3.04Å; E143-R147 PolarHBondContact OE1-NH2 3.36Å
144F82.4Confident80.9Confident37 Ų3764.4 Ų64.416%0.16232%0.323CS..Hα-helixtrans-59.7-45.9177-178.4-105.3000112.6F92 V127 S131 L139 D140 R146 R147 L148F92-F144 AromaticContact CE2-CD1 4Å; F92-F144 HydrophobicContact CE2-CD1 4Å; F92-F144 HydrophobicContact CE2-CE1 4.18Å; F92-F144 AromaticContact CZ-CD1 3.83Å; F92-F144 HydrophobicContact CZ-CD1 3.83Å; F92-F144 AromaticContact CZ-CE1 3.79Å; F92-F144 HydrophobicContact CZ-CE1 3.79Å; V127-F144 HydrophobicContact CG1-CE2 4.22Å; V127-F144 HydrophobicContact CG1-CZ 4.07Å; S131-F144 WeakPolarHBondContact OG-CD2 3.49Å; S131-F144 WeakPolarHBondContact OG-CE2 3.47Å; L139-F144 HydrophobicContact CD1-CB 4.04Å; L139-F144 HydrophobicContact CD1-CD2 4.16Å; L139-F144 HydrophobicContact CD1-CG 4.18Å; L139-F144 HydrophobicContact CD2-CB 4.39Å; L139-F144 HydrophobicContact CD2-CD1 4.35Å; L139-F144 HydrophobicContact CD2-CG 4.23Å; L139-F144 HydrophobicContact CG-CB 4.34Å; D140-F144 WeakPolarHBondContact O-CB 3.5Å; D140-F144 PolarHBondContact O-N 2.93Å; F144-R146 PolarHBondContact O-N 3.08Å; F144-R147 PolarHBondContact O-N 3.1Å; F144-L148 WeakPolarHBondContact O-CB 3.31Å; F144-L148 PolarHBondContact O-N 2.56Å
145C83.4Confident81.5Confident0 Ų061.1 Ų61.10%031%0.308CS..Hα-helixtrans-60.5-46.1177.1-69.90000111.7E85 L88 L89 F92 Y141 E143 R147 L148 V149E85-C145 HydrophobicContact CG-CB 4.14Å; L88-C145 HydrophobicContact CB-CB 4.23Å; L88-C145 VanDerWaalsContact CB-SG 3.52Å; L89-C145 HydrophobicContact CD2-CB 4.21Å; L89-C145 HydrophobicContact CG-CB 4.34Å; F92-C145 VanDerWaalsContact CD2-SG 3.54Å; Y141-C145 WeakPolarHBondContact O-CB 3.37Å; Y141-C145 PolarHBondContact O-N 3.01Å; Y141-C145 PolarHBondContact O-SG 2.94Å; E143-C145 PolarHBondContact O-N 2.72Å; C145-R147 VanDerWaalsContact C-N 3.35Å; C145-R147 PolarHBondContact O-N 3.49Å; C145-L148 PolarHBondContact O-N 3.19Å; C145-V149 WeakPolarHBondContact O-CG2 3.43Å; C145-V149 PolarHBondContact O-N 3.29Å
146R81.9Confident82Confident120 Ų12053.4 Ų53.445%0.45328%0.275SS..Hα-helixtrans-59.6-44.3176.4-75.7-170.5-65.5-850.8112.1E85 A142 E143 F144 S150E85-R146 WeakPolarHBondContact OE1-CG 3.31Å; A142-R146 WeakPolarHBondContact O-CG 3.23Å; A142-R146 PolarHBondContact O-N 3.2Å; A142-R146 VanDerWaalsContact O-N 3.16Å; A142-R146 PolarHBondContact O-NH1 2.87Å; E143-R146 PolarHBondContact O-N 2.77Å; F144-R146 PolarHBondContact O-N 3.08Å; R146-S150 WeakPolarHBondContact O-CB 3.22Å; R146-S150 PolarHBondContact O-N 2.81Å
147R79.7Confident82.4Confident110 Ų11053.1 Ų53.142%0.41528%0.276SS..Hα-helixtrans-63.8-40.2177.7-74.3178.4177.6-142.4-4.9112.1E143 F144 C145 T151E143-R147 WeakPolarHBondContact O-CG 3.08Å; E143-R147 PolarHBondContact O-N 3.14Å; E143-R147 IonicContact OE1-CZ 2.85Å; E143-R147 IonicContact OE1-NE 2.64Å; E143-R147 PolarHBondContact OE1-NE 3.42Å; E143-R147 IonicContact OE1-NH2 3.04Å; E143-R147 PolarHBondContact OE1-NH2 3.36Å; F144-R147 PolarHBondContact O-N 3.1Å; C145-R147 VanDerWaalsContact C-N 3.35Å; C145-R147 PolarHBondContact O-N 3.49Å; R147-T151 WeakPolarHBondContact O-CB 3.38Å; R147-T151 PolarHBondContact O-N 2.91Å; R147-T151 PolarHBondContact O-OG1 3.42Å
148L81.1Confident82.8Confident58 Ų5854.3 Ų54.330%0.30428%0.283SS..Hα-helixtrans-65.5-47.3179.5-171.867.2000111.7L88 F144 C145 T151 A152L88-L148 HydrophobicContact CD1-CD2 4.02Å; L88-L148 HydrophobicContact CD2-CD2 4.35Å; F144-L148 WeakPolarHBondContact O-CB 3.31Å; F144-L148 PolarHBondContact O-N 2.56Å; C145-L148 PolarHBondContact O-N 3.19Å; L148-T151 PolarHBondContact O-N 3.18Å; L148-A152 PolarHBondContact O-N 3.18Å; L148-A152 VanDerWaalsContact O-N 3.16Å
149V83.2Confident82.8Confident26 Ų2650.7 Ų50.716%0.15827%0.268CS..Hα-helixtrans-63.7-47176.4175.20000110.4E85 L88 C145 T151 A152 E153E85-V149 HydrophobicContact CB-CG2 4.2Å; L88-V149 HydrophobicContact CD1-CG2 4Å; C145-V149 WeakPolarHBondContact O-CG2 3.43Å; C145-V149 PolarHBondContact O-N 3.29Å; V149-T151 VanDerWaalsContact C-N 3.3Å; V149-T151 PolarHBondContact O-N 3.15Å; V149-A152 WeakPolarHBondContact O-CB 3.35Å; V149-A152 PolarHBondContact O-N 3.24Å; V149-A152 VanDerWaalsContact O-N 3.13Å; V149-E153 HydrophobicContact CG1-CG 4.45Å; V149-E153 WeakPolarHBondContact O-CG 3.43Å; V149-E153 PolarHBondContact O-N 3.4Å
150S84.9Confident82.7Confident46 Ų4652.8 Ų52.832%0.32228%0.279SS..Hα-helixtrans-60.2-38.3177.8-173.60000112.5R146 A152 E153 Q154R146-S150 WeakPolarHBondContact O-CB 3.22Å; R146-S150 PolarHBondContact O-N 2.81Å; S150-A152 PolarHBondContact O-N 3.11Å; S150-E153 PolarHBondContact O-N 3.28Å; S150-Q154 WeakPolarHBondContact O-CB 3.46Å; S150-Q154 WeakPolarHBondContact O-CG 3.41Å; S150-Q154 PolarHBondContact O-N 3.27Å; S150-Q154 PolarHBondContact OG-NE2 3.3Å; S150-Q154 VanDerWaalsContact OG-NE2 3.13Å
151T82.1Confident82.5Confident73 Ų7354.8 Ų54.845%0.44829%0.29SS..Hα-helixtrans-66-38.8177.1-570000111.8R147 L148 V149 Q154 C155R147-T151 WeakPolarHBondContact O-CB 3.38Å; R147-T151 PolarHBondContact O-N 2.91Å; R147-T151 PolarHBondContact O-OG1 3.42Å; L148-T151 PolarHBondContact O-N 3.18Å; V149-T151 VanDerWaalsContact C-N 3.3Å; V149-T151 PolarHBondContact O-N 3.15Å; T151-Q154 PolarHBondContact O-N 2.88Å; T151-C155 PolarHBondContact O-N 2.84Å; T151-C155 PolarHBondContact O-SG 3.33Å; T151-C155 VanDerWaalsContact O-SG 3.33Å
152A81.8Confident82.2Confident27 Ų2758.9 Ų58.922%0.22331%0.308CS..Hα-helixtrans-66.4-40.7175.200000111.7G49 L148 V149 S150 C155 Q156G49-A152 WeakPolarHBondContact CA-O 2.94Å; L148-A152 PolarHBondContact O-N 3.18Å; L148-A152 VanDerWaalsContact O-N 3.16Å; V149-A152 WeakPolarHBondContact O-CB 3.35Å; V149-A152 PolarHBondContact O-N 3.24Å; V149-A152 VanDerWaalsContact O-N 3.13Å; S150-A152 PolarHBondContact O-N 3.11Å; A152-C155 PolarHBondContact O-N 2.83Å; A152-Q156 PolarHBondContact O-N 2.89Å; A152-Q156 VanDerWaalsContact O-N 3.15Å
153E83.7Confident81.7Confident106 Ų10658.8 Ų58.850%0.49530%0.304SS..Hα-helixtrans-65.7-39.3174.4-69.8175.1165.100112.4V149 S150 Q156 T157V149-E153 HydrophobicContact CG1-CG 4.45Å; V149-E153 WeakPolarHBondContact O-CG 3.43Å; V149-E153 PolarHBondContact O-N 3.4Å; S150-E153 PolarHBondContact O-N 3.28Å; E153-Q156 PolarHBondContact O-N 2.79Å; E153-T157 WeakPolarHBondContact O-CB 3.43Å; E153-T157 PolarHBondContact O-N 3.47Å; E153-T157 PolarHBondContact O-OG1 3.3Å
154Q84.1Confident81.2Confident117 Ų11760.6 Ų60.655%0.54731%0.313SS..Hα-helixtrans-63.8-41.7175.3-75.3169.827.300111.6S150 T151 Q156 T157 A158S150-Q154 WeakPolarHBondContact O-CB 3.46Å; S150-Q154 WeakPolarHBondContact O-CG 3.41Å; S150-Q154 PolarHBondContact O-N 3.27Å; S150-Q154 PolarHBondContact OG-NE2 3.3Å; S150-Q154 VanDerWaalsContact OG-NE2 3.13Å; T151-Q154 PolarHBondContact O-N 2.88Å; Q154-Q156 VanDerWaalsContact C-N 3.33Å; Q154-Q156 PolarHBondContact O-N 2.82Å; Q154-T157 PolarHBondContact O-N 3.03Å; Q154-A158 VanDerWaalsContact O-CB 3.22Å; Q154-A158 WeakPolarHBondContact O-CB 3.44Å; Q154-A158 PolarHBondContact O-N 3.23Å
155C79.9Confident80.5Confident37 Ų3761.4 Ų61.425%0.2533%0.326CS..Hα-helixtrans-58.3-46.3173.1-72.80000111.4T151 A152 A159T151-C155 PolarHBondContact O-N 2.84Å; T151-C155 PolarHBondContact O-SG 3.33Å; T151-C155 VanDerWaalsContact O-SG 3.33Å; A152-C155 PolarHBondContact O-N 2.83Å; C155-A159 WeakPolarHBondContact O-CB 3.47Å; C155-A159 PolarHBondContact O-N 2.9Å
156Q83.8Confident79.1Confident20 Ų2065.5 Ų65.59%0.09335%0.348CS..Hα-helixtrans-63.1-45.2178.4-178.4172.529.100111.9Q47 A152 E153 Q154 A159 L160Q47-Q156 WeakPolarHBondContact O-CA 3.44Å; A152-Q156 PolarHBondContact O-N 2.89Å; A152-Q156 VanDerWaalsContact O-N 3.15Å; E153-Q156 PolarHBondContact O-N 2.79Å; Q154-Q156 VanDerWaalsContact C-N 3.33Å; Q154-Q156 PolarHBondContact O-N 2.82Å; Q156-A159 PolarHBondContact O-N 2.86Å; Q156-L160 HydrophobicContact CG-CD1 4.31Å; Q156-L160 WeakPolarHBondContact O-CG 3.45Å; Q156-L160 PolarHBondContact O-N 3.5Å; Q156-L160 VanDerWaalsContact O-N 3.11Å
157T84.9Confident77.5Confident72 Ų7262 Ų6244%0.44234%0.344SS..Hα-helixtrans-65.4-46.7-179.6-54.50000110.9E153 Q154 A159 L160 D161E153-T157 WeakPolarHBondContact O-CB 3.43Å; E153-T157 PolarHBondContact O-N 3.47Å; E153-T157 PolarHBondContact O-OG1 3.3Å; Q154-T157 PolarHBondContact O-N 3.03Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.39Å; T157-L160 WeakPolarHBondContact O-CB 3.45Å; T157-L160 PolarHBondContact O-N 3.4Å; T157-L160 VanDerWaalsContact O-N 3.09Å; T157-D161 PolarHBondContact O-N 3.37Å
158A83.6Confident75.8Confident55 Ų5561.8 Ų61.846%0.45535%0.347SS..Hα-helixtrans-61.6-36.1177.400000112.5Q154 K162Q154-A158 VanDerWaalsContact O-CB 3.22Å; Q154-A158 WeakPolarHBondContact O-CB 3.44Å; Q154-A158 PolarHBondContact O-N 3.23Å; A158-K162 VanDerWaalsContact O-CB 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.38Å; A158-K162 PolarHBondContact O-N 3.22Å; A158-K162 VanDerWaalsContact O-N 3.07Å
159A81.8Confident73.9Confident4 Ų463.9 Ų63.93%0.03336%0.357CS..Hα-helixtrans-65.3-40.8174.600000112A22 A26 C155 Q156 T157 L163A22-A159 HydrophobicContact CB-CB 4.24Å; A26-A159 HydrophobicContact CB-CB 3.9Å; C155-A159 WeakPolarHBondContact O-CB 3.47Å; C155-A159 PolarHBondContact O-N 2.9Å; Q156-A159 PolarHBondContact O-N 2.86Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.39Å; A159-L163 PolarHBondContact O-N 2.72Å; A159-L163 VanDerWaalsContact O-N 3.15Å
160L80.6Confident71.7Confident45 Ų4568.6 Ų68.624%0.23638%0.376CS..Hα-helixtrans-67.2-47.4176.5-76.1164.3000111.9M18 Q19 A22 Q156 T157 K162 L163 E164M18-L160 HydrophobicContact CG-CD2 4.21Å; Q19-L160 HydrophobicContact CG-CD1 4.36Å; Q19-L160 HydrophobicContact CG-CD2 4.38Å; A22-L160 HydrophobicContact CB-CD2 3.71Å; A22-L160 HydrophobicContact CB-CG 3.99Å; Q156-L160 HydrophobicContact CG-CD1 4.31Å; Q156-L160 WeakPolarHBondContact O-CG 3.45Å; Q156-L160 PolarHBondContact O-N 3.5Å; Q156-L160 VanDerWaalsContact O-N 3.11Å; T157-L160 WeakPolarHBondContact O-CB 3.45Å; T157-L160 PolarHBondContact O-N 3.4Å; T157-L160 VanDerWaalsContact O-N 3.09Å; L160-K162 VanDerWaalsContact C-N 3.28Å; L160-K162 PolarHBondContact O-N 3.07Å; L160-L163 WeakPolarHBondContact O-CB 3.34Å; L160-L163 PolarHBondContact O-N 3.28Å; L160-L163 VanDerWaalsContact O-N 3.07Å; L160-E164 PolarHBondContact O-N 3.1Å
161D82.2Confident69.2Low91 Ų9176.4 Ų76.449%0.48740%0.398SS..Hα-helixtrans-59.3-41.7178.9-70.7-16.2000111.4T157 L163 E164 A165T157-D161 PolarHBondContact O-N 3.37Å; D161-L163 PolarHBondContact O-N 3.11Å; D161-E164 PolarHBondContact O-N 2.83Å; D161-A165 WeakPolarHBondContact O-CB 3.35Å; D161-A165 PolarHBondContact O-N 3.3Å
162K76.4Confident66.9Low107 Ų10779.8 Ų79.847%0.46541%0.409SS..Hα-helixtrans-63-41.4175.8-173.4-179.1178.7-173.40111.8A158 L160 E164 A165 D166A158-K162 VanDerWaalsContact O-CB 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.38Å; A158-K162 PolarHBondContact O-N 3.22Å; A158-K162 VanDerWaalsContact O-N 3.07Å; L160-K162 VanDerWaalsContact C-N 3.28Å; L160-K162 PolarHBondContact O-N 3.07Å; K162-E164 VanDerWaalsContact C-N 3.34Å; K162-A165 PolarHBondContact O-N 2.98Å; K162-D166 WeakPolarHBondContact O-CB 3.3Å; K162-D166 PolarHBondContact O-N 3.46Å
163L71.9Confident64.4Low21 Ų2184.3 Ų84.311%0.1143%0.43CS..Hα-helixtrans-63.5-41.3176.3-177.562.5000111.5M18 R21 A22 L25 A159 L160 D161 A167M18-L163 HydrophobicContact CG-CD2 4.4Å; R21-L163 HydrophobicContact CG-CD2 4.46Å; A22-L163 HydrophobicContact CB-CB 4.25Å; A22-L163 HydrophobicContact CB-CD2 3.86Å; L25-L163 HydrophobicContact CD1-CD1 3.6Å; A159-L163 PolarHBondContact O-N 2.72Å; A159-L163 VanDerWaalsContact O-N 3.15Å; L160-L163 WeakPolarHBondContact O-CB 3.34Å; L160-L163 PolarHBondContact O-N 3.28Å; L160-L163 VanDerWaalsContact O-N 3.07Å; D161-L163 PolarHBondContact O-N 3.11Å; L163-A167 WeakPolarHBondContact O-CB 3.43Å; L163-A167 PolarHBondContact O-N 3.11Å
164E71.7Confident61.8Low100 Ų10087.6 Ų87.647%0.46744%0.442SS..Hα-helixtrans-68.9-41.5178.5-160.9-169.5162.500111.9L160 D161 K162 A167 K168L160-E164 PolarHBondContact O-N 3.1Å; D161-E164 PolarHBondContact O-N 2.83Å; K162-E164 VanDerWaalsContact C-N 3.34Å; E164-A167 PolarHBondContact O-N 3.15Å; E164-K168 VanDerWaalsContact CD-NZ 3.35Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 2.94Å; E164-K168 WeakPolarHBondContact OE1-CE 3.44Å; E164-K168 IonicContact OE1-NZ 2.7Å; E164-K168 PolarHBondContact OE1-NZ 2.97Å; E164-K168 IonicContact OE2-NZ 2.71Å
165A66.9Low59.1Low54 Ų5485 Ų8545%0.44645%0.448SS..Hα-helixtrans-60.8-44.9175.100000111.8D161 K162 A167 K168 L169D161-A165 WeakPolarHBondContact O-CB 3.35Å; D161-A165 PolarHBondContact O-N 3.3Å; K162-A165 PolarHBondContact O-N 2.98Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.84Å; A165-K168 PolarHBondContact O-N 2.88Å; A165-L169 WeakPolarHBondContact O-CB 3.13Å; A165-L169 PolarHBondContact O-N 3.29Å
166D54.8Low56.6Low87 Ų8788.3 Ų88.347%0.46547%0.471SS..Hα-helixtrans-63.6-36.1175.8-81.4-7000112K162 K170K162-D166 WeakPolarHBondContact O-CB 3.3Å; K162-D166 PolarHBondContact O-N 3.46Å; D166-K170 WeakPolarHBondContact O-CG 3.45Å; D166-K170 PolarHBondContact O-N 3Å; D166-K170 VanDerWaalsContact O-N 3.1Å
167A48.3Very low53.9Low45 Ų4595.4 Ų95.437%0.37250%0.504SS..Hα-helixtrans-68.3-41.317500000112.3L163 E164 A165 K170 R171L163-A167 WeakPolarHBondContact O-CB 3.43Å; L163-A167 PolarHBondContact O-N 3.11Å; E164-A167 PolarHBondContact O-N 3.15Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.84Å; A167-K170 PolarHBondContact O-N 3.39Å; A167-R171 WeakPolarHBondContact O-CG 3.4Å; A167-R171 PolarHBondContact O-N 3.08Å; A167-R171 VanDerWaalsContact O-N 3.08Å
168K44.3Very low51.2Low107 Ų107100.4 Ų100.447%0.46553%0.527SS..Hα-helixtrans-64.1-42.8174.8-74.6173.3-177.6164.40111.6E164 A165 K170 R171 Q172E164-K168 VanDerWaalsContact CD-NZ 3.35Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 2.94Å; E164-K168 WeakPolarHBondContact OE1-CE 3.44Å; E164-K168 IonicContact OE1-NZ 2.7Å; E164-K168 PolarHBondContact OE1-NZ 2.97Å; E164-K168 IonicContact OE2-NZ 2.71Å; A165-K168 PolarHBondContact O-N 2.88Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.2Å; K168-R171 PolarHBondContact O-N 3.43Å; K168-Q172 WeakPolarHBondContact O-CG 3.47Å; K168-Q172 PolarHBondContact O-N 3.32Å
169L41.5Very low48.4Very low101 Ų101107.5 Ų107.553%0.52954%0.544SS..Hα-helixtrans-63.3-39.4177.4-152.382.7000112A165 Q172 N173A165-L169 WeakPolarHBondContact O-CB 3.13Å; A165-L169 PolarHBondContact O-N 3.29Å; L169-Q172 PolarHBondContact O-N 3.04Å; L169-N173 WeakPolarHBondContact O-CB 3.43Å; L169-N173 PolarHBondContact O-N 3.04Å; L169-N173 VanDerWaalsContact O-N 3.09Å; L169-N173 PolarHBondContact O-ND2 3.29Å
170K37Very low45.6Very low126 Ų126112.3 Ų112.355%0.54858%0.577SS.*Hα-helixtrans-65.7-36.2173.8-76176.2-178.9176.40112.7D166 A167 K168 F174D166-K170 WeakPolarHBondContact O-CG 3.45Å; D166-K170 PolarHBondContact O-N 3Å; D166-K170 VanDerWaalsContact O-N 3.1Å; A167-K170 PolarHBondContact O-N 3.39Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.2Å; K170-F174 WeakPolarHBondContact O-CD2 3.43Å
171R32.4Very low43Very low209 Ų209115.5 Ų115.579%0.78960%0.6SS**Hα-helixtrans-69.1-39.6175.7-75178.1176.2-178.8-0.6112.3A167 K168A167-R171 WeakPolarHBondContact O-CG 3.4Å; A167-R171 PolarHBondContact O-N 3.08Å; A167-R171 VanDerWaalsContact O-N 3.08Å; K168-R171 PolarHBondContact O-N 3.43Å
172Q32.9Very low40.4Very low145 Ų145117 Ų11768%0.67862%0.616SS**Hα-helixtrans-70.8-35.9178.5-70.7-179.1-2.200112.9K168 L169 F174 G175K168-Q172 WeakPolarHBondContact O-CG 3.47Å; K168-Q172 PolarHBondContact O-N 3.32Å; L169-Q172 PolarHBondContact O-N 3.04Å; Q172-F174 VanDerWaalsContact C-N 3.26Å; Q172-F174 PolarHBondContact O-N 3.38Å; Q172-G175 PolarHBondContact O-N 3.19Å
173N30.1Very low38Very low122 Ų122121.6 Ų121.665%0.65264%0.635SS**Hα-helixtrans-72.3-13179-74.8-19.9000114.7L169L169-N173 WeakPolarHBondContact O-CB 3.43Å; L169-N173 PolarHBondContact O-N 3.04Å; L169-N173 VanDerWaalsContact O-N 3.09Å; L169-N173 PolarHBondContact O-ND2 3.29Å
174F28.4Very low35.9Very low174 Ų174126.1 Ų126.176%0.76367%0.669SS**THydrogen-bonded Turntrans-100.70.3173.9-89.4-90.4000113.4K170 Q172K170-F174 WeakPolarHBondContact O-CD2 3.43Å; Q172-F174 VanDerWaalsContact C-N 3.26Å; Q172-F174 PolarHBondContact O-N 3.38Å
175G26.9Very low33.8Very low64 Ų64127 Ų12766%0.6669%0.686SS**  trans-914.8-173.300000117Q172Q172-G175 PolarHBondContact O-N 3.19Å
176S28.7Very low31.8Very low105 Ų105131 Ų13173%0.73471%0.705SS**  trans-114.544.4-18068.10000114
177Q27.6Very low30.5Very low169 Ų169131.3 Ų131.379%0.7972%0.719SS**  trans-133.789.6156.1-73.1-164.8-3.800109.5Y179Q177-Y179 PolarHBondContact O-N 3.5Å
178L26.9Very low29.3Very low177 Ų177135 Ų13593%0.92774%0.742SS**  trans-58.5101.5159.2-93.1145.1000108S180L178-S180 PolarHBondContact O-N 2.62Å
179Y24.4Very low28.5Very low204 Ų204134.5 Ų134.580%0.876%0.758SS**PPolyproline II helixtrans-65.2116.7169-119.5-100.2000108.8Q177Q177-Y179 PolarHBondContact O-N 3.5Å
180S23.6Very low27.7Very low105 Ų105134.9 Ų134.973%0.73477%0.769SS**PPolyproline II helixtrans-83.9133159.7-65.90000108.3L178L178-S180 PolarHBondContact O-N 2.62Å
181P26.9Very low27.1Very low112 Ų112133.9 Ų133.973%0.72778%0.778SS**PPolyproline II helixtrans-72.3145.7-177.328.5-32000110.9K183P181-K183 PolarHBondContact O-N 3.47Å
182P27.7Very low26.8Very low124 Ų124130.4 Ų130.481%0.80578%0.78SS**PPolyproline II helixtrans-72.6122.517529.3-30.1000109.2S184P182-S184 PolarHBondContact O-N 3.33Å
183K26.1Very low26.2Very low203 Ų203128.4 Ų128.488%0.88378%0.781SS**PPolyproline II helixtrans-68.3123.8169.3-74.7-178.5176.7178.80109.2P181P181-K183 PolarHBondContact O-N 3.47Å
184S27.7Very low26.5Very low116 Ų116128.2 Ų128.281%0.81179%0.787SS**PPolyproline II helixtrans-58.9135.5159.347.20000109.3P182P182-S184 PolarHBondContact O-N 3.33Å
185S26.5Very low26.3Very low119 Ų119124.1 Ų124.183%0.83279%0.785SS**  trans-126.6111165.749.60000109.7
186V25.3Very low26.3Very low138 Ų138129.5 Ų129.584%0.83679%0.793SS**  trans-74.4145.5159.4176.50000107.4
187A26.5Very low26.1Very low92 Ų92133.3 Ų133.376%0.7680%0.799SS**  trans-56140.4179.400000113.9
188S24.3Very low26Very low123 Ų123129.2 Ų129.286%0.8679%0.794SS**  trans-156.7132.4148.5-48.80000109.1
189A26.5Very low25.8Very low97 Ų97129 Ų12980%0.80279%0.788SS**  trans-75.3145.4178.700000112.5
190S24.4Very low25.8Very low108 Ų108124 Ų12476%0.75578%0.783SS**  168.7116.312855.50000112.5
191S24.7Very low25.7Very low106 Ų106126 Ų12674%0.74179%0.786SS**  trans61.3137.3132.769.40000123.6
192V25.6Very low25.7Very low136 Ų136124.9 Ų124.982%0.82478%0.781SS**  trans105.296147.5-163.90000116.9
193S22.3Very low25.6Very low102 Ų102125.8 Ų125.871%0.71378%0.784SS**  trans-62.7171.7151.9-44.70000110.7
194P35.7Very low25.7Very low119 Ų119123.8 Ų123.877%0.77378%0.781SS**  cis-153.7171.332.442.7-20.3000119.6
195A24.1Very low25.6Very low87 Ų87128.4 Ų128.472%0.71979%0.787SS**  trans76.3141.6146.100000116.5
196Q26.3Very low25.6Very low178 Ų178131.8 Ų131.883%0.83279%0.786SS**  cis-152.6156.630.8-72.4173.5-37.400112.2
197H24.5Very low25.5Very low185 Ų185133 Ų13386%0.85679%0.789SS**  trans-14.6152.9152-68.1-91.4000117.4
198A25.7Very low25.5Very low83 Ų83133.7 Ų133.769%0.68679%0.788SS**  cis-161.1138.937.400000109.2
199E22.3Very low25.6Very low172 Ų172137.3 Ų137.380%0.80479%0.791SS**  46.5102.597.7-86.4-172.6174.100114.2
200S24Very low25.5Very low99 Ų99138.3 Ų138.369%0.69279%0.792SS**  89.4121.397680000111.9
201D23.4Very low25.5Very low147 Ų147139 Ų13979%0.78680%0.796SS**  177.3146.395.7-150.7-9.1000111.2
202S26.1Very low25.6Very low89 Ų89139.4 Ų139.462%0.62280%0.8SS**  trans-57.9150.4165.3610000112.8
203T25.9Very low25.8Very low142 Ų142144.2 Ų144.287%0.87180%0.803SS**  trans-168.1130134.2190000111.6
204I27.5Very low26.1Very low162 Ų162145.1 Ų145.183%0.83181%0.806SS**  trans-77.4127.8170.3-66165.8000108
205K25.9Very low25.6Very low213 Ų213145.4 Ų145.493%0.92681%0.808SS**  trans-138.1123.4151.9-96-174178.8177.10110.3
206K25.5Very low25.8Very low189 Ų189146.5 Ų146.582%0.82281%0.811SS**  trans-98.4123.2173.4-164.3-175.4-168.8-176.90105.4
207D24.1Very low25.8Very low165 Ų165143 Ų14388%0.88281%0.812SS**  trans-162.2145.6141.8-99.4-25.4000111.5
208S26.8Very low26.1Very low106 Ų106145.2 Ų145.274%0.74181%0.813SS**  trans-81.5142.5-164.542.30000114.5
209Q26.7Very low26.4Very low198 Ų198146.4 Ų146.493%0.92582%0.816SS**  trans-156.1133.1136.2-113176.49.200111.6
210S23.8Very low27Very low118 Ų118149.6 Ų149.683%0.82582%0.821SS**  trans-69.5136.1-173.651.60000113.9
211S25.1Very low28Very low122 Ų122151.4 Ų151.485%0.85381%0.813SS**  trans-142.1125.6138.1920000110.2
212S27.1Very low29.5Very low116 Ų116146 Ų14681%0.81179%0.786SS**  trans-84.9124.5-171.946.50000111.9
213R29.3Very low30.9Very low237 Ų237144.2 Ų144.289%0.89477%0.774SS**  trans-152.7124151.6-115.8177.4176.9-175-0.8109.2
214P27.9Very low33.1Very low120 Ų120138.8 Ų138.878%0.77974%0.739SS**PPolyproline II helixtrans-75.7137.1-179.430.2-30.8000109.6S216P214-S216 PolarHBondContact O-N 2.83Å
215P25.9Very low35.1Very low125 Ų125135 Ų13581%0.81273%0.727SS**PPolyproline II helixtrans-71.2127.9166.628.8-29.1000108.3A217P215-A217 PolarHBondContact O-N 3.49Å
216S27.4Very low37.2Very low111 Ų111124.9 Ų124.978%0.77668%0.683SS**PPolyproline II helixtrans-49.4129.9170.342.20000110.6P214 R218P214-S216 PolarHBondContact O-N 2.83Å; S216-R218 VanDerWaalsContact C-N 3.34Å; S216-R218 PolarHBondContact O-N 3.32Å
217A27.2Very low39.3Very low103 Ų103119.2 Ų119.285%0.85167%0.667SS**  trans-60.492.6175.100000110.3P215 S219P215-A217 PolarHBondContact O-N 3.49Å; A217-S219 VanDerWaalsContact C-N 3.31Å; A217-S219 PolarHBondContact O-N 2.88Å
218R31.3Very low41.6Very low232 Ų232112.2 Ų112.288%0.87563%0.63SS**  trans-65.999.5153.1-99.4-178.6171.2171.2-1.7106.2S216 R220S216-R218 VanDerWaalsContact C-N 3.34Å; S216-R218 PolarHBondContact O-N 3.32Å; R218-R220 PolarHBondContact O-N 2.79Å
219S31.7Very low43.7Very low109 Ų109111.1 Ų111.176%0.76262%0.62SS**  trans-49105.4161.7177.80000107.5A217 R221A217-S219 VanDerWaalsContact C-N 3.31Å; A217-S219 PolarHBondContact O-N 2.88Å; S219-R221 VanDerWaalsContact C-N 3.29Å; S219-R221 PolarHBondContact O-N 3.31Å
220R35.3Very low45.6Very low239 Ų239103.4 Ų103.490%0.90259%0.586SS**  trans-71.392.3176.2-69.5-175.2-172.9-174.72.3106.1R218 S222R218-R220 PolarHBondContact O-N 2.79Å; R220-S222 PolarHBondContact O-N 2.79Å
221R43.6Very low47.4Very low137 Ų137100.5 Ų100.552%0.51757%0.569SS.*  trans-53.1121.7164.4-104.1179.3178.1173.50.7107.6S219 S223 T607S219-R221 VanDerWaalsContact C-N 3.29Å; S219-R221 PolarHBondContact O-N 3.31Å; R221-S223 PolarHBondContact O-N 3.5Å; R221-T607 HydrophobicContact CB-CG2 4.06Å; R221-T607 HydrophobicContact CG-CG2 3.93Å
222S56.5Low48.9Very low32 Ų3296.6 Ų96.622%0.22454%0.542CS..  trans-83.6100.5177.751.10000109.1R220 R527 T607R220-S222 PolarHBondContact O-N 2.79Å; S222-R527 WeakPolarHBondContact CB-O 3.29Å; S222-R527 PolarHBondContact OG-O 3.05Å; S222-T607 WeakPolarHBondContact O-CG2 3.35Å
223S54.4Low50.1Low53 Ų5395.7 Ų95.737%0.37154%0.535SS..EExtended strand (participates in β ladder)trans-105.3147.7179.756.70000112.5R221 R527 E606R221-S223 PolarHBondContact O-N 3.5Å; S223-R527 PolarHBondContact O-NE 2.64Å; S223-E606 CarbonylContact C-O 3.57Å; S223-E606 WeakPolarHBondContact CA-O 3.43Å
224L71.5Confident50.6Low28 Ų2889.5 Ų89.515%0.14753%0.528CS..EExtended strand (participates in β ladder)trans-107.3140.2164.1-175.272.1000107.6K524 L526 I534 V605 E606L224-K524 HydrophobicContact CD1-CB 4.32Å; L224-K524 HydrophobicContact CD1-CD 4.32Å; L224-K524 HydrophobicContact CD2-CB 3.75Å; L224-K524 HydrophobicContact CD2-CD 4.25Å; L224-L526 HydrophobicContact CB-CD1 4.36Å; L224-I534 HydrophobicContact CD2-CB 4.26Å; L224-I534 HydrophobicContact CD2-CD1 3.64Å; L224-I534 HydrophobicContact CD2-CG1 4.5Å; L224-V605 CarbonylContact O-C 3.52Å; L224-V605 WeakPolarHBondContact O-CA 3.33Å; L224-V605 WeakPolarHBondContact O-CG1 3.14Å; L224-E606 PolarHBondContact N-O 2.98Å; L224-E606 PolarHBondContact O-N 3.48Å
225S70Confident51Low81 Ų8187.3 Ų87.357%0.56652%0.516SS*.EExtended strand (participates in β ladder)trans-122137173.459.40000111.5C604S225-C604 CarbonylContact C-O 3.47Å; S225-C604 WeakPolarHBondContact CA-O 3.24Å
226N70.7Confident51.8Low1 Ų191.7 Ų91.71%0.00552%0.522CS..EExtended strand (participates in β ladder)trans-126.399.5178.1-78.1-37.7000108.2K524 N603 C604 E606N226-K524 WeakPolarHBondContact OD1-CD 3.49Å; N226-K524 WeakPolarHBondContact OD1-CE 3.33Å; N226-K524 PolarHBondContact OD1-NZ 3.16Å; N226-N603 WeakPolarHBondContact O-CA 3.34Å; N226-C604 PolarHBondContact N-O 3.41Å; N226-C604 PolarHBondContact O-N 3.39Å; N226-E606 PolarHBondContact ND2-OE1 3.37Å; N226-E606 VanDerWaalsContact ND2-OE1 3.1Å; N226-E606 PolarHBondContact ND2-OE2 2.8Å
227S68.3Low52.4Low70 Ų7089.1 Ų89.149%0.4951%0.507SS..EExtended strand (participates in β ladder)trans-104.2133.4172.2-175.30000110.4Y602S227-Y602 CarbonylContact C-O 3.44Å; S227-Y602 VanDerWaalsContact CA-O 3.32Å; S227-Y602 WeakPolarHBondContact CA-O 3.22Å
228V73.9Confident53.6Low18 Ų1887.4 Ų87.411%0.10950%0.5CS..EExtended strand (participates in β ladder)trans-139.9123.4176.9-174.50000107.5V230 I543 Y602V228-V230 HydrophobicContact CG1-CG2 3.91Å; V228-I543 HydrophobicContact CB-CD1 4.28Å; V228-I543 HydrophobicContact CG1-CD1 4.3Å; V228-Y602 HydrophobicContact CB-CD1 4.39Å; V228-Y602 HydrophobicContact CG2-CD1 4.21Å; V228-Y602 PolarHBondContact N-O 2.92Å; V228-Y602 PolarHBondContact O-N 2.78Å
229T70.2Confident55.2Low84 Ų8483.9 Ų83.952%0.51549%0.491SS..EExtended strand (participates in β ladder)trans-101.4125.4168.4-60.50000107.9E599 V601T229-E599 HydrophobicContact CG2-CG 4.22Å; T229-E599 WeakPolarHBondContact CG2-OE1 3.45Å; T229-V601 HydrophobicContact CG2-CG2 4.19Å
230V67.6Low57.3Low36 Ų3680.6 Ų80.622%0.21847%0.466CS..EExtended strand (participates in β ladder)trans-112.5116.7175.5-178.50000107.2V228 W600V228-V230 HydrophobicContact CG1-CG2 3.91Å; V230-W600 HydrophobicContact CB-CD2 4.23Å; V230-W600 HydrophobicContact CB-CG 4.31Å; V230-W600 HydrophobicContact CB-CZ2 4.09Å; V230-W600 VanDerWaalsContact CB-NE1 3.26Å; V230-W600 HydrophobicContact CG1-CZ2 4.23Å; V230-W600 HydrophobicContact CG2-CD2 4.48Å; V230-W600 HydrophobicContact CG2-CZ2 3.83Å; V230-W600 PolarHBondContact N-O 3.24Å; V230-W600 PolarHBondContact O-N 3.2Å
231A61.7Low59.4Low57 Ų5776.7 Ų76.747%0.47146%0.458SS..  trans-61.1157.1178.500000111
232S55.8Low61.4Low40 Ų4075.7 Ų75.728%0.2846%0.459SS..  trans-56.5150.6174.157.70000110.7S234S232-S234 PolarHBondContact O-N 2.83Å
233S51.5Low62.9Low97 Ų9774.6 Ų74.668%0.67845%0.451SS*.THydrogen-bonded Turntrans-61.919.8-172.249.10000116.3E596S233-E596 PolarHBondContact OG-O 3.04Å
234S39.7Very low64.4Low106 Ų10677.8 Ų77.874%0.74147%0.473SS*.THydrogen-bonded Turntrans-97.26176.962.20000115.2S232S232-S234 PolarHBondContact O-N 2.83Å
235S37.6Very low65.1Low75 Ų7578.2 Ų78.252%0.52449%0.485SS..SBendtrans-139.4105-17857.70000116.3A237S235-A237 PolarHBondContact O-N 3.33Å
236K41.3Very low66Low217 Ų21775.1 Ų75.194%0.94346%0.462SS*.  trans46.451.9141.4-61.4-177.7177.1178.90119.2
237A41.3Very low66.9Low56 Ų5684.1 Ų84.146%0.46350%0.504SS..SBendtrans-96.8144150.700000108.9S235 K239S235-A237 PolarHBondContact O-N 3.33Å; A237-K239 PolarHBondContact O-N 3.24Å
238G52.5Low68Low67 Ų6787.6 Ų87.669%0.69152%0.517SS*.  trans-54.195.5-165.400000114.2V240G238-V240 PolarHBondContact O-N 3.11Å; G238-V240 VanDerWaalsContact O-N 3.09Å
239K64.3Low69.1Low159 Ų15988.2 Ų88.269%0.69152%0.517SS*.  trans-60.1114.1173.3-74.7-174169.9-169.30108.7A237 Q241A237-K239 PolarHBondContact O-N 3.24Å; K239-Q241 PolarHBondContact O-N 3.22Å
240V76.6Confident70.4Confident40 Ų4087.7 Ų87.724%0.24251%0.509CS..  trans-64.1104.3166.8177.80000106.4G238 Y282 S327 V334 K336G238-V240 PolarHBondContact O-N 3.11Å; G238-V240 VanDerWaalsContact O-N 3.09Å; V240-Y282 HydrophobicContact CG1-CE2 4.42Å; V240-S327 WeakPolarHBondContact CG2-OG 3.41Å; V240-V334 HydrophobicContact CB-CG1 4.17Å; V240-V334 HydrophobicContact CG1-CG1 3.77Å; V240-K336 HydrophobicContact CG1-CB 3.58Å; V240-K336 HydrophobicContact CG1-CD 4.38Å
241Q79.4Confident71.7Confident157 Ų15789.4 Ų89.473%0.73451%0.514SS*.PPolyproline II helixtrans-74.4140178.9-72.5-176.2-11.400110.2K239K239-Q241 PolarHBondContact O-N 3.22Å
242E85.3Confident73.3Confident116 Ų11687.5 Ų87.554%0.54250%0.498SS..PPolyproline II helixtrans-53.2133.9170.4-162.9174.112400110.1L246 Y282E242-L246 HydrophobicContact CG-CB 4.25Å; E242-L246 HydrophobicContact CG-CD2 3.52Å; E242-L246 HydrophobicContact CG-CG 4.43Å; E242-L246 WeakPolarHBondContact OE1-CD2 3.48Å; E242-Y282 HydrophobicContact CG-CE1 4.21Å
243P87.5Confident75.3Confident8 Ų888.6 Ų88.65%0.05250%0.497CS..PPolyproline II helixtrans-55.9139.2174.6-22.331.6000112G245 L246 W249 Y282 K336P243-G245 PolarHBondContact O-N 2.97Å; P243-L246 HydrophobicContact CB-CD1 4.33Å; P243-L246 HydrophobicContact CG-CD1 4.02Å; P243-L246 PolarHBondContact O-N 3.17Å; P243-W249 HydrophobicContact CB-CH2 3.88Å; P243-W249 HydrophobicContact CB-CZ2 3.71Å; P243-W249 HydrophobicContact CB-CZ3 4.49Å; P243-W249 HydrophobicContact CG-CH2 3.84Å; P243-W249 HydrophobicContact CG-CZ2 4.19Å; P243-W249 HydrophobicContact CG-CZ3 4.12Å; P243-Y282 HydrophobicContact CG-CD2 3.97Å; P243-Y282 HydrophobicContact CG-CG 4.03Å; P243-K336 HydrophobicContact CG-CD 4.22Å
244S85.2Confident77.4Confident120 Ų12084.6 Ų84.684%0.83947%0.468SS*.THydrogen-bonded Turntrans-64129.7170.252.20000109.9
245G86.1Confident80.1Confident37 Ų3779.9 Ų79.938%0.38143%0.434SS..THydrogen-bonded Turntrans7824.6-178.600000114.1P243 Q247 D248 W249P243-G245 PolarHBondContact O-N 2.97Å; G245-Q247 PolarHBondContact O-N 2.87Å; G245-D248 WeakPolarHBondContact O-CB 3.4Å; G245-D248 PolarHBondContact O-N 2.81Å; G245-W249 VanDerWaalsContact O-CD1 3.26Å
246L89.8Confident82.8Confident16 Ų1676.4 Ų76.48%0.08441%0.41CS..G310 helixtrans-54.8-26.9177.9-168.368.6000113.4E242 P243 D248 W249 Y282 H489E242-L246 HydrophobicContact CG-CB 4.25Å; E242-L246 HydrophobicContact CG-CD2 3.52Å; E242-L246 HydrophobicContact CG-CG 4.43Å; E242-L246 WeakPolarHBondContact OE1-CD2 3.48Å; P243-L246 HydrophobicContact CB-CD1 4.33Å; P243-L246 HydrophobicContact CG-CD1 4.02Å; P243-L246 PolarHBondContact O-N 3.17Å; L246-D248 PolarHBondContact O-N 3.43Å; L246-W249 HydrophobicContact CD1-CB 4.36Å; L246-W249 HydrophobicContact CD1-CD2 4.02Å; L246-W249 HydrophobicContact CD1-CE3 3.92Å; L246-W249 HydrophobicContact CD1-CG 4.22Å; L246-W249 WeakPolarHBondContact O-CB 3.37Å; L246-W249 PolarHBondContact O-N 2.96Å; L246-W249 VanDerWaalsContact O-N 3.13Å; L246-Y282 HydrophobicContact CD1-CD1 4.04Å; L246-Y282 HydrophobicContact CD1-CG 4.33Å; L246-Y282 HydrophobicContact CD2-CD1 3.82Å; L246-Y282 HydrophobicContact CD2-CE1 3.93Å; L246-H489 HydrophobicContact CD1-CB 3.52Å; L246-H489 HydrophobicContact CG-CB 4.38Å
247Q89.3Confident85.3Confident191 Ų19166.3 Ų66.389%0.89337%0.367SS*.G310 helixtrans-63.7-27.1175.5-62.7-175.2-1.100113.1G245 W249G245-Q247 PolarHBondContact O-N 2.87Å; Q247-W249 VanDerWaalsContact C-N 3.33Å
248D92.4Very high87.9Confident142 Ų14263.7 Ų63.776%0.75935%0.345SS*.G310 helixtrans-87.8-6.8178.1-55.5-48.1000112G245 L246G245-D248 WeakPolarHBondContact O-CB 3.4Å; G245-D248 PolarHBondContact O-N 2.81Å; L246-D248 PolarHBondContact O-N 3.43Å
249W96.5Very high89.7Confident31 Ų3161.7 Ų61.712%0.11732%0.317CS..SBendtrans-80.4146.2178-70.728.8000109.9P243 G245 L246 Q247 S280 H489 E491P243-W249 HydrophobicContact CB-CH2 3.88Å; P243-W249 HydrophobicContact CB-CZ2 3.71Å; P243-W249 HydrophobicContact CB-CZ3 4.49Å; P243-W249 HydrophobicContact CG-CH2 3.84Å; P243-W249 HydrophobicContact CG-CZ2 4.19Å; P243-W249 HydrophobicContact CG-CZ3 4.12Å; G245-W249 VanDerWaalsContact O-CD1 3.26Å; L246-W249 HydrophobicContact CD1-CB 4.36Å; L246-W249 HydrophobicContact CD1-CD2 4.02Å; L246-W249 HydrophobicContact CD1-CE3 3.92Å; L246-W249 HydrophobicContact CD1-CG 4.22Å; L246-W249 WeakPolarHBondContact O-CB 3.37Å; L246-W249 PolarHBondContact O-N 2.96Å; L246-W249 VanDerWaalsContact O-N 3.13Å; Q247-W249 VanDerWaalsContact C-N 3.33Å; W249-S280 VanDerWaalsContact CH2-CB 3.46Å; W249-S280 WeakPolarHBondContact CZ3-O 3.41Å; W249-H489 HydrophobicContact CB-CB 4.21Å; W249-H489 HydrophobicContact CE3-CB 3.97Å; W249-E491 HydrophobicContact CD2-CB 3.94Å; W249-E491 HydrophobicContact CE3-CB 4.19Å; W249-E491 HydrophobicContact CH2-CB 4.09Å; W249-E491 HydrophobicContact CZ2-CB 3.82Å; W249-E491 HydrophobicContact CZ2-CG 4.09Å; W249-E491 HydrophobicContact CZ3-CB 4.26Å
250H96.6Very high90.9Very high74 Ų7454.6 Ų54.634%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-66.1141.2171.1-69-87.8000109.6H489 C490 T493 Q494H250-H489 CarbonylContact O-C 3.53Å; H250-H489 VanDerWaalsContact O-CA 3.24Å; H250-H489 WeakPolarHBondContact O-CA 3.36Å; H250-C490 PolarHBondContact N-O 3.16Å; H250-C490 PolarHBondContact O-N 2.94Å; H250-T493 WeakPolarHBondContact CB-O 3.4Å; H250-T493 PolarHBondContact CD2-N 2.88Å; H250-Q494 PolarHBondContact ND1-OE1 3.01Å
251H95.3Very high91.2Very high71 Ų7154.6 Ų54.633%0.32929%0.286SS..EExtended strand (participates in β ladder)trans-128.1139.7-175173.8-122.7000110.1F253 D487 V488 H489 Q494H251-F253 AromaticContact CE1-CD1 3.71Å; H251-D487 IonicContact CD2-OD1 2.69Å; H251-D487 IonicContact CE1-OD1 3.5Å; H251-D487 PolarHBondContact CE1-OD1 3.06Å; H251-D487 IonicContact NE2-OD1 3.65Å; H251-D487 PolarHBondContact NE2-OD1 3.32Å; H251-V488 WeakPolarHBondContact CA-O 3.49Å; H251-H489 AromaticContact CD2-CD2 3.78Å; H251-H489 AromaticContact CD2-CE1 3.27Å; H251-H489 PolarHBondContact CD2-CE1 2.55Å; H251-H489 AromaticContact CD2-ND1 3.71Å; H251-H489 AromaticContact CD2-NE2 3.33Å; H251-H489 PolarHBondContact CD2-NE2 3.33Å; H251-H489 VanDerWaalsContact CD2-NE2 3.33Å; H251-H489 AromaticContact CG-CE1 3.65Å; H251-H489 AromaticContact CG-ND1 3.96Å; H251-H489 AromaticContact NE2-CE1 3.96Å; H251-H489 AromaticContact NE2-NE2 3.78Å; H251-Q494 PolarHBondContact O-NE2 2.89Å; H251-Q494 VanDerWaalsContact O-NE2 3.16Å
252C96.3Very high90.8Very high18 Ų1853.6 Ų53.612%0.12229%0.286CS..EExtended strand (participates in β ladder)trans-135.9155.6157.373.50000108.8V488 P495C252-V488 PolarHBondContact N-O 3.32Å; C252-V488 PolarHBondContact O-N 2.96Å; C252-P495 HydrophobicContact CB-CG 4.06Å; C252-P495 VanDerWaalsContact SG-CG 3.56Å
253F96.5Very high90Very high62 Ų6253.7 Ų53.727%0.27229%0.29SS..EExtended strand (participates in β ladder)trans-139.8162.7174.972.2-85.8000109.7H251 D399 Q485 I486H251-F253 AromaticContact CE1-CD1 3.71Å; F253-D399 WeakPolarHBondContact CE2-O 3.5Å; F253-D399 WeakPolarHBondContact CZ-O 3.44Å; F253-Q485 HydrophobicContact CB-CG 4.44Å; F253-Q485 HydrophobicContact CD2-CG 4.27Å; F253-I486 CarbonylContact C-O 3.58Å; F253-I486 WeakPolarHBondContact CA-O 3.43Å; F253-I486 VanDerWaalsContact CB-O 3.29Å; F253-I486 WeakPolarHBondContact CB-O 3.2Å
254M96.2Very high89.3Confident13 Ų1357.2 Ų57.26%0.06432%0.315CS..EExtended strand (participates in β ladder)trans-143.9141.7166-67.8-70.7-66.500108.2Y271 L398 I486 M497 P499M254-Y271 HydrophobicContact CB-CD1 3.84Å; M254-Y271 HydrophobicContact CB-CE1 3.64Å; M254-Y271 HydrophobicContact CE-CD1 4.15Å; M254-Y271 HydrophobicContact CE-CE1 3.99Å; M254-Y271 HydrophobicContact CG-CD1 3.92Å; M254-Y271 HydrophobicContact CG-CE1 4.15Å; M254-L398 WeakPolarHBondContact CA-O 3.33Å; M254-L398 HydrophobicContact CE-CB 3.69Å; M254-L398 HydrophobicContact CE-CD1 4.35Å; M254-I486 PolarHBondContact N-O 3.39Å; M254-I486 PolarHBondContact O-N 3.06Å; M254-M497 HydrophobicContact CB-CE 3.59Å; M254-M497 HydrophobicContact CG-CB 3.88Å; M254-M497 HydrophobicContact CG-CE 3.35Å; M254-M497 HydrophobicContact CG-CG 3.61Å; M254-M497 HydrophobicContact CG-SD 4.09Å; M254-M497 VanDerWaalsContact N-CE 3.25Å; M254-P499 HydrophobicContact CE-CB 4.08Å; M254-P499 HydrophobicContact CE-CG 3.92Å
255K96Very high89.2Confident7 Ų753.7 Ų53.73%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-84.1165167-52.3-178.2-155.5155.50110.4Y271 L288 E394 D397 L398 F484K255-Y271 PolarHBondContact O-OH 3.34Å; K255-L288 HydrophobicContact CD-CD2 3.77Å; K255-L288 HydrophobicContact CG-CD2 4.26Å; K255-E394 PolarHBondContact NZ-O 2.74Å; K255-E394 IonicContact NZ-OE1 2.81Å; K255-E394 PolarHBondContact NZ-OE1 3.22Å; K255-D397 VanDerWaalsContact CD-O 3.28Å; K255-D397 WeakPolarHBondContact CD-O 3.12Å; K255-D397 WeakPolarHBondContact CE-O 3.41Å; K255-D397 PolarHBondContact NZ-O 3.15Å; K255-D397 IonicContact NZ-OD2 2.81Å; K255-L398 PolarHBondContact N-O 2.76Å; K255-F484 CarbonylContact C-O 3.54Å; K255-F484 WeakPolarHBondContact CA-O 3.49Å
256G94.8Very high89.3Confident2 Ų254.2 Ų54.22%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-165.8-177.8171.700000110.7Y271 P483 F484G256-Y271 WeakPolarHBondContact CA-OH 3.47Å; G256-P483 CarbonylContact O-C 3.59Å; G256-P483 WeakPolarHBondContact O-CA 3.49Å; G256-F484 PolarHBondContact N-O 3.26Å; G256-F484 PolarHBondContact O-N 3.33Å; G256-F484 VanDerWaalsContact O-O 3.14Å
257C94.4Very high89.1Confident5 Ų554.8 Ų54.83%0.03429%0.289CS..EExtended strand (participates in β ladder)trans-143.2143.2175.9-166.50000110.3F259 S268 M395 A481 F484C257-F259 HydrophobicContact CB-CD2 4.22Å; C257-F259 HydrophobicContact CB-CE1 4.25Å; C257-F259 HydrophobicContact CB-CE2 3.57Å; C257-F259 HydrophobicContact CB-CZ 3.58Å; C257-S268 WeakPolarHBondContact O-CA 3.38Å; C257-S268 WeakPolarHBondContact O-CB 3.47Å; C257-S268 PolarHBondContact O-OG 3.37Å; C257-M395 HydrophobicContact CB-CG 3.88Å; C257-M395 HydrophobicContact CB-SD 3.76Å; C257-M395 PolarHBondContact SG-SD 3.05Å; C257-A481 VanDerWaalsContact SG-CB 3.59Å; C257-F484 VanDerWaalsContact C-CE1 3.41Å
258F94.6Very high89.3Confident2 Ų247.5 Ų47.51%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-89130.3162.4-63.2-68.6000108I266 S267 I285 T305 P348 F349 T350 L355 A481 C482 F484F258-I266 HydrophobicContact CB-CG2 3.93Å; F258-I266 HydrophobicContact CD1-CG2 3.97Å; F258-I266 HydrophobicContact CG-CG2 4.35Å; F258-S267 WeakPolarHBondContact CA-O 3.12Å; F258-I285 HydrophobicContact CZ-CD1 4.39Å; F258-T305 HydrophobicContact CD2-CG2 4.4Å; F258-T305 HydrophobicContact CE2-CG2 3.67Å; F258-P348 HydrophobicContact CE1-CB 3.61Å; F258-P348 HydrophobicContact CZ-CB 3.63Å; F258-F349 VanDerWaalsContact CZ-C 3.46Å; F258-F349 WeakPolarHBondContact CZ-O 3.37Å; F258-T350 HydrophobicContact CB-CG2 4.08Å; F258-T350 HydrophobicContact CD1-CG2 3.69Å; F258-T350 HydrophobicContact CD2-CG2 4.02Å; F258-T350 HydrophobicContact CE1-CG2 4.12Å; F258-T350 HydrophobicContact CE2-CG2 4.42Å; F258-T350 HydrophobicContact CG-CG2 3.65Å; F258-T350 HydrophobicContact CZ-CG2 4.47Å; F258-L355 HydrophobicContact CB-CD2 3.8Å; F258-A481 CarbonylContact O-C 3.48Å; F258-A481 WeakPolarHBondContact O-CA 3.35Å; F258-C482 HydrophobicContact CB-CB 4.23Å; F258-C482 HydrophobicContact CD2-CB 4.28Å; F258-C482 PolarHBondContact N-O 3.31Å; F258-C482 PolarHBondContact O-N 3.08Å; F258-F484 HydrophobicContact CD1-CE1 4.09Å; F258-F484 AromaticContact CD2-CD1 3.41Å; F258-F484 HydrophobicContact CD2-CD1 3.41Å; F258-F484 VanDerWaalsContact CD2-CD1 3.41Å; F258-F484 AromaticContact CD2-CE1 3.77Å; F258-F484 HydrophobicContact CD2-CE1 3.77Å; F258-F484 HydrophobicContact CD2-CG 4.47Å; F258-F484 HydrophobicContact CE1-CD1 4.44Å; F258-F484 AromaticContact CE1-CE1 3.95Å; F258-F484 HydrophobicContact CE1-CE1 3.95Å; F258-F484 HydrophobicContact CE2-CB 4.44Å; F258-F484 AromaticContact CE2-CD1 3.25Å; F258-F484 HydrophobicContact CE2-CD1 3.25Å; F258-F484 AromaticContact CE2-CE1 3.6Å; F258-F484 HydrophobicContact CE2-CE1 3.6Å; F258-F484 HydrophobicContact CE2-CG 4.03Å; F258-F484 HydrophobicContact CG-CD1 4.08Å; F258-F484 AromaticContact CG-CE1 3.99Å; F258-F484 HydrophobicContact CG-CE1 3.99Å; F258-F484 AromaticContact CZ-CD1 3.82Å; F258-F484 HydrophobicContact CZ-CD1 3.82Å; F258-F484 AromaticContact CZ-CE1 3.7Å; F258-F484 HydrophobicContact CZ-CE1 3.7Å; F258-F484 HydrophobicContact CZ-CZ 4.45Å
259F91.3Very high89.2Confident24 Ų2442.4 Ų42.411%0.10523%0.232CC..EExtended strand (participates in β ladder)trans-119.8145.7174-59.6-86000110.8C257 I266 S267 M395 M470 A481C257-F259 HydrophobicContact CB-CD2 4.22Å; C257-F259 HydrophobicContact CB-CE1 4.25Å; C257-F259 HydrophobicContact CB-CE2 3.57Å; C257-F259 HydrophobicContact CB-CZ 3.58Å; F259-I266 CarbonylContact O-C 3.42Å; F259-I266 VanDerWaalsContact O-CA 3.27Å; F259-I266 WeakPolarHBondContact O-CA 3.14Å; F259-S267 PolarHBondContact N-O 2.73Å; F259-S267 PolarHBondContact O-N 3.12Å; F259-M395 HydrophobicContact CE1-SD 3.9Å; F259-M395 HydrophobicContact CZ-SD 3.8Å; F259-M470 HydrophobicContact CE1-CE 4.12Å; F259-M470 HydrophobicContact CE1-SD 4.41Å; F259-M470 HydrophobicContact CZ-CE 3.99Å; F259-M470 HydrophobicContact CZ-SD 4.47Å; F259-A481 HydrophobicContact CD1-CB 3.58Å; F259-A481 HydrophobicContact CE1-CB 3.89Å; F259-A481 HydrophobicContact CG-CB 4.47Å
260V89.1Confident88.9Confident10 Ų1041.5 Ų41.56%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-86.6119.2169.1-172.30000108.3L355 K357 E480V260-L355 HydrophobicContact CG2-CD1 4.12Å; V260-L355 HydrophobicContact CG2-CD2 4.15Å; V260-L355 HydrophobicContact CG2-CG 3.6Å; V260-K357 HydrophobicContact CG1-CB 3.87Å; V260-K357 HydrophobicContact CG1-CG 4.39Å; V260-E480 HydrophobicContact CB-CB 4.17Å; V260-E480 HydrophobicContact CG2-CB 4.37Å; V260-E480 PolarHBondContact N-O 3.43Å
261D82.4Confident88.8Confident41 Ų4138 Ų3822%0.21921%0.213CC..  trans-86.9171.9176.5-60.2-33.8000111.2N263 S264 S265 S267 R415D261-N263 PolarHBondContact O-N 3.02Å; D261-S264 WeakPolarHBondContact O-CA 3.47Å; D261-S264 PolarHBondContact O-N 2.9Å; D261-S265 PolarHBondContact N-O 3.39Å; D261-S267 VanDerWaalsContact CG-OG 3.24Å; D261-S267 PolarHBondContact OD1-OG 2.96Å; D261-S267 WeakPolarHBondContact OD2-CB 3.37Å; D261-S267 PolarHBondContact OD2-OG 3.48Å; D261-S267 VanDerWaalsContact OD2-OG 3.05Å; D261-R415 IonicContact OD1-CZ 2.69Å; D261-R415 IonicContact OD1-NH1 2.83Å; D261-R415 PolarHBondContact OD1-NH1 2.88Å; D261-R415 IonicContact OD1-NH2 3.59Å; D261-R415 PolarHBondContact OD1-NH2 2.74Å
262D71.8Confident88.7Confident135 Ų13537 Ų3772%0.72221%0.208SC*.THydrogen-bonded Turntrans-58.5-30.6-171.7-88-35.3000115.4S264 K357D262-S264 PolarHBondContact O-N 2.95Å; D262-K357 VanDerWaalsContact CA-NZ 3.27Å; D262-K357 PolarHBondContact O-NZ 2.94Å; D262-K357 VanDerWaalsContact O-NZ 3.12Å; D262-K357 IonicContact OD1-NZ 3.57Å; D262-K357 PolarHBondContact OD1-NZ 2.97Å
263N68.1Low88.7Confident119 Ų11936.2 Ų36.264%0.63620%0.203SC*.THydrogen-bonded Turntrans-85.213.9177.664.10.2000113.3D261 S265D261-N263 PolarHBondContact O-N 3.02Å; N263-S265 PolarHBondContact ND2-OG 3.01Å; N263-S265 PolarHBondContact O-N 3.24Å; N263-S265 VanDerWaalsContact O-N 3.13Å; N263-S265 WeakPolarHBondContact OD1-CB 3.25Å; N263-S265 PolarHBondContact OD1-N 3.45Å; N263-S265 PolarHBondContact OD1-OG 3.06Å
264S73.4Confident88.7Confident82 Ų8237 Ų3757%0.57321%0.207SC*.SBendtrans59.316.7-173.7-53.70000114.1D261 D262D261-S264 WeakPolarHBondContact O-CA 3.47Å; D261-S264 PolarHBondContact O-N 2.9Å; D262-S264 PolarHBondContact O-N 2.95Å
265S81.9Confident88.7Confident46 Ų4636.4 Ų36.432%0.32220%0.204SC..  trans-81.6161.7168.881.40000110.1D261 N263D261-S265 PolarHBondContact N-O 3.39Å; N263-S265 PolarHBondContact ND2-OG 3.01Å; N263-S265 PolarHBondContact O-N 3.24Å; N263-S265 VanDerWaalsContact O-N 3.13Å; N263-S265 WeakPolarHBondContact OD1-CB 3.25Å; N263-S265 PolarHBondContact OD1-N 3.45Å; N263-S265 PolarHBondContact OD1-OG 3.06Å
266I88.4Confident88.7Confident47 Ų4739.5 Ų39.524%0.24123%0.225CC..EExtended strand (participates in β ladder)trans-110.1123.1-178.8-60.8177.1000108.7F258 F259 T350 L355F258-I266 HydrophobicContact CB-CG2 3.93Å; F258-I266 HydrophobicContact CD1-CG2 3.97Å; F258-I266 HydrophobicContact CG-CG2 4.35Å; F259-I266 CarbonylContact O-C 3.42Å; F259-I266 VanDerWaalsContact O-CA 3.27Å; F259-I266 WeakPolarHBondContact O-CA 3.14Å; I266-T350 HydrophobicContact CD1-CG2 3.64Å; I266-T350 HydrophobicContact CG2-CG2 3.74Å; I266-L355 HydrophobicContact CD1-CD2 4.45Å
267S87.1Confident88.8Confident29 Ų2944.2 Ų44.220%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-104.3151.6172.5560000111F258 F259 D261 R415F258-S267 WeakPolarHBondContact CA-O 3.12Å; F259-S267 PolarHBondContact N-O 2.73Å; F259-S267 PolarHBondContact O-N 3.12Å; D261-S267 VanDerWaalsContact CG-OG 3.24Å; D261-S267 PolarHBondContact OD1-OG 2.96Å; D261-S267 WeakPolarHBondContact OD2-CB 3.37Å; D261-S267 PolarHBondContact OD2-OG 3.48Å; D261-S267 VanDerWaalsContact OD2-OG 3.05Å; S267-R415 PolarHBondContact OG-NH1 3.46Å
268S91.5Very high88.9Confident37 Ų3749.2 Ų49.226%0.25927%0.268SS..EExtended strand (participates in β ladder)trans-161.4155.9173.4-166.70000110C257 F484C257-S268 WeakPolarHBondContact O-CA 3.38Å; C257-S268 WeakPolarHBondContact O-CB 3.47Å; C257-S268 PolarHBondContact O-OG 3.37Å; S268-F484 WeakPolarHBondContact OG-CE1 3.35Å; S268-F484 VanDerWaalsContact OG-CZ 3.28Å; S268-F484 WeakPolarHBondContact OG-CZ 3.41Å
269L90.7Very high89Confident36 Ų3649.4 Ų49.419%0.18827%0.269CS..  trans-63155.3171.6-66.4174.4000111.3Y271 P348 L398 L411L269-Y271 HydrophobicContact CB-CE2 4.26Å; L269-P348 WeakPolarHBondContact O-CD 3.43Å; L269-P348 VanDerWaalsContact O-CG 3.28Å; L269-P348 WeakPolarHBondContact O-CG 3.39Å; L269-L398 HydrophobicContact CD1-CD1 3.68Å; L269-L398 HydrophobicContact CD1-CD2 4.05Å; L269-L411 HydrophobicContact CD1-CD1 3.94Å; L269-L411 HydrophobicContact CD2-CD1 4.16Å; L269-L411 HydrophobicContact CD2-CD2 3.84Å
270Q91.8Very high89.3Confident12 Ų1250.1 Ų50.16%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-112.4163.3169.4-56.7-167.5-10.500109L347 P499 L500 G505Q270-L347 HydrophobicContact CB-CD2 4.35Å; Q270-L347 HydrophobicContact CG-CD2 4.01Å; Q270-P499 CarbonylContact O-C 3.5Å; Q270-L500 HydrophobicContact CB-CB 4.22Å; Q270-L500 HydrophobicContact CB-CD1 4.44Å; Q270-L500 PolarHBondContact N-O 3.03Å; Q270-L500 WeakPolarHBondContact O-CB 3.43Å; Q270-L500 PolarHBondContact O-N 3Å; Q270-G505 VanDerWaalsContact NE2-C 3.3Å; Q270-G505 PolarHBondContact NE2-O 3.1Å
271Y93.6Very high89.6Confident0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-133.8142.3-178-50-95.8000110.9M254 K255 G256 L269 R345 L346 P348 F484 I486 Q498 P499M254-Y271 HydrophobicContact CB-CD1 3.84Å; M254-Y271 HydrophobicContact CB-CE1 3.64Å; M254-Y271 HydrophobicContact CE-CD1 4.15Å; M254-Y271 HydrophobicContact CE-CE1 3.99Å; M254-Y271 HydrophobicContact CG-CD1 3.92Å; M254-Y271 HydrophobicContact CG-CE1 4.15Å; K255-Y271 PolarHBondContact O-OH 3.34Å; G256-Y271 WeakPolarHBondContact CA-OH 3.47Å; L269-Y271 HydrophobicContact CB-CE2 4.26Å; Y271-R345 CarbonylContact O-C 3.58Å; Y271-R345 WeakPolarHBondContact O-CA 3.43Å; Y271-L346 PolarHBondContact N-O 3.18Å; Y271-L346 VanDerWaalsContact N-O 3.09Å; Y271-L346 PolarHBondContact O-N 2.95Å; Y271-P348 HydrophobicContact CD2-CG 4.12Å; Y271-P348 HydrophobicContact CE2-CG 3.73Å; Y271-F484 HydrophobicContact CE2-CE2 4.22Å; Y271-F484 HydrophobicContact CE2-CZ 4.39Å; Y271-I486 HydrophobicContact CD2-CD1 3.79Å; Y271-I486 HydrophobicContact CE2-CD1 3.77Å; Y271-Q498 CarbonylContact C-O 3.51Å; Y271-Q498 WeakPolarHBondContact CA-O 3.42Å; Y271-P499 HydrophobicContact CD1-CB 4.2Å; Y271-P499 HydrophobicContact CE1-CB 4.17Å
272H93.6Very high90.3Very high49 Ų4948.2 Ų48.223%0.22727%0.266CS..EExtended strand (participates in β ladder)trans-88.6126.4161.4-83.8152.3000109.1T343 Y344 R345 M497 Q498 L500H272-T343 HydrophobicContact CB-CG2 4.17Å; H272-Y344 CarbonylContact C-O 3.58Å; H272-Y344 WeakPolarHBondContact CA-O 3.36Å; H272-R345 PolarHBondContact NE2-NE 2.88Å; H272-M497 CarbonylContact O-C 3.56Å; H272-M497 WeakPolarHBondContact O-CA 3.3Å; H272-M497 WeakPolarHBondContact O-CG 3.44Å; H272-Q498 PolarHBondContact N-O 3.04Å; H272-Q498 PolarHBondContact O-N 2.94Å; H272-L500 HydrophobicContact CB-CD1 4.31Å; H272-L500 VanDerWaalsContact CD2-CD1 3.5Å; H272-L500 WeakPolarHBondContact CD2-CD1 3.3Å; H272-L500 WeakPolarHBondContact ND1-CD2 3.46Å
273L96.2Very high91.5Very high3 Ų342 Ų422%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-104121.2166.5171.765.1000108.1L275 T343 Y344 L346 V488 P495L273-L275 HydrophobicContact CD1-CD2 4.06Å; L273-L275 HydrophobicContact CD2-CD2 4.32Å; L273-L275 HydrophobicContact CD2-CG 4.48Å; L273-L275 HydrophobicContact CG-CD2 4.13Å; L273-L275 HydrophobicContact CG-CG 4.3Å; L273-T343 CarbonylContact O-C 3.57Å; L273-T343 WeakPolarHBondContact O-CA 3.45Å; L273-Y344 PolarHBondContact N-O 3.32Å; L273-Y344 PolarHBondContact O-N 2.89Å; L273-L346 HydrophobicContact CB-CD1 4.07Å; L273-L346 HydrophobicContact CB-CD2 4.22Å; L273-L346 HydrophobicContact CB-CG 4.03Å; L273-L346 HydrophobicContact CD2-CD2 4.28Å; L273-V488 HydrophobicContact CD1-CB 4.46Å; L273-V488 HydrophobicContact CD1-CG1 4.01Å; L273-V488 HydrophobicContact CD1-CG2 4.26Å; L273-V488 HydrophobicContact CD2-CG1 4.05Å; L273-V488 HydrophobicContact CD2-CG2 4.32Å; L273-P495 HydrophobicContact CD1-CB 3.91Å
274H96.6Very high92.9Very high77 Ų7736.5 Ų36.536%0.35620%0.203SC..EExtended strand (participates in β ladder)trans-106.3127.5173.9-179.972.7000110.5T343 S496H274-T343 PolarHBondContact ND1-OG1 2.89Å; H274-S496 WeakPolarHBondContact CB-OG 3.41Å; H274-S496 PolarHBondContact N-O 2.99Å; H274-S496 PolarHBondContact O-N 3.15Å; H274-S496 VanDerWaalsContact O-N 3.16Å
275L96.4Very high94Very high1 Ų132.6 Ų32.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-113.8112.3176.1-60.2-177000109.1L273 Q277 T279 V281 L339 A341 G342 Y344 P495L273-L275 HydrophobicContact CD1-CD2 4.06Å; L273-L275 HydrophobicContact CD2-CD2 4.32Å; L273-L275 HydrophobicContact CD2-CG 4.48Å; L273-L275 HydrophobicContact CG-CD2 4.13Å; L273-L275 HydrophobicContact CG-CG 4.3Å; L275-Q277 VanDerWaalsContact C-N 3.28Å; L275-Q277 PolarHBondContact O-N 3.17Å; L275-T279 HydrophobicContact CD1-CG2 4.22Å; L275-T279 HydrophobicContact CD2-CG2 4.42Å; L275-V281 HydrophobicContact CD1-CG2 4.08Å; L275-L339 HydrophobicContact CD1-CB 3.55Å; L275-L339 HydrophobicContact CD1-CD1 3.91Å; L275-L339 HydrophobicContact CD1-CG 4.36Å; L275-A341 WeakPolarHBondContact O-CA 3.42Å; L275-G342 PolarHBondContact N-O 3Å; L275-G342 PolarHBondContact O-N 2.9Å; L275-Y344 HydrophobicContact CD1-CD2 4.22Å; L275-Y344 HydrophobicContact CD1-CE2 3.79Å; L275-Y344 HydrophobicContact CG-CD2 4.37Å; L275-Y344 HydrophobicContact CG-CE2 4.21Å; L275-P495 HydrophobicContact CD2-CB 3.91Å
276P95.7Very high94.7Very high73 Ų7332.2 Ų32.247%0.47417%0.169SC..SBendtrans-62.5-33.9-179.3-25.133.7000113.7Q494P276-Q494 WeakPolarHBondContact CD-O 3.47Å; P276-Q494 WeakPolarHBondContact CG-O 3.47Å
277Q95.6Very high94.9Very high100 Ų10030.2 Ų30.247%0.46716%0.159SC..SBendtrans-140.5163.7-179.861.4-175.76.300111.3L275 T279 G492 T493L275-Q277 VanDerWaalsContact C-N 3.28Å; L275-Q277 PolarHBondContact O-N 3.17Å; Q277-T279 PolarHBondContact O-N 2.91Å; Q277-G492 PolarHBondContact NE2-O 3.32Å; Q277-T493 HydrophobicContact CG-CG2 4.03Å
278K97.2Very high95.2Very high110 Ų11030.1 Ų30.148%0.47816%0.156SC..  trans-60.7129173.2-178.5-179.8-179.4-163.90109.6E338 L339K278-E338 WeakPolarHBondContact CE-OE1 3.49Å; K278-E338 VanDerWaalsContact CE-OE2 3.24Å; K278-E338 WeakPolarHBondContact CE-OE2 3.48Å; K278-E338 HydrophobicContact CG-CG 4.31Å; K278-E338 IonicContact NZ-OE1 3.56Å; K278-E338 PolarHBondContact NZ-OE1 3.15Å; K278-E338 IonicContact NZ-OE2 3.58Å; K278-E338 PolarHBondContact NZ-OE2 3.36Å; K278-L339 VanDerWaalsContact CA-O 3.31Å; K278-L339 WeakPolarHBondContact CA-O 3.18Å
279T97Very high95Very high7 Ų731.7 Ų31.74%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-153156.3-171.9-176.90000112.4L275 Q277 V281 L339 C490 E491 T493L275-T279 HydrophobicContact CD1-CG2 4.22Å; L275-T279 HydrophobicContact CD2-CG2 4.42Å; Q277-T279 PolarHBondContact O-N 2.91Å; T279-V281 HydrophobicContact CG2-CG2 3.79Å; T279-L339 PolarHBondContact N-O 3.15Å; T279-L339 PolarHBondContact O-N 2.7Å; T279-C490 HydrophobicContact CG2-CB 3.97Å; T279-E491 PolarHBondContact OG1-N 3.41Å; T279-E491 VanDerWaalsContact OG1-N 3.11Å; T279-E491 PolarHBondContact OG1-O 3.13Å; T279-T493 HydrophobicContact CG2-CG2 3.49Å; T279-T493 VanDerWaalsContact CG2-CG2 3.49Å
280S96.8Very high94.6Very high39 Ų3930.4 Ų30.427%0.27316%0.16SC..EExtended strand (participates in β ladder)trans-70130.4164.2-53.80000109.4W249 C490 E491W249-S280 VanDerWaalsContact CH2-CB 3.46Å; W249-S280 WeakPolarHBondContact CZ3-O 3.41Å; S280-C490 WeakPolarHBondContact O-CA 3.45Å; S280-E491 VanDerWaalsContact CB-OE2 3.27Å; S280-E491 WeakPolarHBondContact CB-OE2 3.49Å; S280-E491 PolarHBondContact O-N 3.5Å; S280-E491 VanDerWaalsContact O-N 3.07Å; S280-E491 PolarHBondContact OG-OE2 3.39Å
281V96.9Very high93.4Very high2 Ų231.5 Ų31.51%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-122.3133.6-177.7-179.80000110.5L275 T279 L283 W335 K336 G337 L339 V488 H489L275-V281 HydrophobicContact CD1-CG2 4.08Å; T279-V281 HydrophobicContact CG2-CG2 3.79Å; V281-L283 HydrophobicContact CG1-CB 4.38Å; V281-W335 HydrophobicContact CB-CZ3 4.03Å; V281-W335 HydrophobicContact CG1-CZ3 4.23Å; V281-K336 WeakPolarHBondContact O-CA 3.38Å; V281-G337 PolarHBondContact N-O 3.2Å; V281-G337 PolarHBondContact O-N 3.11Å; V281-G337 VanDerWaalsContact O-N 3.08Å; V281-L339 HydrophobicContact CB-CD1 4.29Å; V281-L339 HydrophobicContact CB-CG 4.39Å; V281-L339 HydrophobicContact CG1-CD1 4.34Å; V281-L339 HydrophobicContact CG2-CB 4.04Å; V281-L339 HydrophobicContact CG2-CD1 3.99Å; V281-L339 HydrophobicContact CG2-CG 4.04Å; V281-V488 HydrophobicContact CG1-CG1 3.96Å; V281-H489 WeakPolarHBondContact CA-O 3.43Å
282Y96.6Very high91.7Very high9 Ų939.2 Ų39.24%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-116.2108.6167.6-175.4-108.4000108.3V240 E242 P243 L246 T284 V334 K336 H489V240-Y282 HydrophobicContact CG1-CE2 4.42Å; E242-Y282 HydrophobicContact CG-CE1 4.21Å; P243-Y282 HydrophobicContact CG-CD2 3.97Å; P243-Y282 HydrophobicContact CG-CG 4.03Å; L246-Y282 HydrophobicContact CD1-CD1 4.04Å; L246-Y282 HydrophobicContact CD1-CG 4.33Å; L246-Y282 HydrophobicContact CD2-CD1 3.82Å; L246-Y282 HydrophobicContact CD2-CE1 3.93Å; Y282-T284 HydrophobicContact CD1-CG2 4.03Å; Y282-T284 HydrophobicContact CE1-CG2 3.5Å; Y282-T284 VanDerWaalsContact CE1-CG2 3.5Å; Y282-V334 HydrophobicContact CD2-CG1 4.08Å; Y282-V334 HydrophobicContact CE2-CG1 3.29Å; Y282-K336 HydrophobicContact CD2-CB 4.14Å; Y282-K336 HydrophobicContact CD2-CG 4.4Å; Y282-H489 PolarHBondContact N-O 2.97Å; Y282-H489 PolarHBondContact O-N 3.34Å
283L97.3Very high89.8Confident3 Ų344.2 Ų44.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-110127.7-174.5173.865.9000109.1V281 V307 V309 T325 V334 W335 I486 D487 V488V281-L283 HydrophobicContact CG1-CB 4.38Å; L283-V307 HydrophobicContact CD2-CB 4.45Å; L283-V307 HydrophobicContact CD2-CG1 4.24Å; L283-V309 HydrophobicContact CD2-CG2 3.56Å; L283-T325 HydrophobicContact CD2-CG2 4.03Å; L283-T325 HydrophobicContact CG-CG2 3.97Å; L283-V334 WeakPolarHBondContact O-CA 3.5Å; L283-W335 HydrophobicContact CB-CB 4.48Å; L283-W335 HydrophobicContact CB-CE3 4.26Å; L283-W335 PolarHBondContact N-O 2.78Å; L283-W335 PolarHBondContact O-N 3.08Å; L283-I486 HydrophobicContact CD1-CG2 3.69Å; L283-D487 WeakPolarHBondContact CA-O 3.44Å; L283-V488 HydrophobicContact CD1-CG2 3.62Å
284T96.8Very high87.8Confident4 Ų449.8 Ų49.83%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-130.4150.6173.876.40000112.5Y282 Y333 V334 I486 D487Y282-T284 HydrophobicContact CD1-CG2 4.03Å; Y282-T284 HydrophobicContact CE1-CG2 3.5Å; Y282-T284 VanDerWaalsContact CE1-CG2 3.5Å; T284-Y333 CarbonylContact C-O 3.57Å; T284-Y333 WeakPolarHBondContact CA-O 3.49Å; T284-V334 HydrophobicContact CG2-CB 4.47Å; T284-V334 HydrophobicContact CG2-CG1 4.22Å; T284-V334 HydrophobicContact CG2-CG2 3.99Å; T284-I486 CarbonylContact O-C 3.54Å; T284-I486 VanDerWaalsContact O-CA 3.31Å; T284-I486 WeakPolarHBondContact O-CA 3.27Å; T284-D487 PolarHBondContact N-O 3.27Å; T284-D487 PolarHBondContact O-N 3.04Å
285I97.2Very high85.8Confident0 Ų053.3 Ų53.30%028%0.28CS..EExtended strand (participates in β ladder)trans-133.2141.8165.7-176.2171.8000109.4F258 V307 T325 Y333 P348 F484 Q485 I486F258-I285 HydrophobicContact CZ-CD1 4.39Å; I285-V307 HydrophobicContact CB-CG2 3.77Å; I285-V307 HydrophobicContact CD1-CG2 3.53Å; I285-V307 HydrophobicContact CG1-CG2 4.16Å; I285-V307 HydrophobicContact CG2-CG2 3.92Å; I285-T325 HydrophobicContact CG2-CG2 4.38Å; I285-Y333 PolarHBondContact N-O 3.17Å; I285-Y333 PolarHBondContact O-N 2.85Å; I285-P348 HydrophobicContact CD1-CB 4.39Å; I285-F484 HydrophobicContact CD1-CB 4.42Å; I285-F484 HydrophobicContact CD1-CD2 3.82Å; I285-F484 HydrophobicContact CD1-CE2 4.28Å; I285-F484 HydrophobicContact CD1-CG 4.09Å; I285-F484 HydrophobicContact CG1-CB 4.33Å; I285-F484 HydrophobicContact CG1-CD2 4.2Å; I285-F484 HydrophobicContact CG1-CG 4.46Å; I285-Q485 VanDerWaalsContact CA-O 3.28Å; I285-Q485 WeakPolarHBondContact CA-O 3.41Å; I285-I486 HydrophobicContact CB-CG1 4.33Å; I285-I486 HydrophobicContact CD1-CD1 4.5Å; I285-I486 HydrophobicContact CD1-CG1 4.01Å; I285-I486 HydrophobicContact CG1-CG1 4.07Å
286Q94.8Very high84.1Confident39 Ų3959.7 Ų59.718%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-149.6151.3175.459.3-179.80.500110.9K332 F484 Q485Q286-K332 HydrophobicContact CB-CG 4.08Å; Q286-K332 HydrophobicContact CG-CG 4.38Å; Q286-F484 CarbonylContact O-C 3.57Å; Q286-F484 WeakPolarHBondContact O-CA 3.39Å; Q286-F484 VanDerWaalsContact O-CB 3.25Å; Q286-F484 WeakPolarHBondContact O-CB 3.42Å; Q286-Q485 PolarHBondContact N-O 3.48Å; Q286-Q485 VanDerWaalsContact N-O 3.11Å; Q286-Q485 PolarHBondContact O-N 3.42Å
287P94.4Very high82.6Confident4 Ų462 Ų623%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-52.7140.8164.1-24.835.6000111.1M301 T305 P483P287-M301 HydrophobicContact CB-CE 4.21Å; P287-M301 HydrophobicContact CB-SD 3.84Å; P287-T305 HydrophobicContact CG-CG2 4Å; P287-P483 CarbonylContact C-O 3.55Å; P287-P483 WeakPolarHBondContact CA-O 3.37Å
288L91.8Very high81.7Confident28 Ų2858.4 Ų58.415%0.14731%0.306CS..PPolyproline II helixtrans-99.1131.4-178.5179.667.9000109.7K255 L290 W300 P483K255-L288 HydrophobicContact CD-CD2 3.77Å; K255-L288 HydrophobicContact CG-CD2 4.26Å; L288-L290 HydrophobicContact CD2-CD2 3.73Å; L288-L290 HydrophobicContact CG-CD2 4.02Å; L288-W300 PolarHBondContact O-NE1 3.09Å; L288-P483 HydrophobicContact CB-CB 4.02Å; L288-P483 PolarHBondContact N-O 3.39Å
289S88.3Confident80.6Confident69 Ų6956.3 Ų56.348%0.48331%0.309SS..PPolyproline II helixtrans-89.1117173.9-169.50000110.7Q298S289-Q298 PolarHBondContact OG-OE1 2.99Å
290L81.8Confident80.1Confident9 Ų957 Ų575%0.04731%0.311CS..  trans-92.4-19.8-177.3-59.7-177.1000114L288 E391 E394 M395 P483L288-L290 HydrophobicContact CD2-CD2 3.73Å; L288-L290 HydrophobicContact CG-CD2 4.02Å; L290-E391 HydrophobicContact CB-CB 4.32Å; L290-E391 HydrophobicContact CB-CG 4.06Å; L290-E391 HydrophobicContact CD1-CB 4.03Å; L290-E394 HydrophobicContact CD2-CB 4.13Å; L290-E394 HydrophobicContact CD2-CG 3.81Å; L290-M395 HydrophobicContact CD1-CE 4.08Å; L290-P483 HydrophobicContact CD1-CB 4.21Å; L290-P483 HydrophobicContact CD1-CG 3.59Å; L290-P483 HydrophobicContact CD2-CB 4.35Å; L290-P483 HydrophobicContact CG-CB 4.31Å; L290-P483 HydrophobicContact CG-CG 4.12Å
291S66.4Low79.6Confident35 Ų3556.9 Ų56.925%0.24531%0.307CS..  trans-84135.6-167.359.60000112.1R293 Q298S291-R293 PolarHBondContact O-N 3.48Å; S291-R293 PolarHBondContact OG-O 3.02Å; S291-Q298 PolarHBondContact OG-NE2 3.15Å; S291-Q298 VanDerWaalsContact OG-NE2 3.15Å
292H57.8Low79Confident163 Ų16360.5 Ų60.576%0.75533%0.326SS*.SBendtrans-79.9-2.3168.9-65.953.9000112.5P294H292-P294 VanDerWaalsContact O-CD 3.27Å; H292-P294 WeakPolarHBondContact O-CD 3.25Å
293R54Low78.7Confident153 Ų15360.2 Ų60.258%0.57733%0.325SS*.  trans-101.598.8176.9-63.7-168.6-171.9-172.37.1109.9S291 D295 E387S291-R293 PolarHBondContact O-N 3.48Å; S291-R293 PolarHBondContact OG-O 3.02Å; R293-D295 PolarHBondContact O-N 3.16Å; R293-E387 IonicContact CZ-OE1 2.7Å; R293-E387 IonicContact CZ-OE2 2.66Å; R293-E387 IonicContact NE-OE1 2.73Å; R293-E387 IonicContact NH2-OE1 2.91Å; R293-E387 PolarHBondContact NH2-OE1 2.88Å; R293-E387 IonicContact NH2-OE2 3.94Å
294P54.5Low78.5Confident120 Ų12060.1 Ų60.178%0.77932%0.324SS*.THydrogen-bonded Turntrans-63.5-11.5-177.423.7-32.7000114.4H292H292-P294 VanDerWaalsContact O-CD 3.27Å; H292-P294 WeakPolarHBondContact O-CD 3.25Å
295D55.3Low78.4Confident152 Ų15259.9 Ų59.981%0.81332%0.323SS*.THydrogen-bonded Turntrans-92.1-11.9-169.9-56.1-38.6000114.9R293R293-D295 PolarHBondContact O-N 3.16Å
296K60Low78.3Confident135 Ų13559.9 Ų59.959%0.58732%0.323SS*.SBendtrans-104.1111.2178-161.9177.9-179.4-172.10109.9Q298 E477K296-Q298 PolarHBondContact O-N 3.36Å; K296-E477 IonicContact NZ-OE1 3.72Å; K296-E477 PolarHBondContact NZ-OE1 3.34Å
297P63.8Low78.3Confident122 Ų12258 Ų5879%0.79231%0.314SS*.  trans-64.5121.3176.524.3-30.9000110
298Q76.3Confident78.4Confident24 Ų2457.9 Ų57.911%0.11231%0.313CS..  trans-75.8124.5178.9-71.5-179.7-33.600110.2S289 S291 K296 W300 M301S289-Q298 PolarHBondContact OG-OE1 2.99Å; S291-Q298 PolarHBondContact OG-NE2 3.15Å; S291-Q298 VanDerWaalsContact OG-NE2 3.15Å; K296-Q298 PolarHBondContact O-N 3.36Å; Q298-W300 HydrophobicContact CB-CD2 3.99Å; Q298-W300 HydrophobicContact CB-CE3 4.06Å; Q298-W300 HydrophobicContact CB-CH2 3.86Å; Q298-W300 HydrophobicContact CB-CZ2 3.79Å; Q298-W300 HydrophobicContact CB-CZ3 3.96Å; Q298-W300 HydrophobicContact CG-CH2 3.61Å; Q298-W300 HydrophobicContact CG-CZ2 3.68Å; Q298-W300 HydrophobicContact CG-CZ3 4.11Å; Q298-W300 PolarHBondContact O-N 3.22Å; Q298-M301 HydrophobicContact CB-CG 3.79Å; Q298-M301 PolarHBondContact O-N 3.3Å; Q298-M301 VanDerWaalsContact O-N 3.16Å
299A75.1Confident78.6Confident66 Ų6656.6 Ų56.655%0.54531%0.307SS..G310 helixtrans-60.9-31.2-170.500000113.1N302A299-N302 VanDerWaalsContact O-CG 3.23Å; A299-N302 PolarHBondContact O-ND2 3Å; A299-N302 PolarHBondContact O-OD1 3.18Å
300W85.3Confident78.8Confident22 Ų2253.3 Ų53.38%0.08328%0.284CS..G310 helixtrans-80.3-10.7-177.963.289.3000114.5L288 Q298 N302 V303 L478 C482L288-W300 PolarHBondContact O-NE1 3.09Å; Q298-W300 HydrophobicContact CB-CD2 3.99Å; Q298-W300 HydrophobicContact CB-CE3 4.06Å; Q298-W300 HydrophobicContact CB-CH2 3.86Å; Q298-W300 HydrophobicContact CB-CZ2 3.79Å; Q298-W300 HydrophobicContact CB-CZ3 3.96Å; Q298-W300 HydrophobicContact CG-CH2 3.61Å; Q298-W300 HydrophobicContact CG-CZ2 3.68Å; Q298-W300 HydrophobicContact CG-CZ3 4.11Å; Q298-W300 PolarHBondContact O-N 3.22Å; W300-N302 PolarHBondContact O-N 3.47Å; W300-V303 HydrophobicContact CB-CG2 4.2Å; W300-V303 VanDerWaalsContact O-CB 3.23Å; W300-V303 WeakPolarHBondContact O-CB 3.45Å; W300-V303 VanDerWaalsContact O-CG2 3.25Å; W300-V303 WeakPolarHBondContact O-CG2 3.46Å; W300-V303 PolarHBondContact O-N 3.08Å; W300-L478 HydrophobicContact CD2-CD2 4.16Å; W300-L478 HydrophobicContact CE3-CB 4.12Å; W300-L478 HydrophobicContact CE3-CD2 4.04Å; W300-L478 HydrophobicContact CE3-CG 4.4Å; W300-L478 HydrophobicContact CH2-CB 4.09Å; W300-L478 HydrophobicContact CH2-CD2 3.92Å; W300-L478 HydrophobicContact CZ2-CD2 4.02Å; W300-L478 HydrophobicContact CZ3-CB 3.63Å; W300-L478 HydrophobicContact CZ3-CD2 3.96Å; W300-L478 HydrophobicContact CZ3-CG 4.3Å; W300-C482 HydrophobicContact CB-CB 4.09Å
301M86.4Confident79.2Confident36 Ų3655 Ų5518%0.17730%0.295CS..G310 helixtrans-64-17-179.9-68.8-60.2-61.700113.2P287 Q298 E331P287-M301 HydrophobicContact CB-CE 4.21Å; P287-M301 HydrophobicContact CB-SD 3.84Å; Q298-M301 HydrophobicContact CB-CG 3.79Å; Q298-M301 PolarHBondContact O-N 3.3Å; Q298-M301 VanDerWaalsContact O-N 3.16Å; M301-E331 VanDerWaalsContact CE-OE2 3.24Å; M301-E331 WeakPolarHBondContact CE-OE2 3.27Å
302N84.9Confident79.8Confident78 Ų7855.1 Ų55.142%0.41730%0.297SS..G310 helixtrans-89.2-3.6174.967.723.6000113.1A299 W300 D304 R354A299-N302 VanDerWaalsContact O-CG 3.23Å; A299-N302 PolarHBondContact O-ND2 3Å; A299-N302 PolarHBondContact O-OD1 3.18Å; W300-N302 PolarHBondContact O-N 3.47Å; N302-D304 PolarHBondContact O-N 3.01Å; N302-R354 WeakPolarHBondContact O-CD 3.5Å; N302-R354 PolarHBondContact O-NH1 2.85Å; N302-R354 WeakPolarHBondContact OD1-CD 3.36Å
303V91Very high80.1Confident2 Ų248.3 Ų48.31%0.01227%0.272CS..  trans-65.2133.9-179.3173.30000109.3W300 T350 R354 L355 C482W300-V303 HydrophobicContact CB-CG2 4.2Å; W300-V303 VanDerWaalsContact O-CB 3.23Å; W300-V303 WeakPolarHBondContact O-CB 3.45Å; W300-V303 VanDerWaalsContact O-CG2 3.25Å; W300-V303 WeakPolarHBondContact O-CG2 3.46Å; W300-V303 PolarHBondContact O-N 3.08Å; V303-T350 VanDerWaalsContact CG1-OG1 3.22Å; V303-T350 WeakPolarHBondContact CG1-OG1 3.5Å; V303-R354 HydrophobicContact CG2-CB 4.26Å; V303-L355 HydrophobicContact CG1-CB 4.49Å; V303-L355 HydrophobicContact CG2-CB 4.2Å; V303-C482 HydrophobicContact CB-CB 4.32Å; V303-C482 HydrophobicContact CG1-CB 4.17Å; V303-C482 HydrophobicContact CG2-CB 4.21Å
304D92.4Very high80.1Confident1 Ų150.7 Ų50.71%0.00529%0.289CS..  trans-74.4132.8175.572.1-61000110.1N302 Y333 T350 S351 L592N302-D304 PolarHBondContact O-N 3.01Å; D304-Y333 WeakPolarHBondContact CA-OH 3.32Å; D304-T350 VanDerWaalsContact O-CA 3.25Å; D304-T350 WeakPolarHBondContact O-CA 3.47Å; D304-T350 WeakPolarHBondContact O-CB 3.15Å; D304-T350 PolarHBondContact O-OG1 2.95Å; D304-T350 PolarHBondContact OD1-OG1 3.39Å; D304-S351 WeakPolarHBondContact OD1-CB 3.32Å; D304-S351 PolarHBondContact OD1-N 2.82Å; D304-S351 PolarHBondContact OD1-OG 3.12Å; D304-S351 WeakPolarHBondContact OD2-CB 3.34Å; D304-S351 PolarHBondContact OD2-N 2.97Å; D304-S351 VanDerWaalsContact OD2-N 3.14Å; D304-S351 PolarHBondContact OD2-OG 3.13Å; D304-L592 HydrophobicContact CB-CD1 3.98Å; D304-L592 HydrophobicContact CB-CD2 4.1Å; D304-L592 WeakPolarHBondContact OD1-CD1 3.37Å
305T94.2Very high80.2Confident0 Ų048.4 Ų48.40%027%0.273CS..  trans-124.5150.7178.564.80000109.9F258 P287 Y333 F349F258-T305 HydrophobicContact CD2-CG2 4.4Å; F258-T305 HydrophobicContact CE2-CG2 3.67Å; P287-T305 HydrophobicContact CG-CG2 4Å; T305-Y333 WeakPolarHBondContact O-CB 3.28Å; T305-Y333 WeakPolarHBondContact O-CD1 3.34Å; T305-Y333 WeakPolarHBondContact O-CD2 3.42Å; T305-Y333 WeakPolarHBondContact OG1-CD2 3.34Å; T305-Y333 WeakPolarHBondContact OG1-CE2 3.46Å; T305-F349 CarbonylContact C-O 3.56Å; T305-F349 WeakPolarHBondContact CA-O 3.42Å
306A95.1Very high80.1Confident0 Ų047.8 Ų47.80%026%0.263CS..EExtended strand (participates in β ladder)trans-153.3156.2171.300000109.4T325 P348 F349A306-T325 WeakPolarHBondContact CA-OG1 3.38Å; A306-P348 CarbonylContact O-C 3.56Å; A306-P348 WeakPolarHBondContact O-CA 3.29Å; A306-F349 HydrophobicContact CB-CB 4.4Å; A306-F349 HydrophobicContact CB-CD1 4.26Å; A306-F349 PolarHBondContact N-O 3.33Å; A306-F349 PolarHBondContact O-N 2.94Å
307V96.3Very high79.9Confident0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-119127.6168.7174.70000108.1L283 I285 V309 F324 T325 L346 I486L283-V307 HydrophobicContact CD2-CB 4.45Å; L283-V307 HydrophobicContact CD2-CG1 4.24Å; I285-V307 HydrophobicContact CB-CG2 3.77Å; I285-V307 HydrophobicContact CD1-CG2 3.53Å; I285-V307 HydrophobicContact CG1-CG2 4.16Å; I285-V307 HydrophobicContact CG2-CG2 3.92Å; V307-V309 HydrophobicContact CG1-CG2 4.47Å; V307-F324 WeakPolarHBondContact O-CA 3.45Å; V307-F324 WeakPolarHBondContact O-CB 3.33Å; V307-T325 HydrophobicContact CB-CG2 4.35Å; V307-T325 PolarHBondContact N-OG1 3.37Å; V307-T325 PolarHBondContact O-N 3.26Å; V307-T325 VanDerWaalsContact O-N 3.07Å; V307-L346 HydrophobicContact CG1-CB 3.76Å; V307-L346 HydrophobicContact CG1-CD2 4.1Å; V307-L346 HydrophobicContact CG1-CG 4.37Å; V307-I486 HydrophobicContact CG2-CD1 3.76Å; V307-I486 HydrophobicContact CG2-CG1 3.95Å; V307-I486 HydrophobicContact CG2-CG2 4.45Å
308F95.4Very high79.8Confident0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-94.9128.8167.4-65.5-92.2000109.5L321 F324 L347 F349 L509 A512 L513F308-L321 HydrophobicContact CB-CD1 4.17Å; F308-L321 HydrophobicContact CD1-CD1 3.87Å; F308-F324 HydrophobicContact CB-CB 4.46Å; F308-F324 HydrophobicContact CD1-CB 3.5Å; F308-F324 VanDerWaalsContact CD1-CB 3.5Å; F308-F324 HydrophobicContact CD1-CD1 4.29Å; F308-F324 AromaticContact CD1-CG 3.91Å; F308-F324 HydrophobicContact CD1-CG 3.91Å; F308-F324 HydrophobicContact CE1-CB 3.84Å; F308-F324 HydrophobicContact CE1-CD1 4.24Å; F308-F324 HydrophobicContact CE1-CD2 4.09Å; F308-F324 AromaticContact CE1-CG 3.8Å; F308-F324 HydrophobicContact CE1-CG 3.8Å; F308-F324 HydrophobicContact CG-CB 4.06Å; F308-L347 HydrophobicContact CB-CB 4.25Å; F308-L347 PolarHBondContact N-O 3.34Å; F308-L347 PolarHBondContact O-N 2.84Å; F308-F349 HydrophobicContact CD2-CB 3.86Å; F308-F349 HydrophobicContact CD2-CG 4.39Å; F308-F349 HydrophobicContact CE2-CB 3.58Å; F308-F349 HydrophobicContact CE2-CD1 4.03Å; F308-F349 HydrophobicContact CE2-CD2 4.21Å; F308-F349 AromaticContact CE2-CG 3.65Å; F308-F349 HydrophobicContact CE2-CG 3.65Å; F308-L509 HydrophobicContact CD2-CD1 3.83Å; F308-L509 HydrophobicContact CE2-CD1 4.29Å; F308-A512 HydrophobicContact CB-CB 3.92Å; F308-A512 HydrophobicContact CD1-CB 4.08Å; F308-A512 HydrophobicContact CG-CB 4.02Å; F308-L513 HydrophobicContact CE2-CD1 4.38Å; F308-L513 HydrophobicContact CZ-CD1 3.78Å
309V95.8Very high79.8Confident1 Ų147.8 Ų47.81%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-100.8119.8179.2-172.50000108.8L283 V307 V322 C323 Y344 L346L283-V309 HydrophobicContact CD2-CG2 3.56Å; V307-V309 HydrophobicContact CG1-CG2 4.47Å; V309-V322 HydrophobicContact CG1-CB 4.47Å; V309-V322 PolarHBondContact O-N 2.93Å; V309-C323 VanDerWaalsContact CB-SG 3.59Å; V309-C323 VanDerWaalsContact CG2-SG 3.57Å; V309-C323 PolarHBondContact N-O 2.91Å; V309-C323 PolarHBondContact O-N 3.31Å; V309-Y344 HydrophobicContact CG1-CD1 3.89Å; V309-Y344 HydrophobicContact CG1-CG 4.12Å; V309-L346 HydrophobicContact CB-CD2 4.32Å; V309-L346 HydrophobicContact CG1-CD2 4.04Å; V309-L346 HydrophobicContact CG2-CD2 3.81Å
310M93Very high80.4Confident1 Ų146.8 Ų46.81%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-118149.7178.3-68-162.743.800111.8S319 A320 Y344 R345 L347 L508 A512M310-S319 WeakPolarHBondContact CE-O 3.34Å; M310-A320 CarbonylContact C-O 3.57Å; M310-A320 WeakPolarHBondContact CA-O 3.43Å; M310-Y344 CarbonylContact O-C 3.55Å; M310-Y344 VanDerWaalsContact O-CA 3.23Å; M310-Y344 WeakPolarHBondContact O-CA 3.5Å; M310-R345 HydrophobicContact CB-CB 4.42Å; M310-R345 PolarHBondContact N-O 3.05Å; M310-R345 PolarHBondContact O-N 3.47Å; M310-L347 HydrophobicContact CG-CD1 3.95Å; M310-L347 HydrophobicContact SD-CD1 3.52Å; M310-L347 VanDerWaalsContact SD-CD1 3.52Å; M310-L508 HydrophobicContact CE-CD2 3.76Å; M310-L508 HydrophobicContact SD-CD2 4.3Å; M310-A512 HydrophobicContact CG-CB 4.37Å; M310-A512 HydrophobicContact SD-CB 3.68Å
311T90.5Very high80.7Confident45 Ų4547 Ų4728%0.27625%0.252SS..EExtended strand (participates in β ladder)trans-66.1136.1169.754.90000110.4G313 D318 S319 A320 V322T311-G313 PolarHBondContact O-N 3.12Å; T311-D318 PolarHBondContact OG1-O 2.86Å; T311-S319 WeakPolarHBondContact O-CB 3.43Å; T311-S319 PolarHBondContact O-OG 3.18Å; T311-A320 PolarHBondContact N-O 2.86Å; T311-A320 PolarHBondContact OG1-N 3.2Å; T311-V322 HydrophobicContact CG2-CG2 3.56Å
312A78.4Confident81.1Confident36 Ų3648.3 Ų48.330%0.29826%0.262SS..  trans-83.184170.200000109.2T343 R345A312-T343 HydrophobicContact CB-CG2 3.89Å; A312-T343 WeakPolarHBondContact CB-O 3.42Å; A312-T343 PolarHBondContact N-O 2.91Å; A312-R345 HydrophobicContact CB-CG 4.41Å
313G64.9Low81.5Confident21 Ų2145 Ų4522%0.21625%0.246CC..  trans-76.4160.7174.100000113.2T311 T315T311-G313 PolarHBondContact O-N 3.12Å; G313-T315 VanDerWaalsContact C-N 3.3Å; G313-T315 PolarHBondContact O-N 3.23Å
314E53.4Low81.7Confident202 Ų20245.5 Ų45.594%0.94425%0.247SC*.SBendtrans-66.3-30.6177.1-66.1-177.6173.500112.2
315T55.8Low81.7Confident73 Ų7345.5 Ų45.545%0.44825%0.248SC..SBendtrans-115.2158.3172.978.70000112.3G313 E317 D318G313-T315 VanDerWaalsContact C-N 3.3Å; G313-T315 PolarHBondContact O-N 3.23Å; T315-E317 PolarHBondContact O-N 2.97Å; T315-E317 VanDerWaalsContact O-N 3.16Å; T315-E317 PolarHBondContact OG1-N 3.39Å; T315-D318 PolarHBondContact O-N 3.35Å; T315-D318 PolarHBondContact OG1-OD2 3.08Å
316K53.9Low81.2Confident138 Ų13847.3 Ų47.360%0.626%0.256SS*.THydrogen-bonded Turntrans-62.9-16.8176.2-75.7-179177.21730113.4
317E55.3Low80.8Confident183 Ų18348 Ų4886%0.85526%0.26SS*.THydrogen-bonded Turntrans-88.4-23-178.9-63.5-171.6165.200112.6T315 S319T315-E317 PolarHBondContact O-N 2.97Å; T315-E317 VanDerWaalsContact O-N 3.16Å; T315-E317 PolarHBondContact OG1-N 3.39Å; E317-S319 VanDerWaalsContact C-N 3.32Å; E317-S319 PolarHBondContact O-N 3.43Å
318D61.9Low80.3Confident97 Ų9750.2 Ų50.252%0.51927%0.27SS..SBendtrans-83.3-6.8-178.7-61-40.9000113.7T311 T315 A320T311-D318 PolarHBondContact OG1-O 2.86Å; T315-D318 PolarHBondContact O-N 3.35Å; T315-D318 PolarHBondContact OG1-OD2 3.08Å; D318-A320 PolarHBondContact O-N 3.45Å
319S77.1Confident79.7Confident2 Ų253 Ų531%0.01429%0.285CS..  trans-75.3114.2-179.5-480000111.3M310 T311 E317 K515M310-S319 WeakPolarHBondContact CE-O 3.34Å; T311-S319 WeakPolarHBondContact O-CB 3.43Å; T311-S319 PolarHBondContact O-OG 3.18Å; E317-S319 VanDerWaalsContact C-N 3.32Å; E317-S319 PolarHBondContact O-N 3.43Å; S319-K515 PolarHBondContact O-NZ 3.27Å; S319-K515 VanDerWaalsContact O-NZ 3.11Å
320A87Confident79Confident45 Ų4561.5 Ų61.537%0.37232%0.322SS..  trans-106.1143.8179.200000110.9M310 T311 D318 V322M310-A320 CarbonylContact C-O 3.57Å; M310-A320 WeakPolarHBondContact CA-O 3.43Å; T311-A320 PolarHBondContact N-O 2.86Å; T311-A320 PolarHBondContact OG1-N 3.2Å; D318-A320 PolarHBondContact O-N 3.45Å; A320-V322 PolarHBondContact O-N 3.39Å
321L92.3Very high78.4Confident25 Ų2566.1 Ų66.113%0.13134%0.344CS..EExtended strand (participates in β ladder)trans-71.4123.4169.6175.567.8000108.3F308 C323 F324 A512 K515 L519F308-L321 HydrophobicContact CB-CD1 4.17Å; F308-L321 HydrophobicContact CD1-CD1 3.87Å; L321-C323 WeakPolarHBondContact CD1-O 3.22Å; L321-F324 HydrophobicContact CD2-CD1 4.35Å; L321-A512 HydrophobicContact CD1-CB 4.31Å; L321-K515 HydrophobicContact CB-CB 4.24Å; L321-K515 HydrophobicContact CB-CD 4.18Å; L321-K515 HydrophobicContact CD2-CB 3.98Å; L321-L519 HydrophobicContact CD2-CD1 3.82Å
322V94.1Very high78.3Confident64 Ų6467.8 Ų67.839%0.38835%0.347SS..EExtended strand (participates in β ladder)trans-95-57.3179.4-178.40000109.8V309 T311 A320 L339 Y344V309-V322 HydrophobicContact CG1-CB 4.47Å; V309-V322 PolarHBondContact O-N 2.93Å; T311-V322 HydrophobicContact CG2-CG2 3.56Å; A320-V322 PolarHBondContact O-N 3.39Å; V322-L339 HydrophobicContact CG1-CD2 3.69Å; V322-Y344 HydrophobicContact CG2-CD1 4.24Å; V322-Y344 HydrophobicContact CG2-CE1 4.14Å
323C94.1Very high79.1Confident10 Ų1066.3 Ų66.37%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-157.3175.1-179.360.20000111V309 L321 W335V309-C323 VanDerWaalsContact CB-SG 3.59Å; V309-C323 VanDerWaalsContact CG2-SG 3.57Å; V309-C323 PolarHBondContact N-O 2.91Å; V309-C323 PolarHBondContact O-N 3.31Å; L321-C323 WeakPolarHBondContact CD1-O 3.22Å; C323-W335 HydrophobicContact CB-CD2 3.94Å; C323-W335 HydrophobicContact CB-CG 4.29Å; C323-W335 HydrophobicContact CB-CH2 4.35Å; C323-W335 HydrophobicContact CB-CZ2 3.59Å; C323-W335 VanDerWaalsContact SG-CE2 3.51Å; C323-W335 VanDerWaalsContact SG-CZ2 3.55Å
324F94.4Very high80.5Confident12 Ų1265.4 Ų65.45%0.05332%0.324CS..EExtended strand (participates in β ladder)trans-155.7155.5173.459.7-82000110.8V307 F308 L321 E326 Y537V307-F324 WeakPolarHBondContact O-CA 3.45Å; V307-F324 WeakPolarHBondContact O-CB 3.33Å; F308-F324 HydrophobicContact CB-CB 4.46Å; F308-F324 HydrophobicContact CD1-CB 3.5Å; F308-F324 VanDerWaalsContact CD1-CB 3.5Å; F308-F324 HydrophobicContact CD1-CD1 4.29Å; F308-F324 AromaticContact CD1-CG 3.91Å; F308-F324 HydrophobicContact CD1-CG 3.91Å; F308-F324 HydrophobicContact CE1-CB 3.84Å; F308-F324 HydrophobicContact CE1-CD1 4.24Å; F308-F324 HydrophobicContact CE1-CD2 4.09Å; F308-F324 AromaticContact CE1-CG 3.8Å; F308-F324 HydrophobicContact CE1-CG 3.8Å; F308-F324 HydrophobicContact CG-CB 4.06Å; L321-F324 HydrophobicContact CD2-CD1 4.35Å; F324-E326 HydrophobicContact CD2-CB 3.87Å; F324-E326 HydrophobicContact CE2-CB 3.54Å; F324-E326 HydrophobicContact CZ-CB 4.34Å; F324-E326 WeakPolarHBondContact CZ-OE2 3.45Å; F324-E326 PolarHBondContact O-N 2.99Å; F324-E326 VanDerWaalsContact O-N 3.15Å; F324-Y537 HydrophobicContact CE2-CE2 4.36Å; F324-Y537 HydrophobicContact CZ-CE2 4.2Å
325T93.6Very high82.5Confident1 Ų157.7 Ų57.71%0.00629%0.286CS..  trans-74.2100.2177.657.90000110.4L283 I285 A306 V307 W335L283-T325 HydrophobicContact CD2-CG2 4.03Å; L283-T325 HydrophobicContact CG-CG2 3.97Å; I285-T325 HydrophobicContact CG2-CG2 4.38Å; A306-T325 WeakPolarHBondContact CA-OG1 3.38Å; V307-T325 HydrophobicContact CB-CG2 4.35Å; V307-T325 PolarHBondContact N-OG1 3.37Å; V307-T325 PolarHBondContact O-N 3.26Å; V307-T325 VanDerWaalsContact O-N 3.07Å; T325-W335 HydrophobicContact CG2-CB 4.03Å
326E83.4Confident84.3Confident38 Ų3859.1 Ų59.118%0.17829%0.286CS..  trans-109.9-27.3-172.266.6-178.1-169.700114.4F324 V334 R520 H541F324-E326 HydrophobicContact CD2-CB 3.87Å; F324-E326 HydrophobicContact CE2-CB 3.54Å; F324-E326 HydrophobicContact CZ-CB 4.34Å; F324-E326 WeakPolarHBondContact CZ-OE2 3.45Å; F324-E326 PolarHBondContact O-N 2.99Å; F324-E326 VanDerWaalsContact O-N 3.15Å; E326-V334 PolarHBondContact N-O 3.16Å; E326-R520 IonicContact OE1-CZ 2.76Å; E326-R520 IonicContact OE1-NH1 3.39Å; E326-R520 PolarHBondContact OE1-NH1 2.85Å; E326-R520 IonicContact OE1-NH2 3.66Å; E326-R520 PolarHBondContact OE1-NH2 3.36Å; E326-R520 IonicContact OE2-CZ 3.99Å; E326-R520 IonicContact OE2-NE 3.29Å; E326-R520 IonicContact OE2-NH1 2.72Å; E326-R520 PolarHBondContact OE2-NH1 3.33Å; E326-R520 IonicContact OE2-NH2 3.16Å; E326-R520 PolarHBondContact OE2-NH2 3.48Å; E326-H541 PolarHBondContact O-CE1 3.27Å
327S86.8Confident86.3Confident13 Ų1353.8 Ų53.89%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-85.9148.6177.7-64.40000109.4V240 Y333 V334V240-S327 WeakPolarHBondContact CG2-OG 3.41Å; S327-Y333 CarbonylContact O-C 3.5Å; S327-Y333 VanDerWaalsContact O-CA 3.32Å; S327-Y333 WeakPolarHBondContact O-CA 3.42Å; S327-V334 PolarHBondContact N-O 3.15Å; S327-V334 PolarHBondContact O-N 2.96Å
328K84.6Confident88.2Confident48 Ų4850.7 Ų50.721%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-119.5125.6178.1-174.2177.6-179.7174.80109.5K330 K332 Y333 H541 E596K328-K330 WeakPolarHBondContact CE-O 3.2Å; K328-K330 WeakPolarHBondContact CG-O 3.44Å; K328-K332 CarbonylContact C-O 3.53Å; K328-K332 WeakPolarHBondContact CA-O 3.16Å; K328-Y333 HydrophobicContact CB-CD1 4.2Å; K328-Y333 HydrophobicContact CB-CE1 4.17Å; K328-Y333 HydrophobicContact CD-CE1 3.77Å; K328-Y333 HydrophobicContact CG-CD1 4.28Å; K328-Y333 HydrophobicContact CG-CE1 3.96Å; K328-Y333 PolarHBondContact NZ-OH 2.92Å; K328-H541 HydrophobicContact CD-CB 3.99Å; K328-E596 IonicContact NZ-OE1 3.59Å; K328-E596 PolarHBondContact NZ-OE1 3.37Å; K328-E596 IonicContact NZ-OE2 2.62Å; K328-E596 PolarHBondContact NZ-OE2 3.49Å
329D83.6Confident89.9Confident58 Ų5846.4 Ų46.431%0.3123%0.233SC..EExtended strand (participates in β ladder)trans-118.8107.3167.2-174.733.5000109.6E331 K332 V334D329-E331 PolarHBondContact O-N 3.26Å; D329-E331 VanDerWaalsContact O-N 3.1Å; D329-K332 PolarHBondContact N-O 2.89Å; D329-K332 WeakPolarHBondContact O-CB 3.12Å; D329-K332 PolarHBondContact O-N 2.87Å; D329-V334 HydrophobicContact CB-CG2 4.46Å
330K81.5Confident90.8Very high180 Ų18051 Ų5178%0.78326%0.258SS*.THydrogen-bonded Turntrans53.7-112.2-170.2-56.8176.2-177.3173.50111.1K328K328-K330 WeakPolarHBondContact CE-O 3.2Å; K328-K330 WeakPolarHBondContact CG-O 3.44Å
331E80.1Confident91.2Very high98 Ų9851.7 Ų51.746%0.45826%0.263SS..THydrogen-bonded Turntrans-97-6179.3-65.5175.1173.200112.5M301 D329M301-E331 VanDerWaalsContact CE-OE2 3.24Å; M301-E331 WeakPolarHBondContact CE-OE2 3.27Å; D329-E331 PolarHBondContact O-N 3.26Å; D329-E331 VanDerWaalsContact O-N 3.1Å
332K88.9Confident91.3Very high80 Ų8051.7 Ų51.735%0.34827%0.269SS..EExtended strand (participates in β ladder)trans-91.3130.5-179.6-67.5-177.6179.3-169.30111.4Q286 K328 D329 V334Q286-K332 HydrophobicContact CB-CG 4.08Å; Q286-K332 HydrophobicContact CG-CG 4.38Å; K328-K332 CarbonylContact C-O 3.53Å; K328-K332 WeakPolarHBondContact CA-O 3.16Å; D329-K332 PolarHBondContact N-O 2.89Å; D329-K332 WeakPolarHBondContact O-CB 3.12Å; D329-K332 PolarHBondContact O-N 2.87Å; K332-V334 HydrophobicContact CB-CG2 4.13Å
333Y93.6Very high91.3Very high4 Ų451.3 Ų51.32%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-98.1128.2169-61.6-93.9000108.8T284 I285 D304 T305 S327 K328 H541T284-Y333 CarbonylContact C-O 3.57Å; T284-Y333 WeakPolarHBondContact CA-O 3.49Å; I285-Y333 PolarHBondContact N-O 3.17Å; I285-Y333 PolarHBondContact O-N 2.85Å; D304-Y333 WeakPolarHBondContact CA-OH 3.32Å; T305-Y333 WeakPolarHBondContact O-CB 3.28Å; T305-Y333 WeakPolarHBondContact O-CD1 3.34Å; T305-Y333 WeakPolarHBondContact O-CD2 3.42Å; T305-Y333 WeakPolarHBondContact OG1-CD2 3.34Å; T305-Y333 WeakPolarHBondContact OG1-CE2 3.46Å; S327-Y333 CarbonylContact O-C 3.5Å; S327-Y333 VanDerWaalsContact O-CA 3.32Å; S327-Y333 WeakPolarHBondContact O-CA 3.42Å; K328-Y333 HydrophobicContact CB-CD1 4.2Å; K328-Y333 HydrophobicContact CB-CE1 4.17Å; K328-Y333 HydrophobicContact CD-CE1 3.77Å; K328-Y333 HydrophobicContact CG-CD1 4.28Å; K328-Y333 HydrophobicContact CG-CE1 3.96Å; K328-Y333 PolarHBondContact NZ-OH 2.92Å; Y333-H541 AromaticContact CD1-CE1 3.5Å; Y333-H541 AromaticContact CD1-NE2 3.68Å; Y333-H541 AromaticContact CE1-CD2 3.47Å; Y333-H541 VanDerWaalsContact CE1-CD2 3.47Å; Y333-H541 WeakPolarHBondContact CE1-CD2 3.42Å; Y333-H541 AromaticContact CE1-CE1 3.46Å; Y333-H541 VanDerWaalsContact CE1-CE1 3.46Å; Y333-H541 WeakPolarHBondContact CE1-CE1 3.38Å; Y333-H541 AromaticContact CE1-CG 3.73Å; Y333-H541 AromaticContact CE1-ND1 3.72Å; Y333-H541 AromaticContact CE1-NE2 3.33Å; Y333-H541 VanDerWaalsContact CE1-NE2 3.33Å; Y333-H541 WeakPolarHBondContact CE1-NE2 3.33Å
334V94.7Very high91.3Very high2 Ų251.6 Ų51.61%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-127.8141.3-160.3-175.30000110.9V240 Y282 L283 T284 E326 S327 D329 K332V240-V334 HydrophobicContact CB-CG1 4.17Å; V240-V334 HydrophobicContact CG1-CG1 3.77Å; Y282-V334 HydrophobicContact CD2-CG1 4.08Å; Y282-V334 HydrophobicContact CE2-CG1 3.29Å; L283-V334 WeakPolarHBondContact O-CA 3.5Å; T284-V334 HydrophobicContact CG2-CB 4.47Å; T284-V334 HydrophobicContact CG2-CG1 4.22Å; T284-V334 HydrophobicContact CG2-CG2 3.99Å; E326-V334 PolarHBondContact N-O 3.16Å; S327-V334 PolarHBondContact N-O 3.15Å; S327-V334 PolarHBondContact O-N 2.96Å; D329-V334 HydrophobicContact CB-CG2 4.46Å; K332-V334 HydrophobicContact CB-CG2 4.13Å
335W95.2Very high91.3Very high41 Ų4153.1 Ų53.116%0.15527%0.272CS..EExtended strand (participates in β ladder)trans-132.8141.9162.4-179.281.2000110.1V281 L283 C323 T325 L339V281-W335 HydrophobicContact CB-CZ3 4.03Å; V281-W335 HydrophobicContact CG1-CZ3 4.23Å; L283-W335 HydrophobicContact CB-CB 4.48Å; L283-W335 HydrophobicContact CB-CE3 4.26Å; L283-W335 PolarHBondContact N-O 2.78Å; L283-W335 PolarHBondContact O-N 3.08Å; C323-W335 HydrophobicContact CB-CD2 3.94Å; C323-W335 HydrophobicContact CB-CG 4.29Å; C323-W335 HydrophobicContact CB-CH2 4.35Å; C323-W335 HydrophobicContact CB-CZ2 3.59Å; C323-W335 VanDerWaalsContact SG-CE2 3.51Å; C323-W335 VanDerWaalsContact SG-CZ2 3.55Å; T325-W335 HydrophobicContact CG2-CB 4.03Å; W335-L339 HydrophobicContact CH2-CD1 4.4Å; W335-L339 HydrophobicContact CH2-CD2 3.64Å; W335-L339 HydrophobicContact CH2-CG 3.8Å; W335-L339 HydrophobicContact CZ3-CD1 4.11Å; W335-L339 HydrophobicContact CZ3-CD2 4.16Å; W335-L339 HydrophobicContact CZ3-CG 3.94Å
336K95Very high91.4Very high102 Ų10253 Ų5344%0.44327%0.272SS..EExtended strand (participates in β ladder)trans-133.1133174.4-178.1-179.8175.3175.10109.1V240 P243 V281 Y282V240-K336 HydrophobicContact CG1-CB 3.58Å; V240-K336 HydrophobicContact CG1-CD 4.38Å; P243-K336 HydrophobicContact CG-CD 4.22Å; V281-K336 WeakPolarHBondContact O-CA 3.38Å; Y282-K336 HydrophobicContact CD2-CB 4.14Å; Y282-K336 HydrophobicContact CD2-CG 4.4Å
337G94.4Very high91.9Very high26 Ų2651.2 Ų51.227%0.26826%0.263SS..EExtended strand (participates in β ladder)trans178.3-170.4176.200000112.3V281V281-G337 PolarHBondContact N-O 3.2Å; V281-G337 PolarHBondContact O-N 3.11Å; V281-G337 VanDerWaalsContact O-N 3.08Å
338E96.7Very high92.3Very high119 Ų11950.9 Ų50.956%0.55626%0.261SS*.EExtended strand (participates in β ladder)trans-104.9133179.1-170-177.569.200109.3K278K278-E338 WeakPolarHBondContact CE-OE1 3.49Å; K278-E338 VanDerWaalsContact CE-OE2 3.24Å; K278-E338 WeakPolarHBondContact CE-OE2 3.48Å; K278-E338 HydrophobicContact CG-CG 4.31Å; K278-E338 IonicContact NZ-OE1 3.56Å; K278-E338 PolarHBondContact NZ-OE1 3.15Å; K278-E338 IonicContact NZ-OE2 3.58Å; K278-E338 PolarHBondContact NZ-OE2 3.36Å
339L96.4Very high92.8Very high6 Ų649.3 Ų49.33%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-119141.7175-66.2-175.8000110.1L275 K278 T279 V281 V322 W335 Y344L275-L339 HydrophobicContact CD1-CB 3.55Å; L275-L339 HydrophobicContact CD1-CD1 3.91Å; L275-L339 HydrophobicContact CD1-CG 4.36Å; K278-L339 VanDerWaalsContact CA-O 3.31Å; K278-L339 WeakPolarHBondContact CA-O 3.18Å; T279-L339 PolarHBondContact N-O 3.15Å; T279-L339 PolarHBondContact O-N 2.7Å; V281-L339 HydrophobicContact CB-CD1 4.29Å; V281-L339 HydrophobicContact CB-CG 4.39Å; V281-L339 HydrophobicContact CG1-CD1 4.34Å; V281-L339 HydrophobicContact CG2-CB 4.04Å; V281-L339 HydrophobicContact CG2-CD1 3.99Å; V281-L339 HydrophobicContact CG2-CG 4.04Å; V322-L339 HydrophobicContact CG1-CD2 3.69Å; W335-L339 HydrophobicContact CH2-CD1 4.4Å; W335-L339 HydrophobicContact CH2-CD2 3.64Å; W335-L339 HydrophobicContact CH2-CG 3.8Å; W335-L339 HydrophobicContact CZ3-CD1 4.11Å; W335-L339 HydrophobicContact CZ3-CD2 4.16Å; W335-L339 HydrophobicContact CZ3-CG 3.94Å; L339-Y344 HydrophobicContact CB-CE2 4.43Å; L339-Y344 HydrophobicContact CD2-CE1 4.47Å
340N95.9Very high93.3Very high100 Ų10046.9 Ų46.954%0.53524%0.241SC..  trans-73.9161.8174.6-68.5-42.2000111Y344N340-Y344 PolarHBondContact N-OH 2.88Å; N340-Y344 VanDerWaalsContact N-OH 3.16Å; N340-Y344 WeakPolarHBondContact O-CE2 3.34Å; N340-Y344 PolarHBondContact O-OH 2.92Å
341A95.8Very high93.7Very high58 Ų5838.7 Ų38.748%0.47921%0.207SC..SBendtrans-57.4141.6169.900000110.8L275L275-A341 WeakPolarHBondContact O-CA 3.42Å
342G94.1Very high94.2Very high26 Ų2634.4 Ų34.427%0.26819%0.189SC..EExtended strand (participates in β ladder)trans141.4-170.2178.200000113.6L275L275-G342 PolarHBondContact N-O 3Å; L275-G342 PolarHBondContact O-N 2.9Å
343T94Very high94.2Very high56 Ų5630.9 Ų30.934%0.34418%0.175SC..EExtended strand (participates in β ladder)trans-109134.3-179.3-56.40000110.3H272 L273 H274 A312H272-T343 HydrophobicContact CB-CG2 4.17Å; L273-T343 CarbonylContact O-C 3.57Å; L273-T343 WeakPolarHBondContact O-CA 3.45Å; H274-T343 PolarHBondContact ND1-OG1 2.89Å; A312-T343 HydrophobicContact CB-CG2 3.89Å; A312-T343 WeakPolarHBondContact CB-O 3.42Å; A312-T343 PolarHBondContact N-O 2.91Å
344Y94.9Very high93.9Very high16 Ų1633.4 Ų33.46%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-122148.7-179.9-59.5-90.4000110H272 L273 L275 V309 M310 V322 L339 N340H272-Y344 CarbonylContact C-O 3.58Å; H272-Y344 WeakPolarHBondContact CA-O 3.36Å; L273-Y344 PolarHBondContact N-O 3.32Å; L273-Y344 PolarHBondContact O-N 2.89Å; L275-Y344 HydrophobicContact CD1-CD2 4.22Å; L275-Y344 HydrophobicContact CD1-CE2 3.79Å; L275-Y344 HydrophobicContact CG-CD2 4.37Å; L275-Y344 HydrophobicContact CG-CE2 4.21Å; V309-Y344 HydrophobicContact CG1-CD1 3.89Å; V309-Y344 HydrophobicContact CG1-CG 4.12Å; M310-Y344 CarbonylContact O-C 3.55Å; M310-Y344 VanDerWaalsContact O-CA 3.23Å; M310-Y344 WeakPolarHBondContact O-CA 3.5Å; V322-Y344 HydrophobicContact CG2-CD1 4.24Å; V322-Y344 HydrophobicContact CG2-CE1 4.14Å; L339-Y344 HydrophobicContact CB-CE2 4.43Å; L339-Y344 HydrophobicContact CD2-CE1 4.47Å; N340-Y344 PolarHBondContact N-OH 2.88Å; N340-Y344 VanDerWaalsContact N-OH 3.16Å; N340-Y344 WeakPolarHBondContact O-CE2 3.34Å; N340-Y344 PolarHBondContact O-OH 2.92Å
345R93.6Very high93.6Very high43 Ų4333.7 Ų33.716%0.16219%0.185CC..EExtended strand (participates in β ladder)trans-97.5123.8168.2-71.8-178.5-172.7160.19.6109.4Y271 H272 M310 A312 L347Y271-R345 CarbonylContact O-C 3.58Å; Y271-R345 WeakPolarHBondContact O-CA 3.43Å; H272-R345 PolarHBondContact NE2-NE 2.88Å; M310-R345 HydrophobicContact CB-CB 4.42Å; M310-R345 PolarHBondContact N-O 3.05Å; M310-R345 PolarHBondContact O-N 3.47Å; A312-R345 HydrophobicContact CB-CG 4.41Å; R345-L347 HydrophobicContact CB-CD2 4.26Å
346L95.3Very high92.7Very high0 Ų036.3 Ų36.30%020%0.198CC..EExtended strand (participates in β ladder)trans-94.3122.5170.7-53-171.8000108.3Y271 L273 V307 V309 P348 I486 V488 M497Y271-L346 PolarHBondContact N-O 3.18Å; Y271-L346 VanDerWaalsContact N-O 3.09Å; Y271-L346 PolarHBondContact O-N 2.95Å; L273-L346 HydrophobicContact CB-CD1 4.07Å; L273-L346 HydrophobicContact CB-CD2 4.22Å; L273-L346 HydrophobicContact CB-CG 4.03Å; L273-L346 HydrophobicContact CD2-CD2 4.28Å; V307-L346 HydrophobicContact CG1-CB 3.76Å; V307-L346 HydrophobicContact CG1-CD2 4.1Å; V307-L346 HydrophobicContact CG1-CG 4.37Å; V309-L346 HydrophobicContact CB-CD2 4.32Å; V309-L346 HydrophobicContact CG1-CD2 4.04Å; V309-L346 HydrophobicContact CG2-CD2 3.81Å; L346-P348 WeakPolarHBondContact O-CD 3.24Å; L346-I486 HydrophobicContact CD1-CG2 4.23Å; L346-V488 HydrophobicContact CD1-CG2 4.46Å; L346-M497 HydrophobicContact CD1-SD 3.44Å; L346-M497 WeakPolarHBondContact CD1-SD 3.49Å
347L94.6Very high91.6Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-114.697.7-178.9-46.2177.7000108.2Q270 F308 M310 R345 L508 L509 A512Q270-L347 HydrophobicContact CB-CD2 4.35Å; Q270-L347 HydrophobicContact CG-CD2 4.01Å; F308-L347 HydrophobicContact CB-CB 4.25Å; F308-L347 PolarHBondContact N-O 3.34Å; F308-L347 PolarHBondContact O-N 2.84Å; M310-L347 HydrophobicContact CG-CD1 3.95Å; M310-L347 HydrophobicContact SD-CD1 3.52Å; M310-L347 VanDerWaalsContact SD-CD1 3.52Å; R345-L347 HydrophobicContact CB-CD2 4.26Å; L347-L508 HydrophobicContact CD1-CB 4.14Å; L347-L509 HydrophobicContact CB-CD1 3.98Å; L347-A512 HydrophobicContact CD1-CB 4.15Å
348P95.6Very high90.4Very high6 Ų636.9 Ų36.94%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-59.9145.4172.5-19.532.1000110.6F258 L269 Y271 I285 A306 L346 F484 I486F258-P348 HydrophobicContact CE1-CB 3.61Å; F258-P348 HydrophobicContact CZ-CB 3.63Å; L269-P348 WeakPolarHBondContact O-CD 3.43Å; L269-P348 VanDerWaalsContact O-CG 3.28Å; L269-P348 WeakPolarHBondContact O-CG 3.39Å; Y271-P348 HydrophobicContact CD2-CG 4.12Å; Y271-P348 HydrophobicContact CE2-CG 3.73Å; I285-P348 HydrophobicContact CD1-CB 4.39Å; A306-P348 CarbonylContact O-C 3.56Å; A306-P348 WeakPolarHBondContact O-CA 3.29Å; L346-P348 WeakPolarHBondContact O-CD 3.24Å; P348-F484 HydrophobicContact CB-CE1 4.11Å; P348-F484 HydrophobicContact CB-CE2 4.16Å; P348-F484 HydrophobicContact CB-CZ 3.63Å; P348-F484 HydrophobicContact CG-CE2 4.02Å; P348-F484 HydrophobicContact CG-CZ 3.66Å; P348-I486 HydrophobicContact CG-CD1 4.05Å
349F94.6Very high88.4Confident14 Ų1433.9 Ų33.96%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-144.5139.9-177.9174.8-93.8000110.3F258 T305 A306 F308 L509 L513 H590F258-F349 VanDerWaalsContact CZ-C 3.46Å; F258-F349 WeakPolarHBondContact CZ-O 3.37Å; T305-F349 CarbonylContact C-O 3.56Å; T305-F349 WeakPolarHBondContact CA-O 3.42Å; A306-F349 HydrophobicContact CB-CB 4.4Å; A306-F349 HydrophobicContact CB-CD1 4.26Å; A306-F349 PolarHBondContact N-O 3.33Å; A306-F349 PolarHBondContact O-N 2.94Å; F308-F349 HydrophobicContact CD2-CB 3.86Å; F308-F349 HydrophobicContact CD2-CG 4.39Å; F308-F349 HydrophobicContact CE2-CB 3.58Å; F308-F349 HydrophobicContact CE2-CD1 4.03Å; F308-F349 HydrophobicContact CE2-CD2 4.21Å; F308-F349 AromaticContact CE2-CG 3.65Å; F308-F349 HydrophobicContact CE2-CG 3.65Å; F349-L509 HydrophobicContact CB-CD1 4.01Å; F349-L509 HydrophobicContact CD2-CD1 4.05Å; F349-L509 HydrophobicContact CD2-CD2 4.17Å; F349-L509 HydrophobicContact CD2-CG 4.31Å; F349-L509 HydrophobicContact CG-CD1 4.46Å; F349-L513 HydrophobicContact CE2-CD1 4.27Å; F349-L513 HydrophobicContact CE2-CD2 3.72Å; F349-L513 HydrophobicContact CZ-CD1 4.2Å; F349-L513 HydrophobicContact CZ-CD2 4.16Å; F349-H590 AromaticContact CZ-CE1 3.72Å; F349-H590 AromaticContact CZ-NE2 3.74Å
350T93.6Very high86.4Confident7 Ų739.4 Ų39.44%0.04321%0.206CC..  trans-130.4151.3160.21750000108.7F258 I266 V303 D304 G352 L355F258-T350 HydrophobicContact CB-CG2 4.08Å; F258-T350 HydrophobicContact CD1-CG2 3.69Å; F258-T350 HydrophobicContact CD2-CG2 4.02Å; F258-T350 HydrophobicContact CE1-CG2 4.12Å; F258-T350 HydrophobicContact CE2-CG2 4.42Å; F258-T350 HydrophobicContact CG-CG2 3.65Å; F258-T350 HydrophobicContact CZ-CG2 4.47Å; I266-T350 HydrophobicContact CD1-CG2 3.64Å; I266-T350 HydrophobicContact CG2-CG2 3.74Å; V303-T350 VanDerWaalsContact CG1-OG1 3.22Å; V303-T350 WeakPolarHBondContact CG1-OG1 3.5Å; D304-T350 VanDerWaalsContact O-CA 3.25Å; D304-T350 WeakPolarHBondContact O-CA 3.47Å; D304-T350 WeakPolarHBondContact O-CB 3.15Å; D304-T350 PolarHBondContact O-OG1 2.95Å; D304-T350 PolarHBondContact OD1-OG1 3.39Å; T350-G352 PolarHBondContact O-N 3.35Å; T350-G352 PolarHBondContact OG1-N 2.84Å; T350-L355 HydrophobicContact CG2-CD2 4.45Å
351S91.3Very high83.9Confident8 Ų840.3 Ų40.36%0.05622%0.215CC..  trans-70.6-16.8177.173.50000114D304 C353 S570D304-S351 WeakPolarHBondContact OD1-CB 3.32Å; D304-S351 PolarHBondContact OD1-N 2.82Å; D304-S351 PolarHBondContact OD1-OG 3.12Å; D304-S351 WeakPolarHBondContact OD2-CB 3.34Å; D304-S351 PolarHBondContact OD2-N 2.97Å; D304-S351 VanDerWaalsContact OD2-N 3.14Å; D304-S351 PolarHBondContact OD2-OG 3.13Å; S351-C353 PolarHBondContact O-N 3.44Å; S351-C353 WeakPolarHBondContact OG-CB 3.48Å; S351-C353 PolarHBondContact OG-N 2.68Å; S351-C353 PolarHBondContact OG-SG 2.92Å; S351-S570 WeakPolarHBondContact O-CB 3.34Å
352G89.3Confident81.2Confident9 Ų941.9 Ų41.99%0.09322%0.216CC..SBendtrans69.46.9-172.600000114.7T350 R354 L355T350-G352 PolarHBondContact O-N 3.35Å; T350-G352 PolarHBondContact OG1-N 2.84Å; G352-R354 PolarHBondContact O-N 3.41Å; G352-L355 VanDerWaalsContact O-O 3.06Å
353C88.8Confident78.9Confident6 Ų645.5 Ų45.54%0.04122%0.224CC..SBendtrans-64.1-32.3178.9-66.30000112.5S351 K356 S570 H590 L592S351-C353 PolarHBondContact O-N 3.44Å; S351-C353 WeakPolarHBondContact OG-CB 3.48Å; S351-C353 PolarHBondContact OG-N 2.68Å; S351-C353 PolarHBondContact OG-SG 2.92Å; C353-K356 WeakPolarHBondContact O-CE 3.38Å; C353-S570 PolarHBondContact SG-N 3.13Å; C353-H590 PolarHBondContact SG-O 3.11Å; C353-L592 HydrophobicContact CB-CD1 3.57Å; C353-L592 HydrophobicContact CB-CG 4.04Å
354R87.9Confident76.7Confident56 Ų5646.6 Ų46.621%0.21123%0.234CC..SBendtrans-113.74.4-177.1-66.1176.5177.71692113.3N302 V303 G352 L592 P593 E596N302-R354 WeakPolarHBondContact O-CD 3.5Å; N302-R354 PolarHBondContact O-NH1 2.85Å; N302-R354 WeakPolarHBondContact OD1-CD 3.36Å; V303-R354 HydrophobicContact CG2-CB 4.26Å; G352-R354 PolarHBondContact O-N 3.41Å; R354-L592 HydrophobicContact CG-CD1 4.44Å; R354-P593 PolarHBondContact NH2-O 2.99Å; R354-E596 IonicContact CZ-OE1 3.24Å; R354-E596 IonicContact NH1-OE1 3.59Å; R354-E596 PolarHBondContact NH1-OE1 3.34Å; R354-E596 IonicContact NH2-OE1 2.94Å; R354-E596 PolarHBondContact NH2-OE1 2.92Å
355L87.5Confident74.5Confident8 Ų854.3 Ų54.34%0.04228%0.276CS..  trans-129.9106.2178.8-175.666.2000108F258 V260 I266 V303 T350 G352 C482F258-L355 HydrophobicContact CB-CD2 3.8Å; V260-L355 HydrophobicContact CG2-CD1 4.12Å; V260-L355 HydrophobicContact CG2-CD2 4.15Å; V260-L355 HydrophobicContact CG2-CG 3.6Å; I266-L355 HydrophobicContact CD1-CD2 4.45Å; V303-L355 HydrophobicContact CG1-CB 4.49Å; V303-L355 HydrophobicContact CG2-CB 4.2Å; T350-L355 HydrophobicContact CG2-CD2 4.45Å; G352-L355 VanDerWaalsContact O-O 3.06Å; L355-C482 HydrophobicContact CD1-CB 4.38Å; L355-C482 HydrophobicContact CD2-CB 3.99Å
356K76.8Confident72.8Confident97 Ų9759.4 Ų59.442%0.42230%0.3SS..  trans-141.3152.6-170.8-65.1-177.9-177.8174.50110.8C353C353-K356 WeakPolarHBondContact O-CE 3.38Å
357K72.4Confident71.8Confident50 Ų5062.3 Ų62.322%0.21732%0.32CS..PPolyproline II helixtrans-67.4134.5174.9-154.3177.7-168.1-173.90110.2V260 D262 E480V260-K357 HydrophobicContact CG1-CB 3.87Å; V260-K357 HydrophobicContact CG1-CG 4.39Å; D262-K357 VanDerWaalsContact CA-NZ 3.27Å; D262-K357 PolarHBondContact O-NZ 2.94Å; D262-K357 VanDerWaalsContact O-NZ 3.12Å; D262-K357 IonicContact OD1-NZ 3.57Å; D262-K357 PolarHBondContact OD1-NZ 2.97Å; K357-E480 WeakPolarHBondContact CA-OE1 3.47Å; K357-E480 VanDerWaalsContact CG-OE1 3.22Å; K357-E480 WeakPolarHBondContact CG-OE1 3.39Å
358Q68.2Low71.4Confident90 Ų9064.2 Ų64.242%0.42133%0.331SS..PPolyproline II helixtrans-82.8141.1173.5-67-165.3-7.800110.4K360 V479 E480Q358-K360 PolarHBondContact O-N 3.05Å; Q358-V479 HydrophobicContact CG-CG2 4.13Å; Q358-E480 PolarHBondContact N-OE1 3.15Å
359N56Low71.1Confident55 Ų5572 Ų7229%0.29437%0.365SS..PPolyproline II helixtrans-70117.5175.3-85.3-30.1000110.4D13 T361 N362D13-N359 PolarHBondContact OD1-ND2 3.36Å; N359-T361 PolarHBondContact O-N 2.78Å; N359-N362 PolarHBondContact O-N 3.17Å
360K53.6Low70.8Confident123 Ų12371.6 Ų71.654%0.53536%0.363SS..THydrogen-bonded Turntrans-60.6-1.1179.1-63.4-162.7178.8-153.90114.7Q358 F363 E468Q358-K360 PolarHBondContact O-N 3.05Å; K360-F363 HydrophobicContact CB-CE2 4.18Å; K360-F363 HydrophobicContact CG-CE2 4.48Å; K360-F363 VanDerWaalsContact O-CD2 3.26Å; K360-F363 WeakPolarHBondContact O-CD2 3.42Å; K360-E468 IonicContact NZ-OE2 3.25Å; K360-E468 PolarHBondContact NZ-OE2 3.32Å
361T43Very low70.7Confident119 Ų11972.5 Ų72.573%0.7337%0.367SS*.THydrogen-bonded Turntrans-88.6-5.3-17652.40000114.7N359N359-T361 PolarHBondContact O-N 2.78Å
362N40.8Very low70.6Confident91 Ų9177.1 Ų77.149%0.48738%0.384SS..  trans-102.212.2-174.9-83.60000115D12 N359 S364D12-N362 WeakPolarHBondContact CB-ND2 3.38Å; D12-N362 PolarHBondContact OD2-ND2 3.42Å; N359-N362 PolarHBondContact O-N 3.17Å; N362-S364 PolarHBondContact O-N 3.05Å
363F45.7Very low70.6Confident101 Ų10184.1 Ų84.144%0.44341%0.412SS..  trans-70.9100175.7-64.6-68.8000110.1K360 H474K360-F363 HydrophobicContact CB-CE2 4.18Å; K360-F363 HydrophobicContact CG-CE2 4.48Å; K360-F363 VanDerWaalsContact O-CD2 3.26Å; K360-F363 WeakPolarHBondContact O-CD2 3.42Å; F363-H474 HydrophobicContact CD1-CB 4.18Å; F363-H474 HydrophobicContact CE1-CB 3.89Å; F363-H474 AromaticContact CE1-CG 3.97Å
364S46.8Very low70.6Confident79 Ų7985.5 Ų85.555%0.55242%0.421SS*.  trans-55.5148.7148.673.90000108.1N362 K366N362-S364 PolarHBondContact O-N 3.05Å; S364-K366 PolarHBondContact O-N 3.14Å
365D48Very low70.7Confident178 Ų17891.5 Ų91.595%0.95246%0.457SS*.SBendtrans-58.727-177.7-128.4-0.7000116
366K58.9Low70.7Confident150 Ų15096.3 Ų96.365%0.65249%0.487SS*.  trans-110.453.8-174.4-65.3-174.7178-179.10111.6S364S364-K366 PolarHBondContact O-N 3.14Å
367S74.5Confident70.9Confident62 Ų6294.2 Ų94.243%0.43449%0.492SS..PPolyproline II helixtrans-68.1135.5165176.70000109.5W464S367-W464 VanDerWaalsContact OG-CZ2 3.27Å; S367-W464 WeakPolarHBondContact OG-CZ2 3.49Å
368V86.5Confident71.6Confident39 Ų3998.4 Ų98.424%0.23651%0.513CS..PPolyproline II helixtrans-69.2140.4175.4176.10000109.3L370 W464 H474 M475 L476V368-L370 PolarHBondContact O-N 2.71Å; V368-W464 WeakPolarHBondContact O-CZ2 3.42Å; V368-H474 PolarHBondContact N-O 3.37Å; V368-M475 HydrophobicContact CG2-CE 4.41Å; V368-M475 HydrophobicContact CG2-SD 4.49Å; V368-L476 HydrophobicContact CB-CD1 4.44Å; V368-L476 HydrophobicContact CB-CG 4.44Å; V368-L476 HydrophobicContact CG1-CD1 3.95Å; V368-L476 HydrophobicContact CG1-CG 4.47Å
369K87.8Confident72.6Confident171 Ų17196.1 Ų96.174%0.74350%0.503SS*.PPolyproline II helixtrans-72.4126.6172.5-72.1-172.7176.3-176.20109.6T382K369-T382 VanDerWaalsContact O-CG2 3.27Å; K369-T382 WeakPolarHBondContact O-CG2 3.35Å; K369-T382 PolarHBondContact O-OG1 3.06Å
370L89.4Confident74.2Confident5 Ų595 Ų953%0.02650%0.497CS..  trans-80.1-37.5179.8-67.3-165000112.7V368 T382 L385 P460 L463 W464 L467 L476V368-L370 PolarHBondContact O-N 2.71Å; L370-T382 WeakPolarHBondContact O-CB 3.46Å; L370-T382 WeakPolarHBondContact O-CG2 3.42Å; L370-T382 PolarHBondContact O-N 3.07Å; L370-T382 PolarHBondContact O-OG1 3.24Å; L370-L385 HydrophobicContact CB-CD2 3.88Å; L370-L385 HydrophobicContact CD2-CD1 4.35Å; L370-L385 HydrophobicContact CD2-CD2 4.35Å; L370-L385 HydrophobicContact CG-CD2 4.49Å; L370-P460 HydrophobicContact CB-CB 4.35Å; L370-P460 HydrophobicContact CD1-CB 3.97Å; L370-P460 HydrophobicContact CG-CB 4.4Å; L370-L463 HydrophobicContact CD1-CB 3.77Å; L370-L463 HydrophobicContact CD1-CD1 4.09Å; L370-W464 HydrophobicContact CD1-CD2 3.88Å; L370-W464 HydrophobicContact CD1-CE3 4.46Å; L370-W464 HydrophobicContact CD1-CG 4.13Å; L370-W464 HydrophobicContact CD1-CZ2 4.02Å; L370-W464 HydrophobicContact CD2-CH2 3.67Å; L370-W464 HydrophobicContact CD2-CZ2 3.56Å; L370-W464 HydrophobicContact CD2-CZ3 4.28Å; L370-W464 HydrophobicContact CG-CD2 4.46Å; L370-W464 HydrophobicContact CG-CH2 4.28Å; L370-W464 HydrophobicContact CG-CZ2 3.67Å; L370-L467 HydrophobicContact CD1-CD1 3.85Å; L370-L467 HydrophobicContact CD2-CD1 3.92Å; L370-L476 HydrophobicContact CD2-CD1 4.41Å; L370-L476 HydrophobicContact CD2-CD2 3.96Å
371I90.8Very high76.1Confident25 Ų2589.2 Ų89.213%0.12847%0.472CS..EExtended strand (participates in β ladder)trans-126.1157.7-175.965.3178.4000111.6L379 D380 L381 A453 G458I371-L379 HydrophobicContact CD1-CD1 4.34Å; I371-L379 HydrophobicContact CD1-CD2 4.03Å; I371-D380 CarbonylContact C-O 3.43Å; I371-D380 WeakPolarHBondContact CA-O 3.38Å; I371-D380 WeakPolarHBondContact CB-O 3.46Å; I371-L381 HydrophobicContact CG2-CD2 4.05Å; I371-A453 HydrophobicContact CG2-CB 3.93Å; I371-G458 WeakPolarHBondContact CD1-O 3.39Å
372Y90.1Very high78.5Confident105 Ų10584.3 Ų84.341%0.41244%0.442SS..EExtended strand (participates in β ladder)trans-135.3159.9172.570.3-84000111.1T374 L379 D380 L381 T382Y372-T374 HydrophobicContact CD2-CG2 4.47Å; Y372-T374 HydrophobicContact CE2-CG2 3.77Å; Y372-L379 WeakPolarHBondContact O-CA 3.47Å; Y372-D380 WeakPolarHBondContact CD1-O 3.22Å; Y372-D380 HydrophobicContact CE1-CB 3.99Å; Y372-D380 HydrophobicContact CE2-CB 4.37Å; Y372-D380 PolarHBondContact N-O 3.43Å; Y372-D380 PolarHBondContact O-N 3.45Å; Y372-D380 PolarHBondContact OH-OD2 3.1Å; Y372-L381 WeakPolarHBondContact CE1-O 3.44Å; Y372-T382 HydrophobicContact CD1-CG2 4.01Å
373K89.5Confident80.9Confident156 Ų15683.6 Ų83.668%0.67844%0.444SS*.EExtended strand (participates in β ladder)trans-91.1125169.6-73.6-175.6179.4-1730109E378 L379K373-E378 WeakPolarHBondContact CA-O 3.27Å; K373-L379 HydrophobicContact CD-CD2 4.41Å; K373-L379 HydrophobicContact CG-CD2 3.52Å; K373-L379 HydrophobicContact CG-CG 4.44Å
374T88.6Confident83Confident35 Ų3583.3 Ų83.322%0.21544%0.444CS..  trans-69.8168.4173.660.40000111.1Y372 T376 G377 E378 D380Y372-T374 HydrophobicContact CD2-CG2 4.47Å; Y372-T374 HydrophobicContact CE2-CG2 3.77Å; T374-T376 PolarHBondContact O-N 2.89Å; T374-T376 VanDerWaalsContact O-N 3.16Å; T374-T376 PolarHBondContact OG1-OG1 3.42Å; T374-G377 PolarHBondContact O-N 2.8Å; T374-E378 PolarHBondContact N-O 3.37Å; T374-E378 PolarHBondContact OG1-N 3.11Å; T374-E378 PolarHBondContact OG1-O 2.91Å; T374-D380 HydrophobicContact CG2-CB 3.82Å
375D88.9Confident85.2Confident183 Ų18379.6 Ų79.698%0.97942%0.418SS*.THydrogen-bonded Turntrans-61.3-21.7176.6-63.5-28.2000112.9G377D375-G377 VanDerWaalsContact C-N 3.33Å
376T87.7Confident87.4Confident109 Ų10974.7 Ų74.767%0.66939%0.386SS*.THydrogen-bonded Turntrans-84.8-6.5176.256.60000113T374T374-T376 PolarHBondContact O-N 2.89Å; T374-T376 VanDerWaalsContact O-N 3.16Å; T374-T376 PolarHBondContact OG1-OG1 3.42Å
377G82.7Confident89Confident52 Ų5272 Ų7254%0.53638%0.376SS..SBendtrans88.7-1.9-178.100000114.6T374 D375T374-G377 PolarHBondContact O-N 2.8Å; D375-G377 VanDerWaalsContact C-N 3.33Å
378E86.7Confident89.8Confident139 Ų13969.4 Ų69.465%0.6536%0.357SS*.  trans-78.2147.4175.9-64.4176.1168.300110.9K373 T374K373-E378 WeakPolarHBondContact CA-O 3.27Å; T374-E378 PolarHBondContact N-O 3.37Å; T374-E378 PolarHBondContact OG1-N 3.11Å; T374-E378 PolarHBondContact OG1-O 2.91Å
379L88.9Confident90.2Very high42 Ų4267.6 Ų67.622%0.2235%0.346CS..EExtended strand (participates in β ladder)trans-83.5138.9175.3-72.6171.5000110.4I371 Y372 K373 T454I371-L379 HydrophobicContact CD1-CD1 4.34Å; I371-L379 HydrophobicContact CD1-CD2 4.03Å; Y372-L379 WeakPolarHBondContact O-CA 3.47Å; K373-L379 HydrophobicContact CD-CD2 4.41Å; K373-L379 HydrophobicContact CG-CD2 3.52Å; K373-L379 HydrophobicContact CG-CG 4.44Å; L379-T454 HydrophobicContact CB-CG2 3.77Å
380D90.4Very high90.5Very high32 Ų3260.9 Ų60.917%0.17132%0.321CS..EExtended strand (participates in β ladder)trans-142.5156.2178.6-162.65.2000111.9I371 Y372 T374 R386I371-D380 CarbonylContact C-O 3.43Å; I371-D380 WeakPolarHBondContact CA-O 3.38Å; I371-D380 WeakPolarHBondContact CB-O 3.46Å; Y372-D380 WeakPolarHBondContact CD1-O 3.22Å; Y372-D380 HydrophobicContact CE1-CB 3.99Å; Y372-D380 HydrophobicContact CE2-CB 4.37Å; Y372-D380 PolarHBondContact N-O 3.43Å; Y372-D380 PolarHBondContact O-N 3.45Å; Y372-D380 PolarHBondContact OH-OD2 3.1Å; T374-D380 HydrophobicContact CG2-CB 3.82Å; D380-R386 IonicContact OD1-CZ 3.49Å; D380-R386 IonicContact OD1-NH2 2.78Å; D380-R386 PolarHBondContact OD1-NH2 3.12Å; D380-R386 IonicContact OD2-NH2 3.59Å; D380-R386 PolarHBondContact OD2-NH2 3.24Å
381L91.8Very high90.7Very high1 Ų162.5 Ų62.51%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-74.1134.2177.8-54-175.2000110.8I371 Y372 L385 R386 L389 L450 A453I371-L381 HydrophobicContact CG2-CD2 4.05Å; Y372-L381 WeakPolarHBondContact CE1-O 3.44Å; L381-L385 HydrophobicContact CB-CD2 4.45Å; L381-L385 HydrophobicContact CD2-CD2 3.83Å; L381-R386 HydrophobicContact CB-CG 3.87Å; L381-R386 HydrophobicContact CD1-CG 4.35Å; L381-R386 PolarHBondContact O-NE 2.87Å; L381-L389 HydrophobicContact CD1-CD1 3.63Å; L381-L450 HydrophobicContact CD1-CB 4.11Å; L381-L450 HydrophobicContact CD2-CB 4.38Å; L381-L450 HydrophobicContact CD2-CD1 3.92Å; L381-L450 HydrophobicContact CG-CB 4.08Å; L381-L450 HydrophobicContact CG-CD1 3.8Å; L381-L450 HydrophobicContact CG-CG 4.48Å; L381-A453 HydrophobicContact CD2-CB 3.58Å
382T93.1Very high90.9Very high15 Ų1561.3 Ų61.39%0.09232%0.322CS..  trans-60155.8171.455.70000112.4K369 L370 Y372 E384 L385 R386K369-T382 VanDerWaalsContact O-CG2 3.27Å; K369-T382 WeakPolarHBondContact O-CG2 3.35Å; K369-T382 PolarHBondContact O-OG1 3.06Å; L370-T382 WeakPolarHBondContact O-CB 3.46Å; L370-T382 WeakPolarHBondContact O-CG2 3.42Å; L370-T382 PolarHBondContact O-N 3.07Å; L370-T382 PolarHBondContact O-OG1 3.24Å; Y372-T382 HydrophobicContact CD1-CG2 4.01Å; T382-E384 PolarHBondContact O-N 3.43Å; T382-L385 PolarHBondContact O-N 2.79Å; T382-L385 WeakPolarHBondContact OG1-CB 3.09Å; T382-L385 PolarHBondContact OG1-N 2.71Å; T382-R386 WeakPolarHBondContact O-CG 3.11Å; T382-R386 PolarHBondContact O-N 2.96Å
383S91.7Very high91.2Very high76 Ų7656.3 Ų56.353%0.53130%0.303SS..Hα-helixtrans-58.8-36.3177.551.30000112.6R386 E387S383-R386 PolarHBondContact O-N 3.33Å; S383-E387 PolarHBondContact O-N 2.91Å
384E91.3Very high91.4Very high96 Ų9651.1 Ų51.145%0.44928%0.281SS..Hα-helixtrans-67.4-44.7-179.9-64.382.8166.800110.9T382 E387 V388 L476T382-E384 PolarHBondContact O-N 3.43Å; E384-E387 PolarHBondContact O-N 2.9Å; E384-V388 PolarHBondContact O-N 3.47Å; E384-V388 VanDerWaalsContact O-N 3.08Å; E384-L476 HydrophobicContact CB-CD1 3.75Å
385L92.1Very high91.6Very high0 Ų049.7 Ų49.70%027%0.272CS..Hα-helixtrans-65.8-38.2175.1178.856.9000111.7L370 L381 T382 E387 V388 L389 L463 L467L370-L385 HydrophobicContact CB-CD2 3.88Å; L370-L385 HydrophobicContact CD2-CD1 4.35Å; L370-L385 HydrophobicContact CD2-CD2 4.35Å; L370-L385 HydrophobicContact CG-CD2 4.49Å; L381-L385 HydrophobicContact CB-CD2 4.45Å; L381-L385 HydrophobicContact CD2-CD2 3.83Å; T382-L385 PolarHBondContact O-N 2.79Å; T382-L385 WeakPolarHBondContact OG1-CB 3.09Å; T382-L385 PolarHBondContact OG1-N 2.71Å; L385-E387 VanDerWaalsContact C-N 3.31Å; L385-E387 PolarHBondContact O-N 3.28Å; L385-V388 PolarHBondContact O-N 2.86Å; L385-L389 HydrophobicContact CD1-CD1 4.27Å; L385-L389 HydrophobicContact CD1-CD2 4.49Å; L385-L389 HydrophobicContact CD1-CG 3.98Å; L385-L389 HydrophobicContact CG-CD1 4.04Å; L385-L389 HydrophobicContact CG-CG 4.24Å; L385-L389 WeakPolarHBondContact O-CB 3.48Å; L385-L389 WeakPolarHBondContact O-CG 3.43Å; L385-L389 PolarHBondContact O-N 3.13Å; L385-L463 HydrophobicContact CD2-CD1 4.17Å; L385-L467 HydrophobicContact CD1-CD1 4.04Å; L385-L467 HydrophobicContact CD1-CD2 4.11Å
386R93.7Very high91.8Very high76 Ų7641.6 Ų41.629%0.28723%0.229SC..Hα-helixtrans-63-36.5175.5-69.5172.3176.4-807.5112.5D380 L381 T382 S383 S390 M446D380-R386 IonicContact OD1-CZ 3.49Å; D380-R386 IonicContact OD1-NH2 2.78Å; D380-R386 PolarHBondContact OD1-NH2 3.12Å; D380-R386 IonicContact OD2-NH2 3.59Å; D380-R386 PolarHBondContact OD2-NH2 3.24Å; L381-R386 HydrophobicContact CB-CG 3.87Å; L381-R386 HydrophobicContact CD1-CG 4.35Å; L381-R386 PolarHBondContact O-NE 2.87Å; T382-R386 WeakPolarHBondContact O-CG 3.11Å; T382-R386 PolarHBondContact O-N 2.96Å; S383-R386 PolarHBondContact O-N 3.33Å; R386-S390 WeakPolarHBondContact O-CB 3.39Å; R386-S390 PolarHBondContact O-N 3.5Å; R386-S390 VanDerWaalsContact O-N 3.1Å; R386-S390 PolarHBondContact O-OG 3.33Å; R386-M446 WeakPolarHBondContact O-CE 3.35Å
387E92.3Very high92.2Very high93 Ų9336.5 Ų36.544%0.43520%0.197SC..Hα-helixtrans-63.3-48171.9-74-175.1171.400110.6R293 S383 E384 L385 S390 E391R293-E387 IonicContact CZ-OE1 2.7Å; R293-E387 IonicContact CZ-OE2 2.66Å; R293-E387 IonicContact NE-OE1 2.73Å; R293-E387 IonicContact NH2-OE1 2.91Å; R293-E387 PolarHBondContact NH2-OE1 2.88Å; R293-E387 IonicContact NH2-OE2 3.94Å; S383-E387 PolarHBondContact O-N 2.91Å; E384-E387 PolarHBondContact O-N 2.9Å; L385-E387 VanDerWaalsContact C-N 3.31Å; L385-E387 PolarHBondContact O-N 3.28Å; E387-S390 VanDerWaalsContact O-CB 3.31Å; E387-S390 WeakPolarHBondContact O-CB 3.46Å; E387-S390 PolarHBondContact O-N 3.39Å; E387-S390 VanDerWaalsContact O-N 3.11Å; E387-E391 PolarHBondContact O-N 3.25Å
388V93.1Very high92.8Very high7 Ų734.4 Ų34.44%0.04217%0.174CC..Hα-helixtrans-62.3-45.1178.1167.70000113E384 L385 S390 E391 I392 L467 Y472 L476E384-V388 PolarHBondContact O-N 3.47Å; E384-V388 VanDerWaalsContact O-N 3.08Å; L385-V388 PolarHBondContact O-N 2.86Å; V388-S390 PolarHBondContact O-N 2.89Å; V388-E391 WeakPolarHBondContact O-CB 3.44Å; V388-E391 PolarHBondContact O-N 2.95Å; V388-E391 VanDerWaalsContact O-N 3.1Å; V388-I392 HydrophobicContact CG1-CD1 3.96Å; V388-I392 HydrophobicContact CG1-CG1 4.49Å; V388-I392 WeakPolarHBondContact O-CG1 3.44Å; V388-I392 PolarHBondContact O-N 3.46Å; V388-L467 HydrophobicContact CG1-CD2 3.53Å; V388-Y472 HydrophobicContact CB-CE1 4.23Å; V388-Y472 HydrophobicContact CG1-CD1 3.8Å; V388-Y472 HydrophobicContact CG1-CD2 4.03Å; V388-Y472 HydrophobicContact CG1-CE1 3.6Å; V388-Y472 HydrophobicContact CG1-CE2 3.85Å; V388-Y472 HydrophobicContact CG1-CG 4.01Å; V388-Y472 HydrophobicContact CG2-CD1 4.08Å; V388-Y472 HydrophobicContact CG2-CE1 3.81Å; V388-L476 HydrophobicContact CG2-CB 3.85Å; V388-L476 HydrophobicContact CG2-CD1 4.36Å; V388-L476 HydrophobicContact CG2-CD2 4.18Å; V388-L476 HydrophobicContact CG2-CG 4.35Å
389L94.4Very high93.1Very high1 Ų130.9 Ų30.91%0.00516%0.159CC..Hα-helixtrans-62.6-30175.7-70.5174.3000111.7L381 L385 I392 F393 F445 M446 N449L381-L389 HydrophobicContact CD1-CD1 3.63Å; L385-L389 HydrophobicContact CD1-CD1 4.27Å; L385-L389 HydrophobicContact CD1-CD2 4.49Å; L385-L389 HydrophobicContact CD1-CG 3.98Å; L385-L389 HydrophobicContact CG-CD1 4.04Å; L385-L389 HydrophobicContact CG-CG 4.24Å; L385-L389 WeakPolarHBondContact O-CB 3.48Å; L385-L389 WeakPolarHBondContact O-CG 3.43Å; L385-L389 PolarHBondContact O-N 3.13Å; L389-I392 HydrophobicContact CD2-CD1 4.4Å; L389-F393 WeakPolarHBondContact O-CB 3.31Å; L389-F393 PolarHBondContact O-N 2.92Å; L389-F445 HydrophobicContact CB-CE1 4.3Å; L389-F445 HydrophobicContact CD2-CE1 4.18Å; L389-M446 HydrophobicContact CB-CE 3.62Å; L389-M446 HydrophobicContact CB-SD 3.62Å; L389-M446 HydrophobicContact CD1-SD 4Å; L389-N449 HydrophobicContact CD1-CB 3.74Å; L389-N449 HydrophobicContact CD2-CB 4.18Å; L389-N449 WeakPolarHBondContact CD2-OD1 3.4Å
390S94.1Very high93.3Very high31 Ų3130.5 Ų30.522%0.21717%0.165CC..Hα-helixtrans-71.3-37.1175-63.90000111.5R386 E387 V388 E394 M446R386-S390 WeakPolarHBondContact O-CB 3.39Å; R386-S390 PolarHBondContact O-N 3.5Å; R386-S390 VanDerWaalsContact O-N 3.1Å; R386-S390 PolarHBondContact O-OG 3.33Å; E387-S390 VanDerWaalsContact O-CB 3.31Å; E387-S390 WeakPolarHBondContact O-CB 3.46Å; E387-S390 PolarHBondContact O-N 3.39Å; E387-S390 VanDerWaalsContact O-N 3.11Å; V388-S390 PolarHBondContact O-N 2.89Å; S390-E394 WeakPolarHBondContact O-CB 3.25Å; S390-E394 PolarHBondContact O-N 3.33Å; S390-E394 VanDerWaalsContact O-N 3.09Å; S390-M446 VanDerWaalsContact N-CE 3.32Å; S390-M446 WeakPolarHBondContact OG-CE 3.5Å
391E93.5Very high93.5Very high38 Ų3832 Ų3218%0.17817%0.174CC..Hα-helixtrans-67-42.1172.8-69.2-175.6163.400111.6L290 E387 V388 E394 M395 Y472L290-E391 HydrophobicContact CB-CB 4.32Å; L290-E391 HydrophobicContact CB-CG 4.06Å; L290-E391 HydrophobicContact CD1-CB 4.03Å; E387-E391 PolarHBondContact O-N 3.25Å; V388-E391 WeakPolarHBondContact O-CB 3.44Å; V388-E391 PolarHBondContact O-N 2.95Å; V388-E391 VanDerWaalsContact O-N 3.1Å; E391-E394 WeakPolarHBondContact O-CB 3.33Å; E391-E394 PolarHBondContact O-N 3.18Å; E391-M395 WeakPolarHBondContact O-CB 3.2Å; E391-M395 PolarHBondContact O-N 3.48Å; E391-Y472 WeakPolarHBondContact CB-OH 3.32Å; E391-Y472 PolarHBondContact OE2-OH 3.37Å
392I94.8Very high93.6Very high0 Ų033.5 Ų33.50%019%0.189CC..Hα-helixtrans-59.6-48.6173.7-73.3170.2000110.1V388 L389 E394 M395 I396 F412 F445 L467 M470 Y472V388-I392 HydrophobicContact CG1-CD1 3.96Å; V388-I392 HydrophobicContact CG1-CG1 4.49Å; V388-I392 WeakPolarHBondContact O-CG1 3.44Å; V388-I392 PolarHBondContact O-N 3.46Å; L389-I392 HydrophobicContact CD2-CD1 4.4Å; I392-E394 VanDerWaalsContact C-N 3.29Å; I392-E394 PolarHBondContact O-N 3.19Å; I392-M395 WeakPolarHBondContact O-CA 3.1Å; I392-M395 VanDerWaalsContact O-CB 3.3Å; I392-M395 WeakPolarHBondContact O-CB 3.32Å; I392-M395 PolarHBondContact O-N 3.25Å; I392-I396 HydrophobicContact CG2-CD1 4.46Å; I392-I396 WeakPolarHBondContact O-CG1 3.4Å; I392-I396 PolarHBondContact O-N 3.03Å; I392-F412 HydrophobicContact CG2-CD2 4.16Å; I392-F412 HydrophobicContact CG2-CE2 3.78Å; I392-F445 HydrophobicContact CG2-CE1 4.16Å; I392-F445 HydrophobicContact CG2-CZ 3.83Å; I392-L467 HydrophobicContact CD1-CD2 3.92Å; I392-M470 HydrophobicContact CD1-CB 4.1Å; I392-M470 HydrophobicContact CD1-CG 4.14Å; I392-M470 HydrophobicContact CG1-CB 4.26Å; I392-M470 HydrophobicContact CG1-CG 4.36Å; I392-M470 HydrophobicContact CG2-CE 4.16Å; I392-M470 HydrophobicContact CG2-CG 4.5Å; I392-Y472 HydrophobicContact CD1-CD2 4.21Å; I392-Y472 HydrophobicContact CD1-CE2 3.86Å; I392-Y472 HydrophobicContact CG1-CD2 4.4Å; I392-Y472 HydrophobicContact CG1-CE2 3.59Å
393F95.4Very high93.8Very high0 Ų033.5 Ų33.50%019%0.188CC..Hα-helixtrans-53.6-47.2175.9-177.2-82.7000111.5L389 M395 I396 D397 G402 L404 R442 F445L389-F393 WeakPolarHBondContact O-CB 3.31Å; L389-F393 PolarHBondContact O-N 2.92Å; F393-M395 VanDerWaalsContact C-N 3.26Å; F393-M395 PolarHBondContact O-N 2.82Å; F393-I396 WeakPolarHBondContact O-CG1 3.36Å; F393-I396 PolarHBondContact O-N 2.66Å; F393-D397 HydrophobicContact CE1-CB 4.39Å; F393-D397 WeakPolarHBondContact O-CB 3.36Å; F393-D397 PolarHBondContact O-N 2.75Å; F393-G402 WeakPolarHBondContact CZ-O 3.37Å; F393-L404 HydrophobicContact CD2-CD1 3.62Å; F393-L404 HydrophobicContact CD2-CD2 4.32Å; F393-L404 HydrophobicContact CD2-CG 3.94Å; F393-L404 HydrophobicContact CE2-CD1 3.56Å; F393-L404 HydrophobicContact CE2-CD2 4.02Å; F393-L404 HydrophobicContact CE2-CG 3.43Å; F393-L404 VanDerWaalsContact CE2-CG 3.43Å; F393-L404 HydrophobicContact CZ-CD1 4.47Å; F393-L404 HydrophobicContact CZ-CD2 4.15Å; F393-L404 HydrophobicContact CZ-CG 3.9Å; F393-R442 HydrophobicContact CD1-CB 4.21Å; F393-R442 HydrophobicContact CD1-CG 4.16Å; F393-R442 HydrophobicContact CD2-CB 4.17Å; F393-R442 HydrophobicContact CD2-CG 4.26Å; F393-R442 HydrophobicContact CE1-CB 4.04Å; F393-R442 HydrophobicContact CE1-CG 4.49Å; F393-R442 HydrophobicContact CE2-CB 3.97Å; F393-R442 VanDerWaalsContact CE2-N 3.33Å; F393-R442 HydrophobicContact CG-CB 4.28Å; F393-R442 HydrophobicContact CG-CG 4.05Å; F393-R442 HydrophobicContact CZ-CB 3.91Å; F393-F445 HydrophobicContact CB-CD1 4.13Å; F393-F445 HydrophobicContact CB-CE1 4.38Å; F393-F445 HydrophobicContact CD2-CB 3.78Å; F393-F445 HydrophobicContact CD2-CD1 4.03Å; F393-F445 AromaticContact CD2-CG 3.92Å; F393-F445 HydrophobicContact CD2-CG 3.92Å; F393-F445 HydrophobicContact CE2-CB 4.17Å
394E94.2Very high94Very high48 Ų4829.9 Ų29.922%0.22416%0.163CC..Hα-helixtrans-64.3-30.9178.9-168.363.4-140.600112.9K255 L290 S390 E391 I392 R442K255-E394 PolarHBondContact NZ-O 2.74Å; K255-E394 IonicContact NZ-OE1 2.81Å; K255-E394 PolarHBondContact NZ-OE1 3.22Å; L290-E394 HydrophobicContact CD2-CB 4.13Å; L290-E394 HydrophobicContact CD2-CG 3.81Å; S390-E394 WeakPolarHBondContact O-CB 3.25Å; S390-E394 PolarHBondContact O-N 3.33Å; S390-E394 VanDerWaalsContact O-N 3.09Å; E391-E394 WeakPolarHBondContact O-CB 3.33Å; E391-E394 PolarHBondContact O-N 3.18Å; I392-E394 VanDerWaalsContact C-N 3.29Å; I392-E394 PolarHBondContact O-N 3.19Å; E394-R442 IonicContact OE2-CZ 2.71Å; E394-R442 IonicContact OE2-NH2 3.95Å; E394-R442 PolarHBondContact OE2-NH2 3.22Å
395M93.1Very high94.1Very high5 Ų526.5 Ų26.53%0.02515%0.15CC..Hα-helixtrans-73.3-35.1177.7-167.7-172.6-48.600112.6C257 F259 L290 E391 I392 F393 M470 L478 P483C257-M395 HydrophobicContact CB-CG 3.88Å; C257-M395 HydrophobicContact CB-SD 3.76Å; C257-M395 PolarHBondContact SG-SD 3.05Å; F259-M395 HydrophobicContact CE1-SD 3.9Å; F259-M395 HydrophobicContact CZ-SD 3.8Å; L290-M395 HydrophobicContact CD1-CE 4.08Å; E391-M395 WeakPolarHBondContact O-CB 3.2Å; E391-M395 PolarHBondContact O-N 3.48Å; I392-M395 WeakPolarHBondContact O-CA 3.1Å; I392-M395 VanDerWaalsContact O-CB 3.3Å; I392-M395 WeakPolarHBondContact O-CB 3.32Å; I392-M395 PolarHBondContact O-N 3.25Å; F393-M395 VanDerWaalsContact C-N 3.26Å; F393-M395 PolarHBondContact O-N 2.82Å; M395-M470 HydrophobicContact SD-CE 3.72Å; M395-L478 HydrophobicContact CE-CD1 4.18Å; M395-L478 HydrophobicContact CE-CD2 4.17Å; M395-P483 HydrophobicContact CE-CG 3.87Å; M395-P483 HydrophobicContact CG-CB 4.49Å; M395-P483 HydrophobicContact CG-CG 4.3Å; M395-P483 HydrophobicContact SD-CG 4.36Å
396I93.8Very high94Very high13 Ų1328.3 Ų28.37%0.06716%0.159CC..Hα-helixtrans-93.3-18.3-17766.1178.6000113.2I392 F393 L398 L404 E408 F412 F445 M470I392-I396 HydrophobicContact CG2-CD1 4.46Å; I392-I396 WeakPolarHBondContact O-CG1 3.4Å; I392-I396 PolarHBondContact O-N 3.03Å; F393-I396 WeakPolarHBondContact O-CG1 3.36Å; F393-I396 PolarHBondContact O-N 2.66Å; I396-L398 VanDerWaalsContact C-N 3.31Å; I396-L398 WeakPolarHBondContact O-CG 3.33Å; I396-L398 PolarHBondContact O-N 3.03Å; I396-L404 HydrophobicContact CD1-CD1 3.43Å; I396-L404 VanDerWaalsContact CD1-CD1 3.43Å; I396-L404 HydrophobicContact CD1-CD2 4.18Å; I396-L404 HydrophobicContact CD1-CG 4.43Å; I396-L404 HydrophobicContact CG1-CD1 3.9Å; I396-L404 HydrophobicContact CG1-CD2 3.67Å; I396-L404 HydrophobicContact CG1-CG 4.43Å; I396-E408 WeakPolarHBondContact O-CB 3.15Å; I396-E408 WeakPolarHBondContact O-CG 3.34Å; I396-F412 HydrophobicContact CD1-CB 4.03Å; I396-F412 HydrophobicContact CD1-CD2 4.14Å; I396-F412 HydrophobicContact CD1-CG 4.07Å; I396-F412 HydrophobicContact CG2-CB 4.09Å; I396-F412 HydrophobicContact CG2-CD2 4.14Å; I396-F445 HydrophobicContact CD1-CE2 3.97Å; I396-F445 HydrophobicContact CD1-CZ 4.18Å; I396-M470 HydrophobicContact CG2-CE 3.95Å
397D95.6Very high93.9Very high2 Ų230.5 Ų30.51%0.01118%0.177CC..  trans-7184165.5173.221.4000109.5K255 F393 G400 N401 G402 L404K255-D397 VanDerWaalsContact CD-O 3.28Å; K255-D397 WeakPolarHBondContact CD-O 3.12Å; K255-D397 WeakPolarHBondContact CE-O 3.41Å; K255-D397 PolarHBondContact NZ-O 3.15Å; K255-D397 IonicContact NZ-OD2 2.81Å; F393-D397 HydrophobicContact CE1-CB 4.39Å; F393-D397 WeakPolarHBondContact O-CB 3.36Å; F393-D397 PolarHBondContact O-N 2.75Å; D397-G400 PolarHBondContact O-N 2.96Å; D397-G400 VanDerWaalsContact OD1-CA 3.29Å; D397-G400 WeakPolarHBondContact OD1-CA 3.45Å; D397-G400 PolarHBondContact OD1-N 2.86Å; D397-G400 VanDerWaalsContact OD2-CA 3.29Å; D397-G400 WeakPolarHBondContact OD2-CA 3.45Å; D397-N401 PolarHBondContact OD1-N 2.96Å; D397-N401 VanDerWaalsContact OD1-N 3.08Å; D397-G402 WeakPolarHBondContact OD2-CA 3.34Å; D397-G402 PolarHBondContact OD2-N 3.43Å; D397-L404 HydrophobicContact CB-CD2 3.87Å
398L94.7Very high94Very high8 Ų826.6 Ų26.64%0.04216%0.158CC..SBendtrans-74.4-32.5-168.2-61.4-176.8000112.3M254 K255 L269 I396 E408 L411 P499M254-L398 WeakPolarHBondContact CA-O 3.33Å; M254-L398 HydrophobicContact CE-CB 3.69Å; M254-L398 HydrophobicContact CE-CD1 4.35Å; K255-L398 PolarHBondContact N-O 2.76Å; L269-L398 HydrophobicContact CD1-CD1 3.68Å; L269-L398 HydrophobicContact CD1-CD2 4.05Å; I396-L398 VanDerWaalsContact C-N 3.31Å; I396-L398 WeakPolarHBondContact O-CG 3.33Å; I396-L398 PolarHBondContact O-N 3.03Å; L398-E408 HydrophobicContact CB-CG 4.31Å; L398-E408 HydrophobicContact CD1-CG 4.33Å; L398-E408 HydrophobicContact CG-CG 4.12Å; L398-E408 PolarHBondContact N-OE1 2.89Å; L398-L411 HydrophobicContact CD1-CD1 3.63Å; L398-P499 HydrophobicContact CD1-CB 3.91Å; L398-P499 HydrophobicContact CD1-CG 4.04Å
399D93.9Very high93.8Very high65 Ų6526.7 Ų26.735%0.34816%0.158SC..SBendtrans-91-6.3177.876.21.8000113.3F253 N401 E408F253-D399 WeakPolarHBondContact CE2-O 3.5Å; F253-D399 WeakPolarHBondContact CZ-O 3.44Å; D399-N401 VanDerWaalsContact C-N 3.28Å; D399-N401 PolarHBondContact O-N 3.25Å; D399-N401 WeakPolarHBondContact OD1-CB 3.43Å; D399-N401 PolarHBondContact OD1-N 3.03Å; D399-N401 PolarHBondContact OD1-ND2 3.41Å; D399-N401 PolarHBondContact OD2-ND2 2.83Å; D399-E408 PolarHBondContact N-OE1 3.06Å
400G93Very high93.4Very high33 Ų3327.6 Ų27.634%0.3416%0.163SC..  trans7121.117600000113.9D397 G402D397-G400 PolarHBondContact O-N 2.96Å; D397-G400 VanDerWaalsContact OD1-CA 3.29Å; D397-G400 WeakPolarHBondContact OD1-CA 3.45Å; D397-G400 PolarHBondContact OD1-N 2.86Å; D397-G400 VanDerWaalsContact OD2-CA 3.29Å; D397-G400 WeakPolarHBondContact OD2-CA 3.45Å; G400-G402 PolarHBondContact O-N 3.12Å
401N94.1Very high93Very high65 Ų6528.1 Ų28.135%0.34816%0.163SC..SBendtrans-80.6-6.9-178.577.331.2000112.8D397 D399 L403D397-N401 PolarHBondContact OD1-N 2.96Å; D397-N401 VanDerWaalsContact OD1-N 3.08Å; D399-N401 VanDerWaalsContact C-N 3.28Å; D399-N401 PolarHBondContact O-N 3.25Å; D399-N401 WeakPolarHBondContact OD1-CB 3.43Å; D399-N401 PolarHBondContact OD1-N 3.03Å; D399-N401 PolarHBondContact OD1-ND2 3.41Å; D399-N401 PolarHBondContact OD2-ND2 2.83Å; N401-L403 VanDerWaalsContact OD1-CA 3.31Å; N401-L403 WeakPolarHBondContact OD1-CA 3.47Å; N401-L403 WeakPolarHBondContact OD1-CB 3.22Å; N401-L403 PolarHBondContact OD1-N 2.92Å; N401-L403 PolarHBondContact OD1-O 2.82Å
402G94.6Very high92.8Very high32 Ų3226.6 Ų26.633%0.3316%0.156SC..SBendtrans80.114179.700000114.9F393 D397 G400F393-G402 WeakPolarHBondContact CZ-O 3.37Å; D397-G402 WeakPolarHBondContact OD2-CA 3.34Å; D397-G402 PolarHBondContact OD2-N 3.43Å; G400-G402 PolarHBondContact O-N 3.12Å
403L96.3Very high92.2Very high14 Ų1428.4 Ų28.47%0.07316%0.164CC..EExtended strand (participates in β ladder)trans-137.4152.3179.2-53.8171.3000109.1N401 R436 Q439 L440 T441N401-L403 VanDerWaalsContact OD1-CA 3.31Å; N401-L403 WeakPolarHBondContact OD1-CA 3.47Å; N401-L403 WeakPolarHBondContact OD1-CB 3.22Å; N401-L403 PolarHBondContact OD1-N 2.92Å; N401-L403 PolarHBondContact OD1-O 2.82Å; L403-R436 HydrophobicContact CD1-CB 4.23Å; L403-R436 HydrophobicContact CD1-CG 4.32Å; L403-R436 HydrophobicContact CD2-CB 3.87Å; L403-Q439 HydrophobicContact CB-CB 3.7Å; L403-Q439 VanDerWaalsContact CB-OE1 3.3Å; L403-Q439 HydrophobicContact CD1-CB 4.33Å; L403-L440 CarbonylContact C-O 3.57Å; L403-L440 WeakPolarHBondContact CA-O 3.26Å; L403-T441 HydrophobicContact CD2-CG2 3.91Å
404L95.2Very high91.5Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-104.9116.7177.5-51.9176.1000110.8F393 I396 D397 Q439 L440 F445F393-L404 HydrophobicContact CD2-CD1 3.62Å; F393-L404 HydrophobicContact CD2-CD2 4.32Å; F393-L404 HydrophobicContact CD2-CG 3.94Å; F393-L404 HydrophobicContact CE2-CD1 3.56Å; F393-L404 HydrophobicContact CE2-CD2 4.02Å; F393-L404 HydrophobicContact CE2-CG 3.43Å; F393-L404 VanDerWaalsContact CE2-CG 3.43Å; F393-L404 HydrophobicContact CZ-CD1 4.47Å; F393-L404 HydrophobicContact CZ-CD2 4.15Å; F393-L404 HydrophobicContact CZ-CG 3.9Å; I396-L404 HydrophobicContact CD1-CD1 3.43Å; I396-L404 VanDerWaalsContact CD1-CD1 3.43Å; I396-L404 HydrophobicContact CD1-CD2 4.18Å; I396-L404 HydrophobicContact CD1-CG 4.43Å; I396-L404 HydrophobicContact CG1-CD1 3.9Å; I396-L404 HydrophobicContact CG1-CD2 3.67Å; I396-L404 HydrophobicContact CG1-CG 4.43Å; D397-L404 HydrophobicContact CB-CD2 3.87Å; L404-Q439 CarbonylContact O-C 3.48Å; L404-Q439 WeakPolarHBondContact O-CA 3.36Å; L404-Q439 WeakPolarHBondContact O-CB 3.4Å; L404-L440 HydrophobicContact CB-CB 4.22Å; L404-L440 HydrophobicContact CD1-CD2 4.45Å; L404-L440 PolarHBondContact N-O 3.49Å; L404-L440 PolarHBondContact O-N 2.88Å; L404-F445 HydrophobicContact CD1-CD2 3.97Å; L404-F445 HydrophobicContact CD1-CG 4.38Å
405S94Very high91Very high25 Ų2532.6 Ų32.618%0.17518%0.183CC..  trans-67162.4165.565.20000111.6D407 E408 Y409S405-D407 PolarHBondContact O-N 3.06Å; S405-E408 WeakPolarHBondContact CB-OE2 3.49Å; S405-E408 PolarHBondContact N-OE2 2.83Å; S405-E408 PolarHBondContact O-N 2.93Å; S405-E408 WeakPolarHBondContact OG-CG 3.39Å; S405-E408 PolarHBondContact OG-N 3.03Å; S405-E408 PolarHBondContact OG-OE2 2.86Å; S405-Y409 WeakPolarHBondContact O-CB 3.44Å; S405-Y409 PolarHBondContact O-N 3.05Å
406L91.1Very high90.4Very high39 Ų3933 Ų3320%0.20419%0.185CC..Hα-helixtrans-57.6-35173175.657.4000111.6N410 C421 W426L406-N410 WeakPolarHBondContact CD1-ND2 3.26Å; L406-N410 WeakPolarHBondContact O-CB 3.41Å; L406-N410 VanDerWaalsContact O-CG 3.26Å; L406-N410 PolarHBondContact O-N 3.06Å; L406-N410 PolarHBondContact O-ND2 2.97Å; L406-C421 HydrophobicContact CD1-CB 4.4Å; L406-W426 HydrophobicContact CB-CD2 4.31Å; L406-W426 HydrophobicContact CB-CG 4.43Å; L406-W426 HydrophobicContact CB-CZ2 4.39Å; L406-W426 HydrophobicContact CD1-CB 3.87Å; L406-W426 HydrophobicContact CD1-CD2 3.7Å; L406-W426 HydrophobicContact CD1-CE3 3.92Å; L406-W426 HydrophobicContact CD1-CG 3.69Å; L406-W426 HydrophobicContact CD2-CB 4.46Å; L406-W426 HydrophobicContact CD2-CG 4.3Å; L406-W426 HydrophobicContact CG-CG 4.36Å
407D90.5Very high89.5Confident121 Ų12135.5 Ų35.565%0.64720%0.204SC*.Hα-helixtrans-68.4-43.1179-70.1-31.6000111.5S405 N410 L411S405-D407 PolarHBondContact O-N 3.06Å; D407-N410 PolarHBondContact O-N 2.98Å; D407-L411 WeakPolarHBondContact O-CG 3.48Å; D407-L411 PolarHBondContact O-N 2.89Å; D407-L411 VanDerWaalsContact O-N 3.11Å
408E93.7Very high88.4Confident11 Ų1137.7 Ų37.75%0.05123%0.227CC..Hα-helixtrans-65.6-44.6175.3-72.9162.9139.900111.9I396 L398 D399 S405 N410 L411 F412I396-E408 WeakPolarHBondContact O-CB 3.15Å; I396-E408 WeakPolarHBondContact O-CG 3.34Å; L398-E408 HydrophobicContact CB-CG 4.31Å; L398-E408 HydrophobicContact CD1-CG 4.33Å; L398-E408 HydrophobicContact CG-CG 4.12Å; L398-E408 PolarHBondContact N-OE1 2.89Å; D399-E408 PolarHBondContact N-OE1 3.06Å; S405-E408 WeakPolarHBondContact CB-OE2 3.49Å; S405-E408 PolarHBondContact N-OE2 2.83Å; S405-E408 PolarHBondContact O-N 2.93Å; S405-E408 WeakPolarHBondContact OG-CG 3.39Å; S405-E408 PolarHBondContact OG-N 3.03Å; S405-E408 PolarHBondContact OG-OE2 2.86Å; E408-N410 VanDerWaalsContact C-N 3.3Å; E408-N410 PolarHBondContact O-N 3.19Å; E408-L411 WeakPolarHBondContact O-CB 3.48Å; E408-L411 PolarHBondContact O-N 3.31Å; E408-L411 VanDerWaalsContact O-N 3.15Å; E408-F412 PolarHBondContact O-N 2.8Å
409Y90.3Very high87.2Confident10 Ų1044.4 Ų44.44%0.03926%0.258CS..Hα-helixtrans-61.6-39.4175.5-170.9-97.4000111.8S405 L411 F412 E413 C421 W426 L440 F445 L448S405-Y409 WeakPolarHBondContact O-CB 3.44Å; S405-Y409 PolarHBondContact O-N 3.05Å; Y409-L411 VanDerWaalsContact C-N 3.3Å; Y409-L411 PolarHBondContact O-N 3.46Å; Y409-F412 HydrophobicContact CE2-CD1 4.22Å; Y409-F412 WeakPolarHBondContact O-CB 3.05Å; Y409-F412 PolarHBondContact O-N 2.7Å; Y409-F412 VanDerWaalsContact O-N 3.17Å; Y409-E413 HydrophobicContact CD1-CG 3.83Å; Y409-E413 HydrophobicContact CE1-CG 3.34Å; Y409-E413 VanDerWaalsContact CZ-OE1 3.26Å; Y409-E413 PolarHBondContact O-N 3.48Å; Y409-E413 PolarHBondContact OH-OE1 3.07Å; Y409-C421 HydrophobicContact CD1-CB 3.99Å; Y409-C421 HydrophobicContact CE1-CB 3.99Å; Y409-W426 HydrophobicContact CD1-CE3 4.08Å; Y409-W426 AromaticContact CD1-CZ3 3.59Å; Y409-W426 HydrophobicContact CD1-CZ3 3.59Å; Y409-W426 HydrophobicContact CD2-CZ3 4.08Å; Y409-W426 HydrophobicContact CE1-CZ3 4.23Å; Y409-W426 HydrophobicContact CG-CE3 4.43Å; Y409-W426 HydrophobicContact CG-CH2 4.08Å; Y409-W426 AromaticContact CG-CZ3 3.52Å; Y409-W426 HydrophobicContact CG-CZ3 3.52Å; Y409-L440 HydrophobicContact CD2-CD2 4.07Å; Y409-L440 HydrophobicContact CE2-CD2 4.13Å; Y409-F445 HydrophobicContact CE2-CD2 4.5Å; Y409-L448 HydrophobicContact CE2-CD1 4.18Å
410N86.1Confident86.3Confident20 Ų2047.6 Ų47.611%0.10727%0.269CS..Hα-helixtrans-67.8-27175.9-85.3-28.8000114L406 D407 E408 L414 K420 C421L406-N410 WeakPolarHBondContact CD1-ND2 3.26Å; L406-N410 WeakPolarHBondContact O-CB 3.41Å; L406-N410 VanDerWaalsContact O-CG 3.26Å; L406-N410 PolarHBondContact O-N 3.06Å; L406-N410 PolarHBondContact O-ND2 2.97Å; D407-N410 PolarHBondContact O-N 2.98Å; E408-N410 VanDerWaalsContact C-N 3.3Å; E408-N410 PolarHBondContact O-N 3.19Å; N410-L414 WeakPolarHBondContact O-CB 3.36Å; N410-L414 PolarHBondContact O-N 3.4Å; N410-K420 HydrophobicContact CB-CG 4.5Å; N410-C421 PolarHBondContact ND2-O 3.48Å; N410-C421 VanDerWaalsContact ND2-O 3.12Å; N410-C421 WeakPolarHBondContact OD1-CA 3.27Å; N410-C421 VanDerWaalsContact OD1-CB 3.28Å; N410-C421 WeakPolarHBondContact OD1-CB 3.38Å; N410-C421 PolarHBondContact OD1-N 3.49Å; N410-C421 PolarHBondContact OD1-O 2.87Å; N410-C421 VanDerWaalsContact OD1-O 3.06Å
411L85.3Confident85.6Confident42 Ų4246.9 Ų46.922%0.2226%0.259CS..Hα-helixtrans-72-34.4172.4-70172.2000111.5L269 L398 D407 E408 Y409 R415 C501L269-L411 HydrophobicContact CD1-CD1 3.94Å; L269-L411 HydrophobicContact CD2-CD1 4.16Å; L269-L411 HydrophobicContact CD2-CD2 3.84Å; L398-L411 HydrophobicContact CD1-CD1 3.63Å; D407-L411 WeakPolarHBondContact O-CG 3.48Å; D407-L411 PolarHBondContact O-N 2.89Å; D407-L411 VanDerWaalsContact O-N 3.11Å; E408-L411 WeakPolarHBondContact O-CB 3.48Å; E408-L411 PolarHBondContact O-N 3.31Å; E408-L411 VanDerWaalsContact O-N 3.15Å; Y409-L411 VanDerWaalsContact C-N 3.3Å; Y409-L411 PolarHBondContact O-N 3.46Å; L411-R415 PolarHBondContact O-N 3.12Å; L411-C501 HydrophobicContact CD2-CB 4.27Å
412F88.5Confident85Confident6 Ų648.3 Ų48.33%0.02627%0.266CS..Hα-helixtrans-64.8-56171.1169.1-100.7000111.2I392 I396 E408 Y409 L414 R415 T416 F445 T466 M470I392-F412 HydrophobicContact CG2-CD2 4.16Å; I392-F412 HydrophobicContact CG2-CE2 3.78Å; I396-F412 HydrophobicContact CD1-CB 4.03Å; I396-F412 HydrophobicContact CD1-CD2 4.14Å; I396-F412 HydrophobicContact CD1-CG 4.07Å; I396-F412 HydrophobicContact CG2-CB 4.09Å; I396-F412 HydrophobicContact CG2-CD2 4.14Å; E408-F412 PolarHBondContact O-N 2.8Å; Y409-F412 HydrophobicContact CE2-CD1 4.22Å; Y409-F412 WeakPolarHBondContact O-CB 3.05Å; Y409-F412 PolarHBondContact O-N 2.7Å; Y409-F412 VanDerWaalsContact O-N 3.17Å; F412-L414 PolarHBondContact O-N 3.31Å; F412-R415 WeakPolarHBondContact O-CA 3.42Å; F412-R415 WeakPolarHBondContact O-CB 3.37Å; F412-R415 PolarHBondContact O-N 2.91Å; F412-T416 HydrophobicContact CD2-CG2 4.01Å; F412-T416 HydrophobicContact CE1-CG2 4.45Å; F412-T416 HydrophobicContact CE2-CG2 3.65Å; F412-T416 HydrophobicContact CZ-CG2 3.9Å; F412-T416 PolarHBondContact O-N 2.9Å; F412-T416 PolarHBondContact O-OG1 3.38Å; F412-F445 HydrophobicContact CD1-CE2 4.45Å; F412-F445 HydrophobicContact CE1-CE2 4.1Å; F412-F445 HydrophobicContact CE1-CZ 4.47Å; F412-F445 HydrophobicContact CE2-CZ 4.28Å; F412-F445 HydrophobicContact CZ-CE2 4.17Å; F412-F445 HydrophobicContact CZ-CZ 4.07Å; F412-T466 HydrophobicContact CE2-CG2 4.15Å; F412-T466 HydrophobicContact CZ-CG2 3.75Å; F412-M470 HydrophobicContact CD2-CE 4.31Å; F412-M470 HydrophobicContact CD2-CG 4.46Å; F412-M470 HydrophobicContact CD2-SD 3.88Å; F412-M470 HydrophobicContact CE2-CG 4.06Å; F412-M470 HydrophobicContact CE2-SD 4.09Å
413E83.4Confident84.4Confident38 Ų3854.2 Ų54.218%0.17829%0.285CS..Hα-helixtrans-56.2-46.4179.2-76.1-64.1142.300112.4Y409 R415 T416 S417 G418 E419Y409-E413 HydrophobicContact CD1-CG 3.83Å; Y409-E413 HydrophobicContact CE1-CG 3.34Å; Y409-E413 VanDerWaalsContact CZ-OE1 3.26Å; Y409-E413 PolarHBondContact O-N 3.48Å; Y409-E413 PolarHBondContact OH-OE1 3.07Å; E413-R415 PolarHBondContact O-N 3.4Å; E413-T416 PolarHBondContact O-N 3.24Å; E413-T416 VanDerWaalsContact O-N 3.11Å; E413-T416 PolarHBondContact O-OG1 2.89Å; E413-S417 PolarHBondContact O-N 3.24Å; E413-S417 PolarHBondContact O-OG 3.29Å; E413-S417 PolarHBondContact OE2-OG 3.49Å; E413-G418 PolarHBondContact O-N 2.65Å; E413-E419 CarbonylContact C-O 3.53Å; E413-E419 VanDerWaalsContact C-O 3.25Å; E413-E419 WeakPolarHBondContact CB-O 3.34Å
414L80.4Confident83.7Confident64 Ų6459.7 Ų59.734%0.33531%0.314SS..Hα-helixtrans-60.7-25.8179.4-173.265.9000112.2N410 F412 G418 E419 K420N410-L414 WeakPolarHBondContact O-CB 3.36Å; N410-L414 PolarHBondContact O-N 3.4Å; F412-L414 PolarHBondContact O-N 3.31Å; L414-G418 VanDerWaalsContact O-CA 3.32Å; L414-G418 WeakPolarHBondContact O-CA 3.4Å; L414-E419 WeakPolarHBondContact CA-O 3.27Å; L414-E419 PolarHBondContact N-O 3.02Å; L414-K420 HydrophobicContact CD1-CG 4.46Å
415R83.2Confident82.8Confident72 Ų7261.7 Ų61.727%0.27233%0.331SS..Hα-helixtrans-85.8-36.5176.3-175.4156.7-168.891.512.3113D261 S267 L411 F412 E413 S469D261-R415 IonicContact OD1-CZ 2.69Å; D261-R415 IonicContact OD1-NH1 2.83Å; D261-R415 PolarHBondContact OD1-NH1 2.88Å; D261-R415 IonicContact OD1-NH2 3.59Å; D261-R415 PolarHBondContact OD1-NH2 2.74Å; S267-R415 PolarHBondContact OG-NH1 3.46Å; L411-R415 PolarHBondContact O-N 3.12Å; F412-R415 WeakPolarHBondContact O-CA 3.42Å; F412-R415 WeakPolarHBondContact O-CB 3.37Å; F412-R415 PolarHBondContact O-N 2.91Å; E413-R415 PolarHBondContact O-N 3.4Å; R415-S469 PolarHBondContact NE-O 2.86Å
416T81.8Confident82.4Confident13 Ų1361 Ų618%0.0833%0.325CS..Hα-helixtrans-89.6-46.2-174540000112.6F412 E413 T466 M470F412-T416 HydrophobicContact CD2-CG2 4.01Å; F412-T416 HydrophobicContact CE1-CG2 4.45Å; F412-T416 HydrophobicContact CE2-CG2 3.65Å; F412-T416 HydrophobicContact CZ-CG2 3.9Å; F412-T416 PolarHBondContact O-N 2.9Å; F412-T416 PolarHBondContact O-OG1 3.38Å; E413-T416 PolarHBondContact O-N 3.24Å; E413-T416 VanDerWaalsContact O-N 3.11Å; E413-T416 PolarHBondContact O-OG1 2.89Å; T416-T466 HydrophobicContact CG2-CG2 3.93Å; T416-M470 HydrophobicContact CG2-CG 4.06Å; T416-M470 HydrophobicContact CG2-SD 4.07Å
417S74.2Confident82Confident66 Ų6660.8 Ų60.846%0.46233%0.328SS..THydrogen-bonded Turntrans-102.7-22.6-178.565.90000112.7E413 E419E413-S417 PolarHBondContact O-N 3.24Å; E413-S417 PolarHBondContact O-OG 3.29Å; E413-S417 PolarHBondContact OE2-OG 3.49Å; S417-E419 PolarHBondContact O-N 3.26Å; S417-E419 PolarHBondContact OG-N 2.91Å
418G71.3Confident81.6Confident48 Ų4858.8 Ų58.850%0.49532%0.32SS..SBendtrans80.72.9-174.700000113.5E413 L414E413-G418 PolarHBondContact O-N 2.65Å; L414-G418 VanDerWaalsContact O-CA 3.32Å; L414-G418 WeakPolarHBondContact O-CA 3.4Å
419E70.8Confident81Confident148 Ų14859 Ų5969%0.69232%0.323SS*.SBendtrans-117.2166.8179.8-62.1-169.2165.400110.5E413 L414 S417E413-E419 CarbonylContact C-O 3.53Å; E413-E419 VanDerWaalsContact C-O 3.25Å; E413-E419 WeakPolarHBondContact CB-O 3.34Å; L414-E419 WeakPolarHBondContact CA-O 3.27Å; L414-E419 PolarHBondContact N-O 3.02Å; S417-E419 PolarHBondContact O-N 3.26Å; S417-E419 PolarHBondContact OG-N 2.91Å
420K74.8Confident80.8Confident133 Ų13362.7 Ų62.758%0.57834%0.339SS*.  trans-110.2140.6174.7-69.5-174.9179-176.30109N410 L414 D422N410-K420 HydrophobicContact CB-CG 4.5Å; L414-K420 HydrophobicContact CD1-CG 4.46Å; K420-D422 PolarHBondContact O-N 3.3Å
421C78.1Confident80.8Confident18 Ų1869.5 Ų69.512%0.12237%0.37CS..  trans-68.3116164.9-172.10000109.1L406 Y409 N410 W426L406-C421 HydrophobicContact CD1-CB 4.4Å; Y409-C421 HydrophobicContact CD1-CB 3.99Å; Y409-C421 HydrophobicContact CE1-CB 3.99Å; N410-C421 PolarHBondContact ND2-O 3.48Å; N410-C421 VanDerWaalsContact ND2-O 3.12Å; N410-C421 WeakPolarHBondContact OD1-CA 3.27Å; N410-C421 VanDerWaalsContact OD1-CB 3.28Å; N410-C421 WeakPolarHBondContact OD1-CB 3.38Å; N410-C421 PolarHBondContact OD1-N 3.49Å; N410-C421 PolarHBondContact OD1-O 2.87Å; N410-C421 VanDerWaalsContact OD1-O 3.06Å; C421-W426 PolarHBondContact SG-N 2.9Å
422D80.8Confident80.8Confident95 Ų9572.4 Ų72.451%0.50839%0.386SS..  trans-76.8176.3174.369.128000111.6K420 D424 A425 W426K420-D422 PolarHBondContact O-N 3.3Å; D422-D424 VanDerWaalsContact C-N 3.26Å; D422-D424 PolarHBondContact O-N 2.95Å; D422-D424 PolarHBondContact OD1-N 3.5Å; D422-A425 WeakPolarHBondContact OD1-CB 3.18Å; D422-A425 PolarHBondContact OD1-N 3.07Å; D422-W426 WeakPolarHBondContact O-CB 3.46Å; D422-W426 PolarHBondContact O-N 2.84Å
423Q82.6Confident81Confident155 Ų15573.4 Ų73.472%0.72439%0.39SS*.Hα-helixtrans-67.9-27.8-176.4-69.1-174.4-7.100113.1A427Q423-A427 WeakPolarHBondContact O-CB 3.18Å; Q423-A427 PolarHBondContact O-N 2.73Å
424D81Confident81.4Confident129 Ų12975 Ų7569%0.6940%0.4SS*.Hα-helixtrans-77.8-45.2-178-66.8-25.7000109.6D422 W426 A427 V428D422-D424 VanDerWaalsContact C-N 3.26Å; D422-D424 PolarHBondContact O-N 2.95Å; D422-D424 PolarHBondContact OD1-N 3.5Å; D424-W426 VanDerWaalsContact C-N 3.33Å; D424-W426 PolarHBondContact O-N 2.88Å; D424-A427 WeakPolarHBondContact O-CB 3.48Å; D424-A427 PolarHBondContact O-N 3.11Å; D424-A427 VanDerWaalsContact O-N 3.1Å; D424-V428 PolarHBondContact O-N 3.15Å; D424-V428 VanDerWaalsContact O-N 3.14Å
425A76.6Confident82Confident42 Ų4273.9 Ų73.935%0.34739%0.393SS..Hα-helixtrans-60.1-42.517100000111.5D422 A427 V428 C429D422-A425 WeakPolarHBondContact OD1-CB 3.18Å; D422-A425 PolarHBondContact OD1-N 3.07Å; A425-A427 VanDerWaalsContact C-N 3.26Å; A425-A427 PolarHBondContact O-N 3.16Å; A425-V428 WeakPolarHBondContact O-CB 3.44Å; A425-V428 PolarHBondContact O-N 3.34Å; A425-V428 VanDerWaalsContact O-N 3.15Å; A425-C429 PolarHBondContact O-N 3.39Å; A425-C429 PolarHBondContact O-SG 3.3Å; A425-C429 VanDerWaalsContact O-SG 3.41Å
426W85.1Confident82.5Confident12 Ų1278.2 Ų78.25%0.04541%0.41CS..Hα-helixtrans-65.5-29.6175-169.7-115.5000112.9L406 Y409 C421 D422 D424 C429 K430 M435 L440L406-W426 HydrophobicContact CB-CD2 4.31Å; L406-W426 HydrophobicContact CB-CG 4.43Å; L406-W426 HydrophobicContact CB-CZ2 4.39Å; L406-W426 HydrophobicContact CD1-CB 3.87Å; L406-W426 HydrophobicContact CD1-CD2 3.7Å; L406-W426 HydrophobicContact CD1-CE3 3.92Å; L406-W426 HydrophobicContact CD1-CG 3.69Å; L406-W426 HydrophobicContact CD2-CB 4.46Å; L406-W426 HydrophobicContact CD2-CG 4.3Å; L406-W426 HydrophobicContact CG-CG 4.36Å; Y409-W426 HydrophobicContact CD1-CE3 4.08Å; Y409-W426 AromaticContact CD1-CZ3 3.59Å; Y409-W426 HydrophobicContact CD1-CZ3 3.59Å; Y409-W426 HydrophobicContact CD2-CZ3 4.08Å; Y409-W426 HydrophobicContact CE1-CZ3 4.23Å; Y409-W426 HydrophobicContact CG-CE3 4.43Å; Y409-W426 HydrophobicContact CG-CH2 4.08Å; Y409-W426 AromaticContact CG-CZ3 3.52Å; Y409-W426 HydrophobicContact CG-CZ3 3.52Å; C421-W426 PolarHBondContact SG-N 2.9Å; D422-W426 WeakPolarHBondContact O-CB 3.46Å; D422-W426 PolarHBondContact O-N 2.84Å; D424-W426 VanDerWaalsContact C-N 3.33Å; D424-W426 PolarHBondContact O-N 2.88Å; W426-C429 HydrophobicContact CE3-CB 4.13Å; W426-C429 PolarHBondContact O-N 2.69Å; W426-K430 WeakPolarHBondContact O-CE 3.37Å; W426-K430 WeakPolarHBondContact O-CG 3.24Å; W426-K430 PolarHBondContact O-N 3.49Å; W426-M435 HydrophobicContact CH2-CE 4.17Å; W426-M435 HydrophobicContact CZ2-CE 3.57Å; W426-L440 HydrophobicContact CH2-CB 3.8Å; W426-L440 HydrophobicContact CZ2-CB 4.43Å
427A84.1Confident82.9Confident33 Ų3386 Ų8627%0.27344%0.442SS..Hα-helixtrans-64.4-43.1172.700000111.5Q423 D424 A425 C429 K430 E431Q423-A427 WeakPolarHBondContact O-CB 3.18Å; Q423-A427 PolarHBondContact O-N 2.73Å; D424-A427 WeakPolarHBondContact O-CB 3.48Å; D424-A427 PolarHBondContact O-N 3.11Å; D424-A427 VanDerWaalsContact O-N 3.1Å; A425-A427 VanDerWaalsContact C-N 3.26Å; A425-A427 PolarHBondContact O-N 3.16Å; A427-C429 VanDerWaalsContact C-N 3.33Å; A427-C429 PolarHBondContact O-N 2.92Å; A427-K430 VanDerWaalsContact CA-CE 3.5Å; A427-K430 WeakPolarHBondContact O-CB 3.13Å; A427-K430 PolarHBondContact O-N 3.21Å; A427-K430 VanDerWaalsContact O-N 3.16Å; A427-E431 PolarHBondContact O-N 3.34Å
428V82.4Confident83.6Confident79 Ų7988.8 Ų88.848%0.47945%0.452SS..Hα-helixtrans-61.6-42.3173.6178.80000110.9D424 A425 K430 E431 N432D424-V428 PolarHBondContact O-N 3.15Å; D424-V428 VanDerWaalsContact O-N 3.14Å; A425-V428 WeakPolarHBondContact O-CB 3.44Å; A425-V428 PolarHBondContact O-N 3.34Å; A425-V428 VanDerWaalsContact O-N 3.15Å; V428-K430 VanDerWaalsContact C-N 3.29Å; V428-K430 PolarHBondContact O-N 2.68Å; V428-E431 PolarHBondContact O-N 3.3Å; V428-N432 WeakPolarHBondContact CG1-ND2 3.42Å; V428-N432 PolarHBondContact O-N 3.37Å; V428-N432 PolarHBondContact O-ND2 2.82Å; V428-N432 VanDerWaalsContact O-ND2 3.12Å
429C80.6Confident84.6Confident16 Ų1688.6 Ų88.611%0.10844%0.439CS..Hα-helixtrans-59.4-40.2174.9-65.10000112.1A425 W426 A427 E431 N432 F433A425-C429 PolarHBondContact O-N 3.39Å; A425-C429 PolarHBondContact O-SG 3.3Å; A425-C429 VanDerWaalsContact O-SG 3.41Å; W426-C429 HydrophobicContact CE3-CB 4.13Å; W426-C429 PolarHBondContact O-N 2.69Å; A427-C429 VanDerWaalsContact C-N 3.33Å; A427-C429 PolarHBondContact O-N 2.92Å; C429-E431 VanDerWaalsContact C-N 3.28Å; C429-E431 PolarHBondContact O-N 3.11Å; C429-N432 PolarHBondContact O-N 3.22Å; C429-F433 HydrophobicContact CB-CD2 4.2Å; C429-F433 WeakPolarHBondContact O-CD2 3.49Å; C429-F433 PolarHBondContact O-N 3.01Å; C429-F433 VanDerWaalsContact O-N 3.07Å
430K84.9Confident85.8Confident88 Ų8881.6 Ų81.638%0.38341%0.406SS..Hα-helixtrans-65.9-28.7179.2-77176-65.1-178.70114W426 A427 V428 M435W426-K430 WeakPolarHBondContact O-CE 3.37Å; W426-K430 WeakPolarHBondContact O-CG 3.24Å; W426-K430 PolarHBondContact O-N 3.49Å; A427-K430 VanDerWaalsContact CA-CE 3.5Å; A427-K430 WeakPolarHBondContact O-CB 3.13Å; A427-K430 PolarHBondContact O-N 3.21Å; A427-K430 VanDerWaalsContact O-N 3.16Å; V428-K430 VanDerWaalsContact C-N 3.29Å; V428-K430 PolarHBondContact O-N 2.68Å; K430-M435 HydrophobicContact CB-CG 4.27Å; K430-M435 HydrophobicContact CG-CE 3.55Å; K430-M435 HydrophobicContact CG-CG 4.15Å; K430-M435 HydrophobicContact CG-SD 4.42Å
431E86.9Confident86.8Confident163 Ų16375.7 Ų75.776%0.76238%0.381SS*.Hα-helixtrans-83.7-29.3-179.6-69.9-178.7178.400112.3A427 V428 C429A427-E431 PolarHBondContact O-N 3.34Å; V428-E431 PolarHBondContact O-N 3.3Å; C429-E431 VanDerWaalsContact C-N 3.28Å; C429-E431 PolarHBondContact O-N 3.11Å
432N85.9Confident87.6Confident102 Ų10278.5 Ų78.555%0.54539%0.389SS..Hα-helixtrans-104.5-18.5-169.4-66.9-39.6000115.1V428 C429V428-N432 WeakPolarHBondContact CG1-ND2 3.42Å; V428-N432 PolarHBondContact O-N 3.37Å; V428-N432 PolarHBondContact O-ND2 2.82Å; V428-N432 VanDerWaalsContact O-ND2 3.12Å; C429-N432 PolarHBondContact O-N 3.22Å
433F91.3Very high88.2Confident28 Ų2878.7 Ų78.712%0.12339%0.387CS..SBendtrans-125.5161-175.1-56.9-67.7000112.3C429 M435 L440 E447 L448 M451C429-F433 HydrophobicContact CB-CD2 4.2Å; C429-F433 WeakPolarHBondContact O-CD2 3.49Å; C429-F433 PolarHBondContact O-N 3.01Å; C429-F433 VanDerWaalsContact O-N 3.07Å; F433-M435 WeakPolarHBondContact O-CG 3.42Å; F433-M435 PolarHBondContact O-N 3.05Å; F433-L440 HydrophobicContact CB-CD1 4.07Å; F433-E447 HydrophobicContact CD1-CB 3.8Å; F433-E447 HydrophobicContact CE1-CB 4.27Å; F433-L448 HydrophobicContact CD1-CB 4.3Å; F433-L448 HydrophobicContact CD2-CB 4.45Å; F433-L448 HydrophobicContact CD2-CD1 4.28Å; F433-L448 HydrophobicContact CE1-CB 4.07Å; F433-L448 HydrophobicContact CE2-CB 4.24Å; F433-L448 HydrophobicContact CE2-CD1 4.11Å; F433-L448 HydrophobicContact CE2-CG 4.06Å; F433-L448 HydrophobicContact CG-CB 4.48Å; F433-L448 HydrophobicContact CZ-CB 4.04Å; F433-L448 HydrophobicContact CZ-CG 4.1Å; F433-M451 HydrophobicContact CE1-CB 4.48Å; F433-M451 HydrophobicContact CE1-CE 4Å; F433-M451 HydrophobicContact CE1-SD 4.33Å; F433-M451 HydrophobicContact CZ-CE 3.91Å; F433-M451 HydrophobicContact CZ-SD 3.77Å
434D92.7Very high88.8Confident71 Ų7171.3 Ų71.338%0.3835%0.353SS..  trans-64.6117.8178.8-176.549.2000112.4T441D434-T441 VanDerWaalsContact CG-OG1 3.32Å; D434-T441 PolarHBondContact O-N 3.12Å; D434-T441 VanDerWaalsContact O-N 3.14Å; D434-T441 PolarHBondContact O-OG1 2.93Å; D434-T441 VanDerWaalsContact O-OG1 3.1Å; D434-T441 VanDerWaalsContact OD2-CB 3.31Å; D434-T441 WeakPolarHBondContact OD2-CB 2.92Å; D434-T441 VanDerWaalsContact OD2-CG2 3.23Å; D434-T441 WeakPolarHBondContact OD2-CG2 3.34Å; D434-T441 PolarHBondContact OD2-OG1 2.95Å
435M92.4Very high89.4Confident40 Ų4065.2 Ų65.220%0.19732%0.32CS..EExtended strand (participates in β ladder)trans-122.2146.9179.9-57-60.5-82.200111.8W426 K430 F433 Q439 L440W426-M435 HydrophobicContact CH2-CE 4.17Å; W426-M435 HydrophobicContact CZ2-CE 3.57Å; K430-M435 HydrophobicContact CB-CG 4.27Å; K430-M435 HydrophobicContact CG-CE 3.55Å; K430-M435 HydrophobicContact CG-CG 4.15Å; K430-M435 HydrophobicContact CG-SD 4.42Å; F433-M435 WeakPolarHBondContact O-CG 3.42Å; F433-M435 PolarHBondContact O-N 3.05Å; M435-Q439 CarbonylContact C-O 3.56Å; M435-Q439 VanDerWaalsContact CA-O 3.31Å; M435-Q439 WeakPolarHBondContact CA-O 3.29Å; M435-L440 HydrophobicContact CE-CB 4.11Å; M435-L440 WeakPolarHBondContact SD-CA 3.34Å; M435-L440 HydrophobicContact SD-CB 3.88Å; M435-L440 HydrophobicContact SD-CD1 3.53Å; M435-L440 VanDerWaalsContact SD-CD1 3.53Å; M435-L440 HydrophobicContact SD-CG 4.34Å
436R93.6Very high90.1Very high163 Ų16363.8 Ų63.862%0.61531%0.306SS*.EExtended strand (participates in β ladder)trans-133.3133169-175.1-179.8-67.4173.70.4109.7L403 N438 Q439 T441L403-R436 HydrophobicContact CD1-CB 4.23Å; L403-R436 HydrophobicContact CD1-CG 4.32Å; L403-R436 HydrophobicContact CD2-CB 3.87Å; R436-N438 PolarHBondContact O-N 3.23Å; R436-Q439 PolarHBondContact N-O 3.14Å; R436-Q439 WeakPolarHBondContact O-CB 2.95Å; R436-Q439 PolarHBondContact O-N 3.1Å; R436-Q439 VanDerWaalsContact O-O 3.13Å; R436-T441 HydrophobicContact CB-CG2 3.82Å
437K89.9Confident90.4Very high176 Ų17666.4 Ų66.477%0.76532%0.319SS*.THydrogen-bonded Turntrans51.936.7-176.8-60.5175.2-179.7176.30113.2Q439K437-Q439 PolarHBondContact O-N 2.84Å
438N89.4Confident90.7Very high125 Ų12565.8 Ų65.867%0.66831%0.311SS*.THydrogen-bonded Turntrans61.920.9-174.6-55.5-31.3000115.1R436R436-N438 PolarHBondContact O-N 3.23Å
439Q93.7Very high90.9Very high45 Ų4562.1 Ų62.121%0.2129%0.289CS..EExtended strand (participates in β ladder)trans-119.9149.6176.5-63.5176.9-22.900109.5L403 L404 M435 R436 K437L403-Q439 HydrophobicContact CB-CB 3.7Å; L403-Q439 VanDerWaalsContact CB-OE1 3.3Å; L403-Q439 HydrophobicContact CD1-CB 4.33Å; L404-Q439 CarbonylContact O-C 3.48Å; L404-Q439 WeakPolarHBondContact O-CA 3.36Å; L404-Q439 WeakPolarHBondContact O-CB 3.4Å; M435-Q439 CarbonylContact C-O 3.56Å; M435-Q439 VanDerWaalsContact CA-O 3.31Å; M435-Q439 WeakPolarHBondContact CA-O 3.29Å; R436-Q439 PolarHBondContact N-O 3.14Å; R436-Q439 WeakPolarHBondContact O-CB 2.95Å; R436-Q439 PolarHBondContact O-N 3.1Å; R436-Q439 VanDerWaalsContact O-O 3.13Å; K437-Q439 PolarHBondContact O-N 2.84Å
440L94.4Very high91.3Very high0 Ų063.5 Ų63.50%030%0.295CS..EExtended strand (participates in β ladder)trans-75.5128.4-175.5-175.668.5000109.9L403 L404 Y409 W426 F433 M435 F445 L448L403-L440 CarbonylContact C-O 3.57Å; L403-L440 WeakPolarHBondContact CA-O 3.26Å; L404-L440 HydrophobicContact CB-CB 4.22Å; L404-L440 HydrophobicContact CD1-CD2 4.45Å; L404-L440 PolarHBondContact N-O 3.49Å; L404-L440 PolarHBondContact O-N 2.88Å; Y409-L440 HydrophobicContact CD2-CD2 4.07Å; Y409-L440 HydrophobicContact CE2-CD2 4.13Å; W426-L440 HydrophobicContact CH2-CB 3.8Å; W426-L440 HydrophobicContact CZ2-CB 4.43Å; F433-L440 HydrophobicContact CB-CD1 4.07Å; M435-L440 HydrophobicContact CE-CB 4.11Å; M435-L440 WeakPolarHBondContact SD-CA 3.34Å; M435-L440 HydrophobicContact SD-CB 3.88Å; M435-L440 HydrophobicContact SD-CD1 3.53Å; M435-L440 VanDerWaalsContact SD-CD1 3.53Å; M435-L440 HydrophobicContact SD-CG 4.34Å; L440-F445 HydrophobicContact CD2-CB 4.01Å; L440-F445 HydrophobicContact CD2-CD2 4.1Å; L440-F445 HydrophobicContact CG-CB 4.33Å; L440-L448 HydrophobicContact CD2-CD1 4.47Å
441T96.6Very high91.3Very high9 Ų963.8 Ų63.86%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-80.1166.3177.372.40000110.4L403 D434 R436 Q443 G444 F445L403-T441 HydrophobicContact CD2-CG2 3.91Å; D434-T441 VanDerWaalsContact CG-OG1 3.32Å; D434-T441 PolarHBondContact O-N 3.12Å; D434-T441 VanDerWaalsContact O-N 3.14Å; D434-T441 PolarHBondContact O-OG1 2.93Å; D434-T441 VanDerWaalsContact O-OG1 3.1Å; D434-T441 VanDerWaalsContact OD2-CB 3.31Å; D434-T441 WeakPolarHBondContact OD2-CB 2.92Å; D434-T441 VanDerWaalsContact OD2-CG2 3.23Å; D434-T441 WeakPolarHBondContact OD2-CG2 3.34Å; D434-T441 PolarHBondContact OD2-OG1 2.95Å; R436-T441 HydrophobicContact CB-CG2 3.82Å; T441-Q443 PolarHBondContact O-N 2.87Å; T441-Q443 PolarHBondContact OG1-N 3.08Å; T441-G444 PolarHBondContact O-N 3.48Å; T441-G444 PolarHBondContact OG1-N 3.23Å; T441-F445 PolarHBondContact O-N 3.38Å
442R94.6Very high91.1Very high77 Ų7758.6 Ų58.629%0.29127%0.274SS..Hα-helixtrans-55.9-38.7170.5-170.7178.9-62.2-138.4-3.9112F393 E394 F445 M446F393-R442 HydrophobicContact CD1-CB 4.21Å; F393-R442 HydrophobicContact CD1-CG 4.16Å; F393-R442 HydrophobicContact CD2-CB 4.17Å; F393-R442 HydrophobicContact CD2-CG 4.26Å; F393-R442 HydrophobicContact CE1-CB 4.04Å; F393-R442 HydrophobicContact CE1-CG 4.49Å; F393-R442 HydrophobicContact CE2-CB 3.97Å; F393-R442 VanDerWaalsContact CE2-N 3.33Å; F393-R442 HydrophobicContact CG-CB 4.28Å; F393-R442 HydrophobicContact CG-CG 4.05Å; F393-R442 HydrophobicContact CZ-CB 3.91Å; E394-R442 IonicContact OE2-CZ 2.71Å; E394-R442 IonicContact OE2-NH2 3.95Å; E394-R442 PolarHBondContact OE2-NH2 3.22Å; R442-F445 PolarHBondContact O-N 3.48Å; R442-M446 HydrophobicContact CG-CE 4.36Å; R442-M446 WeakPolarHBondContact O-CG 3.41Å; R442-M446 PolarHBondContact O-N 2.78Å; R442-M446 VanDerWaalsContact O-N 3.14Å
443Q94.5Very high90.9Very high100 Ų10053.8 Ų53.847%0.46725%0.249SC..Hα-helixtrans-68.4-45.3178.7-179.757.631.200111.1T441 F445 M446 E447T441-Q443 PolarHBondContact O-N 2.87Å; T441-Q443 PolarHBondContact OG1-N 3.08Å; Q443-F445 VanDerWaalsContact C-N 3.3Å; Q443-F445 PolarHBondContact O-N 3.48Å; Q443-M446 WeakPolarHBondContact O-CB 3.46Å; Q443-M446 PolarHBondContact O-N 2.92Å; Q443-M446 VanDerWaalsContact O-N 3.11Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.28Å; Q443-E447 PolarHBondContact NE2-OE1 3.42Å; Q443-E447 WeakPolarHBondContact O-CG 3.5Å; Q443-E447 PolarHBondContact O-N 3.41Å
444G93.1Very high90.3Very high0 Ų055.3 Ų55.30%026%0.26CS..Hα-helixtrans-61.8-37.7175.900000112.6T441 M446 E447 L448T441-G444 PolarHBondContact O-N 3.48Å; T441-G444 PolarHBondContact OG1-N 3.23Å; G444-M446 VanDerWaalsContact C-N 3.34Å; G444-M446 PolarHBondContact O-N 2.92Å; G444-E447 PolarHBondContact O-N 3.42Å; G444-L448 WeakPolarHBondContact O-CB 3.45Å; G444-L448 PolarHBondContact O-N 2.95Å
445F94.1Very high89.5Confident0 Ų057 Ų570%027%0.266CS..Hα-helixtrans-62.6-38.9173.6-177.5-103.2000112.5L389 I392 F393 I396 L404 Y409 F412 L440 T441 R442 Q443 N449L389-F445 HydrophobicContact CB-CE1 4.3Å; L389-F445 HydrophobicContact CD2-CE1 4.18Å; I392-F445 HydrophobicContact CG2-CE1 4.16Å; I392-F445 HydrophobicContact CG2-CZ 3.83Å; F393-F445 HydrophobicContact CB-CD1 4.13Å; F393-F445 HydrophobicContact CB-CE1 4.38Å; F393-F445 HydrophobicContact CD2-CB 3.78Å; F393-F445 HydrophobicContact CD2-CD1 4.03Å; F393-F445 AromaticContact CD2-CG 3.92Å; F393-F445 HydrophobicContact CD2-CG 3.92Å; F393-F445 HydrophobicContact CE2-CB 4.17Å; I396-F445 HydrophobicContact CD1-CE2 3.97Å; I396-F445 HydrophobicContact CD1-CZ 4.18Å; L404-F445 HydrophobicContact CD1-CD2 3.97Å; L404-F445 HydrophobicContact CD1-CG 4.38Å; Y409-F445 HydrophobicContact CE2-CD2 4.5Å; F412-F445 HydrophobicContact CD1-CE2 4.45Å; F412-F445 HydrophobicContact CE1-CE2 4.1Å; F412-F445 HydrophobicContact CE1-CZ 4.47Å; F412-F445 HydrophobicContact CE2-CZ 4.28Å; F412-F445 HydrophobicContact CZ-CE2 4.17Å; F412-F445 HydrophobicContact CZ-CZ 4.07Å; L440-F445 HydrophobicContact CD2-CB 4.01Å; L440-F445 HydrophobicContact CD2-CD2 4.1Å; L440-F445 HydrophobicContact CG-CB 4.33Å; T441-F445 PolarHBondContact O-N 3.38Å; R442-F445 PolarHBondContact O-N 3.48Å; Q443-F445 VanDerWaalsContact C-N 3.3Å; Q443-F445 PolarHBondContact O-N 3.48Å; F445-N449 WeakPolarHBondContact CZ-ND2 3.47Å; F445-N449 PolarHBondContact O-N 3.27Å; F445-N449 VanDerWaalsContact O-N 3.15Å; F445-N449 PolarHBondContact O-ND2 3.27Å
446M92.8Very high88.6Confident12 Ų1261.4 Ų61.46%0.05928%0.284CS..Hα-helixtrans-66-42.2174.6-65.1-72.7165.500111.9R386 L389 S390 R442 Q443 G444 L448 N449 L450R386-M446 WeakPolarHBondContact O-CE 3.35Å; L389-M446 HydrophobicContact CB-CE 3.62Å; L389-M446 HydrophobicContact CB-SD 3.62Å; L389-M446 HydrophobicContact CD1-SD 4Å; S390-M446 VanDerWaalsContact N-CE 3.32Å; S390-M446 WeakPolarHBondContact OG-CE 3.5Å; R442-M446 HydrophobicContact CG-CE 4.36Å; R442-M446 WeakPolarHBondContact O-CG 3.41Å; R442-M446 PolarHBondContact O-N 2.78Å; R442-M446 VanDerWaalsContact O-N 3.14Å; Q443-M446 WeakPolarHBondContact O-CB 3.46Å; Q443-M446 PolarHBondContact O-N 2.92Å; Q443-M446 VanDerWaalsContact O-N 3.11Å; G444-M446 VanDerWaalsContact C-N 3.34Å; G444-M446 PolarHBondContact O-N 2.92Å; M446-L448 VanDerWaalsContact C-N 3.34Å; M446-N449 PolarHBondContact O-N 3.38Å; M446-L450 WeakPolarHBondContact O-CB 3.2Å; M446-L450 PolarHBondContact O-N 3.2Å
447E90.8Very high87.6Confident67 Ų6761.4 Ų61.431%0.31330%0.296SS..Hα-helixtrans-64.3-39.4178.3-71.8164.6-174.300111.8F433 Q443 G444 L450 M451F433-E447 HydrophobicContact CD1-CB 3.8Å; F433-E447 HydrophobicContact CE1-CB 4.27Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.28Å; Q443-E447 PolarHBondContact NE2-OE1 3.42Å; Q443-E447 WeakPolarHBondContact O-CG 3.5Å; Q443-E447 PolarHBondContact O-N 3.41Å; G444-E447 PolarHBondContact O-N 3.42Å; E447-L450 PolarHBondContact O-N 3.07Å; E447-M451 WeakPolarHBondContact O-CB 3.48Å; E447-M451 PolarHBondContact O-N 2.95Å
448L89.1Confident86.8Confident21 Ų2153.6 Ų53.611%0.1127%0.266CS..Hα-helixtrans-62-50175.5-170.5159.7000111.1Y409 F433 L440 G444 M446 L450 M451 E452Y409-L448 HydrophobicContact CE2-CD1 4.18Å; F433-L448 HydrophobicContact CD1-CB 4.3Å; F433-L448 HydrophobicContact CD2-CB 4.45Å; F433-L448 HydrophobicContact CD2-CD1 4.28Å; F433-L448 HydrophobicContact CE1-CB 4.07Å; F433-L448 HydrophobicContact CE2-CB 4.24Å; F433-L448 HydrophobicContact CE2-CD1 4.11Å; F433-L448 HydrophobicContact CE2-CG 4.06Å; F433-L448 HydrophobicContact CG-CB 4.48Å; F433-L448 HydrophobicContact CZ-CB 4.04Å; F433-L448 HydrophobicContact CZ-CG 4.1Å; L440-L448 HydrophobicContact CD2-CD1 4.47Å; G444-L448 WeakPolarHBondContact O-CB 3.45Å; G444-L448 PolarHBondContact O-N 2.95Å; M446-L448 VanDerWaalsContact C-N 3.34Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 PolarHBondContact O-N 2.87Å; L448-M451 WeakPolarHBondContact O-CB 3.2Å; L448-M451 PolarHBondContact O-N 3.02Å; L448-E452 PolarHBondContact O-N 3.33Å; L448-E452 VanDerWaalsContact O-N 3.08Å
449N88.4Confident86.3Confident2 Ų251.3 Ų51.31%0.01125%0.254CS..Hα-helixtrans-67.3-31.9177.7-77.7-98.5000112.1L389 F445 M446 A453L389-N449 HydrophobicContact CD1-CB 3.74Å; L389-N449 HydrophobicContact CD2-CB 4.18Å; L389-N449 WeakPolarHBondContact CD2-OD1 3.4Å; F445-N449 WeakPolarHBondContact CZ-ND2 3.47Å; F445-N449 PolarHBondContact O-N 3.27Å; F445-N449 VanDerWaalsContact O-N 3.15Å; F445-N449 PolarHBondContact O-ND2 3.27Å; M446-N449 PolarHBondContact O-N 3.38Å; N449-A453 VanDerWaalsContact O-CB 3.27Å; N449-A453 WeakPolarHBondContact O-CB 3.41Å; N449-A453 PolarHBondContact O-N 3Å
450L87.7Confident85.8Confident45 Ų4551.2 Ų51.224%0.23626%0.257CS..Hα-helixtrans-66.3-42.5172.3174.362.6000111L381 M446 E447 L448 E452 A453 T454L381-L450 HydrophobicContact CD1-CB 4.11Å; L381-L450 HydrophobicContact CD2-CB 4.38Å; L381-L450 HydrophobicContact CD2-CD1 3.92Å; L381-L450 HydrophobicContact CG-CB 4.08Å; L381-L450 HydrophobicContact CG-CD1 3.8Å; L381-L450 HydrophobicContact CG-CG 4.48Å; M446-L450 WeakPolarHBondContact O-CB 3.2Å; M446-L450 PolarHBondContact O-N 3.2Å; E447-L450 PolarHBondContact O-N 3.07Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 PolarHBondContact O-N 2.87Å; L450-E452 PolarHBondContact O-N 3.31Å; L450-A453 WeakPolarHBondContact O-CB 3.28Å; L450-A453 PolarHBondContact O-N 3.17Å; L450-T454 HydrophobicContact CD1-CG2 3.92Å; L450-T454 HydrophobicContact CG-CG2 4.49Å; L450-T454 WeakPolarHBondContact O-CG2 3.26Å; L450-T454 PolarHBondContact O-N 3.27Å; L450-T454 PolarHBondContact O-OG1 2.8Å
451M85.5Confident85.2Confident94 Ų9453.3 Ų53.346%0.46327%0.274SS..Hα-helixtrans-56-53175.3-178.7176.8-76.300110F433 E447 L448 A453 T454 E455F433-M451 HydrophobicContact CE1-CB 4.48Å; F433-M451 HydrophobicContact CE1-CE 4Å; F433-M451 HydrophobicContact CE1-SD 4.33Å; F433-M451 HydrophobicContact CZ-CE 3.91Å; F433-M451 HydrophobicContact CZ-SD 3.77Å; E447-M451 WeakPolarHBondContact O-CB 3.48Å; E447-M451 PolarHBondContact O-N 2.95Å; L448-M451 WeakPolarHBondContact O-CB 3.2Å; L448-M451 PolarHBondContact O-N 3.02Å; M451-A453 VanDerWaalsContact C-N 3.3Å; M451-A453 PolarHBondContact O-N 3.42Å; M451-T454 PolarHBondContact O-N 3.09Å; M451-T454 PolarHBondContact O-OG1 3.11Å; M451-E455 WeakPolarHBondContact O-CG 3.36Å; M451-E455 PolarHBondContact O-N 3.05Å
452E82.5Confident84.4Confident54 Ų5455.9 Ų55.925%0.25229%0.287SS..Hα-helixtrans-55-44.1175.3-173.3-178178.400112L448 L450 T454 E455L448-E452 PolarHBondContact O-N 3.33Å; L448-E452 VanDerWaalsContact O-N 3.08Å; L450-E452 PolarHBondContact O-N 3.31Å; E452-T454 PolarHBondContact O-N 3.38Å; E452-E455 WeakPolarHBondContact O-CB 3.38Å; E452-E455 PolarHBondContact O-N 2.79Å
453A80.8Confident84Confident1 Ų152.4 Ų52.41%0.00827%0.274CS..Hα-helixtrans-62.5-25.8178.400000114.3I371 L381 N449 L450 M451 G458 L463I371-A453 HydrophobicContact CG2-CB 3.93Å; L381-A453 HydrophobicContact CD2-CB 3.58Å; N449-A453 VanDerWaalsContact O-CB 3.27Å; N449-A453 WeakPolarHBondContact O-CB 3.41Å; N449-A453 PolarHBondContact O-N 3Å; L450-A453 WeakPolarHBondContact O-CB 3.28Å; L450-A453 PolarHBondContact O-N 3.17Å; M451-A453 VanDerWaalsContact C-N 3.3Å; M451-A453 PolarHBondContact O-N 3.42Å; A453-G458 WeakPolarHBondContact O-CA 3.33Å; A453-L463 HydrophobicContact CB-CD1 3.52Å; A453-L463 HydrophobicContact CB-CG 4.34Å
454T79.3Confident83.7Confident60 Ų6048.9 Ų48.937%0.36826%0.257SS..Hα-helixtrans-94.8-7.4-179.160.30000113.4L379 L450 M451 E452L379-T454 HydrophobicContact CB-CG2 3.77Å; L450-T454 HydrophobicContact CD1-CG2 3.92Å; L450-T454 HydrophobicContact CG-CG2 4.49Å; L450-T454 WeakPolarHBondContact O-CG2 3.26Å; L450-T454 PolarHBondContact O-N 3.27Å; L450-T454 PolarHBondContact O-OG1 2.8Å; M451-T454 PolarHBondContact O-N 3.09Å; M451-T454 PolarHBondContact O-OG1 3.11Å; E452-T454 PolarHBondContact O-N 3.38Å
455E76.8Confident83.2Confident105 Ų10552.6 Ų52.649%0.49128%0.279SS..G310 helixtrans-66.9156.6172.3-64.9-172.1177.900111.2M451 E452 D457 G458M451-E455 WeakPolarHBondContact O-CG 3.36Å; M451-E455 PolarHBondContact O-N 3.05Å; E452-E455 WeakPolarHBondContact O-CB 3.38Å; E452-E455 PolarHBondContact O-N 2.79Å; E455-D457 VanDerWaalsContact C-N 3.31Å; E455-D457 PolarHBondContact O-N 3.32Å; E455-G458 PolarHBondContact O-N 2.81Å
456K72.5Confident82.9Confident133 Ų13353.1 Ų53.158%0.57828%0.283SS*.G310 helixtrans51.442.8177-55.9172.2-171.4157.80114.4G458 D459 D462K456-G458 PolarHBondContact O-N 3.23Å; K456-D459 HydrophobicContact CB-CB 4.28Å; K456-D462 IonicContact NZ-OD1 2.98Å; K456-D462 IonicContact NZ-OD2 2.68Å; K456-D462 PolarHBondContact NZ-OD2 3.32Å
457D73.6Confident82.8Confident164 Ų16452.7 Ų52.788%0.87728%0.281SS*.G310 helixtrans62.123.8-179-62.9-45.6000114.7E455E455-D457 VanDerWaalsContact C-N 3.31Å; E455-D457 PolarHBondContact O-N 3.32Å
458G72.1Confident82.8Confident12 Ų1252.5 Ų52.512%0.12428%0.28CS..THydrogen-bonded Turntrans86.235.617800000114I371 A453 E455 K456 P460I371-G458 WeakPolarHBondContact CD1-O 3.39Å; A453-G458 WeakPolarHBondContact O-CA 3.33Å; E455-G458 PolarHBondContact O-N 2.81Å; K456-G458 PolarHBondContact O-N 3.23Å; G458-P460 VanDerWaalsContact O-CD 3.26Å; G458-P460 WeakPolarHBondContact O-CD 3.26Å
459D79.8Confident82.7Confident77 Ų7753 Ų5341%0.41229%0.285SS..  trans-73.1113.3173.5-175.54.2000110.2K456 A461K456-D459 HydrophobicContact CB-CB 4.28Å; D459-A461 PolarHBondContact O-N 2.83Å; D459-A461 WeakPolarHBondContact OD1-CB 3.25Å; D459-A461 PolarHBondContact OD1-N 2.88Å; D459-A461 VanDerWaalsContact OD1-N 3.11Å
460P82.4Confident82.8Confident43 Ų4353 Ų5328%0.27929%0.285SS..THydrogen-bonded Turntrans-77.72.2-177.734.1-36.9000113.5L370 G458 D462 L463 W464L370-P460 HydrophobicContact CB-CB 4.35Å; L370-P460 HydrophobicContact CD1-CB 3.97Å; L370-P460 HydrophobicContact CG-CB 4.4Å; G458-P460 VanDerWaalsContact O-CD 3.26Å; G458-P460 WeakPolarHBondContact O-CD 3.26Å; P460-D462 PolarHBondContact O-N 2.86Å; P460-L463 PolarHBondContact O-N 3.49Å; P460-W464 PolarHBondContact O-N 3.33Å
461A82.4Confident83Confident44 Ų4451 Ų5136%0.36428%0.275SS..Hα-helixtrans-56.5-45.7-174.900000113D459 W464 V465D459-A461 PolarHBondContact O-N 2.83Å; D459-A461 WeakPolarHBondContact OD1-CB 3.25Å; D459-A461 PolarHBondContact OD1-N 2.88Å; D459-A461 VanDerWaalsContact OD1-N 3.11Å; A461-W464 PolarHBondContact O-N 2.99Å; A461-V465 PolarHBondContact O-N 3.44Å; A461-V465 VanDerWaalsContact O-N 3.16Å
462D80.1Confident83.3Confident62 Ų6246.8 Ų46.833%0.33225%0.254SS..Hα-helixtrans-67.6-42.3-178.4-65.2-29000110.8K456 P460 W464 V465 T466K456-D462 IonicContact NZ-OD1 2.98Å; K456-D462 IonicContact NZ-OD2 2.68Å; K456-D462 PolarHBondContact NZ-OD2 3.32Å; P460-D462 PolarHBondContact O-N 2.86Å; D462-W464 VanDerWaalsContact C-N 3.31Å; D462-W464 PolarHBondContact O-N 3.25Å; D462-V465 WeakPolarHBondContact O-CB 3.49Å; D462-V465 PolarHBondContact O-N 3.14Å; D462-V465 VanDerWaalsContact O-N 3.11Å; D462-T466 PolarHBondContact O-N 3.3Å; D462-T466 VanDerWaalsContact O-N 3.12Å
463L85.4Confident83.6Confident4 Ų445 Ų452%0.02125%0.246CC..Hα-helixtrans-58.7-40.2172.1-74.8177.1000112.8L370 L385 A453 P460 V465 T466 L467L370-L463 HydrophobicContact CD1-CB 3.77Å; L370-L463 HydrophobicContact CD1-CD1 4.09Å; L385-L463 HydrophobicContact CD2-CD1 4.17Å; A453-L463 HydrophobicContact CB-CD1 3.52Å; A453-L463 HydrophobicContact CB-CG 4.34Å; P460-L463 PolarHBondContact O-N 3.49Å; L463-V465 VanDerWaalsContact C-N 3.3Å; L463-V465 PolarHBondContact O-N 2.93Å; L463-T466 WeakPolarHBondContact O-CB 3.43Å; L463-T466 PolarHBondContact O-N 3.47Å; L463-L467 VanDerWaalsContact O-CG 3.26Å; L463-L467 WeakPolarHBondContact O-CG 3.26Å; L463-L467 PolarHBondContact O-N 3.27Å
464W87.8Confident84Confident26 Ų2647 Ų4710%0.09826%0.256CS..Hα-helixtrans-64.6-36.1177.4-82.4121.5000112.2S367 V368 L370 P460 A461 D462 T466 L467 E468 H474 L476S367-W464 VanDerWaalsContact OG-CZ2 3.27Å; S367-W464 WeakPolarHBondContact OG-CZ2 3.49Å; V368-W464 WeakPolarHBondContact O-CZ2 3.42Å; L370-W464 HydrophobicContact CD1-CD2 3.88Å; L370-W464 HydrophobicContact CD1-CE3 4.46Å; L370-W464 HydrophobicContact CD1-CG 4.13Å; L370-W464 HydrophobicContact CD1-CZ2 4.02Å; L370-W464 HydrophobicContact CD2-CH2 3.67Å; L370-W464 HydrophobicContact CD2-CZ2 3.56Å; L370-W464 HydrophobicContact CD2-CZ3 4.28Å; L370-W464 HydrophobicContact CG-CD2 4.46Å; L370-W464 HydrophobicContact CG-CH2 4.28Å; L370-W464 HydrophobicContact CG-CZ2 3.67Å; P460-W464 PolarHBondContact O-N 3.33Å; A461-W464 PolarHBondContact O-N 2.99Å; D462-W464 VanDerWaalsContact C-N 3.31Å; D462-W464 PolarHBondContact O-N 3.25Å; W464-T466 VanDerWaalsContact C-N 3.33Å; W464-L467 HydrophobicContact CD2-CD1 4.4Å; W464-L467 HydrophobicContact CE3-CB 4.18Å; W464-L467 HydrophobicContact CE3-CD1 3.73Å; W464-L467 HydrophobicContact CH2-CD1 4.49Å; W464-L467 HydrophobicContact CZ3-CD1 3.76Å; W464-L467 PolarHBondContact O-N 3.38Å; W464-E468 WeakPolarHBondContact O-CB 3.3Å; W464-E468 WeakPolarHBondContact O-CG 3.35Å; W464-E468 PolarHBondContact O-N 3.43Å; W464-H474 AromaticContact CE3-CD2 3.8Å; W464-H474 HydrophobicContact CH2-CB 4.24Å; W464-H474 HydrophobicContact CZ3-CB 4.39Å; W464-H474 AromaticContact CZ3-CD2 3.96Å; W464-L476 HydrophobicContact CH2-CD2 4.09Å; W464-L476 HydrophobicContact CZ3-CD2 4.1Å
465V84.3Confident84.4Confident78 Ų7848.7 Ų48.747%0.47326%0.261SS..Hα-helixtrans-62-44.4173.41750000110.4A461 D462 L463 S469A461-V465 PolarHBondContact O-N 3.44Å; A461-V465 VanDerWaalsContact O-N 3.16Å; D462-V465 WeakPolarHBondContact O-CB 3.49Å; D462-V465 PolarHBondContact O-N 3.14Å; D462-V465 VanDerWaalsContact O-N 3.11Å; L463-V465 VanDerWaalsContact C-N 3.3Å; L463-V465 PolarHBondContact O-N 2.93Å; V465-S469 VanDerWaalsContact O-CB 3.26Å; V465-S469 WeakPolarHBondContact O-CB 3.39Å; V465-S469 PolarHBondContact O-N 3.25Å; V465-S469 PolarHBondContact O-OG 3.19Å
466T86.4Confident85.1Confident12 Ų1244.8 Ų44.87%0.07424%0.243CC..Hα-helixtrans-59.8-49175.3-69.50000111.7F412 T416 D462 L463 W464 S469 M470F412-T466 HydrophobicContact CE2-CG2 4.15Å; F412-T466 HydrophobicContact CZ-CG2 3.75Å; T416-T466 HydrophobicContact CG2-CG2 3.93Å; D462-T466 PolarHBondContact O-N 3.3Å; D462-T466 VanDerWaalsContact O-N 3.12Å; L463-T466 WeakPolarHBondContact O-CB 3.43Å; L463-T466 PolarHBondContact O-N 3.47Å; W464-T466 VanDerWaalsContact C-N 3.33Å; T466-S469 PolarHBondContact O-N 2.96Å; T466-M470 WeakPolarHBondContact O-CG 3.49Å; T466-M470 PolarHBondContact O-N 3.01Å
467L91.6Very high85.8Confident2 Ų242.5 Ų42.51%0.0123%0.234CC..Hα-helixtrans-63.5-46.1179.9-69.2174000112.6L370 L385 V388 I392 L463 W464 S469 M470 G471 Y472 L476L370-L467 HydrophobicContact CD1-CD1 3.85Å; L370-L467 HydrophobicContact CD2-CD1 3.92Å; L385-L467 HydrophobicContact CD1-CD1 4.04Å; L385-L467 HydrophobicContact CD1-CD2 4.11Å; V388-L467 HydrophobicContact CG1-CD2 3.53Å; I392-L467 HydrophobicContact CD1-CD2 3.92Å; L463-L467 VanDerWaalsContact O-CG 3.26Å; L463-L467 WeakPolarHBondContact O-CG 3.26Å; L463-L467 PolarHBondContact O-N 3.27Å; W464-L467 HydrophobicContact CD2-CD1 4.4Å; W464-L467 HydrophobicContact CE3-CB 4.18Å; W464-L467 HydrophobicContact CE3-CD1 3.73Å; W464-L467 HydrophobicContact CH2-CD1 4.49Å; W464-L467 HydrophobicContact CZ3-CD1 3.76Å; W464-L467 PolarHBondContact O-N 3.38Å; L467-S469 VanDerWaalsContact C-N 3.32Å; L467-S469 PolarHBondContact O-N 3.08Å; L467-M470 CarbonylContact O-C 3.5Å; L467-M470 PolarHBondContact O-N 3.41Å; L467-G471 PolarHBondContact O-N 3.09Å; L467-G471 VanDerWaalsContact O-N 3.13Å; L467-Y472 WeakPolarHBondContact O-CB 3.39Å; L467-Y472 PolarHBondContact O-N 2.76Å; L467-L476 HydrophobicContact CD1-CD2 3.81Å
468E89.4Confident86.6Confident63 Ų6335.1 Ų35.129%0.29420%0.195SC..Hα-helixtrans-61.1-42.2176.1-76-172.3-172.500111K360 W464 M470 G471 H474K360-E468 IonicContact NZ-OE2 3.25Å; K360-E468 PolarHBondContact NZ-OE2 3.32Å; W464-E468 WeakPolarHBondContact O-CB 3.3Å; W464-E468 WeakPolarHBondContact O-CG 3.35Å; W464-E468 PolarHBondContact O-N 3.43Å; E468-M470 VanDerWaalsContact C-N 3.26Å; E468-M470 PolarHBondContact O-N 3.23Å; E468-G471 WeakPolarHBondContact O-CA 3.44Å; E468-G471 PolarHBondContact O-N 3.35Å; E468-H474 IonicContact OE1-CD2 3.96Å; E468-H474 IonicContact OE1-CE1 2.78Å; E468-H474 IonicContact OE1-NE2 2.9Å; E468-H474 PolarHBondContact OE1-NE2 2.85Å
469S87.4Confident87.4Confident32 Ų3236 Ų3622%0.22420%0.198CC..Hα-helixtrans-65.4-30179.1-59.90000113R415 V465 T466 L467 G471R415-S469 PolarHBondContact NE-O 2.86Å; V465-S469 VanDerWaalsContact O-CB 3.26Å; V465-S469 WeakPolarHBondContact O-CB 3.39Å; V465-S469 PolarHBondContact O-N 3.25Å; V465-S469 PolarHBondContact O-OG 3.19Å; T466-S469 PolarHBondContact O-N 2.96Å; L467-S469 VanDerWaalsContact C-N 3.32Å; L467-S469 PolarHBondContact O-N 3.08Å; S469-G471 VanDerWaalsContact C-N 3.3Å
470M91.8Very high87.9Confident2 Ų234 Ų341%0.0119%0.186CC..THydrogen-bonded Turntrans-83.5-3.3172.3-65.7-53.6-66.700113.5F259 I392 M395 I396 F412 T416 T466 L467 E468 Y472 L478F259-M470 HydrophobicContact CE1-CE 4.12Å; F259-M470 HydrophobicContact CE1-SD 4.41Å; F259-M470 HydrophobicContact CZ-CE 3.99Å; F259-M470 HydrophobicContact CZ-SD 4.47Å; I392-M470 HydrophobicContact CD1-CB 4.1Å; I392-M470 HydrophobicContact CD1-CG 4.14Å; I392-M470 HydrophobicContact CG1-CB 4.26Å; I392-M470 HydrophobicContact CG1-CG 4.36Å; I392-M470 HydrophobicContact CG2-CE 4.16Å; I392-M470 HydrophobicContact CG2-CG 4.5Å; M395-M470 HydrophobicContact SD-CE 3.72Å; I396-M470 HydrophobicContact CG2-CE 3.95Å; F412-M470 HydrophobicContact CD2-CE 4.31Å; F412-M470 HydrophobicContact CD2-CG 4.46Å; F412-M470 HydrophobicContact CD2-SD 3.88Å; F412-M470 HydrophobicContact CE2-CG 4.06Å; F412-M470 HydrophobicContact CE2-SD 4.09Å; T416-M470 HydrophobicContact CG2-CG 4.06Å; T416-M470 HydrophobicContact CG2-SD 4.07Å; T466-M470 WeakPolarHBondContact O-CG 3.49Å; T466-M470 PolarHBondContact O-N 3.01Å; L467-M470 CarbonylContact O-C 3.5Å; L467-M470 PolarHBondContact O-N 3.41Å; E468-M470 VanDerWaalsContact C-N 3.26Å; E468-M470 PolarHBondContact O-N 3.23Å; M470-Y472 HydrophobicContact CB-CD2 4.16Å; M470-Y472 HydrophobicContact CB-CE2 4.4Å; M470-L478 WeakPolarHBondContact O-CD1 3.27Å
471G90.5Very high88.4Confident3 Ų332 Ų323%0.03117%0.173CC..THydrogen-bonded Turntrans93.115.7171.900000115.7L467 E468 S469 V479 E480L467-G471 PolarHBondContact O-N 3.09Å; L467-G471 VanDerWaalsContact O-N 3.13Å; E468-G471 WeakPolarHBondContact O-CA 3.44Å; E468-G471 PolarHBondContact O-N 3.35Å; S469-G471 VanDerWaalsContact C-N 3.3Å; G471-V479 PolarHBondContact O-N 2.88Å; G471-E480 PolarHBondContact O-N 3.11Å
472Y91.5Very high89.1Confident5 Ų529.9 Ų29.92%0.0216%0.155CC..BIsolated β-bridgetrans-86.7141.2173.4-69.7-93.4000111.3V388 E391 I392 L467 M470 E477 L478V388-Y472 HydrophobicContact CB-CE1 4.23Å; V388-Y472 HydrophobicContact CG1-CD1 3.8Å; V388-Y472 HydrophobicContact CG1-CD2 4.03Å; V388-Y472 HydrophobicContact CG1-CE1 3.6Å; V388-Y472 HydrophobicContact CG1-CE2 3.85Å; V388-Y472 HydrophobicContact CG1-CG 4.01Å; V388-Y472 HydrophobicContact CG2-CD1 4.08Å; V388-Y472 HydrophobicContact CG2-CE1 3.81Å; E391-Y472 WeakPolarHBondContact CB-OH 3.32Å; E391-Y472 PolarHBondContact OE2-OH 3.37Å; I392-Y472 HydrophobicContact CD1-CD2 4.21Å; I392-Y472 HydrophobicContact CD1-CE2 3.86Å; I392-Y472 HydrophobicContact CG1-CD2 4.4Å; I392-Y472 HydrophobicContact CG1-CE2 3.59Å; L467-Y472 WeakPolarHBondContact O-CB 3.39Å; L467-Y472 PolarHBondContact O-N 2.76Å; M470-Y472 HydrophobicContact CB-CD2 4.16Å; M470-Y472 HydrophobicContact CB-CE2 4.4Å; Y472-E477 WeakPolarHBondContact CA-O 3.43Å; Y472-L478 HydrophobicContact CD1-CB 4.16Å; Y472-L478 HydrophobicContact CD1-CD1 4.3Å; Y472-L478 HydrophobicContact CD2-CD1 3.73Å; Y472-L478 HydrophobicContact CE1-CB 3.85Å; Y472-L478 HydrophobicContact CE1-CD1 4.08Å; Y472-L478 HydrophobicContact CE2-CD1 3.47Å; Y472-L478 VanDerWaalsContact CE2-CD1 3.47Å; Y472-L478 HydrophobicContact CG-CD1 4.13Å
473N89.3Confident89.8Confident16 Ų1626.9 Ų26.99%0.08614%0.14CC..  trans-87.9177.5170.768.913.4000112M475 L476 E477 V479N473-M475 PolarHBondContact O-N 3.03Å; N473-M475 WeakPolarHBondContact OD1-CA 3.5Å; N473-M475 WeakPolarHBondContact OD1-CB 3.45Å; N473-M475 PolarHBondContact OD1-N 2.86Å; N473-L476 PolarHBondContact O-N 3.42Å; N473-L476 PolarHBondContact OD1-N 3.47Å; N473-E477 PolarHBondContact N-O 3.44Å; N473-E477 WeakPolarHBondContact OD1-CB 3.44Å; N473-E477 PolarHBondContact OD1-N 3.27Å; N473-E477 PolarHBondContact OD1-O 2.83Å; N473-V479 HydrophobicContact CB-CG2 3.87Å
474H89.4Confident90.3Very high44 Ų4426.7 Ų26.720%0.20414%0.139CC..THydrogen-bonded Turntrans-68.5-2179.4-68.9-166.4000114.8F363 V368 W464 E468F363-H474 HydrophobicContact CD1-CB 4.18Å; F363-H474 HydrophobicContact CE1-CB 3.89Å; F363-H474 AromaticContact CE1-CG 3.97Å; V368-H474 PolarHBondContact N-O 3.37Å; W464-H474 AromaticContact CE3-CD2 3.8Å; W464-H474 HydrophobicContact CH2-CB 4.24Å; W464-H474 HydrophobicContact CZ3-CB 4.39Å; W464-H474 AromaticContact CZ3-CD2 3.96Å; E468-H474 IonicContact OE1-CD2 3.96Å; E468-H474 IonicContact OE1-CE1 2.78Å; E468-H474 IonicContact OE1-NE2 2.9Å; E468-H474 PolarHBondContact OE1-NE2 2.85Å
475M88.8Confident90.7Very high96 Ų9627.2 Ų27.247%0.47314%0.142SC..THydrogen-bonded Turntrans-99.37.4170.7-62.2-61.1-56.800112.4V368 N473 E477V368-M475 HydrophobicContact CG2-CE 4.41Å; V368-M475 HydrophobicContact CG2-SD 4.49Å; N473-M475 PolarHBondContact O-N 3.03Å; N473-M475 WeakPolarHBondContact OD1-CA 3.5Å; N473-M475 WeakPolarHBondContact OD1-CB 3.45Å; N473-M475 PolarHBondContact OD1-N 2.86Å; M475-E477 HydrophobicContact CB-CG 4.11Å; M475-E477 PolarHBondContact O-N 3.15Å
476L90Very high91.4Very high22 Ų2223.5 Ų23.512%0.11512%0.119CC..SBendtrans60.331.3-174.9-63.9-178.3000113.2V368 L370 E384 V388 W464 L467 N473V368-L476 HydrophobicContact CB-CD1 4.44Å; V368-L476 HydrophobicContact CB-CG 4.44Å; V368-L476 HydrophobicContact CG1-CD1 3.95Å; V368-L476 HydrophobicContact CG1-CG 4.47Å; L370-L476 HydrophobicContact CD2-CD1 4.41Å; L370-L476 HydrophobicContact CD2-CD2 3.96Å; E384-L476 HydrophobicContact CB-CD1 3.75Å; V388-L476 HydrophobicContact CG2-CB 3.85Å; V388-L476 HydrophobicContact CG2-CD1 4.36Å; V388-L476 HydrophobicContact CG2-CD2 4.18Å; V388-L476 HydrophobicContact CG2-CG 4.35Å; W464-L476 HydrophobicContact CH2-CD2 4.09Å; W464-L476 HydrophobicContact CZ3-CD2 4.1Å; L467-L476 HydrophobicContact CD1-CD2 3.81Å; N473-L476 PolarHBondContact O-N 3.42Å; N473-L476 PolarHBondContact OD1-N 3.47Å
477E88.1Confident91.9Very high86 Ų8623.5 Ų23.540%0.40212%0.119SC..  trans-102.6130.3174-54.7-173.9131.300110.4K296 Y472 N473 M475 V479K296-E477 IonicContact NZ-OE1 3.72Å; K296-E477 PolarHBondContact NZ-OE1 3.34Å; Y472-E477 WeakPolarHBondContact CA-O 3.43Å; N473-E477 PolarHBondContact N-O 3.44Å; N473-E477 WeakPolarHBondContact OD1-CB 3.44Å; N473-E477 PolarHBondContact OD1-N 3.27Å; N473-E477 PolarHBondContact OD1-O 2.83Å; M475-E477 HydrophobicContact CB-CG 4.11Å; M475-E477 PolarHBondContact O-N 3.15Å; E477-V479 HydrophobicContact CB-CG1 4.03Å; E477-V479 PolarHBondContact O-N 2.96Å
478L90.1Very high92.1Very high8 Ų823.4 Ų23.44%0.04212%0.119CC..BIsolated β-bridgetrans-75107.1175.1-169.174.9000109.9W300 M395 M470 Y472 A481 P483W300-L478 HydrophobicContact CD2-CD2 4.16Å; W300-L478 HydrophobicContact CE3-CB 4.12Å; W300-L478 HydrophobicContact CE3-CD2 4.04Å; W300-L478 HydrophobicContact CE3-CG 4.4Å; W300-L478 HydrophobicContact CH2-CB 4.09Å; W300-L478 HydrophobicContact CH2-CD2 3.92Å; W300-L478 HydrophobicContact CZ2-CD2 4.02Å; W300-L478 HydrophobicContact CZ3-CB 3.63Å; W300-L478 HydrophobicContact CZ3-CD2 3.96Å; W300-L478 HydrophobicContact CZ3-CG 4.3Å; M395-L478 HydrophobicContact CE-CD1 4.18Å; M395-L478 HydrophobicContact CE-CD2 4.17Å; M470-L478 WeakPolarHBondContact O-CD1 3.27Å; Y472-L478 HydrophobicContact CD1-CB 4.16Å; Y472-L478 HydrophobicContact CD1-CD1 4.3Å; Y472-L478 HydrophobicContact CD2-CD1 3.73Å; Y472-L478 HydrophobicContact CE1-CB 3.85Å; Y472-L478 HydrophobicContact CE1-CD1 4.08Å; Y472-L478 HydrophobicContact CE2-CD1 3.47Å; Y472-L478 VanDerWaalsContact CE2-CD1 3.47Å; Y472-L478 HydrophobicContact CG-CD1 4.13Å; L478-A481 HydrophobicContact CD1-CB 3.84Å; L478-A481 HydrophobicContact CD2-CB 4.46Å; L478-A481 HydrophobicContact CG-CB 4.21Å; L478-P483 HydrophobicContact CD2-CG 3.88Å
479V88.5Confident92.5Very high31 Ų3121.9 Ų21.919%0.18811%0.112CC..  trans-127.5-21.6-171.9-62.50000113.6Q358 G471 N473 E477Q358-V479 HydrophobicContact CG-CG2 4.13Å; G471-V479 PolarHBondContact O-N 2.88Å; N473-V479 HydrophobicContact CB-CG2 3.87Å; E477-V479 HydrophobicContact CB-CG1 4.03Å; E477-V479 PolarHBondContact O-N 2.96Å
480E91.1Very high93Very high34 Ų3420.4 Ų20.416%0.15910%0.101CC..SBendtrans-11214.3179.4-54.3-161.3161.700112.9V260 K357 Q358 G471V260-E480 HydrophobicContact CB-CB 4.17Å; V260-E480 HydrophobicContact CG2-CB 4.37Å; V260-E480 PolarHBondContact N-O 3.43Å; K357-E480 WeakPolarHBondContact CA-OE1 3.47Å; K357-E480 VanDerWaalsContact CG-OE1 3.22Å; K357-E480 WeakPolarHBondContact CG-OE1 3.39Å; Q358-E480 PolarHBondContact N-OE1 3.15Å; G471-E480 PolarHBondContact O-N 3.11Å
481A93.4Very high93.1Very high1 Ų124.9 Ų24.91%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-138156.2171.900000113C257 F258 F259 L478C257-A481 VanDerWaalsContact SG-CB 3.59Å; F258-A481 CarbonylContact O-C 3.48Å; F258-A481 WeakPolarHBondContact O-CA 3.35Å; F259-A481 HydrophobicContact CD1-CB 3.58Å; F259-A481 HydrophobicContact CE1-CB 3.89Å; F259-A481 HydrophobicContact CG-CB 4.47Å; L478-A481 HydrophobicContact CD1-CB 3.84Å; L478-A481 HydrophobicContact CD2-CB 4.46Å; L478-A481 HydrophobicContact CG-CB 4.21Å
482C95.3Very high93.1Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-136.298.8173.41770000109.6F258 W300 V303 L355F258-C482 HydrophobicContact CB-CB 4.23Å; F258-C482 HydrophobicContact CD2-CB 4.28Å; F258-C482 PolarHBondContact N-O 3.31Å; F258-C482 PolarHBondContact O-N 3.08Å; W300-C482 HydrophobicContact CB-CB 4.09Å; V303-C482 HydrophobicContact CB-CB 4.32Å; V303-C482 HydrophobicContact CG1-CB 4.17Å; V303-C482 HydrophobicContact CG2-CB 4.21Å; L355-C482 HydrophobicContact CD1-CB 4.38Å; L355-C482 HydrophobicContact CD2-CB 3.99Å
483P95.4Very high93.2Very high0 Ų027.4 Ų27.40%015%0.147CC..EExtended strand (participates in β ladder)trans-59.4145.6170.2-24.235.5000110.8G256 P287 L288 L290 M395 L478G256-P483 CarbonylContact O-C 3.59Å; G256-P483 WeakPolarHBondContact O-CA 3.49Å; P287-P483 CarbonylContact C-O 3.55Å; P287-P483 WeakPolarHBondContact CA-O 3.37Å; L288-P483 HydrophobicContact CB-CB 4.02Å; L288-P483 PolarHBondContact N-O 3.39Å; L290-P483 HydrophobicContact CD1-CB 4.21Å; L290-P483 HydrophobicContact CD1-CG 3.59Å; L290-P483 HydrophobicContact CD2-CB 4.35Å; L290-P483 HydrophobicContact CG-CB 4.31Å; L290-P483 HydrophobicContact CG-CG 4.12Å; M395-P483 HydrophobicContact CE-CG 3.87Å; M395-P483 HydrophobicContact CG-CB 4.49Å; M395-P483 HydrophobicContact CG-CG 4.3Å; M395-P483 HydrophobicContact SD-CG 4.36Å; L478-P483 HydrophobicContact CD2-CG 3.88Å
484F96.1Very high93.5Very high0 Ų031.4 Ų31.40%017%0.166CC..EExtended strand (participates in β ladder)trans-146.4164.4177.163.2-102.4000111.5K255 G256 C257 F258 S268 Y271 I285 Q286 P348 I486K255-F484 CarbonylContact C-O 3.54Å; K255-F484 WeakPolarHBondContact CA-O 3.49Å; G256-F484 PolarHBondContact N-O 3.26Å; G256-F484 PolarHBondContact O-N 3.33Å; G256-F484 VanDerWaalsContact O-O 3.14Å; C257-F484 VanDerWaalsContact C-CE1 3.41Å; F258-F484 HydrophobicContact CD1-CE1 4.09Å; F258-F484 AromaticContact CD2-CD1 3.41Å; F258-F484 HydrophobicContact CD2-CD1 3.41Å; F258-F484 VanDerWaalsContact CD2-CD1 3.41Å; F258-F484 AromaticContact CD2-CE1 3.77Å; F258-F484 HydrophobicContact CD2-CE1 3.77Å; F258-F484 HydrophobicContact CD2-CG 4.47Å; F258-F484 HydrophobicContact CE1-CD1 4.44Å; F258-F484 AromaticContact CE1-CE1 3.95Å; F258-F484 HydrophobicContact CE1-CE1 3.95Å; F258-F484 HydrophobicContact CE2-CB 4.44Å; F258-F484 AromaticContact CE2-CD1 3.25Å; F258-F484 HydrophobicContact CE2-CD1 3.25Å; F258-F484 AromaticContact CE2-CE1 3.6Å; F258-F484 HydrophobicContact CE2-CE1 3.6Å; F258-F484 HydrophobicContact CE2-CG 4.03Å; F258-F484 HydrophobicContact CG-CD1 4.08Å; F258-F484 AromaticContact CG-CE1 3.99Å; F258-F484 HydrophobicContact CG-CE1 3.99Å; F258-F484 AromaticContact CZ-CD1 3.82Å; F258-F484 HydrophobicContact CZ-CD1 3.82Å; F258-F484 AromaticContact CZ-CE1 3.7Å; F258-F484 HydrophobicContact CZ-CE1 3.7Å; F258-F484 HydrophobicContact CZ-CZ 4.45Å; S268-F484 WeakPolarHBondContact OG-CE1 3.35Å; S268-F484 VanDerWaalsContact OG-CZ 3.28Å; S268-F484 WeakPolarHBondContact OG-CZ 3.41Å; Y271-F484 HydrophobicContact CE2-CE2 4.22Å; Y271-F484 HydrophobicContact CE2-CZ 4.39Å; I285-F484 HydrophobicContact CD1-CB 4.42Å; I285-F484 HydrophobicContact CD1-CD2 3.82Å; I285-F484 HydrophobicContact CD1-CE2 4.28Å; I285-F484 HydrophobicContact CD1-CG 4.09Å; I285-F484 HydrophobicContact CG1-CB 4.33Å; I285-F484 HydrophobicContact CG1-CD2 4.2Å; I285-F484 HydrophobicContact CG1-CG 4.46Å; Q286-F484 CarbonylContact O-C 3.57Å; Q286-F484 WeakPolarHBondContact O-CA 3.39Å; Q286-F484 VanDerWaalsContact O-CB 3.25Å; Q286-F484 WeakPolarHBondContact O-CB 3.42Å; P348-F484 HydrophobicContact CB-CE1 4.11Å; P348-F484 HydrophobicContact CB-CE2 4.16Å; P348-F484 HydrophobicContact CB-CZ 3.63Å; P348-F484 HydrophobicContact CG-CE2 4.02Å; P348-F484 HydrophobicContact CG-CZ 3.66Å; F484-I486 HydrophobicContact CD2-CD1 4.46Å; F484-I486 HydrophobicContact CD2-CG1 4.03Å; F484-I486 HydrophobicContact CE2-CD1 3.9Å; F484-I486 HydrophobicContact CE2-CG1 3.97Å
485Q96.4Very high93.9Very high36 Ų3629.5 Ų29.517%0.16816%0.157CC..EExtended strand (participates in β ladder)trans-126.1138.7170.5-175.8176.1-67.100110F253 I285 Q286 D487F253-Q485 HydrophobicContact CB-CG 4.44Å; F253-Q485 HydrophobicContact CD2-CG 4.27Å; I285-Q485 VanDerWaalsContact CA-O 3.28Å; I285-Q485 WeakPolarHBondContact CA-O 3.41Å; Q286-Q485 PolarHBondContact N-O 3.48Å; Q286-Q485 VanDerWaalsContact N-O 3.11Å; Q286-Q485 PolarHBondContact O-N 3.42Å; Q485-D487 PolarHBondContact NE2-OD1 3.48Å; Q485-D487 VanDerWaalsContact NE2-OD1 3.13Å; Q485-D487 PolarHBondContact NE2-OD2 3.35Å
486I97.8Very high94.2Very high0 Ų027.6 Ų27.60%015%0.153CC..EExtended strand (participates in β ladder)trans-109126170.8-57.1172.6000108.1F253 M254 Y271 L283 T284 I285 V307 L346 P348 F484 V488 M497F253-I486 CarbonylContact C-O 3.58Å; F253-I486 WeakPolarHBondContact CA-O 3.43Å; F253-I486 VanDerWaalsContact CB-O 3.29Å; F253-I486 WeakPolarHBondContact CB-O 3.2Å; M254-I486 PolarHBondContact N-O 3.39Å; M254-I486 PolarHBondContact O-N 3.06Å; Y271-I486 HydrophobicContact CD2-CD1 3.79Å; Y271-I486 HydrophobicContact CE2-CD1 3.77Å; L283-I486 HydrophobicContact CD1-CG2 3.69Å; T284-I486 CarbonylContact O-C 3.54Å; T284-I486 VanDerWaalsContact O-CA 3.31Å; T284-I486 WeakPolarHBondContact O-CA 3.27Å; I285-I486 HydrophobicContact CB-CG1 4.33Å; I285-I486 HydrophobicContact CD1-CD1 4.5Å; I285-I486 HydrophobicContact CD1-CG1 4.01Å; I285-I486 HydrophobicContact CG1-CG1 4.07Å; V307-I486 HydrophobicContact CG2-CD1 3.76Å; V307-I486 HydrophobicContact CG2-CG1 3.95Å; V307-I486 HydrophobicContact CG2-CG2 4.45Å; L346-I486 HydrophobicContact CD1-CG2 4.23Å; P348-I486 HydrophobicContact CG-CD1 4.05Å; F484-I486 HydrophobicContact CD2-CD1 4.46Å; F484-I486 HydrophobicContact CD2-CG1 4.03Å; F484-I486 HydrophobicContact CE2-CD1 3.9Å; F484-I486 HydrophobicContact CE2-CG1 3.97Å; I486-V488 HydrophobicContact CG2-CG2 4.38Å; I486-M497 HydrophobicContact CB-CE 4.47Å; I486-M497 HydrophobicContact CG2-CE 4.38Å
487D97.1Very high94.5Very high13 Ų1327.6 Ų27.67%0.0715%0.153CC..EExtended strand (participates in β ladder)trans-114.4132.2175.5-67.1-88.6000110H251 L283 T284 Q485H251-D487 IonicContact CD2-OD1 2.69Å; H251-D487 IonicContact CE1-OD1 3.5Å; H251-D487 PolarHBondContact CE1-OD1 3.06Å; H251-D487 IonicContact NE2-OD1 3.65Å; H251-D487 PolarHBondContact NE2-OD1 3.32Å; L283-D487 WeakPolarHBondContact CA-O 3.44Å; T284-D487 PolarHBondContact N-O 3.27Å; T284-D487 PolarHBondContact O-N 3.04Å; Q485-D487 PolarHBondContact NE2-OD1 3.48Å; Q485-D487 VanDerWaalsContact NE2-OD1 3.13Å; Q485-D487 PolarHBondContact NE2-OD2 3.35Å
488V97.6Very high94.7Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-124.1114.4176.3-176.60000108H251 C252 L273 V281 L283 L346 I486 P495 M497H251-V488 WeakPolarHBondContact CA-O 3.49Å; C252-V488 PolarHBondContact N-O 3.32Å; C252-V488 PolarHBondContact O-N 2.96Å; L273-V488 HydrophobicContact CD1-CB 4.46Å; L273-V488 HydrophobicContact CD1-CG1 4.01Å; L273-V488 HydrophobicContact CD1-CG2 4.26Å; L273-V488 HydrophobicContact CD2-CG1 4.05Å; L273-V488 HydrophobicContact CD2-CG2 4.32Å; V281-V488 HydrophobicContact CG1-CG1 3.96Å; L283-V488 HydrophobicContact CD1-CG2 3.62Å; L346-V488 HydrophobicContact CD1-CG2 4.46Å; I486-V488 HydrophobicContact CG2-CG2 4.38Å; V488-P495 HydrophobicContact CG1-CB 4.46Å; V488-M497 HydrophobicContact CG2-CE 4.27Å; V488-M497 HydrophobicContact CG2-SD 4.2Å
489H97.3Very high94.7Very high31 Ų3131.4 Ų31.414%0.14418%0.175CC..EExtended strand (participates in β ladder)trans-104.1136169.7-61.8-101.7000110L246 W249 H250 H251 V281 Y282L246-H489 HydrophobicContact CD1-CB 3.52Å; L246-H489 HydrophobicContact CG-CB 4.38Å; W249-H489 HydrophobicContact CB-CB 4.21Å; W249-H489 HydrophobicContact CE3-CB 3.97Å; H250-H489 CarbonylContact O-C 3.53Å; H250-H489 VanDerWaalsContact O-CA 3.24Å; H250-H489 WeakPolarHBondContact O-CA 3.36Å; H251-H489 AromaticContact CD2-CD2 3.78Å; H251-H489 AromaticContact CD2-CE1 3.27Å; H251-H489 PolarHBondContact CD2-CE1 2.55Å; H251-H489 AromaticContact CD2-ND1 3.71Å; H251-H489 AromaticContact CD2-NE2 3.33Å; H251-H489 PolarHBondContact CD2-NE2 3.33Å; H251-H489 VanDerWaalsContact CD2-NE2 3.33Å; H251-H489 AromaticContact CG-CE1 3.65Å; H251-H489 AromaticContact CG-ND1 3.96Å; H251-H489 AromaticContact NE2-CE1 3.96Å; H251-H489 AromaticContact NE2-NE2 3.78Å; V281-H489 WeakPolarHBondContact CA-O 3.43Å; Y282-H489 PolarHBondContact N-O 2.97Å; Y282-H489 PolarHBondContact O-N 3.34Å
490C96.8Very high94.5Very high0 Ų031.4 Ų31.40%017%0.174CC..EExtended strand (participates in β ladder)trans-128.7135.7178.8-63.20000111.7H250 T279 S280 G492 T493 P495H250-C490 PolarHBondContact N-O 3.16Å; H250-C490 PolarHBondContact O-N 2.94Å; T279-C490 HydrophobicContact CG2-CB 3.97Å; S280-C490 WeakPolarHBondContact O-CA 3.45Å; C490-G492 PolarHBondContact O-N 3.13Å; C490-T493 HydrophobicContact CB-CG2 3.85Å; C490-T493 WeakPolarHBondContact CB-O 3.16Å; C490-P495 HydrophobicContact CB-CG 4.29Å
491E95.4Very high93.3Very high96 Ų9633.1 Ų33.145%0.44919%0.188SC..SBendtrans-77.6117.5177.6-169.4171.7-152.700110.5W249 T279 S280 T493W249-E491 HydrophobicContact CD2-CB 3.94Å; W249-E491 HydrophobicContact CE3-CB 4.19Å; W249-E491 HydrophobicContact CH2-CB 4.09Å; W249-E491 HydrophobicContact CZ2-CB 3.82Å; W249-E491 HydrophobicContact CZ2-CG 4.09Å; W249-E491 HydrophobicContact CZ3-CB 4.26Å; T279-E491 PolarHBondContact OG1-N 3.41Å; T279-E491 VanDerWaalsContact OG1-N 3.11Å; T279-E491 PolarHBondContact OG1-O 3.13Å; S280-E491 VanDerWaalsContact CB-OE2 3.27Å; S280-E491 WeakPolarHBondContact CB-OE2 3.49Å; S280-E491 PolarHBondContact O-N 3.5Å; S280-E491 VanDerWaalsContact O-N 3.07Å; S280-E491 PolarHBondContact OG-OE2 3.39Å; E491-T493 PolarHBondContact O-N 3.39Å; E491-T493 VanDerWaalsContact O-N 3.13Å
492G90.5Very high91.5Very high51 Ų5136.3 Ų36.353%0.52621%0.205SC..SBendtrans67.79.4171.800000116.8Q277 C490Q277-G492 PolarHBondContact NE2-O 3.32Å; C490-G492 PolarHBondContact O-N 3.13Å
493T93.8Very high89.6Confident10 Ų1044.5 Ų44.56%0.06125%0.249CC..SBendtrans-141.5139.3173.1-1730000111.6H250 Q277 T279 C490 E491 P495H250-T493 WeakPolarHBondContact CB-O 3.4Å; H250-T493 PolarHBondContact CD2-N 2.88Å; Q277-T493 HydrophobicContact CG-CG2 4.03Å; T279-T493 HydrophobicContact CG2-CG2 3.49Å; T279-T493 VanDerWaalsContact CG2-CG2 3.49Å; C490-T493 HydrophobicContact CB-CG2 3.85Å; C490-T493 WeakPolarHBondContact CB-O 3.16Å; E491-T493 PolarHBondContact O-N 3.39Å; E491-T493 VanDerWaalsContact O-N 3.13Å; T493-P495 WeakPolarHBondContact O-CD 3.16Å
494Q95.7Very high87.7Confident101 Ų10145.5 Ų45.547%0.47226%0.256SS..  trans-76.6115.5174.2-173.363.141.600110.3H250 H251 P276H250-Q494 PolarHBondContact ND1-OE1 3.01Å; H251-Q494 PolarHBondContact O-NE2 2.89Å; H251-Q494 VanDerWaalsContact O-NE2 3.16Å; P276-Q494 WeakPolarHBondContact CD-O 3.47Å; P276-Q494 WeakPolarHBondContact CG-O 3.47Å
495P96.3Very high86.2Confident3 Ų345.9 Ų45.92%0.01926%0.26CS..  trans-76.6154.217032-32.3000110.5C252 L273 L275 V488 C490 T493C252-P495 HydrophobicContact CB-CG 4.06Å; C252-P495 VanDerWaalsContact SG-CG 3.56Å; L273-P495 HydrophobicContact CD1-CB 3.91Å; L275-P495 HydrophobicContact CD2-CB 3.91Å; V488-P495 HydrophobicContact CG1-CB 4.46Å; C490-P495 HydrophobicContact CB-CG 4.29Å; T493-P495 WeakPolarHBondContact O-CD 3.16Å
496S95.9Very high85.1Confident57 Ų5748.5 Ų48.540%0.39928%0.278SS..EExtended strand (participates in β ladder)trans-124.7143.2166.665.90000110.9H274H274-S496 WeakPolarHBondContact CB-OG 3.41Å; H274-S496 PolarHBondContact N-O 2.99Å; H274-S496 PolarHBondContact O-N 3.15Å; H274-S496 VanDerWaalsContact O-N 3.16Å
497M95.3Very high84.3Confident21 Ų2156.1 Ų56.110%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-130.9140.7-178-162.1152.455.100110.5M254 H272 L346 I486 V488M254-M497 HydrophobicContact CB-CE 3.59Å; M254-M497 HydrophobicContact CG-CB 3.88Å; M254-M497 HydrophobicContact CG-CE 3.35Å; M254-M497 HydrophobicContact CG-CG 3.61Å; M254-M497 HydrophobicContact CG-SD 4.09Å; M254-M497 VanDerWaalsContact N-CE 3.25Å; H272-M497 CarbonylContact O-C 3.56Å; H272-M497 WeakPolarHBondContact O-CA 3.3Å; H272-M497 WeakPolarHBondContact O-CG 3.44Å; L346-M497 HydrophobicContact CD1-SD 3.44Å; L346-M497 WeakPolarHBondContact CD1-SD 3.49Å; I486-M497 HydrophobicContact CB-CE 4.47Å; I486-M497 HydrophobicContact CG2-CE 4.38Å; V488-M497 HydrophobicContact CG2-CE 4.27Å; V488-M497 HydrophobicContact CG2-SD 4.2Å
498Q92.4Very high83.8Confident126 Ų12655.7 Ų55.759%0.58931%0.309SS*.EExtended strand (participates in β ladder)trans-139.4138.7-179.7-69-178.7-21.500110.5Y271 H272Y271-Q498 CarbonylContact C-O 3.51Å; Y271-Q498 WeakPolarHBondContact CA-O 3.42Å; H272-Q498 PolarHBondContact N-O 3.04Å; H272-Q498 PolarHBondContact O-N 2.94Å
499P91.4Very high83.4Confident49 Ų4957.2 Ų57.232%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-73.1153.1176.532-31.5000111M254 Q270 Y271 L398M254-P499 HydrophobicContact CE-CB 4.08Å; M254-P499 HydrophobicContact CE-CG 3.92Å; Q270-P499 CarbonylContact O-C 3.5Å; Y271-P499 HydrophobicContact CD1-CB 4.2Å; Y271-P499 HydrophobicContact CE1-CB 4.17Å; L398-P499 HydrophobicContact CD1-CB 3.91Å; L398-P499 HydrophobicContact CD1-CG 4.04Å
500L84.6Confident82.9Confident31 Ų3159 Ų5916%0.16233%0.327CS..EExtended strand (participates in β ladder)trans-130.9125.5-179.1-61.8170.7000110.3Q270 H272 L502Q270-L500 HydrophobicContact CB-CB 4.22Å; Q270-L500 HydrophobicContact CB-CD1 4.44Å; Q270-L500 PolarHBondContact N-O 3.03Å; Q270-L500 WeakPolarHBondContact O-CB 3.43Å; Q270-L500 PolarHBondContact O-N 3Å; H272-L500 HydrophobicContact CB-CD1 4.31Å; H272-L500 VanDerWaalsContact CD2-CD1 3.5Å; H272-L500 WeakPolarHBondContact CD2-CD1 3.3Å; H272-L500 WeakPolarHBondContact ND1-CD2 3.46Å; L500-L502 HydrophobicContact CB-CD1 4.19Å; L500-L502 HydrophobicContact CB-CG 4.24Å; L500-L502 HydrophobicContact CD1-CD1 4.17Å
501C65.9Low82.6Confident69 Ų6962.8 Ų62.847%0.46635%0.345SS..  trans-89.4109.4165.8-171.10000108.4L411L411-C501 HydrophobicContact CD2-CB 4.27Å
502L55.3Low82.4Confident68 Ų6858.2 Ų58.236%0.35632%0.324SS..  trans-131.7116.9-177.5-76171.5000112.2L500 S504 G505L500-L502 HydrophobicContact CB-CD1 4.19Å; L500-L502 HydrophobicContact CB-CG 4.24Å; L500-L502 HydrophobicContact CD1-CD1 4.17Å; L502-S504 PolarHBondContact O-N 3.25Å; L502-G505 PolarHBondContact O-N 3.25Å
503D54.2Low82.4Confident173 Ų17356 Ų5693%0.92530%0.3SS*.THydrogen-bonded Turntrans-61.8-9.3171.4-53.6-33.2000113.9
504S55.6Low82.3Confident21 Ų2157.4 Ų57.415%0.14731%0.306CS..THydrogen-bonded Turntrans-1148-176.762.80000114.8L502 T506 K507L502-S504 PolarHBondContact O-N 3.25Å; S504-T506 VanDerWaalsContact C-N 3.3Å; S504-T506 PolarHBondContact O-N 3.15Å; S504-K507 PolarHBondContact O-N 2.9Å; S504-K507 VanDerWaalsContact O-N 3.11Å
505G64.6Low82Confident8 Ų856.4 Ų56.48%0.08230%0.3CS..Hα-helixtrans-57.1-39.4-172.700000114.6Q270 L502 K507 L508 L509Q270-G505 VanDerWaalsContact NE2-C 3.3Å; Q270-G505 PolarHBondContact NE2-O 3.1Å; L502-G505 PolarHBondContact O-N 3.25Å; G505-K507 VanDerWaalsContact C-N 3.31Å; G505-K507 PolarHBondContact O-N 3.27Å; G505-L508 PolarHBondContact O-N 3.24Å; G505-L509 WeakPolarHBondContact O-CB 3.4Å; G505-L509 PolarHBondContact O-N 3.1Å
506T73.9Confident81.7Confident91 Ų9156.3 Ų56.356%0.55830%0.299SS*.Hα-helixtrans-63.4-32.9180-43.20000113S504 N510S504-T506 VanDerWaalsContact C-N 3.3Å; S504-T506 PolarHBondContact O-N 3.15Å; T506-N510 WeakPolarHBondContact O-CB 3.48Å; T506-N510 PolarHBondContact O-N 2.81Å; T506-N510 PolarHBondContact O-ND2 3.08Å
507K81.6Confident81.4Confident159 Ų15953.6 Ų53.669%0.69128%0.28SS*.Hα-helixtrans-71.5-47179.5-69.5-178.1-178.5175.90111.1S504 G505 N510 Q511S504-K507 PolarHBondContact O-N 2.9Å; S504-K507 VanDerWaalsContact O-N 3.11Å; G505-K507 VanDerWaalsContact C-N 3.31Å; G505-K507 PolarHBondContact O-N 3.27Å; K507-N510 PolarHBondContact O-N 3.03Å; K507-Q511 WeakPolarHBondContact O-CG 3.46Å; K507-Q511 PolarHBondContact O-N 3.47Å
508L85.4Confident81.1Confident5 Ų554.6 Ų54.63%0.02629%0.288CS..Hα-helixtrans-61.6-45.2176.9-83.6136.6000111.2M310 L347 G505 N510 Q511 A512M310-L508 HydrophobicContact CE-CD2 3.76Å; M310-L508 HydrophobicContact SD-CD2 4.3Å; L347-L508 HydrophobicContact CD1-CB 4.14Å; G505-L508 PolarHBondContact O-N 3.24Å; L508-N510 PolarHBondContact O-N 3.06Å; L508-Q511 WeakPolarHBondContact O-CB 3.47Å; L508-Q511 PolarHBondContact O-N 3.21Å; L508-Q511 VanDerWaalsContact O-N 3.16Å; L508-A512 PolarHBondContact O-N 2.9Å
509L88.9Confident80.4Confident32 Ų3254.3 Ų54.317%0.16829%0.289CS..Hα-helixtrans-61.1-44.4177.3179.459.6000112F308 L347 F349 G505 Q511 A512 L513F308-L509 HydrophobicContact CD2-CD1 3.83Å; F308-L509 HydrophobicContact CE2-CD1 4.29Å; L347-L509 HydrophobicContact CB-CD1 3.98Å; F349-L509 HydrophobicContact CB-CD1 4.01Å; F349-L509 HydrophobicContact CD2-CD1 4.05Å; F349-L509 HydrophobicContact CD2-CD2 4.17Å; F349-L509 HydrophobicContact CD2-CG 4.31Å; F349-L509 HydrophobicContact CG-CD1 4.46Å; G505-L509 WeakPolarHBondContact O-CB 3.4Å; G505-L509 PolarHBondContact O-N 3.1Å; L509-Q511 VanDerWaalsContact C-N 3.32Å; L509-Q511 PolarHBondContact O-N 3.28Å; L509-A512 WeakPolarHBondContact O-CB 3.5Å; L509-A512 PolarHBondContact O-N 3.45Å; L509-L513 VanDerWaalsContact O-CB 3.3Å; L509-L513 WeakPolarHBondContact O-CB 3.22Å; L509-L513 PolarHBondContact O-N 3.17Å
510N88.1Confident79.2Confident67 Ų6758.4 Ų58.436%0.35830%0.299SS..Hα-helixtrans-61.1-40174.5-84.8-56.7000112.4T506 K507 L508 L513 Q514T506-N510 WeakPolarHBondContact O-CB 3.48Å; T506-N510 PolarHBondContact O-N 2.81Å; T506-N510 PolarHBondContact O-ND2 3.08Å; K507-N510 PolarHBondContact O-N 3.03Å; L508-N510 PolarHBondContact O-N 3.06Å; N510-L513 PolarHBondContact O-N 3.49Å; N510-Q514 WeakPolarHBondContact O-CB 3.37Å; N510-Q514 WeakPolarHBondContact O-CG 3.16Å; N510-Q514 PolarHBondContact O-N 2.85Å
511Q89Confident78.2Confident81 Ų8160.3 Ų60.338%0.37931%0.306SS..Hα-helixtrans-64.2-44.8175-72.3174.7-4.100111.9K507 L508 L509 Q514 K515K507-Q511 WeakPolarHBondContact O-CG 3.46Å; K507-Q511 PolarHBondContact O-N 3.47Å; L508-Q511 WeakPolarHBondContact O-CB 3.47Å; L508-Q511 PolarHBondContact O-N 3.21Å; L508-Q511 VanDerWaalsContact O-N 3.16Å; L509-Q511 VanDerWaalsContact C-N 3.32Å; L509-Q511 PolarHBondContact O-N 3.28Å; Q511-Q514 PolarHBondContact O-N 3.42Å; Q511-K515 WeakPolarHBondContact O-CB 3.41Å; Q511-K515 WeakPolarHBondContact O-CG 3.39Å; Q511-K515 PolarHBondContact O-N 3.22Å
512A91.3Very high78.2Confident0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-58.1-49.2175.800000111F308 M310 L321 L347 L508 L509 Q514 K515 S516F308-A512 HydrophobicContact CB-CB 3.92Å; F308-A512 HydrophobicContact CD1-CB 4.08Å; F308-A512 HydrophobicContact CG-CB 4.02Å; M310-A512 HydrophobicContact CG-CB 4.37Å; M310-A512 HydrophobicContact SD-CB 3.68Å; L321-A512 HydrophobicContact CD1-CB 4.31Å; L347-A512 HydrophobicContact CD1-CB 4.15Å; L508-A512 PolarHBondContact O-N 2.9Å; L509-A512 WeakPolarHBondContact O-CB 3.5Å; L509-A512 PolarHBondContact O-N 3.45Å; A512-Q514 PolarHBondContact O-N 2.88Å; A512-K515 PolarHBondContact O-N 3.09Å; A512-S516 WeakPolarHBondContact O-CB 3.45Å; A512-S516 PolarHBondContact O-N 3.3Å
513L91.2Very high79.6Confident4 Ų459 Ų592%0.02132%0.317CS..Hα-helixtrans-61.5-47.2179.5-175.561.6000111.5F308 F349 L509 N510 K515 S516 I517 V587F308-L513 HydrophobicContact CE2-CD1 4.38Å; F308-L513 HydrophobicContact CZ-CD1 3.78Å; F349-L513 HydrophobicContact CE2-CD1 4.27Å; F349-L513 HydrophobicContact CE2-CD2 3.72Å; F349-L513 HydrophobicContact CZ-CD1 4.2Å; F349-L513 HydrophobicContact CZ-CD2 4.16Å; L509-L513 VanDerWaalsContact O-CB 3.3Å; L509-L513 WeakPolarHBondContact O-CB 3.22Å; L509-L513 PolarHBondContact O-N 3.17Å; N510-L513 PolarHBondContact O-N 3.49Å; L513-K515 PolarHBondContact O-N 3.29Å; L513-S516 PolarHBondContact O-N 3.49Å; L513-S516 PolarHBondContact O-OG 3.28Å; L513-I517 HydrophobicContact CD1-CD1 4.35Å; L513-I517 HydrophobicContact CG-CD1 4.24Å; L513-I517 WeakPolarHBondContact O-CG1 3.28Å; L513-I517 PolarHBondContact O-N 3.09Å; L513-I517 VanDerWaalsContact O-N 3.09Å; L513-V587 HydrophobicContact CD2-CG1 4.26Å; L513-V587 HydrophobicContact CD2-CG2 3.88Å; L513-V587 HydrophobicContact CG-CG2 4.12Å
514Q91.4Very high81.2Confident39 Ų3954.9 Ų54.918%0.18229%0.29CS..Hα-helixtrans-58.3-47.2175.1-72.9175.619.200111.9N510 Q511 A512 S516 I517 T518 L546 K585 V587N510-Q514 WeakPolarHBondContact O-CB 3.37Å; N510-Q514 WeakPolarHBondContact O-CG 3.16Å; N510-Q514 PolarHBondContact O-N 2.85Å; Q511-Q514 PolarHBondContact O-N 3.42Å; A512-Q514 PolarHBondContact O-N 2.88Å; Q514-S516 PolarHBondContact O-N 3.45Å; Q514-I517 PolarHBondContact O-N 3.35Å; Q514-T518 WeakPolarHBondContact O-CG2 3.44Å; Q514-T518 PolarHBondContact O-N 2.68Å; Q514-T518 VanDerWaalsContact O-N 3.11Å; Q514-T518 PolarHBondContact O-OG1 2.98Å; Q514-T518 VanDerWaalsContact O-OG1 3.08Å; Q514-L546 HydrophobicContact CG-CD1 3.8Å; Q514-K585 PolarHBondContact NE2-O 3.21Å; Q514-V587 HydrophobicContact CG-CG2 4.25Å
515K90.1Very high82.7Confident81 Ų8156.1 Ų56.135%0.35230%0.302SS..Hα-helixtrans-59.3-47.2177.3-75.6179.8-178.2179.40110.6S319 L321 Q511 A512 L513 I517 T518 L519S319-K515 PolarHBondContact O-NZ 3.27Å; S319-K515 VanDerWaalsContact O-NZ 3.11Å; L321-K515 HydrophobicContact CB-CB 4.24Å; L321-K515 HydrophobicContact CB-CD 4.18Å; L321-K515 HydrophobicContact CD2-CB 3.98Å; Q511-K515 WeakPolarHBondContact O-CB 3.41Å; Q511-K515 WeakPolarHBondContact O-CG 3.39Å; Q511-K515 PolarHBondContact O-N 3.22Å; A512-K515 PolarHBondContact O-N 3.09Å; L513-K515 PolarHBondContact O-N 3.29Å; K515-I517 VanDerWaalsContact C-N 3.31Å; K515-I517 PolarHBondContact O-N 3.38Å; K515-T518 WeakPolarHBondContact CA-OG1 3.39Å; K515-T518 PolarHBondContact O-N 2.69Å; K515-T518 VanDerWaalsContact O-N 3.14Å; K515-T518 PolarHBondContact O-OG1 2.93Å; K515-L519 WeakPolarHBondContact O-CB 3.39Å; K515-L519 WeakPolarHBondContact O-CD1 3.3Å; K515-L519 WeakPolarHBondContact O-CG 3.13Å; K515-L519 PolarHBondContact O-N 2.95Å
516S90.3Very high83.6Confident0 Ų055.8 Ų55.80%030%0.299CS..Hα-helixtrans-58.4-40-179.677.20000113A512 L513 Q514A512-S516 WeakPolarHBondContact O-CB 3.45Å; A512-S516 PolarHBondContact O-N 3.3Å; L513-S516 PolarHBondContact O-N 3.49Å; L513-S516 PolarHBondContact O-OG 3.28Å; Q514-S516 PolarHBondContact O-N 3.45Å
517I89.9Confident83.8Confident0 Ų059.7 Ų59.70%030%0.303CS..Hα-helixtrans-70.5-39.7178.6-64.5166.6000110.7L513 Q514 K515 L546 V587L513-I517 HydrophobicContact CD1-CD1 4.35Å; L513-I517 HydrophobicContact CG-CD1 4.24Å; L513-I517 WeakPolarHBondContact O-CG1 3.28Å; L513-I517 PolarHBondContact O-N 3.09Å; L513-I517 VanDerWaalsContact O-N 3.09Å; Q514-I517 PolarHBondContact O-N 3.35Å; K515-I517 VanDerWaalsContact C-N 3.31Å; K515-I517 PolarHBondContact O-N 3.38Å; I517-L546 HydrophobicContact CB-CB 4.36Å; I517-L546 HydrophobicContact CB-CD2 4.48Å; I517-L546 HydrophobicContact CD1-CB 4.11Å; I517-L546 HydrophobicContact CG2-CB 3.69Å; I517-L546 HydrophobicContact CG2-CD2 4.32Å; I517-V587 HydrophobicContact CD1-CG2 4.28Å
518T87.4Confident83.4Confident42 Ų4255 Ų5526%0.25830%0.299SS..Hα-helixtrans-76.8-22.2-178.154.20000114.6Q514 K515 Y535 L546Q514-T518 WeakPolarHBondContact O-CG2 3.44Å; Q514-T518 PolarHBondContact O-N 2.68Å; Q514-T518 VanDerWaalsContact O-N 3.11Å; Q514-T518 PolarHBondContact O-OG1 2.98Å; Q514-T518 VanDerWaalsContact O-OG1 3.08Å; K515-T518 WeakPolarHBondContact CA-OG1 3.39Å; K515-T518 PolarHBondContact O-N 2.69Å; K515-T518 VanDerWaalsContact O-N 3.14Å; K515-T518 PolarHBondContact O-OG1 2.93Å; T518-Y535 HydrophobicContact CG2-CD1 4.03Å; T518-Y535 HydrophobicContact CG2-CD2 4.47Å; T518-Y535 HydrophobicContact CG2-CE1 4.03Å; T518-Y535 HydrophobicContact CG2-CG 4.25Å; T518-L546 HydrophobicContact CG2-CD2 3.57Å
519L79Confident83Confident120 Ų12056.9 Ų56.963%0.62831%0.308SS*.Hα-helixtrans-68.9-33.7-174.8-91.2155.3000113.9L321 K515L321-L519 HydrophobicContact CD2-CD1 3.82Å; K515-L519 WeakPolarHBondContact O-CB 3.39Å; K515-L519 WeakPolarHBondContact O-CD1 3.3Å; K515-L519 WeakPolarHBondContact O-CG 3.13Å; K515-L519 PolarHBondContact O-N 2.95Å
520R65.4Low82.5Confident135 Ų13562 Ų6251%0.50934%0.336SS..Hα-helixtrans-109.6-14.3-164.4-72.5-173.8175.7-149.9-0.9115.6E326E326-R520 IonicContact OE1-CZ 2.76Å; E326-R520 IonicContact OE1-NH1 3.39Å; E326-R520 PolarHBondContact OE1-NH1 2.85Å; E326-R520 IonicContact OE1-NH2 3.66Å; E326-R520 PolarHBondContact OE1-NH2 3.36Å; E326-R520 IonicContact OE2-CZ 3.99Å; E326-R520 IonicContact OE2-NE 3.29Å; E326-R520 IonicContact OE2-NH1 2.72Å; E326-R520 PolarHBondContact OE2-NH1 3.33Å; E326-R520 IonicContact OE2-NH2 3.16Å; E326-R520 PolarHBondContact OE2-NH2 3.48Å
521F64.1Low82.5Confident71 Ų7163.1 Ų63.131%0.31134%0.342SS..SBendtrans-138.8141.9-166.7-61.5-76.4000114.2T536 Y537 R538F521-T536 WeakPolarHBondContact CG-O 3.5Å; F521-Y537 HydrophobicContact CD2-CD2 4.06Å; F521-Y537 AromaticContact CE2-CD2 3.57Å; F521-Y537 HydrophobicContact CE2-CD2 3.57Å; F521-Y537 HydrophobicContact CE2-CE2 4.09Å; F521-Y537 HydrophobicContact CE2-CG 4.28Å; F521-R538 HydrophobicContact CE1-CB 4.39Å; F521-R538 HydrophobicContact CZ-CB 4.16Å; F521-R538 WeakPolarHBondContact CZ-O 3.13Å
522G66.1Low82.6Confident68 Ų6859.3 Ų59.370%0.70132%0.324SS*.  trans-64.3134.7178.800000112.4
523A83.7Confident82.6Confident43 Ų4361.2 Ų61.236%0.35533%0.332SS..  trans-71137.2174.300000110.8F533 Y535A523-F533 HydrophobicContact CB-CB 4.22Å; A523-F533 HydrophobicContact CB-CD1 4.06Å; A523-Y535 HydrophobicContact CB-CD1 4.07Å; A523-Y535 HydrophobicContact CB-CD2 4.34Å; A523-Y535 HydrophobicContact CB-CE1 3.55Å; A523-Y535 HydrophobicContact CB-CE2 3.82Å; A523-Y535 HydrophobicContact CB-CG 4.44Å
524K87.9Confident82.6Confident85 Ų8561.1 Ų61.137%0.3733%0.332SS..EExtended strand (participates in β ladder)trans-105.7124.8168.3-65.8-176.3-179.7-175.90109.3L224 N226 L526 F533 I534L224-K524 HydrophobicContact CD1-CB 4.32Å; L224-K524 HydrophobicContact CD1-CD 4.32Å; L224-K524 HydrophobicContact CD2-CB 3.75Å; L224-K524 HydrophobicContact CD2-CD 4.25Å; N226-K524 WeakPolarHBondContact OD1-CD 3.49Å; N226-K524 WeakPolarHBondContact OD1-CE 3.33Å; N226-K524 PolarHBondContact OD1-NZ 3.16Å; K524-L526 PolarHBondContact O-N 3.38Å; K524-F533 CarbonylContact O-C 3.6Å; K524-F533 WeakPolarHBondContact O-CA 3.19Å; K524-I534 PolarHBondContact N-O 2.74Å; K524-I534 PolarHBondContact O-N 3.49Å
525A86.8Confident82.6Confident48 Ų4861.1 Ų61.140%0.39733%0.33SS..EExtended strand (participates in β ladder)trans-64.7135.3172.100000109.7R527 V532 F533A525-R527 PolarHBondContact O-N 2.93Å; A525-V532 WeakPolarHBondContact CA-O 3.27Å; A525-F533 HydrophobicContact CB-CD1 4.39Å; A525-F533 HydrophobicContact CB-CE1 4.28Å
526L84.9Confident82.6Confident1 Ų157.7 Ų57.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-68.8122.3173.2-178.760.6000108L224 K524 G528 H529 V532 I534 V557 E606L224-L526 HydrophobicContact CB-CD1 4.36Å; K524-L526 PolarHBondContact O-N 3.38Å; L526-G528 PolarHBondContact O-N 3.18Å; L526-G528 VanDerWaalsContact O-N 3.15Å; L526-H529 CarbonylContact O-C 3.25Å; L526-H529 PolarHBondContact O-N 3.44Å; L526-V532 HydrophobicContact CB-CB 4.08Å; L526-V532 HydrophobicContact CB-CG1 4.01Å; L526-V532 HydrophobicContact CD2-CB 4.35Å; L526-V532 HydrophobicContact CD2-CG1 3.86Å; L526-V532 PolarHBondContact N-O 2.88Å; L526-I534 HydrophobicContact CB-CD1 4.35Å; L526-I534 HydrophobicContact CD1-CD1 3.83Å; L526-V557 HydrophobicContact CD2-CG1 4.32Å; L526-V557 HydrophobicContact CD2-CG2 3.88Å; L526-E606 HydrophobicContact CD1-CB 4.16Å
527R76.4Confident82.5Confident172 Ų17258 Ų5865%0.64932%0.317SS*.THydrogen-bonded Turntrans-56.2123.7-176.4-168.9-172.1-81.2-121.9-1109.4S222 S223 A525S222-R527 WeakPolarHBondContact CB-O 3.29Å; S222-R527 PolarHBondContact OG-O 3.05Å; S223-R527 PolarHBondContact O-NE 2.64Å; A525-R527 PolarHBondContact O-N 2.93Å
528G73.3Confident82.3Confident60 Ų6063 Ų6362%0.61934%0.336SS*.THydrogen-bonded Turntrans91.9-2.3-176.900000115.4L526L526-G528 PolarHBondContact O-N 3.18Å; L526-G528 VanDerWaalsContact O-N 3.15Å
529H77.6Confident81.9Confident46 Ų4661.7 Ų61.721%0.21333%0.332CS..EExtended strand (participates in β ladder)trans-138.599.1173.7-68.7-94.7000111.3L526 N531 V532 S608L526-H529 CarbonylContact O-C 3.25Å; L526-H529 PolarHBondContact O-N 3.44Å; H529-N531 PolarHBondContact O-N 2.76Å; H529-N531 VanDerWaalsContact O-N 3.08Å; H529-V532 HydrophobicContact CB-CB 3.9Å; H529-V532 HydrophobicContact CB-CG2 3.79Å; H529-V532 PolarHBondContact O-N 2.69Å; H529-V532 VanDerWaalsContact O-N 3.15Å; H529-S608 WeakPolarHBondContact CD2-CB 3.25Å; H529-S608 PolarHBondContact CD2-OG 3.39Å; H529-S608 WeakPolarHBondContact NE2-CB 3.37Å; H529-S608 PolarHBondContact NE2-OG 3.02Å
530D78.5Confident81.8Confident139 Ų13959.6 Ų59.674%0.74332%0.321SS*.EExtended strand (participates in β ladder)trans-65.1-17.6-177.4-57.5-34.5000113.7F533D530-F533 VanDerWaalsContact O-CZ 3.25Å; D530-F533 WeakPolarHBondContact O-CZ 3.43Å
531N88.8Confident82.5Confident90 Ų9053.8 Ų53.848%0.48130%0.299SS..EExtended strand (participates in β ladder)trans-102.85.4-178.7-67.7-47.1000113.8H529 K550 A551H529-N531 PolarHBondContact O-N 2.76Å; H529-N531 VanDerWaalsContact O-N 3.08Å; N531-K550 HydrophobicContact CB-CB 4.32Å; N531-K550 WeakPolarHBondContact O-CA 3.34Å; N531-K550 WeakPolarHBondContact O-CB 3.48Å; N531-K550 PolarHBondContact O-N 3.01Å; N531-A551 HydrophobicContact CB-CB 3.99Å
532V89.9Confident83.7Confident1 Ų150.6 Ų50.61%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-116.4123.6178.6-178.40000109.1A525 L526 H529 I547 V548 V555A525-V532 WeakPolarHBondContact CA-O 3.27Å; L526-V532 HydrophobicContact CB-CB 4.08Å; L526-V532 HydrophobicContact CB-CG1 4.01Å; L526-V532 HydrophobicContact CD2-CB 4.35Å; L526-V532 HydrophobicContact CD2-CG1 3.86Å; L526-V532 PolarHBondContact N-O 2.88Å; H529-V532 HydrophobicContact CB-CB 3.9Å; H529-V532 HydrophobicContact CB-CG2 3.79Å; H529-V532 PolarHBondContact O-N 2.69Å; H529-V532 VanDerWaalsContact O-N 3.15Å; V532-I547 HydrophobicContact CG1-CG2 3.89Å; V532-V548 WeakPolarHBondContact CA-O 3.34Å; V532-V555 HydrophobicContact CG2-CB 4.3Å; V532-V555 HydrophobicContact CG2-CG1 4.23Å; V532-V555 HydrophobicContact CG2-CG2 3.84Å
533F91.4Very high84.8Confident41 Ų4147.4 Ų47.418%0.1825%0.252CS..EExtended strand (participates in β ladder)trans-121.4136.9-174.4-61.4-88.6000110.8A523 K524 A525 D530 Y535 I547 V548 K550A523-F533 HydrophobicContact CB-CB 4.22Å; A523-F533 HydrophobicContact CB-CD1 4.06Å; K524-F533 CarbonylContact O-C 3.6Å; K524-F533 WeakPolarHBondContact O-CA 3.19Å; A525-F533 HydrophobicContact CB-CD1 4.39Å; A525-F533 HydrophobicContact CB-CE1 4.28Å; D530-F533 VanDerWaalsContact O-CZ 3.25Å; D530-F533 WeakPolarHBondContact O-CZ 3.43Å; F533-Y535 HydrophobicContact CB-CD2 4.49Å; F533-Y535 HydrophobicContact CB-CE2 3.88Å; F533-I547 WeakPolarHBondContact O-CA 3.09Å; F533-V548 HydrophobicContact CB-CB 4.37Å; F533-V548 PolarHBondContact N-O 3.28Å; F533-V548 PolarHBondContact O-N 2.78Å; F533-K550 HydrophobicContact CD2-CD 4.11Å; F533-K550 HydrophobicContact CD2-CG 4.22Å; F533-K550 HydrophobicContact CE2-CD 3.78Å; F533-K550 HydrophobicContact CE2-CG 4.21Å
534I90.9Very high85.2Confident2 Ų245.4 Ų45.41%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-108.5123.7174.6-63.4163.2000108L224 K524 L526 L546 I547 E606L224-I534 HydrophobicContact CD2-CB 4.26Å; L224-I534 HydrophobicContact CD2-CD1 3.64Å; L224-I534 HydrophobicContact CD2-CG1 4.5Å; K524-I534 PolarHBondContact N-O 2.74Å; K524-I534 PolarHBondContact O-N 3.49Å; L526-I534 HydrophobicContact CB-CD1 4.35Å; L526-I534 HydrophobicContact CD1-CD1 3.83Å; I534-L546 WeakPolarHBondContact CA-O 3.47Å; I534-I547 HydrophobicContact CG1-CG1 4.3Å; I534-E606 HydrophobicContact CD1-CB 3.45Å; I534-E606 VanDerWaalsContact CD1-CB 3.45Å; I534-E606 HydrophobicContact CD1-CG 3.62Å
535Y91.6Very high85.4Confident38 Ų3841.5 Ų41.515%0.14922%0.219CC..EExtended strand (participates in β ladder)trans-106.1135.3170.9-63.8-105.8000108.2T518 A523 F533 S545 L546 V548T518-Y535 HydrophobicContact CG2-CD1 4.03Å; T518-Y535 HydrophobicContact CG2-CD2 4.47Å; T518-Y535 HydrophobicContact CG2-CE1 4.03Å; T518-Y535 HydrophobicContact CG2-CG 4.25Å; A523-Y535 HydrophobicContact CB-CD1 4.07Å; A523-Y535 HydrophobicContact CB-CD2 4.34Å; A523-Y535 HydrophobicContact CB-CE1 3.55Å; A523-Y535 HydrophobicContact CB-CE2 3.82Å; A523-Y535 HydrophobicContact CB-CG 4.44Å; F533-Y535 HydrophobicContact CB-CD2 4.49Å; F533-Y535 HydrophobicContact CB-CE2 3.88Å; Y535-S545 CarbonylContact O-C 3.59Å; Y535-S545 WeakPolarHBondContact O-CA 3.37Å; Y535-L546 HydrophobicContact CD2-CD2 4.43Å; Y535-L546 PolarHBondContact N-O 3.02Å; Y535-L546 PolarHBondContact O-N 3.01Å; Y535-V548 HydrophobicContact CD2-CB 4.5Å; Y535-V548 HydrophobicContact CD2-CG2 3.73Å; Y535-V548 HydrophobicContact CE2-CB 4.03Å; Y535-V548 HydrophobicContact CE2-CG2 3.51Å
536T89.7Confident85.7Confident10 Ų1039.2 Ų39.26%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-122.9106.3176.6-53.10000108.6F521 R538 I543 S544 Y602F521-T536 WeakPolarHBondContact CG-O 3.5Å; T536-R538 HydrophobicContact CG2-CG 4.23Å; T536-I543 HydrophobicContact CG2-CG2 3.85Å; T536-S544 CarbonylContact C-O 3.59Å; T536-Y602 HydrophobicContact CG2-CE1 4.39Å
537Y88.4Confident86.1Confident5 Ų539.2 Ų39.22%0.0220%0.2CC..EExtended strand (participates in β ladder)trans-73.5132167.2172.5-96.3000109.8F324 F521 G539 I543 S544F324-Y537 HydrophobicContact CE2-CE2 4.36Å; F324-Y537 HydrophobicContact CZ-CE2 4.2Å; F521-Y537 HydrophobicContact CD2-CD2 4.06Å; F521-Y537 AromaticContact CE2-CD2 3.57Å; F521-Y537 HydrophobicContact CE2-CD2 3.57Å; F521-Y537 HydrophobicContact CE2-CE2 4.09Å; F521-Y537 HydrophobicContact CE2-CG 4.28Å; Y537-G539 VanDerWaalsContact CE1-N 3.34Å; Y537-I543 WeakPolarHBondContact O-CA 3.35Å; Y537-S544 PolarHBondContact N-O 3.42Å; Y537-S544 PolarHBondContact O-N 3.34Å
538R86.4Confident86.9Confident106 Ų10631.4 Ų31.440%0.417%0.172SC..EExtended strand (participates in β ladder)trans-124.595.6177.4-59.5174.8-174.7-179.4-7108.1F521 T536F521-R538 HydrophobicContact CE1-CB 4.39Å; F521-R538 HydrophobicContact CZ-CB 4.16Å; F521-R538 WeakPolarHBondContact CZ-O 3.13Å; T536-R538 HydrophobicContact CG2-CG 4.23Å
539G79.4Confident87.8Confident15 Ų1528.6 Ų28.616%0.15514%0.142CC..  trans-94.4179.7171.300000111.8Y537 H541 R542Y537-G539 VanDerWaalsContact CE1-N 3.34Å; G539-H541 VanDerWaalsContact C-N 3.28Å; G539-H541 PolarHBondContact O-N 3.43Å; G539-R542 PolarHBondContact N-O 3.08Å
540D75.7Confident88.6Confident76 Ų7632.2 Ų32.241%0.40616%0.157SC..SBendtrans-63.3-33.2-177.2-66.4-17.7000113.3
541H80Confident89.1Confident12 Ų1226.5 Ų26.56%0.05613%0.13CC..SBendtrans-129.3-8.7-171.456.4-89.7000113.2E326 K328 Y333 G539 L592 P593E326-H541 PolarHBondContact O-CE1 3.27Å; K328-H541 HydrophobicContact CD-CB 3.99Å; Y333-H541 AromaticContact CD1-CE1 3.5Å; Y333-H541 AromaticContact CD1-NE2 3.68Å; Y333-H541 AromaticContact CE1-CD2 3.47Å; Y333-H541 VanDerWaalsContact CE1-CD2 3.47Å; Y333-H541 WeakPolarHBondContact CE1-CD2 3.42Å; Y333-H541 AromaticContact CE1-CE1 3.46Å; Y333-H541 VanDerWaalsContact CE1-CE1 3.46Å; Y333-H541 WeakPolarHBondContact CE1-CE1 3.38Å; Y333-H541 AromaticContact CE1-CG 3.73Å; Y333-H541 AromaticContact CE1-ND1 3.72Å; Y333-H541 AromaticContact CE1-NE2 3.33Å; Y333-H541 VanDerWaalsContact CE1-NE2 3.33Å; Y333-H541 WeakPolarHBondContact CE1-NE2 3.33Å; G539-H541 VanDerWaalsContact C-N 3.28Å; G539-H541 PolarHBondContact O-N 3.43Å; H541-L592 WeakPolarHBondContact O-CD2 3.43Å; H541-P593 WeakPolarHBondContact O-CD 3.19Å
542R89.4Confident89.1Confident4 Ų427.8 Ų27.82%0.01514%0.136CC..  trans-141133.5-175.7-172-176.774.4-139.60.3111.5G539 S544 L592G539-R542 PolarHBondContact N-O 3.08Å; R542-S544 PolarHBondContact NE-OG 2.98Å; R542-L592 HydrophobicContact CB-CD2 3.73Å; R542-L592 HydrophobicContact CG-CD2 3.85Å
543I90.9Very high88.9Confident2 Ų234 Ų341%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-101.2138.2163.9-68.9169000108.4V228 T536 Y537 H590 V591 W600 Y602V228-I543 HydrophobicContact CB-CD1 4.28Å; V228-I543 HydrophobicContact CG1-CD1 4.3Å; T536-I543 HydrophobicContact CG2-CG2 3.85Å; Y537-I543 WeakPolarHBondContact O-CA 3.35Å; I543-H590 CarbonylContact O-C 3.56Å; I543-H590 WeakPolarHBondContact O-CA 3.39Å; I543-V591 HydrophobicContact CB-CB 4.43Å; I543-V591 PolarHBondContact N-O 3.46Å; I543-V591 PolarHBondContact O-N 3.38Å; I543-W600 HydrophobicContact CB-CH2 4.3Å; I543-W600 HydrophobicContact CD1-CH2 3.51Å; I543-W600 HydrophobicContact CD1-CZ2 4.36Å; I543-W600 HydrophobicContact CD1-CZ3 3.73Å; I543-W600 HydrophobicContact CG1-CH2 3.68Å; I543-W600 HydrophobicContact CG1-CZ3 4.28Å; I543-Y602 HydrophobicContact CD1-CD1 3.75Å; I543-Y602 HydrophobicContact CD1-CG 3.7Å; I543-Y602 HydrophobicContact CG2-CD1 3.93Å; I543-Y602 HydrophobicContact CG2-CE1 3.72Å; I543-Y602 HydrophobicContact CG2-CG 4.37Å
544S92.1Very high88.7Confident0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-137.4132.1178-550000110.3T536 Y537 R542 Q589 H590T536-S544 CarbonylContact C-O 3.59Å; Y537-S544 PolarHBondContact N-O 3.42Å; Y537-S544 PolarHBondContact O-N 3.34Å; R542-S544 PolarHBondContact NE-OG 2.98Å; S544-Q589 WeakPolarHBondContact CA-O 3.45Å; S544-H590 WeakPolarHBondContact CB-ND1 3.39Å; S544-H590 PolarHBondContact OG-ND1 2.97Å
545S91.5Very high88.5Confident3 Ų337.8 Ų37.82%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-114131.7-175.7-63.40000110Y535 C588 Q589 Y602Y535-S545 CarbonylContact O-C 3.59Å; Y535-S545 WeakPolarHBondContact O-CA 3.37Å; S545-C588 VanDerWaalsContact O-CB 3.29Å; S545-C588 WeakPolarHBondContact O-CB 3.48Å; S545-C588 PolarHBondContact O-N 2.89Å; S545-Q589 PolarHBondContact N-O 2.9Å; S545-Y602 PolarHBondContact OG-OH 3Å
546L93.3Very high88.3Confident0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-121.7130.2179.8174.778.6000109.4Q514 I517 T518 I534 Y535 V548 K585 M586 V587Q514-L546 HydrophobicContact CG-CD1 3.8Å; I517-L546 HydrophobicContact CB-CB 4.36Å; I517-L546 HydrophobicContact CB-CD2 4.48Å; I517-L546 HydrophobicContact CD1-CB 4.11Å; I517-L546 HydrophobicContact CG2-CB 3.69Å; I517-L546 HydrophobicContact CG2-CD2 4.32Å; T518-L546 HydrophobicContact CG2-CD2 3.57Å; I534-L546 WeakPolarHBondContact CA-O 3.47Å; Y535-L546 HydrophobicContact CD2-CD2 4.43Å; Y535-L546 PolarHBondContact N-O 3.02Å; Y535-L546 PolarHBondContact O-N 3.01Å; L546-V548 HydrophobicContact CD2-CG2 3.91Å; L546-V548 HydrophobicContact CG-CG2 4.11Å; L546-K585 HydrophobicContact CD1-CB 4.35Å; L546-M586 VanDerWaalsContact CD1-C 3.49Å; L546-M586 WeakPolarHBondContact CD1-O 3.15Å; L546-V587 HydrophobicContact CD1-CG2 3.83Å
547I92.6Very high88Confident2 Ų237 Ų371%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-103.7128.5173.4-57.7164000108.5V532 F533 I534 V557 I578 V580 K585 M586 C588V532-I547 HydrophobicContact CG1-CG2 3.89Å; F533-I547 WeakPolarHBondContact O-CA 3.09Å; I534-I547 HydrophobicContact CG1-CG1 4.3Å; I547-V557 HydrophobicContact CD1-CB 3.88Å; I547-V557 HydrophobicContact CD1-CG1 3.94Å; I547-V557 HydrophobicContact CD1-CG2 4.12Å; I547-V557 HydrophobicContact CG2-CG2 4.24Å; I547-I578 HydrophobicContact CD1-CG2 3.46Å; I547-I578 VanDerWaalsContact CD1-CG2 3.46Å; I547-V580 HydrophobicContact CB-CG2 4.04Å; I547-V580 HydrophobicContact CD1-CG2 4.23Å; I547-V580 HydrophobicContact CG2-CB 4.45Å; I547-V580 HydrophobicContact CG2-CG1 4.39Å; I547-V580 HydrophobicContact CG2-CG2 3.8Å; I547-K585 WeakPolarHBondContact O-CA 3.38Å; I547-M586 PolarHBondContact N-O 3.1Å; I547-M586 PolarHBondContact O-N 2.95Å; I547-C588 HydrophobicContact CD1-CB 3.93Å; I547-C588 HydrophobicContact CG1-CB 4.14Å
548V93.5Very high87.9Confident8 Ų837.2 Ų37.25%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-115.3110177178.60000108.2V532 F533 Y535 L546 K550 K585V532-V548 WeakPolarHBondContact CA-O 3.34Å; F533-V548 HydrophobicContact CB-CB 4.37Å; F533-V548 PolarHBondContact N-O 3.28Å; F533-V548 PolarHBondContact O-N 2.78Å; Y535-V548 HydrophobicContact CD2-CB 4.5Å; Y535-V548 HydrophobicContact CD2-CG2 3.73Å; Y535-V548 HydrophobicContact CE2-CB 4.03Å; Y535-V548 HydrophobicContact CE2-CG2 3.51Å; L546-V548 HydrophobicContact CD2-CG2 3.91Å; L546-V548 HydrophobicContact CG-CG2 4.11Å; V548-K550 HydrophobicContact CG1-CG 4.08Å; V548-K585 HydrophobicContact CB-CG 4.43Å; V548-K585 HydrophobicContact CG1-CG 4.07Å; V548-K585 HydrophobicContact CG2-CB 4.39Å; V548-K585 HydrophobicContact CG2-CD 4.27Å; V548-K585 HydrophobicContact CG2-CG 3.94Å
549N92.8Very high87.9Confident1 Ų132.3 Ų32.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-95.5103.8175.7-177.99000109.6A551 Q553 V580 P581 R583 A584N549-A551 VanDerWaalsContact C-N 3.34Å; N549-A551 WeakPolarHBondContact OD1-CA 3.36Å; N549-A551 WeakPolarHBondContact OD1-CB 3.3Å; N549-A551 PolarHBondContact OD1-N 3.32Å; N549-Q553 PolarHBondContact ND2-O 3.33Å; N549-V580 HydrophobicContact CB-CB 4.21Å; N549-V580 HydrophobicContact CB-CG1 3.59Å; N549-V580 PolarHBondContact ND2-O 3.11Å; N549-P581 WeakPolarHBondContact CB-O 3.27Å; N549-P581 PolarHBondContact ND2-O 2.75Å; N549-R583 CarbonylContact O-C 3.6Å; N549-R583 WeakPolarHBondContact O-CA 3.41Å; N549-R583 PolarHBondContact O-N 3.28Å; N549-R583 VanDerWaalsContact O-N 3.11Å; N549-A584 PolarHBondContact N-O 2.82Å; N549-A584 PolarHBondContact O-N 3.28Å
550K92.8Very high88.2Confident121 Ų12133.8 Ų33.853%0.52617%0.169SC..  trans-88.5-1.9173-58.1-169.8-176.6174.50112.9N531 F533 V548N531-K550 HydrophobicContact CB-CB 4.32Å; N531-K550 WeakPolarHBondContact O-CA 3.34Å; N531-K550 WeakPolarHBondContact O-CB 3.48Å; N531-K550 PolarHBondContact O-N 3.01Å; F533-K550 HydrophobicContact CD2-CD 4.11Å; F533-K550 HydrophobicContact CD2-CG 4.22Å; F533-K550 HydrophobicContact CE2-CD 3.78Å; F533-K550 HydrophobicContact CE2-CG 4.21Å; V548-K550 HydrophobicContact CG1-CG 4.08Å
551A89.3Confident88.7Confident20 Ų2030.7 Ų30.717%0.16515%0.152CC..SBendtrans-73.5160.7177.800000111.4N531 N549 Q553 A582 R583N531-A551 HydrophobicContact CB-CB 3.99Å; N549-A551 VanDerWaalsContact C-N 3.34Å; N549-A551 WeakPolarHBondContact OD1-CA 3.36Å; N549-A551 WeakPolarHBondContact OD1-CB 3.3Å; N549-A551 PolarHBondContact OD1-N 3.32Å; A551-Q553 PolarHBondContact O-N 3.1Å; A551-A582 WeakPolarHBondContact O-CA 3.18Å; A551-R583 PolarHBondContact O-N 3.02Å; A551-R583 VanDerWaalsContact O-N 3.12Å
552N89Confident89Confident116 Ų11633.9 Ų33.962%0.6217%0.167SC*.SBendtrans-82.73.6174.2-64.9-35.1000113.1A582 R583N552-A582 VanDerWaalsContact C-CB 3.46Å; N552-R583 PolarHBondContact OD1-NE 3.1Å; N552-R583 PolarHBondContact OD1-NH2 3.31Å
553Q86.2Confident88.8Confident131 Ų13138.7 Ų38.761%0.61219%0.19SC*.SBendtrans-125.1152.8177.8-66.7-175-11.100109.9N549 A551N549-Q553 PolarHBondContact ND2-O 3.33Å; A551-Q553 PolarHBondContact O-N 3.1Å
554K87.9Confident88.7Confident116 Ų11639.8 Ų39.850%0.50420%0.197SC..  trans-64.5148.9170.571.2174.5-167160.80110.3E579 V580K554-E579 IonicContact NZ-OE1 3.78Å; K554-E579 PolarHBondContact NZ-OE1 2.81Å; K554-E579 IonicContact NZ-OE2 3.44Å; K554-E579 PolarHBondContact NZ-OE2 2.94Å; K554-V580 WeakPolarHBondContact CA-O 3.33Å
555V85.7Confident88.6Confident7 Ų748.8 Ų48.84%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-129.9132.9178.4177.20000109.2V532 V557 V580V532-V555 HydrophobicContact CG2-CB 4.3Å; V532-V555 HydrophobicContact CG2-CG1 4.23Å; V532-V555 HydrophobicContact CG2-CG2 3.84Å; V555-V557 HydrophobicContact CG1-CG2 3.98Å; V555-V580 PolarHBondContact N-O 3.26Å; V555-V580 PolarHBondContact O-N 2.87Å
556T86.8Confident88.5Confident31 Ų3150.2 Ų50.219%0.1924%0.239CC..EExtended strand (participates in β ladder)trans-95.3117.8171.2-51.80000108.8A577 I578 E579 L609T556-A577 HydrophobicContact CG2-CB 4.13Å; T556-I578 WeakPolarHBondContact CA-O 3.37Å; T556-E579 HydrophobicContact CG2-CG 4.48Å; T556-L609 PolarHBondContact O-N 2.56Å
557V85.3Confident88.3Confident0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-107126.1177.4-175.90000108.7L526 I547 V555 V559 A577 I578 E606L526-V557 HydrophobicContact CD2-CG1 4.32Å; L526-V557 HydrophobicContact CD2-CG2 3.88Å; I547-V557 HydrophobicContact CD1-CB 3.88Å; I547-V557 HydrophobicContact CD1-CG1 3.94Å; I547-V557 HydrophobicContact CD1-CG2 4.12Å; I547-V557 HydrophobicContact CG2-CG2 4.24Å; V555-V557 HydrophobicContact CG1-CG2 3.98Å; V557-V559 HydrophobicContact CG1-CG2 4.45Å; V557-A577 WeakPolarHBondContact O-CA 3.46Å; V557-I578 HydrophobicContact CB-CG2 4Å; V557-I578 PolarHBondContact N-O 3.13Å; V557-I578 WeakPolarHBondContact O-CG2 3.11Å; V557-I578 PolarHBondContact O-N 3.34Å; V557-E606 HydrophobicContact CG1-CB 4.12Å
558H84.8Confident88.2Confident11 Ų1152.7 Ų52.75%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-88.7136169.7-73.8-76000110.6L32 A577 E606 T607 L609L32-H558 WeakPolarHBondContact CB-CE1 3.3Å; L32-H558 HydrophobicContact CD1-CB 4.09Å; L32-H558 VanDerWaalsContact CD1-ND1 3.34Å; L32-H558 WeakPolarHBondContact CD1-ND1 3.26Å; L32-H558 WeakPolarHBondContact CD2-CE1 3.09Å; L32-H558 WeakPolarHBondContact CD2-ND1 3.26Å; L32-H558 WeakPolarHBondContact CG-ND1 3.47Å; H558-A577 WeakPolarHBondContact CE1-CB 3.44Å; H558-E606 CarbonylContact O-C 3.58Å; H558-E606 WeakPolarHBondContact O-CA 3.18Å; H558-T607 PolarHBondContact N-O 3.38Å; H558-T607 PolarHBondContact O-N 3.13Å; H558-L609 VanDerWaalsContact CD2-CG 3.49Å; H558-L609 WeakPolarHBondContact CD2-CG 3.2Å; H558-L609 WeakPolarHBondContact NE2-CD1 3.17Å; H558-L609 WeakPolarHBondContact NE2-CG 3.23Å
559V86.8Confident88Confident2 Ų253 Ų531%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-121.2120.7-178.1179.10000106.7V557 M575 F576 I578 C588V557-V559 HydrophobicContact CG1-CG2 4.45Å; V559-M575 WeakPolarHBondContact O-CA 3.41Å; V559-F576 HydrophobicContact CB-CD2 4.18Å; V559-F576 HydrophobicContact CB-CE1 4.14Å; V559-F576 HydrophobicContact CB-CE2 3.71Å; V559-F576 HydrophobicContact CB-CZ 3.67Å; V559-F576 HydrophobicContact CG1-CE1 3.88Å; V559-F576 HydrophobicContact CG1-CE2 4.03Å; V559-F576 HydrophobicContact CG1-CZ 3.48Å; V559-F576 VanDerWaalsContact CG1-CZ 3.48Å; V559-F576 HydrophobicContact CG2-CD2 4.47Å; V559-F576 HydrophobicContact CG2-CE2 3.84Å; V559-F576 HydrophobicContact CG2-CZ 4.16Å; V559-F576 PolarHBondContact N-O 3.28Å; V559-F576 PolarHBondContact O-N 3.25Å; V559-F576 VanDerWaalsContact O-N 3.12Å; V559-I578 HydrophobicContact CG2-CG2 4.46Å; V559-C588 WeakPolarHBondContact CG2-SG 3.27Å
560N86.8Confident87.8Confident46 Ų4654.6 Ų54.625%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-121.6112.3178.9-177.9-12.7000110.3E562 M575 C604 V605N560-E562 PolarHBondContact ND2-OE2 3.35Å; N560-E562 VanDerWaalsContact OD1-CB 3.25Å; N560-E562 WeakPolarHBondContact OD1-CB 3.45Å; N560-E562 VanDerWaalsContact OD1-CG 3.31Å; N560-E562 WeakPolarHBondContact OD1-CG 3.46Å; N560-E562 PolarHBondContact OD1-N 3.49Å; N560-M575 HydrophobicContact CB-CG 4.1Å; N560-M575 HydrophobicContact CB-SD 4.27Å; N560-M575 PolarHBondContact ND2-SD 3.49Å; N560-M575 VanDerWaalsContact ND2-SD 3.39Å; N560-C604 CarbonylContact O-C 3.55Å; N560-C604 WeakPolarHBondContact O-CA 3.4Å; N560-V605 HydrophobicContact CB-CB 4.4Å; N560-V605 PolarHBondContact N-O 3.48Å; N560-V605 PolarHBondContact O-N 2.84Å
561N85.8Confident87.3Confident12 Ų1254.2 Ų54.26%0.06427%0.265CS..  trans-106.311.9175.8-51.5-63.5000113.1Q563 S564 A574 Q589 N603 C604N561-Q563 PolarHBondContact O-N 3.2Å; N561-S564 WeakPolarHBondContact O-CA 3.43Å; N561-S564 WeakPolarHBondContact O-CB 3.49Å; N561-S564 PolarHBondContact O-N 3.28Å; N561-S564 PolarHBondContact O-OG 2.77Å; N561-S564 VanDerWaalsContact O-OG 3.08Å; N561-A574 WeakPolarHBondContact CA-O 3.37Å; N561-A574 WeakPolarHBondContact CB-O 3.44Å; N561-A574 PolarHBondContact N-O 2.89Å; N561-Q589 PolarHBondContact ND2-OE1 3.2Å; N561-Q589 PolarHBondContact OD1-NE2 3.45Å; N561-N603 WeakPolarHBondContact CA-O 3.32Å; N561-C604 WeakPolarHBondContact OD1-CB 3.27Å; N561-C604 PolarHBondContact OD1-SG 3.09Å
562E86.4Confident86.8Confident79 Ų7955.5 Ų55.537%0.36928%0.28SS..THydrogen-bonded Turntrans-56.6-25.2-175.5-73.9-176.6133.500113.8R21 N560 S564 A574 M575R21-E562 IonicContact CZ-OE1 3.98Å; R21-E562 IonicContact NH1-OE1 3.23Å; R21-E562 IonicContact NH2-OE1 2.84Å; R21-E562 PolarHBondContact NH2-OE1 3.49Å; N560-E562 PolarHBondContact ND2-OE2 3.35Å; N560-E562 VanDerWaalsContact OD1-CB 3.25Å; N560-E562 WeakPolarHBondContact OD1-CB 3.45Å; N560-E562 VanDerWaalsContact OD1-CG 3.31Å; N560-E562 WeakPolarHBondContact OD1-CG 3.46Å; N560-E562 PolarHBondContact OD1-N 3.49Å; E562-S564 VanDerWaalsContact C-N 3.29Å; E562-A574 HydrophobicContact CG-CB 4.3Å; E562-M575 VanDerWaalsContact CD-SD 3.55Å; E562-M575 HydrophobicContact CG-CE 4.33Å; E562-M575 HydrophobicContact CG-CG 3.71Å; E562-M575 HydrophobicContact CG-SD 3.97Å; E562-M575 WeakPolarHBondContact OE1-CE 3.28Å
563Q85.5Confident86.2Confident105 Ų10551.5 Ų51.549%0.49126%0.258SS..THydrogen-bonded Turntrans-85.9-3.8177.6-63.6-173.9-0.500113N561 N603N561-Q563 PolarHBondContact O-N 3.2Å; Q563-N603 HydrophobicContact CB-CB 3.85Å; Q563-N603 WeakPolarHBondContact CB-ND2 3.41Å; Q563-N603 PolarHBondContact OE1-ND2 3.46Å
564S88.1Confident85.8Confident24 Ų2447.8 Ų47.817%0.16825%0.249CC..  trans-73143.2175.2-56.40000110.4N561 E562 V601 N603N561-S564 WeakPolarHBondContact O-CA 3.43Å; N561-S564 WeakPolarHBondContact O-CB 3.49Å; N561-S564 PolarHBondContact O-N 3.28Å; N561-S564 PolarHBondContact O-OG 2.77Å; N561-S564 VanDerWaalsContact O-OG 3.08Å; E562-S564 VanDerWaalsContact C-N 3.29Å; S564-V601 CarbonylContact C-O 3.53Å; S564-V601 WeakPolarHBondContact CA-O 3.42Å; S564-V601 WeakPolarHBondContact CB-O 3.44Å; S564-N603 PolarHBondContact OG-N 3.17Å; S564-N603 PolarHBondContact OG-O 3.01Å; S564-N603 VanDerWaalsContact OG-O 3.1Å
565R89.2Confident85.6Confident189 Ų18944.1 Ų44.171%0.71324%0.235SC*.BIsolated β-bridgetrans-127.1141.7-178.7-62.5-174.5-177.9-160.10.6109.9C567 V601R565-C567 PolarHBondContact O-N 2.79Å; R565-C567 PolarHBondContact O-SG 2.95Å; R565-V601 HydrophobicContact CB-CB 4.42Å; R565-V601 PolarHBondContact N-O 2.8Å; R565-V601 PolarHBondContact O-N 2.92Å
566N89.3Confident85.4Confident33 Ų3344.4 Ų44.418%0.17624%0.235CC..SBendtrans5440.8-176.7-175.626.9000111.7P593 I594 N595 Q598 E599 W600N566-P593 CarbonylContact O-C 3.43Å; N566-P593 WeakPolarHBondContact O-CA 3.42Å; N566-I594 PolarHBondContact O-N 3.21Å; N566-I594 WeakPolarHBondContact OD1-CB 3.4Å; N566-I594 PolarHBondContact OD1-N 3.4Å; N566-N595 PolarHBondContact ND2-O 3.14Å; N566-N595 PolarHBondContact OD1-N 2.96Å; N566-Q598 WeakPolarHBondContact ND2-CB 3.46Å; N566-Q598 PolarHBondContact ND2-O 3.43Å; N566-E599 PolarHBondContact ND2-O 2.88Å; N566-W600 HydrophobicContact CB-CB 3.91Å; N566-W600 WeakPolarHBondContact O-CB 3.32Å
567C89.9Confident85.3Confident27 Ų2745 Ų4518%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-124.9136.6-176-65.40000110.9R565 V591 L592 I594 W600 V601R565-C567 PolarHBondContact O-N 2.79Å; R565-C567 PolarHBondContact O-SG 2.95Å; C567-V591 HydrophobicContact CB-CG1 3.77Å; C567-L592 CarbonylContact C-O 3.5Å; C567-L592 WeakPolarHBondContact CA-O 3.49Å; C567-I594 WeakPolarHBondContact O-CD1 3.34Å; C567-W600 VanDerWaalsContact SG-CE3 3.57Å; C567-V601 PolarHBondContact SG-O 3.39Å
568C89.8Confident85.2Confident28 Ų2845.6 Ų45.619%0.18925%0.246CC..EExtended strand (participates in β ladder)trans-113.5147.5163.362.10000110.1V591 L592 I594C568-V591 VanDerWaalsContact O-CA 3.29Å; C568-V591 WeakPolarHBondContact O-CA 3.14Å; C568-V591 WeakPolarHBondContact O-CG1 3.46Å; C568-L592 PolarHBondContact N-O 2.98Å; C568-L592 PolarHBondContact O-N 2.87Å; C568-I594 HydrophobicContact CB-CG1 4Å
569S89.4Confident85.3Confident14 Ų1449.8 Ų49.810%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-115.7145.4-178.1175.60000110.9R571 G572 H590S569-R571 PolarHBondContact O-N 3.48Å; S569-R571 VanDerWaalsContact O-N 3.15Å; S569-R571 PolarHBondContact OG-N 3.13Å; S569-G572 PolarHBondContact O-N 2.9Å; S569-H590 WeakPolarHBondContact CA-O 3.44Å
570S88Confident85.3Confident34 Ų3449.7 Ų49.724%0.23827%0.265CS..THydrogen-bonded Turntrans-62.5-17.6173.165.60000112.8S351 C353 H590S351-S570 WeakPolarHBondContact O-CB 3.34Å; C353-S570 PolarHBondContact SG-N 3.13Å; S570-H590 PolarHBondContact N-O 3.24Å; S570-H590 PolarHBondContact OG-N 3.01Å
571R82.7Confident85.4Confident114 Ų11450.6 Ų50.643%0.4327%0.274SS..THydrogen-bonded Turntrans-84.3-10.7173.9-62.1-62.6-175.8176.3-2.6113.5S569 M573 F576 V587 C588 Q589S569-R571 PolarHBondContact O-N 3.48Å; S569-R571 VanDerWaalsContact O-N 3.15Å; S569-R571 PolarHBondContact OG-N 3.13Å; R571-M573 WeakPolarHBondContact O-CG 3.4Å; R571-M573 PolarHBondContact O-N 3.39Å; R571-F576 HydrophobicContact CB-CD1 4.06Å; R571-F576 HydrophobicContact CB-CE1 3.97Å; R571-F576 HydrophobicContact CB-CZ 4.38Å; R571-F576 HydrophobicContact CG-CD1 4.24Å; R571-F576 HydrophobicContact CG-CD2 4.38Å; R571-F576 HydrophobicContact CG-CE1 3.86Å; R571-F576 HydrophobicContact CG-CE2 4.01Å; R571-F576 HydrophobicContact CG-CG 4.5Å; R571-F576 HydrophobicContact CG-CZ 3.75Å; R571-V587 PolarHBondContact NH2-O 3.32Å; R571-C588 PolarHBondContact NE-O 3.33Å; R571-C588 PolarHBondContact NH2-O 3Å; R571-Q589 HydrophobicContact CG-CB 4.32Å
572G78.4Confident85.6Confident47 Ų4752 Ų5249%0.48529%0.287SS..SBendtrans66.81.7-173.500000115S569S569-G572 PolarHBondContact O-N 2.9Å
573M77.8Confident85.8Confident32 Ų3257.5 Ų57.516%0.15831%0.305CS..  trans-128.4140-172.7-58.9174.683.400111.5Y17 F70 R571 F576Y17-M573 HydrophobicContact CD1-CE 4.24Å; Y17-M573 HydrophobicContact CE1-CE 4.35Å; Y17-M573 HydrophobicContact CE1-SD 4.48Å; F70-M573 HydrophobicContact CD1-CE 3.69Å; F70-M573 HydrophobicContact CE1-CE 3.44Å; F70-M573 VanDerWaalsContact CE1-CE 3.44Å; R571-M573 WeakPolarHBondContact O-CG 3.4Å; R571-M573 PolarHBondContact O-N 3.39Å; M573-F576 HydrophobicContact CB-CD1 4.36Å
574A78.3Confident86.1Confident52 Ų5253.7 Ų53.743%0.4329%0.291SS..SBendtrans-74.7-27.3173.700000112.5N561 E562N561-A574 WeakPolarHBondContact CA-O 3.37Å; N561-A574 WeakPolarHBondContact CB-O 3.44Å; N561-A574 PolarHBondContact N-O 2.89Å; E562-A574 HydrophobicContact CG-CB 4.3Å
575M82.1Confident86.2Confident39 Ų3957.6 Ų57.619%0.19231%0.305CS..EExtended strand (participates in β ladder)trans-134.5135.8174.9-64.5-164.8-67.400111V559 N560 E562V559-M575 WeakPolarHBondContact O-CA 3.41Å; N560-M575 HydrophobicContact CB-CG 4.1Å; N560-M575 HydrophobicContact CB-SD 4.27Å; N560-M575 PolarHBondContact ND2-SD 3.49Å; N560-M575 VanDerWaalsContact ND2-SD 3.39Å; E562-M575 VanDerWaalsContact CD-SD 3.55Å; E562-M575 HydrophobicContact CG-CE 4.33Å; E562-M575 HydrophobicContact CG-CG 3.71Å; E562-M575 HydrophobicContact CG-SD 3.97Å; E562-M575 WeakPolarHBondContact OE1-CE 3.28Å
576F83.3Confident86.2Confident14 Ų1451.4 Ų51.46%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-156.3169177.254.8-88.2000110.6V559 R571 M573 Q589V559-F576 HydrophobicContact CB-CD2 4.18Å; V559-F576 HydrophobicContact CB-CE1 4.14Å; V559-F576 HydrophobicContact CB-CE2 3.71Å; V559-F576 HydrophobicContact CB-CZ 3.67Å; V559-F576 HydrophobicContact CG1-CE1 3.88Å; V559-F576 HydrophobicContact CG1-CE2 4.03Å; V559-F576 HydrophobicContact CG1-CZ 3.48Å; V559-F576 VanDerWaalsContact CG1-CZ 3.48Å; V559-F576 HydrophobicContact CG2-CD2 4.47Å; V559-F576 HydrophobicContact CG2-CE2 3.84Å; V559-F576 HydrophobicContact CG2-CZ 4.16Å; V559-F576 PolarHBondContact N-O 3.28Å; V559-F576 PolarHBondContact O-N 3.25Å; V559-F576 VanDerWaalsContact O-N 3.12Å; R571-F576 HydrophobicContact CB-CD1 4.06Å; R571-F576 HydrophobicContact CB-CE1 3.97Å; R571-F576 HydrophobicContact CB-CZ 4.38Å; R571-F576 HydrophobicContact CG-CD1 4.24Å; R571-F576 HydrophobicContact CG-CD2 4.38Å; R571-F576 HydrophobicContact CG-CE1 3.86Å; R571-F576 HydrophobicContact CG-CE2 4.01Å; R571-F576 HydrophobicContact CG-CG 4.5Å; R571-F576 HydrophobicContact CG-CZ 3.75Å; M573-F576 HydrophobicContact CB-CD1 4.36Å; F576-Q589 HydrophobicContact CZ-CB 3.96Å; F576-Q589 HydrophobicContact CZ-CG 4.22Å
577A84.1Confident86.3Confident43 Ų4350.7 Ų50.736%0.35528%0.282SS..EExtended strand (participates in β ladder)trans-114.3142.4173.500000109.1T556 V557 H558T556-A577 HydrophobicContact CG2-CB 4.13Å; V557-A577 WeakPolarHBondContact O-CA 3.46Å; H558-A577 WeakPolarHBondContact CE1-CB 3.44Å
578I82.3Confident86.2Confident12 Ų1249.5 Ų49.56%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-126.9124.1175.7-167.2168.4000109.9I547 T556 V557 V559 V580 M586 C588I547-I578 HydrophobicContact CD1-CG2 3.46Å; I547-I578 VanDerWaalsContact CD1-CG2 3.46Å; T556-I578 WeakPolarHBondContact CA-O 3.37Å; V557-I578 HydrophobicContact CB-CG2 4Å; V557-I578 PolarHBondContact N-O 3.13Å; V557-I578 WeakPolarHBondContact O-CG2 3.11Å; V557-I578 PolarHBondContact O-N 3.34Å; V559-I578 HydrophobicContact CG2-CG2 4.46Å; I578-V580 HydrophobicContact CG2-CG2 4.3Å; I578-M586 HydrophobicContact CD1-CG 3.88Å; I578-M586 HydrophobicContact CD1-SD 3.44Å; I578-M586 WeakPolarHBondContact CD1-SD 3.49Å; I578-M586 HydrophobicContact CG1-SD 3.52Å; I578-M586 VanDerWaalsContact CG1-SD 3.52Å; I578-C588 HydrophobicContact CD1-CB 4.35Å
579E87.1Confident86.3Confident99 Ų9948.2 Ų48.246%0.46327%0.265SS..EExtended strand (participates in β ladder)trans-85.5117.5171.5-65.5-153.2158.200109.4K554 T556 M586K554-E579 IonicContact NZ-OE1 3.78Å; K554-E579 PolarHBondContact NZ-OE1 2.81Å; K554-E579 IonicContact NZ-OE2 3.44Å; K554-E579 PolarHBondContact NZ-OE2 2.94Å; T556-E579 HydrophobicContact CG2-CG 4.48Å; E579-M586 WeakPolarHBondContact O-CE 3.26Å
580V86.9Confident86.5Confident0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-105.6113.4177.4-170.10000108.5I547 N549 K554 V555 I578 M586I547-V580 HydrophobicContact CB-CG2 4.04Å; I547-V580 HydrophobicContact CD1-CG2 4.23Å; I547-V580 HydrophobicContact CG2-CB 4.45Å; I547-V580 HydrophobicContact CG2-CG1 4.39Å; I547-V580 HydrophobicContact CG2-CG2 3.8Å; N549-V580 HydrophobicContact CB-CB 4.21Å; N549-V580 HydrophobicContact CB-CG1 3.59Å; N549-V580 PolarHBondContact ND2-O 3.11Å; K554-V580 WeakPolarHBondContact CA-O 3.33Å; V555-V580 PolarHBondContact N-O 3.26Å; V555-V580 PolarHBondContact O-N 2.87Å; I578-V580 HydrophobicContact CG2-CG2 4.3Å; V580-M586 HydrophobicContact CG1-CB 4.25Å; V580-M586 HydrophobicContact CG2-CB 4.43Å
581P89.3Confident86.7Confident65 Ų6547 Ų4742%0.42225%0.254SS..  trans-57.1159.8179.3-24.633.6000112.8N549 R583 A584N549-P581 WeakPolarHBondContact CB-O 3.27Å; N549-P581 PolarHBondContact ND2-O 2.75Å; P581-R583 PolarHBondContact O-N 3.2Å; P581-A584 HydrophobicContact CB-CB 3.89Å; P581-A584 HydrophobicContact CG-CB 4.3Å; P581-A584 WeakPolarHBondContact O-CB 3.16Å; P581-A584 PolarHBondContact O-N 3.31Å
582A89.1Confident87.1Confident43 Ų4341.7 Ų41.736%0.35524%0.235SC..THydrogen-bonded Turntrans-57.2138.817300000110.4A551 N552 A584A551-A582 WeakPolarHBondContact O-CA 3.18Å; N552-A582 VanDerWaalsContact C-CB 3.46Å; A582-A584 PolarHBondContact O-N 2.85Å; A582-A584 VanDerWaalsContact O-N 3.15Å
583R90.8Very high87.6Confident193 Ų19339.7 Ų39.773%0.72821%0.213SC*.THydrogen-bonded Turntrans55.129.1178.5-54.7-176.5176.8-164.5-0.6114.5N549 A551 N552 P581N549-R583 CarbonylContact O-C 3.6Å; N549-R583 WeakPolarHBondContact O-CA 3.41Å; N549-R583 PolarHBondContact O-N 3.28Å; N549-R583 VanDerWaalsContact O-N 3.11Å; A551-R583 PolarHBondContact O-N 3.02Å; A551-R583 VanDerWaalsContact O-N 3.12Å; N552-R583 PolarHBondContact OD1-NE 3.1Å; N552-R583 PolarHBondContact OD1-NH2 3.31Å; P581-R583 PolarHBondContact O-N 3.2Å
584A91.2Very high88Confident26 Ų2643.2 Ų43.222%0.21523%0.232CC..  trans-115.1160.2-177.500000113.1N549 P581 A582N549-A584 PolarHBondContact N-O 2.82Å; N549-A584 PolarHBondContact O-N 3.28Å; P581-A584 HydrophobicContact CB-CB 3.89Å; P581-A584 HydrophobicContact CG-CB 4.3Å; P581-A584 WeakPolarHBondContact O-CB 3.16Å; P581-A584 PolarHBondContact O-N 3.31Å; A582-A584 PolarHBondContact O-N 2.85Å; A582-A584 VanDerWaalsContact O-N 3.15Å
585K90.6Very high88.4Confident106 Ų10643.6 Ų43.646%0.46123%0.226SC..EExtended strand (participates in β ladder)trans-117.8133.3170.3-56.4-176.6-176.7172.90108.1Q514 L546 I547 V548Q514-K585 PolarHBondContact NE2-O 3.21Å; L546-K585 HydrophobicContact CD1-CB 4.35Å; I547-K585 WeakPolarHBondContact O-CA 3.38Å; V548-K585 HydrophobicContact CB-CG 4.43Å; V548-K585 HydrophobicContact CG1-CG 4.07Å; V548-K585 HydrophobicContact CG2-CB 4.39Å; V548-K585 HydrophobicContact CG2-CD 4.27Å; V548-K585 HydrophobicContact CG2-CG 3.94Å
586M90.3Very high88.3Confident58 Ų5844.6 Ų44.629%0.28623%0.231SC..EExtended strand (participates in β ladder)trans-138.6125.7-178.7-169.1174.7-71.400110.7L546 I547 I578 E579 V580 C588L546-M586 VanDerWaalsContact CD1-C 3.49Å; L546-M586 WeakPolarHBondContact CD1-O 3.15Å; I547-M586 PolarHBondContact N-O 3.1Å; I547-M586 PolarHBondContact O-N 2.95Å; I578-M586 HydrophobicContact CD1-CG 3.88Å; I578-M586 HydrophobicContact CD1-SD 3.44Å; I578-M586 WeakPolarHBondContact CD1-SD 3.49Å; I578-M586 HydrophobicContact CG1-SD 3.52Å; I578-M586 VanDerWaalsContact CG1-SD 3.52Å; E579-M586 WeakPolarHBondContact O-CE 3.26Å; V580-M586 HydrophobicContact CG1-CB 4.25Å; V580-M586 HydrophobicContact CG2-CB 4.43Å; M586-C588 PolarHBondContact O-N 3.3Å
587V90.2Very high88.2Confident18 Ų1852.3 Ų52.311%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-69.4117.7172-179.50000107.3L513 Q514 I517 L546 R571L513-V587 HydrophobicContact CD2-CG1 4.26Å; L513-V587 HydrophobicContact CD2-CG2 3.88Å; L513-V587 HydrophobicContact CG-CG2 4.12Å; Q514-V587 HydrophobicContact CG-CG2 4.25Å; I517-V587 HydrophobicContact CD1-CG2 4.28Å; L546-V587 HydrophobicContact CD1-CG2 3.83Å; R571-V587 PolarHBondContact NH2-O 3.32Å
588C89.3Confident88.2Confident3 Ų355.6 Ų55.62%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-79.1-53.7-171.9177.70000110.9S545 I547 V559 R571 I578 M586S545-C588 VanDerWaalsContact O-CB 3.29Å; S545-C588 WeakPolarHBondContact O-CB 3.48Å; S545-C588 PolarHBondContact O-N 2.89Å; I547-C588 HydrophobicContact CD1-CB 3.93Å; I547-C588 HydrophobicContact CG1-CB 4.14Å; V559-C588 WeakPolarHBondContact CG2-SG 3.27Å; R571-C588 PolarHBondContact NE-O 3.33Å; R571-C588 PolarHBondContact NH2-O 3Å; I578-C588 HydrophobicContact CD1-CB 4.35Å; M586-C588 PolarHBondContact O-N 3.3Å
589Q91.2Very high88.3Confident1 Ų160.6 Ų60.61%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-161155.3-17755.6177.1-9.200111.1S544 S545 N561 R571 F576 V591 Y602S544-Q589 WeakPolarHBondContact CA-O 3.45Å; S545-Q589 PolarHBondContact N-O 2.9Å; N561-Q589 PolarHBondContact ND2-OE1 3.2Å; N561-Q589 PolarHBondContact OD1-NE2 3.45Å; R571-Q589 HydrophobicContact CG-CB 4.32Å; F576-Q589 HydrophobicContact CZ-CB 3.96Å; F576-Q589 HydrophobicContact CZ-CG 4.22Å; Q589-V591 HydrophobicContact CG-CG2 4.37Å; Q589-Y602 PolarHBondContact NE2-OH 3.47Å
590H92.8Very high88.4Confident17 Ų1756.3 Ų56.38%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-109.7144.7159.8-55.2-71.7000108.9F349 C353 I543 S544 S569 S570F349-H590 AromaticContact CZ-CE1 3.72Å; F349-H590 AromaticContact CZ-NE2 3.74Å; C353-H590 PolarHBondContact SG-O 3.11Å; I543-H590 CarbonylContact O-C 3.56Å; I543-H590 WeakPolarHBondContact O-CA 3.39Å; S544-H590 WeakPolarHBondContact CB-ND1 3.39Å; S544-H590 PolarHBondContact OG-ND1 2.97Å; S569-H590 WeakPolarHBondContact CA-O 3.44Å; S570-H590 PolarHBondContact N-O 3.24Å; S570-H590 PolarHBondContact OG-N 3.01Å
591V92.5Very high88.4Confident4 Ų457.9 Ų57.92%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-132.7130.5177.7-174.70000109.2I543 C567 C568 Q589 W600 Y602I543-V591 HydrophobicContact CB-CB 4.43Å; I543-V591 PolarHBondContact N-O 3.46Å; I543-V591 PolarHBondContact O-N 3.38Å; C567-V591 HydrophobicContact CB-CG1 3.77Å; C568-V591 VanDerWaalsContact O-CA 3.29Å; C568-V591 WeakPolarHBondContact O-CA 3.14Å; C568-V591 WeakPolarHBondContact O-CG1 3.46Å; Q589-V591 HydrophobicContact CG-CG2 4.37Å; V591-W600 HydrophobicContact CG1-CZ3 4.03Å; V591-Y602 HydrophobicContact CB-CD2 4.28Å; V591-Y602 HydrophobicContact CB-CE2 4.31Å; V591-Y602 HydrophobicContact CG1-CD2 4.05Å; V591-Y602 HydrophobicContact CG1-CE2 4.47Å; V591-Y602 HydrophobicContact CG2-CD2 4.13Å; V591-Y602 HydrophobicContact CG2-CE2 3.72Å
592L91.4Very high88.3Confident4 Ų454.8 Ų54.82%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-121.2159.2175.1-61.1174.8000109.6D304 C353 R354 H541 R542 C567 C568D304-L592 HydrophobicContact CB-CD1 3.98Å; D304-L592 HydrophobicContact CB-CD2 4.1Å; D304-L592 WeakPolarHBondContact OD1-CD1 3.37Å; C353-L592 HydrophobicContact CB-CD1 3.57Å; C353-L592 HydrophobicContact CB-CG 4.04Å; R354-L592 HydrophobicContact CG-CD1 4.44Å; H541-L592 WeakPolarHBondContact O-CD2 3.43Å; R542-L592 HydrophobicContact CB-CD2 3.73Å; R542-L592 HydrophobicContact CG-CD2 3.85Å; C567-L592 CarbonylContact C-O 3.5Å; C567-L592 WeakPolarHBondContact CA-O 3.49Å; C568-L592 PolarHBondContact N-O 2.98Å; C568-L592 PolarHBondContact O-N 2.87Å
593P89.7Confident88.2Confident4 Ų454 Ų543%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-65.1145.716627-34.1000111.5R354 H541 N566 E596 W600R354-P593 PolarHBondContact NH2-O 2.99Å; H541-P593 WeakPolarHBondContact O-CD 3.19Å; N566-P593 CarbonylContact O-C 3.43Å; N566-P593 WeakPolarHBondContact O-CA 3.42Å; P593-E596 HydrophobicContact CB-CG 4.42Å; P593-E596 HydrophobicContact CG-CG 3.58Å; P593-W600 HydrophobicContact CB-CB 4.16Å; P593-W600 HydrophobicContact CB-CD2 3.95Å; P593-W600 HydrophobicContact CB-CG 3.75Å; P593-W600 HydrophobicContact CG-CD2 4.46Å
594I86.5Confident88.1Confident107 Ų10744.8 Ų44.855%0.54922%0.219SC..SBendtrans-71.2-45.8169.4-65.4168.4000109.2N566 C567 C568N566-I594 PolarHBondContact O-N 3.21Å; N566-I594 WeakPolarHBondContact OD1-CB 3.4Å; N566-I594 PolarHBondContact OD1-N 3.4Å; C567-I594 WeakPolarHBondContact O-CD1 3.34Å; C568-I594 HydrophobicContact CB-CG1 4Å
595N85.1Confident87.8Confident59 Ų5945 Ų4532%0.31622%0.218SC..  trans-124.4111176.3-175.5-11.6000110.3N566 K597 Q598N566-N595 PolarHBondContact ND2-O 3.14Å; N566-N595 PolarHBondContact OD1-N 2.96Å; N595-K597 PolarHBondContact O-N 3.31Å; N595-K597 WeakPolarHBondContact OD1-CB 3.33Å; N595-K597 PolarHBondContact OD1-N 2.89Å; N595-Q598 HydrophobicContact CB-CB 4.41Å; N595-Q598 HydrophobicContact CB-CG 4.4Å; N595-Q598 PolarHBondContact ND2-NE2 3.29Å; N595-Q598 PolarHBondContact O-N 2.65Å; N595-Q598 VanDerWaalsContact O-N 3.16Å
596E79.9Confident87.7Confident61 Ų6140.2 Ų40.229%0.28520%0.197SC..THydrogen-bonded Turntrans-68.2-16.2-179-69.5174.8-152.500114S233 K328 R354 P593 Q598S233-E596 PolarHBondContact OG-O 3.04Å; K328-E596 IonicContact NZ-OE1 3.59Å; K328-E596 PolarHBondContact NZ-OE1 3.37Å; K328-E596 IonicContact NZ-OE2 2.62Å; K328-E596 PolarHBondContact NZ-OE2 3.49Å; R354-E596 IonicContact CZ-OE1 3.24Å; R354-E596 IonicContact NH1-OE1 3.59Å; R354-E596 PolarHBondContact NH1-OE1 3.34Å; R354-E596 IonicContact NH2-OE1 2.94Å; R354-E596 PolarHBondContact NH2-OE1 2.92Å; P593-E596 HydrophobicContact CB-CG 4.42Å; P593-E596 HydrophobicContact CG-CG 3.58Å; E596-Q598 VanDerWaalsContact C-N 3.32Å
597K82.5Confident87.4Confident176 Ų17638.4 Ų38.477%0.76519%0.189SC*.THydrogen-bonded Turntrans-82.9-12.8176.5-58.2-178.7180177.10112.4N595N595-K597 PolarHBondContact O-N 3.31Å; N595-K597 WeakPolarHBondContact OD1-CB 3.33Å; N595-K597 PolarHBondContact OD1-N 2.89Å
598Q83.9Confident86.7Confident112 Ų11238 Ų3852%0.52319%0.187SC..SBendtrans-107.4155.8178.5-67.5178.8-1.300110.4N566 N595 E596N566-Q598 WeakPolarHBondContact ND2-CB 3.46Å; N566-Q598 PolarHBondContact ND2-O 3.43Å; N595-Q598 HydrophobicContact CB-CB 4.41Å; N595-Q598 HydrophobicContact CB-CG 4.4Å; N595-Q598 PolarHBondContact ND2-NE2 3.29Å; N595-Q598 PolarHBondContact O-N 2.65Å; N595-Q598 VanDerWaalsContact O-N 3.16Å; E596-Q598 VanDerWaalsContact C-N 3.32Å
599E84.5Confident85.5Confident116 Ų11640.1 Ų40.154%0.54220%0.198SC..  trans-61.8144.9170-174.7178.6-170.700110.1T229 N566T229-E599 HydrophobicContact CG2-CG 4.22Å; T229-E599 WeakPolarHBondContact CG2-OE1 3.45Å; N566-E599 PolarHBondContact ND2-O 2.88Å
600W88.4Confident83.7Confident9 Ų945 Ų453%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-132.5142.3174.866.1-68.5000111.3V230 I543 N566 C567 V591 P593V230-W600 HydrophobicContact CB-CD2 4.23Å; V230-W600 HydrophobicContact CB-CG 4.31Å; V230-W600 HydrophobicContact CB-CZ2 4.09Å; V230-W600 VanDerWaalsContact CB-NE1 3.26Å; V230-W600 HydrophobicContact CG1-CZ2 4.23Å; V230-W600 HydrophobicContact CG2-CD2 4.48Å; V230-W600 HydrophobicContact CG2-CZ2 3.83Å; V230-W600 PolarHBondContact N-O 3.24Å; V230-W600 PolarHBondContact O-N 3.2Å; I543-W600 HydrophobicContact CB-CH2 4.3Å; I543-W600 HydrophobicContact CD1-CH2 3.51Å; I543-W600 HydrophobicContact CD1-CZ2 4.36Å; I543-W600 HydrophobicContact CD1-CZ3 3.73Å; I543-W600 HydrophobicContact CG1-CH2 3.68Å; I543-W600 HydrophobicContact CG1-CZ3 4.28Å; N566-W600 HydrophobicContact CB-CB 3.91Å; N566-W600 WeakPolarHBondContact O-CB 3.32Å; C567-W600 VanDerWaalsContact SG-CE3 3.57Å; V591-W600 HydrophobicContact CG1-CZ3 4.03Å; P593-W600 HydrophobicContact CB-CB 4.16Å; P593-W600 HydrophobicContact CB-CD2 3.95Å; P593-W600 HydrophobicContact CB-CG 3.75Å; P593-W600 HydrophobicContact CG-CD2 4.46Å
601V86.6Confident81.4Confident34 Ų3447.9 Ų47.921%0.20625%0.252CS..EExtended strand (participates in β ladder)trans-120.9113.7-176.1-178.90000107.6T229 S564 R565 C567T229-V601 HydrophobicContact CG2-CG2 4.19Å; S564-V601 CarbonylContact C-O 3.53Å; S564-V601 WeakPolarHBondContact CA-O 3.42Å; S564-V601 WeakPolarHBondContact CB-O 3.44Å; R565-V601 HydrophobicContact CB-CB 4.42Å; R565-V601 PolarHBondContact N-O 2.8Å; R565-V601 PolarHBondContact O-N 2.92Å; C567-V601 PolarHBondContact SG-O 3.39Å
602Y88.4Confident78.8Confident0 Ų056.2 Ų56.20%030%0.303CS..EExtended strand (participates in β ladder)trans-90.6118.8170.2175-112.1000109.1S227 V228 T536 I543 S545 Q589 V591 C604S227-Y602 CarbonylContact C-O 3.44Å; S227-Y602 VanDerWaalsContact CA-O 3.32Å; S227-Y602 WeakPolarHBondContact CA-O 3.22Å; V228-Y602 HydrophobicContact CB-CD1 4.39Å; V228-Y602 HydrophobicContact CG2-CD1 4.21Å; V228-Y602 PolarHBondContact N-O 2.92Å; V228-Y602 PolarHBondContact O-N 2.78Å; T536-Y602 HydrophobicContact CG2-CE1 4.39Å; I543-Y602 HydrophobicContact CD1-CD1 3.75Å; I543-Y602 HydrophobicContact CD1-CG 3.7Å; I543-Y602 HydrophobicContact CG2-CD1 3.93Å; I543-Y602 HydrophobicContact CG2-CE1 3.72Å; I543-Y602 HydrophobicContact CG2-CG 4.37Å; S545-Y602 PolarHBondContact OG-OH 3Å; Q589-Y602 PolarHBondContact NE2-OH 3.47Å; V591-Y602 HydrophobicContact CB-CD2 4.28Å; V591-Y602 HydrophobicContact CB-CE2 4.31Å; V591-Y602 HydrophobicContact CG1-CD2 4.05Å; V591-Y602 HydrophobicContact CG1-CE2 4.47Å; V591-Y602 HydrophobicContact CG2-CD2 4.13Å; V591-Y602 HydrophobicContact CG2-CE2 3.72Å; Y602-C604 HydrophobicContact CE1-CB 3.77Å; Y602-C604 HydrophobicContact CE2-CB 3.73Å; Y602-C604 WeakPolarHBondContact OH-CB 3.38Å; Y602-C604 PolarHBondContact OH-SG 2.7Å
603N87.1Confident78.1Confident25 Ų2558.8 Ų58.813%0.13432%0.317CS..EExtended strand (participates in β ladder)trans-134.4102.5175.2-173.2-7.7000109.1N226 N561 Q563 S564N226-N603 WeakPolarHBondContact O-CA 3.34Å; N561-N603 WeakPolarHBondContact CA-O 3.32Å; Q563-N603 HydrophobicContact CB-CB 3.85Å; Q563-N603 WeakPolarHBondContact CB-ND2 3.41Å; Q563-N603 PolarHBondContact OE1-ND2 3.46Å; S564-N603 PolarHBondContact OG-N 3.17Å; S564-N603 PolarHBondContact OG-O 3.01Å; S564-N603 VanDerWaalsContact OG-O 3.1Å
604C87.8Confident77.5Confident0 Ų061.7 Ų61.70%033%0.332CS..EExtended strand (participates in β ladder)trans-112.2131-177.6178.50000110.2S225 N226 N560 N561 Y602 E606S225-C604 CarbonylContact C-O 3.47Å; S225-C604 WeakPolarHBondContact CA-O 3.24Å; N226-C604 PolarHBondContact N-O 3.41Å; N226-C604 PolarHBondContact O-N 3.39Å; N560-C604 CarbonylContact O-C 3.55Å; N560-C604 WeakPolarHBondContact O-CA 3.4Å; N561-C604 WeakPolarHBondContact OD1-CB 3.27Å; N561-C604 PolarHBondContact OD1-SG 3.09Å; Y602-C604 HydrophobicContact CE1-CB 3.77Å; Y602-C604 HydrophobicContact CE2-CB 3.73Å; Y602-C604 WeakPolarHBondContact OH-CB 3.38Å; Y602-C604 PolarHBondContact OH-SG 2.7Å; C604-E606 VanDerWaalsContact SG-CD 3.55Å; C604-E606 PolarHBondContact SG-OE1 3.13Å
605V86.2Confident77Confident32 Ų3259.2 Ų59.219%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-115.3114.4173.8-178.80000108.7L224 N560L224-V605 CarbonylContact O-C 3.52Å; L224-V605 WeakPolarHBondContact O-CA 3.33Å; L224-V605 WeakPolarHBondContact O-CG1 3.14Å; N560-V605 HydrophobicContact CB-CB 4.4Å; N560-V605 PolarHBondContact N-O 3.48Å; N560-V605 PolarHBondContact O-N 2.84Å
606E86.5Confident76.6Confident4 Ų459.2 Ų59.22%0.01932%0.321CS..EExtended strand (participates in β ladder)trans-97.9132.4175.7-52.991.416800111.1S223 L224 N226 L526 I534 V557 H558 C604S223-E606 CarbonylContact C-O 3.57Å; S223-E606 WeakPolarHBondContact CA-O 3.43Å; L224-E606 PolarHBondContact N-O 2.98Å; L224-E606 PolarHBondContact O-N 3.48Å; N226-E606 PolarHBondContact ND2-OE1 3.37Å; N226-E606 VanDerWaalsContact ND2-OE1 3.1Å; N226-E606 PolarHBondContact ND2-OE2 2.8Å; L526-E606 HydrophobicContact CD1-CB 4.16Å; I534-E606 HydrophobicContact CD1-CB 3.45Å; I534-E606 VanDerWaalsContact CD1-CB 3.45Å; I534-E606 HydrophobicContact CD1-CG 3.62Å; V557-E606 HydrophobicContact CG1-CB 4.12Å; H558-E606 CarbonylContact O-C 3.58Å; H558-E606 WeakPolarHBondContact O-CA 3.18Å; C604-E606 VanDerWaalsContact SG-CD 3.55Å; C604-E606 PolarHBondContact SG-OE1 3.13Å
607T84.8Confident76.3Confident20 Ų2059.1 Ų59.112%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-136.1135-178.5-500000110R221 S222 H558R221-T607 HydrophobicContact CB-CG2 4.06Å; R221-T607 HydrophobicContact CG-CG2 3.93Å; S222-T607 WeakPolarHBondContact O-CG2 3.35Å; H558-T607 PolarHBondContact N-O 3.38Å; H558-T607 PolarHBondContact O-N 3.13Å
608S76.7Confident75.9Confident9 Ų951.3 Ų51.36%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-81.6147.5170.9600000111.9H529H529-S608 WeakPolarHBondContact CD2-CB 3.25Å; H529-S608 PolarHBondContact CD2-OG 3.39Å; H529-S608 WeakPolarHBondContact NE2-CB 3.37Å; H529-S608 PolarHBondContact NE2-OG 3.02Å
609L62.6Low75.4Confident48 Ų4846.9 Ų46.925%0.25128%0.277SS..PPolyproline II helixtrans-92.3145.1159.7-77.9176.9000110.2T556 H558 S611T556-L609 PolarHBondContact O-N 2.56Å; H558-L609 VanDerWaalsContact CD2-CG 3.49Å; H558-L609 WeakPolarHBondContact CD2-CG 3.2Å; H558-L609 WeakPolarHBondContact NE2-CD1 3.17Å; H558-L609 WeakPolarHBondContact NE2-CG 3.23Å; L609-S611 PolarHBondContact O-N 3Å
610P53.5Low74.7Confident105 Ų10541.6 Ų41.668%0.68226%0.257SS*.PPolyproline II helixtrans-60.2127.8164.1-6.719000108.9T612P610-T612 PolarHBondContact O-N 3.14Å; P610-T612 VanDerWaalsContact O-N 3.17Å
611S45.2Very low73.5Confident76 Ų7644.3 Ų44.353%0.53128%0.275SS..PPolyproline II helixtrans-54.7118.9163.5-37.40000107.3L609L609-S611 PolarHBondContact O-N 3Å
612T36.9Very low72.3Confident179 Ų17945.3 Ų45.3100%1.09828%0.281SS*.  trans-90.60171.733.10000110.1K67 P610K67-T612 PolarHBondContact NZ-OG1 3.43Å; P610-T612 PolarHBondContact O-N 3.14Å; P610-T612 VanDerWaalsContact O-N 3.17Å

Retrieved 612 of 612 residues in 582 ms (Link to these results)

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