A0A087WVN7_HUMAN Loading...

HCG1988749

AlphaFold DB , UniProt , Accession A0A087WVN7, Species HUMAN (Homo sapiens, Human), Gene TRIM49D1, Length 375 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
1M37.6Very low60.5Low245 Ų245117.2 Ų117.2100%1.20761%0.611SS**  0107.50-81.5172.3169.800109.2
2N42.5Very low62.8Low112 Ų112118.8 Ų118.860%0.59961%0.614SS**  trans30.190.1162-68.3-10000120.3G4 I5N2-G4 PolarHBondContact O-N 3.09Å; N2-I5 HydrophobicContact CB-CB 4.04Å; N2-I5 HydrophobicContact CB-CD1 3.72Å; N2-I5 HydrophobicContact CB-CG1 3.78Å; N2-I5 VanDerWaalsContact ND2-CD1 3.32Å; N2-I5 WeakPolarHBondContact ND2-CD1 3.35Å; N2-I5 PolarHBondContact O-N 3.45Å
3S56.1Low65.1Low100 Ų100111.1 Ų111.170%0.69957%0.574SS**Hα-helixtrans-55.4-32.9164.8530000113.4S6 Q7S3-S6 PolarHBondContact O-N 3.33Å; S3-Q7 PolarHBondContact O-N 3.33Å
4G48.8Very low67.2Low39 Ų39106.1 Ų106.140%0.40255%0.551SS.*Hα-helixtrans-68-36178.400000114.3N2 Q7 V8N2-G4 PolarHBondContact O-N 3.09Å; G4-Q7 PolarHBondContact O-N 3.06Å; G4-V8 WeakPolarHBondContact O-CG2 3.3Å; G4-V8 PolarHBondContact O-N 3.28Å
5I53.8Low68.9Low91 Ų9199 Ų9947%0.46751%0.514SS..Hα-helixtrans-67.8-40.8176.9-66.4178000109.6N2 Q7 V8 F9N2-I5 HydrophobicContact CB-CB 4.04Å; N2-I5 HydrophobicContact CB-CD1 3.72Å; N2-I5 HydrophobicContact CB-CG1 3.78Å; N2-I5 VanDerWaalsContact ND2-CD1 3.32Å; N2-I5 WeakPolarHBondContact ND2-CD1 3.35Å; N2-I5 PolarHBondContact O-N 3.45Å; I5-Q7 PolarHBondContact O-N 3.3Å; I5-V8 PolarHBondContact O-N 3.44Å; I5-F9 HydrophobicContact CG2-CD2 3.63Å; I5-F9 HydrophobicContact CG2-CE2 3.66Å; I5-F9 VanDerWaalsContact O-CD2 3.29Å; I5-F9 WeakPolarHBondContact O-CD2 3.36Å; I5-F9 PolarHBondContact O-N 3.14Å; I5-F9 VanDerWaalsContact O-N 3.13Å
6S64.9Low70.2Confident67 Ų6795.9 Ų95.947%0.46950%0.502SS..Hα-helixtrans-61.6-38.9178.7-170.20000113.4S3 Q10S3-S6 PolarHBondContact O-N 3.33Å; S6-Q10 VanDerWaalsContact O-CG 3.27Å; S6-Q10 WeakPolarHBondContact O-CG 3.5Å; S6-Q10 PolarHBondContact O-N 2.89Å; S6-Q10 VanDerWaalsContact O-N 3.13Å
7Q62.7Low71.3Confident130 Ų13093.1 Ų93.161%0.60749%0.487SS*.Hα-helixtrans-71.9-37.6179.5-77.5178.3-12.500112.8S3 G4 I5 Q10 R11S3-Q7 PolarHBondContact O-N 3.33Å; G4-Q7 PolarHBondContact O-N 3.06Å; I5-Q7 PolarHBondContact O-N 3.3Å; Q7-Q10 PolarHBondContact O-N 3.24Å; Q7-R11 PolarHBondContact O-N 3.46Å
8V67.2Low72.4Confident95 Ų9590.3 Ų90.358%0.57648%0.476SS*.Hα-helixtrans-63.8-46176174.40000110.4G4 I5 Q10 R11G4-V8 WeakPolarHBondContact O-CG2 3.3Å; G4-V8 PolarHBondContact O-N 3.28Å; I5-V8 PolarHBondContact O-N 3.44Å; V8-Q10 VanDerWaalsContact C-N 3.27Å; V8-Q10 PolarHBondContact O-N 3.14Å; V8-R11 PolarHBondContact O-N 2.92Å
9F74.2Confident73.4Confident128 Ų12892.6 Ų92.656%0.56149%0.488SS*.Hα-helixtrans-65.4-27.7176.5-86.7-77.9000113.7I5I5-F9 HydrophobicContact CG2-CD2 3.63Å; I5-F9 HydrophobicContact CG2-CE2 3.66Å; I5-F9 VanDerWaalsContact O-CD2 3.29Å; I5-F9 WeakPolarHBondContact O-CD2 3.36Å; I5-F9 PolarHBondContact O-N 3.14Å; I5-F9 VanDerWaalsContact O-N 3.13Å
10Q77.6Confident74.4Confident81 Ų8193.3 Ų93.338%0.37949%0.492SS..Hα-helixtrans-67.3-43.6175.3-81174.2-1600112S6 Q7 V8 E12 L13 T14 Y21S6-Q10 VanDerWaalsContact O-CG 3.27Å; S6-Q10 WeakPolarHBondContact O-CG 3.5Å; S6-Q10 PolarHBondContact O-N 2.89Å; S6-Q10 VanDerWaalsContact O-N 3.13Å; Q7-Q10 PolarHBondContact O-N 3.24Å; V8-Q10 VanDerWaalsContact C-N 3.27Å; V8-Q10 PolarHBondContact O-N 3.14Å; Q10-E12 VanDerWaalsContact C-N 3.31Å; Q10-E12 PolarHBondContact O-N 3.32Å; Q10-L13 PolarHBondContact O-N 2.92Å; Q10-T14 WeakPolarHBondContact O-CG2 3.31Å; Q10-T14 PolarHBondContact O-N 3.21Å; Q10-Y21 HydrophobicContact CG-CE1 4.44Å
11R80.4Confident75.3Confident201 Ų20191 Ų9176%0.75848%0.477SS*.Hα-helixtrans-58.7-41.4179.2-80.8-178.5150.6-170.4-6.4112.7Q7 V8 L13 T14Q7-R11 PolarHBondContact O-N 3.46Å; V8-R11 PolarHBondContact O-N 2.92Å; R11-L13 PolarHBondContact O-N 3.46Å; R11-L13 VanDerWaalsContact O-N 3.16Å; R11-T14 WeakPolarHBondContact CA-OG1 3.38Å; R11-T14 PolarHBondContact O-N 3.2Å; R11-T14 PolarHBondContact O-OG1 3.42Å
12E87.5Confident78.1Confident137 Ų13779.8 Ų79.864%0.6442%0.421SS*.THydrogen-bonded Turntrans-64.3-17.8177.6-64-58.9140.500113.8Q10Q10-E12 VanDerWaalsContact C-N 3.31Å; Q10-E12 PolarHBondContact O-N 3.32Å
13L93.1Very high80.5Confident18 Ų1876.7 Ų76.79%0.09440%0.404CS..THydrogen-bonded Turntrans-107.11.5-179.1-62.3-178.2000113.4Q10 R11 Y21 F22 L70 M73 A77Q10-L13 PolarHBondContact O-N 2.92Å; R11-L13 PolarHBondContact O-N 3.46Å; R11-L13 VanDerWaalsContact O-N 3.16Å; L13-Y21 HydrophobicContact CB-CD1 3.92Å; L13-Y21 HydrophobicContact CB-CE1 4.24Å; L13-Y21 CarbonylContact O-C 3.59Å; L13-Y21 VanDerWaalsContact O-CA 3.27Å; L13-Y21 WeakPolarHBondContact O-CA 3.37Å; L13-F22 WeakPolarHBondContact O-CD2 3.44Å; L13-F22 PolarHBondContact O-N 2.99Å; L13-L70 HydrophobicContact CD2-CD1 3.59Å; L13-M73 HydrophobicContact CD1-CB 4.36Å; L13-M73 HydrophobicContact CD2-CB 3.63Å; L13-M73 HydrophobicContact CD2-CE 4.16Å; L13-A77 HydrophobicContact CD1-CB 3.79Å
14T93.9Very high82.3Confident41 Ų4172.6 Ų72.625%0.25238%0.375SS..BIsolated β-bridgetrans-101.7140.1179.850.20000111.8Q10 R11 N20 Y21 F22Q10-T14 WeakPolarHBondContact O-CG2 3.31Å; Q10-T14 PolarHBondContact O-N 3.21Å; R11-T14 WeakPolarHBondContact CA-OG1 3.38Å; R11-T14 PolarHBondContact O-N 3.2Å; R11-T14 PolarHBondContact O-OG1 3.42Å; T14-N20 CarbonylContact C-O 3.54Å; T14-N20 WeakPolarHBondContact CA-O 3.4Å; T14-Y21 HydrophobicContact CG2-CD1 4.22Å; T14-Y21 HydrophobicContact CG2-CE1 4.48Å; T14-F22 WeakPolarHBondContact O-CE2 3.14Å; T14-F22 VanDerWaalsContact O-CZ 3.23Å; T14-F22 WeakPolarHBondContact O-CZ 3.4Å
15C92.7Very high84.5Confident0 Ų070.8 Ų70.80%036%0.356CS..  trans-75.9132.2172.6177.80000110.3I17 L19 N20 F22 C35C15-I17 PolarHBondContact O-N 2.98Å; C15-L19 WeakPolarHBondContact O-CA 3.46Å; C15-L19 PolarHBondContact O-N 3.22Å; C15-N20 PolarHBondContact N-O 3.39Å; C15-F22 HydrophobicContact CB-CD1 3.69Å; C15-F22 HydrophobicContact CB-CE1 3.57Å; C15-F22 HydrophobicContact CB-CZ 4.37Å; C15-C35 HydrophobicContact CB-CB 4.38Å; C15-C35 WeakPolarHBondContact CB-SG 3.33Å; C15-C35 PolarHBondContact SG-N 2.82Å
16P90.4Very high86.3Confident49 Ų4966.4 Ų66.432%0.31833%0.333SS..THydrogen-bonded Turntrans-67.3-17.7-179.730.3-40.8000113.5L19 F34 E54P16-L19 WeakPolarHBondContact O-CD2 3.39Å; P16-F34 HydrophobicContact CG-CD1 3.63Å; P16-F34 HydrophobicContact CG-CE1 3.44Å; P16-F34 VanDerWaalsContact CG-CE1 3.44Å; P16-E54 HydrophobicContact CB-CG 4.17Å; P16-E54 HydrophobicContact CG-CG 4.02Å; P16-E54 WeakPolarHBondContact CG-OE1 3.21Å
17I89Confident87.5Confident49 Ų4965 Ų6525%0.25132%0.322SS..THydrogen-bonded Turntrans-85.8-56.3-178.7-62170.5000111C15 F34 C38 N42 F53C15-I17 PolarHBondContact O-N 2.98Å; I17-F34 HydrophobicContact CD1-CB 4.3Å; I17-F34 HydrophobicContact CD1-CD1 3.45Å; I17-F34 VanDerWaalsContact CD1-CD1 3.45Å; I17-F34 HydrophobicContact CD1-CE1 4.1Å; I17-F34 HydrophobicContact CD1-CG 4.11Å; I17-F34 HydrophobicContact CG1-CD1 3.82Å; I17-F34 HydrophobicContact CG1-CE1 4.24Å; I17-C38 HydrophobicContact CB-CB 3.9Å; I17-C38 HydrophobicContact CD1-CB 3.83Å; I17-C38 HydrophobicContact CG1-CB 4.46Å; I17-C38 HydrophobicContact CG2-CB 3.82Å; I17-N42 WeakPolarHBondContact CG2-ND2 3.28Å; I17-F53 HydrophobicContact CD1-CD2 3.79Å; I17-F53 HydrophobicContact CD1-CE2 4.08Å; I17-F53 HydrophobicContact CD1-CG 4.48Å; I17-F53 HydrophobicContact CG1-CD2 4.37Å
18C91.6Very high88.6Confident43 Ų4359.1 Ų59.129%0.29130%0.295SS..THydrogen-bonded Turntrans-92.9-3.8-17864.70000114N20 C38C18-N20 PolarHBondContact O-N 3.14Å; C18-N20 PolarHBondContact O-ND2 2.97Å; C18-C38 VanDerWaalsContact CB-SG 3.51Å
19L91.6Very high89.5Confident134 Ų13459.8 Ų59.870%0.70230%0.295SS*.  trans55.523.6-179.1-52.2179.1000114.1C15 P16C15-L19 WeakPolarHBondContact O-CA 3.46Å; C15-L19 PolarHBondContact O-N 3.22Å; P16-L19 WeakPolarHBondContact O-CD2 3.39Å
20N92.4Very high90.1Very high105 Ų10555.3 Ų55.356%0.56128%0.279SS*.SBendtrans-118.6162179.5-78.5-74.1000110.8T14 C15 C18 F22T14-N20 CarbonylContact C-O 3.54Å; T14-N20 WeakPolarHBondContact CA-O 3.4Å; C15-N20 PolarHBondContact N-O 3.39Å; C18-N20 PolarHBondContact O-N 3.14Å; C18-N20 PolarHBondContact O-ND2 2.97Å; N20-F22 PolarHBondContact O-N 3.12Å
21Y94.3Very high90.6Very high45 Ų4554 Ų5418%0.17629%0.287CS..BIsolated β-bridgetrans-54.3136.4175.2-68.1-60.1000112.2Q10 L13 T14 I23 A77 R78Q10-Y21 HydrophobicContact CG-CE1 4.44Å; L13-Y21 HydrophobicContact CB-CD1 3.92Å; L13-Y21 HydrophobicContact CB-CE1 4.24Å; L13-Y21 CarbonylContact O-C 3.59Å; L13-Y21 VanDerWaalsContact O-CA 3.27Å; L13-Y21 WeakPolarHBondContact O-CA 3.37Å; T14-Y21 HydrophobicContact CG2-CD1 4.22Å; T14-Y21 HydrophobicContact CG2-CE1 4.48Å; Y21-I23 PolarHBondContact O-N 2.99Å; Y21-A77 HydrophobicContact CD1-CB 3.86Å; Y21-A77 HydrophobicContact CE1-CB 3.64Å; Y21-A77 HydrophobicContact CE2-CB 4.4Å; Y21-A77 HydrophobicContact CG-CB 4.33Å; Y21-R78 HydrophobicContact CD2-CG 3.81Å; Y21-R78 HydrophobicContact CG-CG 4.02Å
22F95.2Very high91Very high10 Ų1047 Ų474%0.04426%0.263CS..  trans-52.2121.9-172.5-78.5-67000114.9L13 T14 C15 N20 P25 S33 L70 A74 R78L13-F22 WeakPolarHBondContact O-CD2 3.44Å; L13-F22 PolarHBondContact O-N 2.99Å; T14-F22 WeakPolarHBondContact O-CE2 3.14Å; T14-F22 VanDerWaalsContact O-CZ 3.23Å; T14-F22 WeakPolarHBondContact O-CZ 3.4Å; C15-F22 HydrophobicContact CB-CD1 3.69Å; C15-F22 HydrophobicContact CB-CE1 3.57Å; C15-F22 HydrophobicContact CB-CZ 4.37Å; N20-F22 PolarHBondContact O-N 3.12Å; F22-P25 HydrophobicContact CB-CB 3.83Å; F22-P25 HydrophobicContact CB-CG 3.95Å; F22-P25 HydrophobicContact CD1-CB 3.85Å; F22-P25 HydrophobicContact CG-CB 3.85Å; F22-P25 HydrophobicContact CG-CG 4.42Å; F22-S33 WeakPolarHBondContact CE1-O 3.49Å; F22-S33 WeakPolarHBondContact CZ-O 3.38Å; F22-L70 HydrophobicContact CD2-CD1 3.9Å; F22-L70 HydrophobicContact CD2-CD2 3.77Å; F22-L70 HydrophobicContact CD2-CG 3.81Å; F22-L70 HydrophobicContact CE2-CD1 4.18Å; F22-L70 HydrophobicContact CE2-CD2 3.76Å; F22-L70 HydrophobicContact CE2-CG 4.24Å; F22-L70 HydrophobicContact CG-CD2 4.31Å; F22-L70 HydrophobicContact CG-CG 4.39Å; F22-L70 HydrophobicContact CZ-CD2 4.28Å; F22-A74 HydrophobicContact CB-CB 3.81Å; F22-A74 WeakPolarHBondContact O-CB 3.48Å; F22-R78 PolarHBondContact O-NH1 2.97Å
23I93.6Very high91.2Very high47 Ų4741.2 Ų41.224%0.24124%0.238CC..SBendtrans-100.3111.7170.1-55.4178.4000108.2Y21 C35 R36 P37 L141Y21-I23 PolarHBondContact O-N 2.99Å; I23-C35 PolarHBondContact N-SG 3.25Å; I23-C35 VanDerWaalsContact O-CA 3.32Å; I23-C35 WeakPolarHBondContact O-CA 3.17Å; I23-C35 WeakPolarHBondContact O-CB 3.47Å; I23-R36 PolarHBondContact O-N 2.98Å; I23-P37 HydrophobicContact CG2-CG 4.21Å; I23-L141 HydrophobicContact CG2-CD1 3.77Å; I23-L141 HydrophobicContact CG2-CD2 3.82Å; I23-L141 HydrophobicContact CG2-CG 4.03Å
24D93.6Very high91.1Very high15 Ų1540.5 Ų40.58%0.0823%0.234CC..SBendtrans45.865.4-175.8-16059.8000112.5V26 R36 T66 K71 L141D24-V26 PolarHBondContact O-N 3.38Å; D24-R36 HydrophobicContact CB-CB 4.17Å; D24-R36 VanDerWaalsContact O-CB 3.26Å; D24-R36 WeakPolarHBondContact O-CB 3.38Å; D24-R36 PolarHBondContact O-N 2.88Å; D24-R36 VanDerWaalsContact O-N 3.1Å; D24-R36 VanDerWaalsContact OD2-CD 3.22Å; D24-R36 WeakPolarHBondContact OD2-CD 3.43Å; D24-R36 IonicContact OD2-CZ 3.61Å; D24-R36 IonicContact OD2-NE 3.63Å; D24-R36 PolarHBondContact OD2-NE 3.42Å; D24-R36 IonicContact OD2-NH2 2.76Å; D24-T66 WeakPolarHBondContact OD1-CG2 3.27Å; D24-T66 PolarHBondContact OD1-OG1 3.49Å; D24-T66 PolarHBondContact OD2-OG1 3.08Å; D24-K71 WeakPolarHBondContact OD1-CD 3.43Å; D24-K71 WeakPolarHBondContact OD1-CE 3.35Å; D24-K71 IonicContact OD1-NZ 3.44Å; D24-K71 PolarHBondContact OD1-NZ 3.27Å; D24-L141 HydrophobicContact CB-CD1 3.9Å; D24-L141 HydrophobicContact CB-CD2 4.22Å
25P95Very high91.1Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-61132.9-173.721.5-30.6000111.6F22 F34 T66 N67 L70 K71F22-P25 HydrophobicContact CB-CB 3.83Å; F22-P25 HydrophobicContact CB-CG 3.95Å; F22-P25 HydrophobicContact CD1-CB 3.85Å; F22-P25 HydrophobicContact CG-CB 3.85Å; F22-P25 HydrophobicContact CG-CG 4.42Å; P25-F34 CarbonylContact C-O 3.55Å; P25-F34 VanDerWaalsContact CA-O 3.28Å; P25-F34 WeakPolarHBondContact CA-O 3.49Å; P25-T66 CarbonylContact O-C 3.28Å; P25-T66 VanDerWaalsContact O-CA 3.31Å; P25-T66 WeakPolarHBondContact O-CA 3.11Å; P25-N67 HydrophobicContact CG-CB 4.49Å; P25-N67 PolarHBondContact O-N 2.69Å; P25-L70 HydrophobicContact CB-CB 4.34Å; P25-L70 HydrophobicContact CB-CD2 3.73Å; P25-L70 HydrophobicContact CB-CG 3.98Å; P25-L70 HydrophobicContact CG-CB 3.86Å; P25-L70 HydrophobicContact CG-CD2 4.14Å; P25-L70 HydrophobicContact CG-CG 3.83Å; P25-K71 HydrophobicContact CG-CB 3.97Å
26V91.1Very high90.9Very high0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-112.8131.5171.5-70.40000108.8D24 S33 F34 R36 F39 L64D24-V26 PolarHBondContact O-N 3.38Å; V26-S33 CarbonylContact O-C 3.57Å; V26-S33 VanDerWaalsContact O-CA 3.26Å; V26-S33 WeakPolarHBondContact O-CA 3.36Å; V26-F34 WeakPolarHBondContact CG2-O 3.42Å; V26-F34 PolarHBondContact N-O 2.81Å; V26-F34 PolarHBondContact O-N 3.11Å; V26-R36 HydrophobicContact CG1-CB 4.11Å; V26-R36 HydrophobicContact CG1-CG 4.49Å; V26-F39 HydrophobicContact CG2-CB 4.45Å; V26-L64 HydrophobicContact CB-CB 4.07Å; V26-L64 HydrophobicContact CB-CD1 4.31Å; V26-L64 HydrophobicContact CG1-CB 3.92Å; V26-L64 HydrophobicContact CG2-CD1 4.03Å
27T90Very high90.9Very high38 Ų3838.8 Ų38.823%0.23322%0.219CC..EExtended strand (participates in β ladder)trans-102.3126.2177.3-53.60000108.5G31 H32 S33 N67T27-G31 WeakPolarHBondContact CG2-O 3.5Å; T27-H32 WeakPolarHBondContact CA-O 3.24Å; T27-S33 PolarHBondContact OG1-OG 2.78Å; T27-N67 PolarHBondContact OG1-ND2 3.33Å; T27-N67 VanDerWaalsContact OG1-ND2 3.12Å
28I86.3Confident90.8Very high6 Ų637 Ų373%0.03121%0.211CC..  trans-92169178.359.6166.9000111.4C30 G31 H32 F34 C52 T59 Q61 L64I28-C30 WeakPolarHBondContact CD1-SG 3.29Å; I28-C30 VanDerWaalsContact CG1-SG 3.56Å; I28-C30 PolarHBondContact O-N 3.47Å; I28-G31 PolarHBondContact O-N 3.02Å; I28-H32 WeakPolarHBondContact CG1-O 3.38Å; I28-H32 PolarHBondContact N-O 3.07Å; I28-F34 HydrophobicContact CD1-CE2 3.73Å; I28-F34 HydrophobicContact CG1-CE2 4.02Å; I28-C52 HydrophobicContact CD1-CB 3.7Å; I28-T59 HydrophobicContact CB-CG2 4.43Å; I28-T59 HydrophobicContact CD1-CG2 4.07Å; I28-Q61 VanDerWaalsContact CA-OE1 3.27Å; I28-L64 HydrophobicContact CG2-CD2 3.85Å
29D85.5Confident90.3Very high108 Ų10836 Ų3658%0.57820%0.202SC*.THydrogen-bonded Turntrans-51.6-30.2-174.6-59.3-39.6000114.8G31 T59 Q61D29-G31 PolarHBondContact O-N 2.92Å; D29-T59 PolarHBondContact OD2-OG1 2.84Å; D29-Q61 VanDerWaalsContact N-OE1 3.11Å; D29-Q61 PolarHBondContact OD1-OE1 2.78Å; D29-Q61 VanDerWaalsContact OD1-OE1 3.14Å
30C86.9Confident89.8Confident34 Ų3430.5 Ų30.523%0.2317%0.171CC..THydrogen-bonded Turntrans-80.61.1178.871.20000114.3I28 H32 C52 C55 K57I28-C30 WeakPolarHBondContact CD1-SG 3.29Å; I28-C30 VanDerWaalsContact CG1-SG 3.56Å; I28-C30 PolarHBondContact O-N 3.47Å; C30-H32 PolarHBondContact SG-ND1 3.39Å; C30-C52 VanDerWaalsContact SG-CB 3.56Å; C30-C52 PolarHBondContact SG-SG 2.92Å; C30-C55 VanDerWaalsContact SG-SG 3.62Å; C30-K57 HydrophobicContact CB-CB 4.12Å; C30-K57 HydrophobicContact CB-CD 4.06Å
31G88.1Confident89.2Confident53 Ų5330.6 Ų30.655%0.54617%0.172SC..SBendtrans90.5-12.7177.600000115.4T27 I28 D29T27-G31 WeakPolarHBondContact CG2-O 3.5Å; I28-G31 PolarHBondContact O-N 3.02Å; D29-G31 PolarHBondContact O-N 2.92Å
32H89.9Confident88.2Confident54 Ų5432.5 Ų32.525%0.2519%0.185CC..  trans-75148.7177.8-63.196.4000111.6T27 I28 C30 F34 C52 E54 C55T27-H32 WeakPolarHBondContact CA-O 3.24Å; I28-H32 WeakPolarHBondContact CG1-O 3.38Å; I28-H32 PolarHBondContact N-O 3.07Å; C30-H32 PolarHBondContact SG-ND1 3.39Å; H32-F34 HydrophobicContact CB-CE2 3.91Å; H32-F34 HydrophobicContact CB-CZ 3.96Å; H32-C52 PolarHBondContact ND1-SG 2.75Å; H32-E54 IonicContact CD2-OE1 3.3Å; H32-E54 PolarHBondContact CD2-OE1 2.87Å; H32-E54 VanDerWaalsContact CD2-OE1 3.3Å; H32-E54 IonicContact CD2-OE2 3.44Å; H32-E54 PolarHBondContact CD2-OE2 2.87Å; H32-E54 IonicContact CG-OE1 3.7Å; H32-E54 IonicContact NE2-OE2 3.99Å; H32-C55 VanDerWaalsContact CE1-SG 3.55Å
33S91.5Very high87Confident17 Ų1733.3 Ų33.312%0.11919%0.187CC..EExtended strand (participates in β ladder)trans-120139.4-175.5-61.80000111.7F22 V26 T27F22-S33 WeakPolarHBondContact CE1-O 3.49Å; F22-S33 WeakPolarHBondContact CZ-O 3.38Å; V26-S33 CarbonylContact O-C 3.57Å; V26-S33 VanDerWaalsContact O-CA 3.26Å; V26-S33 WeakPolarHBondContact O-CA 3.36Å; T27-S33 PolarHBondContact OG1-OG 2.78Å
34F91.4Very high85Confident2 Ų236.9 Ų36.91%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-132.9155.1-179-55.2-81.3000110.3P16 I17 P25 V26 I28 H32 R36 F53 E54P16-F34 HydrophobicContact CG-CD1 3.63Å; P16-F34 HydrophobicContact CG-CE1 3.44Å; P16-F34 VanDerWaalsContact CG-CE1 3.44Å; I17-F34 HydrophobicContact CD1-CB 4.3Å; I17-F34 HydrophobicContact CD1-CD1 3.45Å; I17-F34 VanDerWaalsContact CD1-CD1 3.45Å; I17-F34 HydrophobicContact CD1-CE1 4.1Å; I17-F34 HydrophobicContact CD1-CG 4.11Å; I17-F34 HydrophobicContact CG1-CD1 3.82Å; I17-F34 HydrophobicContact CG1-CE1 4.24Å; P25-F34 CarbonylContact C-O 3.55Å; P25-F34 VanDerWaalsContact CA-O 3.28Å; P25-F34 WeakPolarHBondContact CA-O 3.49Å; V26-F34 WeakPolarHBondContact CG2-O 3.42Å; V26-F34 PolarHBondContact N-O 2.81Å; V26-F34 PolarHBondContact O-N 3.11Å; I28-F34 HydrophobicContact CD1-CE2 3.73Å; I28-F34 HydrophobicContact CG1-CE2 4.02Å; H32-F34 HydrophobicContact CB-CE2 3.91Å; H32-F34 HydrophobicContact CB-CZ 3.96Å; F34-R36 PolarHBondContact O-N 3.06Å; F34-F53 HydrophobicContact CE1-CB 4.13Å; F34-F53 HydrophobicContact CE1-CD2 4.47Å; F34-F53 HydrophobicContact CZ-CB 4.41Å; F34-E54 HydrophobicContact CE1-CG 4.24Å; F34-E54 HydrophobicContact CZ-CG 4.24Å
35C92.1Very high83.1Confident1 Ų141.5 Ų41.51%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-62.2134.4166.7-67.70000109.5C15 I23 P37 C38 F39C15-C35 HydrophobicContact CB-CB 4.38Å; C15-C35 WeakPolarHBondContact CB-SG 3.33Å; C15-C35 PolarHBondContact SG-N 2.82Å; I23-C35 PolarHBondContact N-SG 3.25Å; I23-C35 VanDerWaalsContact O-CA 3.32Å; I23-C35 WeakPolarHBondContact O-CA 3.17Å; I23-C35 WeakPolarHBondContact O-CB 3.47Å; C35-P37 VanDerWaalsContact C-N 3.29Å; C35-C38 HydrophobicContact CB-CB 3.94Å; C35-C38 WeakPolarHBondContact O-CB 3.25Å; C35-C38 PolarHBondContact O-N 2.8Å; C35-F39 PolarHBondContact O-N 2.7Å
36R90Very high81Confident37 Ų3745.9 Ų45.914%0.1425%0.25CS..Hα-helixtrans-54.3-39.8172.4-177.8-178.9-68.5-94.8-0.8112.9I23 D24 V26 F34 C38 F39 Y40 L64 T66I23-R36 PolarHBondContact O-N 2.98Å; D24-R36 HydrophobicContact CB-CB 4.17Å; D24-R36 VanDerWaalsContact O-CB 3.26Å; D24-R36 WeakPolarHBondContact O-CB 3.38Å; D24-R36 PolarHBondContact O-N 2.88Å; D24-R36 VanDerWaalsContact O-N 3.1Å; D24-R36 VanDerWaalsContact OD2-CD 3.22Å; D24-R36 WeakPolarHBondContact OD2-CD 3.43Å; D24-R36 IonicContact OD2-CZ 3.61Å; D24-R36 IonicContact OD2-NE 3.63Å; D24-R36 PolarHBondContact OD2-NE 3.42Å; D24-R36 IonicContact OD2-NH2 2.76Å; V26-R36 HydrophobicContact CG1-CB 4.11Å; V26-R36 HydrophobicContact CG1-CG 4.49Å; F34-R36 PolarHBondContact O-N 3.06Å; R36-C38 PolarHBondContact O-N 2.82Å; R36-F39 WeakPolarHBondContact O-CB 3.49Å; R36-F39 PolarHBondContact O-N 2.87Å; R36-Y40 WeakPolarHBondContact CD-OH 3.3Å; R36-Y40 HydrophobicContact CG-CD2 4.29Å; R36-Y40 HydrophobicContact CG-CE1 3.97Å; R36-Y40 HydrophobicContact CG-CE2 3.62Å; R36-Y40 VanDerWaalsContact CG-CZ 3.45Å; R36-Y40 PolarHBondContact O-N 3.15Å; R36-L64 PolarHBondContact NH2-O 3.03Å; R36-T66 PolarHBondContact NH2-OG1 3.25Å; R36-T66 VanDerWaalsContact NH2-OG1 3.13Å
37P89.3Confident79Confident17 Ų1751 Ų5111%0.1128%0.283CS..Hα-helixtrans-57.5-43.9169.3-31.737.9000115.2I23 C35 F39 Y40 L41 L141 M144I23-P37 HydrophobicContact CG2-CG 4.21Å; C35-P37 VanDerWaalsContact C-N 3.29Å; P37-F39 VanDerWaalsContact C-N 3.25Å; P37-F39 PolarHBondContact O-N 3.44Å; P37-Y40 PolarHBondContact O-N 2.89Å; P37-L41 WeakPolarHBondContact O-CG 3.12Å; P37-L41 PolarHBondContact O-N 2.82Å; P37-L141 HydrophobicContact CG-CD2 3.43Å; P37-L141 VanDerWaalsContact CG-CD2 3.43Å; P37-M144 HydrophobicContact CB-CE 3.71Å; P37-M144 HydrophobicContact CB-SD 4.13Å; P37-M144 HydrophobicContact CG-CE 4.35Å; P37-M144 HydrophobicContact CG-SD 4.21Å
38C88.1Confident76.9Confident12 Ų1255.6 Ų55.68%0.08131%0.305CS..Hα-helixtrans-65.5-35.4178.4-67.40000111.1I17 C18 C35 R36 N42I17-C38 HydrophobicContact CB-CB 3.9Å; I17-C38 HydrophobicContact CD1-CB 3.83Å; I17-C38 HydrophobicContact CG1-CB 4.46Å; I17-C38 HydrophobicContact CG2-CB 3.82Å; C18-C38 VanDerWaalsContact CB-SG 3.51Å; C35-C38 HydrophobicContact CB-CB 3.94Å; C35-C38 WeakPolarHBondContact O-CB 3.25Å; C35-C38 PolarHBondContact O-N 2.8Å; R36-C38 PolarHBondContact O-N 2.82Å; C38-N42 WeakPolarHBondContact O-CB 3.26Å; C38-N42 PolarHBondContact O-N 2.92Å; C38-N42 VanDerWaalsContact O-N 3.13Å; C38-N42 PolarHBondContact O-ND2 2.89Å
39F81.4Confident75.2Confident22 Ų2259.9 Ų59.910%0.09633%0.328CS..Hα-helixtrans-61.3-51170.2-175.7-93.1000110.9V26 C35 R36 P37 L41 W43 L64V26-F39 HydrophobicContact CG2-CB 4.45Å; C35-F39 PolarHBondContact O-N 2.7Å; R36-F39 WeakPolarHBondContact O-CB 3.49Å; R36-F39 PolarHBondContact O-N 2.87Å; P37-F39 VanDerWaalsContact C-N 3.25Å; P37-F39 PolarHBondContact O-N 3.44Å; F39-L41 VanDerWaalsContact C-N 3.33Å; F39-L41 PolarHBondContact O-N 3.11Å; F39-W43 HydrophobicContact CD2-CB 4.47Å; F39-W43 AromaticContact CD2-CD2 3.96Å; F39-W43 HydrophobicContact CD2-CD2 3.96Å; F39-W43 AromaticContact CD2-CE3 3.82Å; F39-W43 HydrophobicContact CD2-CE3 3.82Å; F39-W43 HydrophobicContact CD2-CG 4.29Å; F39-W43 HydrophobicContact CD2-CZ3 4.35Å; F39-W43 HydrophobicContact CE1-CG 4.43Å; F39-W43 HydrophobicContact CE2-CB 4.31Å; F39-W43 AromaticContact CE2-CD2 3.38Å; F39-W43 HydrophobicContact CE2-CD2 3.38Å; F39-W43 AromaticContact CE2-CE2 3.63Å; F39-W43 AromaticContact CE2-CE3 3.64Å; F39-W43 HydrophobicContact CE2-CE3 3.64Å; F39-W43 AromaticContact CE2-CG 3.73Å; F39-W43 HydrophobicContact CE2-CG 3.73Å; F39-W43 HydrophobicContact CE2-CH2 4.31Å; F39-W43 HydrophobicContact CE2-CZ2 4.07Å; F39-W43 HydrophobicContact CE2-CZ3 4.12Å; F39-W43 HydrophobicContact CZ-CB 4.33Å; F39-W43 AromaticContact CZ-CD1 3.91Å; F39-W43 AromaticContact CZ-CD2 3.92Å; F39-W43 HydrophobicContact CZ-CD2 3.92Å; F39-W43 AromaticContact CZ-CG 3.8Å; F39-W43 HydrophobicContact CZ-CG 3.8Å; F39-W43 WeakPolarHBondContact O-CB 3.39Å; F39-W43 PolarHBondContact O-N 3.01Å; F39-L64 HydrophobicContact CD1-CD1 3.59Å; F39-L64 HydrophobicContact CD2-CD1 3.67Å; F39-L64 HydrophobicContact CE1-CD1 3.45Å; F39-L64 VanDerWaalsContact CE1-CD1 3.45Å; F39-L64 HydrophobicContact CE2-CD1 3.54Å; F39-L64 HydrophobicContact CG-CD1 3.7Å; F39-L64 HydrophobicContact CZ-CD1 3.43Å; F39-L64 VanDerWaalsContact CZ-CD1 3.43Å; F39-L64 HydrophobicContact CZ-CG 4.47Å
40Y81Confident74Confident17 Ų1756.6 Ų56.67%0.06731%0.312CS..Hα-helixtrans-59.8-38179.3-62.5-27.3000114.4R36 P37 M144 Q145 W148R36-Y40 WeakPolarHBondContact CD-OH 3.3Å; R36-Y40 HydrophobicContact CG-CD2 4.29Å; R36-Y40 HydrophobicContact CG-CE1 3.97Å; R36-Y40 HydrophobicContact CG-CE2 3.62Å; R36-Y40 VanDerWaalsContact CG-CZ 3.45Å; R36-Y40 PolarHBondContact O-N 3.15Å; P37-Y40 PolarHBondContact O-N 2.89Å; Y40-M144 HydrophobicContact CD2-CB 4.35Å; Y40-Q145 HydrophobicContact CE2-CB 4.29Å; Y40-W148 HydrophobicContact CD1-CB 3.99Å; Y40-W148 AromaticContact CD1-CD1 3.47Å; Y40-W148 VanDerWaalsContact CD1-CD1 3.47Å; Y40-W148 AromaticContact CD1-CD2 3.55Å; Y40-W148 HydrophobicContact CD1-CD2 3.55Å; Y40-W148 AromaticContact CD1-CE2 3.72Å; Y40-W148 HydrophobicContact CD1-CE3 4.3Å; Y40-W148 AromaticContact CD1-CG 3.36Å; Y40-W148 HydrophobicContact CD1-CG 3.36Å; Y40-W148 AromaticContact CD1-NE1 3.64Å; Y40-W148 HydrophobicContact CD2-CB 4.19Å; Y40-W148 HydrophobicContact CD2-CG 4.43Å; Y40-W148 HydrophobicContact CE1-CB 4.12Å; Y40-W148 AromaticContact CE1-CD1 3.28Å; Y40-W148 HydrophobicContact CE1-CD2 4.2Å; Y40-W148 AromaticContact CE1-CG 3.58Å; Y40-W148 HydrophobicContact CE1-CG 3.58Å; Y40-W148 AromaticContact CE1-NE1 3.68Å; Y40-W148 HydrophobicContact CE2-CB 4.32Å; Y40-W148 HydrophobicContact CG-CB 4.01Å; Y40-W148 AromaticContact CG-CD2 4Å; Y40-W148 HydrophobicContact CG-CD2 4Å; Y40-W148 HydrophobicContact CG-CE3 4.39Å; Y40-W148 AromaticContact CG-CG 3.82Å; Y40-W148 HydrophobicContact CG-CG 3.82Å; Y40-W148 WeakPolarHBondContact O-CZ3 3.24Å
41L79.4Confident73.4Confident108 Ų10859.3 Ų59.357%0.56532%0.321SS*.Hα-helixtrans-81.6-37-174.9-67.7172.3000113.6P37 F39 M144P37-L41 WeakPolarHBondContact O-CG 3.12Å; P37-L41 PolarHBondContact O-N 2.82Å; F39-L41 VanDerWaalsContact C-N 3.33Å; F39-L41 PolarHBondContact O-N 3.11Å; L41-M144 HydrophobicContact CD1-CE 4.49Å; L41-M144 HydrophobicContact CG-CE 4.48Å
42N73.5Confident73.1Confident85 Ų8556.8 Ų56.846%0.45530%0.295SS..Hα-helixtrans-97.5-3.2-173.1-60.5-78.6000113.5I17 C38 F53I17-N42 WeakPolarHBondContact CG2-ND2 3.28Å; C38-N42 WeakPolarHBondContact O-CB 3.26Å; C38-N42 PolarHBondContact O-N 2.92Å; C38-N42 VanDerWaalsContact O-N 3.13Å; C38-N42 PolarHBondContact O-ND2 2.89Å; N42-F53 HydrophobicContact CB-CE2 4.36Å; N42-F53 HydrophobicContact CB-CZ 4.01Å
43W68.6Low72.6Confident26 Ų2659.3 Ų59.310%0.09831%0.305CS..  trans-107.130.8-176.8-145.4-81.1000112.1F39 D45 L49 Q51 F53 T59F39-W43 HydrophobicContact CD2-CB 4.47Å; F39-W43 AromaticContact CD2-CD2 3.96Å; F39-W43 HydrophobicContact CD2-CD2 3.96Å; F39-W43 AromaticContact CD2-CE3 3.82Å; F39-W43 HydrophobicContact CD2-CE3 3.82Å; F39-W43 HydrophobicContact CD2-CG 4.29Å; F39-W43 HydrophobicContact CD2-CZ3 4.35Å; F39-W43 HydrophobicContact CE1-CG 4.43Å; F39-W43 HydrophobicContact CE2-CB 4.31Å; F39-W43 AromaticContact CE2-CD2 3.38Å; F39-W43 HydrophobicContact CE2-CD2 3.38Å; F39-W43 AromaticContact CE2-CE2 3.63Å; F39-W43 AromaticContact CE2-CE3 3.64Å; F39-W43 HydrophobicContact CE2-CE3 3.64Å; F39-W43 AromaticContact CE2-CG 3.73Å; F39-W43 HydrophobicContact CE2-CG 3.73Å; F39-W43 HydrophobicContact CE2-CH2 4.31Å; F39-W43 HydrophobicContact CE2-CZ2 4.07Å; F39-W43 HydrophobicContact CE2-CZ3 4.12Å; F39-W43 HydrophobicContact CZ-CB 4.33Å; F39-W43 AromaticContact CZ-CD1 3.91Å; F39-W43 AromaticContact CZ-CD2 3.92Å; F39-W43 HydrophobicContact CZ-CD2 3.92Å; F39-W43 AromaticContact CZ-CG 3.8Å; F39-W43 HydrophobicContact CZ-CG 3.8Å; F39-W43 WeakPolarHBondContact O-CB 3.39Å; F39-W43 PolarHBondContact O-N 3.01Å; W43-D45 PolarHBondContact O-N 2.76Å; W43-L49 WeakPolarHBondContact CZ2-O 3.4Å; W43-L49 PolarHBondContact NE1-O 2.93Å; W43-Q51 VanDerWaalsContact CH2-O 3.22Å; W43-Q51 WeakPolarHBondContact CH2-O 3.43Å; W43-Q51 WeakPolarHBondContact CZ3-O 3.34Å; W43-F53 AromaticContact CE3-CE2 3.73Å; W43-F53 HydrophobicContact CE3-CE2 3.73Å; W43-F53 HydrophobicContact CE3-CZ 4.44Å; W43-F53 HydrophobicContact CZ3-CD2 4.11Å; W43-F53 AromaticContact CZ3-CE2 3.65Å; W43-F53 HydrophobicContact CZ3-CE2 3.65Å; W43-T59 HydrophobicContact CH2-CG2 4.35Å; W43-T59 HydrophobicContact CZ2-CG2 4.35Å
44Q52.2Low72.2Confident123 Ų12363.3 Ų63.358%0.57532%0.322SS*.  trans-74.192.5172.1-71-175.8-3.200108.8W148Q44-W148 HydrophobicContact CG-CZ3 4.39Å
45D52.9Low72Confident112 Ų11265.4 Ų65.460%0.59934%0.336SS*.SBendtrans161.378.8150.1-80.4-26000109.5W43 I48W43-D45 PolarHBondContact O-N 2.76Å; D45-I48 PolarHBondContact O-N 3.5Å
46I52.6Low71.5Confident92 Ų9271 Ų7147%0.47237%0.365SS..THydrogen-bonded Turntrans-80.6104.2173.3-57.7174.1000106.3W148I46-W148 HydrophobicContact CD1-CZ2 4.14Å
47P47.3Very low71.1Confident106 Ų10675.5 Ų75.569%0.68839%0.386SS*.THydrogen-bonded Turn-141.82962.234.4-13.6000116.3
48I46.2Very low70.4Confident136 Ų13679.1 Ų79.170%0.69741%0.408SS*.THydrogen-bonded Turntrans-127.2-22.2-171.9-64.4175.9000116D45 T50D45-I48 PolarHBondContact O-N 3.5Å; I48-T50 VanDerWaalsContact C-N 3.32Å; I48-T50 PolarHBondContact O-N 3.48Å; I48-T50 PolarHBondContact O-OG1 3.4Å
49L51.3Low69.5Low96 Ų9679 Ų7950%0.50341%0.407SS..  trans-90.579.1176.1-78.7165.5000111.2W43 Q51W43-L49 WeakPolarHBondContact CZ2-O 3.4Å; W43-L49 PolarHBondContact NE1-O 2.93Å; L49-Q51 VanDerWaalsContact C-N 3.34Å
50T61.3Low68.8Low39 Ų3985.9 Ų85.924%0.23944%0.439CS..  trans-92.124174.935.30000111.5I48 T58 T59I48-T50 VanDerWaalsContact C-N 3.32Å; I48-T50 PolarHBondContact O-N 3.48Å; I48-T50 PolarHBondContact O-OG1 3.4Å; T50-T58 CarbonylContact O-C 3.58Å; T50-T58 VanDerWaalsContact O-C 3.26Å; T50-T58 WeakPolarHBondContact O-CA 3.49Å; T50-T58 WeakPolarHBondContact OG1-CG2 3.34Å; T50-T59 WeakPolarHBondContact CB-O 3.4Å; T50-T59 WeakPolarHBondContact CG2-O 3.39Å; T50-T59 WeakPolarHBondContact O-CG2 3.47Å; T50-T59 PolarHBondContact O-N 2.8Å
51Q74.2Confident68.2Low90 Ų9087.8 Ų87.842%0.42145%0.449SS..BIsolated β-bridgetrans-105.1134.6-171.2-69.7-177.3-8.800113.6W43 L49 F53 L56 K57W43-Q51 VanDerWaalsContact CH2-O 3.22Å; W43-Q51 WeakPolarHBondContact CH2-O 3.43Å; W43-Q51 WeakPolarHBondContact CZ3-O 3.34Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-F53 PolarHBondContact O-N 2.85Å; Q51-L56 WeakPolarHBondContact CG-O 3.41Å; Q51-K57 WeakPolarHBondContact CA-O 3.3Å
52C81.5Confident67.3Low0 Ų093.8 Ų93.80%046%0.464CS..  trans-62.5127.9170.11790000111I28 C30 H32 E54 C55 L56 K57I28-C52 HydrophobicContact CD1-CB 3.7Å; C30-C52 VanDerWaalsContact SG-CB 3.56Å; C30-C52 PolarHBondContact SG-SG 2.92Å; H32-C52 PolarHBondContact ND1-SG 2.75Å; C52-E54 PolarHBondContact O-N 2.99Å; C52-E54 VanDerWaalsContact O-N 3.16Å; C52-E54 PolarHBondContact SG-N 3.28Å; C52-E54 VanDerWaalsContact SG-N 3.39Å; C52-C55 VanDerWaalsContact CB-SG 3.53Å; C52-L56 WeakPolarHBondContact O-CA 3.38Å; C52-L56 PolarHBondContact O-N 2.94Å; C52-K57 PolarHBondContact N-O 2.83Å
53F78.4Confident67Low108 Ų10896.1 Ų96.147%0.47448%0.477SS..THydrogen-bonded Turntrans-63.8-19.4177.3-71.6-79.1000114.4I17 F34 N42 W43 Q51I17-F53 HydrophobicContact CD1-CD2 3.79Å; I17-F53 HydrophobicContact CD1-CE2 4.08Å; I17-F53 HydrophobicContact CD1-CG 4.48Å; I17-F53 HydrophobicContact CG1-CD2 4.37Å; F34-F53 HydrophobicContact CE1-CB 4.13Å; F34-F53 HydrophobicContact CE1-CD2 4.47Å; F34-F53 HydrophobicContact CZ-CB 4.41Å; N42-F53 HydrophobicContact CB-CE2 4.36Å; N42-F53 HydrophobicContact CB-CZ 4.01Å; W43-F53 AromaticContact CE3-CE2 3.73Å; W43-F53 HydrophobicContact CE3-CE2 3.73Å; W43-F53 HydrophobicContact CE3-CZ 4.44Å; W43-F53 HydrophobicContact CZ3-CD2 4.11Å; W43-F53 AromaticContact CZ3-CE2 3.65Å; W43-F53 HydrophobicContact CZ3-CE2 3.65Å; Q51-F53 PolarHBondContact O-N 2.85Å
54E84.1Confident67.4Low101 Ų10196 Ų9647%0.47248%0.477SS..THydrogen-bonded Turntrans-93.2-41.3-179.7-64.8-167.4-116.100112.9P16 H32 F34 C52P16-E54 HydrophobicContact CB-CG 4.17Å; P16-E54 HydrophobicContact CG-CG 4.02Å; P16-E54 WeakPolarHBondContact CG-OE1 3.21Å; H32-E54 IonicContact CD2-OE1 3.3Å; H32-E54 PolarHBondContact CD2-OE1 2.87Å; H32-E54 VanDerWaalsContact CD2-OE1 3.3Å; H32-E54 IonicContact CD2-OE2 3.44Å; H32-E54 PolarHBondContact CD2-OE2 2.87Å; H32-E54 IonicContact CG-OE1 3.7Å; H32-E54 IonicContact NE2-OE2 3.99Å; F34-E54 HydrophobicContact CE1-CG 4.24Å; F34-E54 HydrophobicContact CZ-CG 4.24Å; C52-E54 PolarHBondContact O-N 2.99Å; C52-E54 VanDerWaalsContact O-N 3.16Å; C52-E54 PolarHBondContact SG-N 3.28Å; C52-E54 VanDerWaalsContact SG-N 3.39Å
55C87.1Confident69.1Low45 Ų4598.2 Ų98.230%0.30449%0.485SS..THydrogen-bonded Turntrans-123.12.7-171.871.10000114.6C30 H32 C52 K57C30-C55 VanDerWaalsContact SG-SG 3.62Å; H32-C55 VanDerWaalsContact CE1-SG 3.55Å; C52-C55 VanDerWaalsContact CB-SG 3.53Å; C55-K57 PolarHBondContact O-N 3.36Å
56L80.9Confident70.9Confident118 Ų11894.8 Ų94.862%0.61847%0.468SS*.  trans58.65.8179.4-55173.9000115.1Q51 C52 T58Q51-L56 WeakPolarHBondContact CG-O 3.41Å; C52-L56 WeakPolarHBondContact O-CA 3.38Å; C52-L56 PolarHBondContact O-N 2.94Å; L56-T58 PolarHBondContact O-N 2.87Å
57K82.3Confident72.9Confident133 Ų13392.9 Ų92.958%0.57846%0.459SS*.  trans-66135177.4-71.1-175.2-179.4-179.80110.9C30 Q51 C52 C55C30-K57 HydrophobicContact CB-CB 4.12Å; C30-K57 HydrophobicContact CB-CD 4.06Å; Q51-K57 WeakPolarHBondContact CA-O 3.3Å; C52-K57 PolarHBondContact N-O 2.83Å; C55-K57 PolarHBondContact O-N 3.36Å
58T75Confident75.2Confident93 Ų9393.2 Ų93.257%0.57145%0.454SS*.BIsolated β-bridgetrans-73.2127.7177.9-48.10000111.3T50 L56T50-T58 CarbonylContact O-C 3.58Å; T50-T58 VanDerWaalsContact O-C 3.26Å; T50-T58 WeakPolarHBondContact O-CA 3.49Å; T50-T58 WeakPolarHBondContact OG1-CG2 3.34Å; L56-T58 PolarHBondContact O-N 2.87Å
59T69.2Low77.4Confident8 Ų896.6 Ų96.65%0.04946%0.458CS..  trans-123.2131.3177.5172.80000110.3I28 D29 W43 T50 Q61I28-T59 HydrophobicContact CB-CG2 4.43Å; I28-T59 HydrophobicContact CD1-CG2 4.07Å; D29-T59 PolarHBondContact OD2-OG1 2.84Å; W43-T59 HydrophobicContact CH2-CG2 4.35Å; W43-T59 HydrophobicContact CZ2-CG2 4.35Å; T50-T59 WeakPolarHBondContact CB-O 3.4Å; T50-T59 WeakPolarHBondContact CG2-O 3.39Å; T50-T59 WeakPolarHBondContact O-CG2 3.47Å; T50-T59 PolarHBondContact O-N 2.8Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.22Å; T59-Q61 PolarHBondContact OG1-N 2.76Å
60Q65.6Low79.5Confident168 Ų16893.1 Ų93.179%0.78544%0.44SS*.  trans-99.515176.2-63.8-1743.500112.3R62Q60-R62 PolarHBondContact O-N 2.58Å
61Q68.1Low81.1Confident57 Ų5794.3 Ų94.327%0.26644%0.442SS..  trans-70.8104.2-172-164.6178.4-800111.8I28 D29 T59 N63 L64I28-Q61 VanDerWaalsContact CA-OE1 3.27Å; D29-Q61 VanDerWaalsContact N-OE1 3.11Å; D29-Q61 PolarHBondContact OD1-OE1 2.78Å; D29-Q61 VanDerWaalsContact OD1-OE1 3.14Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.22Å; T59-Q61 PolarHBondContact OG1-N 2.76Å; Q61-N63 PolarHBondContact NE2-O 3.16Å; Q61-L64 HydrophobicContact CB-CD2 4.28Å; Q61-L64 HydrophobicContact CG-CD2 4Å
62R60.8Low82.1Confident234 Ų23496.7 Ų96.788%0.88345%0.451SS*.  trans-80-29.4177.7-62.8-174.2179.2-163-1.1113.3Q60Q60-R62 PolarHBondContact O-N 2.58Å
63N67.3Low82.7Confident134 Ų134101.1 Ų101.172%0.71747%0.473SS*.SBendtrans-11089.5-174.3-69.5-31.6000110.8Q61 K65Q61-N63 PolarHBondContact NE2-O 3.16Å; N63-K65 PolarHBondContact O-N 3Å
64L78.1Confident83.4Confident22 Ų2296 Ų9612%0.11545%0.45CS..PPolyproline II helixtrans-78.7116.6178.3-62.1-178.3000111.1V26 I28 R36 F39 Q61V26-L64 HydrophobicContact CB-CB 4.07Å; V26-L64 HydrophobicContact CB-CD1 4.31Å; V26-L64 HydrophobicContact CG1-CB 3.92Å; V26-L64 HydrophobicContact CG2-CD1 4.03Å; I28-L64 HydrophobicContact CG2-CD2 3.85Å; R36-L64 PolarHBondContact NH2-O 3.03Å; F39-L64 HydrophobicContact CD1-CD1 3.59Å; F39-L64 HydrophobicContact CD2-CD1 3.67Å; F39-L64 HydrophobicContact CE1-CD1 3.45Å; F39-L64 VanDerWaalsContact CE1-CD1 3.45Å; F39-L64 HydrophobicContact CE2-CD1 3.54Å; F39-L64 HydrophobicContact CG-CD1 3.7Å; F39-L64 HydrophobicContact CZ-CD1 3.43Å; F39-L64 VanDerWaalsContact CZ-CD1 3.43Å; F39-L64 HydrophobicContact CZ-CG 4.47Å; Q61-L64 HydrophobicContact CB-CD2 4.28Å; Q61-L64 HydrophobicContact CG-CD2 4Å
65K86.3Confident83.8Confident170 Ų17092.5 Ų92.574%0.73944%0.437SS*.PPolyproline II helixtrans-91.7140.2173.3-67.2-175.8-179.8178.50109.8N63N63-K65 PolarHBondContact O-N 3Å
66T91.6Very high84Confident40 Ų4099.6 Ų99.625%0.24546%0.457CS..BIsolated β-bridgetrans-69.2131.6175.1-59.90000110.1D24 P25 R36 I68 K71D24-T66 WeakPolarHBondContact OD1-CG2 3.27Å; D24-T66 PolarHBondContact OD1-OG1 3.49Å; D24-T66 PolarHBondContact OD2-OG1 3.08Å; P25-T66 CarbonylContact O-C 3.28Å; P25-T66 VanDerWaalsContact O-CA 3.31Å; P25-T66 WeakPolarHBondContact O-CA 3.11Å; R36-T66 PolarHBondContact NH2-OG1 3.25Å; R36-T66 VanDerWaalsContact NH2-OG1 3.13Å; T66-I68 PolarHBondContact O-N 3.49Å; T66-I68 VanDerWaalsContact O-N 3.09Å; T66-K71 HydrophobicContact CG2-CB 4.34Å; T66-K71 HydrophobicContact CG2-CD 3.73Å
67N94.4Very high84.5Confident53 Ų5394.8 Ų94.828%0.28344%0.435SS..  trans-75.695170.1-172.5-35.8000109.5P25 T27 R69 L70 K71P25-N67 HydrophobicContact CG-CB 4.49Å; P25-N67 PolarHBondContact O-N 2.69Å; T27-N67 PolarHBondContact OG1-ND2 3.33Å; T27-N67 VanDerWaalsContact OG1-ND2 3.12Å; N67-R69 VanDerWaalsContact C-N 3.29Å; N67-R69 PolarHBondContact O-N 3.33Å; N67-R69 PolarHBondContact OD1-N 3.42Å; N67-L70 HydrophobicContact CB-CB 4.01Å; N67-L70 PolarHBondContact O-N 2.88Å; N67-L70 WeakPolarHBondContact OD1-CB 3.38Å; N67-L70 PolarHBondContact OD1-N 3.01Å; N67-K71 WeakPolarHBondContact O-CB 3.46Å; N67-K71 PolarHBondContact O-N 3.24Å
68I94.6Very high85Confident112 Ų11289.7 Ų89.757%0.57441%0.412SS*.Hα-helixtrans-61-37.6-172.9-59.5172.7000111.9T66 K72T66-I68 PolarHBondContact O-N 3.49Å; T66-I68 VanDerWaalsContact O-N 3.09Å; I68-K72 HydrophobicContact CG2-CD 4.44Å; I68-K72 WeakPolarHBondContact O-CG 3.38Å; I68-K72 PolarHBondContact O-N 3.09Å
69R94.4Very high85.8Confident208 Ų20888.1 Ų88.179%0.78540%0.397SS*.Hα-helixtrans-66.6-50.6179.7-69.7-174.4-179.1-163.80.8110.5N67 K71 K72 M73N67-R69 VanDerWaalsContact C-N 3.29Å; N67-R69 PolarHBondContact O-N 3.33Å; N67-R69 PolarHBondContact OD1-N 3.42Å; R69-K71 VanDerWaalsContact C-N 3.3Å; R69-K71 PolarHBondContact O-N 2.97Å; R69-K72 PolarHBondContact O-N 3.25Å; R69-M73 WeakPolarHBondContact O-CG 3.49Å; R69-M73 PolarHBondContact O-N 2.94Å
70L94.6Very high86.7Confident23 Ų2390.5 Ų90.512%0.1242%0.417CS..Hα-helixtrans-62-39.1178.2-171.855.8000111.5L13 F22 P25 N67 K72 M73 A74L13-L70 HydrophobicContact CD2-CD1 3.59Å; F22-L70 HydrophobicContact CD2-CD1 3.9Å; F22-L70 HydrophobicContact CD2-CD2 3.77Å; F22-L70 HydrophobicContact CD2-CG 3.81Å; F22-L70 HydrophobicContact CE2-CD1 4.18Å; F22-L70 HydrophobicContact CE2-CD2 3.76Å; F22-L70 HydrophobicContact CE2-CG 4.24Å; F22-L70 HydrophobicContact CG-CD2 4.31Å; F22-L70 HydrophobicContact CG-CG 4.39Å; F22-L70 HydrophobicContact CZ-CD2 4.28Å; P25-L70 HydrophobicContact CB-CB 4.34Å; P25-L70 HydrophobicContact CB-CD2 3.73Å; P25-L70 HydrophobicContact CB-CG 3.98Å; P25-L70 HydrophobicContact CG-CB 3.86Å; P25-L70 HydrophobicContact CG-CD2 4.14Å; P25-L70 HydrophobicContact CG-CG 3.83Å; N67-L70 HydrophobicContact CB-CB 4.01Å; N67-L70 PolarHBondContact O-N 2.88Å; N67-L70 WeakPolarHBondContact OD1-CB 3.38Å; N67-L70 PolarHBondContact OD1-N 3.01Å; L70-K72 PolarHBondContact O-N 3.12Å; L70-M73 PolarHBondContact O-N 2.84Å; L70-A74 VanDerWaalsContact O-CB 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.33Å; L70-A74 PolarHBondContact O-N 3.29Å
71K94.9Very high87.8Confident63 Ų6385.2 Ų85.227%0.27440%0.399SS..Hα-helixtrans-57.8-46.9173.9-175.3170.4179.2168.50112.1D24 P25 T66 N67 R69 S75D24-K71 WeakPolarHBondContact OD1-CD 3.43Å; D24-K71 WeakPolarHBondContact OD1-CE 3.35Å; D24-K71 IonicContact OD1-NZ 3.44Å; D24-K71 PolarHBondContact OD1-NZ 3.27Å; P25-K71 HydrophobicContact CG-CB 3.97Å; T66-K71 HydrophobicContact CG2-CB 4.34Å; T66-K71 HydrophobicContact CG2-CD 3.73Å; N67-K71 WeakPolarHBondContact O-CB 3.46Å; N67-K71 PolarHBondContact O-N 3.24Å; R69-K71 VanDerWaalsContact C-N 3.3Å; R69-K71 PolarHBondContact O-N 2.97Å; K71-S75 WeakPolarHBondContact O-CB 3.43Å; K71-S75 PolarHBondContact O-N 3.07Å
72K94.6Very high88.9Confident140 Ų14084.5 Ų84.561%0.60940%0.397SS*.Hα-helixtrans-64-43.7178.3-74.6179.3179.5-175.50111.6I68 R69 L70 S75 R76I68-K72 HydrophobicContact CG2-CD 4.44Å; I68-K72 WeakPolarHBondContact O-CG 3.38Å; I68-K72 PolarHBondContact O-N 3.09Å; R69-K72 PolarHBondContact O-N 3.25Å; L70-K72 PolarHBondContact O-N 3.12Å; K72-S75 PolarHBondContact O-N 3.32Å; K72-R76 WeakPolarHBondContact O-CG 3.39Å; K72-R76 PolarHBondContact O-N 3.11Å; K72-R76 VanDerWaalsContact O-N 3.13Å
73M93.9Very high90.1Very high94 Ų9480 Ų8046%0.46338%0.38SS..Hα-helixtrans-64.4-47.6178-67.4175.271.400111.7L13 R69 L70 S75 R76 A77L13-M73 HydrophobicContact CD1-CB 4.36Å; L13-M73 HydrophobicContact CD2-CB 3.63Å; L13-M73 HydrophobicContact CD2-CE 4.16Å; R69-M73 WeakPolarHBondContact O-CG 3.49Å; R69-M73 PolarHBondContact O-N 2.94Å; L70-M73 PolarHBondContact O-N 2.84Å; M73-S75 VanDerWaalsContact C-N 3.32Å; M73-S75 PolarHBondContact O-N 2.67Å; M73-R76 PolarHBondContact O-N 2.72Å; M73-A77 PolarHBondContact O-N 2.99Å
74A93.6Very high91.1Very high0 Ų079.3 Ų79.30%038%0.375CS..Hα-helixtrans-62.8-36.9177.700000112.4F22 L70 A77 R78F22-A74 HydrophobicContact CB-CB 3.81Å; F22-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 VanDerWaalsContact O-CB 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.33Å; L70-A74 PolarHBondContact O-N 3.29Å; A74-A77 PolarHBondContact O-N 2.71Å; A74-R78 WeakPolarHBondContact O-CG 3.38Å; A74-R78 PolarHBondContact O-N 3.32Å; A74-R78 PolarHBondContact O-NH1 2.93Å
75S92.8Very high91.6Very high27 Ų2783.1 Ų83.119%0.18939%0.391CS..Hα-helixtrans-62.3-43.7173.9-174.50000111.8K71 K72 M73 A77 R78 K79 E134K71-S75 WeakPolarHBondContact O-CB 3.43Å; K71-S75 PolarHBondContact O-N 3.07Å; K72-S75 PolarHBondContact O-N 3.32Å; M73-S75 VanDerWaalsContact C-N 3.32Å; M73-S75 PolarHBondContact O-N 2.67Å; S75-A77 PolarHBondContact O-N 3.19Å; S75-R78 PolarHBondContact O-N 2.79Å; S75-K79 WeakPolarHBondContact O-CG 3.44Å; S75-K79 PolarHBondContact O-N 2.92Å; S75-E134 PolarHBondContact OG-OE2 3.03Å
76R91.5Very high91.6Very high194 Ų19475.4 Ų75.473%0.73236%0.358SS*.Hα-helixtrans-62.1-44.1174.6-70.9176.4175-179.9-3.5112.2K72 M73 R78 K79 A80K72-R76 WeakPolarHBondContact O-CG 3.39Å; K72-R76 PolarHBondContact O-N 3.11Å; K72-R76 VanDerWaalsContact O-N 3.13Å; M73-R76 PolarHBondContact O-N 2.72Å; R76-R78 PolarHBondContact O-N 3.49Å; R76-K79 PolarHBondContact O-N 2.93Å; R76-A80 WeakPolarHBondContact O-CB 3.33Å; R76-A80 PolarHBondContact O-N 2.95Å
77A91.6Very high91.4Very high18 Ų1875.6 Ų75.615%0.14936%0.361CS..Hα-helixtrans-62.3-42.3177.300000112.1L13 Y21 M73 A74 S75 A80 S81L13-A77 HydrophobicContact CD1-CB 3.79Å; Y21-A77 HydrophobicContact CD1-CB 3.86Å; Y21-A77 HydrophobicContact CE1-CB 3.64Å; Y21-A77 HydrophobicContact CE2-CB 4.4Å; Y21-A77 HydrophobicContact CG-CB 4.33Å; M73-A77 PolarHBondContact O-N 2.99Å; A74-A77 PolarHBondContact O-N 2.71Å; S75-A77 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 2.82Å; A77-S81 WeakPolarHBondContact O-CB 3.48Å; A77-S81 PolarHBondContact O-N 3.2Å
78R92.3Very high91.1Very high25 Ų2574.8 Ų74.89%0.09436%0.36CS..Hα-helixtrans-61.4-44.9173.4-76.7-166.5-57.8-81.53.9112.7Y21 F22 A74 S75 R76 S81 L82 E134Y21-R78 HydrophobicContact CD2-CG 3.81Å; Y21-R78 HydrophobicContact CG-CG 4.02Å; F22-R78 PolarHBondContact O-NH1 2.97Å; A74-R78 WeakPolarHBondContact O-CG 3.38Å; A74-R78 PolarHBondContact O-N 3.32Å; A74-R78 PolarHBondContact O-NH1 2.93Å; S75-R78 PolarHBondContact O-N 2.79Å; R76-R78 PolarHBondContact O-N 3.49Å; R78-S81 PolarHBondContact O-N 2.87Å; R78-L82 WeakPolarHBondContact O-CB 3.42Å; R78-L82 PolarHBondContact O-N 3.43Å; R78-E134 IonicContact CZ-OE1 3.6Å; R78-E134 IonicContact CZ-OE2 3.69Å; R78-E134 IonicContact NE-OE1 2.86Å; R78-E134 PolarHBondContact NE-OE1 3.29Å; R78-E134 IonicContact NE-OE2 2.79Å; R78-E134 IonicContact NH2-OE1 3.49Å; R78-E134 PolarHBondContact NH2-OE1 3.23Å; R78-E134 IonicContact NH2-OE2 2.91Å; R78-E134 PolarHBondContact NH2-OE2 3.36Å
79K90.9Very high90.7Very high61 Ų6178.1 Ų78.127%0.26537%0.373SS..Hα-helixtrans-61.7-44.9177.7-72.9-173.7176.9-158.10111.6S75 R76 L82 W83 E130S75-K79 WeakPolarHBondContact O-CG 3.44Å; S75-K79 PolarHBondContact O-N 2.92Å; R76-K79 PolarHBondContact O-N 2.93Å; K79-L82 PolarHBondContact O-N 3.34Å; K79-W83 WeakPolarHBondContact O-CB 3.49Å; K79-W83 PolarHBondContact O-N 2.93Å; K79-E130 HydrophobicContact CG-CB 4.34Å; K79-E130 IonicContact NZ-OE1 2.82Å; K79-E130 PolarHBondContact NZ-OE1 3.21Å
80A89.5Confident90.3Very high57 Ų5775.7 Ų75.747%0.47137%0.37SS..Hα-helixtrans-61.8-44.7175.500000111.9R76 A77 L82 W83 L84R76-A80 WeakPolarHBondContact O-CB 3.33Å; R76-A80 PolarHBondContact O-N 2.95Å; A77-A80 PolarHBondContact O-N 2.82Å; A80-L82 PolarHBondContact O-N 3.15Å; A80-W83 PolarHBondContact O-N 2.95Å; A80-L84 PolarHBondContact O-N 3.41Å
81S89.1Confident90Very high57 Ų5776.3 Ų76.340%0.39937%0.372SS..Hα-helixtrans-61.8-42.2176.5-170.50000112.3A77 R78 L84 F85A77-S81 WeakPolarHBondContact O-CB 3.48Å; A77-S81 PolarHBondContact O-N 3.2Å; R78-S81 PolarHBondContact O-N 2.87Å; S81-L84 PolarHBondContact O-N 2.82Å; S81-F85 PolarHBondContact O-N 3.33Å; S81-F85 VanDerWaalsContact O-N 3.11Å
82L89.4Confident89.8Confident42 Ų4276.5 Ų76.522%0.2238%0.375CS..Hα-helixtrans-65.3-40.9175.8177.363.5000111R78 K79 A80 L84 F85 L86 E130 A133R78-L82 WeakPolarHBondContact O-CB 3.42Å; R78-L82 PolarHBondContact O-N 3.43Å; K79-L82 PolarHBondContact O-N 3.34Å; A80-L82 PolarHBondContact O-N 3.15Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 3.13Å; L82-F85 HydrophobicContact CD1-CD1 4.23Å; L82-F85 WeakPolarHBondContact O-CB 3.42Å; L82-F85 PolarHBondContact O-N 2.86Å; L82-L86 HydrophobicContact CD1-CD1 4.11Å; L82-L86 HydrophobicContact CD1-CD2 4.42Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CD2-CD1 4.44Å; L82-L86 HydrophobicContact CG-CD1 3.87Å; L82-L86 HydrophobicContact CG-CG 4.19Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.21Å; L82-L86 PolarHBondContact O-N 3.34Å; L82-E130 HydrophobicContact CD2-CB 4.14Å; L82-A133 HydrophobicContact CD2-CB 4.04Å
83W86.8Confident89.7Confident140 Ų14070.1 Ų70.153%0.5335%0.348SS..Hα-helixtrans-61.8-40178.2-174.791.6000112.4K79 A80 L86 S87K79-W83 WeakPolarHBondContact O-CB 3.49Å; K79-W83 PolarHBondContact O-N 2.93Å; A80-W83 PolarHBondContact O-N 2.95Å; W83-L86 PolarHBondContact O-N 3.35Å; W83-S87 WeakPolarHBondContact O-CB 3.32Å; W83-S87 PolarHBondContact O-N 3.13Å; W83-S87 VanDerWaalsContact O-N 3.12Å; W83-S87 PolarHBondContact O-OG 2.76Å
84L87.8Confident89.5Confident119 Ų11969.2 Ų69.262%0.62336%0.363SS*.Hα-helixtrans-62.6-45.4173-71170.3000111.5A80 S81 L82 L86 S87 S88A80-L84 PolarHBondContact O-N 3.41Å; S81-L84 PolarHBondContact O-N 2.82Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 3.13Å; L84-L86 PolarHBondContact O-N 2.91Å; L84-S87 PolarHBondContact O-N 2.87Å; L84-S87 VanDerWaalsContact O-N 3.15Å; L84-S88 PolarHBondContact O-N 2.88Å
85F88.1Confident89.3Confident103 Ų10374.8 Ų74.845%0.45240%0.397SS..Hα-helixtrans-59.2-46.6175.6171.6-97.3000112.2S81 L82 S87 S88 Q91S81-F85 PolarHBondContact O-N 3.33Å; S81-F85 VanDerWaalsContact O-N 3.11Å; L82-F85 HydrophobicContact CD1-CD1 4.23Å; L82-F85 WeakPolarHBondContact O-CB 3.42Å; L82-F85 PolarHBondContact O-N 2.86Å; F85-S87 PolarHBondContact O-N 3.21Å; F85-S88 WeakPolarHBondContact O-CB 3.45Å; F85-S88 PolarHBondContact O-N 2.73Å; F85-S88 PolarHBondContact O-OG 2.85Å; F85-Q91 HydrophobicContact CD1-CG 4.34Å; F85-Q91 HydrophobicContact CE1-CG 3.91Å; F85-Q91 HydrophobicContact CZ-CG 4.04Å; F85-Q91 WeakPolarHBondContact O-CG 3.33Å
86L88.2Confident89.3Confident7 Ų776.9 Ų76.94%0.03740%0.403CS..Hα-helixtrans-69.2-12.8178.9-66.3175.9000113.5L82 W83 L84 T99 K101 L110 A129L82-L86 HydrophobicContact CD1-CD1 4.11Å; L82-L86 HydrophobicContact CD1-CD2 4.42Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CD2-CD1 4.44Å; L82-L86 HydrophobicContact CG-CD1 3.87Å; L82-L86 HydrophobicContact CG-CG 4.19Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.21Å; L82-L86 PolarHBondContact O-N 3.34Å; W83-L86 PolarHBondContact O-N 3.35Å; L84-L86 PolarHBondContact O-N 2.91Å; L86-T99 WeakPolarHBondContact O-CB 3.42Å; L86-T99 WeakPolarHBondContact O-CG2 3.39Å; L86-K101 HydrophobicContact CB-CG 4.29Å; L86-K101 HydrophobicContact CD1-CG 4.45Å; L86-L110 HydrophobicContact CD2-CD1 3.69Å; L86-A129 HydrophobicContact CD1-CB 3.83Å
87S86.4Confident89.2Confident45 Ų4577.5 Ų77.532%0.31541%0.406SS..THydrogen-bonded Turntrans-98.54.3177.8-54.20000112.8W83 L84 F85W83-S87 WeakPolarHBondContact O-CB 3.32Å; W83-S87 PolarHBondContact O-N 3.13Å; W83-S87 VanDerWaalsContact O-N 3.12Å; W83-S87 PolarHBondContact O-OG 2.76Å; L84-S87 PolarHBondContact O-N 2.87Å; L84-S87 VanDerWaalsContact O-N 3.15Å; F85-S87 PolarHBondContact O-N 3.21Å
88S87.8Confident89.1Confident36 Ų3680 Ų8025%0.25241%0.414SS..SBendtrans-75157173.7760000111.8L84 F85 E90 Q91L84-S88 PolarHBondContact O-N 2.88Å; F85-S88 WeakPolarHBondContact O-CB 3.45Å; F85-S88 PolarHBondContact O-N 2.73Å; F85-S88 PolarHBondContact O-OG 2.85Å; S88-E90 PolarHBondContact O-N 2.91Å; S88-Q91 PolarHBondContact O-N 3.02Å
89E85.9Confident89.1Confident182 Ų18280.5 Ų80.585%0.8542%0.42SS*.G310 helixtrans-60.1-31.7177.7-66.1-171.5166.100112.5Q91 M92E89-Q91 PolarHBondContact O-N 3.09Å; E89-M92 VanDerWaalsContact O-CB 3.28Å; E89-M92 WeakPolarHBondContact O-CB 3.4Å; E89-M92 VanDerWaalsContact O-CG 3.25Å; E89-M92 WeakPolarHBondContact O-CG 3.27Å; E89-M92 PolarHBondContact O-N 2.83Å
90E85.9Confident89.2Confident156 Ų15680.4 Ų80.473%0.72942%0.42SS*.G310 helixtrans-62.7-27176.7-62.6177.5176.500113S88 M92S88-E90 PolarHBondContact O-N 2.91Å; E90-M92 VanDerWaalsContact C-N 3.33Å
91Q89.4Confident89.4Confident36 Ų3681.3 Ų81.317%0.16841%0.413CS..G310 helixtrans-96.415.4-179.2-59.6-52.5-43.100113.1F85 S88 E89 K100F85-Q91 HydrophobicContact CD1-CG 4.34Å; F85-Q91 HydrophobicContact CE1-CG 3.91Å; F85-Q91 HydrophobicContact CZ-CG 4.04Å; F85-Q91 WeakPolarHBondContact O-CG 3.33Å; S88-Q91 PolarHBondContact O-N 3.02Å; E89-Q91 PolarHBondContact O-N 3.09Å; Q91-K100 WeakPolarHBondContact O-CB 3.33Å; Q91-K100 WeakPolarHBondContact O-CG 3.25Å; Q91-K100 PolarHBondContact O-N 2.89Å
92M90.7Very high89.6Confident67 Ų6780.1 Ų80.133%0.3340%0.402SS..BIsolated β-bridgetrans-79.3142.7174.8-62.7-67-85.300111.2E89 E90 G94 R97 T99 K100E89-M92 VanDerWaalsContact O-CB 3.28Å; E89-M92 WeakPolarHBondContact O-CB 3.4Å; E89-M92 VanDerWaalsContact O-CG 3.25Å; E89-M92 WeakPolarHBondContact O-CG 3.27Å; E89-M92 PolarHBondContact O-N 2.83Å; E90-M92 VanDerWaalsContact C-N 3.33Å; M92-G94 PolarHBondContact O-N 2.97Å; M92-R97 WeakPolarHBondContact CE-O 3.29Å; M92-T99 HydrophobicContact SD-CG2 3.53Å; M92-T99 VanDerWaalsContact SD-CG2 3.53Å; M92-K100 WeakPolarHBondContact O-CE 3.11Å
93C92.3Very high89.9Confident7 Ų779.5 Ų79.55%0.04740%0.398CS..  trans-68124.8169-179.40000109.5T95 H96 R97 E98 K100 C112C93-T95 VanDerWaalsContact C-N 3.25Å; C93-T95 PolarHBondContact O-N 2.76Å; C93-H96 HydrophobicContact CB-CB 4.27Å; C93-H96 PolarHBondContact SG-N 2.76Å; C93-R97 VanDerWaalsContact O-CA 3.23Å; C93-R97 WeakPolarHBondContact O-CA 3.36Å; C93-R97 PolarHBondContact O-N 2.87Å; C93-E98 WeakPolarHBondContact CB-O 3.18Å; C93-E98 PolarHBondContact N-O 2.86Å; C93-K100 HydrophobicContact CB-CG 4.44Å; C93-C112 HydrophobicContact CB-CB 3.96Å
94G89.3Confident90.4Very high74 Ų7472.8 Ų72.876%0.76337%0.372SS*.THydrogen-bonded Turntrans-61.8-33.217900000113.3M92M92-G94 PolarHBondContact O-N 2.97Å
95T90.6Very high90.7Very high117 Ų11770 Ų7072%0.71836%0.356SS*.THydrogen-bonded Turntrans-81.8-50-178.8-46.70000112.3C93C93-T95 VanDerWaalsContact C-N 3.25Å; C93-T95 PolarHBondContact O-N 2.76Å
96H91.7Very high91Very high71 Ų7169.1 Ų69.133%0.32936%0.359SS..THydrogen-bonded Turntrans-97.9-11.3-170.1-60.3115.8000114.1C93 E98 C112 L114 C115C93-H96 HydrophobicContact CB-CB 4.27Å; C93-H96 PolarHBondContact SG-N 2.76Å; H96-E98 HydrophobicContact CB-CB 4.5Å; H96-E98 HydrophobicContact CB-CG 4.37Å; H96-E98 PolarHBondContact O-N 2.94Å; H96-C112 PolarHBondContact ND1-SG 2.84Å; H96-C112 VanDerWaalsContact ND1-SG 3.41Å; H96-L114 HydrophobicContact CB-CB 4.46Å; H96-L114 HydrophobicContact CB-CD1 3.95Å; H96-L114 VanDerWaalsContact CD2-CD1 3.45Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.32Å; H96-C115 VanDerWaalsContact CE1-SG 3.54Å; H96-C115 PolarHBondContact ND1-SG 2.85Å
97R89.9Confident91.3Very high207 Ų20772.3 Ų72.378%0.78138%0.376SS*.  trans53.739.3-174.7-55.1-175.8176.9-166.9-1.2112.7M92 C93M92-R97 WeakPolarHBondContact CE-O 3.29Å; C93-R97 VanDerWaalsContact O-CA 3.23Å; C93-R97 WeakPolarHBondContact O-CA 3.36Å; C93-R97 PolarHBondContact O-N 2.87Å
98E90Very high91.7Very high70 Ų7079.4 Ų79.433%0.32740%0.396SS..  trans-118.5148.8175.7-71.6-174.8166.600111.5C93 H96 C112C93-E98 WeakPolarHBondContact CB-O 3.18Å; C93-E98 PolarHBondContact N-O 2.86Å; H96-E98 HydrophobicContact CB-CB 4.5Å; H96-E98 HydrophobicContact CB-CG 4.37Å; H96-E98 PolarHBondContact O-N 2.94Å; E98-C112 HydrophobicContact CB-CB 3.69Å
99T91.6Very high91.9Very high36 Ų3679.6 Ų79.622%0.22140%0.397CS..BIsolated β-bridgetrans-63.9133.9176.8560000111.9L86 M92 K101L86-T99 WeakPolarHBondContact O-CB 3.42Å; L86-T99 WeakPolarHBondContact O-CG2 3.39Å; M92-T99 HydrophobicContact SD-CG2 3.53Å; M92-T99 VanDerWaalsContact SD-CG2 3.53Å; T99-K101 PolarHBondContact O-N 3.45Å; T99-K101 VanDerWaalsContact O-N 3.09Å; T99-K101 WeakPolarHBondContact OG1-CD 3.08Å; T99-K101 WeakPolarHBondContact OG1-CE 3.18Å; T99-K101 PolarHBondContact OG1-NZ 2.92Å
100K93.4Very high92.3Very high60 Ų6073.5 Ų73.526%0.26137%0.37SS..  trans-81.883.2179.6-63.3168.9-178.9173.60112.4Q91 M92 C93 L110 L111Q91-K100 WeakPolarHBondContact O-CB 3.33Å; Q91-K100 WeakPolarHBondContact O-CG 3.25Å; Q91-K100 PolarHBondContact O-N 2.89Å; M92-K100 WeakPolarHBondContact O-CE 3.11Å; C93-K100 HydrophobicContact CB-CG 4.44Å; K100-L110 HydrophobicContact CB-CB 3.85Å; K100-L110 WeakPolarHBondContact CD-O 3.41Å; K100-L111 CarbonylContact C-O 3.56Å; K100-L111 VanDerWaalsContact C-O 3.28Å; K100-L111 WeakPolarHBondContact CA-O 3.42Å
101K92.7Very high92.7Very high75 Ų7566.7 Ų66.733%0.32634%0.339SS..  trans-99.4-4.4-175.2-70.7172.7176.1156.30115.1L86 T99 L111 A129L86-K101 HydrophobicContact CB-CG 4.29Å; L86-K101 HydrophobicContact CD1-CG 4.45Å; T99-K101 PolarHBondContact O-N 3.45Å; T99-K101 VanDerWaalsContact O-N 3.09Å; T99-K101 WeakPolarHBondContact OG1-CD 3.08Å; T99-K101 WeakPolarHBondContact OG1-CE 3.18Å; T99-K101 PolarHBondContact OG1-NZ 2.92Å; K101-L111 PolarHBondContact N-O 2.94Å; K101-L111 VanDerWaalsContact N-O 3.14Å; K101-A129 WeakPolarHBondContact O-CB 3.37Å; K101-A129 PolarHBondContact O-N 2.95Å
102I94Very high93Very high32 Ų3265 Ų6516%0.16433%0.331CS..EExtended strand (participates in β ladder)trans-104.3134.5-177.4-59176000108.6L110 L111 L113 S116 H126I102-L110 CarbonylContact O-C 3.54Å; I102-L110 VanDerWaalsContact O-CA 3.32Å; I102-L110 WeakPolarHBondContact O-CA 3.22Å; I102-L111 HydrophobicContact CB-CB 4.39Å; I102-L111 WeakPolarHBondContact CB-O 3.37Å; I102-L111 PolarHBondContact N-O 2.76Å; I102-L111 PolarHBondContact O-N 3Å; I102-L113 HydrophobicContact CD1-CB 4.33Å; I102-L113 HydrophobicContact CD1-CD1 3.84Å; I102-S116 WeakPolarHBondContact CD1-OG 3.39Å; I102-H126 HydrophobicContact CG2-CB 3.7Å
103F96.4Very high93Very high29 Ų2967.2 Ų67.213%0.12734%0.343CS..EExtended strand (participates in β ladder)trans-101.3130.7173.4179.1-105.6000110.1E105 R108 L110 H126 C127 A129 A132 H136F103-E105 HydrophobicContact CD1-CG 4.41Å; F103-E105 HydrophobicContact CE1-CG 4.37Å; F103-R108 HydrophobicContact CE2-CB 4.4Å; F103-R108 HydrophobicContact CZ-CB 4.25Å; F103-R108 HydrophobicContact CZ-CG 4.43Å; F103-L110 HydrophobicContact CB-CD2 4.37Å; F103-L110 HydrophobicContact CD2-CD2 4.36Å; F103-H126 VanDerWaalsContact O-CA 3.31Å; F103-H126 WeakPolarHBondContact O-CA 3.28Å; F103-C127 PolarHBondContact N-O 2.66Å; F103-C127 PolarHBondContact O-N 2.88Å; F103-A129 HydrophobicContact CB-CB 4.44Å; F103-A132 HydrophobicContact CB-CB 3.88Å; F103-A132 HydrophobicContact CD1-CB 3.51Å; F103-A132 HydrophobicContact CE1-CB 4.2Å; F103-A132 HydrophobicContact CG-CB 3.79Å; F103-H136 AromaticContact CE1-NE2 3.67Å; F103-H136 AromaticContact CZ-NE2 3.92Å
104C96.4Very high93.1Very high0 Ų071 Ų710%036%0.363CS..EExtended strand (participates in β ladder)trans-92.1120.6171.2173.40000110.6V106 D107 R108 S109 L111C104-V106 VanDerWaalsContact C-N 3.31Å; C104-V106 PolarHBondContact O-N 3.2Å; C104-D107 PolarHBondContact SG-N 2.78Å; C104-D107 VanDerWaalsContact SG-N 3.37Å; C104-D107 PolarHBondContact SG-OD2 2.95Å; C104-R108 WeakPolarHBondContact O-CA 3.46Å; C104-R108 PolarHBondContact O-N 2.91Å; C104-S109 PolarHBondContact N-O 2.78Å; C104-L111 HydrophobicContact CB-CD1 3.83Å; C104-L111 HydrophobicContact CB-CG 4.34Å
105E94.6Very high93.3Very high60 Ų6068.7 Ų68.728%0.2834%0.335SS..THydrogen-bonded Turntrans-69.8-29.4-177.6-68.8-177.7-158.500112.9F103 R125F103-E105 HydrophobicContact CD1-CG 4.41Å; F103-E105 HydrophobicContact CE1-CG 4.37Å; E105-R125 HydrophobicContact CB-CB 4.41Å; E105-R125 PolarHBondContact N-O 3.12Å; E105-R125 IonicContact OE1-CZ 3.86Å; E105-R125 IonicContact OE1-NE 3.61Å; E105-R125 PolarHBondContact OE1-NE 3.33Å; E105-R125 IonicContact OE1-NH1 3.49Å; E105-R125 PolarHBondContact OE1-NH1 3.48Å; E105-R125 WeakPolarHBondContact OE2-CD 3.36Å; E105-R125 IonicContact OE2-CZ 2.75Å; E105-R125 IonicContact OE2-NE 2.9Å; E105-R125 IonicContact OE2-NH1 3.75Å; E105-R125 PolarHBondContact OE2-NH1 3.46Å
106V94.9Very high93.5Very high84 Ų8463.6 Ų63.651%0.50930%0.304SS..THydrogen-bonded Turntrans-77.2-59.2-177.4-179.40000110.1C104 R108 H124C104-V106 VanDerWaalsContact C-N 3.31Å; C104-V106 PolarHBondContact O-N 3.2Å; V106-R108 VanDerWaalsContact C-N 3.33Å; V106-R108 PolarHBondContact O-N 3.49Å; V106-H124 HydrophobicContact CB-CB 4.27Å; V106-H124 HydrophobicContact CG2-CB 3.94Å
107D94.1Very high93.5Very high74 Ų7464.3 Ų64.340%0.39632%0.317SS..THydrogen-bonded Turntrans-84.3-9.7-174.7-49.4-50.3000113.5C104 S109 H121 H124C104-D107 PolarHBondContact SG-N 2.78Å; C104-D107 VanDerWaalsContact SG-N 3.37Å; C104-D107 PolarHBondContact SG-OD2 2.95Å; D107-S109 VanDerWaalsContact C-N 3.27Å; D107-S109 PolarHBondContact O-N 2.85Å; D107-H121 IonicContact OD2-CE1 2.78Å; D107-H121 PolarHBondContact OD2-CE1 3.19Å; D107-H121 IonicContact OD2-ND1 3.68Å; D107-H121 PolarHBondContact OD2-ND1 3.13Å; D107-H124 IonicContact OD1-CE1 2.85Å; D107-H124 PolarHBondContact OD1-CE1 3.49Å; D107-H124 IonicContact OD1-ND1 3.47Å; D107-H124 IonicContact OD2-CE1 3.33Å; D107-H124 PolarHBondContact OD2-CE1 2.9Å; D107-H124 IonicContact OD2-ND1 2.64Å; D107-H124 PolarHBondContact OD2-ND1 3.26Å
108R93.6Very high93.7Very high194 Ų19456.1 Ų56.173%0.73229%0.291SS*.  trans55.339.6-177.2-55.8-157.3177.4-172.65.5114.1F103 C104 V106F103-R108 HydrophobicContact CE2-CB 4.4Å; F103-R108 HydrophobicContact CZ-CB 4.25Å; F103-R108 HydrophobicContact CZ-CG 4.43Å; C104-R108 WeakPolarHBondContact O-CA 3.46Å; C104-R108 PolarHBondContact O-N 2.91Å; V106-R108 VanDerWaalsContact C-N 3.33Å; V106-R108 PolarHBondContact O-N 3.49Å
109S92.9Very high93.8Very high40 Ų4059.5 Ų59.528%0.2831%0.311SS..  trans-119.4158.9-178.162.70000112C104 D107C104-S109 PolarHBondContact N-O 2.78Å; D107-S109 VanDerWaalsContact C-N 3.27Å; D107-S109 PolarHBondContact O-N 2.85Å
110L94.3Very high93.8Very high55 Ų5565.2 Ų65.229%0.28834%0.335SS..EExtended strand (participates in β ladder)trans-92.4130.2171.1-67.5172.6000109.9L86 K100 I102 F103 A129L86-L110 HydrophobicContact CD2-CD1 3.69Å; K100-L110 HydrophobicContact CB-CB 3.85Å; K100-L110 WeakPolarHBondContact CD-O 3.41Å; I102-L110 CarbonylContact O-C 3.54Å; I102-L110 VanDerWaalsContact O-CA 3.32Å; I102-L110 WeakPolarHBondContact O-CA 3.22Å; F103-L110 HydrophobicContact CB-CD2 4.37Å; F103-L110 HydrophobicContact CD2-CD2 4.36Å; L110-A129 HydrophobicContact CD2-CB 3.57Å
111L94.9Very high93.8Very high12 Ų1263.5 Ų63.56%0.06333%0.328CS..EExtended strand (participates in β ladder)trans-120.3149-177-55-179.6000110.4K100 K101 I102 C104 C115 H121K100-L111 CarbonylContact C-O 3.56Å; K100-L111 VanDerWaalsContact C-O 3.28Å; K100-L111 WeakPolarHBondContact CA-O 3.42Å; K101-L111 PolarHBondContact N-O 2.94Å; K101-L111 VanDerWaalsContact N-O 3.14Å; I102-L111 HydrophobicContact CB-CB 4.39Å; I102-L111 WeakPolarHBondContact CB-O 3.37Å; I102-L111 PolarHBondContact N-O 2.76Å; I102-L111 PolarHBondContact O-N 3Å; C104-L111 HydrophobicContact CB-CD1 3.83Å; C104-L111 HydrophobicContact CB-CG 4.34Å; L111-C115 HydrophobicContact CB-CB 4.13Å; L111-C115 HydrophobicContact CD2-CB 4.25Å; L111-H121 HydrophobicContact CD1-CB 3.94Å
112C94.4Very high93.8Very high1 Ų166.2 Ų66.21%0.00734%0.336CS..  trans-80.5172.3159.374.80000110.2C93 H96 E98 L114 C115 S116C93-C112 HydrophobicContact CB-CB 3.96Å; H96-C112 PolarHBondContact ND1-SG 2.84Å; H96-C112 VanDerWaalsContact ND1-SG 3.41Å; E98-C112 HydrophobicContact CB-CB 3.69Å; C112-L114 VanDerWaalsContact C-N 3.32Å; C112-L114 PolarHBondContact O-N 2.96Å; C112-C115 PolarHBondContact O-N 3.14Å; C112-C115 PolarHBondContact SG-N 3.01Å; C112-S116 PolarHBondContact O-N 3.35Å
113L91.8Very high93.8Very high113 Ų11373.1 Ų73.159%0.59236%0.362SS*.THydrogen-bonded Turntrans-63.1-37.7-175.3-176.163.2000112.9I102 S116 S117I102-L113 HydrophobicContact CD1-CB 4.33Å; I102-L113 HydrophobicContact CD1-CD1 3.84Å; L113-S116 PolarHBondContact O-OG 3Å; L113-S117 PolarHBondContact O-OG 2.92Å
114L93.6Very high93.8Very high86 Ų8674.4 Ų74.445%0.4537%0.368SS..THydrogen-bonded Turntrans-70.2-41.5176.9-64.4175.8000111.8H96 C112 S116 S117 S118H96-L114 HydrophobicContact CB-CB 4.46Å; H96-L114 HydrophobicContact CB-CD1 3.95Å; H96-L114 VanDerWaalsContact CD2-CD1 3.45Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.32Å; C112-L114 VanDerWaalsContact C-N 3.32Å; C112-L114 PolarHBondContact O-N 2.96Å; L114-S116 VanDerWaalsContact C-N 3.34Å; L114-S116 PolarHBondContact O-N 2.86Å; L114-S117 PolarHBondContact O-N 3.36Å; L114-S117 VanDerWaalsContact O-N 3.12Å; L114-S118 PolarHBondContact O-N 2.92Å
115C94.8Very high93.7Very high26 Ų2682.2 Ų82.218%0.17640%0.397CS..G310 helixtrans-64.1-35.8175.8-73.20000112.7H96 L111 C112 S117 S118 H121H96-C115 VanDerWaalsContact CE1-SG 3.54Å; H96-C115 PolarHBondContact ND1-SG 2.85Å; L111-C115 HydrophobicContact CB-CB 4.13Å; L111-C115 HydrophobicContact CD2-CB 4.25Å; C112-C115 PolarHBondContact O-N 3.14Å; C112-C115 PolarHBondContact SG-N 3.01Å; C115-S117 PolarHBondContact O-N 2.84Å; C115-S118 WeakPolarHBondContact O-CB 3.49Å; C115-S118 PolarHBondContact O-N 2.93Å; C115-S118 VanDerWaalsContact O-N 3.12Å; C115-S118 PolarHBondContact O-OG 2.77Å; C115-H121 PolarHBondContact O-CD2 3.16Å
116S93.5Very high93.7Very high11 Ų1182 Ų828%0.07740%0.396CS..G310 helixtrans-66.4-16.4176.462.40000113.5I102 C112 L113 L114 H126I102-S116 WeakPolarHBondContact CD1-OG 3.39Å; C112-S116 PolarHBondContact O-N 3.35Å; L113-S116 PolarHBondContact O-OG 3Å; L114-S116 VanDerWaalsContact C-N 3.34Å; L114-S116 PolarHBondContact O-N 2.86Å; S116-H126 PolarHBondContact O-CE1 3.47Å
117S92.4Very high93.7Very high85 Ų8579.1 Ų79.159%0.59438%0.379SS*.G310 helixtrans-102.52.2177.6-49.90000112.7L113 L114 C115L113-S117 PolarHBondContact O-OG 2.92Å; L114-S117 PolarHBondContact O-N 3.36Å; L114-S117 VanDerWaalsContact O-N 3.12Å; C115-S117 PolarHBondContact O-N 2.84Å
118S93.6Very high93.7Very high36 Ų3678.1 Ų78.125%0.25238%0.377SS..SBendtrans-65.5161.5178.578.10000111L114 C115 E120 H121 R122L114-S118 PolarHBondContact O-N 2.92Å; C115-S118 WeakPolarHBondContact O-CB 3.49Å; C115-S118 PolarHBondContact O-N 2.93Å; C115-S118 VanDerWaalsContact O-N 3.12Å; C115-S118 PolarHBondContact O-OG 2.77Å; S118-E120 PolarHBondContact O-N 3.22Å; S118-E120 VanDerWaalsContact O-N 3.14Å; S118-E120 PolarHBondContact OG-N 3.3Å; S118-H121 PolarHBondContact O-N 2.85Å; S118-H121 PolarHBondContact OG-N 2.66Å; S118-R122 WeakPolarHBondContact O-CB 3.08Å; S118-R122 WeakPolarHBondContact O-CG 3.29Å; S118-R122 PolarHBondContact O-N 3.35Å
119L92.2Very high93.7Very high141 Ų14169.2 Ų69.274%0.73835%0.345SS*.THydrogen-bonded Turntrans-55.2-33.5176.1-171.569.1000112.2
120E91.6Very high93.6Very high155 Ų15570.3 Ų70.372%0.72435%0.346SS*.THydrogen-bonded Turntrans-69.2-41-179.6-62.7178162.600112.4S118S118-E120 PolarHBondContact O-N 3.22Å; S118-E120 VanDerWaalsContact O-N 3.14Å; S118-E120 PolarHBondContact OG-N 3.3Å
121H93.8Very high93.4Very high24 Ų2474.9 Ų74.911%0.11136%0.359CS..THydrogen-bonded Turntrans-108.4-10.5-172.2-62.3-64.3000114.6D107 L111 C115 S118 Y123 H124 H126D107-H121 IonicContact OD2-CE1 2.78Å; D107-H121 PolarHBondContact OD2-CE1 3.19Å; D107-H121 IonicContact OD2-ND1 3.68Å; D107-H121 PolarHBondContact OD2-ND1 3.13Å; L111-H121 HydrophobicContact CD1-CB 3.94Å; C115-H121 PolarHBondContact O-CD2 3.16Å; S118-H121 PolarHBondContact O-N 2.85Å; S118-H121 PolarHBondContact OG-N 2.66Å; H121-Y123 PolarHBondContact O-N 2.98Å; H121-H124 AromaticContact ND1-ND1 3.63Å; H121-H124 WeakPolarHBondContact O-CB 3.31Å; H121-H124 PolarHBondContact O-N 3.46Å; H121-H126 PolarHBondContact O-CE1 3.25Å; H121-H126 PolarHBondContact O-NE2 2.9Å
122R91.3Very high93.4Very high132 Ų13274.5 Ų74.550%0.49836%0.357SS..THydrogen-bonded Turntrans-54.3-23.7-173.262179.4-77.7-177.7-3.4115.6S118S118-R122 WeakPolarHBondContact O-CB 3.08Å; S118-R122 WeakPolarHBondContact O-CG 3.29Å; S118-R122 PolarHBondContact O-N 3.35Å
123Y94Very high93.3Very high178 Ų17875.6 Ų75.670%0.69837%0.367SS*.THydrogen-bonded Turntrans-105.7-2.7179.1-59.1-62.7000113.3H121H121-Y123 PolarHBondContact O-N 2.98Å
124H96.2Very high93.2Very high56 Ų5671.5 Ų71.526%0.25935%0.345SS..SBendtrans-78.5153.7175.4-66.9-178.2000110.5V106 D107 H121 H126V106-H124 HydrophobicContact CB-CB 4.27Å; V106-H124 HydrophobicContact CG2-CB 3.94Å; D107-H124 IonicContact OD1-CE1 2.85Å; D107-H124 PolarHBondContact OD1-CE1 3.49Å; D107-H124 IonicContact OD1-ND1 3.47Å; D107-H124 IonicContact OD2-CE1 3.33Å; D107-H124 PolarHBondContact OD2-CE1 2.9Å; D107-H124 IonicContact OD2-ND1 2.64Å; D107-H124 PolarHBondContact OD2-ND1 3.26Å; H121-H124 AromaticContact ND1-ND1 3.63Å; H121-H124 WeakPolarHBondContact O-CB 3.31Å; H121-H124 PolarHBondContact O-N 3.46Å; H124-H126 PolarHBondContact O-CE1 3.45Å
125R94.9Very high93.2Very high164 Ų16471.2 Ų71.262%0.61934%0.341SS*.  trans-80.4130.7173.8-171.7169.5177-136.36.7109.8E105E105-R125 HydrophobicContact CB-CB 4.41Å; E105-R125 PolarHBondContact N-O 3.12Å; E105-R125 IonicContact OE1-CZ 3.86Å; E105-R125 IonicContact OE1-NE 3.61Å; E105-R125 PolarHBondContact OE1-NE 3.33Å; E105-R125 IonicContact OE1-NH1 3.49Å; E105-R125 PolarHBondContact OE1-NH1 3.48Å; E105-R125 WeakPolarHBondContact OE2-CD 3.36Å; E105-R125 IonicContact OE2-CZ 2.75Å; E105-R125 IonicContact OE2-NE 2.9Å; E105-R125 IonicContact OE2-NH1 3.75Å; E105-R125 PolarHBondContact OE2-NH1 3.46Å
126H95.8Very high93Very high55 Ų5573.4 Ų73.426%0.25535%0.348SS..EExtended strand (participates in β ladder)trans-122.7151.4-178.3-54.1131.2000111.4I102 F103 S116 H121 H124I102-H126 HydrophobicContact CG2-CB 3.7Å; F103-H126 VanDerWaalsContact O-CA 3.31Å; F103-H126 WeakPolarHBondContact O-CA 3.28Å; S116-H126 PolarHBondContact O-CE1 3.47Å; H121-H126 PolarHBondContact O-CE1 3.25Å; H121-H126 PolarHBondContact O-NE2 2.9Å; H124-H126 PolarHBondContact O-CE1 3.45Å
127C94.4Very high92.9Very high23 Ų2377.2 Ų77.216%0.15536%0.361CS..EExtended strand (participates in β ladder)trans-148.116416856.20000110.8F103 A129F103-C127 PolarHBondContact N-O 2.66Å; F103-C127 PolarHBondContact O-N 2.88Å; C127-A129 PolarHBondContact O-N 2.53Å
128P94.7Very high92.9Very high53 Ų5377.9 Ų77.934%0.34436%0.355SS..EExtended strand (participates in β ladder)trans-57.9134.3172.5-2434.6000110.8E130 W131 A132P128-E130 HydrophobicContact CB-CG 4.01Å; P128-E130 PolarHBondContact O-N 3.4Å; P128-E130 VanDerWaalsContact O-N 3.11Å; P128-W131 HydrophobicContact CB-CB 4.47Å; P128-W131 HydrophobicContact CB-CD2 4.49Å; P128-W131 HydrophobicContact CB-CG 4.27Å; P128-W131 HydrophobicContact CG-CD2 4.1Å; P128-W131 HydrophobicContact CG-CE3 4.18Å; P128-W131 HydrophobicContact CG-CG 4.38Å; P128-W131 PolarHBondContact O-N 3Å; P128-A132 PolarHBondContact O-N 3.23Å; P128-A132 VanDerWaalsContact O-N 3.07Å
129A93Very high92.9Very high8 Ų881 Ų817%0.06636%0.364CS..Hα-helixtrans-56.2-32.9-178.400000112.9L86 K101 F103 L110 C127 W131 A133L86-A129 HydrophobicContact CD1-CB 3.83Å; K101-A129 WeakPolarHBondContact O-CB 3.37Å; K101-A129 PolarHBondContact O-N 2.95Å; F103-A129 HydrophobicContact CB-CB 4.44Å; L110-A129 HydrophobicContact CD2-CB 3.57Å; C127-A129 PolarHBondContact O-N 2.53Å; A129-W131 PolarHBondContact O-N 3.08Å; A129-A133 WeakPolarHBondContact O-CB 3.18Å; A129-A133 PolarHBondContact O-N 3.47Å
130E91Very high92.9Very high62 Ų6279.4 Ų79.429%0.2936%0.355SS..Hα-helixtrans-65.1-34174.954.9156.2-115.500114.3K79 L82 P128 E134K79-E130 HydrophobicContact CG-CB 4.34Å; K79-E130 IonicContact NZ-OE1 2.82Å; K79-E130 PolarHBondContact NZ-OE1 3.21Å; L82-E130 HydrophobicContact CD2-CB 4.14Å; P128-E130 HydrophobicContact CB-CG 4.01Å; P128-E130 PolarHBondContact O-N 3.4Å; P128-E130 VanDerWaalsContact O-N 3.11Å; E130-E134 PolarHBondContact O-N 3.23Å
131W90.4Very high92.9Very high152 Ų15273.2 Ų73.258%0.57633%0.327SS*.Hα-helixtrans-77.2-45.3177.8-70.310.4000109.9P128 A129 A133 E134 E135P128-W131 HydrophobicContact CB-CB 4.47Å; P128-W131 HydrophobicContact CB-CD2 4.49Å; P128-W131 HydrophobicContact CB-CG 4.27Å; P128-W131 HydrophobicContact CG-CD2 4.1Å; P128-W131 HydrophobicContact CG-CE3 4.18Å; P128-W131 HydrophobicContact CG-CG 4.38Å; P128-W131 PolarHBondContact O-N 3Å; A129-W131 PolarHBondContact O-N 3.08Å; W131-A133 VanDerWaalsContact C-N 3.28Å; W131-A133 PolarHBondContact O-N 2.91Å; W131-E134 PolarHBondContact O-N 3.48Å; W131-E135 WeakPolarHBondContact O-CB 3.25Å; W131-E135 PolarHBondContact O-N 2.91Å
132A93.7Very high92.8Very high3 Ų379.1 Ų79.13%0.02535%0.353CS..Hα-helixtrans-54.2-46174.800000111.6F103 P128 E134 E135 H136F103-A132 HydrophobicContact CB-CB 3.88Å; F103-A132 HydrophobicContact CD1-CB 3.51Å; F103-A132 HydrophobicContact CE1-CB 4.2Å; F103-A132 HydrophobicContact CG-CB 3.79Å; P128-A132 PolarHBondContact O-N 3.23Å; P128-A132 VanDerWaalsContact O-N 3.07Å; A132-E134 PolarHBondContact O-N 2.78Å; A132-E135 PolarHBondContact O-N 3.01Å; A132-H136 WeakPolarHBondContact O-CB 3.27Å; A132-H136 PolarHBondContact O-CD2 3.46Å; A132-H136 PolarHBondContact O-N 3.45Å
133A91.8Very high92.8Very high25 Ų2580 Ų8021%0.20736%0.36CS..Hα-helixtrans-61.4-44-179.800000112.7L82 A129 W131 R137L82-A133 HydrophobicContact CD2-CB 4.04Å; A129-A133 WeakPolarHBondContact O-CB 3.18Å; A129-A133 PolarHBondContact O-N 3.47Å; W131-A133 VanDerWaalsContact C-N 3.28Å; W131-A133 PolarHBondContact O-N 2.91Å; A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.38Å; A133-R137 PolarHBondContact O-N 3.39Å; A133-R137 VanDerWaalsContact O-N 3.13Å
134E90.7Very high92.6Very high27 Ų2774.2 Ų74.213%0.12634%0.34CS..Hα-helixtrans-72.3-39.6178-67.8-66.310800112S75 R78 E130 W131 A132 H136 R137 E138S75-E134 PolarHBondContact OG-OE2 3.03Å; R78-E134 IonicContact CZ-OE1 3.6Å; R78-E134 IonicContact CZ-OE2 3.69Å; R78-E134 IonicContact NE-OE1 2.86Å; R78-E134 PolarHBondContact NE-OE1 3.29Å; R78-E134 IonicContact NE-OE2 2.79Å; R78-E134 IonicContact NH2-OE1 3.49Å; R78-E134 PolarHBondContact NH2-OE1 3.23Å; R78-E134 IonicContact NH2-OE2 2.91Å; R78-E134 PolarHBondContact NH2-OE2 3.36Å; E130-E134 PolarHBondContact O-N 3.23Å; W131-E134 PolarHBondContact O-N 3.48Å; A132-E134 PolarHBondContact O-N 2.78Å; E134-H136 PolarHBondContact O-N 2.9Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 3.44Å; E134-R137 IonicContact OE1-CZ 3.76Å; E134-R137 IonicContact OE1-NH1 3.9Å; E134-R137 PolarHBondContact OE1-NH1 3.01Å; E134-E138 PolarHBondContact O-N 2.99Å
135E92.6Very high92.1Very high80 Ų8075.3 Ų75.337%0.37435%0.345SS..Hα-helixtrans-62-44.9176.4-171.9-171.2166.700111.5W131 A132 R137 E138 K139W131-E135 WeakPolarHBondContact O-CB 3.25Å; W131-E135 PolarHBondContact O-N 2.91Å; A132-E135 PolarHBondContact O-N 3.01Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 2.94Å; E135-E138 PolarHBondContact O-N 3.36Å; E135-K139 WeakPolarHBondContact O-CG 3.33Å; E135-K139 PolarHBondContact O-N 2.93Å; E135-K139 WeakPolarHBondContact OE1-CE 3.37Å; E135-K139 IonicContact OE1-NZ 3.61Å; E135-K139 PolarHBondContact OE1-NZ 3.13Å
136H91.6Very high91.8Very high71 Ų7170.1 Ų70.133%0.32933%0.334SS..Hα-helixtrans-62.5-40.8175.4-75.1-52.6000111.8F103 A132 E134 E138 K139 L140F103-H136 AromaticContact CE1-NE2 3.67Å; F103-H136 AromaticContact CZ-NE2 3.92Å; A132-H136 WeakPolarHBondContact O-CB 3.27Å; A132-H136 PolarHBondContact O-CD2 3.46Å; A132-H136 PolarHBondContact O-N 3.45Å; E134-H136 PolarHBondContact O-N 2.9Å; H136-E138 PolarHBondContact O-N 2.88Å; H136-K139 PolarHBondContact O-N 3.22Å; H136-L140 WeakPolarHBondContact O-CD1 3.19Å; H136-L140 PolarHBondContact O-N 3.38Å
137R91.4Very high91.4Very high92 Ų9272.7 Ų72.735%0.34735%0.349SS..Hα-helixtrans-59-44.8173.5-77177-177.9111.311.3111.8A133 E134 E135 L140 L141A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.38Å; A133-R137 PolarHBondContact O-N 3.39Å; A133-R137 VanDerWaalsContact O-N 3.13Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 3.44Å; E134-R137 IonicContact OE1-CZ 3.76Å; E134-R137 IonicContact OE1-NH1 3.9Å; E134-R137 PolarHBondContact OE1-NH1 3.01Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 2.94Å; R137-L140 PolarHBondContact O-N 2.9Å; R137-L141 WeakPolarHBondContact O-CB 3.43Å; R137-L141 VanDerWaalsContact O-CG 3.32Å; R137-L141 WeakPolarHBondContact O-CG 3.23Å; R137-L141 PolarHBondContact O-N 2.93Å
138E91.8Very high90.8Very high98 Ų9873.2 Ų73.246%0.45835%0.348SS..Hα-helixtrans-64.1-41177.1-72.1-168.2165.200112.6E134 E135 H136 L140 L141 K142E134-E138 PolarHBondContact O-N 2.99Å; E135-E138 PolarHBondContact O-N 3.36Å; H136-E138 PolarHBondContact O-N 2.88Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 2.76Å; E138-L141 PolarHBondContact O-N 3.46Å; E138-K142 WeakPolarHBondContact O-CG 3.1Å; E138-K142 PolarHBondContact O-N 3.19Å
139K94.1Very high90.2Very high101 Ų10175.7 Ų75.744%0.43936%0.355SS..Hα-helixtrans-60.9-43.1174.4-73.9175.2-1771670111.6E135 H136 K143E135-K139 WeakPolarHBondContact O-CG 3.33Å; E135-K139 PolarHBondContact O-N 2.93Å; E135-K139 WeakPolarHBondContact OE1-CE 3.37Å; E135-K139 IonicContact OE1-NZ 3.61Å; E135-K139 PolarHBondContact OE1-NZ 3.13Å; H136-K139 PolarHBondContact O-N 3.22Å; K139-K143 PolarHBondContact O-N 3.12Å
140L92.1Very high89.8Confident108 Ų10881.5 Ų81.557%0.56538%0.379SS*.Hα-helixtrans-64.1-44.5175.7-93.978.3000111.5H136 R137 E138 K142 K143 M144H136-L140 WeakPolarHBondContact O-CD1 3.19Å; H136-L140 PolarHBondContact O-N 3.38Å; R137-L140 PolarHBondContact O-N 2.9Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 2.76Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.97Å; L140-K143 PolarHBondContact O-N 2.91Å; L140-K143 VanDerWaalsContact O-N 3.15Å; L140-M144 WeakPolarHBondContact O-CG 3.18Å; L140-M144 PolarHBondContact O-N 3.4Å
141L91.3Very high89.3Confident25 Ų2581.9 Ų81.913%0.13139%0.385CS..Hα-helixtrans-57.7-44.4178.4-78.1169000112.5I23 D24 P37 R137 E138 K143 M144 Q145I23-L141 HydrophobicContact CG2-CD1 3.77Å; I23-L141 HydrophobicContact CG2-CD2 3.82Å; I23-L141 HydrophobicContact CG2-CG 4.03Å; D24-L141 HydrophobicContact CB-CD1 3.9Å; D24-L141 HydrophobicContact CB-CD2 4.22Å; P37-L141 HydrophobicContact CG-CD2 3.43Å; P37-L141 VanDerWaalsContact CG-CD2 3.43Å; R137-L141 WeakPolarHBondContact O-CB 3.43Å; R137-L141 VanDerWaalsContact O-CG 3.32Å; R137-L141 WeakPolarHBondContact O-CG 3.23Å; R137-L141 PolarHBondContact O-N 2.93Å; E138-L141 PolarHBondContact O-N 3.46Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.37Å; L141-M144 PolarHBondContact O-N 3.38Å; L141-Q145 WeakPolarHBondContact O-CB 3.23Å; L141-Q145 PolarHBondContact O-N 3.4Å
142K91.8Very high88.6Confident149 Ų14975.5 Ų75.565%0.64836%0.363SS*.Hα-helixtrans-59.9-43.7176.3-72.7177.4-179.2178.20111.9E138 L140 Q145 S146E138-K142 WeakPolarHBondContact O-CG 3.1Å; E138-K142 PolarHBondContact O-N 3.19Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.97Å; K142-Q145 PolarHBondContact O-N 3.35Å; K142-S146 PolarHBondContact O-N 3.32Å; K142-S146 VanDerWaalsContact O-N 3.14Å
143K92.8Very high88Confident151 Ų15179.2 Ų79.266%0.65738%0.38SS*.Hα-helixtrans-63.9-44.9176.3-70.8-177.5177.7-173.40111.8K139 L140 L141 Q145 S146 L147K139-K143 PolarHBondContact O-N 3.12Å; L140-K143 PolarHBondContact O-N 2.91Å; L140-K143 VanDerWaalsContact O-N 3.15Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.37Å; K143-Q145 VanDerWaalsContact C-N 3.35Å; K143-Q145 PolarHBondContact O-N 2.86Å; K143-S146 PolarHBondContact O-N 3.4Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.49Å
144M88.6Confident87.3Confident55 Ų5583.1 Ų83.127%0.27140%0.398SS..Hα-helixtrans-61.7-42.1177.8-71-175.57300112P37 Y40 L41 L140 L141 L147 W148P37-M144 HydrophobicContact CB-CE 3.71Å; P37-M144 HydrophobicContact CB-SD 4.13Å; P37-M144 HydrophobicContact CG-CE 4.35Å; P37-M144 HydrophobicContact CG-SD 4.21Å; Y40-M144 HydrophobicContact CD2-CB 4.35Å; L41-M144 HydrophobicContact CD1-CE 4.49Å; L41-M144 HydrophobicContact CG-CE 4.48Å; L140-M144 WeakPolarHBondContact O-CG 3.18Å; L140-M144 PolarHBondContact O-N 3.4Å; L141-M144 PolarHBondContact O-N 3.38Å; M144-L147 PolarHBondContact O-N 3.15Å; M144-W148 WeakPolarHBondContact O-CB 3.41Å; M144-W148 PolarHBondContact O-N 3.22Å
145Q86.3Confident86.6Confident80 Ų8085.1 Ų85.137%0.37441%0.407SS..Hα-helixtrans-59.6-48.1175.9178177.6-6.300111.4Y40 L141 K142 K143 L147 W148 E149Y40-Q145 HydrophobicContact CE2-CB 4.29Å; L141-Q145 WeakPolarHBondContact O-CB 3.23Å; L141-Q145 PolarHBondContact O-N 3.4Å; K142-Q145 PolarHBondContact O-N 3.35Å; K143-Q145 VanDerWaalsContact C-N 3.35Å; K143-Q145 PolarHBondContact O-N 2.86Å; Q145-L147 VanDerWaalsContact C-N 3.32Å; Q145-L147 PolarHBondContact O-N 2.89Å; Q145-W148 PolarHBondContact O-N 2.88Å; Q145-E149 WeakPolarHBondContact CG-OE1 3.45Å; Q145-E149 PolarHBondContact NE2-OE1 3.49Å; Q145-E149 WeakPolarHBondContact O-CG 3.43Å; Q145-E149 PolarHBondContact O-N 3.4Å
146S88.6Confident85.7Confident54 Ų5488.1 Ų88.138%0.37842%0.415SS..Hα-helixtrans-61.1-40.1178179.50000112.4K142 K143 K150K142-S146 PolarHBondContact O-N 3.32Å; K142-S146 VanDerWaalsContact O-N 3.14Å; K143-S146 PolarHBondContact O-N 3.4Å; S146-K150 WeakPolarHBondContact O-CG 3.22Å; S146-K150 PolarHBondContact O-N 3.27Å
147L86.7Confident84.8Confident110 Ų11088.5 Ų88.558%0.57642%0.419SS*.Hα-helixtrans-65.2-42.1175.2-71.9172.8000111.8K143 M144 Q145 E149 K150 V151K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.49Å; M144-L147 PolarHBondContact O-N 3.15Å; Q145-L147 VanDerWaalsContact C-N 3.32Å; Q145-L147 PolarHBondContact O-N 2.89Å; L147-E149 PolarHBondContact O-N 3.48Å; L147-K150 WeakPolarHBondContact O-CB 3.2Å; L147-K150 PolarHBondContact O-N 3.43Å; L147-V151 WeakPolarHBondContact O-CG2 3.41Å; L147-V151 PolarHBondContact O-N 3.31Å
148W82.4Confident83.9Confident33 Ų3388.7 Ų88.713%0.12543%0.427CS..Hα-helixtrans-62.4-41.2177.6-179.9-105.9000112.6Y40 Q44 I46 M144 Q145 K150 V151 C152Y40-W148 HydrophobicContact CD1-CB 3.99Å; Y40-W148 AromaticContact CD1-CD1 3.47Å; Y40-W148 VanDerWaalsContact CD1-CD1 3.47Å; Y40-W148 AromaticContact CD1-CD2 3.55Å; Y40-W148 HydrophobicContact CD1-CD2 3.55Å; Y40-W148 AromaticContact CD1-CE2 3.72Å; Y40-W148 HydrophobicContact CD1-CE3 4.3Å; Y40-W148 AromaticContact CD1-CG 3.36Å; Y40-W148 HydrophobicContact CD1-CG 3.36Å; Y40-W148 AromaticContact CD1-NE1 3.64Å; Y40-W148 HydrophobicContact CD2-CB 4.19Å; Y40-W148 HydrophobicContact CD2-CG 4.43Å; Y40-W148 HydrophobicContact CE1-CB 4.12Å; Y40-W148 AromaticContact CE1-CD1 3.28Å; Y40-W148 HydrophobicContact CE1-CD2 4.2Å; Y40-W148 AromaticContact CE1-CG 3.58Å; Y40-W148 HydrophobicContact CE1-CG 3.58Å; Y40-W148 AromaticContact CE1-NE1 3.68Å; Y40-W148 HydrophobicContact CE2-CB 4.32Å; Y40-W148 HydrophobicContact CG-CB 4.01Å; Y40-W148 AromaticContact CG-CD2 4Å; Y40-W148 HydrophobicContact CG-CD2 4Å; Y40-W148 HydrophobicContact CG-CE3 4.39Å; Y40-W148 AromaticContact CG-CG 3.82Å; Y40-W148 HydrophobicContact CG-CG 3.82Å; Y40-W148 WeakPolarHBondContact O-CZ3 3.24Å; Q44-W148 HydrophobicContact CG-CZ3 4.39Å; I46-W148 HydrophobicContact CD1-CZ2 4.14Å; M144-W148 WeakPolarHBondContact O-CB 3.41Å; M144-W148 PolarHBondContact O-N 3.22Å; Q145-W148 PolarHBondContact O-N 2.88Å; W148-K150 VanDerWaalsContact C-N 3.31Å; W148-K150 PolarHBondContact O-N 3.06Å; W148-V151 HydrophobicContact CZ3-CG1 4.46Å; W148-V151 PolarHBondContact O-N 3.43Å; W148-C152 PolarHBondContact NE1-SG 3.23Å; W148-C152 PolarHBondContact O-N 3.04Å; W148-C152 PolarHBondContact O-SG 3.3Å
149E82.8Confident82.8Confident105 Ų10587.5 Ų87.549%0.49142%0.424SS..Hα-helixtrans-60-41.6175-73.5165.5-17300111.3Q145 L147 C152 E153Q145-E149 WeakPolarHBondContact CG-OE1 3.45Å; Q145-E149 PolarHBondContact NE2-OE1 3.49Å; Q145-E149 WeakPolarHBondContact O-CG 3.43Å; Q145-E149 PolarHBondContact O-N 3.4Å; L147-E149 PolarHBondContact O-N 3.48Å; E149-C152 PolarHBondContact O-N 2.97Å; E149-E153 PolarHBondContact O-N 3.03Å
150K84.2Confident81.6Confident130 Ų13087 Ų8757%0.56543%0.429SS*.Hα-helixtrans-65.2-41.2174.2-70.2179.6178.7-1750112.8S146 L147 W148 E153 N154S146-K150 WeakPolarHBondContact O-CG 3.22Å; S146-K150 PolarHBondContact O-N 3.27Å; L147-K150 WeakPolarHBondContact O-CB 3.2Å; L147-K150 PolarHBondContact O-N 3.43Å; W148-K150 VanDerWaalsContact C-N 3.31Å; W148-K150 PolarHBondContact O-N 3.06Å; K150-E153 PolarHBondContact O-N 3.1Å; K150-N154 WeakPolarHBondContact O-CB 3.5Å; K150-N154 VanDerWaalsContact O-CG 3.26Å; K150-N154 PolarHBondContact O-N 3.47Å
151V80.5Confident80.5Confident70 Ų7084.9 Ų84.942%0.42442%0.416SS..Hα-helixtrans-61.4-46175.5170.40000110.6L147 W148 E153 N154 Q155L147-V151 WeakPolarHBondContact O-CG2 3.41Å; L147-V151 PolarHBondContact O-N 3.31Å; W148-V151 HydrophobicContact CZ3-CG1 4.46Å; W148-V151 PolarHBondContact O-N 3.43Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 3.35Å; V151-N154 PolarHBondContact O-N 3.05Å; V151-Q155 PolarHBondContact O-N 2.75Å
152C76Confident79.4Confident18 Ų1887.5 Ų87.512%0.12243%0.433CS..Hα-helixtrans-57.9-43.6175.7-68.70000112.1W148 E149 Q155 R156W148-C152 PolarHBondContact NE1-SG 3.23Å; W148-C152 PolarHBondContact O-N 3.04Å; W148-C152 PolarHBondContact O-SG 3.3Å; E149-C152 PolarHBondContact O-N 2.97Å; C152-Q155 PolarHBondContact O-N 3.02Å; C152-R156 WeakPolarHBondContact O-CG 3.36Å; C152-R156 PolarHBondContact O-N 3.01Å; C152-R156 VanDerWaalsContact O-N 3.13Å
153E80.4Confident78.2Confident82 Ų8283.8 Ų83.838%0.38342%0.423SS..Hα-helixtrans-67.5-45.2179.8-172.457.3-16000112.3E149 K150 V151 Q155 R156 N157E149-E153 PolarHBondContact O-N 3.03Å; K150-E153 PolarHBondContact O-N 3.1Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 3.35Å; E153-Q155 VanDerWaalsContact C-N 3.26Å; E153-Q155 PolarHBondContact O-N 2.68Å; E153-R156 WeakPolarHBondContact O-CB 3.14Å; E153-R156 PolarHBondContact O-N 2.97Å; E153-R156 VanDerWaalsContact O-N 3.12Å; E153-R156 IonicContact OE2-CZ 2.74Å; E153-R156 IonicContact OE2-NH1 3.25Å; E153-R156 PolarHBondContact OE2-NH1 2.75Å; E153-N157 PolarHBondContact O-N 2.75Å; E153-N157 PolarHBondContact O-ND2 2.87Å
154N77.9Confident76.9Confident107 Ų10780 Ų8057%0.57241%0.405SS*.Hα-helixtrans-58.8-39.2175.1-72.7-9000111.7K150 V151 N157 L158K150-N154 WeakPolarHBondContact O-CB 3.5Å; K150-N154 VanDerWaalsContact O-CG 3.26Å; K150-N154 PolarHBondContact O-N 3.47Å; V151-N154 PolarHBondContact O-N 3.05Å; N154-N157 PolarHBondContact O-N 3.13Å; N154-L158 WeakPolarHBondContact O-CB 3.32Å; N154-L158 PolarHBondContact O-N 3.04Å
155Q75.5Confident75.9Confident69 Ų6981.6 Ų81.632%0.32241%0.413SS..Hα-helixtrans-65-40.5176.2-171.261.246.500112.3V151 C152 E153 N157 L158 N159V151-Q155 PolarHBondContact O-N 2.75Å; C152-Q155 PolarHBondContact O-N 3.02Å; E153-Q155 VanDerWaalsContact C-N 3.26Å; E153-Q155 PolarHBondContact O-N 2.68Å; Q155-N157 VanDerWaalsContact C-N 3.35Å; Q155-L158 PolarHBondContact O-N 3.1Å; Q155-N159 PolarHBondContact NE2-OD1 3.13Å; Q155-N159 VanDerWaalsContact NE2-OD1 3.11Å; Q155-N159 VanDerWaalsContact O-CG 3.22Å; Q155-N159 PolarHBondContact O-N 3.39Å; Q155-N159 PolarHBondContact O-OD1 3.43Å
156R73.6Confident75Confident142 Ų14279.7 Ų79.754%0.53641%0.409SS..Hα-helixtrans-61.5-45.8174.5-69.1176.9-161.1121.14.8111C152 E153 N159 V160C152-R156 WeakPolarHBondContact O-CG 3.36Å; C152-R156 PolarHBondContact O-N 3.01Å; C152-R156 VanDerWaalsContact O-N 3.13Å; E153-R156 WeakPolarHBondContact O-CB 3.14Å; E153-R156 PolarHBondContact O-N 2.97Å; E153-R156 VanDerWaalsContact O-N 3.12Å; E153-R156 IonicContact OE2-CZ 2.74Å; E153-R156 IonicContact OE2-NH1 3.25Å; E153-R156 PolarHBondContact OE2-NH1 2.75Å; R156-N159 PolarHBondContact O-N 3.25Å; R156-V160 WeakPolarHBondContact O-CG2 3.43Å; R156-V160 PolarHBondContact O-N 3.33Å
157N72.5Confident74Confident79 Ų7978.1 Ų78.142%0.42240%0.396SS..Hα-helixtrans-61.6-44.8177.7-68.3-24.8000111.2E153 N154 Q155 N159 V160 E161E153-N157 PolarHBondContact O-N 2.75Å; E153-N157 PolarHBondContact O-ND2 2.87Å; N154-N157 PolarHBondContact O-N 3.13Å; Q155-N157 VanDerWaalsContact C-N 3.35Å; N157-N159 VanDerWaalsContact C-N 3.33Å; N157-N159 PolarHBondContact O-N 3.32Å; N157-V160 PolarHBondContact O-N 3.01Å; N157-E161 WeakPolarHBondContact O-CG 3.42Å; N157-E161 PolarHBondContact O-N 2.64Å
158L72.8Confident73.1Confident97 Ų9777.6 Ų77.651%0.50839%0.386SS..Hα-helixtrans-60-41.7175.6-176.762.8000112.2N154 Q155 E161 T162N154-L158 WeakPolarHBondContact O-CB 3.32Å; N154-L158 PolarHBondContact O-N 3.04Å; Q155-L158 PolarHBondContact O-N 3.1Å; L158-E161 PolarHBondContact O-N 3.02Å; L158-T162 WeakPolarHBondContact O-CB 3.23Å; L158-T162 PolarHBondContact O-N 3.49Å; L158-T162 PolarHBondContact O-OG1 2.85Å
159N68.4Low72.5Confident73 Ų7381.9 Ų81.939%0.3941%0.406SS..Hα-helixtrans-64.5-40.6177.4-70.8-12.8000111.9Q155 R156 N157 T163Q155-N159 PolarHBondContact NE2-OD1 3.13Å; Q155-N159 VanDerWaalsContact NE2-OD1 3.11Å; Q155-N159 VanDerWaalsContact O-CG 3.22Å; Q155-N159 PolarHBondContact O-N 3.39Å; Q155-N159 PolarHBondContact O-OD1 3.43Å; R156-N159 PolarHBondContact O-N 3.25Å; N157-N159 VanDerWaalsContact C-N 3.33Å; N157-N159 PolarHBondContact O-N 3.32Å; N159-T163 WeakPolarHBondContact O-CB 3.15Å; N159-T163 PolarHBondContact O-N 3.4Å; N159-T163 PolarHBondContact O-OG1 3.48Å
160V69.1Low71.9Confident91 Ų9177 Ų7755%0.55238%0.384SS*.Hα-helixtrans-62.4-48.3174.7171.50000110.5R156 N157 T163 R164R156-V160 WeakPolarHBondContact O-CG2 3.43Å; R156-V160 PolarHBondContact O-N 3.33Å; N157-V160 PolarHBondContact O-N 3.01Å; V160-T163 WeakPolarHBondContact O-CB 3.45Å; V160-T163 PolarHBondContact O-N 3.32Å; V160-R164 WeakPolarHBondContact O-CB 3.34Å; V160-R164 PolarHBondContact O-N 2.95Å
161E68.8Low71.2Confident63 Ų6371 Ų7129%0.29436%0.357SS..Hα-helixtrans-64-42178.9-71.4-57.414700112.9N157 L158 T163 R164 I165N157-E161 WeakPolarHBondContact O-CG 3.42Å; N157-E161 PolarHBondContact O-N 2.64Å; L158-E161 PolarHBondContact O-N 3.02Å; E161-T163 VanDerWaalsContact C-N 3.32Å; E161-T163 PolarHBondContact O-N 3.32Å; E161-R164 VanDerWaalsContact CD-NH2 3.31Å; E161-R164 VanDerWaalsContact O-CB 3.31Å; E161-R164 WeakPolarHBondContact O-CB 3.45Å; E161-R164 PolarHBondContact O-N 3.23Å; E161-R164 VanDerWaalsContact O-N 3.15Å; E161-R164 IonicContact OE1-CZ 3.66Å; E161-R164 IonicContact OE1-NE 2.66Å; E161-R164 IonicContact OE1-NH2 3.14Å; E161-R164 PolarHBondContact OE1-NH2 2.97Å; E161-R164 IonicContact OE2-CZ 3.45Å; E161-R164 IonicContact OE2-NE 3.52Å; E161-R164 PolarHBondContact OE2-NE 3.44Å; E161-R164 IonicContact OE2-NH2 3.3Å; E161-R164 PolarHBondContact OE2-NH2 2.72Å; E161-I165 WeakPolarHBondContact O-CG1 3.08Å; E161-I165 PolarHBondContact O-N 2.84Å
162T68.9Low70.7Confident80 Ų8068.3 Ų68.349%0.49134%0.344SS..Hα-helixtrans-61.6-43.4176.1-54.90000111.1L158 R164 I165 S166L158-T162 WeakPolarHBondContact O-CB 3.23Å; L158-T162 PolarHBondContact O-N 3.49Å; L158-T162 PolarHBondContact O-OG1 2.85Å; T162-R164 VanDerWaalsContact C-N 3.31Å; T162-R164 PolarHBondContact O-N 3.3Å; T162-I165 PolarHBondContact O-N 3.29Å; T162-S166 PolarHBondContact O-N 3.49Å
163T66.2Low70.6Confident71 Ų7171 Ų7144%0.43636%0.357SS..Hα-helixtrans-60.9-44174.7-57.50000110.4N159 V160 E161 I165 S166 H167N159-T163 WeakPolarHBondContact O-CB 3.15Å; N159-T163 PolarHBondContact O-N 3.4Å; N159-T163 PolarHBondContact O-OG1 3.48Å; V160-T163 WeakPolarHBondContact O-CB 3.45Å; V160-T163 PolarHBondContact O-N 3.32Å; E161-T163 VanDerWaalsContact C-N 3.32Å; E161-T163 PolarHBondContact O-N 3.32Å; T163-I165 PolarHBondContact O-N 2.94Å; T163-S166 PolarHBondContact O-N 3.32Å; T163-S166 PolarHBondContact O-OG 3.48Å; T163-H167 WeakPolarHBondContact CG2-CE1 3.27Å; T163-H167 WeakPolarHBondContact CG2-NE2 3.46Å; T163-H167 PolarHBondContact O-CD2 3.23Å; T163-H167 PolarHBondContact O-N 3.27Å
164R65.8Low70.2Confident71 Ų7168 Ų6827%0.26834%0.343SS..Hα-helixtrans-58.6-48.5177.2-162.5169.867.6149.4-3.5112.5V160 E161 T162 S166 H167 W168 N217 E218 W254V160-R164 WeakPolarHBondContact O-CB 3.34Å; V160-R164 PolarHBondContact O-N 2.95Å; E161-R164 VanDerWaalsContact CD-NH2 3.31Å; E161-R164 VanDerWaalsContact O-CB 3.31Å; E161-R164 WeakPolarHBondContact O-CB 3.45Å; E161-R164 PolarHBondContact O-N 3.23Å; E161-R164 VanDerWaalsContact O-N 3.15Å; E161-R164 IonicContact OE1-CZ 3.66Å; E161-R164 IonicContact OE1-NE 2.66Å; E161-R164 IonicContact OE1-NH2 3.14Å; E161-R164 PolarHBondContact OE1-NH2 2.97Å; E161-R164 IonicContact OE2-CZ 3.45Å; E161-R164 IonicContact OE2-NE 3.52Å; E161-R164 PolarHBondContact OE2-NE 3.44Å; E161-R164 IonicContact OE2-NH2 3.3Å; E161-R164 PolarHBondContact OE2-NH2 2.72Å; T162-R164 VanDerWaalsContact C-N 3.31Å; T162-R164 PolarHBondContact O-N 3.3Å; R164-S166 VanDerWaalsContact C-N 3.32Å; R164-S166 PolarHBondContact O-N 3.05Å; R164-H167 PolarHBondContact O-N 3.15Å; R164-W168 PolarHBondContact O-N 3.47Å; R164-N217 PolarHBondContact NH1-O 3.4Å; R164-E218 IonicContact NH1-OE2 3.13Å; R164-E218 PolarHBondContact NH1-OE2 3.46Å; R164-W254 HydrophobicContact CB-CH2 4.43Å; R164-W254 HydrophobicContact CG-CE3 4.3Å; R164-W254 HydrophobicContact CG-CH2 3.42Å; R164-W254 VanDerWaalsContact CG-CH2 3.42Å; R164-W254 HydrophobicContact CG-CZ3 3.29Å
165I67.6Low69.8Low88 Ų8863.3 Ų63.345%0.45132%0.318SS..Hα-helixtrans-61.6-40.6177.5-68.1165.9000111E161 T162 T163 H167 W168 K169E161-I165 WeakPolarHBondContact O-CG1 3.08Å; E161-I165 PolarHBondContact O-N 2.84Å; T162-I165 PolarHBondContact O-N 3.29Å; T163-I165 PolarHBondContact O-N 2.94Å; I165-H167 PolarHBondContact O-N 3.14Å; I165-W168 PolarHBondContact O-N 3.38Å; I165-K169 HydrophobicContact CG2-CD 4.49Å; I165-K169 WeakPolarHBondContact O-CG 3.37Å; I165-K169 PolarHBondContact O-N 3.29Å
166S67.1Low69.5Low41 Ų4165.1 Ų65.129%0.28733%0.327SS..Hα-helixtrans-63.5-40.9178.2760000112.2T162 T163 R164 A170T162-S166 PolarHBondContact O-N 3.49Å; T163-S166 PolarHBondContact O-N 3.32Å; T163-S166 PolarHBondContact O-OG 3.48Å; R164-S166 VanDerWaalsContact C-N 3.32Å; R164-S166 PolarHBondContact O-N 3.05Å; S166-A170 WeakPolarHBondContact O-CB 3.37Å; S166-A170 PolarHBondContact O-N 3.45Å; S166-A170 VanDerWaalsContact O-N 3.1Å
167H67.8Low69.4Low20 Ų2063.6 Ų63.69%0.09332%0.321CS..Hα-helixtrans-67.6-38.5176.2-61.5170.5000111.6T163 R164 I165 A170 F171 W254 W285T163-H167 WeakPolarHBondContact CG2-CE1 3.27Å; T163-H167 WeakPolarHBondContact CG2-NE2 3.46Å; T163-H167 PolarHBondContact O-CD2 3.23Å; T163-H167 PolarHBondContact O-N 3.27Å; R164-H167 PolarHBondContact O-N 3.15Å; I165-H167 PolarHBondContact O-N 3.14Å; H167-A170 PolarHBondContact O-N 2.9Å; H167-F171 WeakPolarHBondContact O-CB 3.21Å; H167-F171 PolarHBondContact O-N 2.88Å; H167-W254 HydrophobicContact CB-CH2 4.22Å; H167-W254 HydrophobicContact CB-CZ2 3.73Å; H167-W285 PolarHBondContact CD2-O 3.29Å; H167-W285 PolarHBondContact CE1-O 2.94Å; H167-W285 PolarHBondContact NE2-O 3.5Å
168W67.6Low69.3Low100 Ų10060 Ų6038%0.37930%0.302SS..Hα-helixtrans-59.6-48.9175.517886.1000112.2R164 I165 F171 G172 S250 L252R164-W168 PolarHBondContact O-N 3.47Å; I165-W168 PolarHBondContact O-N 3.38Å; W168-F171 PolarHBondContact O-N 2.9Å; W168-G172 PolarHBondContact O-N 3.23Å; W168-S250 VanDerWaalsContact CZ2-O 3.23Å; W168-S250 WeakPolarHBondContact CZ2-O 3.34Å; W168-S250 WeakPolarHBondContact CZ2-OG 3.36Å; W168-S250 PolarHBondContact NE1-O 3.37Å; W168-S250 PolarHBondContact NE1-OG 2.85Å; W168-L252 HydrophobicContact CB-CD2 4.09Å; W168-L252 VanDerWaalsContact CD1-CB 3.5Å; W168-L252 HydrophobicContact CG-CB 4.4Å
169K69.4Low69.2Low122 Ų12256.9 Ų56.953%0.5329%0.285SS..Hα-helixtrans-60.5-49.6176.9-69.8-175.6178.4-177.40111.7I165 F171 G172 D173I165-K169 HydrophobicContact CG2-CD 4.49Å; I165-K169 WeakPolarHBondContact O-CG 3.37Å; I165-K169 PolarHBondContact O-N 3.29Å; K169-F171 VanDerWaalsContact C-N 3.33Å; K169-F171 PolarHBondContact O-N 2.97Å; K169-G172 PolarHBondContact O-N 3.23Å; K169-D173 VanDerWaalsContact O-CG 3.26Å; K169-D173 PolarHBondContact O-N 3.19Å
170A69.9Low69.4Low4 Ų455.6 Ų55.63%0.03328%0.281CS..Hα-helixtrans-61.2-41-178.600000113S166 H167 D173 I174 G287 T288S166-A170 WeakPolarHBondContact O-CB 3.37Å; S166-A170 PolarHBondContact O-N 3.45Å; S166-A170 VanDerWaalsContact O-N 3.1Å; H167-A170 PolarHBondContact O-N 2.9Å; A170-D173 PolarHBondContact O-N 3.11Å; A170-I174 WeakPolarHBondContact O-CG1 3.27Å; A170-I174 PolarHBondContact O-N 3.05Å; A170-G287 VanDerWaalsContact CB-C 3.5Å; A170-G287 VanDerWaalsContact CB-CA 3.45Å; A170-T288 HydrophobicContact CB-CG2 4.17Å
171F69.1Low69.3Low3 Ų354.6 Ų54.61%0.01328%0.275CS..Hα-helixtrans-69.3-38.6178.7-161.4-79.8000111.9H167 W168 K169 I174 L175 L252 A277 L300 I369 C371H167-F171 WeakPolarHBondContact O-CB 3.21Å; H167-F171 PolarHBondContact O-N 2.88Å; W168-F171 PolarHBondContact O-N 2.9Å; K169-F171 VanDerWaalsContact C-N 3.33Å; K169-F171 PolarHBondContact O-N 2.97Å; F171-I174 PolarHBondContact O-N 3.43Å; F171-L175 HydrophobicContact CD1-CD1 3.93Å; F171-L175 HydrophobicContact CD1-CG 4.34Å; F171-L175 HydrophobicContact CE1-CD1 3.79Å; F171-L175 HydrophobicContact CE1-CG 4.12Å; F171-L175 PolarHBondContact O-N 3Å; F171-L175 VanDerWaalsContact O-N 3.13Å; F171-L252 HydrophobicContact CB-CD1 4.31Å; F171-L252 HydrophobicContact CD1-CD1 4.07Å; F171-L252 HydrophobicContact CD2-CD1 4.49Å; F171-L252 HydrophobicContact CG-CD1 4.02Å; F171-A277 HydrophobicContact CE1-CB 3.8Å; F171-A277 HydrophobicContact CZ-CB 3.7Å; F171-L300 HydrophobicContact CD2-CD1 4.38Å; F171-L300 HydrophobicContact CD2-CD2 3.68Å; F171-L300 HydrophobicContact CE2-CD1 3.81Å; F171-L300 HydrophobicContact CE2-CD2 3.48Å; F171-L300 VanDerWaalsContact CE2-CD2 3.48Å; F171-L300 HydrophobicContact CE2-CG 4.24Å; F171-I369 HydrophobicContact CD2-CD1 3.97Å; F171-I369 HydrophobicContact CE2-CD1 4.16Å; F171-C371 HydrophobicContact CD1-CB 3.48Å; F171-C371 VanDerWaalsContact CD1-CB 3.48Å; F171-C371 VanDerWaalsContact CD1-SG 3.54Å; F171-C371 HydrophobicContact CE1-CB 3.16Å; F171-C371 HydrophobicContact CZ-CB 4.04Å
172G70.2Confident69.2Low14 Ų1452.8 Ų52.814%0.14427%0.268CS..Hα-helixtrans-60.7-43.4171.400000112.6W168 K169 I174 L175 H176W168-G172 PolarHBondContact O-N 3.23Å; K169-G172 PolarHBondContact O-N 3.23Å; G172-I174 VanDerWaalsContact C-N 3.33Å; G172-I174 PolarHBondContact O-N 2.91Å; G172-L175 PolarHBondContact O-N 2.99Å; G172-H176 PolarHBondContact O-N 3.46Å
173D73.4Confident69Low75 Ų7554 Ų5440%0.40127%0.27SS..Hα-helixtrans-62.4-39.3176.7-68-18.4000111.9K169 A170 L175 H176 R177K169-D173 VanDerWaalsContact O-CG 3.26Å; K169-D173 PolarHBondContact O-N 3.19Å; A170-D173 PolarHBondContact O-N 3.11Å; D173-L175 VanDerWaalsContact C-N 3.35Å; D173-H176 PolarHBondContact O-N 3.49Å; D173-R177 WeakPolarHBondContact O-CB 3.2Å; D173-R177 WeakPolarHBondContact O-CG 2.97Å; D173-R177 PolarHBondContact O-N 2.96Å
174I71.9Confident68.9Low17 Ų1758.3 Ų58.39%0.08729%0.285CS..Hα-helixtrans-60.1-46.6174.5-70.3166.3000110.1A170 F171 G172 S178 W285 L300 T317A170-I174 WeakPolarHBondContact O-CG1 3.27Å; A170-I174 PolarHBondContact O-N 3.05Å; F171-I174 PolarHBondContact O-N 3.43Å; G172-I174 VanDerWaalsContact C-N 3.33Å; G172-I174 PolarHBondContact O-N 2.91Å; I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 2.69Å; I174-S178 PolarHBondContact O-OG 3.4Å; I174-W285 HydrophobicContact CD1-CZ2 4.43Å; I174-L300 HydrophobicContact CD1-CD2 4.03Å; I174-T317 HydrophobicContact CG2-CG2 4.28Å
175L69.4Low68.6Low9 Ų959.7 Ų59.75%0.04730%0.296CS..Hα-helixtrans-62.4-47.4178.6-76.5170000112F171 G172 D173 R177 S178 E179 A277 F315 C371 V373F171-L175 HydrophobicContact CD1-CD1 3.93Å; F171-L175 HydrophobicContact CD1-CG 4.34Å; F171-L175 HydrophobicContact CE1-CD1 3.79Å; F171-L175 HydrophobicContact CE1-CG 4.12Å; F171-L175 PolarHBondContact O-N 3Å; F171-L175 VanDerWaalsContact O-N 3.13Å; G172-L175 PolarHBondContact O-N 2.99Å; D173-L175 VanDerWaalsContact C-N 3.35Å; L175-R177 PolarHBondContact O-N 2.78Å; L175-S178 WeakPolarHBondContact O-CB 2.9Å; L175-S178 PolarHBondContact O-N 3Å; L175-E179 PolarHBondContact O-N 3.33Å; L175-A277 HydrophobicContact CD2-CB 3.88Å; L175-F315 HydrophobicContact CD2-CE1 4.06Å; L175-F315 HydrophobicContact CD2-CZ 3.61Å; L175-C371 HydrophobicContact CD1-CB 4.28Å; L175-C371 VanDerWaalsContact CD1-SG 3.57Å; L175-V373 HydrophobicContact CD1-CG2 3.49Å; L175-V373 VanDerWaalsContact CD1-CG2 3.49Å
176H70.7Confident68.2Low108 Ų10860.6 Ų60.650%0.531%0.308SS..Hα-helixtrans-64.4-40.5179.8-177.5-75000112.6G172 D173 E179 S180G172-H176 PolarHBondContact O-N 3.46Å; D173-H176 PolarHBondContact O-N 3.49Å; H176-E179 WeakPolarHBondContact O-CB 3.49Å; H176-E179 PolarHBondContact O-N 3.14Å; H176-S180 PolarHBondContact O-N 3.25Å; H176-S180 PolarHBondContact O-OG 3.13Å
177R71.3Confident67.6Low110 Ų11067.3 Ų67.342%0.41533%0.334SS..Hα-helixtrans-66.2-41.2174.6-74.8-177.2-168.4143.18.5111.7D173 L175 E179 S180 V181 I294D173-R177 WeakPolarHBondContact O-CB 3.2Å; D173-R177 WeakPolarHBondContact O-CG 2.97Å; D173-R177 PolarHBondContact O-N 2.96Å; L175-R177 PolarHBondContact O-N 2.78Å; R177-E179 VanDerWaalsContact C-N 3.29Å; R177-E179 PolarHBondContact O-N 3.04Å; R177-S180 PolarHBondContact O-N 3.34Å; R177-V181 WeakPolarHBondContact O-CG2 3.01Å; R177-V181 PolarHBondContact O-N 2.85Å; R177-I294 VanDerWaalsContact CZ-CD1 3.43Å; R177-I294 VanDerWaalsContact NH2-CD1 3.33Å
178S70.8Confident67Low2 Ų269.2 Ų69.21%0.01435%0.349CS..Hα-helixtrans-58.3-46.5176.7-570000109.9I174 L175 S180 V181 L182 L320I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 2.69Å; I174-S178 PolarHBondContact O-OG 3.4Å; L175-S178 WeakPolarHBondContact O-CB 2.9Å; L175-S178 PolarHBondContact O-N 3Å; S178-S180 PolarHBondContact O-N 2.88Å; S178-V181 PolarHBondContact O-N 3.09Å; S178-L182 WeakPolarHBondContact O-CB 3.37Å; S178-L182 WeakPolarHBondContact O-CD1 3.38Å; S178-L182 WeakPolarHBondContact O-CG 3.32Å; S178-L182 PolarHBondContact O-N 2.83Å; S178-L320 WeakPolarHBondContact OG-CD1 3.29Å
179E70.4Confident66.2Low32 Ų3271.6 Ų71.615%0.1537%0.368CS..Hα-helixtrans-56.6-49.7172.9177.6177.4-162.800112.7L175 H176 R177 V181 L182 L183 V306 L375L175-E179 PolarHBondContact O-N 3.33Å; H176-E179 WeakPolarHBondContact O-CB 3.49Å; H176-E179 PolarHBondContact O-N 3.14Å; R177-E179 VanDerWaalsContact C-N 3.29Å; R177-E179 PolarHBondContact O-N 3.04Å; E179-V181 VanDerWaalsContact C-N 3.32Å; E179-V181 PolarHBondContact O-N 2.92Å; E179-L182 PolarHBondContact O-N 3.32Å; E179-L182 VanDerWaalsContact O-N 3.12Å; E179-L183 HydrophobicContact CG-CD1 4.3Å; E179-L183 WeakPolarHBondContact O-CG 3.36Å; E179-L183 PolarHBondContact O-N 3.26Å; E179-V306 HydrophobicContact CB-CG1 3.77Å; E179-V306 HydrophobicContact CB-CG2 4.49Å; E179-V306 HydrophobicContact CG-CG1 3.83Å; E179-L375 WeakPolarHBondContact OE1-CD1 3.25Å; E179-L375 WeakPolarHBondContact OE2-CD1 3.28Å
180S71.4Confident65.3Low46 Ų4672.7 Ų72.732%0.32238%0.38SS..Hα-helixtrans-58.8-42.9179.2-60.80000111.9H176 R177 S178 L183 H184H176-S180 PolarHBondContact O-N 3.25Å; H176-S180 PolarHBondContact O-OG 3.13Å; R177-S180 PolarHBondContact O-N 3.34Å; S178-S180 PolarHBondContact O-N 2.88Å; S180-L183 PolarHBondContact O-N 3.13Å; S180-H184 PolarHBondContact O-ND1 3.41Å
181V68.5Low64.4Low71 Ų7178.1 Ų78.143%0.4341%0.408SS..Hα-helixtrans-65-43.2175.9171.20000110.8R177 S178 E179 L183 H184 M185R177-V181 WeakPolarHBondContact O-CG2 3.01Å; R177-V181 PolarHBondContact O-N 2.85Å; S178-V181 PolarHBondContact O-N 3.09Å; E179-V181 VanDerWaalsContact C-N 3.32Å; E179-V181 PolarHBondContact O-N 2.92Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 2.74Å; V181-H184 PolarHBondContact O-N 3.49Å; V181-H184 VanDerWaalsContact O-N 3.13Å; V181-M185 HydrophobicContact CG1-CG 4.44Å; V181-M185 WeakPolarHBondContact O-CG 3.45Å; V181-M185 PolarHBondContact O-N 3.45Å
182L66.5Low63.6Low25 Ų2584.1 Ų84.113%0.13144%0.435CS..Hα-helixtrans-64.4-32.1179.9-69.5169.3000112.7S178 E179 H184 V306 L322S178-L182 WeakPolarHBondContact O-CB 3.37Å; S178-L182 WeakPolarHBondContact O-CD1 3.38Å; S178-L182 WeakPolarHBondContact O-CG 3.32Å; S178-L182 PolarHBondContact O-N 2.83Å; E179-L182 PolarHBondContact O-N 3.32Å; E179-L182 VanDerWaalsContact O-N 3.12Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.04Å; L182-V306 HydrophobicContact CD1-CB 3.93Å; L182-V306 HydrophobicContact CD1-CG2 3.9Å; L182-L322 HydrophobicContact CD2-CB 4.46Å; L182-L322 HydrophobicContact CD2-CD1 3.41Å; L182-L322 VanDerWaalsContact CD2-CD1 3.41Å; L182-L322 HydrophobicContact CD2-CD2 3.64Å; L182-L322 HydrophobicContact CD2-CG 4.02Å
183L64Low62.8Low105 Ų10589.9 Ų89.955%0.5546%0.462SS..Hα-helixtrans-67-27.8174.4-74.9167.9000113.6E179 S180 V181 N308E179-L183 HydrophobicContact CG-CD1 4.3Å; E179-L183 WeakPolarHBondContact O-CG 3.36Å; E179-L183 PolarHBondContact O-N 3.26Å; S180-L183 PolarHBondContact O-N 3.13Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 2.74Å; L183-N308 VanDerWaalsContact CD2-ND2 3.27Å; L183-N308 WeakPolarHBondContact CD2-ND2 3.32Å
184H63.9Low62Low162 Ų16293.9 Ų93.975%0.7547%0.472SS*.Hα-helixtrans-100.5-2.2-176-65.979.1000113.4S180 V181 L182S180-H184 PolarHBondContact O-ND1 3.41Å; V181-H184 PolarHBondContact O-N 3.49Å; V181-H184 VanDerWaalsContact O-N 3.13Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.04Å
185M60.7Low61.7Low99 Ų9995.3 Ų95.349%0.48849%0.486SS..SBendtrans-76.4137.2177.8-83.5-68.7-137.400111V181 Q187V181-M185 HydrophobicContact CG1-CG 4.44Å; V181-M185 WeakPolarHBondContact O-CG 3.45Å; V181-M185 PolarHBondContact O-N 3.45Å; M185-Q187 PolarHBondContact O-N 3.18Å
186P58.6Low61.7Low107 Ų10797.1 Ų97.170%0.69551%0.507SS*.PPolyproline II helixtrans-56.4139.8172.8-1929.5000110.2P188P186-P188 WeakPolarHBondContact O-CD 3.48Å; P186-P188 VanDerWaalsContact O-N 3.11Å
187Q54.8Low62.3Low182 Ų18296.8 Ų96.885%0.8552%0.515SS*.PPolyproline II helixtrans-55.3121171.9-80.6-172.5-13.900108.9M185M185-Q187 PolarHBondContact O-N 3.18Å
188P54.7Low62.9Low60 Ų6095.3 Ų95.339%0.3951%0.514SS..PPolyproline II helixtrans-61.6149.7172.5-11.223.7000108.7P186 N190 Y324P186-P188 WeakPolarHBondContact O-CD 3.48Å; P186-P188 VanDerWaalsContact O-N 3.11Å; P188-N190 PolarHBondContact O-N 2.96Å; P188-Y324 HydrophobicContact CB-CD1 4.31Å; P188-Y324 HydrophobicContact CB-CE1 3.99Å; P188-Y324 HydrophobicContact CG-CD1 3.68Å; P188-Y324 HydrophobicContact CG-CE1 3.14Å
189L50.5Low63.8Low151 Ų151102.1 Ų102.179%0.79156%0.556SS**PPolyproline II helixtrans-53.1128.7155.8-90.693.5000107.2L191L189-L191 PolarHBondContact O-N 3.05Å
190N51.4Low64.6Low145 Ų145101.9 Ų101.978%0.77556%0.562SS**  trans-59.476.4171.4-89.3-40000110.3P188 E192P188-N190 PolarHBondContact O-N 2.96Å; N190-E192 VanDerWaalsContact C-N 3.28Å; N190-E192 PolarHBondContact O-N 3.07Å
191L50.6Low65.5Low118 Ų118101.1 Ų101.162%0.61855%0.554SS**  trans-86.981162.5-87.1146.5000105.5L189 L193L189-L191 PolarHBondContact O-N 3.05Å; L191-L193 HydrophobicContact CB-CG 4.44Å; L191-L193 HydrophobicContact CD2-CG 4.47Å; L191-L193 PolarHBondContact O-N 2.9Å
192E52.1Low66.4Low128 Ų128103.2 Ų103.260%0.59855%0.554SS**  trans-64.172.7164-73.4-164.2-170.600109.1N190 R194N190-E192 VanDerWaalsContact C-N 3.28Å; N190-E192 PolarHBondContact O-N 3.07Å; E192-R194 PolarHBondContact O-N 3.49Å; E192-R194 IonicContact OE1-NH2 3.95Å; E192-R194 IonicContact OE2-CZ 3.41Å; E192-R194 IonicContact OE2-NE 3.11Å; E192-R194 PolarHBondContact OE2-NE 3.4Å; E192-R194 VanDerWaalsContact OE2-NE 3.11Å; E192-R194 IonicContact OE2-NH2 2.81Å; E192-R194 PolarHBondContact OE2-NH2 2.88Å
193L54.1Low67.5Low135 Ų135107.4 Ų107.471%0.70758%0.577SS**  trans-77.683.1167.8-70.5171.2000107.1L191 A195L191-L193 HydrophobicContact CB-CG 4.44Å; L191-L193 HydrophobicContact CD2-CG 4.47Å; L191-L193 PolarHBondContact O-N 2.9Å; L193-A195 PolarHBondContact O-N 3.46Å; L193-A195 VanDerWaalsContact O-N 3.15Å
194R56.5Low68.9Low160 Ų160110.5 Ų110.560%0.60458%0.581SS**  trans-68.2110.9173.5-66.4-173.4-171.7-126.60.8108.7E192 G196E192-R194 PolarHBondContact O-N 3.49Å; E192-R194 IonicContact OE1-NH2 3.95Å; E192-R194 IonicContact OE2-CZ 3.41Å; E192-R194 IonicContact OE2-NE 3.11Å; E192-R194 PolarHBondContact OE2-NE 3.4Å; E192-R194 VanDerWaalsContact OE2-NE 3.11Å; E192-R194 IonicContact OE2-NH2 2.81Å; E192-R194 PolarHBondContact OE2-NH2 2.88Å; R194-G196 PolarHBondContact O-N 3.33Å
195A64.4Low70.3Confident47 Ų47103.5 Ų103.539%0.38855%0.549SS..PPolyproline II helixtrans-64116.5163.700000108.1L193 S352L193-A195 PolarHBondContact O-N 3.46Å; L193-A195 VanDerWaalsContact O-N 3.15Å; A195-S352 WeakPolarHBondContact O-CB 3.27Å
196G70.8Confident71.8Confident47 Ų47101.2 Ų101.249%0.48554%0.539SS..PPolyproline II helixtrans-64.4159.5178.100000112.4R194 I198R194-G196 PolarHBondContact O-N 3.33Å; G196-I198 PolarHBondContact O-N 3.23Å
197P82.2Confident73.5Confident101 Ų101103 Ų10366%0.65654%0.538SS*.PPolyproline II helixtrans-59.9135.8176.225-33.3000110.6Q350P197-Q350 WeakPolarHBondContact CA-O 3.45Å; P197-Q350 WeakPolarHBondContact CB-O 3.41Å
198I85.1Confident75.5Confident78 Ų7898 Ų9840%0.451%0.514SS..  trans-95.9109.7173-59177.2000108.1G196 G200 L201 S351 P353G196-I198 PolarHBondContact O-N 3.23Å; I198-G200 PolarHBondContact O-N 3.32Å; I198-L201 HydrophobicContact CB-CB 3.94Å; I198-L201 HydrophobicContact CB-CD2 4.3Å; I198-L201 HydrophobicContact CG2-CB 4.06Å; I198-L201 WeakPolarHBondContact O-CB 3.48Å; I198-L201 PolarHBondContact O-N 2.94Å; I198-L201 VanDerWaalsContact O-N 3.09Å; I198-S351 PolarHBondContact N-O 3.2Å; I198-P353 HydrophobicContact CD1-CG 4.18Å
199T88.3Confident77.4Confident145 Ų14598.7 Ų98.789%0.8951%0.508SS*.THydrogen-bonded Turntrans-54.8129.8178.1-52.30000111.2L201T199-L201 PolarHBondContact O-N 3.47Å
200G88.6Confident79.4Confident28 Ų2893.2 Ų93.229%0.28948%0.481SS..THydrogen-bonded Turntrans74.42.4179.600000115.4I198 R202 D203 R204I198-G200 PolarHBondContact O-N 3.32Å; G200-R202 VanDerWaalsContact C-N 3.33Å; G200-R202 PolarHBondContact O-N 3.26Å; G200-D203 PolarHBondContact O-N 3.13Å; G200-R204 WeakPolarHBondContact O-CG 3.37Å; G200-R204 PolarHBondContact O-N 3.14Å
201L88.9Confident81.2Confident29 Ų2989.8 Ų89.815%0.15246%0.463CS..Hα-helixtrans-56.9-48.3177.4176.964.9000111.5I198 T199 D203 R204 L205 V346 S351I198-L201 HydrophobicContact CB-CB 3.94Å; I198-L201 HydrophobicContact CB-CD2 4.3Å; I198-L201 HydrophobicContact CG2-CB 4.06Å; I198-L201 WeakPolarHBondContact O-CB 3.48Å; I198-L201 PolarHBondContact O-N 2.94Å; I198-L201 VanDerWaalsContact O-N 3.09Å; T199-L201 PolarHBondContact O-N 3.47Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-D203 PolarHBondContact O-N 3.23Å; L201-R204 PolarHBondContact O-N 3.18Å; L201-L205 HydrophobicContact CD1-CD1 4.08Å; L201-L205 HydrophobicContact CD1-CG 4.26Å; L201-L205 HydrophobicContact CG-CD1 3.99Å; L201-L205 WeakPolarHBondContact O-CG 3.43Å; L201-L205 PolarHBondContact O-N 2.96Å; L201-V346 HydrophobicContact CD2-CG1 4.35Å; L201-S351 WeakPolarHBondContact CD2-O 3.34Å
202R87.2Confident83.1Confident116 Ų11684.4 Ų84.444%0.43843%0.434SS..Hα-helixtrans-62-42.3-179.2-169.3178-176-160.91112G200 R204 L205 N206 E267G200-R202 VanDerWaalsContact C-N 3.33Å; G200-R202 PolarHBondContact O-N 3.26Å; R202-R204 VanDerWaalsContact C-N 3.32Å; R202-R204 PolarHBondContact O-N 2.95Å; R202-L205 PolarHBondContact O-N 2.91Å; R202-N206 WeakPolarHBondContact O-CB 3.45Å; R202-N206 PolarHBondContact O-N 3.48Å; R202-N206 PolarHBondContact O-ND2 3.13Å; R202-N206 VanDerWaalsContact O-ND2 3.14Å; R202-E267 IonicContact NE-OE1 3.96Å
203D90.7Very high84.7Confident112 Ų11280.5 Ų80.560%0.59942%0.419SS*.Hα-helixtrans-62.9-41.4178.5-59.2-38.5000111.3G200 L201G200-D203 PolarHBondContact O-N 3.13Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-D203 PolarHBondContact O-N 3.23Å
204R92.6Very high86Confident171 Ų17175.2 Ų75.265%0.64539%0.392SS*.Hα-helixtrans-65.2-43.4175.9-69.9174.565.4-173-0112.4G200 L201 R202 Q207 F208G200-R204 WeakPolarHBondContact O-CG 3.37Å; G200-R204 PolarHBondContact O-N 3.14Å; L201-R204 PolarHBondContact O-N 3.18Å; R202-R204 VanDerWaalsContact C-N 3.32Å; R202-R204 PolarHBondContact O-N 2.95Å; R204-Q207 WeakPolarHBondContact O-CB 3.46Å; R204-Q207 PolarHBondContact O-N 2.89Å; R204-F208 WeakPolarHBondContact O-CD2 3.48Å
205L93.1Very high86.7Confident15 Ų1569.2 Ų69.28%0.07937%0.373CS..Hα-helixtrans-67.7-38.3179.3-70.1175.4000112.2L201 R202 Q207 F208 Y265 F335 V346L201-L205 HydrophobicContact CD1-CD1 4.08Å; L201-L205 HydrophobicContact CD1-CG 4.26Å; L201-L205 HydrophobicContact CG-CD1 3.99Å; L201-L205 WeakPolarHBondContact O-CG 3.43Å; L201-L205 PolarHBondContact O-N 2.96Å; R202-L205 PolarHBondContact O-N 2.91Å; L205-Q207 PolarHBondContact O-N 2.85Å; L205-Q207 VanDerWaalsContact O-N 3.14Å; L205-F208 PolarHBondContact O-N 2.76Å; L205-Y265 HydrophobicContact CB-CD1 4.01Å; L205-Y265 HydrophobicContact CB-CD2 3.99Å; L205-Y265 HydrophobicContact CB-CE1 4.02Å; L205-Y265 HydrophobicContact CB-CE2 4.01Å; L205-Y265 HydrophobicContact CB-CG 3.98Å; L205-Y265 HydrophobicContact CD1-CD2 4.34Å; L205-Y265 HydrophobicContact CD1-CE2 3.82Å; L205-Y265 HydrophobicContact CD2-CD2 4.26Å; L205-Y265 HydrophobicContact CG-CD2 4.43Å; L205-Y265 HydrophobicContact CG-CE2 4.35Å; L205-Y265 WeakPolarHBondContact O-CB 3.31Å; L205-Y265 WeakPolarHBondContact O-CD1 3.45Å; L205-F335 HydrophobicContact CD2-CB 3.89Å; L205-F335 HydrophobicContact CD2-CD1 4.42Å; L205-F335 HydrophobicContact CD2-CD2 3.68Å; L205-F335 HydrophobicContact CD2-CE2 4.28Å; L205-F335 HydrophobicContact CD2-CG 3.74Å; L205-V346 HydrophobicContact CD1-CB 4.49Å; L205-V346 HydrophobicContact CD1-CG1 4.04Å; L205-V346 HydrophobicContact CD1-CG2 3.84Å
206N92.3Very high86.4Confident50 Ų5076 Ų7627%0.26740%0.397SS..Hα-helixtrans-62.4-20.1178.4-83.4-42.7000113.6R202 F208 R209R202-N206 WeakPolarHBondContact O-CB 3.45Å; R202-N206 PolarHBondContact O-N 3.48Å; R202-N206 PolarHBondContact O-ND2 3.13Å; R202-N206 VanDerWaalsContact O-ND2 3.14Å; N206-F208 PolarHBondContact O-N 3.41Å; N206-R209 VanDerWaalsContact O-CB 3.31Å; N206-R209 WeakPolarHBondContact O-CB 3.34Å; N206-R209 PolarHBondContact O-N 3.28Å; N206-R209 PolarHBondContact OD1-NH1 2.95Å; N206-R209 VanDerWaalsContact OD1-NH1 3.14Å
207Q95.6Very high85.9Confident146 Ų14678.8 Ų78.868%0.68240%0.401SS*.THydrogen-bonded Turntrans-62-22.3172.4-63.517312.400112.7R204 L205R204-Q207 WeakPolarHBondContact O-CB 3.46Å; R204-Q207 PolarHBondContact O-N 2.89Å; L205-Q207 PolarHBondContact O-N 2.85Å; L205-Q207 VanDerWaalsContact O-N 3.14Å
208F95.8Very high84.6Confident76 Ų7674.7 Ų74.733%0.33337%0.373SS..THydrogen-bonded Turntrans-108.113.2-179.2-54.1-75.9000112.6R204 L205 N206 V210 K263 Y264 Y265 F335R204-F208 WeakPolarHBondContact O-CD2 3.48Å; L205-F208 PolarHBondContact O-N 2.76Å; N206-F208 PolarHBondContact O-N 3.41Å; F208-V210 PolarHBondContact O-N 3.05Å; F208-K263 HydrophobicContact CD1-CB 3.67Å; F208-K263 HydrophobicContact CE1-CB 3.97Å; F208-K263 HydrophobicContact CE1-CD 4.2Å; F208-K263 HydrophobicContact CG-CB 4.18Å; F208-K263 HydrophobicContact CZ-CD 4.38Å; F208-Y264 CarbonylContact O-C 3.58Å; F208-Y265 PolarHBondContact O-N 3.5Å; F208-F335 HydrophobicContact CB-CE2 4.05Å; F208-F335 AromaticContact CD2-CE2 3.6Å; F208-F335 HydrophobicContact CD2-CE2 3.6Å; F208-F335 HydrophobicContact CD2-CZ 4.24Å; F208-F335 HydrophobicContact CE2-CE2 4.22Å; F208-F335 HydrophobicContact CE2-CZ 4.43Å; F208-F335 AromaticContact CG-CE2 3.86Å; F208-F335 HydrophobicContact CG-CE2 3.86Å
209R94.4Very high83.3Confident75 Ų7573.1 Ų73.128%0.28337%0.372SS..BIsolated β-bridgetrans-65.7131.8-170.3-168.9172.3-173.3143.37.1112.1N206 Y265 E267N206-R209 VanDerWaalsContact O-CB 3.31Å; N206-R209 WeakPolarHBondContact O-CB 3.34Å; N206-R209 PolarHBondContact O-N 3.28Å; N206-R209 PolarHBondContact OD1-NH1 2.95Å; N206-R209 VanDerWaalsContact OD1-NH1 3.14Å; R209-Y265 CarbonylContact C-O 3.52Å; R209-Y265 VanDerWaalsContact CA-O 3.29Å; R209-Y265 WeakPolarHBondContact CA-O 2.92Å; R209-Y265 HydrophobicContact CB-CD1 4.42Å; R209-Y265 HydrophobicContact CG-CD1 4.47Å; R209-E267 IonicContact CZ-OE2 3.44Å; R209-E267 IonicContact NH1-OE1 3.71Å; R209-E267 IonicContact NH1-OE2 3.44Å; R209-E267 PolarHBondContact NH1-OE2 3.19Å; R209-E267 IonicContact NH2-OE2 2.69Å; R209-E267 PolarHBondContact NH2-OE2 3.44Å
210V93.3Very high82Confident36 Ų3668.4 Ų68.422%0.21834%0.341CS..  trans-127148.9172.8-66.70000111.4F208 I212 F259 Y264 Y265 W266F208-V210 PolarHBondContact O-N 3.05Å; V210-I212 HydrophobicContact CG2-CD1 4.07Å; V210-F259 HydrophobicContact CG2-CE1 4.36Å; V210-F259 HydrophobicContact CG2-CZ 4.17Å; V210-Y264 HydrophobicContact CG1-CD1 3.75Å; V210-Y264 HydrophobicContact CG1-CE1 4.48Å; V210-Y264 HydrophobicContact CG2-CD1 4.48Å; V210-Y265 PolarHBondContact N-O 3.23Å; V210-W266 HydrophobicContact CG2-CB 4.5Å; V210-W266 HydrophobicContact CG2-CE3 4.05Å
211D89.6Confident80.7Confident72 Ų7270 Ų7039%0.38535%0.348SS..  trans-92.5112.6178.4-65.9-17.3000109.7R230 Q257D211-R230 VanDerWaalsContact OD1-CD 3.3Å; D211-R230 WeakPolarHBondContact OD1-CD 3.43Å; D211-R230 IonicContact OD1-NH1 3.98Å; D211-Q257 PolarHBondContact O-NE2 3Å
212I89.2Confident79.8Confident5 Ų569 Ų693%0.02634%0.342CS..  trans-79.8133.4174.9-54.1-53.6000109.5V210 I232 Q257 F259 W266 P368 F370V210-I212 HydrophobicContact CG2-CD1 4.07Å; I212-I232 HydrophobicContact CB-CD1 4.32Å; I212-I232 HydrophobicContact CB-CG1 4.04Å; I212-I232 HydrophobicContact CG2-CD1 4.26Å; I212-I232 HydrophobicContact CG2-CG1 4.11Å; I212-Q257 HydrophobicContact CD1-CB 4.45Å; I212-Q257 HydrophobicContact CD1-CG 4.45Å; I212-F259 HydrophobicContact CD1-CZ 3.97Å; I212-W266 HydrophobicContact CD1-CB 4.44Å; I212-W266 HydrophobicContact CD1-CD2 4.01Å; I212-W266 HydrophobicContact CD1-CE3 4.19Å; I212-W266 HydrophobicContact CD1-CG 4.15Å; I212-W266 HydrophobicContact CG1-CB 3.79Å; I212-W266 HydrophobicContact CG1-CD2 3.86Å; I212-W266 HydrophobicContact CG1-CG 3.51Å; I212-P368 HydrophobicContact CD1-CG 3.93Å; I212-P368 HydrophobicContact CG2-CB 4.31Å; I212-P368 HydrophobicContact CG2-CG 4.26Å; I212-F370 HydrophobicContact CG2-CE2 3.92Å; I212-F370 HydrophobicContact CG2-CZ 3.84Å
213T86.8Confident79.3Confident46 Ų4663.5 Ų63.528%0.28232%0.321SS..  trans-118143.8176.759.50000109.8G255 A256 Q257T213-G255 CarbonylContact O-C 3.52Å; T213-G255 WeakPolarHBondContact O-CA 3.09Å; T213-A256 PolarHBondContact O-N 3.36Å; T213-A256 WeakPolarHBondContact OG1-CB 3.44Å; T213-Q257 PolarHBondContact OG1-NE2 3.18Å
214L80.3Confident78.4Confident24 Ų2460.4 Ų60.413%0.12630%0.303CS..  trans-99.7124.8171.6-62173.1000107.4A219 I223 I232 A253 W254 F370L214-A219 HydrophobicContact CB-CB 4.14Å; L214-A219 HydrophobicContact CD1-CB 4.48Å; L214-I223 HydrophobicContact CD1-CG2 3.83Å; L214-I223 WeakPolarHBondContact CD1-O 3.48Å; L214-I232 HydrophobicContact CD1-CD1 4.21Å; L214-I232 HydrophobicContact CG-CD1 3.99Å; L214-A253 HydrophobicContact CD2-CB 4.04Å; L214-W254 WeakPolarHBondContact CD2-O 3.43Å; L214-F370 HydrophobicContact CD2-CD2 4.12Å; L214-F370 HydrophobicContact CD2-CE2 4.22Å
215P72.6Confident77.5Confident34 Ų3459.1 Ų59.122%0.22130%0.298CS..  trans-51.3149.3168.4-27.335.7000111.2N217 E218 A219 W254 A256P215-N217 WeakPolarHBondContact CB-OD1 3.41Å; P215-N217 PolarHBondContact O-N 3.1Å; P215-E218 HydrophobicContact CB-CB 4.21Å; P215-E218 HydrophobicContact CB-CG 3.77Å; P215-E218 HydrophobicContact CG-CB 4.36Å; P215-E218 HydrophobicContact CG-CG 3.81Å; P215-E218 PolarHBondContact O-N 3.35Å; P215-A219 PolarHBondContact O-N 3.33Å; P215-A219 VanDerWaalsContact O-N 3.09Å; P215-W254 WeakPolarHBondContact CD-O 3.38Å; P215-A256 HydrophobicContact CG-CB 3.94Å
216H58.2Low76.3Confident190 Ų19064.7 Ų64.788%0.8832%0.318SS*.THydrogen-bonded Turntrans-57.8-24.4-176.3-16965.3000113.4
217N58.9Low74.5Confident105 Ų10566.3 Ų66.356%0.56135%0.346SS*.THydrogen-bonded Turntrans-89.9-3175.565-34.6000114.9R164 P215R164-N217 PolarHBondContact NH1-O 3.4Å; P215-N217 WeakPolarHBondContact CB-OD1 3.41Å; P215-N217 PolarHBondContact O-N 3.1Å
218E55.5Low72.8Confident15 Ų1565.3 Ų65.37%0.0735%0.346CS..THydrogen-bonded Turntrans-113-20.9-179.9-59.6-85.4-142.100111.9R164 P215 A253 R367R164-E218 IonicContact NH1-OE2 3.13Å; R164-E218 PolarHBondContact NH1-OE2 3.46Å; P215-E218 HydrophobicContact CB-CB 4.21Å; P215-E218 HydrophobicContact CB-CG 3.77Å; P215-E218 HydrophobicContact CG-CB 4.36Å; P215-E218 HydrophobicContact CG-CG 3.81Å; P215-E218 PolarHBondContact O-N 3.35Å; E218-A253 VanDerWaalsContact O-CB 3.29Å; E218-A253 WeakPolarHBondContact O-CB 3.36Å; E218-R367 IonicContact OE1-NH1 3.96Å; E218-R367 IonicContact OE1-NH2 2.7Å; E218-R367 PolarHBondContact OE1-NH2 3.4Å
219A56.8Low70.9Confident46 Ų4664.5 Ų64.538%0.3835%0.345SS..  trans-72126.1170.600000109.6L214 P215L214-A219 HydrophobicContact CB-CB 4.14Å; L214-A219 HydrophobicContact CD1-CB 4.48Å; P215-A219 PolarHBondContact O-N 3.33Å; P215-A219 VanDerWaalsContact O-N 3.09Å
220N62.4Low69.6Low45 Ų4568.6 Ų68.624%0.24136%0.36CS..BIsolated β-bridgetrans-125.8175.4172.866.927.7000109.9H222 I223N220-H222 PolarHBondContact O-N 2.82Å; N220-H222 WeakPolarHBondContact OD1-CA 3.38Å; N220-H222 PolarHBondContact OD1-N 2.92Å; N220-I223 PolarHBondContact N-O 3.06Å; N220-I223 VanDerWaalsContact N-O 3.12Å; N220-I223 CarbonylContact O-C 3.56Å; N220-I223 PolarHBondContact O-N 3.28Å; N220-I223 VanDerWaalsContact O-O 3.11Å; N220-I223 PolarHBondContact OD1-N 3.17Å
221S61.4Low68.6Low63 Ų6367 Ų6744%0.44135%0.351SS..THydrogen-bonded Turntrans-61-6.9179.846.20000114.9
222H69.8Low68.3Low7 Ų763.6 Ų63.63%0.03233%0.333CS..THydrogen-bonded Turntrans-119.8-15.9-175-55.3-78000113.7N220 G235 F251 W274N220-H222 PolarHBondContact O-N 2.82Å; N220-H222 WeakPolarHBondContact OD1-CA 3.38Å; N220-H222 PolarHBondContact OD1-N 2.92Å; H222-G235 CarbonylContact C-O 3.59Å; H222-G235 WeakPolarHBondContact CA-O 3.46Å; H222-G235 CarbonylContact O-C 3.5Å; H222-G235 PolarHBondContact O-N 2.79Å; H222-F251 HydrophobicContact CB-CB 4.19Å; H222-F251 HydrophobicContact CB-CD1 4.36Å; H222-F251 HydrophobicContact CB-CD2 3.92Å; H222-F251 HydrophobicContact CB-CE2 4.43Å; H222-F251 HydrophobicContact CB-CG 3.87Å; H222-F251 AromaticContact CD2-CD1 3.51Å; H222-F251 AromaticContact CD2-CD2 3.73Å; H222-F251 AromaticContact CD2-CE1 3.22Å; H222-F251 WeakPolarHBondContact CD2-CE1 3.41Å; H222-F251 AromaticContact CD2-CE2 3.46Å; H222-F251 VanDerWaalsContact CD2-CE2 3.46Å; H222-F251 WeakPolarHBondContact CD2-CE2 3.49Å; H222-F251 AromaticContact CD2-CG 3.76Å; H222-F251 AromaticContact CD2-CZ 3.18Å; H222-F251 WeakPolarHBondContact CD2-CZ 3.33Å; H222-F251 AromaticContact CG-CD2 3.71Å; H222-F251 AromaticContact CG-CE2 3.72Å; H222-F251 AromaticContact CG-CG 3.93Å; H222-F251 AromaticContact CG-CZ 3.94Å; H222-F251 AromaticContact NE2-CE1 3.72Å; H222-F251 AromaticContact NE2-CE2 3.74Å; H222-F251 AromaticContact NE2-CZ 3.32Å; H222-F251 VanDerWaalsContact NE2-CZ 3.32Å; H222-F251 WeakPolarHBondContact NE2-CZ 3.22Å; H222-W274 HydrophobicContact CB-CZ3 4.46Å; H222-W274 AromaticContact CE1-CH2 3.37Å; H222-W274 WeakPolarHBondContact CE1-CH2 3.43Å; H222-W274 AromaticContact CE1-CZ2 3.99Å; H222-W274 AromaticContact CG-CH2 3.97Å; H222-W274 AromaticContact ND1-CH2 3.08Å; H222-W274 WeakPolarHBondContact ND1-CH2 3.1Å; H222-W274 AromaticContact ND1-CZ2 3.69Å; H222-W274 AromaticContact ND1-CZ3 3.57Å
223I75.4Confident67.8Low0 Ų063.7 Ų63.70%033%0.334CS..EExtended strand (participates in β ladder)trans-138.5103.3176.4-50.4176.5000107.1L214 N220 I232 C233 F251 A253 F370L214-I223 HydrophobicContact CD1-CG2 3.83Å; L214-I223 WeakPolarHBondContact CD1-O 3.48Å; N220-I223 PolarHBondContact N-O 3.06Å; N220-I223 VanDerWaalsContact N-O 3.12Å; N220-I223 CarbonylContact O-C 3.56Å; N220-I223 PolarHBondContact O-N 3.28Å; N220-I223 VanDerWaalsContact O-O 3.11Å; N220-I223 PolarHBondContact OD1-N 3.17Å; I223-I232 HydrophobicContact CG2-CG2 3.93Å; I223-C233 WeakPolarHBondContact CA-O 3.45Å; I223-F251 HydrophobicContact CD1-CB 4.36Å; I223-A253 HydrophobicContact CB-CB 4.12Å; I223-A253 HydrophobicContact CD1-CB 3.92Å; I223-A253 HydrophobicContact CG2-CB 3.9Å; I223-F370 HydrophobicContact CD1-CB 4.18Å; I223-F370 WeakPolarHBondContact CD1-O 3.42Å; I223-F370 HydrophobicContact CG2-CB 4Å
224F73.4Confident67.4Low47 Ų4761.7 Ų61.721%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-145.1164.1-173.161.4-86.8000111.1R226 C233 D237F224-R226 HydrophobicContact CE2-CB 4.47Å; F224-C233 HydrophobicContact CD2-CB 4.42Å; F224-C233 HydrophobicContact CE1-CB 4.34Å; F224-C233 HydrophobicContact CE2-CB 4.09Å; F224-C233 HydrophobicContact CZ-CB 4.04Å; F224-C233 PolarHBondContact N-O 3.02Å; F224-C233 PolarHBondContact O-N 3.33Å; F224-D237 HydrophobicContact CE1-CB 4.26Å; F224-D237 HydrophobicContact CZ-CB 4.03Å
225R72.4Confident66.8Low145 Ų14561.2 Ų61.255%0.54732%0.322SS..EExtended strand (participates in β ladder)trans-95.1125.2170.4-167.1-177.574174.74.3108.7
226R68.9Low66.3Low131 Ų13161.2 Ų61.249%0.49432%0.322SS..  trans-78.8135.4173.4-154.6-178.2-158.8-162.12.9109.7F224 D228 L229F224-R226 HydrophobicContact CE2-CB 4.47Å; R226-D228 PolarHBondContact O-N 3.39Å; R226-L229 HydrophobicContact CB-CB 4.3Å; R226-L229 HydrophobicContact CB-CD1 4.28Å; R226-L229 PolarHBondContact O-N 3.45Å; R226-L229 VanDerWaalsContact O-N 3.12Å; R226-L229 VanDerWaalsContact O-O 3.13Å
227G54.7Low66.2Low84 Ų8454.9 Ų54.987%0.86630%0.295SS*.THydrogen-bonded Turntrans-59.2-17-165.200000117
228D58.2Low65.8Low125 Ų12560.5 Ų60.567%0.66831%0.308SS*.THydrogen-bonded Turntrans-114.2-13.9-178.356.5-12.4000113.8R226R226-D228 PolarHBondContact O-N 3.39Å
229L56.2Low65.5Low59 Ų5967.7 Ų67.731%0.30934%0.342SS..  trans-106.8125.4-176.7-63.8170.6000110.2R226 S231R226-L229 HydrophobicContact CB-CB 4.3Å; R226-L229 HydrophobicContact CB-CD1 4.28Å; R226-L229 PolarHBondContact O-N 3.45Å; R226-L229 VanDerWaalsContact O-N 3.12Å; R226-L229 VanDerWaalsContact O-O 3.13Å; L229-S231 PolarHBondContact O-N 2.88Å
230R67.6Low65Low161 Ų16171.4 Ų71.461%0.60836%0.355SS*.SBendtrans-66.26.1169.9-67.6179.4178.8-155.76.8113.3D211D211-R230 VanDerWaalsContact OD1-CD 3.3Å; D211-R230 WeakPolarHBondContact OD1-CD 3.43Å; D211-R230 IonicContact OD1-NH1 3.98Å
231S72.6Confident64.2Low3 Ų372.1 Ų72.12%0.02137%0.368CS..SBendtrans-102148.5-179.652.60000111.7L229 E267 H331L229-S231 PolarHBondContact O-N 2.88Å; S231-E267 VanDerWaalsContact CA-O 3.28Å; S231-E267 WeakPolarHBondContact CA-O 3.39Å; S231-E267 WeakPolarHBondContact CB-O 3.35Å; S231-H331 PolarHBondContact OG-NE2 3.48Å
232I82.2Confident63.4Low1 Ų172.5 Ų72.51%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-79134.7168.9-62.2-58.6000108.1I212 L214 I223 E267 V268 H269 F370I212-I232 HydrophobicContact CB-CD1 4.32Å; I212-I232 HydrophobicContact CB-CG1 4.04Å; I212-I232 HydrophobicContact CG2-CD1 4.26Å; I212-I232 HydrophobicContact CG2-CG1 4.11Å; L214-I232 HydrophobicContact CD1-CD1 4.21Å; L214-I232 HydrophobicContact CG-CD1 3.99Å; I223-I232 HydrophobicContact CG2-CG2 3.93Å; I232-E267 PolarHBondContact N-O 3.05Å; I232-V268 CarbonylContact O-C 3.59Å; I232-V268 WeakPolarHBondContact O-CA 3.38Å; I232-V268 WeakPolarHBondContact O-CG1 3.44Å; I232-H269 PolarHBondContact O-N 3.07Å; I232-F370 HydrophobicContact CB-CE1 4.23Å; I232-F370 HydrophobicContact CB-CZ 4.42Å; I232-F370 HydrophobicContact CG1-CE1 4.23Å; I232-F370 HydrophobicContact CG1-CE2 4.34Å; I232-F370 HydrophobicContact CG1-CZ 3.93Å; I232-F370 HydrophobicContact CG2-CD1 4.08Å; I232-F370 HydrophobicContact CG2-CE1 4.19Å; I232-F370 HydrophobicContact CG2-CG 4.27Å; I232-F370 HydrophobicContact CG2-CZ 4.47Å
233C79.9Confident62.2Low7 Ų781.4 Ų81.45%0.04741%0.41CS..EExtended strand (participates in β ladder)trans-98.3130.6173.7-61.70000109.8I223 F224I223-C233 WeakPolarHBondContact CA-O 3.45Å; F224-C233 HydrophobicContact CD2-CB 4.42Å; F224-C233 HydrophobicContact CE1-CB 4.34Å; F224-C233 HydrophobicContact CE2-CB 4.09Å; F224-C233 HydrophobicContact CZ-CB 4.04Å; F224-C233 PolarHBondContact N-O 3.02Å; F224-C233 PolarHBondContact O-N 3.33Å
234I77.3Confident61Low4 Ų485.3 Ų85.32%0.02143%0.43CS..EExtended strand (participates in β ladder)trans-113.4116171.5-56179.4000108.7V268 H269 G271 W276 F278 F370 C372I234-V268 HydrophobicContact CD1-CG1 3.56Å; I234-V268 HydrophobicContact CG1-CG1 3.72Å; I234-H269 PolarHBondContact N-O 2.75Å; I234-G271 PolarHBondContact O-N 3.31Å; I234-W276 HydrophobicContact CG2-CB 3.73Å; I234-F278 HydrophobicContact CD1-CB 4.04Å; I234-F278 HydrophobicContact CD1-CD1 4.27Å; I234-F278 HydrophobicContact CD1-CG 4.44Å; I234-F370 HydrophobicContact CD1-CB 4.14Å; I234-F370 HydrophobicContact CD1-CD1 4.11Å; I234-C372 HydrophobicContact CG2-CB 3.58Å; I234-C372 VanDerWaalsContact CG2-SG 3.56Å
235G69Low59.6Low14 Ų1487.8 Ų87.814%0.14445%0.449CS..SBendtrans139.1170.2-177.800000112.6H222H222-G235 CarbonylContact C-O 3.59Å; H222-G235 WeakPolarHBondContact CA-O 3.46Å; H222-G235 CarbonylContact O-C 3.5Å; H222-G235 PolarHBondContact O-N 2.79Å
236C62.2Low58.2Low34 Ų3486.1 Ų86.123%0.2347%0.466CS..  trans-81.7132.1178.1-171.10000111.8R238 W274C236-R238 PolarHBondContact O-N 2.77Å; C236-W274 HydrophobicContact CB-CH2 4.46Å; C236-W274 HydrophobicContact CB-CZ2 3.68Å
237D55.5Low57.2Low57 Ų5784 Ų8431%0.30547%0.468SS..  trans-69.9112.7164.2-171.3-5.8000109F224 Q239 N240F224-D237 HydrophobicContact CE1-CB 4.26Å; F224-D237 HydrophobicContact CZ-CB 4.03Å; D237-Q239 PolarHBondContact O-N 3.12Å; D237-Q239 PolarHBondContact OD1-N 2.92Å; D237-N240 PolarHBondContact O-N 3.03Å
238R51.2Low57.2Low222 Ų22284.2 Ų84.284%0.83845%0.454SS*.G310 helixtrans-55.7-20.3-178.5-77.4-174.7167.1-173.9-3.2113.3C236 N240C236-R238 PolarHBondContact O-N 2.77Å; R238-N240 VanDerWaalsContact C-N 3.33Å
239Q49.1Very low57.5Low167 Ų16780.2 Ų80.278%0.7843%0.434SS*.G310 helixtrans-77.8-14.9179.4-63.7-17521.900113.8D237D237-Q239 PolarHBondContact O-N 3.12Å; D237-Q239 PolarHBondContact OD1-N 2.92Å
240N45.3Very low58.2Low123 Ų12378.6 Ų78.666%0.65843%0.428SS*.G310 helixtrans-133.926.9-175.8-73.4-48.8000113.5D237 R238 P242D237-N240 PolarHBondContact O-N 3.03Å; R238-N240 VanDerWaalsContact C-N 3.33Å; N240-P242 WeakPolarHBondContact O-CD 3.42Å; N240-P242 VanDerWaalsContact O-N 3.14Å
241A45Very low58.6Low61 Ų6173 Ų7350%0.50441%0.408SS..  trans-64.2112.6-176.600000111.4
242P45.2Very low58.9Low71 Ų7173.5 Ų73.546%0.46141%0.41SS..  trans-67.5152168.628.7-30000109.3N240 I244N240-P242 WeakPolarHBondContact O-CD 3.42Å; N240-P242 VanDerWaalsContact O-N 3.14Å; P242-I244 PolarHBondContact O-N 2.69Å
243H45.4Very low58.9Low193 Ų19373.4 Ų73.489%0.89441%0.41SS*.  trans-55106.7173.8-71.1-67.6000110T245H243-T245 PolarHBondContact O-N 2.65Å
244I49.8Very low59.2Low82 Ų8273.8 Ų73.842%0.42141%0.411SS..  trans-71.1112.9178.6-57.3178000107.4P242 W274P242-I244 PolarHBondContact O-N 2.69Å; I244-W274 HydrophobicContact CD1-CZ2 4.19Å
245T43.7Very low59.7Low100 Ų10073.6 Ų73.661%0.61341%0.41SS*.  trans-73.1152.3170.942.80000110.7H243 T247H243-T245 PolarHBondContact O-N 2.65Å; T245-T247 PolarHBondContact O-N 3.38Å
246A43.5Very low60.6Low110 Ų11075.1 Ų75.191%0.90942%0.42SS*.SBendtrans-63.717.3-171.500000117.3
247T47.3Very low62Low87 Ų8775.8 Ų75.853%0.53442%0.42SS..SBendtrans-106.9131.4176.551.30000109.4T245 T249T245-T247 PolarHBondContact O-N 3.38Å; T247-T249 PolarHBondContact O-N 2.99Å
248P55.5Low63.8Low88 Ų8876.9 Ų76.957%0.57143%0.429SS*.  trans-51.1126.8174.6-27.934.6000111.1H374 L375P248-H374 CarbonylContact C-O 3.53Å; P248-H374 WeakPolarHBondContact CA-O 3.23Å; P248-L375 HydrophobicContact CB-CD2 4.28Å
249T65.1Low65.8Low40 Ų4066.8 Ų66.825%0.24539%0.391CS..EExtended strand (participates in β ladder)trans-115.8123.9-179.748.30000109.9T247 H374T247-T249 PolarHBondContact O-N 2.99Å; T249-H374 PolarHBondContact N-O 3.5Å; T249-H374 PolarHBondContact O-N 3.27Å
250S69.5Low67.9Low25 Ų2563.1 Ų63.118%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-107.9142.5173.862.30000110.9W168 C372W168-S250 VanDerWaalsContact CZ2-O 3.23Å; W168-S250 WeakPolarHBondContact CZ2-O 3.34Å; W168-S250 WeakPolarHBondContact CZ2-OG 3.36Å; W168-S250 PolarHBondContact NE1-O 3.37Å; W168-S250 PolarHBondContact NE1-OG 2.85Å; S250-C372 CarbonylContact C-O 3.59Å; S250-C372 WeakPolarHBondContact CA-O 3.32Å
251F76.9Confident70.3Confident43 Ų4360.3 Ų60.319%0.18937%0.371CS..EExtended strand (participates in β ladder)trans-125.4131.4-178.2-62.9-79.7000107.8H222 I223 W274 C371 C372H222-F251 HydrophobicContact CB-CB 4.19Å; H222-F251 HydrophobicContact CB-CD1 4.36Å; H222-F251 HydrophobicContact CB-CD2 3.92Å; H222-F251 HydrophobicContact CB-CE2 4.43Å; H222-F251 HydrophobicContact CB-CG 3.87Å; H222-F251 AromaticContact CD2-CD1 3.51Å; H222-F251 AromaticContact CD2-CD2 3.73Å; H222-F251 AromaticContact CD2-CE1 3.22Å; H222-F251 WeakPolarHBondContact CD2-CE1 3.41Å; H222-F251 AromaticContact CD2-CE2 3.46Å; H222-F251 VanDerWaalsContact CD2-CE2 3.46Å; H222-F251 WeakPolarHBondContact CD2-CE2 3.49Å; H222-F251 AromaticContact CD2-CG 3.76Å; H222-F251 AromaticContact CD2-CZ 3.18Å; H222-F251 WeakPolarHBondContact CD2-CZ 3.33Å; H222-F251 AromaticContact CG-CD2 3.71Å; H222-F251 AromaticContact CG-CE2 3.72Å; H222-F251 AromaticContact CG-CG 3.93Å; H222-F251 AromaticContact CG-CZ 3.94Å; H222-F251 AromaticContact NE2-CE1 3.72Å; H222-F251 AromaticContact NE2-CE2 3.74Å; H222-F251 AromaticContact NE2-CZ 3.32Å; H222-F251 VanDerWaalsContact NE2-CZ 3.32Å; H222-F251 WeakPolarHBondContact NE2-CZ 3.22Å; I223-F251 HydrophobicContact CD1-CB 4.36Å; F251-W274 HydrophobicContact CD2-CH2 4.44Å; F251-W274 AromaticContact CD2-CZ3 3.7Å; F251-W274 HydrophobicContact CD2-CZ3 3.7Å; F251-W274 AromaticContact CE2-CH2 3.94Å; F251-W274 HydrophobicContact CE2-CH2 3.94Å; F251-W274 AromaticContact CE2-CZ3 3.6Å; F251-W274 HydrophobicContact CE2-CZ3 3.6Å; F251-C371 CarbonylContact O-C 3.57Å; F251-C371 WeakPolarHBondContact O-CA 3.27Å; F251-C371 PolarHBondContact O-SG 3.26Å; F251-C372 PolarHBondContact N-O 3.29Å; F251-C372 PolarHBondContact O-N 3.02Å
252L79.3Confident72.7Confident14 Ų1458.3 Ų58.37%0.07336%0.356CS..EExtended strand (participates in β ladder)trans-130.1141.3177.9-169.772.2000108.8W168 F171 W254 I369 F370 C371W168-L252 HydrophobicContact CB-CD2 4.09Å; W168-L252 VanDerWaalsContact CD1-CB 3.5Å; W168-L252 HydrophobicContact CG-CB 4.4Å; F171-L252 HydrophobicContact CB-CD1 4.31Å; F171-L252 HydrophobicContact CD1-CD1 4.07Å; F171-L252 HydrophobicContact CD2-CD1 4.49Å; F171-L252 HydrophobicContact CG-CD1 4.02Å; L252-W254 HydrophobicContact CD2-CH2 3.26Å; L252-W254 HydrophobicContact CD2-CZ2 3.4Å; L252-W254 VanDerWaalsContact CD2-CZ2 3.4Å; L252-W254 HydrophobicContact CD2-CZ3 3.97Å; L252-W254 HydrophobicContact CG-CH2 3.96Å; L252-W254 HydrophobicContact CG-CZ2 4.18Å; L252-W254 HydrophobicContact CG-CZ3 4.17Å; L252-I369 HydrophobicContact CD1-CD1 3.97Å; L252-I369 HydrophobicContact CD1-CG1 3.78Å; L252-I369 HydrophobicContact CD2-CD1 4.44Å; L252-I369 HydrophobicContact CG-CG1 4.44Å; L252-F370 CarbonylContact C-O 3.58Å; L252-F370 WeakPolarHBondContact CA-O 3.38Å; L252-F370 WeakPolarHBondContact CD1-O 3.44Å; L252-C371 HydrophobicContact CD1-CB 3.69Å
253A82.1Confident75.2Confident0 Ų059.1 Ų59.10%035%0.352CS..EExtended strand (participates in β ladder)trans-142.8152.2174.500000110.1L214 E218 I223 F370L214-A253 HydrophobicContact CD2-CB 4.04Å; E218-A253 VanDerWaalsContact O-CB 3.29Å; E218-A253 WeakPolarHBondContact O-CB 3.36Å; I223-A253 HydrophobicContact CB-CB 4.12Å; I223-A253 HydrophobicContact CD1-CB 3.92Å; I223-A253 HydrophobicContact CG2-CB 3.9Å; A253-F370 PolarHBondContact N-O 3.39Å; A253-F370 PolarHBondContact O-N 3.14Å
254W86.2Confident77.7Confident15 Ų1552.6 Ų52.66%0.05732%0.32CS..EExtended strand (participates in β ladder)trans-116.3143.7174-67.3-94.1000111.4R164 H167 L214 P215 L252 R367 P368R164-W254 HydrophobicContact CB-CH2 4.43Å; R164-W254 HydrophobicContact CG-CE3 4.3Å; R164-W254 HydrophobicContact CG-CH2 3.42Å; R164-W254 VanDerWaalsContact CG-CH2 3.42Å; R164-W254 HydrophobicContact CG-CZ3 3.29Å; H167-W254 HydrophobicContact CB-CH2 4.22Å; H167-W254 HydrophobicContact CB-CZ2 3.73Å; L214-W254 WeakPolarHBondContact CD2-O 3.43Å; P215-W254 WeakPolarHBondContact CD-O 3.38Å; L252-W254 HydrophobicContact CD2-CH2 3.26Å; L252-W254 HydrophobicContact CD2-CZ2 3.4Å; L252-W254 VanDerWaalsContact CD2-CZ2 3.4Å; L252-W254 HydrophobicContact CD2-CZ3 3.97Å; L252-W254 HydrophobicContact CG-CH2 3.96Å; L252-W254 HydrophobicContact CG-CZ2 4.18Å; L252-W254 HydrophobicContact CG-CZ3 4.17Å; W254-R367 HydrophobicContact CB-CG 4.48Å; W254-R367 VanDerWaalsContact CB-NH1 3.29Å; W254-P368 WeakPolarHBondContact CA-O 3.46Å
255G87.9Confident79.9Confident0 Ų048.8 Ų48.80%030%0.3CS..  trans-65.5147.9169.500000111.6T213 Q257 R367 P368T213-G255 CarbonylContact O-C 3.52Å; T213-G255 WeakPolarHBondContact O-CA 3.09Å; G255-Q257 VanDerWaalsContact C-N 3.25Å; G255-Q257 PolarHBondContact O-N 3.31Å; G255-R367 WeakPolarHBondContact O-CG 3.47Å; G255-R367 VanDerWaalsContact O-CZ 3.3Å; G255-R367 PolarHBondContact O-NE 3.12Å; G255-R367 PolarHBondContact O-NH2 3.46Å; G255-R367 VanDerWaalsContact O-NH2 3.11Å; G255-P368 PolarHBondContact N-O 3.17Å
256A86.9Confident82.3Confident45 Ų4544.1 Ų44.137%0.37227%0.271SS..SBendtrans-70.4-26.2174.300000112T213 P215T213-A256 PolarHBondContact O-N 3.36Å; T213-A256 WeakPolarHBondContact OG1-CB 3.44Å; P215-A256 HydrophobicContact CG-CB 3.94Å
257Q90.8Very high84.7Confident48 Ų4839.3 Ų39.322%0.22423%0.23CC..  trans-71.7146.3-177.2-67.578.214.900112.3D211 I212 T213 G255 F259 P368D211-Q257 PolarHBondContact O-NE2 3Å; I212-Q257 HydrophobicContact CD1-CB 4.45Å; I212-Q257 HydrophobicContact CD1-CG 4.45Å; T213-Q257 PolarHBondContact OG1-NE2 3.18Å; G255-Q257 VanDerWaalsContact C-N 3.25Å; G255-Q257 PolarHBondContact O-N 3.31Å; Q257-F259 HydrophobicContact CB-CE1 4.27Å; Q257-F259 HydrophobicContact CB-CE2 4.46Å; Q257-F259 HydrophobicContact CB-CZ 3.94Å; Q257-P368 WeakPolarHBondContact O-CD 3.47Å
258T93.2Very high86.8Confident81 Ų8135.1 Ų35.150%0.49721%0.205SC..  trans-127.5133172.454.40000110.1P365 L366T258-P365 HydrophobicContact CG2-CB 4.42Å; T258-L366 CarbonylContact C-O 3.53Å; T258-L366 VanDerWaalsContact CA-O 3.27Å; T258-L366 WeakPolarHBondContact CA-O 3.31Å
259F94.3Very high88.3Confident10 Ų1033.7 Ų33.74%0.04419%0.19CC..BIsolated β-bridgetrans-112.3132-178.1-51.7-68.3000110.8V210 I212 Q257 Y264 W266 L336 P365 L366 P368V210-F259 HydrophobicContact CG2-CE1 4.36Å; V210-F259 HydrophobicContact CG2-CZ 4.17Å; I212-F259 HydrophobicContact CD1-CZ 3.97Å; Q257-F259 HydrophobicContact CB-CE1 4.27Å; Q257-F259 HydrophobicContact CB-CE2 4.46Å; Q257-F259 HydrophobicContact CB-CZ 3.94Å; F259-Y264 HydrophobicContact CB-CD2 4.15Å; F259-Y264 HydrophobicContact CB-CE2 3.93Å; F259-Y264 AromaticContact CD1-CD1 3.74Å; F259-Y264 HydrophobicContact CD1-CD1 3.74Å; F259-Y264 AromaticContact CD1-CD2 3.57Å; F259-Y264 HydrophobicContact CD1-CD2 3.57Å; F259-Y264 AromaticContact CD1-CE1 3.75Å; F259-Y264 HydrophobicContact CD1-CE1 3.75Å; F259-Y264 AromaticContact CD1-CE2 3.59Å; F259-Y264 HydrophobicContact CD1-CE2 3.59Å; F259-Y264 AromaticContact CD1-CG 3.63Å; F259-Y264 HydrophobicContact CD1-CG 3.63Å; F259-Y264 AromaticContact CD1-CZ 3.68Å; F259-Y264 AromaticContact CE1-CD1 3.63Å; F259-Y264 HydrophobicContact CE1-CD1 3.63Å; F259-Y264 HydrophobicContact CE1-CD2 4.12Å; F259-Y264 AromaticContact CE1-CE1 3.97Å; F259-Y264 HydrophobicContact CE1-CE1 3.97Å; F259-Y264 HydrophobicContact CE1-CE2 4.44Å; F259-Y264 AromaticContact CE1-CG 3.69Å; F259-Y264 HydrophobicContact CE1-CG 3.69Å; F259-Y264 AromaticContact CG-CD2 3.93Å; F259-Y264 HydrophobicContact CG-CD2 3.93Å; F259-Y264 HydrophobicContact CG-CE2 4.04Å; F259-Y264 HydrophobicContact CG-CG 4.31Å; F259-Y264 HydrophobicContact CZ-CG 4.41Å; F259-W266 AromaticContact CE2-CH2 3.9Å; F259-W266 HydrophobicContact CE2-CH2 3.9Å; F259-W266 AromaticContact CE2-CZ3 3.78Å; F259-W266 HydrophobicContact CE2-CZ3 3.78Å; F259-W266 HydrophobicContact CZ-CZ3 4.04Å; F259-L336 HydrophobicContact CB-CD2 3.93Å; F259-L336 HydrophobicContact CD2-CD2 3.73Å; F259-L336 HydrophobicContact CE2-CD2 4.48Å; F259-L336 HydrophobicContact CG-CD2 3.96Å; F259-P365 WeakPolarHBondContact O-CA 3.4Å; F259-L366 HydrophobicContact CB-CB 4.43Å; F259-L366 PolarHBondContact N-O 3.13Å; F259-L366 PolarHBondContact O-N 3.42Å; F259-P368 HydrophobicContact CE2-CG 3.82Å
260T93.3Very high89.1Confident89 Ų8931.8 Ų31.855%0.54618%0.178SC..SBendtrans-116.5-30.1-180520000113.8P364 P365T260-P364 HydrophobicContact CG2-CB 4.49Å; T260-P365 HydrophobicContact CG2-CB 3.97Å
261S95.2Very high89.1Confident65 Ų6531.7 Ų31.746%0.45518%0.182SC..SBendtrans-161.9160.1-178.9550000108.5Y264S261-Y264 WeakPolarHBondContact O-CE2 3.5Å; S261-Y264 VanDerWaalsContact O-CZ 3.23Å; S261-Y264 PolarHBondContact O-OH 2.98Å
262G96.1Very high88.7Confident19 Ų1933.8 Ų33.820%0.19620%0.195CC..SBendtrans98.7-174.5177.800000114.4C338 E339G262-C338 VanDerWaalsContact O-CB 3.27Å; G262-C338 WeakPolarHBondContact O-CB 3.43Å; G262-C338 PolarHBondContact O-N 3.12Å; G262-C338 PolarHBondContact O-SG 3.2Å; G262-E339 VanDerWaalsContact C-OE2 3.26Å; G262-E339 VanDerWaalsContact CA-OE1 3.3Å; G262-E339 WeakPolarHBondContact CA-OE1 3.49Å; G262-E339 VanDerWaalsContact CA-OE2 3.24Å; G262-E339 WeakPolarHBondContact CA-OE2 3.21Å; G262-E339 VanDerWaalsContact N-CD 3.34Å; G262-E339 PolarHBondContact N-OE1 2.91Å; G262-E339 PolarHBondContact N-OE2 2.79Å
263K97.6Very high87.9Confident87 Ų8736.5 Ų36.538%0.37822%0.215SC..EExtended strand (participates in β ladder)trans-116135-179.1-52.6-171.3-170.9-147.40110.8F208 F335 L336 D337F208-K263 HydrophobicContact CD1-CB 3.67Å; F208-K263 HydrophobicContact CE1-CB 3.97Å; F208-K263 HydrophobicContact CE1-CD 4.2Å; F208-K263 HydrophobicContact CG-CB 4.18Å; F208-K263 HydrophobicContact CZ-CD 4.38Å; K263-F335 HydrophobicContact CB-CE2 4.09Å; K263-F335 HydrophobicContact CB-CZ 4Å; K263-F335 HydrophobicContact CD-CZ 3.96Å; K263-F335 HydrophobicContact CG-CZ 4.4Å; K263-L336 CarbonylContact C-O 3.58Å; K263-L336 VanDerWaalsContact CA-O 3.25Å; K263-L336 WeakPolarHBondContact CA-O 3.31Å; K263-D337 WeakPolarHBondContact CD-OD2 3.15Å; K263-D337 WeakPolarHBondContact CE-OD2 3.37Å; K263-D337 HydrophobicContact CG-CB 4.47Å; K263-D337 IonicContact NZ-OD1 2.78Å; K263-D337 IonicContact NZ-OD2 3.34Å; K263-D337 PolarHBondContact NZ-OD2 2.89Å
264Y97.4Very high87.4Confident56 Ų5637.6 Ų37.622%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-140.3142.7-172.4-55.8-79.3000111F208 V210 F259 S261 F335 L336F208-Y264 CarbonylContact O-C 3.58Å; V210-Y264 HydrophobicContact CG1-CD1 3.75Å; V210-Y264 HydrophobicContact CG1-CE1 4.48Å; V210-Y264 HydrophobicContact CG2-CD1 4.48Å; F259-Y264 HydrophobicContact CB-CD2 4.15Å; F259-Y264 HydrophobicContact CB-CE2 3.93Å; F259-Y264 AromaticContact CD1-CD1 3.74Å; F259-Y264 HydrophobicContact CD1-CD1 3.74Å; F259-Y264 AromaticContact CD1-CD2 3.57Å; F259-Y264 HydrophobicContact CD1-CD2 3.57Å; F259-Y264 AromaticContact CD1-CE1 3.75Å; F259-Y264 HydrophobicContact CD1-CE1 3.75Å; F259-Y264 AromaticContact CD1-CE2 3.59Å; F259-Y264 HydrophobicContact CD1-CE2 3.59Å; F259-Y264 AromaticContact CD1-CG 3.63Å; F259-Y264 HydrophobicContact CD1-CG 3.63Å; F259-Y264 AromaticContact CD1-CZ 3.68Å; F259-Y264 AromaticContact CE1-CD1 3.63Å; F259-Y264 HydrophobicContact CE1-CD1 3.63Å; F259-Y264 HydrophobicContact CE1-CD2 4.12Å; F259-Y264 AromaticContact CE1-CE1 3.97Å; F259-Y264 HydrophobicContact CE1-CE1 3.97Å; F259-Y264 HydrophobicContact CE1-CE2 4.44Å; F259-Y264 AromaticContact CE1-CG 3.69Å; F259-Y264 HydrophobicContact CE1-CG 3.69Å; F259-Y264 AromaticContact CG-CD2 3.93Å; F259-Y264 HydrophobicContact CG-CD2 3.93Å; F259-Y264 HydrophobicContact CG-CE2 4.04Å; F259-Y264 HydrophobicContact CG-CG 4.31Å; F259-Y264 HydrophobicContact CZ-CG 4.41Å; S261-Y264 WeakPolarHBondContact O-CE2 3.5Å; S261-Y264 VanDerWaalsContact O-CZ 3.23Å; S261-Y264 PolarHBondContact O-OH 2.98Å; Y264-F335 CarbonylContact O-C 3.56Å; Y264-F335 WeakPolarHBondContact O-CA 3.42Å; Y264-F335 WeakPolarHBondContact O-CD2 3.32Å; Y264-L336 HydrophobicContact CD2-CD2 4.11Å; Y264-L336 PolarHBondContact N-O 3.37Å; Y264-L336 PolarHBondContact O-N 3.34Å
265Y96.5Very high87.2Confident2 Ų237.4 Ų37.41%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-132.4135.4177.8179.1-113.5000111.1L205 F208 R209 V210 E267 L334 F335 V346L205-Y265 HydrophobicContact CB-CD1 4.01Å; L205-Y265 HydrophobicContact CB-CD2 3.99Å; L205-Y265 HydrophobicContact CB-CE1 4.02Å; L205-Y265 HydrophobicContact CB-CE2 4.01Å; L205-Y265 HydrophobicContact CB-CG 3.98Å; L205-Y265 HydrophobicContact CD1-CD2 4.34Å; L205-Y265 HydrophobicContact CD1-CE2 3.82Å; L205-Y265 HydrophobicContact CD2-CD2 4.26Å; L205-Y265 HydrophobicContact CG-CD2 4.43Å; L205-Y265 HydrophobicContact CG-CE2 4.35Å; L205-Y265 WeakPolarHBondContact O-CB 3.31Å; L205-Y265 WeakPolarHBondContact O-CD1 3.45Å; F208-Y265 PolarHBondContact O-N 3.5Å; R209-Y265 CarbonylContact C-O 3.52Å; R209-Y265 VanDerWaalsContact CA-O 3.29Å; R209-Y265 WeakPolarHBondContact CA-O 2.92Å; R209-Y265 HydrophobicContact CB-CD1 4.42Å; R209-Y265 HydrophobicContact CG-CD1 4.47Å; V210-Y265 PolarHBondContact N-O 3.23Å; Y265-E267 HydrophobicContact CE1-CG 3.75Å; Y265-E267 WeakPolarHBondContact OH-CG 2.97Å; Y265-E267 PolarHBondContact OH-OE1 3.02Å; Y265-L334 WeakPolarHBondContact CA-O 3.39Å; Y265-L334 VanDerWaalsContact CD2-O 3.24Å; Y265-L334 WeakPolarHBondContact CD2-O 3.35Å; Y265-F335 HydrophobicContact CD2-CB 4.16Å; Y265-V346 HydrophobicContact CE2-CG2 4.13Å
266W94.8Very high87.1Confident2 Ų237.5 Ų37.51%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-146.4159.9167.564.194000111.4V210 I212 F259 V280 G333 L334 L336 P368V210-W266 HydrophobicContact CG2-CB 4.5Å; V210-W266 HydrophobicContact CG2-CE3 4.05Å; I212-W266 HydrophobicContact CD1-CB 4.44Å; I212-W266 HydrophobicContact CD1-CD2 4.01Å; I212-W266 HydrophobicContact CD1-CE3 4.19Å; I212-W266 HydrophobicContact CD1-CG 4.15Å; I212-W266 HydrophobicContact CG1-CB 3.79Å; I212-W266 HydrophobicContact CG1-CD2 3.86Å; I212-W266 HydrophobicContact CG1-CG 3.51Å; F259-W266 AromaticContact CE2-CH2 3.9Å; F259-W266 HydrophobicContact CE2-CH2 3.9Å; F259-W266 AromaticContact CE2-CZ3 3.78Å; F259-W266 HydrophobicContact CE2-CZ3 3.78Å; F259-W266 HydrophobicContact CZ-CZ3 4.04Å; W266-V280 HydrophobicContact CH2-CG1 3.52Å; W266-V280 HydrophobicContact CZ2-CG1 3.87Å; W266-G333 CarbonylContact O-C 3.55Å; W266-G333 WeakPolarHBondContact O-CA 3.26Å; W266-L334 HydrophobicContact CD2-CD2 4.42Å; W266-L334 HydrophobicContact CE3-CD2 4.24Å; W266-L334 HydrophobicContact CH2-CD1 4.22Å; W266-L334 HydrophobicContact CH2-CD2 3.29Å; W266-L334 HydrophobicContact CH2-CG 4.29Å; W266-L334 HydrophobicContact CZ2-CB 4.3Å; W266-L334 HydrophobicContact CZ2-CD1 3.63Å; W266-L334 HydrophobicContact CZ2-CD2 3.5Å; W266-L334 VanDerWaalsContact CZ2-CD2 3.5Å; W266-L334 HydrophobicContact CZ2-CG 4.01Å; W266-L334 HydrophobicContact CZ3-CD2 3.69Å; W266-L334 PolarHBondContact N-O 3.12Å; W266-L334 PolarHBondContact O-N 2.83Å; W266-L336 HydrophobicContact CH2-CB 4.47Å; W266-L336 HydrophobicContact CZ3-CB 4.25Å; W266-P368 HydrophobicContact CZ2-CB 4.22Å; W266-P368 HydrophobicContact CZ2-CG 4.33Å
267E93.3Very high87.1Confident9 Ų935.4 Ų35.44%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-113140-177.8-63.6173.2168.500109.5R202 R209 S231 I232 Y265 V348R202-E267 IonicContact NE-OE1 3.96Å; R209-E267 IonicContact CZ-OE2 3.44Å; R209-E267 IonicContact NH1-OE1 3.71Å; R209-E267 IonicContact NH1-OE2 3.44Å; R209-E267 PolarHBondContact NH1-OE2 3.19Å; R209-E267 IonicContact NH2-OE2 2.69Å; R209-E267 PolarHBondContact NH2-OE2 3.44Å; S231-E267 VanDerWaalsContact CA-O 3.28Å; S231-E267 WeakPolarHBondContact CA-O 3.39Å; S231-E267 WeakPolarHBondContact CB-O 3.35Å; I232-E267 PolarHBondContact N-O 3.05Å; Y265-E267 HydrophobicContact CE1-CG 3.75Å; Y265-E267 WeakPolarHBondContact OH-CG 2.97Å; Y265-E267 PolarHBondContact OH-OE1 3.02Å; E267-V348 HydrophobicContact CG-CG2 4.09Å
268V90.6Very high87.2Confident0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-120.2126.6176.3-177.80000108.3I232 I234 V270 F278 H331 V332 F370I232-V268 CarbonylContact O-C 3.59Å; I232-V268 WeakPolarHBondContact O-CA 3.38Å; I232-V268 WeakPolarHBondContact O-CG1 3.44Å; I234-V268 HydrophobicContact CD1-CG1 3.56Å; I234-V268 HydrophobicContact CG1-CG1 3.72Å; V268-V270 HydrophobicContact CG1-CG1 4.1Å; V268-V270 PolarHBondContact O-N 2.99Å; V268-F278 HydrophobicContact CB-CD1 4.37Å; V268-F278 HydrophobicContact CB-CD2 4.32Å; V268-F278 HydrophobicContact CB-CE1 4.09Å; V268-F278 HydrophobicContact CB-CE2 4.01Å; V268-F278 HydrophobicContact CB-CG 4.47Å; V268-F278 HydrophobicContact CB-CZ 3.89Å; V268-F278 HydrophobicContact CG1-CD1 4.25Å; V268-F278 HydrophobicContact CG1-CE1 4.35Å; V268-F278 HydrophobicContact CG1-CG 4.44Å; V268-F278 HydrophobicContact CG2-CD1 4.46Å; V268-F278 HydrophobicContact CG2-CD2 3.6Å; V268-F278 HydrophobicContact CG2-CE1 4.39Å; V268-F278 HydrophobicContact CG2-CE2 3.49Å; V268-F278 VanDerWaalsContact CG2-CE2 3.49Å; V268-F278 HydrophobicContact CG2-CG 4.08Å; V268-F278 HydrophobicContact CG2-CZ 3.92Å; V268-H331 WeakPolarHBondContact O-CA 3.46Å; V268-V332 PolarHBondContact N-O 2.95Å; V268-V332 PolarHBondContact O-N 3.34Å; V268-F370 HydrophobicContact CG2-CD1 4.28Å; V268-F370 HydrophobicContact CG2-CE1 3.71Å
269H88.3Confident87.2Confident57 Ų5729.2 Ų29.226%0.26417%0.168SC..EExtended strand (participates in β ladder)trans-78.8117.2170.5-178.470.9000109.2I232 I234 N330 H331I232-H269 PolarHBondContact O-N 3.07Å; I234-H269 PolarHBondContact N-O 2.75Å; H269-N330 CarbonylContact C-O 3.6Å; H269-N330 VanDerWaalsContact CA-O 3.26Å; H269-N330 WeakPolarHBondContact CA-O 3.28Å; H269-N330 PolarHBondContact CE1-OD1 3.39Å; H269-N330 PolarHBondContact ND1-O 2.82Å; H269-N330 VanDerWaalsContact ND1-O 3.11Å; H269-N330 PolarHBondContact ND1-OD1 3.43Å; H269-H331 AromaticContact ND1-CE1 3.63Å; H269-H331 AromaticContact ND1-NE2 3.93Å
270V81.7Confident87.1Confident0 Ų028.8 Ų28.80%017%0.166CC..EExtended strand (participates in β ladder)trans-109.6117.4-178.8-66.20000108.8V268 W276 F278 N330 V332V268-V270 HydrophobicContact CG1-CG1 4.1Å; V268-V270 PolarHBondContact O-N 2.99Å; V270-W276 HydrophobicContact CB-CD2 4.11Å; V270-W276 HydrophobicContact CB-CG 4.43Å; V270-W276 HydrophobicContact CB-CZ2 3.93Å; V270-W276 HydrophobicContact CG1-CD2 3.73Å; V270-W276 HydrophobicContact CG1-CE3 3.96Å; V270-W276 HydrophobicContact CG1-CG 4.27Å; V270-W276 HydrophobicContact CG1-CH2 4.15Å; V270-W276 HydrophobicContact CG1-CZ2 3.9Å; V270-W276 HydrophobicContact CG1-CZ3 4.18Å; V270-W276 HydrophobicContact CG2-CZ2 3.86Å; V270-F278 HydrophobicContact CG1-CE1 4.18Å; V270-N330 PolarHBondContact N-O 3.2Å; V270-V332 HydrophobicContact CG1-CG2 4.37Å; V270-V332 HydrophobicContact CG2-CG2 3.76Å
271G69.6Low86.9Confident24 Ų2424.8 Ų24.825%0.24714%0.141CC..  trans-75.1167.4177.900000113.1I234 R327I234-G271 PolarHBondContact O-N 3.31Å; G271-R327 PolarHBondContact O-NH2 3.49Å
272D66.8Low86.6Confident86 Ų8622.4 Ų22.446%0.4612%0.124SC..SBendtrans-85.1-10.2-175.8-66.5-34000115.1K307D272-K307 PolarHBondContact O-NZ 2.97Å; D272-K307 VanDerWaalsContact O-NZ 3.09Å
273S63.1Low85.7Confident72 Ų7227 Ų2750%0.50314%0.138SC..SBendtrans-101.4-21-163.1-57.70000114.3
274W72.4Confident84.3Confident22 Ų2230.3 Ų30.38%0.08315%0.149CC..SBendtrans-122.1157.8-169.8-66.743.5000111.4H222 C236 I244 F251 R327 C372 H374H222-W274 HydrophobicContact CB-CZ3 4.46Å; H222-W274 AromaticContact CE1-CH2 3.37Å; H222-W274 WeakPolarHBondContact CE1-CH2 3.43Å; H222-W274 AromaticContact CE1-CZ2 3.99Å; H222-W274 AromaticContact CG-CH2 3.97Å; H222-W274 AromaticContact ND1-CH2 3.08Å; H222-W274 WeakPolarHBondContact ND1-CH2 3.1Å; H222-W274 AromaticContact ND1-CZ2 3.69Å; H222-W274 AromaticContact ND1-CZ3 3.57Å; C236-W274 HydrophobicContact CB-CH2 4.46Å; C236-W274 HydrophobicContact CB-CZ2 3.68Å; I244-W274 HydrophobicContact CD1-CZ2 4.19Å; F251-W274 HydrophobicContact CD2-CH2 4.44Å; F251-W274 AromaticContact CD2-CZ3 3.7Å; F251-W274 HydrophobicContact CD2-CZ3 3.7Å; F251-W274 AromaticContact CE2-CH2 3.94Å; F251-W274 HydrophobicContact CE2-CH2 3.94Å; F251-W274 AromaticContact CE2-CZ3 3.6Å; F251-W274 HydrophobicContact CE2-CZ3 3.6Å; W274-R327 PolarHBondContact O-NH2 2.88Å; W274-C372 WeakPolarHBondContact CB-SG 3.37Å; W274-C372 HydrophobicContact CE3-CB 4.13Å; W274-H374 HydrophobicContact CD2-CB 4.03Å; W274-H374 AromaticContact CD2-CD2 4Å; W274-H374 AromaticContact CE2-CD2 3.45Å; W274-H374 VanDerWaalsContact CE2-CD2 3.45Å; W274-H374 HydrophobicContact CE3-CB 3.65Å; W274-H374 HydrophobicContact CH2-CB 3.61Å; W274-H374 AromaticContact CH2-CD2 3.95Å; W274-H374 HydrophobicContact CZ2-CB 3.99Å; W274-H374 AromaticContact CZ2-CD2 3.42Å; W274-H374 VanDerWaalsContact CZ2-CD2 3.42Å; W274-H374 WeakPolarHBondContact CZ2-CD2 2.91Å; W274-H374 HydrophobicContact CZ3-CB 3.47Å; W274-H374 VanDerWaalsContact CZ3-CB 3.47Å; W274-H374 AromaticContact NE1-CD2 3.73Å
275N81.1Confident82.9Confident12 Ų1228.2 Ų28.26%0.06414%0.141CC..EExtended strand (participates in β ladder)trans-72.6137.4163.9-67.6-16.7000107.9C305 V306 K307 C372 V373 L375N275-C305 WeakPolarHBondContact CA-O 2.93Å; N275-V306 WeakPolarHBondContact OD1-CA 3.41Å; N275-K307 PolarHBondContact OD1-N 3.32Å; N275-C372 CarbonylContact O-C 3.59Å; N275-C372 WeakPolarHBondContact O-CA 3.29Å; N275-C372 PolarHBondContact O-SG 3.31Å; N275-C372 VanDerWaalsContact O-SG 3.35Å; N275-V373 HydrophobicContact CB-CB 4.25Å; N275-V373 PolarHBondContact N-O 3.11Å; N275-V373 PolarHBondContact O-N 2.91Å; N275-L375 WeakPolarHBondContact ND2-CD1 3.37Å
276W85.8Confident81.3Confident2 Ų235.7 Ų35.71%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-142.9153.1-17854.8-99.2000110.6I234 V270 F278 L303 G304 C305 L314 V332 C371I234-W276 HydrophobicContact CG2-CB 3.73Å; V270-W276 HydrophobicContact CB-CD2 4.11Å; V270-W276 HydrophobicContact CB-CG 4.43Å; V270-W276 HydrophobicContact CB-CZ2 3.93Å; V270-W276 HydrophobicContact CG1-CD2 3.73Å; V270-W276 HydrophobicContact CG1-CE3 3.96Å; V270-W276 HydrophobicContact CG1-CG 4.27Å; V270-W276 HydrophobicContact CG1-CH2 4.15Å; V270-W276 HydrophobicContact CG1-CZ2 3.9Å; V270-W276 HydrophobicContact CG1-CZ3 4.18Å; V270-W276 HydrophobicContact CG2-CZ2 3.86Å; W276-F278 AromaticContact CE3-CD1 3.81Å; W276-F278 HydrophobicContact CE3-CD1 3.81Å; W276-F278 HydrophobicContact CE3-CE1 4.06Å; W276-F278 HydrophobicContact CH2-CE1 4.33Å; W276-F278 AromaticContact CZ3-CD1 3.76Å; W276-F278 HydrophobicContact CZ3-CD1 3.76Å; W276-F278 AromaticContact CZ3-CE1 3.59Å; W276-F278 HydrophobicContact CZ3-CE1 3.59Å; W276-L303 HydrophobicContact CH2-CD2 4.2Å; W276-L303 HydrophobicContact CZ3-CD2 4.31Å; W276-L303 HydrophobicContact CZ3-CG 4.41Å; W276-G304 CarbonylContact O-C 3.59Å; W276-G304 VanDerWaalsContact O-CA 3.27Å; W276-G304 WeakPolarHBondContact O-CA 3.38Å; W276-C305 HydrophobicContact CD2-CB 3.65Å; W276-C305 HydrophobicContact CE3-CB 4.12Å; W276-C305 HydrophobicContact CG-CB 4.2Å; W276-C305 HydrophobicContact CH2-CB 3.85Å; W276-C305 HydrophobicContact CZ2-CB 3.36Å; W276-C305 HydrophobicContact CZ3-CB 4.2Å; W276-C305 PolarHBondContact N-O 3.47Å; W276-C305 VanDerWaalsContact N-O 3.13Å; W276-C305 PolarHBondContact O-N 2.82Å; W276-L314 HydrophobicContact CH2-CD2 3.96Å; W276-L314 HydrophobicContact CZ2-CD2 4.17Å; W276-V332 HydrophobicContact CH2-CG2 4.07Å; W276-V332 HydrophobicContact CZ2-CG2 4.47Å; W276-C371 VanDerWaalsContact CA-O 3.28Å; W276-C371 WeakPolarHBondContact CA-O 3.44Å
277A87.9Confident79.4Confident0 Ų035.9 Ų35.90%018%0.176CC..EExtended strand (participates in β ladder)trans-149145.3164.500000110.2F171 L175 L303 F370 C371F171-A277 HydrophobicContact CE1-CB 3.8Å; F171-A277 HydrophobicContact CZ-CB 3.7Å; L175-A277 HydrophobicContact CD2-CB 3.88Å; A277-L303 CarbonylContact C-O 3.58Å; A277-L303 VanDerWaalsContact CA-O 3.25Å; A277-L303 WeakPolarHBondContact CA-O 3.48Å; A277-F370 CarbonylContact O-C 3.51Å; A277-C371 PolarHBondContact N-O 3.06Å; A277-C371 PolarHBondContact O-N 3.26Å
278F91.6Very high77.4Confident0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-150.4157.3175.473.7-84.9000111.4I234 V268 V270 W276 S302 L303 V332 L334 F345 I369 F370I234-F278 HydrophobicContact CD1-CB 4.04Å; I234-F278 HydrophobicContact CD1-CD1 4.27Å; I234-F278 HydrophobicContact CD1-CG 4.44Å; V268-F278 HydrophobicContact CB-CD1 4.37Å; V268-F278 HydrophobicContact CB-CD2 4.32Å; V268-F278 HydrophobicContact CB-CE1 4.09Å; V268-F278 HydrophobicContact CB-CE2 4.01Å; V268-F278 HydrophobicContact CB-CG 4.47Å; V268-F278 HydrophobicContact CB-CZ 3.89Å; V268-F278 HydrophobicContact CG1-CD1 4.25Å; V268-F278 HydrophobicContact CG1-CE1 4.35Å; V268-F278 HydrophobicContact CG1-CG 4.44Å; V268-F278 HydrophobicContact CG2-CD1 4.46Å; V268-F278 HydrophobicContact CG2-CD2 3.6Å; V268-F278 HydrophobicContact CG2-CE1 4.39Å; V268-F278 HydrophobicContact CG2-CE2 3.49Å; V268-F278 VanDerWaalsContact CG2-CE2 3.49Å; V268-F278 HydrophobicContact CG2-CG 4.08Å; V268-F278 HydrophobicContact CG2-CZ 3.92Å; V270-F278 HydrophobicContact CG1-CE1 4.18Å; W276-F278 AromaticContact CE3-CD1 3.81Å; W276-F278 HydrophobicContact CE3-CD1 3.81Å; W276-F278 HydrophobicContact CE3-CE1 4.06Å; W276-F278 HydrophobicContact CH2-CE1 4.33Å; W276-F278 AromaticContact CZ3-CD1 3.76Å; W276-F278 HydrophobicContact CZ3-CD1 3.76Å; W276-F278 AromaticContact CZ3-CE1 3.59Å; W276-F278 HydrophobicContact CZ3-CE1 3.59Å; F278-S302 WeakPolarHBondContact O-CA 3.43Å; F278-S302 VanDerWaalsContact O-CB 3.32Å; F278-S302 WeakPolarHBondContact O-CB 3.42Å; F278-L303 PolarHBondContact N-O 3.5Å; F278-L303 PolarHBondContact O-N 3.01Å; F278-V332 HydrophobicContact CE1-CB 3.87Å; F278-V332 HydrophobicContact CE1-CG1 3.98Å; F278-V332 HydrophobicContact CZ-CB 3.64Å; F278-V332 HydrophobicContact CZ-CG1 3.54Å; F278-L334 HydrophobicContact CD2-CD1 4.24Å; F278-L334 HydrophobicContact CE2-CB 3.9Å; F278-L334 HydrophobicContact CE2-CD1 4.24Å; F278-F345 HydrophobicContact CE2-CD1 4.48Å; F278-F345 HydrophobicContact CE2-CE1 4.37Å; F278-F345 HydrophobicContact CZ-CD1 4.44Å; F278-I369 CarbonylContact C-O 3.51Å; F278-I369 WeakPolarHBondContact CA-O 3.36Å; F278-I369 WeakPolarHBondContact CB-O 3.45Å; F278-F370 HydrophobicContact CB-CD1 3.61Å; F278-F370 HydrophobicContact CB-CE1 4.23Å; F278-F370 HydrophobicContact CB-CG 4.44Å; F278-F370 HydrophobicContact CD2-CE1 4.43Å; F278-F370 HydrophobicContact CG-CD1 4.35Å
279G93.1Very high75.3Confident0 Ų041.2 Ų41.20%021%0.207CC..EExtended strand (participates in β ladder)trans177.9-151.3-172.900000112.7F301 P368 I369G279-F301 VanDerWaalsContact CA-O 3.25Å; G279-F301 WeakPolarHBondContact CA-O 3.26Å; G279-P368 WeakPolarHBondContact O-CA 3.39Å; G279-I369 PolarHBondContact N-O 3.49Å; G279-I369 PolarHBondContact O-N 2.86Å
280V93.1Very high73.2Confident0 Ų048 Ų480%024%0.239CC..EExtended strand (participates in β ladder)trans-125.7145.5170.7-660000110.4W266 F301 L336 V343 R367W266-V280 HydrophobicContact CH2-CG1 3.52Å; W266-V280 HydrophobicContact CZ2-CG1 3.87Å; V280-F301 HydrophobicContact CG2-CB 4.09Å; V280-F301 HydrophobicContact CG2-CD2 4.32Å; V280-F301 PolarHBondContact N-O 2.98Å; V280-F301 PolarHBondContact O-N 3.02Å; V280-L336 HydrophobicContact CG1-CD2 4.41Å; V280-L336 HydrophobicContact CG2-CD1 4.36Å; V280-V343 HydrophobicContact CG2-CG2 3.74Å; V280-R367 WeakPolarHBondContact CA-O 3.43Å
281C89.8Confident71.3Confident5 Ų554.7 Ų54.73%0.03428%0.275CS..EExtended strand (participates in β ladder)trans-126153.6171.170.20000111.6W285 G299 L300 L366 R367 I369C281-W285 HydrophobicContact CB-CB 4.23Å; C281-W285 HydrophobicContact CB-CG 4.42Å; C281-G299 CarbonylContact C-O 3.53Å; C281-G299 WeakPolarHBondContact CA-O 2.98Å; C281-L300 HydrophobicContact CB-CD1 4.01Å; C281-L366 WeakPolarHBondContact O-CA 3.03Å; C281-R367 PolarHBondContact N-O 3.31Å; C281-R367 PolarHBondContact O-N 3.38Å; C281-I369 HydrophobicContact CB-CG2 4.45Å
282N88.8Confident69.9Low15 Ų1556.2 Ų56.28%0.0829%0.29CS..EExtended strand (participates in β ladder)trans-59.6140.6165.5-69.4-19.8000109Y284 W285 G299 S361 S363 L366N282-Y284 PolarHBondContact O-N 3.17Å; N282-Y284 VanDerWaalsContact O-N 3.08Å; N282-W285 WeakPolarHBondContact O-CB 3.33Å; N282-W285 PolarHBondContact O-N 2.86Å; N282-G299 PolarHBondContact N-O 3.24Å; N282-G299 VanDerWaalsContact ND2-CA 3.27Å; N282-G299 WeakPolarHBondContact ND2-CA 3.33Å; N282-S361 PolarHBondContact ND2-O 3.43Å; N282-S363 PolarHBondContact ND2-N 3.13Å; N282-S363 PolarHBondContact OD1-N 3.3Å; N282-L366 WeakPolarHBondContact OD1-CD2 3.4Å
283K76.5Confident68.5Low115 Ų11557.3 Ų57.350%0.530%0.296SS..THydrogen-bonded Turntrans-56.1-30-179.6176171.4177.7178.90113.7P365K283-P365 HydrophobicContact CB-CG 3.94Å; K283-P365 VanDerWaalsContact CB-O 3.22Å; K283-P365 WeakPolarHBondContact CB-O 3.43Å; K283-P365 HydrophobicContact CD-CG 3.46Å; K283-P365 VanDerWaalsContact CD-CG 3.46Å; K283-P365 HydrophobicContact CG-CG 4.34Å; K283-P365 PolarHBondContact N-O 3.27Å
284Y67.4Low67.5Low157 Ų15758.3 Ų58.362%0.61630%0.295SS*.THydrogen-bonded Turntrans-102.218.7-179.4-52.6-69.8000113.6N282 K286N282-Y284 PolarHBondContact O-N 3.17Å; N282-Y284 VanDerWaalsContact O-N 3.08Å; Y284-K286 PolarHBondContact O-N 2.94Å; Y284-K286 VanDerWaalsContact O-N 3.1Å
285W69.8Low66.1Low12 Ų1264 Ų645%0.04532%0.322CS..  trans-51.2116.4175169.7-114.7000110.8H167 I174 C281 N282 G296 E297 E298 L300H167-W285 PolarHBondContact CD2-O 3.29Å; H167-W285 PolarHBondContact CE1-O 2.94Å; H167-W285 PolarHBondContact NE2-O 3.5Å; I174-W285 HydrophobicContact CD1-CZ2 4.43Å; C281-W285 HydrophobicContact CB-CB 4.23Å; C281-W285 HydrophobicContact CB-CG 4.42Å; N282-W285 WeakPolarHBondContact O-CB 3.33Å; N282-W285 PolarHBondContact O-N 2.86Å; W285-G296 WeakPolarHBondContact CH2-O 3.22Å; W285-G296 WeakPolarHBondContact CZ2-O 3.33Å; W285-E297 VanDerWaalsContact CH2-C 3.41Å; W285-E297 VanDerWaalsContact CH2-CA 3.46Å; W285-E298 WeakPolarHBondContact CZ3-O 3.37Å; W285-L300 HydrophobicContact CD2-CB 4.34Å; W285-L300 HydrophobicContact CH2-CB 3.9Å; W285-L300 HydrophobicContact CZ2-CB 3.72Å; W285-L300 HydrophobicContact CZ2-CD2 4.22Å; W285-L300 HydrophobicContact CZ3-CB 4.46Å
286K61.6Low64.5Low160 Ų16063.7 Ų63.770%0.69632%0.321SS*.  trans-108.995.6174.9-70.5179.5-177.6178.90107.7Y284 T288Y284-K286 PolarHBondContact O-N 2.94Å; Y284-K286 VanDerWaalsContact O-N 3.1Å; K286-T288 PolarHBondContact O-N 2.94Å
287G54.7Low63.1Low5 Ų567 Ų675%0.05234%0.337CS..SBendtrans-59.9-15.2-176.100000115.1A170A170-G287 VanDerWaalsContact CB-C 3.5Å; A170-G287 VanDerWaalsContact CB-CA 3.45Å
288T51Low61.9Low62 Ų6274 Ų7438%0.3837%0.37SS..SBendtrans-143.7137.2171.150.30000110.4A170 K286A170-T288 HydrophobicContact CB-CG2 4.17Å; K286-T288 PolarHBondContact O-N 2.94Å
289N47.4Very low61.3Low60 Ų6074 Ų7432%0.32137%0.37SS..  trans-78.1162.5166.364.422.9000110.7N291 G292 N293N289-N291 PolarHBondContact O-N 3.18Å; N289-N291 PolarHBondContact OD1-N 3.13Å; N289-G292 PolarHBondContact O-N 3.36Å; N289-G292 VanDerWaalsContact O-N 3.14Å; N289-G292 PolarHBondContact OD1-N 3.5Å; N289-N293 PolarHBondContact ND2-O 2.95Å; N289-N293 PolarHBondContact OD1-N 3.42Å; N289-N293 PolarHBondContact OD1-O 3.39Å
290Q44.9Very low61Low200 Ų20074.1 Ų74.194%0.93537%0.37SS*.THydrogen-bonded Turntrans-60.7-9.6-179-70.2176.7-2.500113.9
291N40.7Very low60.9Low139 Ų13974.2 Ų74.274%0.74337%0.371SS*.THydrogen-bonded Turntrans-106.48.3-177.7-66.33.5000113.1N289 N293N289-N291 PolarHBondContact O-N 3.18Å; N289-N291 PolarHBondContact OD1-N 3.13Å; N291-N293 PolarHBondContact O-N 2.66Å; N291-N293 VanDerWaalsContact O-N 3.13Å
292G40.1Very low60.9Low56 Ų5674 Ų7458%0.57737%0.37SS*.SBendtrans704.5178.300000115.3N289N289-G292 PolarHBondContact O-N 3.36Å; N289-G292 VanDerWaalsContact O-N 3.14Å; N289-G292 PolarHBondContact OD1-N 3.5Å
293N37.2Very low61.1Low109 Ų10973.3 Ų73.358%0.58337%0.366SS*.  trans-82.9125175.3-93.7-6.4000110.3N289 N291 H295N289-N293 PolarHBondContact ND2-O 2.95Å; N289-N293 PolarHBondContact OD1-N 3.42Å; N289-N293 PolarHBondContact OD1-O 3.39Å; N291-N293 PolarHBondContact O-N 2.66Å; N291-N293 VanDerWaalsContact O-N 3.13Å; N293-H295 PolarHBondContact O-N 3.45Å
294I42.6Very low61.6Low93 Ų9367.9 Ų67.948%0.47734%0.342SS..  trans-8091.3178.6-52.8127000108.2R177R177-I294 VanDerWaalsContact CZ-CD1 3.43Å; R177-I294 VanDerWaalsContact NH2-CD1 3.33Å
295H43.4Very low62.4Low143 Ų14360.4 Ų60.466%0.66231%0.313SS*.  trans-88.111.5148.6-76-78.5000110.8N293 E297 E298N293-H295 PolarHBondContact O-N 3.45Å; H295-E297 PolarHBondContact O-N 2.9Å; H295-E298 PolarHBondContact O-N 3.36Å
296G48.2Very low62.8Low4 Ų459.9 Ų59.94%0.04131%0.311CS..THydrogen-bonded Turntrans-76.143.4-164.900000115.9W285W285-G296 WeakPolarHBondContact CH2-O 3.22Å; W285-G296 WeakPolarHBondContact CZ2-O 3.33Å
297E54.9Low63.4Low71 Ų7156.5 Ų56.533%0.33230%0.296SS..THydrogen-bonded Turntrans-115.3-17.8160.7-72.4-167.9-163.500112.8W285 H295 G299 S318 L320W285-E297 VanDerWaalsContact CH2-C 3.41Å; W285-E297 VanDerWaalsContact CH2-CA 3.46Å; H295-E297 PolarHBondContact O-N 2.9Å; E297-G299 PolarHBondContact O-N 3.16Å; E297-S318 WeakPolarHBondContact O-CB 3.32Å; E297-S318 PolarHBondContact O-OG 3.31Å; E297-L320 PolarHBondContact OE2-N 3.25Å
298E63.4Low63.8Low149 Ų14958.4 Ų58.470%0.69631%0.305SS*.THydrogen-bonded Turntrans-70.592-176.6-70.7-172.7167.200115.7W285 H295W285-E298 WeakPolarHBondContact CZ3-O 3.37Å; H295-E298 PolarHBondContact O-N 3.36Å
299G78.7Confident64.1Low0 Ų063.7 Ų63.70%033%0.331CS..THydrogen-bonded Turntrans117.211.2173.900000115.5C281 N282 E297C281-G299 CarbonylContact C-O 3.53Å; C281-G299 WeakPolarHBondContact CA-O 2.98Å; N282-G299 PolarHBondContact N-O 3.24Å; N282-G299 VanDerWaalsContact ND2-CA 3.27Å; N282-G299 WeakPolarHBondContact ND2-CA 3.33Å; E297-G299 PolarHBondContact O-N 3.16Å
300L86.5Confident64.4Low1 Ų169 Ų691%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-112.3120166.6173.865.2000110.2F171 I174 C281 W285 T317 S318 I369F171-L300 HydrophobicContact CD2-CD1 4.38Å; F171-L300 HydrophobicContact CD2-CD2 3.68Å; F171-L300 HydrophobicContact CE2-CD1 3.81Å; F171-L300 HydrophobicContact CE2-CD2 3.48Å; F171-L300 VanDerWaalsContact CE2-CD2 3.48Å; F171-L300 HydrophobicContact CE2-CG 4.24Å; I174-L300 HydrophobicContact CD1-CD2 4.03Å; C281-L300 HydrophobicContact CB-CD1 4.01Å; W285-L300 HydrophobicContact CD2-CB 4.34Å; W285-L300 HydrophobicContact CH2-CB 3.9Å; W285-L300 HydrophobicContact CZ2-CB 3.72Å; W285-L300 HydrophobicContact CZ2-CD2 4.22Å; W285-L300 HydrophobicContact CZ3-CB 4.46Å; L300-T317 HydrophobicContact CD2-CG2 4.16Å; L300-T317 PolarHBondContact O-OG1 3.26Å; L300-S318 WeakPolarHBondContact O-CB 3.29Å; L300-S318 PolarHBondContact O-OG 3.41Å; L300-I369 HydrophobicContact CD1-CG2 3.82Å
301F91Very high65.5Low3 Ų364.6 Ų64.61%0.01334%0.337CS..EExtended strand (participates in β ladder)trans-123.496.3-177.7-49-80.2000108.5G279 V280 V343 I357 C360 F362G279-F301 VanDerWaalsContact CA-O 3.25Å; G279-F301 WeakPolarHBondContact CA-O 3.26Å; V280-F301 HydrophobicContact CG2-CB 4.09Å; V280-F301 HydrophobicContact CG2-CD2 4.32Å; V280-F301 PolarHBondContact N-O 2.98Å; V280-F301 PolarHBondContact O-N 3.02Å; F301-V343 HydrophobicContact CB-CB 4.4Å; F301-V343 HydrophobicContact CB-CG2 3.82Å; F301-V343 HydrophobicContact CG-CG2 4.48Å; F301-I357 HydrophobicContact CB-CD1 4.08Å; F301-I357 HydrophobicContact CD1-CG2 4.2Å; F301-C360 HydrophobicContact CD1-CB 3.79Å; F301-C360 VanDerWaalsContact CD1-SG 3.53Å; F301-C360 HydrophobicContact CD2-CB 4.42Å; F301-C360 HydrophobicContact CE1-CB 3.54Å; F301-C360 HydrophobicContact CE2-CB 4.21Å; F301-C360 HydrophobicContact CG-CB 4.22Å; F301-C360 HydrophobicContact CZ-CB 3.77Å; F301-F362 AromaticContact CD2-CD1 3.9Å; F301-F362 HydrophobicContact CD2-CD1 3.9Å; F301-F362 AromaticContact CD2-CE1 3.64Å; F301-F362 HydrophobicContact CD2-CE1 3.64Å; F301-F362 AromaticContact CE2-CD1 3.55Å; F301-F362 HydrophobicContact CE2-CD1 3.55Å; F301-F362 AromaticContact CE2-CE1 3.77Å; F301-F362 HydrophobicContact CE2-CE1 3.77Å; F301-F362 HydrophobicContact CG-CE1 4.15Å; F301-F362 HydrophobicContact CZ-CD1 4.12Å; F301-F362 HydrophobicContact CZ-CE1 4.38Å
302S91.1Very high66.9Low1 Ų159.5 Ų59.51%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-139.1158-168.764.90000112.5F278 T316 T317F278-S302 WeakPolarHBondContact O-CA 3.43Å; F278-S302 VanDerWaalsContact O-CB 3.32Å; F278-S302 WeakPolarHBondContact O-CB 3.42Å; S302-T316 CarbonylContact O-C 3.57Å; S302-T316 WeakPolarHBondContact O-CA 3.48Å; S302-T317 PolarHBondContact N-OG1 2.89Å; S302-T317 PolarHBondContact O-N 2.94Å; S302-T317 WeakPolarHBondContact OG-CG2 3.43Å; S302-T317 PolarHBondContact OG-OG1 3.34Å
303L91.1Very high68.7Low0 Ų058 Ų580%029%0.293CS..EExtended strand (participates in β ladder)trans-110.3128.4166.8-179.476.4000107.7W276 A277 F278 L314 F315 T316 V332 F345 I354W276-L303 HydrophobicContact CH2-CD2 4.2Å; W276-L303 HydrophobicContact CZ3-CD2 4.31Å; W276-L303 HydrophobicContact CZ3-CG 4.41Å; A277-L303 CarbonylContact C-O 3.58Å; A277-L303 VanDerWaalsContact CA-O 3.25Å; A277-L303 WeakPolarHBondContact CA-O 3.48Å; F278-L303 PolarHBondContact N-O 3.5Å; F278-L303 PolarHBondContact O-N 3.01Å; L303-L314 HydrophobicContact CD1-CB 4.32Å; L303-F315 CarbonylContact C-O 3.26Å; L303-F315 WeakPolarHBondContact CA-O 3.43Å; L303-T316 HydrophobicContact CD1-CG2 4Å; L303-V332 HydrophobicContact CD2-CG1 4Å; L303-F345 HydrophobicContact CB-CD1 3.46Å; L303-F345 VanDerWaalsContact CB-CD1 3.46Å; L303-F345 HydrophobicContact CB-CD2 3.98Å; L303-F345 HydrophobicContact CB-CE1 3.41Å; L303-F345 VanDerWaalsContact CB-CE1 3.41Å; L303-F345 HydrophobicContact CB-CE2 3.96Å; L303-F345 HydrophobicContact CB-CG 3.75Å; L303-F345 HydrophobicContact CB-CZ 3.69Å; L303-F345 HydrophobicContact CD2-CB 3.92Å; L303-F345 HydrophobicContact CD2-CD1 3.93Å; L303-F345 HydrophobicContact CD2-CG 3.96Å; L303-F345 HydrophobicContact CG-CD1 4.32Å; L303-F345 HydrophobicContact CG-CG 4.35Å; L303-F345 VanDerWaalsContact N-CZ 3.33Å; L303-I354 HydrophobicContact CD1-CG2 4.06Å; L303-I354 HydrophobicContact CD2-CD1 4.17Å; L303-I354 HydrophobicContact CD2-CG2 4.02Å
304G87.7Confident70.9Confident0 Ų052.9 Ų52.90%027%0.265CS..EExtended strand (participates in β ladder)trans-116.9157.7173.400000112.5W276 L314 F315W276-G304 CarbonylContact O-C 3.59Å; W276-G304 VanDerWaalsContact O-CA 3.27Å; W276-G304 WeakPolarHBondContact O-CA 3.38Å; G304-L314 CarbonylContact O-C 3.4Å; G304-L314 VanDerWaalsContact O-CA 3.23Å; G304-L314 WeakPolarHBondContact O-CA 3.37Å; G304-L314 WeakPolarHBondContact O-CD2 3.32Å; G304-F315 PolarHBondContact N-O 2.92Å; G304-F315 PolarHBondContact O-N 2.98Å
305C85.3Confident72.9Confident0 Ų048.6 Ų48.60%024%0.243CC..EExtended strand (participates in β ladder)trans-129.9120.5173.5-176.60000108.5N275 W276 S313 L314N275-C305 WeakPolarHBondContact CA-O 2.93Å; W276-C305 HydrophobicContact CD2-CB 3.65Å; W276-C305 HydrophobicContact CE3-CB 4.12Å; W276-C305 HydrophobicContact CG-CB 4.2Å; W276-C305 HydrophobicContact CH2-CB 3.85Å; W276-C305 HydrophobicContact CZ2-CB 3.36Å; W276-C305 HydrophobicContact CZ3-CB 4.2Å; W276-C305 PolarHBondContact N-O 3.47Å; W276-C305 VanDerWaalsContact N-O 3.13Å; W276-C305 PolarHBondContact O-N 2.82Å; C305-S313 WeakPolarHBondContact CA-O 3.49Å; C305-L314 HydrophobicContact CB-CD2 3.55Å
306V78.4Confident74.9Confident1 Ų141.9 Ų41.91%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-105.6134.8169.5-174.60000108.4E179 L182 N275 C312 S313 F315E179-V306 HydrophobicContact CB-CG1 3.77Å; E179-V306 HydrophobicContact CB-CG2 4.49Å; E179-V306 HydrophobicContact CG-CG1 3.83Å; L182-V306 HydrophobicContact CD1-CB 3.93Å; L182-V306 HydrophobicContact CD1-CG2 3.9Å; N275-V306 WeakPolarHBondContact OD1-CA 3.41Å; V306-C312 CarbonylContact O-C 3.57Å; V306-C312 VanDerWaalsContact O-CA 3.31Å; V306-C312 WeakPolarHBondContact O-CA 3.48Å; V306-S313 PolarHBondContact N-O 2.85Å; V306-S313 PolarHBondContact O-N 3.39Å; V306-F315 HydrophobicContact CG2-CD1 4.11Å; V306-F315 HydrophobicContact CG2-CE1 3.69Å
307K72.5Confident76.3Confident89 Ų8941.8 Ų41.839%0.38721%0.211SC..EExtended strand (participates in β ladder)trans-108.4124.5175.9-179176.3-176.6-179.60109D272 N275D272-K307 PolarHBondContact O-NZ 2.97Å; D272-K307 VanDerWaalsContact O-NZ 3.09Å; N275-K307 PolarHBondContact OD1-N 3.32Å
308N64.7Low77.1Confident46 Ų4639.5 Ų39.525%0.24620%0.203CC..  trans-102.3174.2164.3-62.15.7000108.5L183 I310 Q311L183-N308 VanDerWaalsContact CD2-ND2 3.27Å; L183-N308 WeakPolarHBondContact CD2-ND2 3.32Å; N308-I310 PolarHBondContact O-N 3.49Å; N308-Q311 PolarHBondContact N-O 3.48Å
309D55.5Low77.4Confident172 Ų17236.6 Ų36.692%0.9220%0.197SC*.SBendtrans-54.7-19-174.9-65.8-36.8000115.2
310I55.5Low77.1Confident171 Ų17140 Ų4088%0.87721%0.214SC*.SBendtrans-126.8-29.5-170.8-52.2173.9000112.7N308N308-I310 PolarHBondContact O-N 3.49Å
311Q66.1Low76.6Confident109 Ų10942.4 Ų42.451%0.50923%0.23SC..  trans-145.7154.9-171.5-172.9171.53.200112N308N308-Q311 PolarHBondContact N-O 3.48Å
312C70.6Confident75.9Confident31 Ų3143.9 Ų43.921%0.20924%0.237CC..EExtended strand (participates in β ladder)trans-109.2135.6170.7-60.10000110.2V306 R327V306-C312 CarbonylContact O-C 3.57Å; V306-C312 VanDerWaalsContact O-CA 3.31Å; V306-C312 WeakPolarHBondContact O-CA 3.48Å; C312-R327 HydrophobicContact CB-CB 3.9Å; C312-R327 VanDerWaalsContact CB-CD 3.49Å; C312-R327 HydrophobicContact CB-CG 4.22Å; C312-R327 WeakPolarHBondContact SG-CD 3.36Å; C312-R327 PolarHBondContact SG-NH1 3.25Å
313S77.6Confident75.2Confident25 Ų2545 Ų4518%0.17524%0.243CC..EExtended strand (participates in β ladder)trans-118.6125.8-178.9-70.70000109.3C305 V306C305-S313 WeakPolarHBondContact CA-O 3.49Å; V306-S313 PolarHBondContact N-O 2.85Å; V306-S313 PolarHBondContact O-N 3.39Å
314L85.2Confident74.2Confident1 Ų151.4 Ų51.41%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-90.5144.9174.2-69.6-173.1000110.2W276 L303 G304 C305 L322 Q323 V325 P328 I354W276-L314 HydrophobicContact CH2-CD2 3.96Å; W276-L314 HydrophobicContact CZ2-CD2 4.17Å; L303-L314 HydrophobicContact CD1-CB 4.32Å; G304-L314 CarbonylContact O-C 3.4Å; G304-L314 VanDerWaalsContact O-CA 3.23Å; G304-L314 WeakPolarHBondContact O-CA 3.37Å; G304-L314 WeakPolarHBondContact O-CD2 3.32Å; C305-L314 HydrophobicContact CB-CD2 3.55Å; L314-L322 WeakPolarHBondContact O-CD1 3.23Å; L314-Q323 HydrophobicContact CB-CB 3.89Å; L314-Q323 HydrophobicContact CB-CG 4.44Å; L314-Q323 PolarHBondContact O-N 3Å; L314-V325 HydrophobicContact CD1-CG2 3.5Å; L314-P328 HydrophobicContact CD1-CG 4.4Å; L314-I354 HydrophobicContact CD1-CG2 3.8Å
315F84.4Confident73.4Confident3 Ų353.3 Ų53.31%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-143.7151.4174.470.1-84.9000110.8L175 L303 G304 V306 T317 T321L175-F315 HydrophobicContact CD2-CE1 4.06Å; L175-F315 HydrophobicContact CD2-CZ 3.61Å; L303-F315 CarbonylContact C-O 3.26Å; L303-F315 WeakPolarHBondContact CA-O 3.43Å; G304-F315 PolarHBondContact N-O 2.92Å; G304-F315 PolarHBondContact O-N 2.98Å; V306-F315 HydrophobicContact CG2-CD1 4.11Å; V306-F315 HydrophobicContact CG2-CE1 3.69Å; F315-T317 HydrophobicContact CE2-CG2 4.22Å; F315-T321 CarbonylContact C-O 3.51Å; F315-T321 VanDerWaalsContact CA-O 3.23Å; F315-T321 WeakPolarHBondContact CA-O 3.44Å
316T85.4Confident72.8Confident2 Ų256 Ų561%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-103.8158.8170.358.20000110.9S302 L303 L320 T321 Q323 H355 I357S302-T316 CarbonylContact O-C 3.57Å; S302-T316 WeakPolarHBondContact O-CA 3.48Å; L303-T316 HydrophobicContact CD1-CG2 4Å; T316-L320 WeakPolarHBondContact O-CA 3.49Å; T316-T321 PolarHBondContact N-O 3.42Å; T316-T321 PolarHBondContact O-N 3.49Å; T316-T321 VanDerWaalsContact O-N 3.14Å; T316-T321 WeakPolarHBondContact OG1-CB 3.22Å; T316-T321 PolarHBondContact OG1-O 3.41Å; T316-Q323 HydrophobicContact CG2-CG 4.35Å; T316-H355 HydrophobicContact CG2-CB 4.09Å; T316-H355 WeakPolarHBondContact CG2-CD2 3.36Å; T316-I357 HydrophobicContact CG2-CD1 4.38Å; T316-I357 HydrophobicContact CG2-CG1 4.21Å
317T76Confident72.6Confident2 Ų257.5 Ų57.51%0.01230%0.302CS..THydrogen-bonded Turntrans-99.1150.5169.158.20000111.1I174 L300 S302 F315 P319I174-T317 HydrophobicContact CG2-CG2 4.28Å; L300-T317 HydrophobicContact CD2-CG2 4.16Å; L300-T317 PolarHBondContact O-OG1 3.26Å; S302-T317 PolarHBondContact N-OG1 2.89Å; S302-T317 PolarHBondContact O-N 2.94Å; S302-T317 WeakPolarHBondContact OG-CG2 3.43Å; S302-T317 PolarHBondContact OG-OG1 3.34Å; F315-T317 HydrophobicContact CE2-CG2 4.22Å; T317-P319 CarbonylContact C-O 3.5Å
318S72.4Confident72.8Confident24 Ų2453.3 Ų53.317%0.16828%0.284CS..THydrogen-bonded Turntrans62.165.2168.7-44.40000114.9E297 L300E297-S318 WeakPolarHBondContact O-CB 3.32Å; E297-S318 PolarHBondContact O-OG 3.31Å; L300-S318 WeakPolarHBondContact O-CB 3.29Å; L300-S318 PolarHBondContact O-OG 3.41Å
319P69.8Low73.2Confident88 Ų8855.3 Ų55.357%0.57130%0.298SS*.THydrogen-bonded Turncis-89.4157.53.533.6-33.3000113T317 T321T317-P319 CarbonylContact C-O 3.5Å; P319-T321 PolarHBondContact O-N 3.38Å; P319-T321 PolarHBondContact O-OG1 3.49Å
320L73.4Confident74.5Confident70 Ų7049.9 Ų49.937%0.36627%0.269SS..THydrogen-bonded Turntrans-57.6105.7172.5-167.6137.6000111.4S178 E297 T316S178-L320 WeakPolarHBondContact OG-CD1 3.29Å; E297-L320 PolarHBondContact OE2-N 3.25Å; T316-L320 WeakPolarHBondContact O-CA 3.49Å
321T75.8Confident76.1Confident53 Ų5343 Ų4333%0.32523%0.233SC..EExtended strand (participates in β ladder)trans-132.2120-174.8-48.50000111F315 T316 P319 Q323F315-T321 CarbonylContact C-O 3.51Å; F315-T321 VanDerWaalsContact CA-O 3.23Å; F315-T321 WeakPolarHBondContact CA-O 3.44Å; T316-T321 PolarHBondContact N-O 3.42Å; T316-T321 PolarHBondContact O-N 3.49Å; T316-T321 VanDerWaalsContact O-N 3.14Å; T316-T321 WeakPolarHBondContact OG1-CB 3.22Å; T316-T321 PolarHBondContact OG1-O 3.41Å; P319-T321 PolarHBondContact O-N 3.38Å; P319-T321 PolarHBondContact O-OG1 3.49Å; T321-Q323 PolarHBondContact O-NE2 3.14Å
322L76Confident77.3Confident33 Ų3337.8 Ų37.817%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-70.8135.6175.4178.655.1000110.9L182 L314 Y324L182-L322 HydrophobicContact CD2-CB 4.46Å; L182-L322 HydrophobicContact CD2-CD1 3.41Å; L182-L322 VanDerWaalsContact CD2-CD1 3.41Å; L182-L322 HydrophobicContact CD2-CD2 3.64Å; L182-L322 HydrophobicContact CD2-CG 4.02Å; L314-L322 WeakPolarHBondContact O-CD1 3.23Å; L322-Y324 HydrophobicContact CD2-CD1 4.43Å; L322-Y324 HydrophobicContact CD2-CE1 3.45Å; L322-Y324 VanDerWaalsContact CD2-CE1 3.45Å; L322-Y324 WeakPolarHBondContact CD2-OH 3.35Å; L322-Y324 HydrophobicContact CG-CD1 4.34Å; L322-Y324 HydrophobicContact CG-CE1 3.74Å; L322-Y324 HydrophobicContact CG-CE2 4.44Å
323Q75.6Confident78.5Confident25 Ų2536.3 Ų36.312%0.11720%0.199CC..EExtended strand (participates in β ladder)trans-112.1125.5178.6-50.2-60-42.400110L314 T316 T321 V325 H355L314-Q323 HydrophobicContact CB-CB 3.89Å; L314-Q323 HydrophobicContact CB-CG 4.44Å; L314-Q323 PolarHBondContact O-N 3Å; T316-Q323 HydrophobicContact CG2-CG 4.35Å; T321-Q323 PolarHBondContact O-NE2 3.14Å; Q323-V325 HydrophobicContact CB-CG2 4.45Å; Q323-V325 PolarHBondContact O-N 3.09Å; Q323-H355 VanDerWaalsContact CD-ND1 3.28Å; Q323-H355 HydrophobicContact CG-CB 4.3Å; Q323-H355 PolarHBondContact NE2-CE1 3.11Å; Q323-H355 PolarHBondContact NE2-ND1 3.19Å; Q323-H355 PolarHBondContact OE1-ND1 3.22Å
324Y70.4Confident79.4Confident134 Ų13435.1 Ų35.153%0.52519%0.19SC..  trans-96.958.9-179.2-56.4-71.7000111.1P188 L322P188-Y324 HydrophobicContact CB-CD1 4.31Å; P188-Y324 HydrophobicContact CB-CE1 3.99Å; P188-Y324 HydrophobicContact CG-CD1 3.68Å; P188-Y324 HydrophobicContact CG-CE1 3.14Å; L322-Y324 HydrophobicContact CD2-CD1 4.43Å; L322-Y324 HydrophobicContact CD2-CE1 3.45Å; L322-Y324 VanDerWaalsContact CD2-CE1 3.45Å; L322-Y324 WeakPolarHBondContact CD2-OH 3.35Å; L322-Y324 HydrophobicContact CG-CD1 4.34Å; L322-Y324 HydrophobicContact CG-CE1 3.74Å; L322-Y324 HydrophobicContact CG-CE2 4.44Å
325V71.1Confident79.9Confident41 Ų4136.4 Ų36.425%0.24820%0.196CC..SBendtrans-119.2153.9175.6-61.40000110.4L314 Q323 I354L314-V325 HydrophobicContact CD1-CG2 3.5Å; Q323-V325 HydrophobicContact CB-CG2 4.45Å; Q323-V325 PolarHBondContact O-N 3.09Å; V325-I354 HydrophobicContact CG2-CG2 4.02Å
326P71.6Confident80.5Confident56 Ų5636.3 Ų36.336%0.36420%0.196SC..PPolyproline II helixtrans-54.4141.9173.8-24.634.2000111.5P328P326-P328 WeakPolarHBondContact O-CD 3.14Å
327R74.6Confident81.1Confident33 Ų3336.8 Ų36.813%0.12520%0.198CC..PPolyproline II helixtrans-59.9126.6176.6171.5169.5178.2146.96.6110G271 W274 C312 T329G271-R327 PolarHBondContact O-NH2 3.49Å; W274-R327 PolarHBondContact O-NH2 2.88Å; C312-R327 HydrophobicContact CB-CB 3.9Å; C312-R327 VanDerWaalsContact CB-CD 3.49Å; C312-R327 HydrophobicContact CB-CG 4.22Å; C312-R327 WeakPolarHBondContact SG-CD 3.36Å; C312-R327 PolarHBondContact SG-NH1 3.25Å; R327-T329 PolarHBondContact O-N 2.84Å
328P78Confident82Confident0 Ų037.5 Ų37.50%020%0.203CC..PPolyproline II helixtrans-63.4129.1167.2-20.732.6000109.9L314 P326 V332 I354L314-P328 HydrophobicContact CD1-CG 4.4Å; P326-P328 WeakPolarHBondContact O-CD 3.14Å; P328-V332 HydrophobicContact CB-CG2 3.38Å; P328-V332 HydrophobicContact CG-CG2 3.65Å; P328-I354 HydrophobicContact CG-CD1 3.6Å; P328-I354 HydrophobicContact CG-CG1 4.48Å
329T73.3Confident83Confident88 Ų8841.7 Ų41.754%0.5422%0.22SC..SBendtrans-102.2-4-172.151.60000114.4R327R327-T329 PolarHBondContact O-N 2.84Å
330N82.6Confident84.2Confident59 Ų5939.9 Ų39.932%0.31621%0.213SC..SBendtrans-141.6-70.9-178.3-160.9-0.9000111.8H269 V270 N349H269-N330 CarbonylContact C-O 3.6Å; H269-N330 VanDerWaalsContact CA-O 3.26Å; H269-N330 WeakPolarHBondContact CA-O 3.28Å; H269-N330 PolarHBondContact CE1-OD1 3.39Å; H269-N330 PolarHBondContact ND1-O 2.82Å; H269-N330 VanDerWaalsContact ND1-O 3.11Å; H269-N330 PolarHBondContact ND1-OD1 3.43Å; V270-N330 PolarHBondContact N-O 3.2Å; N330-N349 WeakPolarHBondContact CB-ND2 3.16Å; N330-N349 WeakPolarHBondContact CB-OD1 3.33Å; N330-N349 PolarHBondContact N-ND2 2.78Å
331H88.5Confident85.2Confident25 Ų2543.2 Ų43.212%0.11622%0.22CC..EExtended strand (participates in β ladder)trans-126.3130.7-174.5-72.385.8000111S231 V268 H269 V348S231-H331 PolarHBondContact OG-NE2 3.48Å; V268-H331 WeakPolarHBondContact O-CA 3.46Å; H269-H331 AromaticContact ND1-CE1 3.63Å; H269-H331 AromaticContact ND1-NE2 3.93Å; H331-V348 HydrophobicContact CB-CB 3.75Å; H331-V348 HydrophobicContact CB-CG1 4.24Å; H331-V348 HydrophobicContact CB-CG2 3.93Å; H331-V348 WeakPolarHBondContact O-CB 3.39Å; H331-V348 WeakPolarHBondContact O-CG2 3.49Å; H331-V348 PolarHBondContact O-N 2.84Å; H331-V348 VanDerWaalsContact O-N 3.07Å
332V91.9Very high86.1Confident0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-112.4127.6168.9-175.20000108.1V268 V270 W276 F278 L303 P328 V346 I354V268-V332 PolarHBondContact N-O 2.95Å; V268-V332 PolarHBondContact O-N 3.34Å; V270-V332 HydrophobicContact CG1-CG2 4.37Å; V270-V332 HydrophobicContact CG2-CG2 3.76Å; W276-V332 HydrophobicContact CH2-CG2 4.07Å; W276-V332 HydrophobicContact CZ2-CG2 4.47Å; F278-V332 HydrophobicContact CE1-CB 3.87Å; F278-V332 HydrophobicContact CE1-CG1 3.98Å; F278-V332 HydrophobicContact CZ-CB 3.64Å; F278-V332 HydrophobicContact CZ-CG1 3.54Å; L303-V332 HydrophobicContact CD2-CG1 4Å; P328-V332 HydrophobicContact CB-CG2 3.38Å; P328-V332 HydrophobicContact CG-CG2 3.65Å; V332-V346 WeakPolarHBondContact CA-O 3.41Å; V332-I354 HydrophobicContact CG1-CD1 3.76Å; V332-I354 HydrophobicContact CG2-CD1 4.41Å
333G94.1Very high87.1Confident0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-93.3142.5176.300000110.7W266 F345 V346W266-G333 CarbonylContact O-C 3.55Å; W266-G333 WeakPolarHBondContact O-CA 3.26Å; G333-F345 CarbonylContact O-C 3.56Å; G333-F345 VanDerWaalsContact O-CA 3.3Å; G333-F345 WeakPolarHBondContact O-CA 3.48Å; G333-V346 PolarHBondContact N-O 3.06Å; G333-V346 PolarHBondContact O-N 3.42Å
334L96.5Very high88Confident0 Ų040.2 Ų40.20%021%0.206CC..EExtended strand (participates in β ladder)trans-116.3125.8168.5-177165000108.9Y265 W266 F278 L336 V343 S344 F345Y265-L334 WeakPolarHBondContact CA-O 3.39Å; Y265-L334 VanDerWaalsContact CD2-O 3.24Å; Y265-L334 WeakPolarHBondContact CD2-O 3.35Å; W266-L334 HydrophobicContact CD2-CD2 4.42Å; W266-L334 HydrophobicContact CE3-CD2 4.24Å; W266-L334 HydrophobicContact CH2-CD1 4.22Å; W266-L334 HydrophobicContact CH2-CD2 3.29Å; W266-L334 HydrophobicContact CH2-CG 4.29Å; W266-L334 HydrophobicContact CZ2-CB 4.3Å; W266-L334 HydrophobicContact CZ2-CD1 3.63Å; W266-L334 HydrophobicContact CZ2-CD2 3.5Å; W266-L334 VanDerWaalsContact CZ2-CD2 3.5Å; W266-L334 HydrophobicContact CZ2-CG 4.01Å; W266-L334 HydrophobicContact CZ3-CD2 3.69Å; W266-L334 PolarHBondContact N-O 3.12Å; W266-L334 PolarHBondContact O-N 2.83Å; F278-L334 HydrophobicContact CD2-CD1 4.24Å; F278-L334 HydrophobicContact CE2-CB 3.9Å; F278-L334 HydrophobicContact CE2-CD1 4.24Å; L334-L336 HydrophobicContact CD2-CB 4.02Å; L334-V343 HydrophobicContact CD1-CG1 4.01Å; L334-V343 HydrophobicContact CD2-CG1 4.03Å; L334-V343 HydrophobicContact CG-CG1 3.85Å; L334-S344 CarbonylContact C-O 3.52Å; L334-S344 WeakPolarHBondContact CA-O 3.04Å; L334-F345 HydrophobicContact CB-CD1 4.37Å; L334-F345 HydrophobicContact CB-CE1 4.35Å; L334-F345 HydrophobicContact CD1-CD1 4.49Å; L334-F345 HydrophobicContact CD1-CE1 3.69Å; L334-F345 HydrophobicContact CD1-CZ 4.15Å; L334-F345 HydrophobicContact CG-CD1 4.39Å; L334-F345 HydrophobicContact CG-CE1 4.01Å
335F97.4Very high89.1Confident29 Ų2933.8 Ų33.813%0.12718%0.181CC..EExtended strand (participates in β ladder)trans-111.7117.8172.9-178.9-108.8000109.9L205 F208 K263 Y264 Y265 D337 S344L205-F335 HydrophobicContact CD2-CB 3.89Å; L205-F335 HydrophobicContact CD2-CD1 4.42Å; L205-F335 HydrophobicContact CD2-CD2 3.68Å; L205-F335 HydrophobicContact CD2-CE2 4.28Å; L205-F335 HydrophobicContact CD2-CG 3.74Å; F208-F335 HydrophobicContact CB-CE2 4.05Å; F208-F335 AromaticContact CD2-CE2 3.6Å; F208-F335 HydrophobicContact CD2-CE2 3.6Å; F208-F335 HydrophobicContact CD2-CZ 4.24Å; F208-F335 HydrophobicContact CE2-CE2 4.22Å; F208-F335 HydrophobicContact CE2-CZ 4.43Å; F208-F335 AromaticContact CG-CE2 3.86Å; F208-F335 HydrophobicContact CG-CE2 3.86Å; K263-F335 HydrophobicContact CB-CE2 4.09Å; K263-F335 HydrophobicContact CB-CZ 4Å; K263-F335 HydrophobicContact CD-CZ 3.96Å; K263-F335 HydrophobicContact CG-CZ 4.4Å; Y264-F335 CarbonylContact O-C 3.56Å; Y264-F335 WeakPolarHBondContact O-CA 3.42Å; Y264-F335 WeakPolarHBondContact O-CD2 3.32Å; Y265-F335 HydrophobicContact CD2-CB 4.16Å; F335-D337 HydrophobicContact CE1-CB 4.15Å; F335-S344 PolarHBondContact N-O 3.16Å; F335-S344 PolarHBondContact O-N 2.78Å
336L97.2Very high90.1Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-103.7123.6179172.264.8000108.8F259 K263 Y264 W266 V280 L334 V343 F362 L366F259-L336 HydrophobicContact CB-CD2 3.93Å; F259-L336 HydrophobicContact CD2-CD2 3.73Å; F259-L336 HydrophobicContact CE2-CD2 4.48Å; F259-L336 HydrophobicContact CG-CD2 3.96Å; K263-L336 CarbonylContact C-O 3.58Å; K263-L336 VanDerWaalsContact CA-O 3.25Å; K263-L336 WeakPolarHBondContact CA-O 3.31Å; Y264-L336 HydrophobicContact CD2-CD2 4.11Å; Y264-L336 PolarHBondContact N-O 3.37Å; Y264-L336 PolarHBondContact O-N 3.34Å; W266-L336 HydrophobicContact CH2-CB 4.47Å; W266-L336 HydrophobicContact CZ3-CB 4.25Å; V280-L336 HydrophobicContact CG1-CD2 4.41Å; V280-L336 HydrophobicContact CG2-CD1 4.36Å; L334-L336 HydrophobicContact CD2-CB 4.02Å; L336-V343 HydrophobicContact CD1-CG2 4.05Å; L336-F362 HydrophobicContact CD1-CE1 4.42Å; L336-F362 HydrophobicContact CD1-CE2 3.81Å; L336-F362 HydrophobicContact CD1-CZ 3.55Å; L336-L366 HydrophobicContact CD1-CD1 3.94Å; L336-L366 HydrophobicContact CD2-CD1 4.11Å
337D96.9Very high91.1Very high12 Ų1229.9 Ų29.96%0.06416%0.156CC..EExtended strand (participates in β ladder)trans-116.1101.9171.4-167.1-35.5000108.5K263 F335 E339 A340 R341 T342K263-D337 WeakPolarHBondContact CD-OD2 3.15Å; K263-D337 WeakPolarHBondContact CE-OD2 3.37Å; K263-D337 HydrophobicContact CG-CB 4.47Å; K263-D337 IonicContact NZ-OD1 2.78Å; K263-D337 IonicContact NZ-OD2 3.34Å; K263-D337 PolarHBondContact NZ-OD2 2.89Å; F335-D337 HydrophobicContact CE1-CB 4.15Å; D337-E339 VanDerWaalsContact C-N 3.34Å; D337-E339 PolarHBondContact OD1-N 2.85Å; D337-A340 HydrophobicContact CB-CB 3.98Å; D337-A340 WeakPolarHBondContact OD1-CB 3.45Å; D337-A340 PolarHBondContact OD1-N 3.21Å; D337-R341 WeakPolarHBondContact O-CA 3.43Å; D337-R341 PolarHBondContact O-N 3.27Å; D337-T342 WeakPolarHBondContact CB-OG1 3.48Å; D337-T342 PolarHBondContact N-O 3.34Å; D337-T342 PolarHBondContact O-N 2.83Å; D337-T342 VanDerWaalsContact O-N 3.08Å
338C94.3Very high91.8Very high18 Ų1828.9 Ų28.912%0.12215%0.153CC..THydrogen-bonded Turntrans-69.4-36.5-175.2-60.90000111.4G262 R341G262-C338 VanDerWaalsContact O-CB 3.27Å; G262-C338 WeakPolarHBondContact O-CB 3.43Å; G262-C338 PolarHBondContact O-N 3.12Å; G262-C338 PolarHBondContact O-SG 3.2Å; C338-R341 PolarHBondContact O-N 2.83Å
339E94.4Very high92.2Very high112 Ų11232.5 Ų32.552%0.52317%0.172SC..THydrogen-bonded Turntrans-69-47178.9-70.170.9-153.900111.5G262 D337 R341G262-E339 VanDerWaalsContact C-OE2 3.26Å; G262-E339 VanDerWaalsContact CA-OE1 3.3Å; G262-E339 WeakPolarHBondContact CA-OE1 3.49Å; G262-E339 VanDerWaalsContact CA-OE2 3.24Å; G262-E339 WeakPolarHBondContact CA-OE2 3.21Å; G262-E339 VanDerWaalsContact N-CD 3.34Å; G262-E339 PolarHBondContact N-OE1 2.91Å; G262-E339 PolarHBondContact N-OE2 2.79Å; D337-E339 VanDerWaalsContact C-N 3.34Å; D337-E339 PolarHBondContact OD1-N 2.85Å; E339-R341 PolarHBondContact O-N 3.16Å
340A94.7Very high92.8Very high50 Ų5031.7 Ų31.741%0.41316%0.162SC..THydrogen-bonded Turntrans-78.1-9.3178.200000113.1D337 T342D337-A340 HydrophobicContact CB-CB 3.98Å; D337-A340 WeakPolarHBondContact OD1-CB 3.45Å; D337-A340 PolarHBondContact OD1-N 3.21Å; A340-T342 HydrophobicContact CB-CG2 4.23Å; A340-T342 WeakPolarHBondContact O-CG2 3.5Å; A340-T342 PolarHBondContact O-N 3.44Å
341R93.8Very high93Very high140 Ų14030.4 Ų30.453%0.52816%0.158SC..THydrogen-bonded Turntrans55.447.1-175.8-61.2-177.4174.8-169-1.3112.8D337 C338 E339 N359 C360 F362D337-R341 WeakPolarHBondContact O-CA 3.43Å; D337-R341 PolarHBondContact O-N 3.27Å; C338-R341 PolarHBondContact O-N 2.83Å; E339-R341 PolarHBondContact O-N 3.16Å; R341-N359 PolarHBondContact O-N 3.04Å; R341-C360 WeakPolarHBondContact O-CB 3.39Å; R341-C360 PolarHBondContact O-N 3.04Å; R341-C360 PolarHBondContact O-SG 3.37Å; R341-F362 VanDerWaalsContact CA-CE2 3.5Å; R341-F362 HydrophobicContact CB-CD2 4.2Å; R341-F362 HydrophobicContact CB-CE2 4.26Å; R341-F362 HydrophobicContact CG-CD2 4.12Å
342T95.4Very high93Very high27 Ų2729.6 Ų29.617%0.16616%0.155CC..EExtended strand (participates in β ladder)trans-125.1149.7-179.963.90000112.4D337 A340 T356 I357D337-T342 WeakPolarHBondContact CB-OG1 3.48Å; D337-T342 PolarHBondContact N-O 3.34Å; D337-T342 PolarHBondContact O-N 2.83Å; D337-T342 VanDerWaalsContact O-N 3.08Å; A340-T342 HydrophobicContact CB-CG2 4.23Å; A340-T342 WeakPolarHBondContact O-CG2 3.5Å; A340-T342 PolarHBondContact O-N 3.44Å; T342-T356 HydrophobicContact CG2-CG2 4.42Å; T342-I357 WeakPolarHBondContact CA-O 3.21Å
343V96.2Very high92.9Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-124.9113.3168.8-174.50000108.2V280 F301 L334 L336 F345 T356 I357 F362V280-V343 HydrophobicContact CG2-CG2 3.74Å; F301-V343 HydrophobicContact CB-CB 4.4Å; F301-V343 HydrophobicContact CB-CG2 3.82Å; F301-V343 HydrophobicContact CG-CG2 4.48Å; L334-V343 HydrophobicContact CD1-CG1 4.01Å; L334-V343 HydrophobicContact CD2-CG1 4.03Å; L334-V343 HydrophobicContact CG-CG1 3.85Å; L336-V343 HydrophobicContact CD1-CG2 4.05Å; V343-F345 HydrophobicContact CB-CE2 4.47Å; V343-F345 HydrophobicContact CG1-CE1 4.4Å; V343-F345 HydrophobicContact CG1-CE2 3.74Å; V343-F345 HydrophobicContact CG1-CZ 3.63Å; V343-T356 CarbonylContact O-C 3.48Å; V343-T356 WeakPolarHBondContact O-CA 3.43Å; V343-I357 PolarHBondContact N-O 3.3Å; V343-I357 VanDerWaalsContact N-O 3.15Å; V343-I357 PolarHBondContact O-N 3.46Å; V343-F362 HydrophobicContact CG2-CE1 3.98Å; V343-F362 HydrophobicContact CG2-CZ 3.72Å
344S95.3Very high92.7Very high20 Ų2033 Ų3314%0.1418%0.176CC..EExtended strand (participates in β ladder)trans-108.5137.6-178.7-60.90000111L334 F335 H355 T356L334-S344 CarbonylContact C-O 3.52Å; L334-S344 WeakPolarHBondContact CA-O 3.04Å; F335-S344 PolarHBondContact N-O 3.16Å; F335-S344 PolarHBondContact O-N 2.78Å; S344-H355 CarbonylContact C-O 3.49Å; S344-H355 WeakPolarHBondContact CA-O 3.14Å; S344-T356 WeakPolarHBondContact CB-OG1 3.35Å; S344-T356 VanDerWaalsContact OG-CG2 3.22Å; S344-T356 WeakPolarHBondContact OG-CG2 3.49Å; S344-T356 PolarHBondContact OG-OG1 3.45Å
345F94.2Very high92.4Very high0 Ų035.2 Ų35.20%019%0.187CC..EExtended strand (participates in β ladder)trans-114138.8177.5-59.1-88.7000110.1F278 L303 G333 L334 V343 I354 H355 I357F278-F345 HydrophobicContact CE2-CD1 4.48Å; F278-F345 HydrophobicContact CE2-CE1 4.37Å; F278-F345 HydrophobicContact CZ-CD1 4.44Å; L303-F345 HydrophobicContact CB-CD1 3.46Å; L303-F345 VanDerWaalsContact CB-CD1 3.46Å; L303-F345 HydrophobicContact CB-CD2 3.98Å; L303-F345 HydrophobicContact CB-CE1 3.41Å; L303-F345 VanDerWaalsContact CB-CE1 3.41Å; L303-F345 HydrophobicContact CB-CE2 3.96Å; L303-F345 HydrophobicContact CB-CG 3.75Å; L303-F345 HydrophobicContact CB-CZ 3.69Å; L303-F345 HydrophobicContact CD2-CB 3.92Å; L303-F345 HydrophobicContact CD2-CD1 3.93Å; L303-F345 HydrophobicContact CD2-CG 3.96Å; L303-F345 HydrophobicContact CG-CD1 4.32Å; L303-F345 HydrophobicContact CG-CG 4.35Å; L303-F345 VanDerWaalsContact N-CZ 3.33Å; G333-F345 CarbonylContact O-C 3.56Å; G333-F345 VanDerWaalsContact O-CA 3.3Å; G333-F345 WeakPolarHBondContact O-CA 3.48Å; L334-F345 HydrophobicContact CB-CD1 4.37Å; L334-F345 HydrophobicContact CB-CE1 4.35Å; L334-F345 HydrophobicContact CD1-CD1 4.49Å; L334-F345 HydrophobicContact CD1-CE1 3.69Å; L334-F345 HydrophobicContact CD1-CZ 4.15Å; L334-F345 HydrophobicContact CG-CD1 4.39Å; L334-F345 HydrophobicContact CG-CE1 4.01Å; V343-F345 HydrophobicContact CB-CE2 4.47Å; V343-F345 HydrophobicContact CG1-CE1 4.4Å; V343-F345 HydrophobicContact CG1-CE2 3.74Å; V343-F345 HydrophobicContact CG1-CZ 3.63Å; F345-I354 HydrophobicContact CB-CB 4.12Å; F345-I354 HydrophobicContact CB-CG2 4.44Å; F345-I354 WeakPolarHBondContact O-CB 3.43Å; F345-I354 PolarHBondContact O-N 3.12Å; F345-H355 PolarHBondContact N-O 3.45Å; F345-H355 PolarHBondContact O-N 3.5Å; F345-I357 HydrophobicContact CE2-CD1 3.87Å; F345-I357 HydrophobicContact CE2-CG1 4.25Å
346V92.4Very high92.1Very high11 Ų1136.5 Ų36.57%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-133.1141.6-178.1-58.90000111.2L201 L205 Y265 V332 G333 V348 S352 I354L201-V346 HydrophobicContact CD2-CG1 4.35Å; L205-V346 HydrophobicContact CD1-CB 4.49Å; L205-V346 HydrophobicContact CD1-CG1 4.04Å; L205-V346 HydrophobicContact CD1-CG2 3.84Å; Y265-V346 HydrophobicContact CE2-CG2 4.13Å; V332-V346 WeakPolarHBondContact CA-O 3.41Å; G333-V346 PolarHBondContact N-O 3.06Å; G333-V346 PolarHBondContact O-N 3.42Å; V346-V348 HydrophobicContact CG2-CG2 4.34Å; V346-V348 PolarHBondContact O-N 3.28Å; V346-S352 CarbonylContact C-O 3.58Å; V346-S352 WeakPolarHBondContact CA-O 3.38Å; V346-I354 VanDerWaalsContact C-CD1 3.49Å
347D90.6Very high91.9Very high4 Ų436.6 Ų36.62%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-78.7110.6164.6-176.8-30.2000107.1N349 Q350 S351 S352 I354D347-N349 VanDerWaalsContact C-N 3.3Å; D347-N349 PolarHBondContact O-N 3.48Å; D347-N349 WeakPolarHBondContact OD1-CB 3.45Å; D347-N349 PolarHBondContact OD1-N 3.43Å; D347-Q350 HydrophobicContact CB-CB 4.15Å; D347-Q350 PolarHBondContact OD1-N 2.99Å; D347-Q350 WeakPolarHBondContact OD2-CG 3.2Å; D347-Q350 PolarHBondContact OD2-NE2 2.85Å; D347-S351 WeakPolarHBondContact O-CA 3.28Å; D347-S351 PolarHBondContact O-N 2.74Å; D347-S352 PolarHBondContact N-O 3.15Å; D347-S352 PolarHBondContact O-N 3.32Å; D347-I354 HydrophobicContact CB-CD1 4.18Å; D347-I354 HydrophobicContact CB-CG1 4.18Å
348V90.2Very high91.6Very high11 Ų1139.6 Ų39.67%0.06722%0.218CC..THydrogen-bonded Turntrans-69.9-32.5-174.7-179.50000111.1E267 H331 V346E267-V348 HydrophobicContact CG-CG2 4.09Å; H331-V348 HydrophobicContact CB-CB 3.75Å; H331-V348 HydrophobicContact CB-CG1 4.24Å; H331-V348 HydrophobicContact CB-CG2 3.93Å; H331-V348 WeakPolarHBondContact O-CB 3.39Å; H331-V348 WeakPolarHBondContact O-CG2 3.49Å; H331-V348 PolarHBondContact O-N 2.84Å; H331-V348 VanDerWaalsContact O-N 3.07Å; V346-V348 HydrophobicContact CG2-CG2 4.34Å; V346-V348 PolarHBondContact O-N 3.28Å
349N85.9Confident91.4Very high77 Ų7745.7 Ų45.741%0.41225%0.249SC..THydrogen-bonded Turntrans-71.6-44.8-179.8-56.6-48.5000110.6N330 D347 S351N330-N349 WeakPolarHBondContact CB-ND2 3.16Å; N330-N349 WeakPolarHBondContact CB-OD1 3.33Å; N330-N349 PolarHBondContact N-ND2 2.78Å; D347-N349 VanDerWaalsContact C-N 3.3Å; D347-N349 PolarHBondContact O-N 3.48Å; D347-N349 WeakPolarHBondContact OD1-CB 3.45Å; D347-N349 PolarHBondContact OD1-N 3.43Å; N349-S351 VanDerWaalsContact C-N 3.28Å
350Q85.8Confident91.1Very high70 Ų7040.5 Ų40.533%0.32723%0.225SC..THydrogen-bonded Turntrans-82.5-8.3-179.7-64.2-173.860.100112.6P197 D347 S352P197-Q350 WeakPolarHBondContact CA-O 3.45Å; P197-Q350 WeakPolarHBondContact CB-O 3.41Å; D347-Q350 HydrophobicContact CB-CB 4.15Å; D347-Q350 PolarHBondContact OD1-N 2.99Å; D347-Q350 WeakPolarHBondContact OD2-CG 3.2Å; D347-Q350 PolarHBondContact OD2-NE2 2.85Å; Q350-S352 WeakPolarHBondContact CB-OG 3.17Å; Q350-S352 PolarHBondContact O-N 3.18Å
351S88.1Confident90.9Very high33 Ų3341.2 Ų41.223%0.23123%0.227CC..THydrogen-bonded Turntrans49.342.7-173.9-64.10000112.1I198 L201 D347 N349I198-S351 PolarHBondContact N-O 3.2Å; L201-S351 WeakPolarHBondContact CD2-O 3.34Å; D347-S351 WeakPolarHBondContact O-CA 3.28Å; D347-S351 PolarHBondContact O-N 2.74Å; N349-S351 VanDerWaalsContact C-N 3.28Å
352S88.7Confident90.7Very high8 Ų835.5 Ų35.56%0.05621%0.206CC..EExtended strand (participates in β ladder)trans-128.4148.3-175.562.50000111.4A195 V346 D347 Q350A195-S352 WeakPolarHBondContact O-CB 3.27Å; V346-S352 CarbonylContact C-O 3.58Å; V346-S352 WeakPolarHBondContact CA-O 3.38Å; D347-S352 PolarHBondContact N-O 3.15Å; D347-S352 PolarHBondContact O-N 3.32Å; Q350-S352 WeakPolarHBondContact CB-OG 3.17Å; Q350-S352 PolarHBondContact O-N 3.18Å
353P89.4Confident90.3Very high57 Ų5737 Ų3737%0.3722%0.218SC..EExtended strand (participates in β ladder)trans-71.1137.8174.929.4-33.1000110.7I198I198-P353 HydrophobicContact CD1-CG 4.18Å
354I89Confident89.8Confident14 Ų1440.2 Ų40.27%0.07224%0.238CC..EExtended strand (participates in β ladder)trans-90.7-60171-67.5165.7000108.9L303 L314 V325 P328 V332 F345 V346 D347L303-I354 HydrophobicContact CD1-CG2 4.06Å; L303-I354 HydrophobicContact CD2-CD1 4.17Å; L303-I354 HydrophobicContact CD2-CG2 4.02Å; L314-I354 HydrophobicContact CD1-CG2 3.8Å; V325-I354 HydrophobicContact CG2-CG2 4.02Å; P328-I354 HydrophobicContact CG-CD1 3.6Å; P328-I354 HydrophobicContact CG-CG1 4.48Å; V332-I354 HydrophobicContact CG1-CD1 3.76Å; V332-I354 HydrophobicContact CG2-CD1 4.41Å; F345-I354 HydrophobicContact CB-CB 4.12Å; F345-I354 HydrophobicContact CB-CG2 4.44Å; F345-I354 WeakPolarHBondContact O-CB 3.43Å; F345-I354 PolarHBondContact O-N 3.12Å; V346-I354 VanDerWaalsContact C-CD1 3.49Å; D347-I354 HydrophobicContact CB-CD1 4.18Å; D347-I354 HydrophobicContact CB-CG1 4.18Å
355H90.3Very high89.6Confident46 Ų4640.5 Ų40.521%0.21324%0.24CC..EExtended strand (participates in β ladder)trans-160.7158.8-178-168.973.1000111T316 Q323 S344 F345T316-H355 HydrophobicContact CG2-CB 4.09Å; T316-H355 WeakPolarHBondContact CG2-CD2 3.36Å; Q323-H355 VanDerWaalsContact CD-ND1 3.28Å; Q323-H355 HydrophobicContact CG-CB 4.3Å; Q323-H355 PolarHBondContact NE2-CE1 3.11Å; Q323-H355 PolarHBondContact NE2-ND1 3.19Å; Q323-H355 PolarHBondContact OE1-ND1 3.22Å; S344-H355 CarbonylContact C-O 3.49Å; S344-H355 WeakPolarHBondContact CA-O 3.14Å; F345-H355 PolarHBondContact N-O 3.45Å; F345-H355 PolarHBondContact O-N 3.5Å
356T92Very high89.5Confident57 Ų5740.6 Ų40.635%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-131.2123.3167.8-65.80000109.4T342 V343 S344 P358T342-T356 HydrophobicContact CG2-CG2 4.42Å; V343-T356 CarbonylContact O-C 3.48Å; V343-T356 WeakPolarHBondContact O-CA 3.43Å; S344-T356 WeakPolarHBondContact CB-OG1 3.35Å; S344-T356 VanDerWaalsContact OG-CG2 3.22Å; S344-T356 WeakPolarHBondContact OG-CG2 3.49Å; S344-T356 PolarHBondContact OG-OG1 3.45Å; T356-P358 VanDerWaalsContact O-CD 3.25Å; T356-P358 WeakPolarHBondContact O-CD 3Å
357I91.8Very high89.5Confident2 Ų243 Ų431%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-83.1110.9172.2-51.9172000107.3F301 T316 T342 V343 F345 C360F301-I357 HydrophobicContact CB-CD1 4.08Å; F301-I357 HydrophobicContact CD1-CG2 4.2Å; T316-I357 HydrophobicContact CG2-CD1 4.38Å; T316-I357 HydrophobicContact CG2-CG1 4.21Å; T342-I357 WeakPolarHBondContact CA-O 3.21Å; V343-I357 PolarHBondContact N-O 3.3Å; V343-I357 VanDerWaalsContact N-O 3.15Å; V343-I357 PolarHBondContact O-N 3.46Å; F345-I357 HydrophobicContact CE2-CD1 3.87Å; F345-I357 HydrophobicContact CE2-CG1 4.25Å; I357-C360 PolarHBondContact O-SG 3.33Å; I357-C360 VanDerWaalsContact O-SG 3.34Å
358P91.9Very high89.6Confident75 Ų7542.8 Ų42.849%0.48725%0.247SC..  trans-88166.3-179.636.9-33.3000111.4T356 C360T356-P358 VanDerWaalsContact O-CD 3.25Å; T356-P358 WeakPolarHBondContact O-CD 3Å; P358-C360 PolarHBondContact O-N 2.82Å; P358-C360 VanDerWaalsContact O-N 3.13Å
359N89.6Confident89.5Confident146 Ų14642.3 Ų42.378%0.78124%0.244SC*.SBendtrans53.336.7169-57.9-37.1000114.4R341 S361R341-N359 PolarHBondContact O-N 3.04Å; N359-S361 PolarHBondContact O-N 3.29Å
360C88.9Confident89.6Confident2 Ų238.7 Ų38.71%0.01423%0.225CC..  trans-62.1131.2-176.5-620000110.9F301 R341 I357 P358 F362F301-C360 HydrophobicContact CD1-CB 3.79Å; F301-C360 VanDerWaalsContact CD1-SG 3.53Å; F301-C360 HydrophobicContact CD2-CB 4.42Å; F301-C360 HydrophobicContact CE1-CB 3.54Å; F301-C360 HydrophobicContact CE2-CB 4.21Å; F301-C360 HydrophobicContact CG-CB 4.22Å; F301-C360 HydrophobicContact CZ-CB 3.77Å; R341-C360 WeakPolarHBondContact O-CB 3.39Å; R341-C360 PolarHBondContact O-N 3.04Å; R341-C360 PolarHBondContact O-SG 3.37Å; I357-C360 PolarHBondContact O-SG 3.33Å; I357-C360 VanDerWaalsContact O-SG 3.34Å; P358-C360 PolarHBondContact O-N 2.82Å; P358-C360 VanDerWaalsContact O-N 3.13Å; C360-F362 HydrophobicContact CB-CD1 3.47Å; C360-F362 VanDerWaalsContact CB-CD1 3.47Å; C360-F362 HydrophobicContact CB-CD2 4.49Å; C360-F362 HydrophobicContact CB-CE1 3.09Å; C360-F362 HydrophobicContact CB-CE2 4.21Å; C360-F362 HydrophobicContact CB-CG 4.17Å; C360-F362 HydrophobicContact CB-CZ 3.5Å; C360-F362 PolarHBondContact O-N 3.13Å
361S88.9Confident89.5Confident65 Ų6535.4 Ų35.446%0.45521%0.21SC..  trans-7762.717551.10000111.5N282 N359 S363N282-S361 PolarHBondContact ND2-O 3.43Å; N359-S361 PolarHBondContact O-N 3.29Å; S361-S363 PolarHBondContact O-N 3.3Å
362F89.6Confident89.1Confident21 Ų2133.9 Ų33.99%0.09220%0.199CC..  trans-62.5129.5179-64.6-22.9000111.4F301 L336 R341 V343 C360 P364 L366F301-F362 AromaticContact CD2-CD1 3.9Å; F301-F362 HydrophobicContact CD2-CD1 3.9Å; F301-F362 AromaticContact CD2-CE1 3.64Å; F301-F362 HydrophobicContact CD2-CE1 3.64Å; F301-F362 AromaticContact CE2-CD1 3.55Å; F301-F362 HydrophobicContact CE2-CD1 3.55Å; F301-F362 AromaticContact CE2-CE1 3.77Å; F301-F362 HydrophobicContact CE2-CE1 3.77Å; F301-F362 HydrophobicContact CG-CE1 4.15Å; F301-F362 HydrophobicContact CZ-CD1 4.12Å; F301-F362 HydrophobicContact CZ-CE1 4.38Å; L336-F362 HydrophobicContact CD1-CE1 4.42Å; L336-F362 HydrophobicContact CD1-CE2 3.81Å; L336-F362 HydrophobicContact CD1-CZ 3.55Å; R341-F362 VanDerWaalsContact CA-CE2 3.5Å; R341-F362 HydrophobicContact CB-CD2 4.2Å; R341-F362 HydrophobicContact CB-CE2 4.26Å; R341-F362 HydrophobicContact CG-CD2 4.12Å; V343-F362 HydrophobicContact CG2-CE1 3.98Å; V343-F362 HydrophobicContact CG2-CZ 3.72Å; C360-F362 HydrophobicContact CB-CD1 3.47Å; C360-F362 VanDerWaalsContact CB-CD1 3.47Å; C360-F362 HydrophobicContact CB-CD2 4.49Å; C360-F362 HydrophobicContact CB-CE1 3.09Å; C360-F362 HydrophobicContact CB-CE2 4.21Å; C360-F362 HydrophobicContact CB-CG 4.17Å; C360-F362 HydrophobicContact CB-CZ 3.5Å; C360-F362 PolarHBondContact O-N 3.13Å; F362-P364 WeakPolarHBondContact O-CD 3.49Å; F362-L366 HydrophobicContact CB-CD1 4.33Å; F362-L366 HydrophobicContact CB-CD2 4.19Å; F362-L366 HydrophobicContact CD1-CD1 3.85Å; F362-L366 HydrophobicContact CD1-CD2 3.86Å; F362-L366 HydrophobicContact CD1-CG 4.49Å; F362-L366 HydrophobicContact CD2-CD1 3.84Å; F362-L366 HydrophobicContact CE1-CD1 4.02Å; F362-L366 HydrophobicContact CE1-CD2 4.5Å; F362-L366 HydrophobicContact CE2-CD1 4.01Å; F362-L366 HydrophobicContact CG-CD1 3.77Å; F362-L366 HydrophobicContact CG-CD2 4.14Å; F362-L366 HydrophobicContact CG-CG 4.48Å; F362-L366 HydrophobicContact CZ-CD1 4.12Å
363S88.5Confident88.4Confident59 Ų5934.3 Ų34.341%0.41320%0.201SC..  trans-118.885.1166-172.70000107.3N282 S361N282-S363 PolarHBondContact ND2-N 3.13Å; N282-S363 PolarHBondContact OD1-N 3.3Å; S361-S363 PolarHBondContact O-N 3.3Å
364P85.3Confident87.4Confident66 Ų6634.4 Ų34.443%0.42920%0.196SC..SBendtrans-59.9153.6-177.6-23.334000112.6T260 F362T260-P364 HydrophobicContact CG2-CB 4.49Å; F362-P364 WeakPolarHBondContact O-CD 3.49Å
365P91.6Very high86.1Confident27 Ų2738.4 Ų38.418%0.17522%0.217CC..SBendcis-74.3144.31.628.7-34000113.3T258 F259 T260 K283T258-P365 HydrophobicContact CG2-CB 4.42Å; F259-P365 WeakPolarHBondContact O-CA 3.4Å; T260-P365 HydrophobicContact CG2-CB 3.97Å; K283-P365 HydrophobicContact CB-CG 3.94Å; K283-P365 VanDerWaalsContact CB-O 3.22Å; K283-P365 WeakPolarHBondContact CB-O 3.43Å; K283-P365 HydrophobicContact CD-CG 3.46Å; K283-P365 VanDerWaalsContact CD-CG 3.46Å; K283-P365 HydrophobicContact CG-CG 4.34Å; K283-P365 PolarHBondContact N-O 3.27Å
366L92.2Very high85.9Confident1 Ų138 Ų381%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-90.2145.6172.6-60.6173.4000110.2T258 F259 C281 N282 L336 F362T258-L366 CarbonylContact C-O 3.53Å; T258-L366 VanDerWaalsContact CA-O 3.27Å; T258-L366 WeakPolarHBondContact CA-O 3.31Å; F259-L366 HydrophobicContact CB-CB 4.43Å; F259-L366 PolarHBondContact N-O 3.13Å; F259-L366 PolarHBondContact O-N 3.42Å; C281-L366 WeakPolarHBondContact O-CA 3.03Å; N282-L366 WeakPolarHBondContact OD1-CD2 3.4Å; L336-L366 HydrophobicContact CD1-CD1 3.94Å; L336-L366 HydrophobicContact CD2-CD1 4.11Å; F362-L366 HydrophobicContact CB-CD1 4.33Å; F362-L366 HydrophobicContact CB-CD2 4.19Å; F362-L366 HydrophobicContact CD1-CD1 3.85Å; F362-L366 HydrophobicContact CD1-CD2 3.86Å; F362-L366 HydrophobicContact CD1-CG 4.49Å; F362-L366 HydrophobicContact CD2-CD1 3.84Å; F362-L366 HydrophobicContact CE1-CD1 4.02Å; F362-L366 HydrophobicContact CE1-CD2 4.5Å; F362-L366 HydrophobicContact CE2-CD1 4.01Å; F362-L366 HydrophobicContact CG-CD1 3.77Å; F362-L366 HydrophobicContact CG-CD2 4.14Å; F362-L366 HydrophobicContact CG-CG 4.48Å; F362-L366 HydrophobicContact CZ-CD1 4.12Å
367R91.4Very high85.6Confident62 Ų6237 Ų3723%0.23421%0.211CC..EExtended strand (participates in β ladder)trans-129.2137.3179.8-161.3175.2-175.9-146.4-9.9110.8E218 W254 G255 V280 C281E218-R367 IonicContact OE1-NH1 3.96Å; E218-R367 IonicContact OE1-NH2 2.7Å; E218-R367 PolarHBondContact OE1-NH2 3.4Å; W254-R367 HydrophobicContact CB-CG 4.48Å; W254-R367 VanDerWaalsContact CB-NH1 3.29Å; G255-R367 WeakPolarHBondContact O-CG 3.47Å; G255-R367 VanDerWaalsContact O-CZ 3.3Å; G255-R367 PolarHBondContact O-NE 3.12Å; G255-R367 PolarHBondContact O-NH2 3.46Å; G255-R367 VanDerWaalsContact O-NH2 3.11Å; V280-R367 WeakPolarHBondContact CA-O 3.43Å; C281-R367 PolarHBondContact N-O 3.31Å; C281-R367 PolarHBondContact O-N 3.38Å
368P93.1Very high85.3Confident0 Ų038.9 Ų38.90%022%0.222CC..EExtended strand (participates in β ladder)trans-60.5140.8169.4-19.529.8000111.2I212 W254 G255 Q257 F259 W266 G279 F370I212-P368 HydrophobicContact CD1-CG 3.93Å; I212-P368 HydrophobicContact CG2-CB 4.31Å; I212-P368 HydrophobicContact CG2-CG 4.26Å; W254-P368 WeakPolarHBondContact CA-O 3.46Å; G255-P368 PolarHBondContact N-O 3.17Å; Q257-P368 WeakPolarHBondContact O-CD 3.47Å; F259-P368 HydrophobicContact CE2-CG 3.82Å; W266-P368 HydrophobicContact CZ2-CB 4.22Å; W266-P368 HydrophobicContact CZ2-CG 4.33Å; G279-P368 WeakPolarHBondContact O-CA 3.39Å; P368-F370 HydrophobicContact CB-CE2 3.71Å; P368-F370 HydrophobicContact CB-CZ 3.75Å
369I88.8Confident84.9Confident1 Ų136.8 Ų36.81%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-134.5139177-169.7170.4000109.6F171 L252 F278 G279 C281 L300F171-I369 HydrophobicContact CD2-CD1 3.97Å; F171-I369 HydrophobicContact CE2-CD1 4.16Å; L252-I369 HydrophobicContact CD1-CD1 3.97Å; L252-I369 HydrophobicContact CD1-CG1 3.78Å; L252-I369 HydrophobicContact CD2-CD1 4.44Å; L252-I369 HydrophobicContact CG-CG1 4.44Å; F278-I369 CarbonylContact C-O 3.51Å; F278-I369 WeakPolarHBondContact CA-O 3.36Å; F278-I369 WeakPolarHBondContact CB-O 3.45Å; G279-I369 PolarHBondContact N-O 3.49Å; G279-I369 PolarHBondContact O-N 2.86Å; C281-I369 HydrophobicContact CB-CG2 4.45Å; L300-I369 HydrophobicContact CD1-CG2 3.82Å
370F87.3Confident84.6Confident0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-137.3134.7-176.2-50.7-83.1000109.6I212 L214 I223 I232 I234 L252 A253 V268 A277 F278 P368I212-F370 HydrophobicContact CG2-CE2 3.92Å; I212-F370 HydrophobicContact CG2-CZ 3.84Å; L214-F370 HydrophobicContact CD2-CD2 4.12Å; L214-F370 HydrophobicContact CD2-CE2 4.22Å; I223-F370 HydrophobicContact CD1-CB 4.18Å; I223-F370 WeakPolarHBondContact CD1-O 3.42Å; I223-F370 HydrophobicContact CG2-CB 4Å; I232-F370 HydrophobicContact CB-CE1 4.23Å; I232-F370 HydrophobicContact CB-CZ 4.42Å; I232-F370 HydrophobicContact CG1-CE1 4.23Å; I232-F370 HydrophobicContact CG1-CE2 4.34Å; I232-F370 HydrophobicContact CG1-CZ 3.93Å; I232-F370 HydrophobicContact CG2-CD1 4.08Å; I232-F370 HydrophobicContact CG2-CE1 4.19Å; I232-F370 HydrophobicContact CG2-CG 4.27Å; I232-F370 HydrophobicContact CG2-CZ 4.47Å; I234-F370 HydrophobicContact CD1-CB 4.14Å; I234-F370 HydrophobicContact CD1-CD1 4.11Å; L252-F370 CarbonylContact C-O 3.58Å; L252-F370 WeakPolarHBondContact CA-O 3.38Å; L252-F370 WeakPolarHBondContact CD1-O 3.44Å; A253-F370 PolarHBondContact N-O 3.39Å; A253-F370 PolarHBondContact O-N 3.14Å; V268-F370 HydrophobicContact CG2-CD1 4.28Å; V268-F370 HydrophobicContact CG2-CE1 3.71Å; A277-F370 CarbonylContact O-C 3.51Å; F278-F370 HydrophobicContact CB-CD1 3.61Å; F278-F370 HydrophobicContact CB-CE1 4.23Å; F278-F370 HydrophobicContact CB-CG 4.44Å; F278-F370 HydrophobicContact CD2-CE1 4.43Å; F278-F370 HydrophobicContact CG-CD1 4.35Å; P368-F370 HydrophobicContact CB-CE2 3.71Å; P368-F370 HydrophobicContact CB-CZ 3.75Å
371C83.1Confident84.3Confident2 Ų231.9 Ų31.91%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-137.6145.8178.5-170.60000111.7F171 L175 F251 L252 W276 A277F171-C371 HydrophobicContact CD1-CB 3.48Å; F171-C371 VanDerWaalsContact CD1-CB 3.48Å; F171-C371 VanDerWaalsContact CD1-SG 3.54Å; F171-C371 HydrophobicContact CE1-CB 3.16Å; F171-C371 HydrophobicContact CZ-CB 4.04Å; L175-C371 HydrophobicContact CD1-CB 4.28Å; L175-C371 VanDerWaalsContact CD1-SG 3.57Å; F251-C371 CarbonylContact O-C 3.57Å; F251-C371 WeakPolarHBondContact O-CA 3.27Å; F251-C371 PolarHBondContact O-SG 3.26Å; L252-C371 HydrophobicContact CD1-CB 3.69Å; W276-C371 VanDerWaalsContact CA-O 3.28Å; W276-C371 WeakPolarHBondContact CA-O 3.44Å; A277-C371 PolarHBondContact N-O 3.06Å; A277-C371 PolarHBondContact O-N 3.26Å
372C80.8Confident84Confident1 Ų129.5 Ų29.51%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-133.9139.2170.3-152.10000109.7I234 S250 F251 W274 N275I234-C372 HydrophobicContact CG2-CB 3.58Å; I234-C372 VanDerWaalsContact CG2-SG 3.56Å; S250-C372 CarbonylContact C-O 3.59Å; S250-C372 WeakPolarHBondContact CA-O 3.32Å; F251-C372 PolarHBondContact N-O 3.29Å; F251-C372 PolarHBondContact O-N 3.02Å; W274-C372 WeakPolarHBondContact CB-SG 3.37Å; W274-C372 HydrophobicContact CE3-CB 4.13Å; N275-C372 CarbonylContact O-C 3.59Å; N275-C372 WeakPolarHBondContact O-CA 3.29Å; N275-C372 PolarHBondContact O-SG 3.31Å; N275-C372 VanDerWaalsContact O-SG 3.35Å
373V73.3Confident83.5Confident17 Ų1730.2 Ų30.210%0.10317%0.167CC..EExtended strand (participates in β ladder)trans-126.5128.2175-176.90000108.8L175 N275 L375L175-V373 HydrophobicContact CD1-CG2 3.49Å; L175-V373 VanDerWaalsContact CD1-CG2 3.49Å; N275-V373 HydrophobicContact CB-CB 4.25Å; N275-V373 PolarHBondContact N-O 3.11Å; N275-V373 PolarHBondContact O-N 2.91Å; V373-L375 HydrophobicContact CG1-CD2 4.27Å; V373-L375 HydrophobicContact CG1-CG 4.38Å
374H69.2Low83.1Confident58 Ų5827.8 Ų27.827%0.26915%0.146SC..EExtended strand (participates in β ladder)trans-102.5121.7163.5-167.4-70.7000107.9P248 T249 W274P248-H374 CarbonylContact C-O 3.53Å; P248-H374 WeakPolarHBondContact CA-O 3.23Å; T249-H374 PolarHBondContact N-O 3.5Å; T249-H374 PolarHBondContact O-N 3.27Å; W274-H374 HydrophobicContact CD2-CB 4.03Å; W274-H374 AromaticContact CD2-CD2 4Å; W274-H374 AromaticContact CE2-CD2 3.45Å; W274-H374 VanDerWaalsContact CE2-CD2 3.45Å; W274-H374 HydrophobicContact CE3-CB 3.65Å; W274-H374 HydrophobicContact CH2-CB 3.61Å; W274-H374 AromaticContact CH2-CD2 3.95Å; W274-H374 HydrophobicContact CZ2-CB 3.99Å; W274-H374 AromaticContact CZ2-CD2 3.42Å; W274-H374 VanDerWaalsContact CZ2-CD2 3.42Å; W274-H374 WeakPolarHBondContact CZ2-CD2 2.91Å; W274-H374 HydrophobicContact CZ3-CB 3.47Å; W274-H374 VanDerWaalsContact CZ3-CB 3.47Å; W274-H374 AromaticContact NE1-CD2 3.73Å
375L61.4Low82.9Confident98 Ų9824.3 Ų24.351%0.51312%0.12SC..  trans-84.10174.1-68.4166.9000110.7E179 P248 N275 V373E179-L375 WeakPolarHBondContact OE1-CD1 3.25Å; E179-L375 WeakPolarHBondContact OE2-CD1 3.28Å; P248-L375 HydrophobicContact CB-CD2 4.28Å; N275-L375 WeakPolarHBondContact ND2-CD1 3.37Å; V373-L375 HydrophobicContact CG1-CD2 4.27Å; V373-L375 HydrophobicContact CG1-CG 4.38Å

Retrieved 375 of 375 residues in 429.2 ms (Link to these results)

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