A0A077ZJ26_TRITR Loading...

HTH 1 and LysR substrate domain containing protei n

AlphaFold DB (P0A8S1), UniProt , Accession A0A077ZJ26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, 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 119.6 ms (Link to these results)

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