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HTH-type transcriptional regulator ArgP

Controls the transcription of genes involved in arginine and lysine metabolism. Activates transcription of several genes, including argO, lysP, lysC, asd, dapB, dapD, lysA, gdhA and argK. Acts by binding directly to their promoter or control region1,2,3,4,5. ArgP dimer by itself is able to bind the argO promoter-operator region to form a binary complex, but the formation of a ternary complex with RNA polymerase is greatly stimulated only in presence of a coeffector. Both arginine and lysine are coeffectors at the argO promoter, but only arginine is competent to activate transcription. Lysine has repressive effects6,7. ArgP also mediates lysine repression of dapB, and gdhA in vivo, but via an alternative mechanism: ArgP binding is directly reduced upon the addition of lysine8. Binds in vitro to the promoter region of dnaA and to the upstream region of the nrd promoter, but these genes are probably not regulated by ArgP in vivo9,10,11. In vitro, also binds to the three 13-mers located in the origin region (oriC) and blocks the initiation of replication12.

AlphaFold DB , UniProt , Accession P0A8S1, Species ECOLI (Escherichia coli (strain K12)), Gene argP, Length 297 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
1M51.4Low82.4Confident237 Ų23798.5 Ų98.5100%1.16744%0.437SS*.  0116.40-94.7163.981.900108.7R3M1-R3 PolarHBondContact O-N 3.41Å
2K63.2Low83.5Confident181 Ų18190.3 Ų90.379%0.78740%0.4SS*.PPolyproline II helixtrans-70.6126.3170.9-69.9-178178.3178.50107.8M45K2-M45 HydrophobicContact CB-CG 3.87Å; K2-M45 HydrophobicContact CB-SD 3.68Å; K2-M45 HydrophobicContact CD-CG 4.28Å
3R77.5Confident84.3Confident230 Ų23084.4 Ų84.487%0.86838%0.375SS*.PPolyproline II helixtrans-86.2134.1175.2-69.9-176.8177-177.5-1.3108.4M1M1-R3 PolarHBondContact O-N 3.41Å
4P78.4Confident84.9Confident38 Ų3878.9 Ų78.925%0.24735%0.353CS..PPolyproline II helixtrans-60.4141.3174.524.2-31.5000110.8L9 L42 M45 F46P4-L9 HydrophobicContact CB-CD1 3.97Å; P4-L9 HydrophobicContact CB-CD2 4.38Å; P4-L9 HydrophobicContact CB-CG 4.02Å; P4-L9 HydrophobicContact CG-CD1 3.84Å; P4-L9 HydrophobicContact CG-CG 4.38Å; P4-L42 HydrophobicContact CB-CD1 3.69Å; P4-M45 HydrophobicContact CB-CE 3.46Å; P4-M45 VanDerWaalsContact CB-CE 3.46Å; P4-M45 HydrophobicContact CG-CE 4.26Å; P4-F46 HydrophobicContact CB-CE2 4.46Å
5D85.3Confident85.7Confident86 Ų8673.6 Ų73.646%0.4633%0.329SS..PPolyproline II helixtrans-72.5133167.1175.813000108.9R7 T8 L9D5-R7 PolarHBondContact O-N 2.96Å; D5-R7 VanDerWaalsContact O-N 3.17Å; D5-R7 PolarHBondContact OD1-N 3.17Å; D5-T8 HydrophobicContact CB-CG2 4.25Å; D5-T8 PolarHBondContact O-N 3.4Å; D5-T8 PolarHBondContact O-OG1 3.39Å; D5-L9 PolarHBondContact O-N 3.49Å
6Y88.4Confident86.1Confident75 Ų7570.9 Ų70.929%0.29432%0.318SS..Hα-helixtrans-52.3-38.6178.9-169.3-108.7000112T8 L9 Q10 L70 E74 E77Y6-T8 PolarHBondContact O-N 3.35Å; Y6-L9 PolarHBondContact O-N 3.04Å; Y6-L9 VanDerWaalsContact O-N 3.15Å; Y6-Q10 VanDerWaalsContact CD1-CD 3.44Å; Y6-Q10 HydrophobicContact CD1-CG 3.88Å; Y6-Q10 HydrophobicContact CE1-CG 3.82Å; Y6-Q10 HydrophobicContact CG-CG 4.46Å; Y6-Q10 WeakPolarHBondContact O-CB 3.17Å; Y6-Q10 WeakPolarHBondContact O-CG 3.29Å; Y6-Q10 PolarHBondContact O-N 3.09Å; Y6-L70 HydrophobicContact CD2-CD1 3.68Å; Y6-L70 HydrophobicContact CE2-CD1 3.33Å; Y6-E74 HydrophobicContact CE2-CG 4.39Å; Y6-E74 VanDerWaalsContact OH-CG 3.23Å; Y6-E74 WeakPolarHBondContact OH-CG 3.12Å; Y6-E77 PolarHBondContact OH-OE2 3.26Å; Y6-E77 VanDerWaalsContact OH-OE2 3.13Å
7R90.5Very high86.4Confident156 Ų15671.7 Ų71.759%0.58932%0.318SS*.Hα-helixtrans-61.5-30.5178.1-64.7175.7174.8175.8-0.2113.5D5 A11D5-R7 PolarHBondContact O-N 2.96Å; D5-R7 VanDerWaalsContact O-N 3.17Å; D5-R7 PolarHBondContact OD1-N 3.17Å; R7-A11 PolarHBondContact O-N 3.28Å
8T92.5Very high86.8Confident8 Ų871.3 Ų71.35%0.04932%0.318CS..Hα-helixtrans-78.9-36178.562.70000111.7D5 Y6 A11 L12 R38D5-T8 HydrophobicContact CB-CG2 4.25Å; D5-T8 PolarHBondContact O-N 3.4Å; D5-T8 PolarHBondContact O-OG1 3.39Å; Y6-T8 PolarHBondContact O-N 3.35Å; T8-A11 PolarHBondContact O-N 3.35Å; T8-L12 PolarHBondContact O-N 3.5Å; T8-L12 VanDerWaalsContact O-N 3.17Å; T8-R38 HydrophobicContact CG2-CB 4.17Å; T8-R38 HydrophobicContact CG2-CG 4.38Å
9L93.1Very high87.1Confident12 Ų1276.8 Ų76.86%0.06334%0.336CS..Hα-helixtrans-67.5-44.3172-70.1172000111.6P4 D5 Y6 A11 L12 D13 L42 L66 L70P4-L9 HydrophobicContact CB-CD1 3.97Å; P4-L9 HydrophobicContact CB-CD2 4.38Å; P4-L9 HydrophobicContact CB-CG 4.02Å; P4-L9 HydrophobicContact CG-CD1 3.84Å; P4-L9 HydrophobicContact CG-CG 4.38Å; D5-L9 PolarHBondContact O-N 3.49Å; Y6-L9 PolarHBondContact O-N 3.04Å; Y6-L9 VanDerWaalsContact O-N 3.15Å; L9-A11 PolarHBondContact O-N 2.86Å; L9-L12 WeakPolarHBondContact O-CB 3.26Å; L9-L12 PolarHBondContact O-N 2.88Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L9-D13 PolarHBondContact O-N 2.76Å; L9-L42 HydrophobicContact CD2-CD1 4.19Å; L9-L42 HydrophobicContact CD2-CD2 3.98Å; L9-L66 HydrophobicContact CD2-CB 3.82Å; L9-L66 HydrophobicContact CD2-CD1 4.4Å; L9-L66 HydrophobicContact CD2-CG 4.48Å; L9-L70 HydrophobicContact CB-CD1 4.03Å; L9-L70 HydrophobicContact CB-CD2 4.12Å; L9-L70 HydrophobicContact CB-CG 4.48Å; L9-L70 HydrophobicContact CD1-CD1 4.48Å
10Q91.7Very high87.5Confident60 Ų6073.8 Ų73.828%0.2833%0.327SS..Hα-helixtrans-58.4-37173.8-73.7-176.6-39.600112.2Y6 D13 A14Y6-Q10 VanDerWaalsContact CD1-CD 3.44Å; Y6-Q10 HydrophobicContact CD1-CG 3.88Å; Y6-Q10 HydrophobicContact CE1-CG 3.82Å; Y6-Q10 HydrophobicContact CG-CG 4.46Å; Y6-Q10 WeakPolarHBondContact O-CB 3.17Å; Y6-Q10 WeakPolarHBondContact O-CG 3.29Å; Y6-Q10 PolarHBondContact O-N 3.09Å; Q10-D13 PolarHBondContact O-N 3.4Å; Q10-A14 VanDerWaalsContact O-CB 3.23Å; Q10-A14 WeakPolarHBondContact O-CB 3.32Å; Q10-A14 PolarHBondContact O-N 3.05Å
11A94.7Very high87.9Confident0 Ų072 Ų720%032%0.319CS..Hα-helixtrans-64.8-44174.600000111.9R7 T8 L9 V15 L28 V35 R38 I39R7-A11 PolarHBondContact O-N 3.28Å; T8-A11 PolarHBondContact O-N 3.35Å; L9-A11 PolarHBondContact O-N 2.86Å; A11-V15 WeakPolarHBondContact O-CG2 3.15Å; A11-V15 PolarHBondContact O-N 3.23Å; A11-V15 VanDerWaalsContact O-N 3.11Å; A11-L28 HydrophobicContact CB-CD1 4.38Å; A11-V35 HydrophobicContact CB-CG1 4.48Å; A11-R38 HydrophobicContact CB-CB 3.79Å; A11-I39 HydrophobicContact CB-CG1 4.36Å
12L95.3Very high90Very high0 Ų066.6 Ų66.60%029%0.291CS..Hα-helixtrans-60.8-48.5174.4179.364.3000111.1T8 L9 V15 I16 I39 L42 L50 L51 L67T8-L12 PolarHBondContact O-N 3.5Å; T8-L12 VanDerWaalsContact O-N 3.17Å; L9-L12 WeakPolarHBondContact O-CB 3.26Å; L9-L12 PolarHBondContact O-N 2.88Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L12-V15 PolarHBondContact O-N 3.04Å; L12-I16 WeakPolarHBondContact O-CG1 3.1Å; L12-I16 PolarHBondContact O-N 3.23Å; L12-I16 VanDerWaalsContact O-N 3.14Å; L12-I39 HydrophobicContact CB-CG1 4.49Å; L12-L42 HydrophobicContact CB-CD2 4.17Å; L12-L42 HydrophobicContact CD2-CD2 3.96Å; L12-L50 HydrophobicContact CD1-CB 4.44Å; L12-L50 HydrophobicContact CD2-CB 4.23Å; L12-L51 HydrophobicContact CD1-CB 4.2Å; L12-L51 HydrophobicContact CD1-CD1 4.23Å; L12-L67 HydrophobicContact CB-CD2 4.41Å; L12-L67 HydrophobicContact CD2-CD2 4.12Å; L12-L67 HydrophobicContact CD2-CG 4.14Å; L12-L67 HydrophobicContact CG-CD2 3.99Å; L12-L67 HydrophobicContact CG-CG 4.34Å
13D93.5Very high91.6Very high14 Ų1465.2 Ų65.28%0.07528%0.281CS..Hα-helixtrans-61.4-46-179.5-174.362.3000111.9L9 Q10 V15 I16 R17 L67 L70 R71L9-D13 PolarHBondContact O-N 2.76Å; Q10-D13 PolarHBondContact O-N 3.4Å; D13-V15 VanDerWaalsContact C-N 3.34Å; D13-V15 PolarHBondContact O-N 3.06Å; D13-I16 PolarHBondContact O-N 3.09Å; D13-R17 WeakPolarHBondContact O-CB 3.33Å; D13-R17 WeakPolarHBondContact O-CG 3.23Å; D13-R17 PolarHBondContact O-N 3.48Å; D13-R17 IonicContact OD1-CZ 3.24Å; D13-R17 IonicContact OD1-NE 3.41Å; D13-R17 PolarHBondContact OD1-NE 3.29Å; D13-R17 IonicContact OD1-NH2 2.62Å; D13-R17 PolarHBondContact OD1-NH2 3.39Å; D13-R17 WeakPolarHBondContact OD2-CD 3.41Å; D13-R17 IonicContact OD2-CZ 3.39Å; D13-R17 IonicContact OD2-NE 3.56Å; D13-R17 PolarHBondContact OD2-NE 2.74Å; D13-R17 IonicContact OD2-NH2 3.33Å; D13-L67 VanDerWaalsContact CA-CD2 3.43Å; D13-L67 HydrophobicContact CB-CD2 3.49Å; D13-L67 VanDerWaalsContact CB-CD2 3.49Å; D13-L70 HydrophobicContact CB-CD2 3.61Å; D13-R71 IonicContact OD1-NH2 3.39Å
14A93.6Very high92.4Very high7 Ų754.2 Ų54.26%0.05824%0.24CC..Hα-helixtrans-59-42.3175.900000112.2Q10 I16 R17 E18 A24 L28Q10-A14 VanDerWaalsContact O-CB 3.23Å; Q10-A14 WeakPolarHBondContact O-CB 3.32Å; Q10-A14 PolarHBondContact O-N 3.05Å; A14-I16 VanDerWaalsContact C-N 3.35Å; A14-I16 PolarHBondContact O-N 3.36Å; A14-R17 PolarHBondContact O-N 2.72Å; A14-E18 WeakPolarHBondContact O-CB 3.43Å; A14-E18 VanDerWaalsContact O-CG 3.24Å; A14-E18 WeakPolarHBondContact O-CG 3.46Å; A14-E18 PolarHBondContact O-N 2.96Å; A14-A24 HydrophobicContact CB-CB 3.81Å; A14-L28 HydrophobicContact CB-CD1 3.67Å; A14-L28 HydrophobicContact CB-CD2 4.25Å; A14-L28 HydrophobicContact CB-CG 3.9Å
15V96Very high93.3Very high0 Ų052.7 Ų52.70%023%0.23CC..Hα-helixtrans-63-40.9177.6172.50000112.1A11 L12 D13 R19 G20 F21 A24 V35 I39 L51 P57A11-V15 WeakPolarHBondContact O-CG2 3.15Å; A11-V15 PolarHBondContact O-N 3.23Å; A11-V15 VanDerWaalsContact O-N 3.11Å; L12-V15 PolarHBondContact O-N 3.04Å; D13-V15 VanDerWaalsContact C-N 3.34Å; D13-V15 PolarHBondContact O-N 3.06Å; V15-R19 PolarHBondContact O-N 3.32Å; V15-G20 PolarHBondContact O-N 3.13Å; V15-G20 VanDerWaalsContact O-N 3.12Å; V15-F21 HydrophobicContact CG1-CD1 4.46Å; V15-F21 HydrophobicContact CG1-CD2 3.93Å; V15-F21 HydrophobicContact CG1-CE1 4.39Å; V15-F21 HydrophobicContact CG1-CE2 3.83Å; V15-F21 HydrophobicContact CG1-CG 4.24Å; V15-F21 HydrophobicContact CG1-CZ 4.07Å; V15-F21 HydrophobicContact CG2-CD1 3.95Å; V15-F21 HydrophobicContact CG2-CE1 4.22Å; V15-F21 HydrophobicContact CG2-CG 4.2Å; V15-A24 HydrophobicContact CB-CB 4.32Å; V15-A24 HydrophobicContact CG2-CB 3.62Å; V15-V35 HydrophobicContact CG2-CG1 3.44Å; V15-V35 VanDerWaalsContact CG2-CG1 3.44Å; V15-I39 HydrophobicContact CB-CD1 4.09Å; V15-I39 HydrophobicContact CG2-CD1 3.58Å; V15-L51 HydrophobicContact CB-CD1 4.37Å; V15-L51 HydrophobicContact CG1-CD1 3.56Å; V15-P57 HydrophobicContact CG1-CB 4.05Å; V15-P57 HydrophobicContact CG1-CG 4.09Å
16I93.3Very high93.8Very high31 Ų3154.9 Ų54.916%0.15924%0.238CC..Hα-helixtrans-69.1-47.5178.4-63.3-47.9000111.1L12 D13 A14 R19 L51 P57 P59 L67L12-I16 WeakPolarHBondContact O-CG1 3.1Å; L12-I16 PolarHBondContact O-N 3.23Å; L12-I16 VanDerWaalsContact O-N 3.14Å; D13-I16 PolarHBondContact O-N 3.09Å; A14-I16 VanDerWaalsContact C-N 3.35Å; A14-I16 PolarHBondContact O-N 3.36Å; I16-R19 PolarHBondContact O-N 3.45Å; I16-L51 HydrophobicContact CD1-CD1 3.79Å; I16-L51 HydrophobicContact CD1-CG 4.39Å; I16-P57 HydrophobicContact CD1-CB 4.43Å; I16-P59 HydrophobicContact CD1-CB 4.39Å; I16-P59 HydrophobicContact CG1-CB 4.42Å; I16-L67 HydrophobicContact CB-CD1 4.37Å; I16-L67 HydrophobicContact CG1-CD1 3.92Å; I16-L67 HydrophobicContact CG2-CD1 4.48Å
17R89.9Confident94Very high84 Ų8457.4 Ų57.432%0.31725%0.25SC..Hα-helixtrans-65.7-45.7-178.3-70.3-175.1-171.2-71.75.5112.8D13 A14 R19 L92D13-R17 WeakPolarHBondContact O-CB 3.33Å; D13-R17 WeakPolarHBondContact O-CG 3.23Å; D13-R17 PolarHBondContact O-N 3.48Å; D13-R17 IonicContact OD1-CZ 3.24Å; D13-R17 IonicContact OD1-NE 3.41Å; D13-R17 PolarHBondContact OD1-NE 3.29Å; D13-R17 IonicContact OD1-NH2 2.62Å; D13-R17 PolarHBondContact OD1-NH2 3.39Å; D13-R17 WeakPolarHBondContact OD2-CD 3.41Å; D13-R17 IonicContact OD2-CZ 3.39Å; D13-R17 IonicContact OD2-NE 3.56Å; D13-R17 PolarHBondContact OD2-NE 2.74Å; D13-R17 IonicContact OD2-NH2 3.33Å; A14-R17 PolarHBondContact O-N 2.72Å; R17-R19 PolarHBondContact O-N 2.87Å; R17-L92 VanDerWaalsContact NH2-CD2 3.35Å
18E93.6Very high94.1Very high65 Ų6552.3 Ų52.330%0.30423%0.234SC..THydrogen-bonded Turntrans-80.4-1.4-178.6-58.3-57.7156.600112.8A14 G20 R23 K27A14-E18 WeakPolarHBondContact O-CB 3.43Å; A14-E18 VanDerWaalsContact O-CG 3.24Å; A14-E18 WeakPolarHBondContact O-CG 3.46Å; A14-E18 PolarHBondContact O-N 2.96Å; E18-G20 PolarHBondContact O-N 3.24Å; E18-R23 HydrophobicContact CB-CB 3.67Å; E18-R23 HydrophobicContact CG-CB 4.45Å; E18-R23 VanDerWaalsContact O-CD 3.27Å; E18-R23 WeakPolarHBondContact O-CD 3.47Å; E18-K27 HydrophobicContact CG-CB 4.24Å; E18-K27 HydrophobicContact CG-CG 4.46Å
19R94.1Very high94.2Very high176 Ų17657.5 Ų57.566%0.66427%0.27SS*.THydrogen-bonded Turntrans58.228.1178.9-59.6-176.4179-172.9-0.3113.4V15 I16 R17 P56 P57V15-R19 PolarHBondContact O-N 3.32Å; I16-R19 PolarHBondContact O-N 3.45Å; R17-R19 PolarHBondContact O-N 2.87Å; R19-P56 HydrophobicContact CB-CB 3.75Å; R19-P56 HydrophobicContact CG-CB 4.22Å; R19-P57 WeakPolarHBondContact O-CD 3.4Å
20G94.8Very high94.4Very high16 Ų1659.2 Ų59.217%0.16528%0.278CS..SBendtrans172.8153.3-178.600000114.8V15 E18 A24V15-G20 PolarHBondContact O-N 3.13Å; V15-G20 VanDerWaalsContact O-N 3.12Å; E18-G20 PolarHBondContact O-N 3.24Å; G20-A24 WeakPolarHBondContact O-CB 2.98Å; G20-A24 PolarHBondContact O-N 2.94Å
21F95.7Very high94.6Very high37 Ų3760.7 Ų60.716%0.16229%0.292CS..Hα-helixtrans-69-38.8-177.7-75.4-100.6000113.6V15 A25 Q32 V35 I39 L51 P57V15-F21 HydrophobicContact CG1-CD1 4.46Å; V15-F21 HydrophobicContact CG1-CD2 3.93Å; V15-F21 HydrophobicContact CG1-CE1 4.39Å; V15-F21 HydrophobicContact CG1-CE2 3.83Å; V15-F21 HydrophobicContact CG1-CG 4.24Å; V15-F21 HydrophobicContact CG1-CZ 4.07Å; V15-F21 HydrophobicContact CG2-CD1 3.95Å; V15-F21 HydrophobicContact CG2-CE1 4.22Å; V15-F21 HydrophobicContact CG2-CG 4.2Å; F21-A25 WeakPolarHBondContact O-CB 3.26Å; F21-A25 PolarHBondContact O-N 2.91Å; F21-Q32 HydrophobicContact CB-CG 3.89Å; F21-V35 HydrophobicContact CD1-CG1 4.01Å; F21-I39 HydrophobicContact CD1-CD1 4.41Å; F21-I39 HydrophobicContact CE1-CD1 3.67Å; F21-I39 HydrophobicContact CZ-CD1 4.23Å; F21-L51 HydrophobicContact CE2-CD1 4.43Å; F21-L51 HydrophobicContact CE2-CD2 4.19Å; F21-L51 HydrophobicContact CZ-CD1 4.2Å; F21-L51 HydrophobicContact CZ-CD2 4.1Å; F21-P57 HydrophobicContact CD2-CG 4.37Å; F21-P57 HydrophobicContact CE2-CG 4.22Å
22E95.6Very high94.7Very high123 Ų12365.9 Ų65.958%0.57532%0.316SS*.Hα-helixtrans-66.8-47.1-178.9-174-179.8178.700111.7A24 A25 Q26E22-A24 PolarHBondContact O-N 3.36Å; E22-A25 WeakPolarHBondContact O-CB 3.45Å; E22-A25 PolarHBondContact O-N 3.28Å; E22-A25 VanDerWaalsContact O-N 3.16Å; E22-Q26 WeakPolarHBondContact O-CG 3.31Å; E22-Q26 PolarHBondContact O-N 3.45Å
23R95.8Very high94.7Very high151 Ų15169.3 Ų69.357%0.5734%0.34SS*.Hα-helixtrans-64.2-39.9177.1-66.4178.2-179.4169.7-0.4112.1E18 A25 Q26 K27E18-R23 HydrophobicContact CB-CB 3.67Å; E18-R23 HydrophobicContact CG-CB 4.45Å; E18-R23 VanDerWaalsContact O-CD 3.27Å; E18-R23 WeakPolarHBondContact O-CD 3.47Å; R23-A25 VanDerWaalsContact C-N 3.3Å; R23-A25 PolarHBondContact O-N 2.83Å; R23-Q26 PolarHBondContact O-N 2.98Å; R23-K27 WeakPolarHBondContact O-CB 3.46Å; R23-K27 PolarHBondContact O-N 2.99Å
24A95.1Very high94.9Very high0 Ų069.8 Ų69.80%035%0.346CS..Hα-helixtrans-60.6-40.4172.800000112.4A14 V15 G20 E22 K27 L28A14-A24 HydrophobicContact CB-CB 3.81Å; V15-A24 HydrophobicContact CB-CB 4.32Å; V15-A24 HydrophobicContact CG2-CB 3.62Å; G20-A24 WeakPolarHBondContact O-CB 2.98Å; G20-A24 PolarHBondContact O-N 2.94Å; E22-A24 PolarHBondContact O-N 3.36Å; A24-K27 PolarHBondContact O-N 3.42Å; A24-L28 WeakPolarHBondContact O-CB 3.45Å; A24-L28 VanDerWaalsContact O-CG 3.31Å; A24-L28 WeakPolarHBondContact O-CG 3.47Å; A24-L28 PolarHBondContact O-N 3.13Å
25A96.1Very high95Very high6 Ų669.4 Ų69.45%0.0534%0.343CS..Hα-helixtrans-63.3-44.6177.300000111.7F21 E22 R23 L28 C29 I30 Q32 V35F21-A25 WeakPolarHBondContact O-CB 3.26Å; F21-A25 PolarHBondContact O-N 2.91Å; E22-A25 WeakPolarHBondContact O-CB 3.45Å; E22-A25 PolarHBondContact O-N 3.28Å; E22-A25 VanDerWaalsContact O-N 3.16Å; R23-A25 VanDerWaalsContact C-N 3.3Å; R23-A25 PolarHBondContact O-N 2.83Å; A25-L28 PolarHBondContact O-N 2.82Å; A25-C29 PolarHBondContact O-N 3.4Å; A25-I30 CarbonylContact C-O 3.44Å; A25-I30 WeakPolarHBondContact CB-O 3.44Å; A25-I30 PolarHBondContact O-N 3.19Å; A25-Q32 HydrophobicContact CB-CB 4.23Å; A25-V35 HydrophobicContact CB-CG2 3.76Å
26Q95.9Very high95Very high132 Ų13271.6 Ų71.662%0.61736%0.358SS*.Hα-helixtrans-60-47.5173.5-68.3173.30.100111.4E22 R23 L28 C29E22-Q26 WeakPolarHBondContact O-CG 3.31Å; E22-Q26 PolarHBondContact O-N 3.45Å; R23-Q26 PolarHBondContact O-N 2.98Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.31Å; Q26-C29 PolarHBondContact O-N 3.33Å; Q26-C29 VanDerWaalsContact O-N 3.15Å
27K93Very high95.1Very high127 Ų12775.9 Ų75.955%0.55238%0.377SS*.Hα-helixtrans-60.7-39.4179.8-179.961.2177.6177.70113E18 R23 A24 C29E18-K27 HydrophobicContact CG-CB 4.24Å; E18-K27 HydrophobicContact CG-CG 4.46Å; R23-K27 WeakPolarHBondContact O-CB 3.46Å; R23-K27 PolarHBondContact O-N 2.99Å; A24-K27 PolarHBondContact O-N 3.42Å; K27-C29 VanDerWaalsContact C-N 3.33Å
28L93.1Very high95.4Very high49 Ų4974.8 Ų74.826%0.25737%0.373SS..THydrogen-bonded Turntrans-891.6-179.9-65.1176.8000113.4A11 A14 A24 A25 Q26 I30A11-L28 HydrophobicContact CB-CD1 4.38Å; A14-L28 HydrophobicContact CB-CD1 3.67Å; A14-L28 HydrophobicContact CB-CD2 4.25Å; A14-L28 HydrophobicContact CB-CG 3.9Å; A24-L28 WeakPolarHBondContact O-CB 3.45Å; A24-L28 VanDerWaalsContact O-CG 3.31Å; A24-L28 WeakPolarHBondContact O-CG 3.47Å; A24-L28 PolarHBondContact O-N 3.13Å; A25-L28 PolarHBondContact O-N 2.82Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.31Å; L28-I30 VanDerWaalsContact C-N 3.29Å; L28-I30 HydrophobicContact CB-CD1 4.19Å; L28-I30 HydrophobicContact CB-CG1 3.9Å; L28-I30 HydrophobicContact CD1-CD1 4.35Å; L28-I30 PolarHBondContact O-N 3.35Å
29C95.3Very high95.5Very high118 Ų11871.8 Ų71.880%0.79736%0.359SS*.THydrogen-bonded Turntrans52.342.4-176.6-55.70000113.6A25 Q26 K27A25-C29 PolarHBondContact O-N 3.4Å; Q26-C29 PolarHBondContact O-N 3.33Å; Q26-C29 VanDerWaalsContact O-N 3.15Å; K27-C29 VanDerWaalsContact C-N 3.33Å
30I96.1Very high95.5Very high48 Ų4869.3 Ų69.325%0.24635%0.353CS..SBendtrans-133.5173176.659.7174.9000110.8A25 L28 A34 V35A25-I30 CarbonylContact C-O 3.44Å; A25-I30 WeakPolarHBondContact CB-O 3.44Å; A25-I30 PolarHBondContact O-N 3.19Å; L28-I30 VanDerWaalsContact C-N 3.29Å; L28-I30 HydrophobicContact CB-CD1 4.19Å; L28-I30 HydrophobicContact CB-CG1 3.9Å; L28-I30 HydrophobicContact CD1-CD1 4.35Å; L28-I30 PolarHBondContact O-N 3.35Å; I30-A34 HydrophobicContact CB-CB 4.27Å; I30-A34 HydrophobicContact CD1-CB 4.17Å; I30-A34 HydrophobicContact CG1-CB 4.49Å; I30-V35 HydrophobicContact CD1-CG2 3.63Å; I30-V35 HydrophobicContact CG1-CG2 3.79Å
31T96.7Very high95.4Very high91 Ų9174.7 Ų74.756%0.55837%0.374SS*.  trans-75.9152176.868.80000111.5S33 A34 V35T31-S33 PolarHBondContact O-N 3.4Å; T31-A34 WeakPolarHBondContact O-CB 3.49Å; T31-A34 PolarHBondContact O-N 3.09Å; T31-A34 WeakPolarHBondContact OG1-CB 3.49Å; T31-A34 PolarHBondContact OG1-N 2.84Å; T31-A34 VanDerWaalsContact OG1-N 3.09Å; T31-V35 PolarHBondContact O-N 3.44Å; T31-V35 VanDerWaalsContact O-N 3.07Å
32Q96.1Very high95.4Very high108 Ų10873 Ų7351%0.50537%0.367SS..Hα-helixtrans-57.3-36.4173.2-171.4-166.7-500112F21 A25 A34 V35 S36F21-Q32 HydrophobicContact CB-CG 3.89Å; A25-Q32 HydrophobicContact CB-CB 4.23Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; Q32-V35 PolarHBondContact O-N 2.85Å; Q32-S36 WeakPolarHBondContact O-CB 3.39Å; Q32-S36 PolarHBondContact O-N 3.2Å
33S96.5Very high95.3Very high72 Ų7268.3 Ų68.350%0.50335%0.345SS..Hα-helixtrans-60.7-42.9173.8-174.10000111.6T31 S36 Q37T31-S33 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact O-N 3.3Å; S33-Q37 WeakPolarHBondContact O-CB 3.49Å; S33-Q37 VanDerWaalsContact O-CG 3.3Å; S33-Q37 WeakPolarHBondContact O-CG 3.36Å; S33-Q37 PolarHBondContact O-N 2.62Å
34A96.7Very high95.2Very high24 Ų2466.6 Ų66.620%0.19835%0.347CS..Hα-helixtrans-63.9-41176.200000112.5I30 T31 Q32 Q37 R38I30-A34 HydrophobicContact CB-CB 4.27Å; I30-A34 HydrophobicContact CD1-CB 4.17Å; I30-A34 HydrophobicContact CG1-CB 4.49Å; T31-A34 WeakPolarHBondContact O-CB 3.49Å; T31-A34 PolarHBondContact O-N 3.09Å; T31-A34 WeakPolarHBondContact OG1-CB 3.49Å; T31-A34 PolarHBondContact OG1-N 2.84Å; T31-A34 VanDerWaalsContact OG1-N 3.09Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; A34-Q37 PolarHBondContact O-N 3.21Å; A34-R38 WeakPolarHBondContact O-CG 3.49Å; A34-R38 PolarHBondContact O-N 2.93Å
35V96.5Very high95.1Very high0 Ų069.4 Ų69.40%036%0.361CS..Hα-helixtrans-59.6-49.2173.2176.50000110.7A11 V15 F21 A25 I30 T31 Q32 Q37 R38 I39A11-V35 HydrophobicContact CB-CG1 4.48Å; V15-V35 HydrophobicContact CG2-CG1 3.44Å; V15-V35 VanDerWaalsContact CG2-CG1 3.44Å; F21-V35 HydrophobicContact CD1-CG1 4.01Å; A25-V35 HydrophobicContact CB-CG2 3.76Å; I30-V35 HydrophobicContact CD1-CG2 3.63Å; I30-V35 HydrophobicContact CG1-CG2 3.79Å; T31-V35 PolarHBondContact O-N 3.44Å; T31-V35 VanDerWaalsContact O-N 3.07Å; Q32-V35 PolarHBondContact O-N 2.85Å; V35-Q37 VanDerWaalsContact C-N 3.33Å; V35-Q37 PolarHBondContact O-N 3.15Å; V35-R38 PolarHBondContact O-N 3.17Å; V35-I39 HydrophobicContact CG1-CD1 4.09Å; V35-I39 PolarHBondContact O-N 3.3Å
36S95.3Very high94.8Very high45 Ų4572.2 Ų72.232%0.31537%0.372SS..Hα-helixtrans-59.9-42.1179-174.90000112.1Q32 S33 I39 K40Q32-S36 WeakPolarHBondContact O-CB 3.39Å; Q32-S36 PolarHBondContact O-N 3.2Å; S33-S36 PolarHBondContact O-N 3.3Å; S36-I39 PolarHBondContact O-N 3.05Å; S36-K40 WeakPolarHBondContact O-CB 3.37Å; S36-K40 PolarHBondContact O-N 3.46Å
37Q96.1Very high94.7Very high122 Ų12269.3 Ų69.357%0.5738%0.377SS*.Hα-helixtrans-64.3-43.6176.1-75.1176-7.400112.4S33 A34 V35 I39 K40 Q41S33-Q37 WeakPolarHBondContact O-CB 3.49Å; S33-Q37 VanDerWaalsContact O-CG 3.3Å; S33-Q37 WeakPolarHBondContact O-CG 3.36Å; S33-Q37 PolarHBondContact O-N 2.62Å; A34-Q37 PolarHBondContact O-N 3.21Å; V35-Q37 VanDerWaalsContact C-N 3.33Å; V35-Q37 PolarHBondContact O-N 3.15Å; Q37-I39 PolarHBondContact O-N 2.83Å; Q37-K40 PolarHBondContact O-N 3.03Å; Q37-Q41 WeakPolarHBondContact O-CB 3.3Å; Q37-Q41 PolarHBondContact O-N 3.08Å
38R95.5Very high94.7Very high60 Ų6067.4 Ų67.423%0.22637%0.371CS..Hα-helixtrans-60-44.9176.3-76.2-179.9-177.8-174.46.4111.8T8 A11 A34 V35 Q41 L42T8-R38 HydrophobicContact CG2-CB 4.17Å; T8-R38 HydrophobicContact CG2-CG 4.38Å; A11-R38 HydrophobicContact CB-CB 3.79Å; A34-R38 WeakPolarHBondContact O-CG 3.49Å; A34-R38 PolarHBondContact O-N 2.93Å; V35-R38 PolarHBondContact O-N 3.17Å; R38-Q41 WeakPolarHBondContact O-CB 3.36Å; R38-Q41 PolarHBondContact O-N 3.45Å; R38-L42 PolarHBondContact O-N 3.45Å
39I95.1Very high94.8Very high3 Ų369.1 Ų69.12%0.01539%0.385CS..Hα-helixtrans-65.5-44.3176.5-68.7171.3000110.5A11 L12 V15 F21 V35 S36 Q37 Q41 L42 E43A11-I39 HydrophobicContact CB-CG1 4.36Å; L12-I39 HydrophobicContact CB-CG1 4.49Å; V15-I39 HydrophobicContact CB-CD1 4.09Å; V15-I39 HydrophobicContact CG2-CD1 3.58Å; F21-I39 HydrophobicContact CD1-CD1 4.41Å; F21-I39 HydrophobicContact CE1-CD1 3.67Å; F21-I39 HydrophobicContact CZ-CD1 4.23Å; V35-I39 HydrophobicContact CG1-CD1 4.09Å; V35-I39 PolarHBondContact O-N 3.3Å; S36-I39 PolarHBondContact O-N 3.05Å; Q37-I39 PolarHBondContact O-N 2.83Å; I39-Q41 VanDerWaalsContact C-N 3.3Å; I39-Q41 PolarHBondContact O-N 3Å; I39-L42 WeakPolarHBondContact O-CB 3.48Å; I39-L42 PolarHBondContact O-N 3.37Å; I39-L42 VanDerWaalsContact O-N 3.09Å; I39-E43 HydrophobicContact CG2-CG 4.24Å; I39-E43 WeakPolarHBondContact O-CG 3.23Å; I39-E43 PolarHBondContact O-N 2.79Å
40K94.4Very high94.8Very high123 Ų12363.5 Ų63.554%0.53535%0.347SS..Hα-helixtrans-61-38.5176.5-171.9177.4-177.8-179.70112.2S36 Q37 L42 E43 N44S36-K40 WeakPolarHBondContact O-CB 3.37Å; S36-K40 PolarHBondContact O-N 3.46Å; Q37-K40 PolarHBondContact O-N 3.03Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-E43 PolarHBondContact O-N 3.42Å; K40-N44 VanDerWaalsContact O-CB 3.3Å; K40-N44 WeakPolarHBondContact O-CB 3.47Å; K40-N44 PolarHBondContact O-N 3.36Å; K40-N44 PolarHBondContact O-ND2 3.18Å; K40-N44 PolarHBondContact O-OD1 3.19Å
41Q93.9Very high94.8Very high129 Ų12961.6 Ų61.660%0.60334%0.337SS*.Hα-helixtrans-61-44.6173.5-112.6179.8-12.100111.5Q37 R38 I39 N44 M45Q37-Q41 WeakPolarHBondContact O-CB 3.3Å; Q37-Q41 PolarHBondContact O-N 3.08Å; R38-Q41 WeakPolarHBondContact O-CB 3.36Å; R38-Q41 PolarHBondContact O-N 3.45Å; I39-Q41 VanDerWaalsContact C-N 3.3Å; I39-Q41 PolarHBondContact O-N 3Å; Q41-N44 PolarHBondContact O-N 3.05Å; Q41-M45 PolarHBondContact O-N 3.15Å
42L93.8Very high94.6Very high1 Ų160.6 Ų60.61%0.00533%0.331CS..Hα-helixtrans-63.4-48.2177.3-169.165.9000110.9P4 L9 L12 R38 I39 K40 N44 M45 F46 L50P4-L42 HydrophobicContact CB-CD1 3.69Å; L9-L42 HydrophobicContact CD2-CD1 4.19Å; L9-L42 HydrophobicContact CD2-CD2 3.98Å; L12-L42 HydrophobicContact CB-CD2 4.17Å; L12-L42 HydrophobicContact CD2-CD2 3.96Å; R38-L42 PolarHBondContact O-N 3.45Å; I39-L42 WeakPolarHBondContact O-CB 3.48Å; I39-L42 PolarHBondContact O-N 3.37Å; I39-L42 VanDerWaalsContact O-N 3.09Å; K40-L42 VanDerWaalsContact C-N 3.34Å; L42-N44 PolarHBondContact O-N 3.02Å; L42-M45 HydrophobicContact CD1-CE 3.81Å; L42-M45 WeakPolarHBondContact O-CB 3.43Å; L42-M45 PolarHBondContact O-N 2.84Å; L42-M45 VanDerWaalsContact O-N 3.14Å; L42-F46 HydrophobicContact CD1-CD2 4.14Å; L42-F46 HydrophobicContact CD1-CE2 3.77Å; L42-F46 HydrophobicContact CG-CD2 4.33Å; L42-F46 HydrophobicContact CG-CE2 4.38Å; L42-F46 WeakPolarHBondContact O-CD2 3.42Å; L42-F46 PolarHBondContact O-N 3.01Å; L42-F46 VanDerWaalsContact O-N 3.14Å; L42-L50 HydrophobicContact CB-CD1 4.03Å; L42-L50 HydrophobicContact CD1-CD1 4.48Å; L42-L50 HydrophobicContact CD2-CD1 3.5Å; L42-L50 VanDerWaalsContact CD2-CD1 3.5Å; L42-L50 HydrophobicContact CG-CD1 3.34Å
43E95.2Very high94.2Very high25 Ų2563.8 Ų63.812%0.11734%0.338CS..Hα-helixtrans-58.5-45.4176-69.7-179.214300112.1I39 K40 M45 F46 G47 Q48 P49 L50I39-E43 HydrophobicContact CG2-CG 4.24Å; I39-E43 WeakPolarHBondContact O-CG 3.23Å; I39-E43 PolarHBondContact O-N 2.79Å; K40-E43 PolarHBondContact O-N 3.42Å; E43-M45 VanDerWaalsContact C-N 3.26Å; E43-M45 PolarHBondContact O-N 3.15Å; E43-F46 CarbonylContact O-C 3.58Å; E43-F46 PolarHBondContact O-N 2.99Å; E43-G47 PolarHBondContact O-N 3.39Å; E43-Q48 PolarHBondContact O-N 3.31Å; E43-P49 WeakPolarHBondContact OE1-CA 3.36Å; E43-L50 HydrophobicContact CG-CB 3.99Å; E43-L50 HydrophobicContact CG-CD1 4.2Å; E43-L50 HydrophobicContact CG-CG 3.92Å; E43-L50 PolarHBondContact OE1-N 3.04Å
44N93.8Very high93.9Very high116 Ų11663.3 Ų63.362%0.6233%0.332SS*.Hα-helixtrans-60.7-35.4176.5-73.5-14.2000112.4K40 Q41 L42K40-N44 VanDerWaalsContact O-CB 3.3Å; K40-N44 WeakPolarHBondContact O-CB 3.47Å; K40-N44 PolarHBondContact O-N 3.36Å; K40-N44 PolarHBondContact O-ND2 3.18Å; K40-N44 PolarHBondContact O-OD1 3.19Å; Q41-N44 PolarHBondContact O-N 3.05Å; L42-N44 PolarHBondContact O-N 3.02Å
45M92Very high93.5Very high59 Ų5969.4 Ų69.429%0.29137%0.367SS..Hα-helixtrans-70.8-35.1178.4-176.3-179.36700112.2K2 P4 Q41 L42 E43K2-M45 HydrophobicContact CB-CG 3.87Å; K2-M45 HydrophobicContact CB-SD 3.68Å; K2-M45 HydrophobicContact CD-CG 4.28Å; P4-M45 HydrophobicContact CB-CE 3.46Å; P4-M45 VanDerWaalsContact CB-CE 3.46Å; P4-M45 HydrophobicContact CG-CE 4.26Å; Q41-M45 PolarHBondContact O-N 3.15Å; L42-M45 HydrophobicContact CD1-CE 3.81Å; L42-M45 WeakPolarHBondContact O-CB 3.43Å; L42-M45 PolarHBondContact O-N 2.84Å; L42-M45 VanDerWaalsContact O-N 3.14Å; E43-M45 VanDerWaalsContact C-N 3.26Å; E43-M45 PolarHBondContact O-N 3.15Å
46F90.9Very high93.2Very high64 Ų6471.9 Ų71.928%0.28138%0.383SS..Hα-helixtrans-88.5-11.2177-77.5-82.3000113.9P4 L42 E43 Q48 L50 L66P4-F46 HydrophobicContact CB-CE2 4.46Å; L42-F46 HydrophobicContact CD1-CD2 4.14Å; L42-F46 HydrophobicContact CD1-CE2 3.77Å; L42-F46 HydrophobicContact CG-CD2 4.33Å; L42-F46 HydrophobicContact CG-CE2 4.38Å; L42-F46 WeakPolarHBondContact O-CD2 3.42Å; L42-F46 PolarHBondContact O-N 3.01Å; L42-F46 VanDerWaalsContact O-N 3.14Å; E43-F46 CarbonylContact O-C 3.58Å; E43-F46 PolarHBondContact O-N 2.99Å; F46-Q48 HydrophobicContact CB-CG 4.28Å; F46-Q48 PolarHBondContact O-N 3.03Å; F46-L50 HydrophobicContact CB-CD2 4.41Å; F46-L50 HydrophobicContact CD2-CD1 4.07Å; F46-L66 HydrophobicContact CD2-CD1 3.79Å; F46-L66 HydrophobicContact CE1-CD1 4.23Å; F46-L66 HydrophobicContact CE1-CD2 3.88Å; F46-L66 HydrophobicContact CE2-CD1 3.44Å; F46-L66 VanDerWaalsContact CE2-CD1 3.44Å; F46-L66 HydrophobicContact CE2-CD2 3.92Å; F46-L66 HydrophobicContact CE2-CG 4.33Å; F46-L66 HydrophobicContact CG-CD1 4.34Å; F46-L66 HydrophobicContact CZ-CD1 3.71Å; F46-L66 HydrophobicContact CZ-CD2 3.35Å; F46-L66 HydrophobicContact CZ-CG 4.14Å
47G93.1Very high93.2Very high71 Ų7170.4 Ų70.473%0.73237%0.372SS*.THydrogen-bonded Turntrans70.115.818000000114.3E43E43-G47 PolarHBondContact O-N 3.39Å
48Q93.8Very high93.1Very high87 Ų8772.5 Ų72.541%0.40738%0.375SS..SBendtrans-153.1155.2-177.761.1-175-33.100111.4E43 F46 Q62E43-Q48 PolarHBondContact O-N 3.31Å; F46-Q48 HydrophobicContact CB-CG 4.28Å; F46-Q48 PolarHBondContact O-N 3.03Å; Q48-Q62 HydrophobicContact CG-CB 4.49Å; Q48-Q62 HydrophobicContact CG-CG 4.39Å; Q48-Q62 VanDerWaalsContact NE2-CG 3.28Å
49P95.3Very high93Very high86 Ų8671.1 Ų71.156%0.55837%0.374SS*.  trans-60.5138.5173.2-21.233000111.8E43 T60E43-P49 WeakPolarHBondContact OE1-CA 3.36Å; P49-T60 HydrophobicContact CB-CG2 4.41Å; P49-T60 WeakPolarHBondContact O-CG2 3.39Å; P49-T60 PolarHBondContact O-OG1 3.35Å
50L95.1Very high93Very high0 Ų072.4 Ų72.40%038%0.382CS..SBendtrans-106.3-10177.3-63.2177.3000112.1L12 L42 E43 F46 P59 T60 Q62 G63 L66L12-L50 HydrophobicContact CD1-CB 4.44Å; L12-L50 HydrophobicContact CD2-CB 4.23Å; L42-L50 HydrophobicContact CB-CD1 4.03Å; L42-L50 HydrophobicContact CD1-CD1 4.48Å; L42-L50 HydrophobicContact CD2-CD1 3.5Å; L42-L50 VanDerWaalsContact CD2-CD1 3.5Å; L42-L50 HydrophobicContact CG-CD1 3.34Å; E43-L50 HydrophobicContact CG-CB 3.99Å; E43-L50 HydrophobicContact CG-CD1 4.2Å; E43-L50 HydrophobicContact CG-CG 3.92Å; E43-L50 PolarHBondContact OE1-N 3.04Å; F46-L50 HydrophobicContact CB-CD2 4.41Å; F46-L50 HydrophobicContact CD2-CD1 4.07Å; L50-P59 WeakPolarHBondContact O-CA 3.03Å; L50-T60 VanDerWaalsContact CA-OG1 3.29Å; L50-T60 WeakPolarHBondContact CA-OG1 3.27Å; L50-T60 PolarHBondContact O-N 2.83Å; L50-T60 PolarHBondContact O-OG1 3.28Å; L50-Q62 HydrophobicContact CD2-CB 3.84Å; L50-Q62 HydrophobicContact CD2-CG 3.49Å; L50-Q62 VanDerWaalsContact CD2-CG 3.49Å; L50-G63 WeakPolarHBondContact O-CA 3.32Å; L50-L66 HydrophobicContact CD1-CD1 3.71Å; L50-L66 HydrophobicContact CD2-CD1 3.8Å; L50-L66 HydrophobicContact CG-CD1 4.39Å
51L94.6Very high92.9Very high8 Ų873.4 Ų73.44%0.04239%0.388CS..EExtended strand (participates in β ladder)trans-138.9133.4-178.2178.6148.2000110L12 V15 I16 F21 R53 P57 R58L12-L51 HydrophobicContact CD1-CB 4.2Å; L12-L51 HydrophobicContact CD1-CD1 4.23Å; V15-L51 HydrophobicContact CB-CD1 4.37Å; V15-L51 HydrophobicContact CG1-CD1 3.56Å; I16-L51 HydrophobicContact CD1-CD1 3.79Å; I16-L51 HydrophobicContact CD1-CG 4.39Å; F21-L51 HydrophobicContact CE2-CD1 4.43Å; F21-L51 HydrophobicContact CE2-CD2 4.19Å; F21-L51 HydrophobicContact CZ-CD1 4.2Å; F21-L51 HydrophobicContact CZ-CD2 4.1Å; L51-R53 HydrophobicContact CD2-CB 4.34Å; L51-R53 HydrophobicContact CD2-CG 3.6Å; L51-P57 HydrophobicContact CD1-CB 3.78Å; L51-P57 HydrophobicContact CD2-CB 4.06Å; L51-P57 HydrophobicContact CG-CB 4.06Å; L51-R58 CarbonylContact C-O 3.29Å; L51-R58 WeakPolarHBondContact CA-O 3.35Å
52V93.9Very high92.8Very high70 Ų7069.5 Ų69.542%0.42437%0.37SS..EExtended strand (participates in β ladder)trans-84.6120.3165.9-169.30000107.6T54 R58 T60V52-T54 HydrophobicContact CG1-CG2 3.93Å; V52-T54 PolarHBondContact O-N 3.19Å; V52-R58 PolarHBondContact N-O 3.14Å; V52-R58 PolarHBondContact O-N 3.32Å; V52-R58 VanDerWaalsContact O-N 3.16Å; V52-T60 HydrophobicContact CG2-CG2 3.87Å
53R86.9Confident92.8Very high174 Ų17469.4 Ų69.466%0.65737%0.37SS*.  trans-79.355-176.8-62.8-176.8-178.8-158.4-0.7112.1L51L51-R53 HydrophobicContact CD2-CB 4.34Å; L51-R53 HydrophobicContact CD2-CG 3.6Å
54T89.3Confident92.7Very high63 Ų6369.3 Ų69.339%0.38737%0.369SS..  trans-83.7171.8167.248.30000110.7V52 P56 P57V52-T54 HydrophobicContact CG1-CG2 3.93Å; V52-T54 PolarHBondContact O-N 3.19Å; T54-P56 VanDerWaalsContact C-C 3.44Å; T54-P56 CarbonylContact C-O 3.48Å; T54-P56 VanDerWaalsContact C-O 3.28Å; T54-P56 WeakPolarHBondContact CB-O 3.38Å; T54-P56 CarbonylContact O-C 3.55Å; T54-P56 PolarHBondContact OG1-O 2.82Å; T54-P57 VanDerWaalsContact O-CA 3.31Å; T54-P57 WeakPolarHBondContact O-CA 3.39Å
55V89.4Confident92.5Very high151 Ų15169 Ų6992%0.91536%0.362SS*.SBendtrans-114.2107.4168.5-176.70000107.8
56P90.9Very high92.5Very high52 Ų5266.7 Ų66.734%0.33835%0.351SS..SBendcis-74.7158.1-1.133.6-36.9000113R19 T54R19-P56 HydrophobicContact CB-CB 3.75Å; R19-P56 HydrophobicContact CG-CB 4.22Å; T54-P56 VanDerWaalsContact C-C 3.44Å; T54-P56 CarbonylContact C-O 3.48Å; T54-P56 VanDerWaalsContact C-O 3.28Å; T54-P56 WeakPolarHBondContact CB-O 3.38Å; T54-P56 CarbonylContact O-C 3.55Å; T54-P56 PolarHBondContact OG1-O 2.82Å
57P93.9Very high92.5Very high14 Ų1463.7 Ų63.79%0.09134%0.338CS..  trans-60.2144.8175.2-24.234.8000112.3V15 I16 R19 F21 L51 T54V15-P57 HydrophobicContact CG1-CB 4.05Å; V15-P57 HydrophobicContact CG1-CG 4.09Å; I16-P57 HydrophobicContact CD1-CB 4.43Å; R19-P57 WeakPolarHBondContact O-CD 3.4Å; F21-P57 HydrophobicContact CD2-CG 4.37Å; F21-P57 HydrophobicContact CE2-CG 4.22Å; L51-P57 HydrophobicContact CD1-CB 3.78Å; L51-P57 HydrophobicContact CD2-CB 4.06Å; L51-P57 HydrophobicContact CG-CB 4.06Å; T54-P57 VanDerWaalsContact O-CA 3.31Å; T54-P57 WeakPolarHBondContact O-CA 3.39Å
58R94.2Very high92.3Very high166 Ų16660.8 Ų60.863%0.62631%0.307SS*.EExtended strand (participates in β ladder)trans-128.2146.4178.1-65.3-173.6-179.4-163.20.3110.6L51 V52L51-R58 CarbonylContact C-O 3.29Å; L51-R58 WeakPolarHBondContact CA-O 3.35Å; V52-R58 PolarHBondContact N-O 3.14Å; V52-R58 PolarHBondContact O-N 3.32Å; V52-R58 VanDerWaalsContact O-N 3.16Å
59P94.3Very high92Very high31 Ų3160.8 Ų60.820%0.20131%0.31CS..EExtended strand (participates in β ladder)trans-69149.6174.430-32.7000110.5I16 L50 Q64 L67I16-P59 HydrophobicContact CD1-CB 4.39Å; I16-P59 HydrophobicContact CG1-CB 4.42Å; L50-P59 WeakPolarHBondContact O-CA 3.03Å; P59-Q64 HydrophobicContact CB-CB 4.28Å; P59-Q64 HydrophobicContact CG-CB 4.31Å; P59-L67 HydrophobicContact CB-CD1 4.03Å; P59-L67 HydrophobicContact CG-CD1 4.37Å
60T95.2Very high91.7Very high31 Ų3156.8 Ų56.819%0.1928%0.284CS..  trans-73.3172.5161.4630000109.6P49 L50 V52 Q62 G63 Q64P49-T60 HydrophobicContact CB-CG2 4.41Å; P49-T60 WeakPolarHBondContact O-CG2 3.39Å; P49-T60 PolarHBondContact O-OG1 3.35Å; L50-T60 VanDerWaalsContact CA-OG1 3.29Å; L50-T60 WeakPolarHBondContact CA-OG1 3.27Å; L50-T60 PolarHBondContact O-N 2.83Å; L50-T60 PolarHBondContact O-OG1 3.28Å; V52-T60 HydrophobicContact CG2-CG2 3.87Å; T60-Q62 PolarHBondContact O-N 3.37Å; T60-G63 PolarHBondContact O-N 3.01Å; T60-G63 VanDerWaalsContact O-N 3.12Å; T60-G63 PolarHBondContact OG1-N 3.34Å; T60-G63 VanDerWaalsContact OG1-N 3.16Å; T60-Q64 WeakPolarHBondContact O-CB 3.09Å; T60-Q64 PolarHBondContact O-N 2.77Å
61E91.8Very high91.3Very high143 Ų14358 Ų5867%0.66829%0.288SS*.Hα-helixtrans-55.4-42.1174.1-168.1-164144.800111.5Q64 K65E61-Q64 PolarHBondContact O-N 3.06Å; E61-K65 WeakPolarHBondContact O-CG 3.35Å; E61-K65 PolarHBondContact O-N 3.14Å; E61-K65 VanDerWaalsContact O-N 3.08Å; E61-K65 VanDerWaalsContact OE1-CE 3.27Å; E61-K65 WeakPolarHBondContact OE1-CE 3.34Å; E61-K65 IonicContact OE1-NZ 3.64Å; E61-K65 PolarHBondContact OE1-NZ 3.13Å
62Q92.1Very high90.9Very high47 Ų4759.9 Ų59.922%0.2230%0.297CS..Hα-helixtrans-66.8-44175.6-174.566.617.900111.8Q48 L50 T60 Q64 K65 L66Q48-Q62 HydrophobicContact CG-CB 4.49Å; Q48-Q62 HydrophobicContact CG-CG 4.39Å; Q48-Q62 VanDerWaalsContact NE2-CG 3.28Å; L50-Q62 HydrophobicContact CD2-CB 3.84Å; L50-Q62 HydrophobicContact CD2-CG 3.49Å; L50-Q62 VanDerWaalsContact CD2-CG 3.49Å; T60-Q62 PolarHBondContact O-N 3.37Å; Q62-Q64 PolarHBondContact O-N 3.05Å; Q62-K65 PolarHBondContact O-N 2.62Å; Q62-L66 WeakPolarHBondContact O-CG 3.32Å; Q62-L66 PolarHBondContact O-N 3.11Å; Q62-L66 VanDerWaalsContact O-N 3.11Å
63G93.6Very high90.5Very high0 Ų058.9 Ų58.90%029%0.291CS..Hα-helixtrans-57.1-41.7175.200000111.7L50 T60 L66 L67L50-G63 WeakPolarHBondContact O-CA 3.32Å; T60-G63 PolarHBondContact O-N 3.01Å; T60-G63 VanDerWaalsContact O-N 3.12Å; T60-G63 PolarHBondContact OG1-N 3.34Å; T60-G63 VanDerWaalsContact OG1-N 3.16Å; G63-L66 PolarHBondContact O-N 3.36Å; G63-L67 VanDerWaalsContact O-CG 3.29Å; G63-L67 WeakPolarHBondContact O-CG 3.19Å; G63-L67 PolarHBondContact O-N 3.14Å
64Q92.8Very high90.4Very high22 Ų2252.7 Ų52.710%0.10327%0.269CS..Hα-helixtrans-63.7-42.8178.7-176.856.446.800111.9P59 T60 E61 Q62 L66 L67 A68 R137 E139P59-Q64 HydrophobicContact CB-CB 4.28Å; P59-Q64 HydrophobicContact CG-CB 4.31Å; T60-Q64 WeakPolarHBondContact O-CB 3.09Å; T60-Q64 PolarHBondContact O-N 2.77Å; E61-Q64 PolarHBondContact O-N 3.06Å; Q62-Q64 PolarHBondContact O-N 3.05Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 3.34Å; Q64-L67 PolarHBondContact O-N 2.9Å; Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 3.31Å; Q64-R137 HydrophobicContact CG-CB 4.33Å; Q64-R137 VanDerWaalsContact CG-O 3.3Å; Q64-R137 WeakPolarHBondContact CG-O 3.36Å; Q64-R137 PolarHBondContact NE2-O 2.96Å; Q64-E139 HydrophobicContact CG-CG 4.35Å
65K89.1Confident90.1Very high110 Ų11050.1 Ų50.148%0.47825%0.253SS..Hα-helixtrans-60.6-38.1173.7-70.6172.9-173.3167.90112.6E61 Q62 A68 L69E61-K65 WeakPolarHBondContact O-CG 3.35Å; E61-K65 PolarHBondContact O-N 3.14Å; E61-K65 VanDerWaalsContact O-N 3.08Å; E61-K65 VanDerWaalsContact OE1-CE 3.27Å; E61-K65 WeakPolarHBondContact OE1-CE 3.34Å; E61-K65 IonicContact OE1-NZ 3.64Å; E61-K65 PolarHBondContact OE1-NZ 3.13Å; Q62-K65 PolarHBondContact O-N 2.62Å; K65-A68 WeakPolarHBondContact O-CB 3.11Å; K65-L69 PolarHBondContact O-N 3.21Å; K65-L69 VanDerWaalsContact O-N 3.14Å
66L91.6Very high89.8Confident11 Ų1145.2 Ų45.26%0.05822%0.221CC..Hα-helixtrans-70.8-39.2177.3-67.6175.1000112.6L9 F46 L50 Q62 G63 Q64 A68 L69 L70L9-L66 HydrophobicContact CD2-CB 3.82Å; L9-L66 HydrophobicContact CD2-CD1 4.4Å; L9-L66 HydrophobicContact CD2-CG 4.48Å; F46-L66 HydrophobicContact CD2-CD1 3.79Å; F46-L66 HydrophobicContact CE1-CD1 4.23Å; F46-L66 HydrophobicContact CE1-CD2 3.88Å; F46-L66 HydrophobicContact CE2-CD1 3.44Å; F46-L66 VanDerWaalsContact CE2-CD1 3.44Å; F46-L66 HydrophobicContact CE2-CD2 3.92Å; F46-L66 HydrophobicContact CE2-CG 4.33Å; F46-L66 HydrophobicContact CG-CD1 4.34Å; F46-L66 HydrophobicContact CZ-CD1 3.71Å; F46-L66 HydrophobicContact CZ-CD2 3.35Å; F46-L66 HydrophobicContact CZ-CG 4.14Å; L50-L66 HydrophobicContact CD1-CD1 3.71Å; L50-L66 HydrophobicContact CD2-CD1 3.8Å; L50-L66 HydrophobicContact CG-CD1 4.39Å; Q62-L66 WeakPolarHBondContact O-CG 3.32Å; Q62-L66 PolarHBondContact O-N 3.11Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; G63-L66 PolarHBondContact O-N 3.36Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 3.34Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-L69 PolarHBondContact O-N 3.44Å; L66-L70 PolarHBondContact O-N 2.83Å
67L91.9Very high89.4Confident0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-66.2-37.2174.5-67.8175.3000111.9L12 D13 I16 P59 G63 Q64 L70 R71L12-L67 HydrophobicContact CB-CD2 4.41Å; L12-L67 HydrophobicContact CD2-CD2 4.12Å; L12-L67 HydrophobicContact CD2-CG 4.14Å; L12-L67 HydrophobicContact CG-CD2 3.99Å; L12-L67 HydrophobicContact CG-CG 4.34Å; D13-L67 VanDerWaalsContact CA-CD2 3.43Å; D13-L67 HydrophobicContact CB-CD2 3.49Å; D13-L67 VanDerWaalsContact CB-CD2 3.49Å; I16-L67 HydrophobicContact CB-CD1 4.37Å; I16-L67 HydrophobicContact CG1-CD1 3.92Å; I16-L67 HydrophobicContact CG2-CD1 4.48Å; P59-L67 HydrophobicContact CB-CD1 4.03Å; P59-L67 HydrophobicContact CG-CD1 4.37Å; G63-L67 VanDerWaalsContact O-CG 3.29Å; G63-L67 WeakPolarHBondContact O-CG 3.19Å; G63-L67 PolarHBondContact O-N 3.14Å; Q64-L67 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.09Å; L67-R71 VanDerWaalsContact O-CG 3.31Å; L67-R71 WeakPolarHBondContact O-CG 3.44Å; L67-R71 PolarHBondContact O-N 3.04Å
68A88.6Confident88.5Confident11 Ų1147.7 Ų47.79%0.09123%0.227CC..Hα-helixtrans-57.8-48.817200000111.6Q64 K65 L66 R71 Q72 G138Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 3.31Å; K65-A68 WeakPolarHBondContact O-CB 3.11Å; L66-A68 VanDerWaalsContact C-N 3.33Å; A68-R71 PolarHBondContact O-N 2.96Å; A68-Q72 WeakPolarHBondContact O-CG 3.44Å; A68-Q72 PolarHBondContact O-N 3.41Å; A68-Q72 VanDerWaalsContact O-N 3.13Å; A68-G138 WeakPolarHBondContact CA-O 3.3Å
69L87.6Confident87.3Confident87 Ų8743.9 Ų43.946%0.45522%0.217SC..Hα-helixtrans-61.7-44.2176.9-179.663.9000111.7K65 L66 R71 Q72 V73K65-L69 PolarHBondContact O-N 3.21Å; K65-L69 VanDerWaalsContact O-N 3.14Å; L66-L69 PolarHBondContact O-N 3.44Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-R71 PolarHBondContact O-N 3.47Å; L69-Q72 PolarHBondContact O-N 2.89Å; L69-V73 HydrophobicContact CD1-CG2 4.2Å; L69-V73 HydrophobicContact CG-CG2 4.36Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.48Å
70L89.7Confident85.9Confident2 Ų253 Ų531%0.0125%0.247CC..Hα-helixtrans-56.5-47.5177.517967.8000111.4Y6 L9 D13 L66 L67 Q72 V73 E74Y6-L70 HydrophobicContact CD2-CD1 3.68Å; Y6-L70 HydrophobicContact CE2-CD1 3.33Å; L9-L70 HydrophobicContact CB-CD1 4.03Å; L9-L70 HydrophobicContact CB-CD2 4.12Å; L9-L70 HydrophobicContact CB-CG 4.48Å; L9-L70 HydrophobicContact CD1-CD1 4.48Å; D13-L70 HydrophobicContact CB-CD2 3.61Å; L66-L70 PolarHBondContact O-N 2.83Å; L67-L70 PolarHBondContact O-N 3.09Å; L70-Q72 PolarHBondContact O-N 3.36Å; L70-V73 PolarHBondContact O-N 3.37Å; L70-E74 HydrophobicContact CD1-CG 4.36Å; L70-E74 HydrophobicContact CG-CG 4.42Å; L70-E74 WeakPolarHBondContact O-CB 3.17Å; L70-E74 WeakPolarHBondContact O-CG 3.36Å; L70-E74 PolarHBondContact O-N 3.44Å
71R86.7Confident84.5Confident24 Ų2456.3 Ų56.39%0.09126%0.263CS..Hα-helixtrans-62.8-40.3179.7-68.8166.9-168.5138.36.7112.5D13 L67 A68 L69 L75 G138 V141D13-R71 IonicContact OD1-NH2 3.39Å; L67-R71 VanDerWaalsContact O-CG 3.31Å; L67-R71 WeakPolarHBondContact O-CG 3.44Å; L67-R71 PolarHBondContact O-N 3.04Å; A68-R71 PolarHBondContact O-N 2.96Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-R71 PolarHBondContact O-N 3.47Å; R71-L75 WeakPolarHBondContact O-CG 3.36Å; R71-L75 PolarHBondContact O-N 3.35Å; R71-L75 VanDerWaalsContact O-N 3.09Å; R71-G138 PolarHBondContact NH1-O 3.16Å; R71-V141 HydrophobicContact CB-CG1 4.32Å
72Q84.9Confident82.9Confident49 Ų4951.2 Ų51.223%0.22925%0.248CC..Hα-helixtrans-65.6-42.1175.7-70176.427.600111.2A68 L69 L70 L75 L76 F272A68-Q72 WeakPolarHBondContact O-CG 3.44Å; A68-Q72 PolarHBondContact O-N 3.41Å; A68-Q72 VanDerWaalsContact O-N 3.13Å; L69-Q72 PolarHBondContact O-N 2.89Å; L70-Q72 PolarHBondContact O-N 3.36Å; Q72-L75 PolarHBondContact O-N 3.34Å; Q72-L76 VanDerWaalsContact O-CG 3.29Å; Q72-L76 WeakPolarHBondContact O-CG 3.31Å; Q72-L76 PolarHBondContact O-N 3.41Å; Q72-F272 HydrophobicContact CG-CD2 3.86Å; Q72-F272 HydrophobicContact CG-CE2 4.28Å; Q72-F272 HydrophobicContact CG-CG 4.23Å; Q72-F272 VanDerWaalsContact NE2-CD2 3.3Å; Q72-F272 VanDerWaalsContact NE2-CE1 3.31Å
73V85.8Confident81.2Confident49 Ų4955.7 Ų55.730%0.29727%0.274SS..Hα-helixtrans-63.9-46.4176.3171.20000110.7L69 L70 L75 L76 E77L69-V73 HydrophobicContact CD1-CG2 4.2Å; L69-V73 HydrophobicContact CG-CG2 4.36Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.48Å; L70-V73 PolarHBondContact O-N 3.37Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.84Å; V73-L76 CarbonylContact O-C 3.58Å; V73-L76 PolarHBondContact O-N 3.4Å; V73-E77 HydrophobicContact CG1-CG 3.9Å; V73-E77 WeakPolarHBondContact O-CB 3.33Å; V73-E77 WeakPolarHBondContact O-CG 3.49Å; V73-E77 PolarHBondContact O-N 3.36Å
74E84.6Confident79.3Confident44 Ų4464.7 Ų64.721%0.20632%0.316CS..Hα-helixtrans-57.4-40176.9-76.8173.3164.900112.3Y6 L70 E78Y6-E74 HydrophobicContact CE2-CG 4.39Å; Y6-E74 VanDerWaalsContact OH-CG 3.23Å; Y6-E74 WeakPolarHBondContact OH-CG 3.12Å; L70-E74 HydrophobicContact CD1-CG 4.36Å; L70-E74 HydrophobicContact CG-CG 4.42Å; L70-E74 WeakPolarHBondContact O-CB 3.17Å; L70-E74 WeakPolarHBondContact O-CG 3.36Å; L70-E74 PolarHBondContact O-N 3.44Å; E74-E78 PolarHBondContact O-N 3.41Å
75L83.6Confident77.2Confident8 Ų871.7 Ų71.74%0.04235%0.349CS..Hα-helixtrans-67.3-34.9174.9-78.1166.4000113.4R71 Q72 V73 L91 V141 S276 M279R71-L75 WeakPolarHBondContact O-CG 3.36Å; R71-L75 PolarHBondContact O-N 3.35Å; R71-L75 VanDerWaalsContact O-N 3.09Å; Q72-L75 PolarHBondContact O-N 3.34Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.84Å; L75-L91 HydrophobicContact CD2-CD1 4.02Å; L75-L91 HydrophobicContact CD2-CD2 3.42Å; L75-L91 VanDerWaalsContact CD2-CD2 3.42Å; L75-L91 HydrophobicContact CD2-CG 3.99Å; L75-L91 HydrophobicContact CG-CD1 4.48Å; L75-V141 HydrophobicContact CD1-CB 3.74Å; L75-V141 HydrophobicContact CD1-CG1 3.53Å; L75-V141 HydrophobicContact CD1-CG2 3.77Å; L75-S276 WeakPolarHBondContact O-CB 3.39Å; L75-S276 PolarHBondContact O-OG 2.85Å; L75-M279 HydrophobicContact CD1-CG 4.39Å
76L83.6Confident75.4Confident49 Ų4968.1 Ų68.126%0.25734%0.336SS..Hα-helixtrans-80.8-33.7178.6-68.7170.6000111.7Q72 V73 E78 E79 P274Q72-L76 VanDerWaalsContact O-CG 3.29Å; Q72-L76 WeakPolarHBondContact O-CG 3.31Å; Q72-L76 PolarHBondContact O-N 3.41Å; V73-L76 CarbonylContact O-C 3.58Å; V73-L76 PolarHBondContact O-N 3.4Å; L76-E78 VanDerWaalsContact C-N 3.26Å; L76-E78 PolarHBondContact O-N 3.36Å; L76-E79 WeakPolarHBondContact O-CB 3.31Å; L76-E79 VanDerWaalsContact O-CG 3.26Å; L76-E79 WeakPolarHBondContact O-CG 3.44Å; L76-E79 PolarHBondContact O-N 2.9Å; L76-P274 HydrophobicContact CD1-CG 4.49Å; L76-P274 HydrophobicContact CD2-CG 4.39Å
77E82.1Confident73.3Confident69 Ų6971.1 Ų71.132%0.32237%0.37SS..Hα-helixtrans-64.7-31.4177.3-78.2177.4152.400112.1Y6 V73 E79 W80 L81Y6-E77 PolarHBondContact OH-OE2 3.26Å; Y6-E77 VanDerWaalsContact OH-OE2 3.13Å; V73-E77 HydrophobicContact CG1-CG 3.9Å; V73-E77 WeakPolarHBondContact O-CB 3.33Å; V73-E77 WeakPolarHBondContact O-CG 3.49Å; V73-E77 PolarHBondContact O-N 3.36Å; E77-E79 PolarHBondContact O-N 3.05Å; E77-E79 VanDerWaalsContact O-N 3.17Å; E77-W80 PolarHBondContact O-N 2.88Å; E77-L81 PolarHBondContact O-N 3.32Å
78E74Confident71.6Confident49 Ų4976.6 Ų76.623%0.22941%0.409CS..Hα-helixtrans-55.2-30.4171.5-164.1-166.3-156.100111.9E74 L76 W80 L91 M278E74-E78 PolarHBondContact O-N 3.41Å; L76-E78 VanDerWaalsContact C-N 3.26Å; L76-E78 PolarHBondContact O-N 3.36Å; E78-W80 VanDerWaalsContact C-N 3.26Å; E78-W80 PolarHBondContact O-N 2.87Å; E78-L91 WeakPolarHBondContact OE2-CD2 3.44Å; E78-M278 WeakPolarHBondContact OE1-CE 3.49Å; E78-M278 WeakPolarHBondContact OE2-CB 3.41Å
79E68.8Low70.6Confident86 Ų8681.4 Ų81.440%0.40244%0.437SS..Hα-helixtrans-63.7-32.8176.1-55.6-171.714000112.8L76 E77 S276 R277L76-E79 WeakPolarHBondContact O-CB 3.31Å; L76-E79 VanDerWaalsContact O-CG 3.26Å; L76-E79 WeakPolarHBondContact O-CG 3.44Å; L76-E79 PolarHBondContact O-N 2.9Å; E77-E79 PolarHBondContact O-N 3.05Å; E77-E79 VanDerWaalsContact O-N 3.17Å; E79-S276 WeakPolarHBondContact OE1-CA 3.3Å; E79-R277 HydrophobicContact CG-CB 4.36Å; E79-R277 PolarHBondContact OE1-N 2.9Å
80W66.4Low70.1Confident223 Ų22379.6 Ų79.685%0.84543%0.43SS*.Hα-helixtrans-93.2-35.4-173.2-64.485.2000112.6E77 E78 G82E77-W80 PolarHBondContact O-N 2.88Å; E78-W80 VanDerWaalsContact C-N 3.26Å; E78-W80 PolarHBondContact O-N 2.87Å; W80-G82 PolarHBondContact O-N 3.48Å
81L65.6Low69.8Low100 Ų10080.6 Ų80.652%0.52444%0.435SS..Hα-helixtrans-73.4-19.2-176.8-68.8171.6000112.7E77 T86E77-L81 PolarHBondContact O-N 3.32Å; L81-T86 HydrophobicContact CB-CG2 4.13Å
82G58.3Low69.7Low35 Ų3581.9 Ų81.936%0.36144%0.444SS..  trans62.7174.6179.200000113.3W80 E84 T86W80-G82 PolarHBondContact O-N 3.48Å; G82-E84 PolarHBondContact O-N 3.11Å; G82-T86 PolarHBondContact O-OG1 3.41Å
83D56.4Low70.1Confident141 Ų14179.7 Ų79.775%0.75443%0.434SS*.THydrogen-bonded Turntrans-66.5-19.6176.3-97.6-21.9000112.7Q85D83-Q85 PolarHBondContact O-N 3.17Å
84E52.8Low70.4Confident190 Ų19077.5 Ų77.589%0.88842%0.42SS*.THydrogen-bonded Turntrans-80.4-8.7-166.1-64.9-151148.100115G82G82-E84 PolarHBondContact O-N 3.11Å
85Q49.5Very low70.9Confident168 Ų16875.4 Ų75.479%0.78541%0.411SS*.THydrogen-bonded Turntrans-129.1-5.1176.7-68.7-159.220.600115.8D83 G87D83-Q85 PolarHBondContact O-N 3.17Å; Q85-G87 VanDerWaalsContact C-N 3.32Å; Q85-G87 PolarHBondContact O-N 3.3Å
86T50.4Low71.5Confident35 Ų3575 Ų7522%0.21541%0.409CS..  trans-89.610-174.452.40000114.5L81 G82 S88 T89L81-T86 HydrophobicContact CB-CG2 4.13Å; G82-T86 PolarHBondContact O-OG1 3.41Å; T86-S88 PolarHBondContact O-N 2.9Å; T86-T89 PolarHBondContact O-N 3.5Å
87G48.7Very low72.1Confident75 Ų7572.7 Ų72.777%0.77340%0.396SS*.THydrogen-bonded Turntrans-63.227.6-177.200000117.6Q85Q85-G87 VanDerWaalsContact C-N 3.32Å; Q85-G87 PolarHBondContact O-N 3.3Å
88S55.7Low72.6Confident115 Ų11569.5 Ų69.580%0.80438%0.382SS*.THydrogen-bonded Turntrans-145.4-12.1172.9-87.80000116.9T86T86-S88 PolarHBondContact O-N 2.9Å
89T66.5Low73.5Confident111 Ų11167.8 Ų67.868%0.68138%0.376SS*.  trans-134.7110.2-179.749.40000112.2T86 L91T86-T89 PolarHBondContact O-N 3.5Å; T89-L91 PolarHBondContact O-N 3.45Å
90P78Confident74.7Confident49 Ų4964.6 Ų64.632%0.31836%0.362SS..  trans-58.5132.9175.3-26.434.5000112.2P118 R120P90-P118 CarbonylContact C-O 3.56Å; P90-P118 WeakPolarHBondContact CA-O 3.32Å; P90-P118 HydrophobicContact CB-CB 4.48Å; P90-P118 VanDerWaalsContact CB-O 3.27Å; P90-P118 WeakPolarHBondContact CB-O 3.37Å; P90-R120 HydrophobicContact CB-CB 4.43Å; P90-R120 HydrophobicContact CB-CG 3.78Å; P90-R120 HydrophobicContact CG-CG 4.39Å
91L82.9Confident76.1Confident23 Ų2354 Ų5412%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-64.2133.2174.6178.669.4000109.6L75 E78 T89 L93 P118 I119 R120 M278L75-L91 HydrophobicContact CD2-CD1 4.02Å; L75-L91 HydrophobicContact CD2-CD2 3.42Å; L75-L91 VanDerWaalsContact CD2-CD2 3.42Å; L75-L91 HydrophobicContact CD2-CG 3.99Å; L75-L91 HydrophobicContact CG-CD1 4.48Å; E78-L91 WeakPolarHBondContact OE2-CD2 3.44Å; T89-L91 PolarHBondContact O-N 3.45Å; L91-L93 PolarHBondContact O-N 3.26Å; L91-P118 PolarHBondContact N-O 2.69Å; L91-I119 CarbonylContact O-C 3.45Å; L91-I119 WeakPolarHBondContact O-CA 3.35Å; L91-R120 PolarHBondContact O-N 3.04Å; L91-M278 HydrophobicContact CD2-CB 4.11Å; L91-M278 HydrophobicContact CD2-CE 4.33Å; L91-M278 HydrophobicContact CD2-CG 3.79Å
92L86Confident77.5Confident52 Ų5251.1 Ų51.127%0.27231%0.307SS..EExtended strand (participates in β ladder)trans-87.3113.7176.5-175.982.9000111.3R17 R120 N122R17-L92 VanDerWaalsContact NH2-CD2 3.35Å; L92-R120 CarbonylContact C-O 3.53Å; L92-R120 WeakPolarHBondContact CA-O 3.38Å; L92-R120 HydrophobicContact CD1-CB 3.74Å; L92-R120 WeakPolarHBondContact CD1-O 3.24Å; L92-N122 HydrophobicContact CD1-CB 4.04Å
93L91.5Very high79.3Confident2 Ų250.9 Ų50.91%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-98.1106.6171.8-174.664.2000109.9L91 L95 I119 R120 L121 N122 V141 M279 V282L91-L93 PolarHBondContact O-N 3.26Å; L93-L95 HydrophobicContact CD1-CD2 3.79Å; L93-L95 HydrophobicContact CD1-CG 4.49Å; L93-L95 HydrophobicContact CD2-CD1 4.18Å; L93-L95 HydrophobicContact CD2-CD2 4.44Å; L93-L95 HydrophobicContact CD2-CG 4.4Å; L93-L95 HydrophobicContact CG-CD1 4.34Å; L93-L95 HydrophobicContact CG-CD2 3.86Å; L93-L95 HydrophobicContact CG-CG 4.01Å; L93-I119 HydrophobicContact CB-CG2 3.6Å; L93-I119 HydrophobicContact CD2-CG2 4.38Å; L93-R120 PolarHBondContact N-O 2.98Å; L93-L121 HydrophobicContact CB-CD1 4.23Å; L93-L121 HydrophobicContact CD2-CD1 3.92Å; L93-L121 HydrophobicContact CG-CD1 4.16Å; L93-N122 PolarHBondContact O-N 3.05Å; L93-V141 HydrophobicContact CD1-CG2 3.75Å; L93-M279 HydrophobicContact CD1-SD 3.44Å; L93-M279 WeakPolarHBondContact CD1-SD 3.48Å; L93-V282 HydrophobicContact CD2-CG2 3.59Å
94S93.6Very high81.2Confident3 Ų345.3 Ų45.32%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-101.8117177.1-63.60000110.9N122 V140 V141S94-N122 CarbonylContact C-O 3.56Å; S94-N122 VanDerWaalsContact CA-O 3.26Å; S94-N122 WeakPolarHBondContact CA-O 3.45Å; S94-N122 PolarHBondContact OG-ND2 3.1Å; S94-V140 CarbonylContact O-C 3.28Å; S94-V140 VanDerWaalsContact O-CA 3.28Å; S94-V140 WeakPolarHBondContact O-CA 3.48Å; S94-V140 VanDerWaalsContact O-CB 3.25Å; S94-V140 WeakPolarHBondContact O-CB 3.29Å; S94-V141 WeakPolarHBondContact O-CG2 3.46Å; S94-V141 PolarHBondContact O-N 3Å
95L95.6Very high83.3Confident0 Ų036.3 Ų36.30%023%0.23CC..EExtended strand (participates in β ladder)trans-122.2144.8-177.3-51.6-176.8000110.9L93 V97 L110 L121 N122 L123 Q124 V141 G142 W269L93-L95 HydrophobicContact CD1-CD2 3.79Å; L93-L95 HydrophobicContact CD1-CG 4.49Å; L93-L95 HydrophobicContact CD2-CD1 4.18Å; L93-L95 HydrophobicContact CD2-CD2 4.44Å; L93-L95 HydrophobicContact CD2-CG 4.4Å; L93-L95 HydrophobicContact CG-CD1 4.34Å; L93-L95 HydrophobicContact CG-CD2 3.86Å; L93-L95 HydrophobicContact CG-CG 4.01Å; L95-V97 HydrophobicContact CB-CG1 4.49Å; L95-L110 HydrophobicContact CD1-CD1 4.38Å; L95-L121 HydrophobicContact CD1-CD1 4.26Å; L95-L121 HydrophobicContact CG-CD1 4.48Å; L95-N122 PolarHBondContact N-O 2.77Å; L95-L123 HydrophobicContact CB-CD2 3.85Å; L95-L123 HydrophobicContact CD1-CD2 4.2Å; L95-L123 HydrophobicContact CG-CD2 4.3Å; L95-L123 WeakPolarHBondContact O-CA 3.35Å; L95-Q124 PolarHBondContact O-N 2.82Å; L95-V141 HydrophobicContact CD2-CG2 4.15Å; L95-G142 CarbonylContact C-O 3.41Å; L95-G142 VanDerWaalsContact CA-O 3.3Å; L95-G142 WeakPolarHBondContact CA-O 3.41Å; L95-W269 HydrophobicContact CD1-CH2 4.08Å; L95-W269 HydrophobicContact CD2-CH2 3.74Å; L95-W269 HydrophobicContact CG-CH2 4.41Å
96A95.6Very high85.6Confident0 Ų028.3 Ų28.30%019%0.193CC..EExtended strand (participates in β ladder)trans-101.6130.1169.700000110.4Q124 T131 R134 V140 G142 A143 V144A96-Q124 WeakPolarHBondContact CA-O 3.46Å; A96-T131 HydrophobicContact CB-CG2 4.15Å; A96-R134 HydrophobicContact CB-CB 4.01Å; A96-R134 HydrophobicContact CB-CG 4.28Å; A96-V140 HydrophobicContact CB-CB 4.37Å; A96-V140 HydrophobicContact CB-CG1 4.01Å; A96-V140 HydrophobicContact CB-CG2 3.84Å; A96-G142 PolarHBondContact N-O 3.09Å; A96-A143 HydrophobicContact CB-CB 4.08Å; A96-A143 CarbonylContact O-C 3.58Å; A96-A143 WeakPolarHBondContact O-CA 3.46Å; A96-V144 PolarHBondContact O-N 2.81Å
97V95.5Very high87.8Confident0 Ų030.5 Ų30.50%020%0.203CC..EExtended strand (participates in β ladder)trans-141.9155.4-175-60.50000110.4L95 L102 L106 L123 Q124 V125 E126 V144L95-V97 HydrophobicContact CB-CG1 4.49Å; V97-L102 HydrophobicContact CG2-CB 4.28Å; V97-L106 HydrophobicContact CB-CD2 4.04Å; V97-L106 HydrophobicContact CG1-CD1 4.28Å; V97-L106 HydrophobicContact CG1-CD2 3.65Å; V97-L106 HydrophobicContact CG2-CD2 3.92Å; V97-L123 HydrophobicContact CG2-CB 4.49Å; V97-Q124 PolarHBondContact N-O 3.08Å; V97-V125 VanDerWaalsContact O-CA 3.32Å; V97-V125 WeakPolarHBondContact O-CA 3.22Å; V97-E126 PolarHBondContact O-N 2.92Å; V97-V144 HydrophobicContact CG1-CB 4.28Å; V97-V144 HydrophobicContact CG1-CG2 4.01Å
98N92.5Very high90.1Very high2 Ų229.4 Ų29.41%0.01118%0.182CC..  trans-78.7160.2168.570.5-0.7000110.7D100 S101 L102 E126 E128N98-D100 VanDerWaalsContact C-N 3.29Å; N98-D100 PolarHBondContact O-N 3.49Å; N98-S101 WeakPolarHBondContact OD1-CA 3.16Å; N98-S101 WeakPolarHBondContact OD1-CB 3.43Å; N98-S101 PolarHBondContact OD1-N 2.83Å; N98-S101 PolarHBondContact OD1-OG 3.42Å; N98-L102 PolarHBondContact O-N 3.07Å; N98-E126 WeakPolarHBondContact CA-O 3.2Å; N98-E128 HydrophobicContact CB-CG 4.31Å; N98-E128 WeakPolarHBondContact CB-OE1 3.48Å; N98-E128 PolarHBondContact ND2-OE1 2.96Å
99A93.3Very high92.1Very high14 Ų1424 Ų2412%0.11615%0.145CC..Hα-helixtrans-62.9-37.9-177.700000111.8L102 A103 V125 F194A99-L102 WeakPolarHBondContact O-CB 3.31Å; A99-L102 PolarHBondContact O-N 3.41Å; A99-A103 WeakPolarHBondContact O-CB 3.29Å; A99-A103 PolarHBondContact O-N 2.84Å; A99-V125 HydrophobicContact CB-CG1 3.88Å; A99-F194 HydrophobicContact CB-CD2 4.43Å; A99-F194 HydrophobicContact CB-CE2 3.49Å; A99-F194 VanDerWaalsContact CB-CE2 3.49Å; A99-F194 HydrophobicContact CB-CZ 3.71Å
100D94.1Very high93.5Very high18 Ų1818.9 Ų18.910%0.09611%0.113CC..Hα-helixtrans-67.9-39.7-176.9-64.5-34.1000113.1N98 L102 A103 T104 L162 Y164 S224 P241N98-D100 VanDerWaalsContact C-N 3.29Å; N98-D100 PolarHBondContact O-N 3.49Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-A103 PolarHBondContact O-N 3.39Å; D100-T104 WeakPolarHBondContact O-CB 3.24Å; D100-T104 WeakPolarHBondContact O-CG2 3.47Å; D100-T104 PolarHBondContact O-N 2.67Å; D100-T104 PolarHBondContact O-OG1 3.09Å; D100-L162 HydrophobicContact CB-CD1 3.95Å; D100-Y164 WeakPolarHBondContact OD2-CE1 3.47Å; D100-Y164 VanDerWaalsContact OD2-CZ 3.27Å; D100-Y164 PolarHBondContact OD2-OH 3.45Å; D100-S224 VanDerWaalsContact OD1-CB 3.26Å; D100-S224 WeakPolarHBondContact OD1-CB 3.36Å; D100-S224 PolarHBondContact OD1-OG 3.07Å; D100-P241 HydrophobicContact CB-CG 3.71Å
101S95.7Very high94.4Very high0 Ų019 Ų190%012%0.118CC..Hα-helixtrans-66-40.5174.9-60.50000111.1N98 A103 T104 W105 L106N98-S101 WeakPolarHBondContact OD1-CA 3.16Å; N98-S101 WeakPolarHBondContact OD1-CB 3.43Å; N98-S101 PolarHBondContact OD1-N 2.83Å; N98-S101 PolarHBondContact OD1-OG 3.42Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.88Å; S101-T104 PolarHBondContact O-N 3.11Å; S101-W105 VanDerWaalsContact CB-NE1 3.27Å; S101-W105 PolarHBondContact O-N 2.97Å; S101-W105 PolarHBondContact OG-NE1 3.33Å; S101-W105 VanDerWaalsContact OG-NE1 3.08Å; S101-L106 WeakPolarHBondContact O-CB 3.23Å; S101-L106 PolarHBondContact O-N 3.3Å
102L95.7Very high94.9Very high41 Ų4121.3 Ų21.322%0.21513%0.134CC..Hα-helixtrans-61.3-42.4176.2178.558000111.8V97 N98 A99 D100 T104 L106 L107 L123 V125V97-L102 HydrophobicContact CG2-CB 4.28Å; N98-L102 PolarHBondContact O-N 3.07Å; A99-L102 WeakPolarHBondContact O-CB 3.31Å; A99-L102 PolarHBondContact O-N 3.41Å; D100-L102 VanDerWaalsContact C-N 3.34Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 2.88Å; L102-L106 HydrophobicContact CD1-CD2 4.17Å; L102-L107 HydrophobicContact CD1-CD1 4.01Å; L102-L107 HydrophobicContact CD1-CD2 3.85Å; L102-L107 HydrophobicContact CD1-CG 3.85Å; L102-L123 HydrophobicContact CD1-CD1 3.52Å; L102-V125 HydrophobicContact CD2-CG2 3.44Å; L102-V125 VanDerWaalsContact CD2-CG2 3.44Å
103A95.2Very high95.3Very high29 Ų2919.2 Ų19.224%0.2412%0.123CC..Hα-helixtrans-74-12.8-178.100000114.3A99 D100 S101 E225A99-A103 WeakPolarHBondContact O-CB 3.29Å; A99-A103 PolarHBondContact O-N 2.84Å; D100-A103 PolarHBondContact O-N 3.39Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.88Å; A103-E225 HydrophobicContact CB-CG 4.13Å; A103-E225 WeakPolarHBondContact CB-OE1 3.18Å
104T96.1Very high95.3Very high25 Ų2522.3 Ų22.315%0.15314%0.14CC..THydrogen-bonded Turntrans-123.8-81.4-171.856.40000113.3D100 S101 L102 L243 Q244D100-T104 WeakPolarHBondContact O-CB 3.24Å; D100-T104 WeakPolarHBondContact O-CG2 3.47Å; D100-T104 PolarHBondContact O-N 2.67Å; D100-T104 PolarHBondContact O-OG1 3.09Å; S101-T104 PolarHBondContact O-N 3.11Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 2.88Å; T104-L243 HydrophobicContact CG2-CB 4.47Å; T104-L243 HydrophobicContact CG2-CD2 4.46Å; T104-L243 HydrophobicContact CG2-CG 4.35Å; T104-Q244 HydrophobicContact CG2-CB 3.64Å; T104-Q244 HydrophobicContact CG2-CG 3.97Å
105W97Very high95.2Very high1 Ų126 Ų260%0.00417%0.171CC..THydrogen-bonded Turntrans-104.5-22.6-163.166.8-90.4000114.3S101 P108 A109 V144 L159 L243 L267 L286 Y289 V293 L294S101-W105 VanDerWaalsContact CB-NE1 3.27Å; S101-W105 PolarHBondContact O-N 2.97Å; S101-W105 PolarHBondContact OG-NE1 3.33Å; S101-W105 VanDerWaalsContact OG-NE1 3.08Å; W105-P108 WeakPolarHBondContact O-CD 3.3Å; W105-A109 HydrophobicContact CE3-CB 3.97Å; W105-A109 HydrophobicContact CZ3-CB 4.15Å; W105-A109 VanDerWaalsContact O-CB 3.29Å; W105-A109 WeakPolarHBondContact O-CB 3.4Å; W105-A109 PolarHBondContact O-N 3.49Å; W105-V144 HydrophobicContact CH2-CG2 4.33Å; W105-V144 HydrophobicContact CZ2-CG1 4.29Å; W105-V144 HydrophobicContact CZ2-CG2 4.35Å; W105-L159 HydrophobicContact CH2-CD1 3.65Å; W105-L159 HydrophobicContact CH2-CD2 3.97Å; W105-L159 HydrophobicContact CH2-CG 4.33Å; W105-L159 HydrophobicContact CZ2-CD1 3.93Å; W105-L159 HydrophobicContact CZ3-CD2 4.38Å; W105-L243 HydrophobicContact CB-CD2 4.16Å; W105-L267 HydrophobicContact CZ2-CD1 4.27Å; W105-L286 HydrophobicContact CH2-CD2 4.18Å; W105-L286 HydrophobicContact CZ3-CB 4.36Å; W105-L286 HydrophobicContact CZ3-CD2 3.73Å; W105-Y289 HydrophobicContact CB-CD1 4.21Å; W105-Y289 HydrophobicContact CB-CE1 3.96Å; W105-Y289 WeakPolarHBondContact O-CE1 3.35Å; W105-V293 HydrophobicContact CB-CG2 3.62Å; W105-V293 HydrophobicContact CG-CG2 4.38Å; W105-L294 HydrophobicContact CD2-CD1 4.24Å; W105-L294 HydrophobicContact CG-CD2 4.16Å; W105-L294 HydrophobicContact CZ2-CD1 4.26Å
106L97.4Very high94.7Very high0 Ų032 Ų320%020%0.203CC..Hα-helixtrans-65.8-49.1-169.7-179.577.6000112.9V97 S101 L102 A109 L110 L123 V144 L286V97-L106 HydrophobicContact CB-CD2 4.04Å; V97-L106 HydrophobicContact CG1-CD1 4.28Å; V97-L106 HydrophobicContact CG1-CD2 3.65Å; V97-L106 HydrophobicContact CG2-CD2 3.92Å; S101-L106 WeakPolarHBondContact O-CB 3.23Å; S101-L106 PolarHBondContact O-N 3.3Å; L102-L106 HydrophobicContact CD1-CD2 4.17Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 3.05Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CG-CD1 4.03Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 2.93Å; L106-L123 HydrophobicContact CD2-CD1 4.06Å; L106-L123 HydrophobicContact CD2-CD2 4.46Å; L106-V144 HydrophobicContact CD1-CG2 4.43Å; L106-L286 HydrophobicContact CD1-CD2 3.65Å
107L96.9Very high94.1Very high81 Ų8132.9 Ų32.942%0.42421%0.209SC..Hα-helixtrans-65.8-44.4-177.9-60.8177.6000111.9L102 A109 L110 A111 L123L102-L107 HydrophobicContact CD1-CD1 4.01Å; L102-L107 HydrophobicContact CD1-CD2 3.85Å; L102-L107 HydrophobicContact CD1-CG 3.85Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.25Å; L107-L110 PolarHBondContact O-N 2.93Å; L107-A111 PolarHBondContact O-N 3.39Å; L107-L123 HydrophobicContact CD2-CD1 3.94Å
108P97.2Very high93.5Very high52 Ų5236.3 Ų36.334%0.33823%0.231SC..Hα-helixtrans-56-40.7169.1-28.436.3000113.8W105 L110 A111 Y289W105-P108 WeakPolarHBondContact O-CD 3.3Å; P108-L110 PolarHBondContact O-N 3.01Å; P108-A111 WeakPolarHBondContact O-CB 3.34Å; P108-A111 PolarHBondContact O-N 3.32Å; P108-Y289 HydrophobicContact CB-CE1 3.79Å; P108-Y289 HydrophobicContact CB-CE2 3.78Å; P108-Y289 VanDerWaalsContact CB-OH 3.29Å; P108-Y289 WeakPolarHBondContact CB-OH 3.25Å
109A97.8Very high93.3Very high2 Ų237.4 Ų37.42%0.01724%0.237CC..Hα-helixtrans-63.7-39.5177.300000112.5W105 L106 L107 A111 P112 A285 L286 Y289W105-A109 HydrophobicContact CE3-CB 3.97Å; W105-A109 HydrophobicContact CZ3-CB 4.15Å; W105-A109 VanDerWaalsContact O-CB 3.29Å; W105-A109 WeakPolarHBondContact O-CB 3.4Å; W105-A109 PolarHBondContact O-N 3.49Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 3.05Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.25Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A109-P112 WeakPolarHBondContact O-CD 3.44Å; A109-A285 WeakPolarHBondContact O-CB 3.31Å; A109-L286 HydrophobicContact CB-CD2 3.87Å; A109-Y289 VanDerWaalsContact CB-CB 3.49Å; A109-Y289 HydrophobicContact CB-CD1 3.79Å; A109-Y289 HydrophobicContact CB-CG 3.73Å
110L96.9Very high93.1Very high2 Ų243.8 Ų43.81%0.0126%0.258CS..Hα-helixtrans-79-14.4179.2-68.2175.8000113.8L95 L106 L107 P108 P112 V113 L114 L121 V282 L286L95-L110 HydrophobicContact CD1-CD1 4.38Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CG-CD1 4.03Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 2.93Å; L107-L110 PolarHBondContact O-N 2.93Å; P108-L110 PolarHBondContact O-N 3.01Å; L110-P112 VanDerWaalsContact C-CD 3.49Å; L110-V113 PolarHBondContact O-N 3Å; L110-V113 VanDerWaalsContact O-N 3.08Å; L110-L114 HydrophobicContact CB-CD1 4.03Å; L110-L114 HydrophobicContact CB-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 3.35Å; L110-L121 HydrophobicContact CD1-CD1 4.39Å; L110-L121 HydrophobicContact CD1-CD2 4.04Å; L110-V282 HydrophobicContact CD2-CG1 3.88Å; L110-L286 HydrophobicContact CD2-CD2 3.91Å; L110-L286 HydrophobicContact CD2-CG 4.34Å; L110-L286 HydrophobicContact CG-CD2 4.14Å
111A96.3Very high93.1Very high51 Ų5145.6 Ų45.642%0.42127%0.267SS..Hα-helixtrans-53.8-43.9-173.300000114.5L107 P108 A109 V113 L114 A115L107-A111 PolarHBondContact O-N 3.39Å; P108-A111 WeakPolarHBondContact O-CB 3.34Å; P108-A111 PolarHBondContact O-N 3.32Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A111-V113 PolarHBondContact O-N 3.43Å; A111-L114 PolarHBondContact O-N 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.37Å; A111-A115 PolarHBondContact O-N 2.9Å
112P94.1Very high92.9Very high73 Ų7348.4 Ų48.447%0.47428%0.282SS..Hα-helixtrans-62.3-41.4177-21.634.2000112.5A109 L110 A115 D116A109-P112 WeakPolarHBondContact O-CD 3.44Å; L110-P112 VanDerWaalsContact C-CD 3.49Å; P112-A115 PolarHBondContact O-N 3.32Å; P112-D116 WeakPolarHBondContact O-CB 3.31Å; P112-D116 PolarHBondContact O-N 3.42Å; P112-D116 VanDerWaalsContact O-N 3.15Å
113V92.8Very high92.9Very high7 Ų748.6 Ų48.64%0.04228%0.283CS..Hα-helixtrans-68.8-39.8-178.1-173.50000111.3L110 A111 A115 S117 I119 M278 K281 V282 A285L110-V113 PolarHBondContact O-N 3Å; L110-V113 VanDerWaalsContact O-N 3.08Å; A111-V113 PolarHBondContact O-N 3.43Å; V113-A115 VanDerWaalsContact C-N 3.33Å; V113-S117 PolarHBondContact O-N 3.16Å; V113-I119 HydrophobicContact CG1-CD1 3.74Å; V113-M278 HydrophobicContact CG1-SD 4.03Å; V113-K281 HydrophobicContact CG1-CB 4.3Å; V113-K281 HydrophobicContact CG2-CB 4.34Å; V113-K281 WeakPolarHBondContact CG2-O 3.38Å; V113-V282 HydrophobicContact CG1-CG2 3.95Å; V113-A285 HydrophobicContact CG2-CB 3.57Å
114L92.4Very high92.8Very high67 Ų6748.9 Ų48.935%0.35128%0.28SS..Hα-helixtrans-71.8-27.3178.3-64.4174.2000112.8L110 A111 I119 L121L110-L114 HydrophobicContact CB-CD1 4.03Å; L110-L114 HydrophobicContact CB-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 3.35Å; A111-L114 PolarHBondContact O-N 3.27Å; L114-I119 HydrophobicContact CD2-CB 4.22Å; L114-I119 HydrophobicContact CD2-CG2 4.23Å; L114-L121 HydrophobicContact CD1-CD2 4.2Å; L114-L121 HydrophobicContact CD2-CB 4.3Å; L114-L121 HydrophobicContact CD2-CD2 4.44Å
115A91.1Very high92.6Very high82 Ų8250.8 Ų50.868%0.67829%0.291SS*.Hα-helixtrans-74.8-37.1175.700000112.2A111 P112 V113A111-A115 WeakPolarHBondContact O-CB 3.37Å; A111-A115 PolarHBondContact O-N 2.9Å; P112-A115 PolarHBondContact O-N 3.32Å; V113-A115 VanDerWaalsContact C-N 3.33Å
116D86Confident91.9Very high126 Ų12651.9 Ų51.967%0.67430%0.296SS*.SBendtrans-92.9-2.5-170.6-69.1-15.8000114.2P112P112-D116 WeakPolarHBondContact O-CB 3.31Å; P112-D116 PolarHBondContact O-N 3.42Å; P112-D116 VanDerWaalsContact O-N 3.15Å
117S82.6Confident90.8Very high17 Ų1752.8 Ų52.812%0.11930%0.301CS..SBendtrans-150.3140-173-64.40000112.7V113 I119 K281V113-S117 PolarHBondContact O-N 3.16Å; S117-I119 VanDerWaalsContact C-N 3.31Å; S117-I119 PolarHBondContact O-N 3.02Å; S117-K281 PolarHBondContact OG-NZ 3.11Å
118P83.2Confident89.4Confident72 Ų7250.6 Ų50.647%0.46829%0.288SS..  trans-73.484.2179.231.3-34.9000110.2P90 L91P90-P118 CarbonylContact C-O 3.56Å; P90-P118 WeakPolarHBondContact CA-O 3.32Å; P90-P118 HydrophobicContact CB-CB 4.48Å; P90-P118 VanDerWaalsContact CB-O 3.27Å; P90-P118 WeakPolarHBondContact CB-O 3.37Å; L91-P118 PolarHBondContact N-O 2.69Å
119I87.5Confident87.9Confident26 Ų2652 Ų5213%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-110.7134.9-177.5-60.3167.8000110.1L91 L93 V113 L114 S117 M278L91-I119 CarbonylContact O-C 3.45Å; L91-I119 WeakPolarHBondContact O-CA 3.35Å; L93-I119 HydrophobicContact CB-CG2 3.6Å; L93-I119 HydrophobicContact CD2-CG2 4.38Å; V113-I119 HydrophobicContact CG1-CD1 3.74Å; L114-I119 HydrophobicContact CD2-CB 4.22Å; L114-I119 HydrophobicContact CD2-CG2 4.23Å; S117-I119 VanDerWaalsContact C-N 3.31Å; S117-I119 PolarHBondContact O-N 3.02Å; I119-M278 HydrophobicContact CD1-CE 3.82Å; I119-M278 HydrophobicContact CD1-CG 4.42Å; I119-M278 HydrophobicContact CD1-SD 3.42Å; I119-M278 WeakPolarHBondContact CD1-SD 3.44Å; I119-M278 HydrophobicContact CG1-CE 3.94Å; I119-M278 HydrophobicContact CG1-SD 4.16Å
120R89.7Confident87Confident148 Ų14857.4 Ų57.456%0.55832%0.316SS*.EExtended strand (participates in β ladder)trans-92.3113.2158.9-81.5167.2-172.9-113.30.5108.1P90 L91 L92 L93P90-R120 HydrophobicContact CB-CB 4.43Å; P90-R120 HydrophobicContact CB-CG 3.78Å; P90-R120 HydrophobicContact CG-CG 4.39Å; L91-R120 PolarHBondContact O-N 3.04Å; L92-R120 CarbonylContact C-O 3.53Å; L92-R120 WeakPolarHBondContact CA-O 3.38Å; L92-R120 HydrophobicContact CD1-CB 3.74Å; L92-R120 WeakPolarHBondContact CD1-O 3.24Å; L93-R120 PolarHBondContact N-O 2.98Å
121L92.8Very high86.3Confident56 Ų5657.3 Ų57.329%0.29332%0.315SS..EExtended strand (participates in β ladder)trans-87.6131.5177.1-168.967.5000110.4L93 L95 L110 L114 L123L93-L121 HydrophobicContact CB-CD1 4.23Å; L93-L121 HydrophobicContact CD2-CD1 3.92Å; L93-L121 HydrophobicContact CG-CD1 4.16Å; L95-L121 HydrophobicContact CD1-CD1 4.26Å; L95-L121 HydrophobicContact CG-CD1 4.48Å; L110-L121 HydrophobicContact CD1-CD1 4.39Å; L110-L121 HydrophobicContact CD1-CD2 4.04Å; L114-L121 HydrophobicContact CD1-CD2 4.2Å; L114-L121 HydrophobicContact CD2-CB 4.3Å; L114-L121 HydrophobicContact CD2-CD2 4.44Å; L121-L123 HydrophobicContact CD1-CD2 3.83Å; L121-L123 HydrophobicContact CD1-CG 4.45Å; L121-L123 HydrophobicContact CD2-CD1 3.85Å; L121-L123 HydrophobicContact CD2-CD2 3.89Å; L121-L123 HydrophobicContact CD2-CG 3.79Å; L121-L123 HydrophobicContact CG-CD1 4.44Å; L121-L123 HydrophobicContact CG-CD2 3.78Å; L121-L123 HydrophobicContact CG-CG 3.83Å
122N93.3Very high85.8Confident58 Ų5855.3 Ų55.331%0.3130%0.297SS..EExtended strand (participates in β ladder)trans-125.297.8173.2173.838.1000109.2L92 L93 S94 L95L92-N122 HydrophobicContact CD1-CB 4.04Å; L93-N122 PolarHBondContact O-N 3.05Å; S94-N122 CarbonylContact C-O 3.56Å; S94-N122 VanDerWaalsContact CA-O 3.26Å; S94-N122 WeakPolarHBondContact CA-O 3.45Å; S94-N122 PolarHBondContact OG-ND2 3.1Å; L95-N122 PolarHBondContact N-O 2.77Å
123L94.9Very high85.5Confident45 Ų4554.2 Ų54.224%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-91.7122.5178.7-58.9-177.6000110L95 V97 L102 L106 L107 L121L95-L123 HydrophobicContact CB-CD2 3.85Å; L95-L123 HydrophobicContact CD1-CD2 4.2Å; L95-L123 HydrophobicContact CG-CD2 4.3Å; L95-L123 WeakPolarHBondContact O-CA 3.35Å; V97-L123 HydrophobicContact CG2-CB 4.49Å; L102-L123 HydrophobicContact CD1-CD1 3.52Å; L106-L123 HydrophobicContact CD2-CD1 4.06Å; L106-L123 HydrophobicContact CD2-CD2 4.46Å; L107-L123 HydrophobicContact CD2-CD1 3.94Å; L121-L123 HydrophobicContact CD1-CD2 3.83Å; L121-L123 HydrophobicContact CD1-CG 4.45Å; L121-L123 HydrophobicContact CD2-CD1 3.85Å; L121-L123 HydrophobicContact CD2-CD2 3.89Å; L121-L123 HydrophobicContact CD2-CG 3.79Å; L121-L123 HydrophobicContact CG-CD1 4.44Å; L121-L123 HydrophobicContact CG-CD2 3.78Å; L121-L123 HydrophobicContact CG-CG 3.83Å
124Q92.8Very high85.3Confident36 Ų3657 Ų5717%0.16830%0.296CS..EExtended strand (participates in β ladder)trans-100.8107.3172.8-64-17644.600108.1L95 A96 V97 E126 E139 V140L95-Q124 PolarHBondContact O-N 2.82Å; A96-Q124 WeakPolarHBondContact CA-O 3.46Å; V97-Q124 PolarHBondContact N-O 3.08Å; Q124-E126 PolarHBondContact O-N 3.21Å; Q124-E139 PolarHBondContact NE2-O 2.98Å; Q124-V140 HydrophobicContact CB-CG1 4.49Å; Q124-V140 HydrophobicContact CG-CG1 4.32Å
125V91.8Very high85.3Confident64 Ų6453.8 Ų53.839%0.38828%0.279SS..EExtended strand (participates in β ladder)trans-77.9118.6175.7-176.20000108.6V97 A99 L102V97-V125 VanDerWaalsContact O-CA 3.32Å; V97-V125 WeakPolarHBondContact O-CA 3.22Å; A99-V125 HydrophobicContact CB-CG1 3.88Å; L102-V125 HydrophobicContact CD2-CG2 3.44Å; L102-V125 VanDerWaalsContact CD2-CG2 3.44Å
126E82.9Confident85.2Confident24 Ų2457.7 Ų57.711%0.11228%0.276CS..  trans-134.7155.6176.8-65.7-74.8150.900109.2V97 N98 Q124 R130 T131 R134V97-E126 PolarHBondContact O-N 2.92Å; N98-E126 WeakPolarHBondContact CA-O 3.2Å; Q124-E126 PolarHBondContact O-N 3.21Å; E126-R130 HydrophobicContact CB-CB 4.1Å; E126-R130 IonicContact OE2-CZ 3.9Å; E126-R130 IonicContact OE2-NE 2.73Å; E126-R130 PolarHBondContact OE2-NE 3.08Å; E126-R130 IonicContact OE2-NH1 3.42Å; E126-R130 IonicContact OE2-NH2 2.64Å; E126-R130 PolarHBondContact OE2-NH2 3.38Å; E126-T131 HydrophobicContact CB-CG2 3.88Å; E126-R134 HydrophobicContact CG-CG 4.03Å; E126-R134 IonicContact OE1-CZ 3.14Å; E126-R134 IonicContact OE1-NE 3.09Å; E126-R134 PolarHBondContact OE1-NE 2.85Å; E126-R134 IonicContact OE1-NH2 3.44Å; E126-R134 PolarHBondContact OE1-NH2 3.28Å; E126-R134 IonicContact OE2-NE 3.61Å
127D75Confident85.3Confident19 Ų1957.9 Ų57.910%0.10227%0.267CS..  trans-57.4151.4167.4171.260000111.3T129 R130 T131D127-T129 PolarHBondContact O-N 3.3Å; D127-T129 PolarHBondContact OD2-N 3.45Å; D127-T129 PolarHBondContact OD2-OG1 3.31Å; D127-R130 PolarHBondContact O-N 2.82Å; D127-T131 PolarHBondContact O-N 3.36Å
128E65.6Low85.5Confident35 Ų3557.1 Ų57.116%0.16426%0.263CS..THydrogen-bonded Turntrans-50.9-31.2-173.9-80.274.9-168.700113.7N98 S145 I146N98-E128 HydrophobicContact CB-CG 4.31Å; N98-E128 WeakPolarHBondContact CB-OE1 3.48Å; N98-E128 PolarHBondContact ND2-OE1 2.96Å; E128-S145 PolarHBondContact O-OG 3.27Å; E128-I146 HydrophobicContact CB-CB 4.49Å; E128-I146 HydrophobicContact CB-CD1 3.76Å; E128-I146 HydrophobicContact CB-CG1 3.92Å; E128-I146 HydrophobicContact CB-CG2 3.86Å; E128-I146 HydrophobicContact CG-CD1 4.41Å; E128-I146 HydrophobicContact CG-CG2 3.49Å; E128-I146 VanDerWaalsContact CG-CG2 3.49Å
129T66.6Low85.8Confident81 Ų8155.2 Ų55.250%0.49725%0.247SC..THydrogen-bonded Turntrans-78.7-20.6-179.464.50000113.4D127D127-T129 PolarHBondContact O-N 3.3Å; D127-T129 PolarHBondContact OD2-N 3.45Å; D127-T129 PolarHBondContact OD2-OG1 3.31Å
130R79.3Confident86Confident116 Ų11654 Ų5444%0.43824%0.241SC..THydrogen-bonded Turntrans-105.3-16.4-168.1-64-179.358.7-170.3-16.7114E126 D127 Q132 E133 R134E126-R130 HydrophobicContact CB-CB 4.1Å; E126-R130 IonicContact OE2-CZ 3.9Å; E126-R130 IonicContact OE2-NE 2.73Å; E126-R130 PolarHBondContact OE2-NE 3.08Å; E126-R130 IonicContact OE2-NH1 3.42Å; E126-R130 IonicContact OE2-NH2 2.64Å; E126-R130 PolarHBondContact OE2-NH2 3.38Å; D127-R130 PolarHBondContact O-N 2.82Å; R130-Q132 VanDerWaalsContact C-N 3.35Å; R130-Q132 PolarHBondContact O-N 3.11Å; R130-E133 WeakPolarHBondContact O-CB 3.49Å; R130-E133 PolarHBondContact O-N 3.3Å; R130-E133 VanDerWaalsContact O-N 3.14Å; R130-R134 PolarHBondContact O-N 2.8Å
131T81.8Confident86.2Confident0 Ų047.2 Ų47.20%022%0.216CC..Hα-helixtrans-61.3-40.6179.358.40000112.4A96 E126 D127 E133 R134 L135 V144 S145A96-T131 HydrophobicContact CB-CG2 4.15Å; E126-T131 HydrophobicContact CB-CG2 3.88Å; D127-T131 PolarHBondContact O-N 3.36Å; T131-E133 VanDerWaalsContact C-N 3.33Å; T131-E133 PolarHBondContact O-N 2.86Å; T131-R134 WeakPolarHBondContact O-CB 3.37Å; T131-R134 PolarHBondContact O-N 2.84Å; T131-L135 PolarHBondContact O-N 3.28Å; T131-V144 VanDerWaalsContact CB-O 3.28Å; T131-V144 WeakPolarHBondContact CB-O 3.33Å; T131-V144 WeakPolarHBondContact CG2-O 3.22Å; T131-V144 PolarHBondContact OG1-O 3.26Å; T131-S145 WeakPolarHBondContact OG1-CB 3.16Å; T131-S145 PolarHBondContact OG1-OG 3.21Å
132Q85.6Confident86.3Confident9 Ų944.6 Ų44.64%0.04220%0.203CC..Hα-helixtrans-65.2-33.6174.7-82.3-155.515.500113.4R130 R134 L135 R136 Q147 Q149 L151 H270R130-Q132 VanDerWaalsContact C-N 3.35Å; R130-Q132 PolarHBondContact O-N 3.11Å; Q132-R134 VanDerWaalsContact C-N 3.29Å; Q132-R134 PolarHBondContact O-N 2.91Å; Q132-L135 CarbonylContact O-C 3.59Å; Q132-L135 WeakPolarHBondContact O-CB 3.45Å; Q132-L135 PolarHBondContact O-N 3.46Å; Q132-L135 VanDerWaalsContact O-N 3.13Å; Q132-R136 PolarHBondContact O-N 2.93Å; Q132-Q147 VanDerWaalsContact CD-OE1 3.22Å; Q132-Q147 HydrophobicContact CG-CG 4.49Å; Q132-Q149 PolarHBondContact NE2-O 2.96Å; Q132-L151 HydrophobicContact CB-CD1 4.49Å; Q132-H270 PolarHBondContact NE2-CE1 3.28Å; Q132-H270 PolarHBondContact NE2-ND1 2.89Å; Q132-H270 PolarHBondContact NE2-NE2 2.69Å; Q132-H270 VanDerWaalsContact NE2-NE2 3.1Å
133E87.5Confident86.4Confident51 Ų5141.8 Ų41.824%0.23819%0.188CC..Hα-helixtrans-65.6-36.2178.4179.660.7-17300111.3R130 T131 L135 R136 R137R130-E133 WeakPolarHBondContact O-CB 3.49Å; R130-E133 PolarHBondContact O-N 3.3Å; R130-E133 VanDerWaalsContact O-N 3.14Å; T131-E133 VanDerWaalsContact C-N 3.33Å; T131-E133 PolarHBondContact O-N 2.86Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.13Å; E133-R136 VanDerWaalsContact CD-NH2 3.26Å; E133-R136 PolarHBondContact O-N 2.8Å; E133-R136 IonicContact OE1-CZ 2.67Å; E133-R136 IonicContact OE1-NE 3.74Å; E133-R136 IonicContact OE1-NH2 2.69Å; E133-R136 PolarHBondContact OE1-NH2 3.12Å; E133-R136 IonicContact OE2-CZ 3.07Å; E133-R136 IonicContact OE2-NE 3.98Å; E133-R136 PolarHBondContact OE2-NE 2.76Å; E133-R136 IonicContact OE2-NH2 2.83Å; E133-R136 PolarHBondContact OE2-NH2 2.93Å; E133-R137 WeakPolarHBondContact O-CB 3.32Å; E133-R137 WeakPolarHBondContact O-CG 3.42Å; E133-R137 PolarHBondContact O-N 2.98Å; E133-R137 IonicContact OE1-CZ 2.63Å; E133-R137 VanDerWaalsContact OE1-CZ 3.27Å; E133-R137 IonicContact OE1-NE 3.84Å; E133-R137 PolarHBondContact OE1-NE 2.69Å; E133-R137 IonicContact OE1-NH2 3.16Å; E133-R137 PolarHBondContact OE1-NH2 3.36Å
134R89.8Confident86.5Confident64 Ų6439.7 Ų39.724%0.24218%0.177CC..Hα-helixtrans-60.1-42.2172-63.9-69.8-172.4158.2-6.2111.1A96 E126 R130 T131 Q132 R137 G138 E139 V140A96-R134 HydrophobicContact CB-CB 4.01Å; A96-R134 HydrophobicContact CB-CG 4.28Å; E126-R134 HydrophobicContact CG-CG 4.03Å; E126-R134 IonicContact OE1-CZ 3.14Å; E126-R134 IonicContact OE1-NE 3.09Å; E126-R134 PolarHBondContact OE1-NE 2.85Å; E126-R134 IonicContact OE1-NH2 3.44Å; E126-R134 PolarHBondContact OE1-NH2 3.28Å; E126-R134 IonicContact OE2-NE 3.61Å; R130-R134 PolarHBondContact O-N 2.8Å; T131-R134 WeakPolarHBondContact O-CB 3.37Å; T131-R134 PolarHBondContact O-N 2.84Å; Q132-R134 VanDerWaalsContact C-N 3.29Å; Q132-R134 PolarHBondContact O-N 2.91Å; R134-R137 PolarHBondContact O-N 3.47Å; R134-G138 PolarHBondContact O-N 2.81Å; R134-G138 VanDerWaalsContact O-N 3.12Å; R134-E139 HydrophobicContact CB-CB 4.46Å; R134-E139 WeakPolarHBondContact CD-OE2 3.45Å; R134-E139 IonicContact CZ-OE2 3.29Å; R134-E139 IonicContact NE-OE2 3.13Å; R134-E139 PolarHBondContact NE-OE2 3Å; R134-E139 IonicContact NH1-OE2 2.99Å; R134-E139 PolarHBondContact NH1-OE2 3.48Å; R134-E139 PolarHBondContact O-N 3.12Å; R134-V140 HydrophobicContact CB-CG1 4.27Å; R134-V140 HydrophobicContact CB-CG2 3.8Å
135L90.7Very high86.5Confident0 Ų038 Ų380%017%0.169CC..Hα-helixtrans-66.8-44.3176.3-174.165.2000111T131 Q132 E133 R137 G138 V140 A143 L151 H270 F272T131-L135 PolarHBondContact O-N 3.28Å; Q132-L135 CarbonylContact O-C 3.59Å; Q132-L135 WeakPolarHBondContact O-CB 3.45Å; Q132-L135 PolarHBondContact O-N 3.46Å; Q132-L135 VanDerWaalsContact O-N 3.13Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.13Å; L135-R137 VanDerWaalsContact C-N 3.26Å; L135-R137 PolarHBondContact O-N 3.34Å; L135-G138 WeakPolarHBondContact O-CA 3.3Å; L135-G138 PolarHBondContact O-N 3.25Å; L135-V140 HydrophobicContact CB-CG2 4.08Å; L135-V140 HydrophobicContact CD1-CG2 4.31Å; L135-A143 HydrophobicContact CB-CB 4.22Å; L135-A143 HydrophobicContact CD2-CB 4.42Å; L135-L151 HydrophobicContact CB-CD1 4.4Å; L135-L151 HydrophobicContact CD2-CD1 4.42Å; L135-L151 HydrophobicContact CG-CD1 4.46Å; L135-H270 HydrophobicContact CD2-CB 3.53Å; L135-F272 HydrophobicContact CD1-CD2 3.91Å; L135-F272 HydrophobicContact CD1-CE1 4.47Å; L135-F272 HydrophobicContact CD1-CE2 3.66Å; L135-F272 HydrophobicContact CD1-CG 4.43Å; L135-F272 HydrophobicContact CD1-CZ 3.97Å; L135-F272 HydrophobicContact CG-CZ 4.44Å; L135-F272 WeakPolarHBondContact O-CZ 3.35Å
136R89.1Confident86.6Confident164 Ų16437.3 Ų37.362%0.61916%0.163SC*.Hα-helixtrans-57.9-38176.3-167178.372.5144.71.6112.6Q132 E133 G138 L151Q132-R136 PolarHBondContact O-N 2.93Å; E133-R136 VanDerWaalsContact CD-NH2 3.26Å; E133-R136 PolarHBondContact O-N 2.8Å; E133-R136 IonicContact OE1-CZ 2.67Å; E133-R136 IonicContact OE1-NE 3.74Å; E133-R136 IonicContact OE1-NH2 2.69Å; E133-R136 PolarHBondContact OE1-NH2 3.12Å; E133-R136 IonicContact OE2-CZ 3.07Å; E133-R136 IonicContact OE2-NE 3.98Å; E133-R136 PolarHBondContact OE2-NE 2.76Å; E133-R136 IonicContact OE2-NH2 2.83Å; E133-R136 PolarHBondContact OE2-NH2 2.93Å; R136-G138 VanDerWaalsContact C-N 3.26Å; R136-L151 HydrophobicContact CB-CD1 3.8Å; R136-L151 HydrophobicContact CG-CD1 4.43Å
137R88.3Confident87Confident130 Ų13039.9 Ų39.949%0.49118%0.175SC..THydrogen-bonded Turntrans-80.2-5.4174.7-66178.3-174.1-172.25.1113.3Q64 E133 R134 L135 E139Q64-R137 HydrophobicContact CG-CB 4.33Å; Q64-R137 VanDerWaalsContact CG-O 3.3Å; Q64-R137 WeakPolarHBondContact CG-O 3.36Å; Q64-R137 PolarHBondContact NE2-O 2.96Å; E133-R137 WeakPolarHBondContact O-CB 3.32Å; E133-R137 WeakPolarHBondContact O-CG 3.42Å; E133-R137 PolarHBondContact O-N 2.98Å; E133-R137 IonicContact OE1-CZ 2.63Å; E133-R137 VanDerWaalsContact OE1-CZ 3.27Å; E133-R137 IonicContact OE1-NE 3.84Å; E133-R137 PolarHBondContact OE1-NE 2.69Å; E133-R137 IonicContact OE1-NH2 3.16Å; E133-R137 PolarHBondContact OE1-NH2 3.36Å; R134-R137 PolarHBondContact O-N 3.47Å; L135-R137 VanDerWaalsContact C-N 3.26Å; L135-R137 PolarHBondContact O-N 3.34Å; R137-E139 HydrophobicContact CB-CG 3.92Å; R137-E139 WeakPolarHBondContact CD-OE1 3.29Å; R137-E139 PolarHBondContact O-N 3.42Å
138G87.7Confident87.9Confident2 Ų244.4 Ų44.42%0.02120%0.195CC..THydrogen-bonded Turntrans5731-175.100000114A68 R71 R134 L135 R136A68-G138 WeakPolarHBondContact CA-O 3.3Å; R71-G138 PolarHBondContact NH1-O 3.16Å; R134-G138 PolarHBondContact O-N 2.81Å; R134-G138 VanDerWaalsContact O-N 3.12Å; L135-G138 WeakPolarHBondContact O-CA 3.3Å; L135-G138 PolarHBondContact O-N 3.25Å; R136-G138 VanDerWaalsContact C-N 3.26Å
139E89.2Confident89.2Confident31 Ų3148.9 Ų48.915%0.14522%0.216CC..SBendtrans-72.5-22.6169.5-66.6173.9-161.600111.6Q64 Q124 R134 R137Q64-E139 HydrophobicContact CG-CG 4.35Å; Q124-E139 PolarHBondContact NE2-O 2.98Å; R134-E139 HydrophobicContact CB-CB 4.46Å; R134-E139 WeakPolarHBondContact CD-OE2 3.45Å; R134-E139 IonicContact CZ-OE2 3.29Å; R134-E139 IonicContact NE-OE2 3.13Å; R134-E139 PolarHBondContact NE-OE2 3Å; R134-E139 IonicContact NH1-OE2 2.99Å; R134-E139 PolarHBondContact NH1-OE2 3.48Å; R134-E139 PolarHBondContact O-N 3.12Å; R137-E139 HydrophobicContact CB-CG 3.92Å; R137-E139 WeakPolarHBondContact CD-OE1 3.29Å; R137-E139 PolarHBondContact O-N 3.42Å
140V92.7Very high90.5Very high0 Ų047.1 Ų47.10%021%0.209CC..  trans-135.4163.4176.5-59.80000108.7S94 A96 Q124 R134 L135 G142 F272S94-V140 CarbonylContact O-C 3.28Å; S94-V140 VanDerWaalsContact O-CA 3.28Å; S94-V140 WeakPolarHBondContact O-CA 3.48Å; S94-V140 VanDerWaalsContact O-CB 3.25Å; S94-V140 WeakPolarHBondContact O-CB 3.29Å; A96-V140 HydrophobicContact CB-CB 4.37Å; A96-V140 HydrophobicContact CB-CG1 4.01Å; A96-V140 HydrophobicContact CB-CG2 3.84Å; Q124-V140 HydrophobicContact CB-CG1 4.49Å; Q124-V140 HydrophobicContact CG-CG1 4.32Å; R134-V140 HydrophobicContact CB-CG1 4.27Å; R134-V140 HydrophobicContact CB-CG2 3.8Å; L135-V140 HydrophobicContact CB-CG2 4.08Å; L135-V140 HydrophobicContact CD1-CG2 4.31Å; V140-G142 WeakPolarHBondContact CG2-O 3.17Å; V140-F272 WeakPolarHBondContact O-CE2 3.35Å
141V92.7Very high91Very high7 Ų743.2 Ų43.24%0.04220%0.197CC..SBendtrans-108.4-13.9-178.7-63.10000113.1R71 L75 L93 S94 L95 R271 F272 M279R71-V141 HydrophobicContact CB-CG1 4.32Å; L75-V141 HydrophobicContact CD1-CB 3.74Å; L75-V141 HydrophobicContact CD1-CG1 3.53Å; L75-V141 HydrophobicContact CD1-CG2 3.77Å; L93-V141 HydrophobicContact CD1-CG2 3.75Å; S94-V141 WeakPolarHBondContact O-CG2 3.46Å; S94-V141 PolarHBondContact O-N 3Å; L95-V141 HydrophobicContact CD2-CG2 4.15Å; V141-R271 WeakPolarHBondContact O-CA 3.4Å; V141-F272 HydrophobicContact CB-CD2 4.37Å; V141-F272 HydrophobicContact CG1-CD2 4.48Å; V141-F272 PolarHBondContact O-N 2.78Å; V141-M279 HydrophobicContact CG2-CE 4.35Å; V141-M279 HydrophobicContact CG2-SD 3.8Å
142G95Very high91.3Very high0 Ų048.8 Ų48.80%023%0.233CC..EExtended strand (participates in β ladder)trans-147.7157168.700000111.3L95 A96 V140 H270L95-G142 CarbonylContact C-O 3.41Å; L95-G142 VanDerWaalsContact CA-O 3.3Å; L95-G142 WeakPolarHBondContact CA-O 3.41Å; A96-G142 PolarHBondContact N-O 3.09Å; V140-G142 WeakPolarHBondContact CG2-O 3.17Å; G142-H270 CarbonylContact C-O 3.56Å; G142-H270 WeakPolarHBondContact CA-O 3.21Å
143A96.3Very high91.4Very high0 Ų052.9 Ų52.90%026%0.263CS..EExtended strand (participates in β ladder)trans-145.5133.7-177.700000112.2A96 L135 H270A96-A143 HydrophobicContact CB-CB 4.08Å; A96-A143 CarbonylContact O-C 3.58Å; A96-A143 WeakPolarHBondContact O-CA 3.46Å; L135-A143 HydrophobicContact CB-CB 4.22Å; L135-A143 HydrophobicContact CD2-CB 4.42Å; A143-H270 HydrophobicContact CB-CB 4.47Å; A143-H270 PolarHBondContact N-O 3.44Å; A143-H270 PolarHBondContact O-N 3.38Å
144V96.1Very high91.7Very high0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-85.8126.4164178.40000108A96 V97 W105 L106 T131 L159 L267 Y268 W269A96-V144 PolarHBondContact O-N 2.81Å; V97-V144 HydrophobicContact CG1-CB 4.28Å; V97-V144 HydrophobicContact CG1-CG2 4.01Å; W105-V144 HydrophobicContact CH2-CG2 4.33Å; W105-V144 HydrophobicContact CZ2-CG1 4.29Å; W105-V144 HydrophobicContact CZ2-CG2 4.35Å; L106-V144 HydrophobicContact CD1-CG2 4.43Å; T131-V144 VanDerWaalsContact CB-O 3.28Å; T131-V144 WeakPolarHBondContact CB-O 3.33Å; T131-V144 WeakPolarHBondContact CG2-O 3.22Å; T131-V144 PolarHBondContact OG1-O 3.26Å; V144-L159 HydrophobicContact CG1-CD1 4.07Å; V144-L159 HydrophobicContact CG2-CD1 4.18Å; V144-L267 HydrophobicContact CG1-CB 4.43Å; V144-L267 HydrophobicContact CG1-CD1 4.47Å; V144-L267 HydrophobicContact CG1-CD2 4.37Å; V144-Y268 WeakPolarHBondContact CA-O 3.36Å; V144-W269 HydrophobicContact CG2-CE3 3.97Å; V144-W269 HydrophobicContact CG2-CZ3 4.24Å
145S93.5Very high92Very high1 Ų151.3 Ų51.31%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-146.9164.3-175.9-171.90000112.1E128 T131 Q147 L267 Y268E128-S145 PolarHBondContact O-OG 3.27Å; T131-S145 WeakPolarHBondContact OG1-CB 3.16Å; T131-S145 PolarHBondContact OG1-OG 3.21Å; S145-Q147 PolarHBondContact OG-N 2.86Å; S145-L267 CarbonylContact O-C 3.59Å; S145-Y268 PolarHBondContact N-O 2.9Å; S145-Y268 PolarHBondContact O-N 3.3Å
146I92.3Very high92.3Very high50 Ų5053.5 Ų53.526%0.25628%0.275SS..SBendtrans-88.3-9.2173.463.1174.7000113.9E128 M266 L267E128-I146 HydrophobicContact CB-CB 4.49Å; E128-I146 HydrophobicContact CB-CD1 3.76Å; E128-I146 HydrophobicContact CB-CG1 3.92Å; E128-I146 HydrophobicContact CB-CG2 3.86Å; E128-I146 HydrophobicContact CG-CD1 4.41Å; E128-I146 HydrophobicContact CG-CG2 3.49Å; E128-I146 VanDerWaalsContact CG-CG2 3.49Å; I146-M266 WeakPolarHBondContact CA-O 3.44Å; I146-L267 HydrophobicContact CG2-CD2 4.23Å
147Q92.2Very high92.7Very high78 Ų7848.6 Ų48.636%0.36426%0.261SS..  trans-84.3130.9-179.2-25.7178.8-200110.5Q132 S145 H270Q132-Q147 VanDerWaalsContact CD-OE1 3.22Å; Q132-Q147 HydrophobicContact CG-CG 4.49Å; S145-Q147 PolarHBondContact OG-N 2.86Å; Q147-H270 PolarHBondContact O-CE1 3.32Å; Q147-H270 VanDerWaalsContact O-CE1 3.28Å; Q147-H270 PolarHBondContact O-NE2 3.34Å
148H93.8Very high93.1Very high114 Ų11446.3 Ų46.353%0.52825%0.254SS..  trans-80.8-16.4-177.368.3-86000113.7Y268H148-Y268 HydrophobicContact CB-CD1 4.27Å; H148-Y268 HydrophobicContact CB-CD2 4.41Å; H148-Y268 HydrophobicContact CB-CE1 3.66Å; H148-Y268 HydrophobicContact CB-CE2 3.83Å; H148-Y268 VanDerWaalsContact CB-CZ 3.42Å
149Q93.7Very high93.6Very high129 Ų12946.2 Ų46.260%0.60325%0.253SS*.SBendtrans-92.3130.9-176.2-59.7-175.12.900110.5Q132 H270Q132-Q149 PolarHBondContact NE2-O 2.96Å; Q149-H270 PolarHBondContact O-CE1 3.44Å
150A92.2Very high93.9Very high44 Ų4444.7 Ų44.736%0.36425%0.246SC..PPolyproline II helixtrans-70.5144.4172.600000111.2V156A150-V156 HydrophobicContact CB-CB 3.97Å; A150-V156 HydrophobicContact CB-CG1 3.78Å
151L90.1Very high94.1Very high33 Ų3344.8 Ų44.817%0.17325%0.247CC..PPolyproline II helixtrans-68.2159164.6-65.3172.2000110.7Q132 L135 R136 S153 C154Q132-L151 HydrophobicContact CB-CD1 4.49Å; L135-L151 HydrophobicContact CB-CD1 4.4Å; L135-L151 HydrophobicContact CD2-CD1 4.42Å; L135-L151 HydrophobicContact CG-CD1 4.46Å; R136-L151 HydrophobicContact CB-CD1 3.8Å; R136-L151 HydrophobicContact CG-CD1 4.43Å; L151-S153 PolarHBondContact O-N 3.36Å; L151-C154 HydrophobicContact CB-CB 4.15Å; L151-C154 WeakPolarHBondContact O-CB 3.3Å; L151-C154 PolarHBondContact O-N 3.22Å
152P89Confident94.3Very high117 Ų11744.6 Ų44.676%0.7625%0.246SC*.THydrogen-bonded Turntrans-52.2136.3170.4-26.135000111.7C154P152-C154 PolarHBondContact O-N 2.94Å
153S88Confident94.3Very high95 Ų9545.8 Ų45.866%0.66425%0.252SS*.THydrogen-bonded Turntrans60.324-176.2-50.60000114.8L151 A273L151-S153 PolarHBondContact O-N 3.36Å; S153-A273 PolarHBondContact O-N 3.12Å
154C93.7Very high94.3Very high15 Ų1545.9 Ų45.910%0.10125%0.252CS..EExtended strand (participates in β ladder)trans-120.2155.7172.9-61.70000111.1L151 P152 R271L151-C154 HydrophobicContact CB-CB 4.15Å; L151-C154 WeakPolarHBondContact O-CB 3.3Å; L151-C154 PolarHBondContact O-N 3.22Å; P152-C154 PolarHBondContact O-N 2.94Å; C154-R271 CarbonylContact C-O 3.32Å; C154-R271 WeakPolarHBondContact CA-O 3.49Å; C154-R271 WeakPolarHBondContact CB-O 3.25Å
155L96Very high94.4Very high68 Ų6846.8 Ų46.836%0.35626%0.257SS..EExtended strand (participates in β ladder)trans-102.7151.9167.5-56.4178.1000109.2H270 R271 A273 E275L155-H270 WeakPolarHBondContact O-CA 3.28Å; L155-R271 HydrophobicContact CB-CG 4.45Å; L155-R271 PolarHBondContact N-O 2.82Å; L155-R271 PolarHBondContact O-N 3.04Å; L155-A273 HydrophobicContact CD2-CB 4.19Å; L155-A273 HydrophobicContact CG-CB 4Å; L155-E275 HydrophobicContact CD1-CG 3.76Å
156V96.8Very high94.5Very high45 Ų4546.9 Ų46.927%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-132.6133.9174.364.60000109.8A150 Y268 W269 H270A150-V156 HydrophobicContact CB-CB 3.97Å; A150-V156 HydrophobicContact CB-CG1 3.78Å; V156-Y268 HydrophobicContact CG2-CD1 4.07Å; V156-Y268 HydrophobicContact CG2-CG 4.32Å; V156-W269 VanDerWaalsContact CA-O 3.32Å; V156-W269 WeakPolarHBondContact CA-O 3.45Å; V156-H270 WeakPolarHBondContact CG2-CE1 3.3Å
157D97.2Very high94.8Very high61 Ų6144.5 Ų44.533%0.32625%0.245SC..EExtended strand (participates in β ladder)trans-126.7146.4169.5-73.6-59.2000110.5Y268 W269 R271 L287D157-Y268 CarbonylContact O-C 3.57Å; D157-Y268 VanDerWaalsContact O-CA 3.32Å; D157-Y268 WeakPolarHBondContact O-CA 3.29Å; D157-W269 PolarHBondContact N-O 3.23Å; D157-W269 PolarHBondContact O-N 2.88Å; D157-R271 IonicContact OD2-CZ 2.74Å; D157-R271 IonicContact OD2-NH1 3.38Å; D157-R271 PolarHBondContact OD2-NH1 2.91Å; D157-R271 IonicContact OD2-NH2 3.29Å; D157-R271 PolarHBondContact OD2-NH2 3.12Å; D157-L287 HydrophobicContact CB-CD1 4.21Å; D157-L287 HydrophobicContact CB-CD2 3.77Å
158K97.2Very high95.1Very high82 Ų8240.8 Ų40.836%0.35723%0.228SC..EExtended strand (participates in β ladder)trans-77.9125.8175.5-179.8-176.2171.3-172.40109.8Y268 H291 Q296K158-Y268 HydrophobicContact CB-CD1 4.23Å; K158-Y268 HydrophobicContact CB-CE1 4.13Å; K158-Y268 HydrophobicContact CG-CE1 4.26Å; K158-H291 PolarHBondContact O-NE2 3.47Å; K158-Q296 PolarHBondContact NZ-O 3.28Å
159L97.5Very high95.3Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-90-33.7176.2-68.9164.3000112.4W105 V144 L267 W269 L286 L287 H291 L294 Q296W105-L159 HydrophobicContact CH2-CD1 3.65Å; W105-L159 HydrophobicContact CH2-CD2 3.97Å; W105-L159 HydrophobicContact CH2-CG 4.33Å; W105-L159 HydrophobicContact CZ2-CD1 3.93Å; W105-L159 HydrophobicContact CZ3-CD2 4.38Å; V144-L159 HydrophobicContact CG1-CD1 4.07Å; V144-L159 HydrophobicContact CG2-CD1 4.18Å; L159-L267 HydrophobicContact CB-CB 4.16Å; L159-L267 WeakPolarHBondContact CB-O 3.38Å; L159-L267 HydrophobicContact CD1-CB 4.24Å; L159-L267 PolarHBondContact N-O 2.87Å; L159-W269 HydrophobicContact CD1-CB 3.89Å; L159-W269 HydrophobicContact CD2-CB 4.01Å; L159-W269 HydrophobicContact CG-CB 3.88Å; L159-L286 HydrophobicContact CD2-CB 4.05Å; L159-L287 HydrophobicContact CD2-CD2 4.13Å; L159-H291 PolarHBondContact O-CD2 3.13Å; L159-L294 HydrophobicContact CB-CD1 3.97Å; L159-Q296 PolarHBondContact O-NE2 3Å; L159-Q296 VanDerWaalsContact O-NE2 3.09Å
160G96.9Very high95.4Very high0 Ų034.9 Ų34.90%020%0.2CC..EExtended strand (participates in β ladder)trans133-156.6-173.500000110.7M266 L267 R295G160-M266 CarbonylContact O-C 3.39Å; G160-M266 WeakPolarHBondContact O-CA 3.1Å; G160-L267 PolarHBondContact O-N 3.2Å; G160-R295 CarbonylContact C-O 3.03Å; G160-R295 VanDerWaalsContact C-O 3.32Å; G160-R295 VanDerWaalsContact CA-O 3.22Å; G160-R295 WeakPolarHBondContact CA-O 3.41Å
161A96.5Very high95.6Very high2 Ų237 Ų372%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-133.2147.8-179.300000112.7R264 R265 M266 R295A161-R264 HydrophobicContact CB-CG 3.65Å; A161-R265 CarbonylContact C-O 3.53Å; A161-R265 VanDerWaalsContact CA-O 3.23Å; A161-R265 WeakPolarHBondContact CA-O 3.24Å; A161-M266 HydrophobicContact CB-CE 4.45Å; A161-M266 HydrophobicContact CB-CG 4.43Å; A161-M266 HydrophobicContact CB-SD 3.68Å; A161-R295 HydrophobicContact CB-CB 4.28Å; A161-R295 PolarHBondContact N-O 3.3Å; A161-R295 PolarHBondContact O-N 3.23Å; A161-R295 VanDerWaalsContact O-N 3.07Å
162L95.3Very high95.9Very high3 Ų335.6 Ų35.62%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-97.4128.9163.2-69.6174.3000109D100 Y164 P241 L243 R264 R265 L267 L294D100-L162 HydrophobicContact CB-CD1 3.95Å; L162-Y164 HydrophobicContact CB-CD2 4.31Å; L162-Y164 HydrophobicContact CB-CE2 3.67Å; L162-P241 HydrophobicContact CD2-CB 4.37Å; L162-L243 HydrophobicContact CD2-CB 4.41Å; L162-L243 HydrophobicContact CD2-CD2 4.15Å; L162-R264 WeakPolarHBondContact O-CA 3.41Å; L162-R265 PolarHBondContact N-O 3.5Å; L162-R265 PolarHBondContact O-N 2.9Å; L162-L267 HydrophobicContact CD1-CD1 3.83Å; L162-L267 HydrophobicContact CG-CD1 3.88Å; L162-L294 HydrophobicContact CD2-CD2 3.51Å; L162-L294 HydrophobicContact CG-CD2 4.1Å
163D95.7Very high96.3Very high24 Ų2430.5 Ų30.513%0.12817%0.17CC..EExtended strand (participates in β ladder)trans-95.8123.9169.7-71.4-19.3000108.7P241 H242 F262 R264D163-P241 CarbonylContact O-C 3.6Å; D163-P241 WeakPolarHBondContact O-CA 3.26Å; D163-H242 WeakPolarHBondContact O-CB 3.49Å; D163-H242 PolarHBondContact O-N 3.14Å; D163-F262 HydrophobicContact CB-CD2 4.29Å; D163-R264 WeakPolarHBondContact OD1-CB 3.12Å; D163-R264 WeakPolarHBondContact OD1-CG 3.39Å; D163-R264 IonicContact OD1-CZ 2.68Å; D163-R264 IonicContact OD1-NE 3.27Å; D163-R264 PolarHBondContact OD1-NE 2.93Å; D163-R264 IonicContact OD1-NH2 3.59Å; D163-R264 PolarHBondContact OD1-NH2 3.2Å; D163-R264 IonicContact OD2-CZ 2.95Å; D163-R264 IonicContact OD2-NE 2.97Å; D163-R264 IonicContact OD2-NH2 2.78Å; D163-R264 PolarHBondContact OD2-NH2 3.4Å
164Y96.5Very high96.7Very high2 Ų231.5 Ų31.51%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-100.6130.3178-66.1-107.2000109.5D100 L162 M200 I240 P241 F262 Q263 R265D100-Y164 WeakPolarHBondContact OD2-CE1 3.47Å; D100-Y164 VanDerWaalsContact OD2-CZ 3.27Å; D100-Y164 PolarHBondContact OD2-OH 3.45Å; L162-Y164 HydrophobicContact CB-CD2 4.31Å; L162-Y164 HydrophobicContact CB-CE2 3.67Å; Y164-M200 HydrophobicContact CD1-CE 3.49Å; Y164-M200 VanDerWaalsContact CD1-CE 3.49Å; Y164-M200 HydrophobicContact CD1-SD 3.25Å; Y164-M200 WeakPolarHBondContact CD1-SD 3.5Å; Y164-M200 HydrophobicContact CD2-SD 3.93Å; Y164-M200 HydrophobicContact CE1-CE 3.56Å; Y164-M200 HydrophobicContact CE1-SD 3.51Å; Y164-M200 VanDerWaalsContact CE1-SD 3.51Å; Y164-M200 HydrophobicContact CE2-SD 4.18Å; Y164-M200 HydrophobicContact CG-CE 4.3Å; Y164-M200 HydrophobicContact CG-SD 3.46Å; Y164-I240 WeakPolarHBondContact CA-O 3.34Å; Y164-P241 HydrophobicContact CD1-CB 4.49Å; Y164-P241 HydrophobicContact CD1-CG 3.92Å; Y164-P241 HydrophobicContact CE1-CB 4.36Å; Y164-P241 HydrophobicContact CE1-CG 3.47Å; Y164-P241 VanDerWaalsContact CE1-CG 3.47Å; Y164-F262 WeakPolarHBondContact O-CA 3.37Å; Y164-F262 WeakPolarHBondContact O-CB 3.47Å; Y164-Q263 WeakPolarHBondContact CB-O 3.46Å; Y164-Q263 WeakPolarHBondContact CD2-O 3.4Å; Y164-Q263 PolarHBondContact N-O 3.5Å; Y164-Q263 PolarHBondContact O-N 2.89Å; Y164-R265 HydrophobicContact CD2-CG 4.2Å; Y164-R265 HydrophobicContact CE2-CB 3.96Å; Y164-R265 HydrophobicContact CE2-CG 3.75Å
165L97.4Very high96.8Very high20 Ų2037.8 Ų37.811%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-107.1148.7177.1-59.8-176.7000110.4V167 M239 I240 H242 L249 F262L165-V167 HydrophobicContact CB-CG1 3.82Å; L165-M239 WeakPolarHBondContact O-CA 3.44Å; L165-I240 PolarHBondContact N-O 3.2Å; L165-I240 PolarHBondContact O-N 3.46Å; L165-H242 HydrophobicContact CD1-CB 4.15Å; L165-H242 WeakPolarHBondContact CD1-ND1 3.38Å; L165-H242 HydrophobicContact CG-CB 4.22Å; L165-L249 HydrophobicContact CD1-CD1 3.91Å; L165-F262 HydrophobicContact CD2-CB 3.83Å
166F97.4Very high96.9Very high2 Ų237.2 Ų37.21%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-89.6107.9173.6-169.6-130.7000109.8V181 L186 V191 F204 L205 C237 C238 M239 L257 T258F166-V181 HydrophobicContact CE1-CG1 4.44Å; F166-L186 HydrophobicContact CE1-CD2 3.92Å; F166-L186 HydrophobicContact CZ-CD2 3.92Å; F166-V191 HydrophobicContact CE2-CG1 4.44Å; F166-V191 HydrophobicContact CZ-CG1 4.49Å; F166-F204 HydrophobicContact CB-CD1 4.44Å; F166-F204 HydrophobicContact CB-CE1 3.7Å; F166-F204 HydrophobicContact CB-CZ 4Å; F166-F204 HydrophobicContact CD1-CE1 4.13Å; F166-F204 HydrophobicContact CG-CD1 4.5Å; F166-F204 AromaticContact CG-CE1 3.94Å; F166-F204 HydrophobicContact CG-CE1 3.94Å; F166-L205 HydrophobicContact CZ-CD2 4.44Å; F166-C237 HydrophobicContact CE1-CB 4.49Å; F166-C237 HydrophobicContact CE2-CB 3.82Å; F166-C237 HydrophobicContact CZ-CB 3.75Å; F166-C237 WeakPolarHBondContact CZ-SG 3.29Å; F166-C238 WeakPolarHBondContact CA-O 3.32Å; F166-M239 HydrophobicContact CB-SD 3.6Å; F166-M239 HydrophobicContact CD2-CG 4.29Å; F166-M239 HydrophobicContact CD2-SD 3.69Å; F166-M239 HydrophobicContact CG-SD 4.03Å; F166-L257 HydrophobicContact CD1-CB 3.82Å; F166-L257 HydrophobicContact CD1-CD1 3.83Å; F166-L257 HydrophobicContact CD1-CG 4.47Å; F166-L257 HydrophobicContact CE1-CB 4.33Å; F166-L257 HydrophobicContact CE1-CD1 3.7Å; F166-L257 HydrophobicContact CG-CD1 4.42Å; F166-L257 HydrophobicContact CZ-CD1 4.2Å; F166-L257 WeakPolarHBondContact O-CB 3.48Å; F166-L257 PolarHBondContact O-N 3.12Å; F166-T258 HydrophobicContact CD1-CG2 4.1Å
167V97.9Very high96.8Very high0 Ų035.6 Ų35.60%017%0.172CC..EExtended strand (participates in β ladder)trans-128.3156.1-167.9-58.40000113.2L165 C237 C238 I240 I245 L249 L254 I255L165-V167 HydrophobicContact CB-CG1 3.82Å; V167-C237 CarbonylContact O-C 3.54Å; V167-C237 VanDerWaalsContact O-CA 3.27Å; V167-C237 WeakPolarHBondContact O-CA 3.49Å; V167-C238 PolarHBondContact N-O 3.18Å; V167-C238 PolarHBondContact O-N 3.15Å; V167-I240 HydrophobicContact CG2-CB 4.28Å; V167-I240 HydrophobicContact CG2-CD1 3.76Å; V167-I240 HydrophobicContact CG2-CG1 4.01Å; V167-I245 HydrophobicContact CB-CD1 4.28Å; V167-I245 HydrophobicContact CG1-CD1 3.6Å; V167-I245 HydrophobicContact CG2-CD1 3.89Å; V167-L249 HydrophobicContact CG1-CD2 4.31Å; V167-L254 HydrophobicContact CG2-CD1 4.31Å; V167-I255 VanDerWaalsContact CA-O 3.26Å; V167-I255 WeakPolarHBondContact CA-O 3.49Å; V167-I255 WeakPolarHBondContact CB-O 3.41Å
168S97.9Very high96.7Very high0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-151.5173.4165.473.10000110.5L254 I255 L257S168-L254 WeakPolarHBondContact O-CA 3.24Å; S168-I255 PolarHBondContact N-O 2.96Å; S168-I255 PolarHBondContact O-N 3.45Å; S168-L257 WeakPolarHBondContact OG-CD2 3.39Å
169S97.9Very high96.5Very high5 Ų540.4 Ų40.44%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-69.7160163.5740000111.7F172 A173 A231 G234 E253S169-F172 PolarHBondContact O-N 3.27Å; S169-A173 PolarHBondContact O-N 3Å; S169-A173 VanDerWaalsContact O-N 3.14Å; S169-A231 VanDerWaalsContact CB-O 3.31Å; S169-A231 WeakPolarHBondContact CB-O 3.45Å; S169-A231 PolarHBondContact N-O 3.38Å; S169-A231 VanDerWaalsContact N-O 3.11Å; S169-G234 WeakPolarHBondContact OG-CA 3.46Å; S169-E253 WeakPolarHBondContact CA-O 3.44Å
170K96.1Very high96.3Very high115 Ų11542.2 Ų42.250%0.523%0.225SC..Hα-helixtrans-59.1-46.7177.9179.2177.1177.8178.30113.7F172 A173 E174K170-F172 VanDerWaalsContact C-N 3.27Å; K170-F172 PolarHBondContact O-N 3.41Å; K170-A173 PolarHBondContact O-N 2.9Å; K170-A173 VanDerWaalsContact O-N 3.13Å; K170-E174 WeakPolarHBondContact CE-OE1 3.2Å; K170-E174 HydrophobicContact CG-CG 4.38Å; K170-E174 WeakPolarHBondContact O-CG 3.27Å; K170-E174 PolarHBondContact O-N 3.47Å
171P96.3Very high96.2Very high88 Ų8843.4 Ų43.457%0.57123%0.233SC*.Hα-helixtrans-59.8-34.8177.6-25.935.3000113.8K175P171-K175 WeakPolarHBondContact O-CB 3.5Å; P171-K175 PolarHBondContact O-N 3.42Å
172F97.4Very high96.1Very high3 Ų346.1 Ų46.11%0.01325%0.249CC..Hα-helixtrans-67.2-44.5175.8-174.7-90.1000111.3S169 K170 K175 Y176 F177 A189 G234 T235 C237S169-F172 PolarHBondContact O-N 3.27Å; K170-F172 VanDerWaalsContact C-N 3.27Å; K170-F172 PolarHBondContact O-N 3.41Å; F172-K175 PolarHBondContact O-N 3.22Å; F172-Y176 HydrophobicContact CD1-CD2 4.16Å; F172-Y176 AromaticContact CD2-CD2 3.71Å; F172-Y176 HydrophobicContact CD2-CD2 3.71Å; F172-Y176 AromaticContact CD2-CE2 3.79Å; F172-Y176 HydrophobicContact CD2-CE2 3.79Å; F172-Y176 AromaticContact CE1-CD2 3.9Å; F172-Y176 HydrophobicContact CE1-CD2 3.9Å; F172-Y176 HydrophobicContact CE1-CG 4.38Å; F172-Y176 AromaticContact CE2-CD2 3.43Å; F172-Y176 HydrophobicContact CE2-CD2 3.43Å; F172-Y176 VanDerWaalsContact CE2-CD2 3.43Å; F172-Y176 AromaticContact CE2-CE2 3.36Å; F172-Y176 HydrophobicContact CE2-CE2 3.36Å; F172-Y176 HydrophobicContact CE2-CG 4.46Å; F172-Y176 HydrophobicContact CG-CD2 4.09Å; F172-Y176 AromaticContact CZ-CD2 3.56Å; F172-Y176 HydrophobicContact CZ-CD2 3.56Å; F172-Y176 AromaticContact CZ-CE2 3.86Å; F172-Y176 HydrophobicContact CZ-CE2 3.86Å; F172-Y176 HydrophobicContact CZ-CG 4.19Å; F172-Y176 PolarHBondContact O-N 3.31Å; F172-F177 HydrophobicContact CD1-CE2 4.28Å; F172-F177 AromaticContact CE1-CE2 3.83Å; F172-F177 HydrophobicContact CE1-CE2 3.83Å; F172-A189 HydrophobicContact CE1-CB 4.29Å; F172-A189 HydrophobicContact CZ-CB 4.08Å; F172-G234 WeakPolarHBondContact CD2-O 3.38Å; F172-T235 VanDerWaalsContact CE2-C 3.4Å; F172-T235 VanDerWaalsContact CE2-O 3.25Å; F172-T235 WeakPolarHBondContact CE2-O 3.48Å; F172-C237 HydrophobicContact CD1-CB 4.28Å; F172-C237 HydrophobicContact CE1-CB 3.67Å; F172-C237 HydrophobicContact CZ-CB 4.38Å
173A97Very high96.1Very high10 Ų1052.2 Ų52.28%0.08327%0.272CS..Hα-helixtrans-62.9-42177.800000112.4S169 K170 K175 F177 I255 L257S169-A173 PolarHBondContact O-N 3Å; S169-A173 VanDerWaalsContact O-N 3.14Å; K170-A173 PolarHBondContact O-N 2.9Å; K170-A173 VanDerWaalsContact O-N 3.13Å; A173-K175 VanDerWaalsContact C-N 3.27Å; A173-K175 PolarHBondContact O-N 3.18Å; A173-F177 CarbonylContact O-C 3.09Å; A173-F177 WeakPolarHBondContact O-CA 3.34Å; A173-F177 WeakPolarHBondContact O-CB 3.35Å; A173-F177 PolarHBondContact O-N 2.95Å; A173-I255 HydrophobicContact CB-CD1 3.56Å; A173-I255 HydrophobicContact CB-CG1 4.38Å; A173-L257 HydrophobicContact CB-CD2 3.71Å
174E95.6Very high96Very high117 Ų11754.8 Ų54.855%0.54729%0.292SS..Hα-helixtrans-62.7-35176-71.2172.7170.800112.2K170K170-E174 WeakPolarHBondContact CE-OE1 3.2Å; K170-E174 HydrophobicContact CG-CG 4.38Å; K170-E174 WeakPolarHBondContact O-CG 3.27Å; K170-E174 PolarHBondContact O-N 3.47Å
175K96.6Very high95.9Very high146 Ų14655.3 Ų55.364%0.63530%0.297SS*.Hα-helixtrans-74.3-47.2179.1-179.8-178.4175-167.30113.1P171 F172 A173P171-K175 WeakPolarHBondContact O-CB 3.5Å; P171-K175 PolarHBondContact O-N 3.42Å; F172-K175 PolarHBondContact O-N 3.22Å; A173-K175 VanDerWaalsContact C-N 3.27Å; A173-K175 PolarHBondContact O-N 3.18Å
176Y96.8Very high95.8Very high56 Ų5654.4 Ų54.422%0.2229%0.292CS..Hα-helixtrans-100.3-30-171.4-73.3-80.2000113.7F172 A185 K188 A189F172-Y176 HydrophobicContact CD1-CD2 4.16Å; F172-Y176 AromaticContact CD2-CD2 3.71Å; F172-Y176 HydrophobicContact CD2-CD2 3.71Å; F172-Y176 AromaticContact CD2-CE2 3.79Å; F172-Y176 HydrophobicContact CD2-CE2 3.79Å; F172-Y176 AromaticContact CE1-CD2 3.9Å; F172-Y176 HydrophobicContact CE1-CD2 3.9Å; F172-Y176 HydrophobicContact CE1-CG 4.38Å; F172-Y176 AromaticContact CE2-CD2 3.43Å; F172-Y176 HydrophobicContact CE2-CD2 3.43Å; F172-Y176 VanDerWaalsContact CE2-CD2 3.43Å; F172-Y176 AromaticContact CE2-CE2 3.36Å; F172-Y176 HydrophobicContact CE2-CE2 3.36Å; F172-Y176 HydrophobicContact CE2-CG 4.46Å; F172-Y176 HydrophobicContact CG-CD2 4.09Å; F172-Y176 AromaticContact CZ-CD2 3.56Å; F172-Y176 HydrophobicContact CZ-CD2 3.56Å; F172-Y176 AromaticContact CZ-CE2 3.86Å; F172-Y176 HydrophobicContact CZ-CE2 3.86Å; F172-Y176 HydrophobicContact CZ-CG 4.19Å; F172-Y176 PolarHBondContact O-N 3.31Å; Y176-A185 VanDerWaalsContact O-CB 3.29Å; Y176-A185 WeakPolarHBondContact O-CB 3.33Å; Y176-K188 HydrophobicContact CD1-CB 4.39Å; Y176-K188 HydrophobicContact CE1-CB 4.36Å; Y176-K188 WeakPolarHBondContact CE1-O 3.49Å; Y176-A189 HydrophobicContact CD1-CB 3.94Å; Y176-A189 HydrophobicContact CG-CB 4.02Å
177F96.5Very high95.7Very high12 Ų1257.9 Ų57.95%0.05331%0.31CS..  trans-126.144.3-173.6-50.2-60.9000113.5F172 A173 N179 G180 V181 A185 L186 A189 L257F172-F177 HydrophobicContact CD1-CE2 4.28Å; F172-F177 AromaticContact CE1-CE2 3.83Å; F172-F177 HydrophobicContact CE1-CE2 3.83Å; A173-F177 CarbonylContact O-C 3.09Å; A173-F177 WeakPolarHBondContact O-CA 3.34Å; A173-F177 WeakPolarHBondContact O-CB 3.35Å; A173-F177 PolarHBondContact O-N 2.95Å; F177-N179 PolarHBondContact O-N 2.68Å; F177-N179 VanDerWaalsContact O-N 3.07Å; F177-G180 PolarHBondContact O-N 2.78Å; F177-V181 HydrophobicContact CD1-CB 4.38Å; F177-V181 HydrophobicContact CD1-CG1 4.48Å; F177-V181 HydrophobicContact CD1-CG2 4.1Å; F177-V181 HydrophobicContact CD2-CG2 4.43Å; F177-V181 HydrophobicContact CE1-CG1 4.27Å; F177-V181 HydrophobicContact CE1-CG2 4.42Å; F177-V181 HydrophobicContact CG-CG2 4.11Å; F177-A185 HydrophobicContact CD1-CB 3.57Å; F177-A185 HydrophobicContact CE1-CB 3.73Å; F177-L186 HydrophobicContact CE1-CD2 4.09Å; F177-L186 HydrophobicContact CE1-CG 4.19Å; F177-L186 HydrophobicContact CZ-CD2 4.04Å; F177-A189 HydrophobicContact CE1-CB 4.08Å; F177-A189 HydrophobicContact CE2-CB 4.25Å; F177-A189 HydrophobicContact CZ-CB 3.49Å; F177-A189 VanDerWaalsContact CZ-CB 3.49Å; F177-L257 HydrophobicContact CD2-CD1 4.07Å; F177-L257 HydrophobicContact CD2-CD2 3.77Å; F177-L257 HydrophobicContact CE2-CD1 3.73Å; F177-L257 HydrophobicContact CE2-CD2 4.3Å
178P94.4Very high95.5Very high90 Ų9065.1 Ų65.158%0.58434%0.342SS*.THydrogen-bonded Turntrans-60.7-25-176.925.8-35.4000113.5
179N92.8Very high95.4Very high153 Ų15365.1 Ų65.182%0.81834%0.342SS*.THydrogen-bonded Turntrans-113.826.5178.1-57.6-45.4000111.7F177F177-N179 PolarHBondContact O-N 2.68Å; F177-N179 VanDerWaalsContact O-N 3.07Å
180G93.1Very high95.4Very high38 Ų3865.8 Ų65.839%0.39235%0.346SS..  trans86.3174.5-17500000114.2F177 T182F177-G180 PolarHBondContact O-N 2.78Å; G180-T182 PolarHBondContact O-N 2.97Å
181V95.3Very high95.4Very high25 Ų2560.4 Ų60.415%0.15232%0.322CS..  trans-75.8118.6-179.6-176.70000109.6F166 F177 L186 F209 L257 T258F166-V181 HydrophobicContact CE1-CG1 4.44Å; F177-V181 HydrophobicContact CD1-CB 4.38Å; F177-V181 HydrophobicContact CD1-CG1 4.48Å; F177-V181 HydrophobicContact CD1-CG2 4.1Å; F177-V181 HydrophobicContact CD2-CG2 4.43Å; F177-V181 HydrophobicContact CE1-CG1 4.27Å; F177-V181 HydrophobicContact CE1-CG2 4.42Å; F177-V181 HydrophobicContact CG-CG2 4.11Å; V181-L186 HydrophobicContact CG1-CD1 3.59Å; V181-L186 HydrophobicContact CG1-CD2 3.9Å; V181-L186 HydrophobicContact CG1-CG 3.72Å; V181-F209 HydrophobicContact CB-CE1 4.1Å; V181-F209 HydrophobicContact CB-CZ 4.01Å; V181-F209 HydrophobicContact CG1-CD1 4.36Å; V181-F209 HydrophobicContact CG1-CE1 3.66Å; V181-F209 HydrophobicContact CG1-CE2 4.06Å; V181-F209 HydrophobicContact CG1-CZ 3.49Å; V181-F209 VanDerWaalsContact CG1-CZ 3.49Å; V181-L257 HydrophobicContact CG2-CB 3.79Å; V181-L257 VanDerWaalsContact CG2-O 3.3Å; V181-L257 WeakPolarHBondContact CG2-O 3.28Å; V181-T258 HydrophobicContact CB-CG2 4.17Å; V181-T258 HydrophobicContact CG1-CG2 4.4Å; V181-T258 HydrophobicContact CG2-CG2 3.99Å
182T94.6Very high95.3Very high60 Ų6056.2 Ų56.237%0.36830%0.295SS..  trans-130.2157.7177.761.90000110G180 S184 A185 L186G180-T182 PolarHBondContact O-N 2.97Å; T182-S184 PolarHBondContact O-N 2.75Å; T182-S184 PolarHBondContact OG1-OG 3.34Å; T182-A185 PolarHBondContact O-N 2.73Å; T182-A185 VanDerWaalsContact O-N 3.11Å; T182-A185 WeakPolarHBondContact OG1-CB 3.49Å; T182-A185 PolarHBondContact OG1-N 3.5Å; T182-L186 WeakPolarHBondContact O-CG 3.43Å; T182-L186 PolarHBondContact O-N 3.01Å
183R93.9Very high95.1Very high131 Ų13156.1 Ų56.149%0.49430%0.295SS..Hα-helixtrans-51.2-44.1176.4-168.9175.2-175-106.12.6112.3L187 D210 L211R183-L187 WeakPolarHBondContact O-CG 3.39Å; R183-L187 PolarHBondContact O-N 2.59Å; R183-D210 PolarHBondContact NE-O 2.68Å; R183-D210 VanDerWaalsContact NE-O 3.15Å; R183-L211 HydrophobicContact CG-CD2 3.47Å; R183-L211 VanDerWaalsContact CG-CD2 3.47Å; R183-L211 HydrophobicContact CG-CG 3.9Å
184S93.9Very high94.7Very high77 Ų7757.3 Ų57.354%0.53830%0.299SS..Hα-helixtrans-70.6-32.3-178.657.90000113.6T182T182-S184 PolarHBondContact O-N 2.75Å; T182-S184 PolarHBondContact OG1-OG 3.34Å
185A95.1Very high94.2Very high14 Ų1452.9 Ų52.912%0.11628%0.278CS..Hα-helixtrans-71.4-44.317500000111.6Y176 F177 T182 L187 K188 A189Y176-A185 VanDerWaalsContact O-CB 3.29Å; Y176-A185 WeakPolarHBondContact O-CB 3.33Å; F177-A185 HydrophobicContact CD1-CB 3.57Å; F177-A185 HydrophobicContact CE1-CB 3.73Å; T182-A185 PolarHBondContact O-N 2.73Å; T182-A185 VanDerWaalsContact O-N 3.11Å; T182-A185 WeakPolarHBondContact OG1-CB 3.49Å; T182-A185 PolarHBondContact OG1-N 3.5Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 3.43Å; A185-K188 PolarHBondContact O-N 3.32Å; A185-A189 PolarHBondContact O-N 3.41Å; A185-A189 VanDerWaalsContact O-N 3.16Å
186L95.5Very high93.5Very high0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-59.2-38.2179.5-76.9164.6000112.8F166 F177 V181 T182 K188 A189 L205 F209 L211 V216F166-L186 HydrophobicContact CE1-CD2 3.92Å; F166-L186 HydrophobicContact CZ-CD2 3.92Å; F177-L186 HydrophobicContact CE1-CD2 4.09Å; F177-L186 HydrophobicContact CE1-CG 4.19Å; F177-L186 HydrophobicContact CZ-CD2 4.04Å; V181-L186 HydrophobicContact CG1-CD1 3.59Å; V181-L186 HydrophobicContact CG1-CD2 3.9Å; V181-L186 HydrophobicContact CG1-CG 3.72Å; T182-L186 WeakPolarHBondContact O-CG 3.43Å; T182-L186 PolarHBondContact O-N 3.01Å; L186-K188 PolarHBondContact O-N 2.79Å; L186-A189 PolarHBondContact O-N 3.41Å; L186-L205 HydrophobicContact CD1-CD2 3.85Å; L186-L205 HydrophobicContact CD2-CD2 3.73Å; L186-L205 HydrophobicContact CG-CD2 4.41Å; L186-F209 HydrophobicContact CD1-CB 3.96Å; L186-F209 HydrophobicContact CD1-CD1 4.02Å; L186-F209 HydrophobicContact CD1-CD2 3.79Å; L186-F209 HydrophobicContact CD1-CE1 4.49Å; L186-F209 HydrophobicContact CD1-CE2 4.3Å; L186-F209 HydrophobicContact CD1-CG 3.64Å; L186-L211 HydrophobicContact CB-CD1 3.55Å; L186-L211 HydrophobicContact CD1-CD1 3.64Å; L186-L211 HydrophobicContact CG-CD1 4.22Å; L186-V216 HydrophobicContact CB-CG1 4.35Å; L186-V216 VanDerWaalsContact O-CG1 3.29Å; L186-V216 WeakPolarHBondContact O-CG1 3.19Å
187L95.2Very high92.7Very high75 Ų7556.9 Ų56.939%0.39331%0.305SS..THydrogen-bonded Turntrans-58.5-16.4175-69.4174.1000114.1R183 A185 L211 S215R183-L187 WeakPolarHBondContact O-CG 3.39Å; R183-L187 PolarHBondContact O-N 2.59Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 3.43Å; L187-L211 HydrophobicContact CD2-CD2 3.75Å; L187-L211 HydrophobicContact CG-CD2 4.13Å; L187-S215 VanDerWaalsContact CD2-O 3.26Å; L187-S215 WeakPolarHBondContact CD2-O 3.46Å
188K94.5Very high92Very high153 Ų15357.3 Ų57.367%0.66531%0.307SS*.THydrogen-bonded Turntrans-110.9-18.8-179.6-58.5176.9-174.61760113.2Y176 A185 L186 P190Y176-K188 HydrophobicContact CD1-CB 4.39Å; Y176-K188 HydrophobicContact CE1-CB 4.36Å; Y176-K188 WeakPolarHBondContact CE1-O 3.49Å; A185-K188 PolarHBondContact O-N 3.32Å; L186-K188 PolarHBondContact O-N 2.79Å; K188-P190 WeakPolarHBondContact O-CD 3.5Å
189A95.8Very high91.5Very high0 Ų056.9 Ų56.90%030%0.3CS..SBendtrans-85.8122.5-173.500000110.3F172 Y176 F177 A185 L186 V191F172-A189 HydrophobicContact CE1-CB 4.29Å; F172-A189 HydrophobicContact CZ-CB 4.08Å; Y176-A189 HydrophobicContact CD1-CB 3.94Å; Y176-A189 HydrophobicContact CG-CB 4.02Å; F177-A189 HydrophobicContact CE1-CB 4.08Å; F177-A189 HydrophobicContact CE2-CB 4.25Å; F177-A189 HydrophobicContact CZ-CB 3.49Å; F177-A189 VanDerWaalsContact CZ-CB 3.49Å; A185-A189 PolarHBondContact O-N 3.41Å; A185-A189 VanDerWaalsContact O-N 3.16Å; L186-A189 PolarHBondContact O-N 3.41Å; A189-V191 PolarHBondContact O-N 3.3Å
190P96.1Very high91.3Very high19 Ų1950.2 Ų50.212%0.12326%0.264CS..  trans-63.5130174-23.134.1000112.1K188 P217 T236 C237K188-P190 WeakPolarHBondContact O-CD 3.5Å; P190-P217 WeakPolarHBondContact CA-O 3.33Å; P190-T236 HydrophobicContact CB-CG2 4.28Å; P190-T236 WeakPolarHBondContact O-CA 3.01Å; P190-C237 PolarHBondContact O-N 3.37Å; P190-C237 PolarHBondContact O-SG 3.33Å; P190-C237 VanDerWaalsContact O-SG 3.33Å
191V96Very high91.1Very high1 Ų148.7 Ų48.71%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-109.1171.1170.7-57.90000111.2F166 A189 V216 P217 C218 H219 C237F166-V191 HydrophobicContact CE2-CG1 4.44Å; F166-V191 HydrophobicContact CZ-CG1 4.49Å; A189-V191 PolarHBondContact O-N 3.3Å; V191-V216 HydrophobicContact CG1-CG2 4.24Å; V191-V216 HydrophobicContact CG2-CG2 3.54Å; V191-P217 WeakPolarHBondContact CG2-O 3.4Å; V191-P217 PolarHBondContact N-O 3.33Å; V191-C218 HydrophobicContact CG2-CB 3.88Å; V191-C218 WeakPolarHBondContact O-CA 3.41Å; V191-H219 PolarHBondContact O-N 2.77Å; V191-C237 VanDerWaalsContact CA-O 3.26Å; V191-C237 WeakPolarHBondContact CA-O 3.4Å
192V94.7Very high90.9Very high1 Ų150.3 Ų50.31%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-124.3139.6173.8-165.60000110.3H219 V221 F227 L230 T236 C237 C238V192-H219 CarbonylContact C-O 3.55Å; V192-H219 WeakPolarHBondContact CA-O 3.5Å; V192-H219 HydrophobicContact CG1-CB 4.41Å; V192-H219 HydrophobicContact CG2-CB 4.4Å; V192-V221 HydrophobicContact CG1-CB 3.86Å; V192-V221 HydrophobicContact CG1-CG2 3.77Å; V192-F227 HydrophobicContact CB-CD1 4.45Å; V192-F227 HydrophobicContact CB-CD2 4.47Å; V192-F227 HydrophobicContact CB-CE1 4.18Å; V192-F227 HydrophobicContact CB-CE2 4.2Å; V192-F227 HydrophobicContact CB-CZ 4.06Å; V192-F227 HydrophobicContact CG1-CD2 3.75Å; V192-F227 HydrophobicContact CG1-CE1 4.17Å; V192-F227 HydrophobicContact CG1-CE2 3.32Å; V192-F227 HydrophobicContact CG1-CG 4.33Å; V192-F227 HydrophobicContact CG1-CZ 3.57Å; V192-L230 HydrophobicContact CG1-CD1 4.24Å; V192-L230 HydrophobicContact CG2-CD1 4.04Å; V192-T236 HydrophobicContact CG2-CG2 3.74Å; V192-C237 PolarHBondContact N-O 3.16Å; V192-C238 WeakPolarHBondContact CG2-SG 3.48Å
193A93.1Very high90.8Very high1 Ų148.8 Ų48.81%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-125.7150.4171.100000110.4H201 C218 H219 I220 V221 F227A193-H201 VanDerWaalsContact CB-CE1 3.43Å; A193-H201 WeakPolarHBondContact CB-CE1 3.49Å; A193-C218 VanDerWaalsContact CB-SG 3.58Å; A193-H219 PolarHBondContact N-O 2.57Å; A193-I220 HydrophobicContact CB-CD1 3.97Å; A193-I220 WeakPolarHBondContact O-CA 3.32Å; A193-V221 PolarHBondContact O-N 3.44Å; A193-F227 VanDerWaalsContact C-CZ 3.43Å
194F89.2Confident90.8Very high35 Ų3542.5 Ų42.515%0.15422%0.222CC..SBendtrans-73.8-42-170.8-174.7-91.6000111.1A99 D198 V221 N222 F227A99-F194 HydrophobicContact CB-CD2 4.43Å; A99-F194 HydrophobicContact CB-CE2 3.49Å; A99-F194 VanDerWaalsContact CB-CE2 3.49Å; A99-F194 HydrophobicContact CB-CZ 3.71Å; F194-D198 HydrophobicContact CB-CB 4.19Å; F194-D198 PolarHBondContact N-OD2 2.63Å; F194-V221 WeakPolarHBondContact CA-O 3.33Å; F194-V221 CarbonylContact O-C 3.58Å; F194-V221 VanDerWaalsContact O-C 3.29Å; F194-N222 HydrophobicContact CE1-CB 4.28Å; F194-N222 HydrophobicContact CZ-CB 4.23Å; F194-N222 WeakPolarHBondContact O-CA 3.37Å; F194-N222 PolarHBondContact O-N 3.44Å; F194-N222 PolarHBondContact O-ND2 3.14Å; F194-N222 PolarHBondContact O-OD1 2.83Å; F194-F227 HydrophobicContact CB-CZ 4.21Å
195D85.3Confident90.9Very high23 Ų2339 Ų3912%0.12320%0.198CC..SBendtrans-146.1-169.9169.670.519.4000110.6L197 D198D195-L197 VanDerWaalsContact C-N 3.26Å; D195-L197 PolarHBondContact O-N 2.74Å; D195-L197 WeakPolarHBondContact OD1-CA 2.89Å; D195-L197 WeakPolarHBondContact OD1-CB 3.34Å; D195-L197 PolarHBondContact OD1-N 3.07Å; D195-D198 PolarHBondContact OD1-N 2.72Å
196H82.2Confident90.8Very high165 Ų16543.1 Ų43.176%0.76421%0.214SC*.SBendtrans-76.7-10.3179.4-63-66.5000114.4
197L79.7Confident90.8Very high122 Ų12249.8 Ų49.864%0.63925%0.246SC*.SBendtrans-102-18.4-179.8-58.2177.1000111.9D195 D199D195-L197 VanDerWaalsContact C-N 3.26Å; D195-L197 PolarHBondContact O-N 2.74Å; D195-L197 WeakPolarHBondContact OD1-CA 2.89Å; D195-L197 WeakPolarHBondContact OD1-CB 3.34Å; D195-L197 PolarHBondContact OD1-N 3.07Å; L197-D199 PolarHBondContact O-N 3.08Å; L197-D199 VanDerWaalsContact O-N 3.11Å
198D81.3Confident90.8Very high20 Ų2048.8 Ų48.811%0.10724%0.24CC..  trans-61.8108.2174.3176.714.9000111.6F194 D195 M200F194-D198 HydrophobicContact CB-CB 4.19Å; F194-D198 PolarHBondContact N-OD2 2.63Å; D195-D198 PolarHBondContact OD1-N 2.72Å; D198-M200 WeakPolarHBondContact OD1-CB 3.44Å; D198-M200 PolarHBondContact OD1-N 3Å
199D84.1Confident90.8Very high82 Ų8243.3 Ų43.344%0.43922%0.217SC..  trans-94-1.8-179.674-0.1000113.5L197 H201 Q202 A203 R265L197-D199 PolarHBondContact O-N 3.08Å; L197-D199 VanDerWaalsContact O-N 3.11Å; D199-H201 PolarHBondContact O-N 2.64Å; D199-Q202 CarbonylContact O-C 3.6Å; D199-Q202 WeakPolarHBondContact O-CA 3.31Å; D199-Q202 WeakPolarHBondContact O-CB 3.27Å; D199-Q202 PolarHBondContact O-N 2.89Å; D199-A203 WeakPolarHBondContact O-CB 3.23Å; D199-A203 PolarHBondContact O-N 3.46Å; D199-R265 IonicContact OD1-NH2 3.35Å; D199-R265 PolarHBondContact OD1-NH2 3.25Å
200M88.1Confident90.7Very high13 Ų1349.3 Ų49.36%0.06425%0.249CC..Hα-helixtrans-60.7-49.9-164.1177.9170.35500112.7Y164 D198 Q202 F204 M239 Q263Y164-M200 HydrophobicContact CD1-CE 3.49Å; Y164-M200 VanDerWaalsContact CD1-CE 3.49Å; Y164-M200 HydrophobicContact CD1-SD 3.25Å; Y164-M200 WeakPolarHBondContact CD1-SD 3.5Å; Y164-M200 HydrophobicContact CD2-SD 3.93Å; Y164-M200 HydrophobicContact CE1-CE 3.56Å; Y164-M200 HydrophobicContact CE1-SD 3.51Å; Y164-M200 VanDerWaalsContact CE1-SD 3.51Å; Y164-M200 HydrophobicContact CE2-SD 4.18Å; Y164-M200 HydrophobicContact CG-CE 4.3Å; Y164-M200 HydrophobicContact CG-SD 3.46Å; D198-M200 WeakPolarHBondContact OD1-CB 3.44Å; D198-M200 PolarHBondContact OD1-N 3Å; M200-Q202 VanDerWaalsContact C-N 3.31Å; M200-Q202 PolarHBondContact O-N 2.97Å; M200-F204 WeakPolarHBondContact O-CB 3.48Å; M200-F204 PolarHBondContact O-N 2.88Å; M200-M239 HydrophobicContact CE-CB 3.78Å; M200-M239 HydrophobicContact CG-CB 4.3Å; M200-M239 HydrophobicContact CG-CG 4.48Å; M200-M239 HydrophobicContact SD-CB 4.3Å; M200-Q263 HydrophobicContact CG-CG 4.34Å
201H88.7Confident90.6Very high6 Ų648.6 Ų48.63%0.02824%0.244CC..Hα-helixtrans-66.2-36.6176.774.1-81.1000111.1A193 D199 F204 L205 M239A193-H201 VanDerWaalsContact CB-CE1 3.43Å; A193-H201 WeakPolarHBondContact CB-CE1 3.49Å; D199-H201 PolarHBondContact O-N 2.64Å; H201-F204 PolarHBondContact O-N 2.64Å; H201-L205 WeakPolarHBondContact O-CB 3.45Å; H201-L205 WeakPolarHBondContact O-CG 3.46Å; H201-L205 PolarHBondContact O-N 3.31Å; H201-M239 HydrophobicContact CB-CG 3.95Å
202Q91.2Very high90.4Very high59 Ų5952 Ų5228%0.27627%0.266SS..Hα-helixtrans-66.2-46.7-179.4-56.8-177.1-9.100110.8D199 M200 F204 L205 Q206D199-Q202 CarbonylContact O-C 3.6Å; D199-Q202 WeakPolarHBondContact O-CA 3.31Å; D199-Q202 WeakPolarHBondContact O-CB 3.27Å; D199-Q202 PolarHBondContact O-N 2.89Å; M200-Q202 VanDerWaalsContact C-N 3.31Å; M200-Q202 PolarHBondContact O-N 2.97Å; Q202-F204 PolarHBondContact O-N 3.3Å; Q202-L205 PolarHBondContact O-N 3.5Å; Q202-Q206 WeakPolarHBondContact O-CB 3.37Å; Q202-Q206 PolarHBondContact O-N 3.25Å
203A92.4Very high90.1Very high27 Ų2755.4 Ų55.422%0.22329%0.288CS..Hα-helixtrans-60.3-45.5176.100000111.1D199 Q206 Q207D199-A203 WeakPolarHBondContact O-CB 3.23Å; D199-A203 PolarHBondContact O-N 3.46Å; A203-Q206 PolarHBondContact O-N 3.06Å; A203-Q207 VanDerWaalsContact O-CB 3.23Å; A203-Q207 WeakPolarHBondContact O-CB 3.36Å; A203-Q207 PolarHBondContact O-N 3.16Å
204F94.9Very high90Very high0 Ų058.4 Ų58.40%032%0.319CS..Hα-helixtrans-60.8-46.6176.8179.5-96.9000112.2F166 M200 H201 Q202 N208 F209 M239 T258 L261 Q263F166-F204 HydrophobicContact CB-CD1 4.44Å; F166-F204 HydrophobicContact CB-CE1 3.7Å; F166-F204 HydrophobicContact CB-CZ 4Å; F166-F204 HydrophobicContact CD1-CE1 4.13Å; F166-F204 HydrophobicContact CG-CD1 4.5Å; F166-F204 AromaticContact CG-CE1 3.94Å; F166-F204 HydrophobicContact CG-CE1 3.94Å; M200-F204 WeakPolarHBondContact O-CB 3.48Å; M200-F204 PolarHBondContact O-N 2.88Å; H201-F204 PolarHBondContact O-N 2.64Å; Q202-F204 PolarHBondContact O-N 3.3Å; F204-N208 WeakPolarHBondContact CD2-ND2 3.27Å; F204-N208 WeakPolarHBondContact CE2-ND2 3.45Å; F204-N208 WeakPolarHBondContact O-CB 3.49Å; F204-N208 PolarHBondContact O-N 2.97Å; F204-N208 VanDerWaalsContact O-N 3.12Å; F204-N208 PolarHBondContact O-ND2 3.38Å; F204-F209 HydrophobicContact CE1-CE2 4.15Å; F204-M239 HydrophobicContact CB-CE 4.06Å; F204-M239 HydrophobicContact CB-SD 4.22Å; F204-M239 HydrophobicContact CD1-CE 4.3Å; F204-M239 HydrophobicContact CD1-SD 3.75Å; F204-M239 HydrophobicContact CD2-CE 3.74Å; F204-M239 HydrophobicContact CD2-SD 4.28Å; F204-M239 HydrophobicContact CE1-SD 4.18Å; F204-M239 HydrophobicContact CE2-CE 4.27Å; F204-M239 HydrophobicContact CG-CE 3.76Å; F204-M239 HydrophobicContact CG-SD 3.81Å; F204-T258 HydrophobicContact CZ-CG2 4.38Å; F204-T258 WeakPolarHBondContact CZ-OG1 3.39Å; F204-L261 HydrophobicContact CE2-CB 3.9Å; F204-L261 HydrophobicContact CZ-CB 3.93Å; F204-Q263 HydrophobicContact CD2-CB 4.45Å
205L95Very high90.1Very high4 Ų458.4 Ų58.42%0.02132%0.324CS..Hα-helixtrans-70.3-36.7-179.9-66.6-178000112.6F166 L186 H201 Q202 F209 D210 L211 V216F166-L205 HydrophobicContact CZ-CD2 4.44Å; L186-L205 HydrophobicContact CD1-CD2 3.85Å; L186-L205 HydrophobicContact CD2-CD2 3.73Å; L186-L205 HydrophobicContact CG-CD2 4.41Å; H201-L205 WeakPolarHBondContact O-CB 3.45Å; H201-L205 WeakPolarHBondContact O-CG 3.46Å; H201-L205 PolarHBondContact O-N 3.31Å; Q202-L205 PolarHBondContact O-N 3.5Å; L205-F209 HydrophobicContact CD2-CD2 4.01Å; L205-F209 HydrophobicContact CD2-CE2 4.39Å; L205-F209 CarbonylContact O-C 3.52Å; L205-F209 WeakPolarHBondContact O-CA 3.39Å; L205-F209 WeakPolarHBondContact O-CB 3.41Å; L205-F209 PolarHBondContact O-N 3.22Å; L205-D210 PolarHBondContact O-N 3.24Å; L205-L211 HydrophobicContact CB-CB 4.34Å; L205-L211 HydrophobicContact CB-CD1 4.4Å; L205-V216 HydrophobicContact CD1-CG1 4.15Å; L205-V216 HydrophobicContact CD1-CG2 4.06Å
206Q94.2Very high90.4Very high99 Ų9958 Ų5846%0.46332%0.322SS..Hα-helixtrans-65.5-50175.7-174.2176.913.100111Q202 A203 N208 D210 L211Q202-Q206 WeakPolarHBondContact O-CB 3.37Å; Q202-Q206 PolarHBondContact O-N 3.25Å; A203-Q206 PolarHBondContact O-N 3.06Å; Q206-N208 PolarHBondContact O-N 3.33Å; Q206-D210 WeakPolarHBondContact O-CA 3.46Å; Q206-D210 PolarHBondContact O-N 3.36Å; Q206-D210 VanDerWaalsContact O-N 3.07Å; Q206-L211 VanDerWaalsContact CA-O 3.3Å; Q206-L211 WeakPolarHBondContact CA-O 3.21Å; Q206-L211 WeakPolarHBondContact CB-O 3.45Å
207Q94.3Very high91Very high141 Ų14153 Ų5366%0.65930%0.304SS*.Hα-helixtrans-63.6-39.4-177.2-179.4176.9-13.700112.6A203A203-Q207 VanDerWaalsContact O-CB 3.23Å; A203-Q207 WeakPolarHBondContact O-CB 3.36Å; A203-Q207 PolarHBondContact O-N 3.16Å
208N95.3Very high91.7Very high53 Ų5349.7 Ų49.728%0.28329%0.29SS..Hα-helixtrans-101.3-19.7-171.2-61.6-67.7000114.1F204 Q206 L261F204-N208 WeakPolarHBondContact CD2-ND2 3.27Å; F204-N208 WeakPolarHBondContact CE2-ND2 3.45Å; F204-N208 WeakPolarHBondContact O-CB 3.49Å; F204-N208 PolarHBondContact O-N 2.97Å; F204-N208 VanDerWaalsContact O-N 3.12Å; F204-N208 PolarHBondContact O-ND2 3.38Å; Q206-N208 PolarHBondContact O-N 3.33Å; N208-L261 HydrophobicContact CB-CD1 3.99Å
209F94.8Very high92.3Very high38 Ų3853.3 Ų53.317%0.16731%0.306CS..Hα-helixtrans-134.35-174.2-57.7-81.2000114.8V181 L186 F204 L205 L211 T258V181-F209 HydrophobicContact CB-CE1 4.1Å; V181-F209 HydrophobicContact CB-CZ 4.01Å; V181-F209 HydrophobicContact CG1-CD1 4.36Å; V181-F209 HydrophobicContact CG1-CE1 3.66Å; V181-F209 HydrophobicContact CG1-CE2 4.06Å; V181-F209 HydrophobicContact CG1-CZ 3.49Å; V181-F209 VanDerWaalsContact CG1-CZ 3.49Å; L186-F209 HydrophobicContact CD1-CB 3.96Å; L186-F209 HydrophobicContact CD1-CD1 4.02Å; L186-F209 HydrophobicContact CD1-CD2 3.79Å; L186-F209 HydrophobicContact CD1-CE1 4.49Å; L186-F209 HydrophobicContact CD1-CE2 4.3Å; L186-F209 HydrophobicContact CD1-CG 3.64Å; F204-F209 HydrophobicContact CE1-CE2 4.15Å; L205-F209 HydrophobicContact CD2-CD2 4.01Å; L205-F209 HydrophobicContact CD2-CE2 4.39Å; L205-F209 CarbonylContact O-C 3.52Å; L205-F209 WeakPolarHBondContact O-CA 3.39Å; L205-F209 WeakPolarHBondContact O-CB 3.41Å; L205-F209 PolarHBondContact O-N 3.22Å; F209-L211 VanDerWaalsContact C-N 3.26Å; F209-L211 HydrophobicContact CB-CD1 4.36Å; F209-L211 HydrophobicContact CB-CG 4.43Å; F209-L211 PolarHBondContact O-N 2.81Å; F209-T258 HydrophobicContact CE2-CG2 4.13Å; F209-T258 HydrophobicContact CZ-CG2 3.7Å
210D93.8Very high92.8Very high127 Ų12752.4 Ų52.468%0.67930%0.301SS*.  trans52.344.6179.7-164.337.2000112.6R183 L205 Q206R183-D210 PolarHBondContact NE-O 2.68Å; R183-D210 VanDerWaalsContact NE-O 3.15Å; L205-D210 PolarHBondContact O-N 3.24Å; Q206-D210 WeakPolarHBondContact O-CA 3.46Å; Q206-D210 PolarHBondContact O-N 3.36Å; Q206-D210 VanDerWaalsContact O-N 3.07Å
211L93.5Very high93Very high4 Ų453.5 Ų53.52%0.02131%0.309CS..PPolyproline II helixtrans-99.2125.6174.1-78.7173.2000110.3R183 L186 L187 L205 Q206 F209 V216R183-L211 HydrophobicContact CG-CD2 3.47Å; R183-L211 VanDerWaalsContact CG-CD2 3.47Å; R183-L211 HydrophobicContact CG-CG 3.9Å; L186-L211 HydrophobicContact CB-CD1 3.55Å; L186-L211 HydrophobicContact CD1-CD1 3.64Å; L186-L211 HydrophobicContact CG-CD1 4.22Å; L187-L211 HydrophobicContact CD2-CD2 3.75Å; L187-L211 HydrophobicContact CG-CD2 4.13Å; L205-L211 HydrophobicContact CB-CB 4.34Å; L205-L211 HydrophobicContact CB-CD1 4.4Å; Q206-L211 VanDerWaalsContact CA-O 3.3Å; Q206-L211 WeakPolarHBondContact CA-O 3.21Å; Q206-L211 WeakPolarHBondContact CB-O 3.45Å; F209-L211 VanDerWaalsContact C-N 3.26Å; F209-L211 HydrophobicContact CB-CD1 4.36Å; F209-L211 HydrophobicContact CB-CG 4.43Å; F209-L211 PolarHBondContact O-N 2.81Å; L211-V216 HydrophobicContact CD1-CG1 4.17Å
212P91.7Very high93.1Very high71 Ų7158.5 Ų58.546%0.46134%0.335SS..PPolyproline II helixtrans-69.3150.8175.427.4-31.1000110.8G214 S215P212-G214 PolarHBondContact O-N 2.89Å; P212-S215 VanDerWaalsContact O-CB 3.24Å; P212-S215 WeakPolarHBondContact O-CB 3.27Å; P212-S215 PolarHBondContact O-N 2.93Å; P212-S215 PolarHBondContact O-OG 2.85Å
213P89.4Confident93.2Very high74 Ų7457.5 Ų57.548%0.48134%0.335SS..THydrogen-bonded Turntrans-48.3138.3171.9-31.637.8000113S215P213-S215 VanDerWaalsContact C-N 3.29Å; P213-S215 PolarHBondContact O-N 2.99Å
214G89.9Confident93.2Very high63 Ų6356.4 Ų56.465%0.64933%0.325SS*.THydrogen-bonded Turntrans75.96.8178.700000115.9P212P212-G214 PolarHBondContact O-N 2.89Å
215S91.7Very high93.2Very high36 Ų3660.8 Ų60.825%0.25235%0.346SS..  trans-78.3-14.9179.857.40000115.1L187 P212 P213L187-S215 VanDerWaalsContact CD2-O 3.26Å; L187-S215 WeakPolarHBondContact CD2-O 3.46Å; P212-S215 VanDerWaalsContact O-CB 3.24Å; P212-S215 WeakPolarHBondContact O-CB 3.27Å; P212-S215 PolarHBondContact O-N 2.93Å; P212-S215 PolarHBondContact O-OG 2.85Å; P213-S215 VanDerWaalsContact C-N 3.29Å; P213-S215 PolarHBondContact O-N 2.99Å
216V93Very high93.2Very high13 Ų1362 Ų628%0.07936%0.356CS..SBendtrans-111.2147.5-176.5-59.70000111.3L186 V191 L205 L211 C218L186-V216 HydrophobicContact CB-CG1 4.35Å; L186-V216 VanDerWaalsContact O-CG1 3.29Å; L186-V216 WeakPolarHBondContact O-CG1 3.19Å; V191-V216 HydrophobicContact CG1-CG2 4.24Å; V191-V216 HydrophobicContact CG2-CG2 3.54Å; L205-V216 HydrophobicContact CD1-CG1 4.15Å; L205-V216 HydrophobicContact CD1-CG2 4.06Å; L211-V216 HydrophobicContact CD1-CG1 4.17Å; V216-C218 PolarHBondContact O-N 3.19Å
217P93.7Very high93.3Very high61 Ų6157.8 Ų57.840%0.39634%0.336SS..  trans-60.7125.7172.7-17.729.8000110.2P190 V191P190-P217 WeakPolarHBondContact CA-O 3.33Å; V191-P217 WeakPolarHBondContact CG2-O 3.4Å; V191-P217 PolarHBondContact N-O 3.33Å
218C94.7Very high93.4Very high52 Ų5251.4 Ų51.435%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-130.8126.2-171.7-177.60000111.3V191 A193 V216V191-C218 HydrophobicContact CG2-CB 3.88Å; V191-C218 WeakPolarHBondContact O-CA 3.41Å; A193-C218 VanDerWaalsContact CB-SG 3.58Å; V216-C218 PolarHBondContact O-N 3.19Å
219H94.6Very high93.4Very high96 Ų9653.1 Ų53.144%0.44431%0.313SS..EExtended strand (participates in β ladder)trans-87.6144.3166.8-63.7-66.2000110.2V191 V192 A193 V221V191-H219 PolarHBondContact O-N 2.77Å; V192-H219 CarbonylContact C-O 3.55Å; V192-H219 WeakPolarHBondContact CA-O 3.5Å; V192-H219 HydrophobicContact CG1-CB 4.41Å; V192-H219 HydrophobicContact CG2-CB 4.4Å; A193-H219 PolarHBondContact N-O 2.57Å; H219-V221 HydrophobicContact CB-CG2 4.44Å
220I94.1Very high93.5Very high64 Ų6453 Ų5333%0.32832%0.315SS..EExtended strand (participates in β ladder)trans-108.3119.5176.2-53.7-59.6000108.9A193A193-I220 HydrophobicContact CB-CD1 3.97Å; A193-I220 WeakPolarHBondContact O-CA 3.32Å
221V92.6Very high93.7Very high36 Ų3647 Ų4722%0.21828%0.282CS..  trans-141.9109.4-173.6-176.90000111V192 A193 F194 H219 S223 A226 F227 L230V192-V221 HydrophobicContact CG1-CB 3.86Å; V192-V221 HydrophobicContact CG1-CG2 3.77Å; A193-V221 PolarHBondContact O-N 3.44Å; F194-V221 WeakPolarHBondContact CA-O 3.33Å; F194-V221 CarbonylContact O-C 3.58Å; F194-V221 VanDerWaalsContact O-C 3.29Å; H219-V221 HydrophobicContact CB-CG2 4.44Å; V221-S223 PolarHBondContact O-N 2.76Å; V221-A226 HydrophobicContact CG1-CB 3.64Å; V221-F227 HydrophobicContact CB-CD2 4.42Å; V221-F227 HydrophobicContact CB-CE2 4.04Å; V221-F227 VanDerWaalsContact O-CE2 3.26Å; V221-F227 WeakPolarHBondContact O-CE2 3.36Å; V221-L230 HydrophobicContact CG1-CD1 4.45Å; V221-L230 HydrophobicContact CG2-CD1 3.82Å
222N90.3Very high93.8Very high110 Ų11050.6 Ų50.659%0.58830%0.296SS*.SBendtrans-8347.7-175.6-57.262000113.2F194F194-N222 HydrophobicContact CE1-CB 4.28Å; F194-N222 HydrophobicContact CZ-CB 4.23Å; F194-N222 WeakPolarHBondContact O-CA 3.37Å; F194-N222 PolarHBondContact O-N 3.44Å; F194-N222 PolarHBondContact O-ND2 3.14Å; F194-N222 PolarHBondContact O-OD1 2.83Å
223S92.7Very high94Very high39 Ų3953.4 Ų53.427%0.27330%0.303SS..  trans-150.6124.6174.6164.90000111V221 E225 A226 F227V221-S223 PolarHBondContact O-N 2.76Å; S223-E225 PolarHBondContact OG-OE2 3.22Å; S223-A226 PolarHBondContact O-N 3.38Å; S223-A226 PolarHBondContact OG-N 3.41Å; S223-A226 VanDerWaalsContact OG-N 3.16Å; S223-F227 VanDerWaalsContact O-CD2 3.26Å; S223-F227 WeakPolarHBondContact O-CD2 3.46Å; S223-F227 PolarHBondContact O-N 2.63Å
224S93Very high94.2Very high3 Ų350.9 Ų50.92%0.02129%0.29CS..Hα-helixtrans-64-42.3177.4177.20000111.2D100 A226 F227 Q244D100-S224 VanDerWaalsContact OD1-CB 3.26Å; D100-S224 WeakPolarHBondContact OD1-CB 3.36Å; D100-S224 PolarHBondContact OD1-OG 3.07Å; S224-A226 VanDerWaalsContact C-N 3.3Å; S224-A226 PolarHBondContact O-N 2.92Å; S224-F227 WeakPolarHBondContact O-CB 3.25Å; S224-F227 PolarHBondContact O-N 2.71Å; S224-Q244 PolarHBondContact O-NE2 2.97Å; S224-Q244 PolarHBondContact OG-NE2 3.14Å; S224-Q244 VanDerWaalsContact OG-NE2 3.12Å; S224-Q244 PolarHBondContact OG-OE1 3.26Å; S224-Q244 VanDerWaalsContact OG-OE1 3.07Å
225E95.1Very high94.3Very high93 Ų9351 Ų5144%0.43528%0.279SS..Hα-helixtrans-65.9-33.5178.1-56.687.3163.300112.3A103 S223 F227 V228 Q229A103-E225 HydrophobicContact CB-CG 4.13Å; A103-E225 WeakPolarHBondContact CB-OE1 3.18Å; S223-E225 PolarHBondContact OG-OE2 3.22Å; E225-F227 VanDerWaalsContact C-N 3.29Å; E225-F227 PolarHBondContact O-N 3.1Å; E225-V228 PolarHBondContact O-N 2.67Å; E225-Q229 PolarHBondContact O-N 2.9Å
226A95.6Very high94.5Very high28 Ų2849.3 Ų49.323%0.23127%0.267CS..Hα-helixtrans-67-29.1176.500000112.5V221 S223 S224 V228 Q229 L230V221-A226 HydrophobicContact CG1-CB 3.64Å; S223-A226 PolarHBondContact O-N 3.38Å; S223-A226 PolarHBondContact OG-N 3.41Å; S223-A226 VanDerWaalsContact OG-N 3.16Å; S224-A226 VanDerWaalsContact C-N 3.3Å; S224-A226 PolarHBondContact O-N 2.92Å; A226-V228 VanDerWaalsContact C-N 3.34Å; A226-Q229 PolarHBondContact O-N 3.18Å; A226-L230 WeakPolarHBondContact O-CB 3.26Å; A226-L230 WeakPolarHBondContact O-CG 3.33Å; A226-L230 PolarHBondContact O-N 3.04Å
227F95.1Very high94.7Very high11 Ų1148.7 Ų48.75%0.04826%0.263CS..Hα-helixtrans-61-46.1173.5-82.3-142.2000110.9V192 A193 F194 V221 S223 S224 E225 Q229 L230 A231 C238 I240V192-F227 HydrophobicContact CB-CD1 4.45Å; V192-F227 HydrophobicContact CB-CD2 4.47Å; V192-F227 HydrophobicContact CB-CE1 4.18Å; V192-F227 HydrophobicContact CB-CE2 4.2Å; V192-F227 HydrophobicContact CB-CZ 4.06Å; V192-F227 HydrophobicContact CG1-CD2 3.75Å; V192-F227 HydrophobicContact CG1-CE1 4.17Å; V192-F227 HydrophobicContact CG1-CE2 3.32Å; V192-F227 HydrophobicContact CG1-CG 4.33Å; V192-F227 HydrophobicContact CG1-CZ 3.57Å; A193-F227 VanDerWaalsContact C-CZ 3.43Å; F194-F227 HydrophobicContact CB-CZ 4.21Å; V221-F227 HydrophobicContact CB-CD2 4.42Å; V221-F227 HydrophobicContact CB-CE2 4.04Å; V221-F227 VanDerWaalsContact O-CE2 3.26Å; V221-F227 WeakPolarHBondContact O-CE2 3.36Å; S223-F227 VanDerWaalsContact O-CD2 3.26Å; S223-F227 WeakPolarHBondContact O-CD2 3.46Å; S223-F227 PolarHBondContact O-N 2.63Å; S224-F227 WeakPolarHBondContact O-CB 3.25Å; S224-F227 PolarHBondContact O-N 2.71Å; E225-F227 VanDerWaalsContact C-N 3.29Å; E225-F227 PolarHBondContact O-N 3.1Å; F227-Q229 VanDerWaalsContact C-N 3.28Å; F227-Q229 PolarHBondContact O-N 3Å; F227-L230 PolarHBondContact O-N 2.98Å; F227-A231 WeakPolarHBondContact O-CB 3.41Å; F227-A231 PolarHBondContact O-N 2.99Å; F227-C238 HydrophobicContact CB-CB 4.5Å; F227-C238 HydrophobicContact CD1-CB 4.09Å; F227-I240 HydrophobicContact CB-CD1 4.04Å; F227-I240 HydrophobicContact CB-CG1 4.15Å; F227-I240 HydrophobicContact CD1-CG1 4.44Å
228V96.4Very high94.8Very high8 Ų845.9 Ų45.95%0.04824%0.244CC..Hα-helixtrans-58-45.4177.3-176.90000110E225 A226 A231 R232 I240 Q244 I245E225-V228 PolarHBondContact O-N 2.67Å; A226-V228 VanDerWaalsContact C-N 3.34Å; V228-A231 PolarHBondContact O-N 2.95Å; V228-R232 HydrophobicContact CG1-CG 4.4Å; V228-R232 WeakPolarHBondContact O-CB 3.39Å; V228-R232 WeakPolarHBondContact O-CD 3.2Å; V228-R232 WeakPolarHBondContact O-CG 3.4Å; V228-R232 PolarHBondContact O-N 3.02Å; V228-I240 HydrophobicContact CG2-CD1 4.18Å; V228-I240 HydrophobicContact CG2-CG2 4.02Å; V228-Q244 HydrophobicContact CG2-CG 3.91Å; V228-I245 HydrophobicContact CG1-CG2 4.1Å; V228-I245 HydrophobicContact CG2-CG2 3.88Å
229Q96.6Very high94.9Very high88 Ų8843.6 Ų43.641%0.41123%0.229SC..Hα-helixtrans-64.9-41.4178.3-64-55.7-48.800113E225 A226 F227 R232 Q233E225-Q229 PolarHBondContact O-N 2.9Å; A226-Q229 PolarHBondContact O-N 3.18Å; F227-Q229 VanDerWaalsContact C-N 3.28Å; F227-Q229 PolarHBondContact O-N 3Å; Q229-R232 PolarHBondContact O-N 2.63Å; Q229-Q233 WeakPolarHBondContact O-CB 3.44Å; Q229-Q233 VanDerWaalsContact O-CG 3.24Å; Q229-Q233 WeakPolarHBondContact O-CG 3.23Å; Q229-Q233 PolarHBondContact O-N 2.81Å
230L96.3Very high95Very high37 Ų3739 Ų3919%0.19421%0.207CC..Hα-helixtrans-66.2-40.1177.7-76168.8000112.4V192 V221 A226 F227 T235 T236V192-L230 HydrophobicContact CG1-CD1 4.24Å; V192-L230 HydrophobicContact CG2-CD1 4.04Å; V221-L230 HydrophobicContact CG1-CD1 4.45Å; V221-L230 HydrophobicContact CG2-CD1 3.82Å; A226-L230 WeakPolarHBondContact O-CB 3.26Å; A226-L230 WeakPolarHBondContact O-CG 3.33Å; A226-L230 PolarHBondContact O-N 3.04Å; F227-L230 PolarHBondContact O-N 2.98Å; L230-T235 PolarHBondContact O-OG1 3.2Å; L230-T236 PolarHBondContact O-OG1 3.46Å
231A96.9Very high95.1Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-62.9-44.2174.200000110.8S169 F227 V228 G234 C238 I240 L254S169-A231 VanDerWaalsContact CB-O 3.31Å; S169-A231 WeakPolarHBondContact CB-O 3.45Å; S169-A231 PolarHBondContact N-O 3.38Å; S169-A231 VanDerWaalsContact N-O 3.11Å; F227-A231 WeakPolarHBondContact O-CB 3.41Å; F227-A231 PolarHBondContact O-N 2.99Å; V228-A231 PolarHBondContact O-N 2.95Å; A231-G234 PolarHBondContact O-N 2.9Å; A231-G234 VanDerWaalsContact O-N 3.16Å; A231-C238 HydrophobicContact CB-CB 4.48Å; A231-I240 HydrophobicContact CB-CD1 4.1Å; A231-L254 HydrophobicContact CB-CD1 4.33Å; A231-L254 HydrophobicContact CB-CD2 3.67Å
232R96.6Very high95.3Very high79 Ų7937.1 Ų37.130%0.29820%0.195SC..Hα-helixtrans-66-39.9179.7-71.6169.464.4163.36.6113V228 Q229 G234 E248 E253 L254V228-R232 HydrophobicContact CG1-CG 4.4Å; V228-R232 WeakPolarHBondContact O-CB 3.39Å; V228-R232 WeakPolarHBondContact O-CD 3.2Å; V228-R232 WeakPolarHBondContact O-CG 3.4Å; V228-R232 PolarHBondContact O-N 3.02Å; Q229-R232 PolarHBondContact O-N 2.63Å; R232-G234 PolarHBondContact O-N 3.2Å; R232-G234 VanDerWaalsContact O-N 3.1Å; R232-E248 HydrophobicContact CG-CG 4.35Å; R232-E248 IonicContact NH1-OE1 2.69Å; R232-E248 PolarHBondContact NH1-OE1 2.78Å; R232-E253 HydrophobicContact CG-CG 4.18Å; R232-E253 IonicContact CZ-OE1 3.73Å; R232-E253 IonicContact CZ-OE2 3.06Å; R232-E253 IonicContact NE-OE1 2.81Å; R232-E253 PolarHBondContact NE-OE1 3.07Å; R232-E253 IonicContact NE-OE2 3.38Å; R232-E253 PolarHBondContact NE-OE2 3.12Å; R232-E253 VanDerWaalsContact NH2-CD 3.35Å; R232-E253 IonicContact NH2-OE1 2.78Å; R232-E253 PolarHBondContact NH2-OE1 2.84Å; R232-E253 IonicContact NH2-OE2 3.12Å; R232-E253 PolarHBondContact NH2-OE2 2.76Å; R232-E253 VanDerWaalsContact NH2-OE2 3.12Å; R232-L254 HydrophobicContact CG-CD1 4.27Å; R232-L254 HydrophobicContact CG-CD2 3.96Å; R232-L254 HydrophobicContact CG-CG 4.09Å
233Q94.9Very high95.6Very high130 Ų13034 Ų3461%0.60718%0.178SC*.THydrogen-bonded Turntrans-63.7-13.3175.4-74.5174.217.400113.2Q229 T235Q229-Q233 WeakPolarHBondContact O-CB 3.44Å; Q229-Q233 VanDerWaalsContact O-CG 3.24Å; Q229-Q233 WeakPolarHBondContact O-CG 3.23Å; Q229-Q233 PolarHBondContact O-N 2.81Å; Q233-T235 VanDerWaalsContact C-N 3.34Å; Q233-T235 HydrophobicContact CB-CG2 4.38Å
234G93.5Very high95.7Very high21 Ų2133.6 Ų33.622%0.21617%0.172CC..THydrogen-bonded Turntrans70.131.1177.700000113.9S169 F172 A231 R232S169-G234 WeakPolarHBondContact OG-CA 3.46Å; F172-G234 WeakPolarHBondContact CD2-O 3.38Å; A231-G234 PolarHBondContact O-N 2.9Å; A231-G234 VanDerWaalsContact O-N 3.16Å; R232-G234 PolarHBondContact O-N 3.2Å; R232-G234 VanDerWaalsContact O-N 3.1Å
235T92.3Very high96Very high67 Ų6733.4 Ų33.441%0.41117%0.171SC..SBendtrans-102.5-17.6176.753.70000112.6F172 L230 Q233F172-T235 VanDerWaalsContact CE2-C 3.4Å; F172-T235 VanDerWaalsContact CE2-O 3.25Å; F172-T235 WeakPolarHBondContact CE2-O 3.48Å; L230-T235 PolarHBondContact O-OG1 3.2Å; Q233-T235 VanDerWaalsContact C-N 3.34Å; Q233-T235 HydrophobicContact CB-CG2 4.38Å
236T96.5Very high96Very high0 Ų033.8 Ų33.80%017%0.172CC..  trans-148.1166-173.665.40000112.2P190 V192 L230 C238P190-T236 HydrophobicContact CB-CG2 4.28Å; P190-T236 WeakPolarHBondContact O-CA 3.01Å; V192-T236 HydrophobicContact CG2-CG2 3.74Å; L230-T236 PolarHBondContact O-OG1 3.46Å; T236-C238 PolarHBondContact OG1-SG 3.39Å
237C96.6Very high96.1Very high0 Ų040.9 Ų40.90%020%0.198CC..BIsolated β-bridgetrans-112.2145160.750.20000109.7F166 V167 F172 P190 V191 V192 L257F166-C237 HydrophobicContact CE1-CB 4.49Å; F166-C237 HydrophobicContact CE2-CB 3.82Å; F166-C237 HydrophobicContact CZ-CB 3.75Å; F166-C237 WeakPolarHBondContact CZ-SG 3.29Å; V167-C237 CarbonylContact O-C 3.54Å; V167-C237 VanDerWaalsContact O-CA 3.27Å; V167-C237 WeakPolarHBondContact O-CA 3.49Å; F172-C237 HydrophobicContact CD1-CB 4.28Å; F172-C237 HydrophobicContact CE1-CB 3.67Å; F172-C237 HydrophobicContact CZ-CB 4.38Å; P190-C237 PolarHBondContact O-N 3.37Å; P190-C237 PolarHBondContact O-SG 3.33Å; P190-C237 VanDerWaalsContact O-SG 3.33Å; V191-C237 VanDerWaalsContact CA-O 3.26Å; V191-C237 WeakPolarHBondContact CA-O 3.4Å; V192-C237 PolarHBondContact N-O 3.16Å; C237-L257 HydrophobicContact CB-CD1 3.62Å
238C96.4Very high96.2Very high1 Ų141.7 Ų41.71%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-137.2149.7-168.9-64.80000111.1F166 V167 V192 F227 A231 T236 I240F166-C238 WeakPolarHBondContact CA-O 3.32Å; V167-C238 PolarHBondContact N-O 3.18Å; V167-C238 PolarHBondContact O-N 3.15Å; V192-C238 WeakPolarHBondContact CG2-SG 3.48Å; F227-C238 HydrophobicContact CB-CB 4.5Å; F227-C238 HydrophobicContact CD1-CB 4.09Å; A231-C238 HydrophobicContact CB-CB 4.48Å; T236-C238 PolarHBondContact OG1-SG 3.39Å; C238-I240 HydrophobicContact CB-CD1 3.72Å; C238-I240 HydrophobicContact CB-CG1 3.57Å
239M96.1Very high96.2Very high4 Ų443.3 Ų43.32%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-87.4115.2161.2-68.7-60.5-67.800107.9L165 F166 M200 H201 F204 Q263L165-M239 WeakPolarHBondContact O-CA 3.44Å; F166-M239 HydrophobicContact CB-SD 3.6Å; F166-M239 HydrophobicContact CD2-CG 4.29Å; F166-M239 HydrophobicContact CD2-SD 3.69Å; F166-M239 HydrophobicContact CG-SD 4.03Å; M200-M239 HydrophobicContact CE-CB 3.78Å; M200-M239 HydrophobicContact CG-CB 4.3Å; M200-M239 HydrophobicContact CG-CG 4.48Å; M200-M239 HydrophobicContact SD-CB 4.3Å; H201-M239 HydrophobicContact CB-CG 3.95Å; F204-M239 HydrophobicContact CB-CE 4.06Å; F204-M239 HydrophobicContact CB-SD 4.22Å; F204-M239 HydrophobicContact CD1-CE 4.3Å; F204-M239 HydrophobicContact CD1-SD 3.75Å; F204-M239 HydrophobicContact CD2-CE 3.74Å; F204-M239 HydrophobicContact CD2-SD 4.28Å; F204-M239 HydrophobicContact CE1-SD 4.18Å; F204-M239 HydrophobicContact CE2-CE 4.27Å; F204-M239 HydrophobicContact CG-CE 3.76Å; F204-M239 HydrophobicContact CG-SD 3.81Å; M239-Q263 HydrophobicContact CE-CB 3.8Å
240I96.4Very high96.3Very high0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-131.2139.5-175.3-54-176.8000109.6Y164 L165 V167 F227 V228 A231 C238 H242 Q244 I245Y164-I240 WeakPolarHBondContact CA-O 3.34Å; L165-I240 PolarHBondContact N-O 3.2Å; L165-I240 PolarHBondContact O-N 3.46Å; V167-I240 HydrophobicContact CG2-CB 4.28Å; V167-I240 HydrophobicContact CG2-CD1 3.76Å; V167-I240 HydrophobicContact CG2-CG1 4.01Å; F227-I240 HydrophobicContact CB-CD1 4.04Å; F227-I240 HydrophobicContact CB-CG1 4.15Å; F227-I240 HydrophobicContact CD1-CG1 4.44Å; V228-I240 HydrophobicContact CG2-CD1 4.18Å; V228-I240 HydrophobicContact CG2-CG2 4.02Å; A231-I240 HydrophobicContact CB-CD1 4.1Å; C238-I240 HydrophobicContact CB-CD1 3.72Å; C238-I240 HydrophobicContact CB-CG1 3.57Å; I240-H242 PolarHBondContact O-N 3.3Å; I240-Q244 HydrophobicContact CG2-CB 4.22Å; I240-I245 HydrophobicContact CB-CD1 4.26Å; I240-I245 HydrophobicContact CB-CG2 4.37Å; I240-I245 HydrophobicContact CD1-CG2 4.35Å; I240-I245 HydrophobicContact CG2-CD1 4.44Å; I240-I245 HydrophobicContact CG2-CG1 4.44Å; I240-I245 HydrophobicContact CG2-CG2 3.6Å
241P96.4Very high96.3Very high1 Ų145.6 Ų45.61%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-54.8127.1172.5-18.626.1000111D100 L162 D163 Y164 L243 Q244D100-P241 HydrophobicContact CB-CG 3.71Å; L162-P241 HydrophobicContact CD2-CB 4.37Å; D163-P241 CarbonylContact O-C 3.6Å; D163-P241 WeakPolarHBondContact O-CA 3.26Å; Y164-P241 HydrophobicContact CD1-CB 4.49Å; Y164-P241 HydrophobicContact CD1-CG 3.92Å; Y164-P241 HydrophobicContact CE1-CB 4.36Å; Y164-P241 HydrophobicContact CE1-CG 3.47Å; Y164-P241 VanDerWaalsContact CE1-CG 3.47Å; P241-L243 PolarHBondContact O-N 3.22Å; P241-L243 VanDerWaalsContact O-N 3.14Å; P241-Q244 HydrophobicContact CB-CB 4.42Å; P241-Q244 WeakPolarHBondContact O-CB 3.38Å; P241-Q244 PolarHBondContact O-N 2.9Å
242H97Very high96.2Very high59 Ų5947.4 Ų47.427%0.27326%0.263SS..Hα-helixtrans-49.9-42.8177.5-179.777.2000111.7D163 L165 I240 Q244 I245 E246D163-H242 WeakPolarHBondContact O-CB 3.49Å; D163-H242 PolarHBondContact O-N 3.14Å; L165-H242 HydrophobicContact CD1-CB 4.15Å; L165-H242 WeakPolarHBondContact CD1-ND1 3.38Å; L165-H242 HydrophobicContact CG-CB 4.22Å; I240-H242 PolarHBondContact O-N 3.3Å; H242-Q244 PolarHBondContact O-N 3.06Å; H242-Q244 VanDerWaalsContact O-N 3.1Å; H242-I245 PolarHBondContact O-N 3.15Å; H242-E246 IonicContact CD2-OE1 3.46Å; H242-E246 VanDerWaalsContact O-CG 3.27Å; H242-E246 WeakPolarHBondContact O-CG 3.47Å; H242-E246 PolarHBondContact O-N 3.26Å
243L96.3Very high96.2Very high45 Ų4547.2 Ų47.224%0.23627%0.266CS..Hα-helixtrans-55.5-27.6178.8-173.562.7000113.5T104 W105 L162 P241 V293 L294T104-L243 HydrophobicContact CG2-CB 4.47Å; T104-L243 HydrophobicContact CG2-CD2 4.46Å; T104-L243 HydrophobicContact CG2-CG 4.35Å; W105-L243 HydrophobicContact CB-CD2 4.16Å; L162-L243 HydrophobicContact CD2-CB 4.41Å; L162-L243 HydrophobicContact CD2-CD2 4.15Å; P241-L243 PolarHBondContact O-N 3.22Å; P241-L243 VanDerWaalsContact O-N 3.14Å; L243-V293 HydrophobicContact CD1-CB 4.48Å; L243-V293 HydrophobicContact CD2-CG2 4.3Å; L243-L294 HydrophobicContact CD2-CD2 4.24Å
244Q96.8Very high96.3Very high30 Ų3041.1 Ų41.114%0.1424%0.237CC..Hα-helixtrans-84.2-22.3-179.1-162.5178.912.500113.2T104 S224 V228 I240 P241 H242T104-Q244 HydrophobicContact CG2-CB 3.64Å; T104-Q244 HydrophobicContact CG2-CG 3.97Å; S224-Q244 PolarHBondContact O-NE2 2.97Å; S224-Q244 PolarHBondContact OG-NE2 3.14Å; S224-Q244 VanDerWaalsContact OG-NE2 3.12Å; S224-Q244 PolarHBondContact OG-OE1 3.26Å; S224-Q244 VanDerWaalsContact OG-OE1 3.07Å; V228-Q244 HydrophobicContact CG2-CG 3.91Å; I240-Q244 HydrophobicContact CG2-CB 4.22Å; P241-Q244 HydrophobicContact CB-CB 4.42Å; P241-Q244 WeakPolarHBondContact O-CB 3.38Å; P241-Q244 PolarHBondContact O-N 2.9Å; H242-Q244 PolarHBondContact O-N 3.06Å; H242-Q244 VanDerWaalsContact O-N 3.1Å
245I97.3Very high96.5Very high0 Ų042.9 Ų42.90%024%0.241CC..Hα-helixtrans-122.514.8-169.456.9166.8000113.5V167 V228 I240 H242 K247 E248 L249 L254V167-I245 HydrophobicContact CB-CD1 4.28Å; V167-I245 HydrophobicContact CG1-CD1 3.6Å; V167-I245 HydrophobicContact CG2-CD1 3.89Å; V228-I245 HydrophobicContact CG1-CG2 4.1Å; V228-I245 HydrophobicContact CG2-CG2 3.88Å; I240-I245 HydrophobicContact CB-CD1 4.26Å; I240-I245 HydrophobicContact CB-CG2 4.37Å; I240-I245 HydrophobicContact CD1-CG2 4.35Å; I240-I245 HydrophobicContact CG2-CD1 4.44Å; I240-I245 HydrophobicContact CG2-CG1 4.44Å; I240-I245 HydrophobicContact CG2-CG2 3.6Å; H242-I245 PolarHBondContact O-N 3.15Å; I245-K247 PolarHBondContact O-N 3.17Å; I245-E248 HydrophobicContact CB-CB 4.44Å; I245-E248 PolarHBondContact O-N 3.24Å; I245-L249 HydrophobicContact CD1-CD1 3.87Å; I245-L249 HydrophobicContact CD1-CD2 4.41Å; I245-L249 HydrophobicContact CD1-CG 4.09Å; I245-L249 HydrophobicContact CG1-CD1 3.92Å; I245-L249 HydrophobicContact CG1-CG 4.24Å; I245-L249 WeakPolarHBondContact O-CB 3.26Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.29Å; I245-L254 HydrophobicContact CB-CD1 4.23Å; I245-L254 HydrophobicContact CG2-CD1 3.86Å
246E96.3Very high96.8Very high101 Ų10141.7 Ų41.747%0.47223%0.232SC..Hα-helixtrans-54.8-38.8-179.9-61.8-173.1151.500112H242 A250H242-E246 IonicContact CD2-OE1 3.46Å; H242-E246 VanDerWaalsContact O-CG 3.27Å; H242-E246 WeakPolarHBondContact O-CG 3.47Å; H242-E246 PolarHBondContact O-N 3.26Å; E246-A250 VanDerWaalsContact O-CB 3.27Å; E246-A250 WeakPolarHBondContact O-CB 3.26Å; E246-A250 PolarHBondContact O-N 2.92Å
247K96.6Very high96.8Very high176 Ų17642.7 Ų42.777%0.76524%0.237SC*.Hα-helixtrans-70.4-45.2179.4-68.1-179.8-178.1173.30111.9I245 L249 A250 S251I245-K247 PolarHBondContact O-N 3.17Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-A250 PolarHBondContact O-N 3.49Å; K247-S251 WeakPolarHBondContact O-CB 3.4Å; K247-S251 PolarHBondContact O-N 2.92Å; K247-S251 PolarHBondContact O-OG 3.45Å
248E97.6Very high96.8Very high28 Ų2843.1 Ų43.113%0.13124%0.24CC..Hα-helixtrans-65.3-36.4178.9-7476.4-17800112.1R232 I245 S251 G252 E253 L254R232-E248 HydrophobicContact CG-CG 4.35Å; R232-E248 IonicContact NH1-OE1 2.69Å; R232-E248 PolarHBondContact NH1-OE1 2.78Å; I245-E248 HydrophobicContact CB-CB 4.44Å; I245-E248 PolarHBondContact O-N 3.24Å; E248-S251 PolarHBondContact O-OG 2.85Å; E248-G252 PolarHBondContact O-N 3.5Å; E248-G252 VanDerWaalsContact O-N 3.17Å; E248-E253 HydrophobicContact CB-CB 4.48Å; E248-E253 PolarHBondContact O-N 3.42Å; E248-L254 HydrophobicContact CB-CB 3.98Å; E248-L254 HydrophobicContact CB-CD1 3.74Å; E248-L254 HydrophobicContact CB-CG 3.77Å; E248-L254 HydrophobicContact CG-CD1 4.08Å; E248-L254 HydrophobicContact CG-CG 4.27Å; E248-L254 PolarHBondContact O-N 3.05Å
249L97.6Very high96.7Very high42 Ų4248.2 Ų48.222%0.2227%0.273CS..Hα-helixtrans-68.3-44.2172.4-70172.4000111L165 V167 I245 K247 S251 G252 L254L165-L249 HydrophobicContact CD1-CD1 3.91Å; V167-L249 HydrophobicContact CG1-CD2 4.31Å; I245-L249 HydrophobicContact CD1-CD1 3.87Å; I245-L249 HydrophobicContact CD1-CD2 4.41Å; I245-L249 HydrophobicContact CD1-CG 4.09Å; I245-L249 HydrophobicContact CG1-CD1 3.92Å; I245-L249 HydrophobicContact CG1-CG 4.24Å; I245-L249 WeakPolarHBondContact O-CB 3.26Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.29Å; K247-L249 VanDerWaalsContact C-N 3.33Å; L249-S251 VanDerWaalsContact C-N 3.34Å; L249-S251 PolarHBondContact O-N 3.01Å; L249-G252 PolarHBondContact O-N 3.35Å; L249-L254 HydrophobicContact CD2-CB 4.41Å
250A97.1Very high96.6Very high89 Ų8951.3 Ų51.374%0.73631%0.306SS*.Hα-helixtrans-66.2-34.2179.100000113.1E246 K247 G252E246-A250 VanDerWaalsContact O-CB 3.27Å; E246-A250 WeakPolarHBondContact O-CB 3.26Å; E246-A250 PolarHBondContact O-N 2.92Å; K247-A250 PolarHBondContact O-N 3.49Å; A250-G252 VanDerWaalsContact C-N 3.33Å
251S96.8Very high96.6Very high84 Ų8454.3 Ų54.359%0.58732%0.321SS*.Hα-helixtrans-80-15175.969.80000113.4K247 E248 L249 E253K247-S251 WeakPolarHBondContact O-CB 3.4Å; K247-S251 PolarHBondContact O-N 2.92Å; K247-S251 PolarHBondContact O-OG 3.45Å; E248-S251 PolarHBondContact O-OG 2.85Å; L249-S251 VanDerWaalsContact C-N 3.34Å; L249-S251 PolarHBondContact O-N 3.01Å; S251-E253 VanDerWaalsContact C-N 3.26Å; S251-E253 WeakPolarHBondContact OG-CB 3.26Å; S251-E253 PolarHBondContact OG-N 3.11Å
252G95.7Very high96.5Very high39 Ų3958.7 Ų58.740%0.40234%0.341SS..THydrogen-bonded Turntrans74.512.8-172.900000114.1E248 L249 A250 L254E248-G252 PolarHBondContact O-N 3.5Å; E248-G252 VanDerWaalsContact O-N 3.17Å; L249-G252 PolarHBondContact O-N 3.35Å; A250-G252 VanDerWaalsContact C-N 3.33Å; G252-L254 VanDerWaalsContact C-N 3.31Å
253E95.8Very high96.4Very high75 Ų7557.3 Ų57.335%0.3533%0.334SS..SBendtrans-66.3-38.1172.7-174.2173.7-171.800111S169 R232 E248 S251S169-E253 WeakPolarHBondContact CA-O 3.44Å; R232-E253 HydrophobicContact CG-CG 4.18Å; R232-E253 IonicContact CZ-OE1 3.73Å; R232-E253 IonicContact CZ-OE2 3.06Å; R232-E253 IonicContact NE-OE1 2.81Å; R232-E253 PolarHBondContact NE-OE1 3.07Å; R232-E253 IonicContact NE-OE2 3.38Å; R232-E253 PolarHBondContact NE-OE2 3.12Å; R232-E253 VanDerWaalsContact NH2-CD 3.35Å; R232-E253 IonicContact NH2-OE1 2.78Å; R232-E253 PolarHBondContact NH2-OE1 2.84Å; R232-E253 IonicContact NH2-OE2 3.12Å; R232-E253 PolarHBondContact NH2-OE2 2.76Å; R232-E253 VanDerWaalsContact NH2-OE2 3.12Å; E248-E253 HydrophobicContact CB-CB 4.48Å; E248-E253 PolarHBondContact O-N 3.42Å; S251-E253 VanDerWaalsContact C-N 3.26Å; S251-E253 WeakPolarHBondContact OG-CB 3.26Å; S251-E253 PolarHBondContact OG-N 3.11Å
254L97.9Very high96.3Very high1 Ų159 Ų591%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-113.7149.7167.6-64.2-179.9000109.9V167 S168 A231 R232 I245 E248 L249 G252V167-L254 HydrophobicContact CG2-CD1 4.31Å; S168-L254 WeakPolarHBondContact O-CA 3.24Å; A231-L254 HydrophobicContact CB-CD1 4.33Å; A231-L254 HydrophobicContact CB-CD2 3.67Å; R232-L254 HydrophobicContact CG-CD1 4.27Å; R232-L254 HydrophobicContact CG-CD2 3.96Å; R232-L254 HydrophobicContact CG-CG 4.09Å; I245-L254 HydrophobicContact CB-CD1 4.23Å; I245-L254 HydrophobicContact CG2-CD1 3.86Å; E248-L254 HydrophobicContact CB-CB 3.98Å; E248-L254 HydrophobicContact CB-CD1 3.74Å; E248-L254 HydrophobicContact CB-CG 3.77Å; E248-L254 HydrophobicContact CG-CD1 4.08Å; E248-L254 HydrophobicContact CG-CG 4.27Å; E248-L254 PolarHBondContact O-N 3.05Å; L249-L254 HydrophobicContact CD2-CB 4.41Å; G252-L254 VanDerWaalsContact C-N 3.31Å
255I97.4Very high96.1Very high58 Ų5860.4 Ų60.430%0.29734%0.341SS..EExtended strand (participates in β ladder)trans-124.6146.917466.3171.5000109.9V167 S168 A173 L257V167-I255 VanDerWaalsContact CA-O 3.26Å; V167-I255 WeakPolarHBondContact CA-O 3.49Å; V167-I255 WeakPolarHBondContact CB-O 3.41Å; S168-I255 PolarHBondContact N-O 2.96Å; S168-I255 PolarHBondContact O-N 3.45Å; A173-I255 HydrophobicContact CB-CD1 3.56Å; A173-I255 HydrophobicContact CB-CG1 4.38Å; I255-L257 HydrophobicContact CD1-CD2 4.4Å; I255-L257 HydrophobicContact CG1-CD2 4.38Å; I255-L257 PolarHBondContact O-N 2.88Å
256D97.7Very high95.9Very high42 Ų4262.8 Ų62.823%0.22535%0.353CS..EExtended strand (participates in β ladder)trans-73.9116.4167.2-174.9-7.4000109T258 P259D256-T258 VanDerWaalsContact C-N 3.28Å; D256-T258 PolarHBondContact OD1-N 3.22Å; D256-P259 WeakPolarHBondContact OD2-CA 3.43Å
257L97.1Very high95.9Very high21 Ų2158 Ų5811%0.1133%0.331CS..SBendtrans-75.3-21.2-179.6-69.5175.4000112.2F166 S168 A173 F177 V181 C237 I255F166-L257 HydrophobicContact CD1-CB 3.82Å; F166-L257 HydrophobicContact CD1-CD1 3.83Å; F166-L257 HydrophobicContact CD1-CG 4.47Å; F166-L257 HydrophobicContact CE1-CB 4.33Å; F166-L257 HydrophobicContact CE1-CD1 3.7Å; F166-L257 HydrophobicContact CG-CD1 4.42Å; F166-L257 HydrophobicContact CZ-CD1 4.2Å; F166-L257 WeakPolarHBondContact O-CB 3.48Å; F166-L257 PolarHBondContact O-N 3.12Å; S168-L257 WeakPolarHBondContact OG-CD2 3.39Å; A173-L257 HydrophobicContact CB-CD2 3.71Å; F177-L257 HydrophobicContact CD2-CD1 4.07Å; F177-L257 HydrophobicContact CD2-CD2 3.77Å; F177-L257 HydrophobicContact CE2-CD1 3.73Å; F177-L257 HydrophobicContact CE2-CD2 4.3Å; V181-L257 HydrophobicContact CG2-CB 3.79Å; V181-L257 VanDerWaalsContact CG2-O 3.3Å; V181-L257 WeakPolarHBondContact CG2-O 3.28Å; C237-L257 HydrophobicContact CB-CD1 3.62Å; I255-L257 HydrophobicContact CD1-CD2 4.4Å; I255-L257 HydrophobicContact CG1-CD2 4.38Å; I255-L257 PolarHBondContact O-N 2.88Å
258T96.3Very high95.9Very high10 Ų1051.8 Ų51.86%0.06130%0.303CS..SBendtrans-136.166.4-175.553.70000111.5F166 V181 F204 F209 D256 G260 L261F166-T258 HydrophobicContact CD1-CG2 4.1Å; V181-T258 HydrophobicContact CB-CG2 4.17Å; V181-T258 HydrophobicContact CG1-CG2 4.4Å; V181-T258 HydrophobicContact CG2-CG2 3.99Å; F204-T258 HydrophobicContact CZ-CG2 4.38Å; F204-T258 WeakPolarHBondContact CZ-OG1 3.39Å; F209-T258 HydrophobicContact CE2-CG2 4.13Å; F209-T258 HydrophobicContact CZ-CG2 3.7Å; D256-T258 VanDerWaalsContact C-N 3.28Å; D256-T258 PolarHBondContact OD1-N 3.22Å; T258-G260 PolarHBondContact O-N 2.86Å; T258-L261 HydrophobicContact CG2-CD1 4.49Å; T258-L261 PolarHBondContact O-N 2.88Å
259P95.1Very high95.9Very high108 Ų10850.4 Ų50.470%0.70130%0.297SS*.THydrogen-bonded Turntrans-52.3126.6-177.5-27.335.7000112.9D256D256-P259 WeakPolarHBondContact OD2-CA 3.43Å
260G93.7Very high95.8Very high68 Ų6848.4 Ų48.470%0.70129%0.286SS*.THydrogen-bonded Turntrans91.7-9.6-178.800000114.9T258T258-G260 PolarHBondContact O-N 2.86Å
261L96.2Very high95.7Very high63 Ų6344.4 Ų44.433%0.3325%0.252SS..  trans-102.1134.6171.1-54.7-176.4000109.9F204 N208 T258F204-L261 HydrophobicContact CE2-CB 3.9Å; F204-L261 HydrophobicContact CZ-CB 3.93Å; N208-L261 HydrophobicContact CB-CD1 3.99Å; T258-L261 HydrophobicContact CG2-CD1 4.49Å; T258-L261 PolarHBondContact O-N 2.88Å
262F95.2Very high95.5Very high93 Ų9342 Ų4241%0.40823%0.231SC..  trans-151.3158.6176.960.3-86.2000110D163 Y164 L165 R264D163-F262 HydrophobicContact CB-CD2 4.29Å; Y164-F262 WeakPolarHBondContact O-CA 3.37Å; Y164-F262 WeakPolarHBondContact O-CB 3.47Å; L165-F262 HydrophobicContact CD2-CB 3.83Å; F262-R264 HydrophobicContact CD2-CB 4.22Å; F262-R264 HydrophobicContact CE2-CB 4.09Å
263Q93.8Very high95.2Very high31 Ų3141.8 Ų41.815%0.14523%0.226CC..EExtended strand (participates in β ladder)trans-108.7120.3170.4-173.167.3200109Y164 M200 F204 M239Y164-Q263 WeakPolarHBondContact CB-O 3.46Å; Y164-Q263 WeakPolarHBondContact CD2-O 3.4Å; Y164-Q263 PolarHBondContact N-O 3.5Å; Y164-Q263 PolarHBondContact O-N 2.89Å; M200-Q263 HydrophobicContact CG-CG 4.34Å; F204-Q263 HydrophobicContact CD2-CB 4.45Å; M239-Q263 HydrophobicContact CE-CB 3.8Å
264R93.7Very high94.8Very high80 Ų8043 Ų4330%0.30224%0.24SC..EExtended strand (participates in β ladder)trans-96.8131.9179.7-180166.1-72173.6-7.2111.4A161 L162 D163 F262 D297A161-R264 HydrophobicContact CB-CG 3.65Å; L162-R264 WeakPolarHBondContact O-CA 3.41Å; D163-R264 WeakPolarHBondContact OD1-CB 3.12Å; D163-R264 WeakPolarHBondContact OD1-CG 3.39Å; D163-R264 IonicContact OD1-CZ 2.68Å; D163-R264 IonicContact OD1-NE 3.27Å; D163-R264 PolarHBondContact OD1-NE 2.93Å; D163-R264 IonicContact OD1-NH2 3.59Å; D163-R264 PolarHBondContact OD1-NH2 3.2Å; D163-R264 IonicContact OD2-CZ 2.95Å; D163-R264 IonicContact OD2-NE 2.97Å; D163-R264 IonicContact OD2-NH2 2.78Å; D163-R264 PolarHBondContact OD2-NH2 3.4Å; F262-R264 HydrophobicContact CD2-CB 4.22Å; F262-R264 HydrophobicContact CE2-CB 4.09Å; R264-D297 PolarHBondContact NH1-O 3.16Å; R264-D297 PolarHBondContact NH1-OXT 3.19Å
265R92.7Very high94.3Very high59 Ų5944.3 Ų44.322%0.22325%0.246CC..EExtended strand (participates in β ladder)trans-121.1116.5171-61.6-65.3-167.5174.65.4110.2A161 L162 Y164 D199A161-R265 CarbonylContact C-O 3.53Å; A161-R265 VanDerWaalsContact CA-O 3.23Å; A161-R265 WeakPolarHBondContact CA-O 3.24Å; L162-R265 PolarHBondContact N-O 3.5Å; L162-R265 PolarHBondContact O-N 2.9Å; Y164-R265 HydrophobicContact CD2-CG 4.2Å; Y164-R265 HydrophobicContact CE2-CB 3.96Å; Y164-R265 HydrophobicContact CE2-CG 3.75Å; D199-R265 IonicContact OD1-NH2 3.35Å; D199-R265 PolarHBondContact OD1-NH2 3.25Å
266M94.8Very high93.8Very high51 Ų5141.7 Ų41.725%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-74135.6173.1-74.1-71.5-169.100110.3I146 G160 A161 Y268I146-M266 WeakPolarHBondContact CA-O 3.44Å; G160-M266 CarbonylContact O-C 3.39Å; G160-M266 WeakPolarHBondContact O-CA 3.1Å; A161-M266 HydrophobicContact CB-CE 4.45Å; A161-M266 HydrophobicContact CB-CG 4.43Å; A161-M266 HydrophobicContact CB-SD 3.68Å; M266-Y268 HydrophobicContact CB-CE2 3.74Å
267L95.8Very high93.3Very high0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-111.5141.4179-59.6-178.2000111W105 V144 S145 I146 L159 G160 L162 L294W105-L267 HydrophobicContact CZ2-CD1 4.27Å; V144-L267 HydrophobicContact CG1-CB 4.43Å; V144-L267 HydrophobicContact CG1-CD1 4.47Å; V144-L267 HydrophobicContact CG1-CD2 4.37Å; S145-L267 CarbonylContact O-C 3.59Å; I146-L267 HydrophobicContact CG2-CD2 4.23Å; L159-L267 HydrophobicContact CB-CB 4.16Å; L159-L267 WeakPolarHBondContact CB-O 3.38Å; L159-L267 HydrophobicContact CD1-CB 4.24Å; L159-L267 PolarHBondContact N-O 2.87Å; G160-L267 PolarHBondContact O-N 3.2Å; L162-L267 HydrophobicContact CD1-CD1 3.83Å; L162-L267 HydrophobicContact CG-CD1 3.88Å; L267-L294 HydrophobicContact CD1-CD1 4.23Å
268Y96.3Very high93Very high45 Ų4547.4 Ų47.418%0.17625%0.25CS..EExtended strand (participates in β ladder)trans-133141.4-178.2-61.3-90.8000110.2V144 S145 H148 V156 D157 K158 M266V144-Y268 WeakPolarHBondContact CA-O 3.36Å; S145-Y268 PolarHBondContact N-O 2.9Å; S145-Y268 PolarHBondContact O-N 3.3Å; H148-Y268 HydrophobicContact CB-CD1 4.27Å; H148-Y268 HydrophobicContact CB-CD2 4.41Å; H148-Y268 HydrophobicContact CB-CE1 3.66Å; H148-Y268 HydrophobicContact CB-CE2 3.83Å; H148-Y268 VanDerWaalsContact CB-CZ 3.42Å; V156-Y268 HydrophobicContact CG2-CD1 4.07Å; V156-Y268 HydrophobicContact CG2-CG 4.32Å; D157-Y268 CarbonylContact O-C 3.57Å; D157-Y268 VanDerWaalsContact O-CA 3.32Å; D157-Y268 WeakPolarHBondContact O-CA 3.29Å; K158-Y268 HydrophobicContact CB-CD1 4.23Å; K158-Y268 HydrophobicContact CB-CE1 4.13Å; K158-Y268 HydrophobicContact CG-CE1 4.26Å; M266-Y268 HydrophobicContact CB-CE2 3.74Å
269W97.2Very high92.8Very high0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-100110.3176.3174.3-126.7000110.8L95 V144 V156 D157 L159 R271 M279 V282 T283 L286L95-W269 HydrophobicContact CD1-CH2 4.08Å; L95-W269 HydrophobicContact CD2-CH2 3.74Å; L95-W269 HydrophobicContact CG-CH2 4.41Å; V144-W269 HydrophobicContact CG2-CE3 3.97Å; V144-W269 HydrophobicContact CG2-CZ3 4.24Å; V156-W269 VanDerWaalsContact CA-O 3.32Å; V156-W269 WeakPolarHBondContact CA-O 3.45Å; D157-W269 PolarHBondContact N-O 3.23Å; D157-W269 PolarHBondContact O-N 2.88Å; L159-W269 HydrophobicContact CD1-CB 3.89Å; L159-W269 HydrophobicContact CD2-CB 4.01Å; L159-W269 HydrophobicContact CG-CB 3.88Å; W269-R271 VanDerWaalsContact CD1-NE 3.35Å; W269-R271 HydrophobicContact CZ2-CB 4.4Å; W269-R271 VanDerWaalsContact NE1-NE 3.1Å; W269-M279 HydrophobicContact CH2-CE 4.33Å; W269-M279 HydrophobicContact CZ2-CE 3.68Å; W269-V282 HydrophobicContact CH2-CG1 4.29Å; W269-V282 HydrophobicContact CZ2-CG1 3.88Å; W269-T283 PolarHBondContact NE1-OG1 3.29Å; W269-L286 HydrophobicContact CD2-CD1 3.65Å; W269-L286 HydrophobicContact CE3-CD1 3.73Å; W269-L286 HydrophobicContact CG-CD1 4.24Å; W269-L286 HydrophobicContact CH2-CD1 3.86Å; W269-L286 HydrophobicContact CZ2-CD1 3.81Å; W269-L286 HydrophobicContact CZ3-CD1 3.85Å
270H96.4Very high92.8Very high0 Ų048.2 Ų48.20%024%0.238CC..EExtended strand (participates in β ladder)trans-101140.4178-65.5-93.7000110.6Q132 L135 G142 A143 Q147 Q149 L155 V156Q132-H270 PolarHBondContact NE2-CE1 3.28Å; Q132-H270 PolarHBondContact NE2-ND1 2.89Å; Q132-H270 PolarHBondContact NE2-NE2 2.69Å; Q132-H270 VanDerWaalsContact NE2-NE2 3.1Å; L135-H270 HydrophobicContact CD2-CB 3.53Å; G142-H270 CarbonylContact C-O 3.56Å; G142-H270 WeakPolarHBondContact CA-O 3.21Å; A143-H270 HydrophobicContact CB-CB 4.47Å; A143-H270 PolarHBondContact N-O 3.44Å; A143-H270 PolarHBondContact O-N 3.38Å; Q147-H270 PolarHBondContact O-CE1 3.32Å; Q147-H270 VanDerWaalsContact O-CE1 3.28Å; Q147-H270 PolarHBondContact O-NE2 3.34Å; Q149-H270 PolarHBondContact O-CE1 3.44Å; L155-H270 WeakPolarHBondContact O-CA 3.28Å; V156-H270 WeakPolarHBondContact CG2-CE1 3.3Å
271R95Very high92.8Very high5 Ų548.7 Ų48.72%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-155.7163.9173.282.3-153.889104.8-155.4112.1V141 C154 L155 D157 W269 E275 M279 T283V141-R271 WeakPolarHBondContact O-CA 3.4Å; C154-R271 CarbonylContact C-O 3.32Å; C154-R271 WeakPolarHBondContact CA-O 3.49Å; C154-R271 WeakPolarHBondContact CB-O 3.25Å; L155-R271 HydrophobicContact CB-CG 4.45Å; L155-R271 PolarHBondContact N-O 2.82Å; L155-R271 PolarHBondContact O-N 3.04Å; D157-R271 IonicContact OD2-CZ 2.74Å; D157-R271 IonicContact OD2-NH1 3.38Å; D157-R271 PolarHBondContact OD2-NH1 2.91Å; D157-R271 IonicContact OD2-NH2 3.29Å; D157-R271 PolarHBondContact OD2-NH2 3.12Å; W269-R271 VanDerWaalsContact CD1-NE 3.35Å; W269-R271 HydrophobicContact CZ2-CB 4.4Å; W269-R271 VanDerWaalsContact NE1-NE 3.1Å; R271-E275 WeakPolarHBondContact CD-OE1 3.37Å; R271-E275 HydrophobicContact CG-CG 4.07Å; R271-E275 IonicContact CZ-OE1 2.68Å; R271-E275 IonicContact NE-OE1 3.19Å; R271-E275 PolarHBondContact NE-OE1 3.43Å; R271-E275 IonicContact NH2-OE1 3.79Å; R271-E275 PolarHBondContact NH2-OE1 3.07Å; R271-E275 IonicContact NH2-OE2 3.24Å; R271-E275 PolarHBondContact NH2-OE2 2.91Å; R271-M279 HydrophobicContact CB-CE 3.87Å; R271-T283 VanDerWaalsContact CD-OG1 3.26Å; R271-T283 WeakPolarHBondContact CD-OG1 3.18Å; R271-T283 PolarHBondContact NE-OG1 2.99Å; R271-T283 VanDerWaalsContact NE-OG1 3.11Å
272F92.2Very high92.8Very high33 Ų3345.7 Ų45.715%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-67.3147.2175.2-72.8-63.1000113.3Q72 L135 V140 V141Q72-F272 HydrophobicContact CG-CD2 3.86Å; Q72-F272 HydrophobicContact CG-CE2 4.28Å; Q72-F272 HydrophobicContact CG-CG 4.23Å; Q72-F272 VanDerWaalsContact NE2-CD2 3.3Å; Q72-F272 VanDerWaalsContact NE2-CE1 3.31Å; L135-F272 HydrophobicContact CD1-CD2 3.91Å; L135-F272 HydrophobicContact CD1-CE1 4.47Å; L135-F272 HydrophobicContact CD1-CE2 3.66Å; L135-F272 HydrophobicContact CD1-CG 4.43Å; L135-F272 HydrophobicContact CD1-CZ 3.97Å; L135-F272 HydrophobicContact CG-CZ 4.44Å; L135-F272 WeakPolarHBondContact O-CZ 3.35Å; V140-F272 WeakPolarHBondContact O-CE2 3.35Å; V141-F272 HydrophobicContact CB-CD2 4.37Å; V141-F272 HydrophobicContact CG1-CD2 4.48Å; V141-F272 PolarHBondContact O-N 2.78Å
273A89.3Confident92.9Very high35 Ų3541.5 Ų41.529%0.28919%0.187SC..SBendtrans-107.4141.1168.400000110.5S153 L155S153-A273 PolarHBondContact O-N 3.12Å; L155-A273 HydrophobicContact CD2-CB 4.19Å; L155-A273 HydrophobicContact CG-CB 4Å
274P87.6Confident93Very high100 Ų10043.9 Ų43.965%0.64920%0.201SC*.SBendcis-70.4150.8-5.631.2-35.2000112.1L76L76-P274 HydrophobicContact CD1-CG 4.49Å; L76-P274 HydrophobicContact CD2-CG 4.39Å
275E86.5Confident93.2Very high29 Ų2940.8 Ų40.814%0.13619%0.193CC..PPolyproline II helixtrans-74.3134.6173.6-66.3179.698.400111L155 R271 M279 T283L155-E275 HydrophobicContact CD1-CG 3.76Å; R271-E275 WeakPolarHBondContact CD-OE1 3.37Å; R271-E275 HydrophobicContact CG-CG 4.07Å; R271-E275 IonicContact CZ-OE1 2.68Å; R271-E275 IonicContact NE-OE1 3.19Å; R271-E275 PolarHBondContact NE-OE1 3.43Å; R271-E275 IonicContact NH2-OE1 3.79Å; R271-E275 PolarHBondContact NH2-OE1 3.07Å; R271-E275 IonicContact NH2-OE2 3.24Å; R271-E275 PolarHBondContact NH2-OE2 2.91Å; E275-M279 HydrophobicContact CB-CB 4.42Å; E275-T283 PolarHBondContact OE1-OG1 2.81Å
276S87.5Confident93.5Very high3 Ų338 Ų382%0.02118%0.182CC..PPolyproline II helixtrans-72.1161.2165.173.50000111.8L75 E79 M278 M279 R280L75-S276 WeakPolarHBondContact O-CB 3.39Å; L75-S276 PolarHBondContact O-OG 2.85Å; E79-S276 WeakPolarHBondContact OE1-CA 3.3Å; S276-M278 PolarHBondContact O-N 3.34Å; S276-M279 PolarHBondContact O-N 2.9Å; S276-M279 VanDerWaalsContact O-N 3.09Å; S276-M279 PolarHBondContact OG-N 3.45Å; S276-R280 PolarHBondContact O-N 3.42Å
277R88.1Confident93.6Very high177 Ų17736.9 Ų36.967%0.66818%0.177SC*.Hα-helixtrans-50.1-42.3170.6-169.2-178.1-165.8-165.44.4112.7E79 R280 K281E79-R277 HydrophobicContact CG-CB 4.36Å; E79-R277 PolarHBondContact OE1-N 2.9Å; R277-R280 PolarHBondContact O-N 2.87Å; R277-K281 PolarHBondContact O-N 3.33Å; R277-K281 VanDerWaalsContact O-N 3.09Å
278M89.6Confident93.7Very high6 Ų641.7 Ų41.73%0.0320%0.203CC..Hα-helixtrans-64.9-46.9177.3-176.158.475.300111.9E78 L91 V113 I119 S276 R280 K281 V282E78-M278 WeakPolarHBondContact OE1-CE 3.49Å; E78-M278 WeakPolarHBondContact OE2-CB 3.41Å; L91-M278 HydrophobicContact CD2-CB 4.11Å; L91-M278 HydrophobicContact CD2-CE 4.33Å; L91-M278 HydrophobicContact CD2-CG 3.79Å; V113-M278 HydrophobicContact CG1-SD 4.03Å; I119-M278 HydrophobicContact CD1-CE 3.82Å; I119-M278 HydrophobicContact CD1-CG 4.42Å; I119-M278 HydrophobicContact CD1-SD 3.42Å; I119-M278 WeakPolarHBondContact CD1-SD 3.44Å; I119-M278 HydrophobicContact CG1-CE 3.94Å; I119-M278 HydrophobicContact CG1-SD 4.16Å; S276-M278 PolarHBondContact O-N 3.34Å; M278-R280 VanDerWaalsContact C-N 3.25Å; M278-R280 PolarHBondContact O-N 2.87Å; M278-K281 WeakPolarHBondContact O-CB 3.26Å; M278-K281 PolarHBondContact O-N 3.32Å; M278-V282 WeakPolarHBondContact O-CG2 3.41Å; M278-V282 PolarHBondContact O-N 3.44Å
279M93Very high93.8Very high8 Ų843.4 Ų43.44%0.03921%0.21CC..Hα-helixtrans-62.8-34.3177.2-73.6-57.1-58.500112L75 L93 V141 W269 R271 E275 S276 V282 T283L75-M279 HydrophobicContact CD1-CG 4.39Å; L93-M279 HydrophobicContact CD1-SD 3.44Å; L93-M279 WeakPolarHBondContact CD1-SD 3.48Å; V141-M279 HydrophobicContact CG2-CE 4.35Å; V141-M279 HydrophobicContact CG2-SD 3.8Å; W269-M279 HydrophobicContact CH2-CE 4.33Å; W269-M279 HydrophobicContact CZ2-CE 3.68Å; R271-M279 HydrophobicContact CB-CE 3.87Å; E275-M279 HydrophobicContact CB-CB 4.42Å; S276-M279 PolarHBondContact O-N 2.9Å; S276-M279 VanDerWaalsContact O-N 3.09Å; S276-M279 PolarHBondContact OG-N 3.45Å; M279-V282 WeakPolarHBondContact O-CB 3.43Å; M279-V282 PolarHBondContact O-N 2.98Å; M279-T283 WeakPolarHBondContact O-CB 2.96Å; M279-T283 PolarHBondContact O-N 3.45Å; M279-T283 PolarHBondContact O-OG1 3.15Å
280R93.7Very high93.7Very high126 Ų12643.4 Ų43.448%0.47521%0.21SC..Hα-helixtrans-63.2-46.9172.6-173.2167.1-64.7137.89.6112S276 R277 M278 V282 T283 D284S276-R280 PolarHBondContact O-N 3.42Å; R277-R280 PolarHBondContact O-N 2.87Å; M278-R280 VanDerWaalsContact C-N 3.25Å; M278-R280 PolarHBondContact O-N 2.87Å; R280-V282 VanDerWaalsContact C-N 3.26Å; R280-V282 PolarHBondContact O-N 3.14Å; R280-T283 WeakPolarHBondContact O-CB 2.95Å; R280-T283 PolarHBondContact O-N 3.1Å; R280-T283 VanDerWaalsContact O-N 3.13Å; R280-D284 WeakPolarHBondContact O-CB 3.27Å; R280-D284 PolarHBondContact O-N 3.38Å
281K94Very high93.7Very high79 Ų7947.8 Ų47.834%0.34323%0.23SC..Hα-helixtrans-55.6-42.6173.8-70.8-176.4179.2-175.70111.9V113 S117 R277 M278 A285V113-K281 HydrophobicContact CG1-CB 4.3Å; V113-K281 HydrophobicContact CG2-CB 4.34Å; V113-K281 WeakPolarHBondContact CG2-O 3.38Å; S117-K281 PolarHBondContact OG-NZ 3.11Å; R277-K281 PolarHBondContact O-N 3.33Å; R277-K281 VanDerWaalsContact O-N 3.09Å; M278-K281 WeakPolarHBondContact O-CB 3.26Å; M278-K281 PolarHBondContact O-N 3.32Å; K281-A285 VanDerWaalsContact O-CB 3.3Å; K281-A285 WeakPolarHBondContact O-CB 3.24Å; K281-A285 PolarHBondContact O-N 3.39Å
282V96Very high93.8Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-62.6-50.7175.3173.90000110.7L93 L110 V113 W269 M278 M279 R280 D284 A285 L286L93-V282 HydrophobicContact CD2-CG2 3.59Å; L110-V282 HydrophobicContact CD2-CG1 3.88Å; V113-V282 HydrophobicContact CG1-CG2 3.95Å; W269-V282 HydrophobicContact CH2-CG1 4.29Å; W269-V282 HydrophobicContact CZ2-CG1 3.88Å; M278-V282 WeakPolarHBondContact O-CG2 3.41Å; M278-V282 PolarHBondContact O-N 3.44Å; M279-V282 WeakPolarHBondContact O-CB 3.43Å; M279-V282 PolarHBondContact O-N 2.98Å; R280-V282 VanDerWaalsContact C-N 3.26Å; R280-V282 PolarHBondContact O-N 3.14Å; V282-D284 PolarHBondContact O-N 2.68Å; V282-A285 PolarHBondContact O-N 3.39Å; V282-L286 HydrophobicContact CG1-CD1 3.87Å; V282-L286 HydrophobicContact CG1-CG 4.2Å; V282-L286 WeakPolarHBondContact O-CB 3.44Å; V282-L286 VanDerWaalsContact O-CG 3.24Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 3.11Å
283T97.4Very high93.9Very high4 Ų456.1 Ų56.13%0.02527%0.27CS..Hα-helixtrans-54.9-51.5177.9-64.60000111.2W269 R271 E275 M279 R280 A285 L286 L287W269-T283 PolarHBondContact NE1-OG1 3.29Å; R271-T283 VanDerWaalsContact CD-OG1 3.26Å; R271-T283 WeakPolarHBondContact CD-OG1 3.18Å; R271-T283 PolarHBondContact NE-OG1 2.99Å; R271-T283 VanDerWaalsContact NE-OG1 3.11Å; E275-T283 PolarHBondContact OE1-OG1 2.81Å; M279-T283 WeakPolarHBondContact O-CB 2.96Å; M279-T283 PolarHBondContact O-N 3.45Å; M279-T283 PolarHBondContact O-OG1 3.15Å; R280-T283 WeakPolarHBondContact O-CB 2.95Å; R280-T283 PolarHBondContact O-N 3.1Å; R280-T283 VanDerWaalsContact O-N 3.13Å; T283-A285 VanDerWaalsContact C-N 3.33Å; T283-A285 PolarHBondContact O-N 3.16Å; T283-L286 PolarHBondContact O-N 3.3Å; T283-L287 HydrophobicContact CG2-CD1 3.69Å; T283-L287 HydrophobicContact CG2-CG 4.31Å; T283-L287 WeakPolarHBondContact O-CB 3.48Å; T283-L287 WeakPolarHBondContact O-CG 3.2Å; T283-L287 PolarHBondContact O-N 2.98Å
284D97.3Very high94.3Very high82 Ų8254.9 Ų54.944%0.43926%0.259SS..Hα-helixtrans-59.4-46-178.9-63.9-19.4000110.4R280 V282 L286 L287 D288R280-D284 WeakPolarHBondContact O-CB 3.27Å; R280-D284 PolarHBondContact O-N 3.38Å; V282-D284 PolarHBondContact O-N 2.68Å; D284-L286 PolarHBondContact O-N 3.25Å; D284-L287 PolarHBondContact O-N 2.99Å; D284-D288 VanDerWaalsContact O-CB 3.23Å; D284-D288 WeakPolarHBondContact O-CB 3.39Å; D284-D288 VanDerWaalsContact O-CG 3.29Å; D284-D288 PolarHBondContact O-N 3.49Å
285A97.5Very high94.6Very high15 Ų1556.9 Ų56.912%0.12425%0.253CS..Hα-helixtrans-65-39.5179.300000113.1A109 V113 K281 V282 T283 Y289A109-A285 WeakPolarHBondContact O-CB 3.31Å; V113-A285 HydrophobicContact CG2-CB 3.57Å; K281-A285 VanDerWaalsContact O-CB 3.3Å; K281-A285 WeakPolarHBondContact O-CB 3.24Å; K281-A285 PolarHBondContact O-N 3.39Å; V282-A285 PolarHBondContact O-N 3.39Å; T283-A285 VanDerWaalsContact C-N 3.33Å; T283-A285 PolarHBondContact O-N 3.16Å; A285-Y289 VanDerWaalsContact O-CB 3.31Å; A285-Y289 WeakPolarHBondContact O-CB 3.46Å; A285-Y289 PolarHBondContact O-N 2.97Å; A285-Y289 VanDerWaalsContact O-N 3.08Å
286L98Very high94.9Very high0 Ų058.2 Ų58.20%026%0.259CS..Hα-helixtrans-67.4-41.8176.1-67.7-179.5000112W105 L106 A109 L110 L159 W269 V282 T283 D284 G290W105-L286 HydrophobicContact CH2-CD2 4.18Å; W105-L286 HydrophobicContact CZ3-CB 4.36Å; W105-L286 HydrophobicContact CZ3-CD2 3.73Å; L106-L286 HydrophobicContact CD1-CD2 3.65Å; A109-L286 HydrophobicContact CB-CD2 3.87Å; L110-L286 HydrophobicContact CD2-CD2 3.91Å; L110-L286 HydrophobicContact CD2-CG 4.34Å; L110-L286 HydrophobicContact CG-CD2 4.14Å; L159-L286 HydrophobicContact CD2-CB 4.05Å; W269-L286 HydrophobicContact CD2-CD1 3.65Å; W269-L286 HydrophobicContact CE3-CD1 3.73Å; W269-L286 HydrophobicContact CG-CD1 4.24Å; W269-L286 HydrophobicContact CH2-CD1 3.86Å; W269-L286 HydrophobicContact CZ2-CD1 3.81Å; W269-L286 HydrophobicContact CZ3-CD1 3.85Å; V282-L286 HydrophobicContact CG1-CD1 3.87Å; V282-L286 HydrophobicContact CG1-CG 4.2Å; V282-L286 WeakPolarHBondContact O-CB 3.44Å; V282-L286 VanDerWaalsContact O-CG 3.24Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 3.11Å; T283-L286 PolarHBondContact O-N 3.3Å; D284-L286 PolarHBondContact O-N 3.25Å; L286-G290 VanDerWaalsContact O-CA 3.29Å; L286-G290 WeakPolarHBondContact O-CA 3.29Å; L286-G290 PolarHBondContact O-N 3.07Å
287L97.9Very high94.5Very high27 Ų2766 Ų6614%0.14130%0.301CS..Hα-helixtrans-68.8-48.7177.5-68.3172.7000111.1D157 L159 T283 D284 Y289 G290 H291D157-L287 HydrophobicContact CB-CD1 4.21Å; D157-L287 HydrophobicContact CB-CD2 3.77Å; L159-L287 HydrophobicContact CD2-CD2 4.13Å; T283-L287 HydrophobicContact CG2-CD1 3.69Å; T283-L287 HydrophobicContact CG2-CG 4.31Å; T283-L287 WeakPolarHBondContact O-CB 3.48Å; T283-L287 WeakPolarHBondContact O-CG 3.2Å; T283-L287 PolarHBondContact O-N 2.98Å; D284-L287 PolarHBondContact O-N 2.99Å; L287-Y289 VanDerWaalsContact C-N 3.33Å; L287-Y289 PolarHBondContact O-N 3.18Å; L287-G290 PolarHBondContact O-N 3.3Å; L287-H291 VanDerWaalsContact O-CB 3.31Å; L287-H291 WeakPolarHBondContact O-CB 3.45Å; L287-H291 VanDerWaalsContact O-CG 3.3Å; L287-H291 PolarHBondContact O-N 2.94Å
288D97.3Very high94.8Very high101 Ų10160.5 Ų60.554%0.5428%0.283SS..Hα-helixtrans-60.3-41.5-178.9-81.5-5.8000112.5D284 K292D284-D288 VanDerWaalsContact O-CB 3.23Å; D284-D288 WeakPolarHBondContact O-CB 3.39Å; D284-D288 VanDerWaalsContact O-CG 3.29Å; D284-D288 PolarHBondContact O-N 3.49Å; D288-K292 WeakPolarHBondContact O-CD 3.37Å; D288-K292 WeakPolarHBondContact O-CE 3.29Å; D288-K292 VanDerWaalsContact O-CG 3.22Å; D288-K292 WeakPolarHBondContact O-CG 3.26Å
289Y97.6Very high95.1Very high81 Ų8163.4 Ų63.432%0.31830%0.296SS..Hα-helixtrans-80.5-44.2178.1-165.1-86.1000111.3W105 P108 A109 A285 L287 H291 K292 V293W105-Y289 HydrophobicContact CB-CD1 4.21Å; W105-Y289 HydrophobicContact CB-CE1 3.96Å; W105-Y289 WeakPolarHBondContact O-CE1 3.35Å; P108-Y289 HydrophobicContact CB-CE1 3.79Å; P108-Y289 HydrophobicContact CB-CE2 3.78Å; P108-Y289 VanDerWaalsContact CB-OH 3.29Å; P108-Y289 WeakPolarHBondContact CB-OH 3.25Å; A109-Y289 VanDerWaalsContact CB-CB 3.49Å; A109-Y289 HydrophobicContact CB-CD1 3.79Å; A109-Y289 HydrophobicContact CB-CG 3.73Å; A285-Y289 VanDerWaalsContact O-CB 3.31Å; A285-Y289 WeakPolarHBondContact O-CB 3.46Å; A285-Y289 PolarHBondContact O-N 2.97Å; A285-Y289 VanDerWaalsContact O-N 3.08Å; L287-Y289 VanDerWaalsContact C-N 3.33Å; L287-Y289 PolarHBondContact O-N 3.18Å; Y289-H291 PolarHBondContact O-N 3.37Å; Y289-K292 WeakPolarHBondContact O-CB 3.38Å; Y289-K292 PolarHBondContact O-N 2.97Å; Y289-V293 HydrophobicContact CD1-CG1 4.2Å; Y289-V293 HydrophobicContact CD1-CG2 3.87Å; Y289-V293 HydrophobicContact CE1-CB 4.35Å; Y289-V293 HydrophobicContact CE1-CG1 3.69Å; Y289-V293 HydrophobicContact CE1-CG2 3.74Å; Y289-V293 PolarHBondContact O-N 3.23Å
290G96.6Very high95.2Very high0 Ų066.4 Ų66.40%031%0.31CS..Hα-helixtrans-56.6-46.5178.700000112L286 L287 K292 V293 L294L286-G290 VanDerWaalsContact O-CA 3.29Å; L286-G290 WeakPolarHBondContact O-CA 3.29Å; L286-G290 PolarHBondContact O-N 3.07Å; L287-G290 PolarHBondContact O-N 3.3Å; G290-K292 PolarHBondContact O-N 2.76Å; G290-V293 PolarHBondContact O-N 2.86Å; G290-L294 WeakPolarHBondContact O-CA 3.37Å; G290-L294 WeakPolarHBondContact O-CB 3.19Å; G290-L294 WeakPolarHBondContact O-CG 3.44Å; G290-L294 PolarHBondContact O-N 3.42Å
291H96Very high95.3Very high93 Ų9362.9 Ų62.943%0.43130%0.301SS..Hα-helixtrans-63.8-23.8177.2-69.8173.7000114.1K158 L159 L287 Y289 Q296K158-H291 PolarHBondContact O-NE2 3.47Å; L159-H291 PolarHBondContact O-CD2 3.13Å; L287-H291 VanDerWaalsContact O-CB 3.31Å; L287-H291 WeakPolarHBondContact O-CB 3.45Å; L287-H291 VanDerWaalsContact O-CG 3.3Å; L287-H291 PolarHBondContact O-N 2.94Å; Y289-H291 PolarHBondContact O-N 3.37Å; H291-Q296 PolarHBondContact CD2-OE1 3.34Å
292K95.9Very high95.4Very high164 Ų16461.9 Ų61.971%0.71330%0.298SS*.Hα-helixtrans-80.6-33.4177.6-70.1168.2-170161.20113.2D288 Y289 G290D288-K292 WeakPolarHBondContact O-CD 3.37Å; D288-K292 WeakPolarHBondContact O-CE 3.29Å; D288-K292 VanDerWaalsContact O-CG 3.22Å; D288-K292 WeakPolarHBondContact O-CG 3.26Å; Y289-K292 WeakPolarHBondContact O-CB 3.38Å; Y289-K292 PolarHBondContact O-N 2.97Å; G290-K292 PolarHBondContact O-N 2.76Å
293V96.1Very high95.3Very high48 Ų4866.1 Ų66.129%0.29132%0.318SS..Hα-helixtrans-113.8-23.3-170.7-53.80000114.2W105 L243 Y289 G290W105-V293 HydrophobicContact CB-CG2 3.62Å; W105-V293 HydrophobicContact CG-CG2 4.38Å; L243-V293 HydrophobicContact CD1-CB 4.48Å; L243-V293 HydrophobicContact CD2-CG2 4.3Å; Y289-V293 HydrophobicContact CD1-CG1 4.2Å; Y289-V293 HydrophobicContact CD1-CG2 3.87Å; Y289-V293 HydrophobicContact CE1-CB 4.35Å; Y289-V293 HydrophobicContact CE1-CG1 3.69Å; Y289-V293 HydrophobicContact CE1-CG2 3.74Å; Y289-V293 PolarHBondContact O-N 3.23Å; G290-V293 PolarHBondContact O-N 2.86Å
294L96.7Very high95.2Very high9 Ų970.5 Ų70.55%0.04734%0.339CS..SBendtrans-92.3147.5177.3-57.1175.8000110.6W105 L159 L162 L243 L267 G290 Q296W105-L294 HydrophobicContact CD2-CD1 4.24Å; W105-L294 HydrophobicContact CG-CD2 4.16Å; W105-L294 HydrophobicContact CZ2-CD1 4.26Å; L159-L294 HydrophobicContact CB-CD1 3.97Å; L162-L294 HydrophobicContact CD2-CD2 3.51Å; L162-L294 HydrophobicContact CG-CD2 4.1Å; L243-L294 HydrophobicContact CD2-CD2 4.24Å; L267-L294 HydrophobicContact CD1-CD1 4.23Å; G290-L294 WeakPolarHBondContact O-CA 3.37Å; G290-L294 WeakPolarHBondContact O-CB 3.19Å; G290-L294 WeakPolarHBondContact O-CG 3.44Å; G290-L294 PolarHBondContact O-N 3.42Å; L294-Q296 PolarHBondContact O-N 3.36Å; L294-Q296 PolarHBondContact O-NE2 3.28Å
295R94.7Very high95Very high142 Ų14269.6 Ų69.654%0.53633%0.331SS..BIsolated β-bridgetrans-67.1131.9176.6-64.2-67.5-173.2-173.5-4.8110.2G160 A161G160-R295 CarbonylContact C-O 3.03Å; G160-R295 VanDerWaalsContact C-O 3.32Å; G160-R295 VanDerWaalsContact CA-O 3.22Å; G160-R295 WeakPolarHBondContact CA-O 3.41Å; A161-R295 HydrophobicContact CB-CB 4.28Å; A161-R295 PolarHBondContact N-O 3.3Å; A161-R295 PolarHBondContact O-N 3.23Å; A161-R295 VanDerWaalsContact O-N 3.07Å
296Q91.9Very high94.8Very high57 Ų5774.2 Ų74.227%0.26635%0.348SS..  trans-95.1-26.6-177.5-63.1-52.7-50.100113.4K158 L159 H291 L294K158-Q296 PolarHBondContact NZ-O 3.28Å; L159-Q296 PolarHBondContact O-NE2 3Å; L159-Q296 VanDerWaalsContact O-NE2 3.09Å; H291-Q296 PolarHBondContact CD2-OE1 3.34Å; L294-Q296 PolarHBondContact O-N 3.36Å; L294-Q296 PolarHBondContact O-NE2 3.28Å
297D78.8Confident94.5Very high168 Ų16880.9 Ų80.990%0.89838%0.38SS*.  trans-106.90175.6-55-39.4000109.9R264R264-D297 PolarHBondContact NH1-O 3.16Å; R264-D297 PolarHBondContact NH1-OXT 3.19Å

Retrieved 297 of 297 residues in 625.1 ms (Link to these results)

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