A0A077Z528_TRITR Loading...

adenine deaminase

AlphaFold DB , UniProt , Accession A0A077Z528, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 588 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low58.2Low212 Ų21283.6 Ų83.6100%1.04442%0.418SS*.  0100.30-68.8-171-142.900107.6N3M1-N3 PolarHBondContact O-N 3.18Å; M1-N3 VanDerWaalsContact O-N 3.11Å
2N41.9Very low60.6Low70 Ų7079.7 Ų79.737%0.37440%0.399SS..  trans-66101-178.4-84.2-29000110.7S4 I5 H208N2-S4 VanDerWaalsContact C-N 3.25Å; N2-I5 HydrophobicContact CB-CB 4.4Å; N2-I5 HydrophobicContact CB-CD1 3.68Å; N2-I5 HydrophobicContact CB-CG1 3.91Å; N2-H208 VanDerWaalsContact CG-O 3.27Å; N2-H208 PolarHBondContact ND2-O 2.79Å
3N45.8Very low62.8Low120 Ų12076.5 Ų76.564%0.64239%0.389SS*.Hα-helixtrans-71.8-18.8170-95.6-5.1000112.6M1 H7M1-N3 PolarHBondContact O-N 3.18Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-H7 PolarHBondContact O-CD2 3.35Å
4S52.6Low65Low55 Ų5585.7 Ų85.739%0.38542%0.416SS..Hα-helixtrans-68.9-37.4-17960.60000112.7N2 H7N2-S4 VanDerWaalsContact C-N 3.25Å; S4-H7 PolarHBondContact O-N 2.88Å
5I59.4Low67Low5 Ų583.6 Ų83.63%0.02642%0.418CS..Hα-helixtrans-59.7-50.3179.6-68177.9000109.8N2 H7 K8 F9 L209 F327N2-I5 HydrophobicContact CB-CB 4.4Å; N2-I5 HydrophobicContact CB-CD1 3.68Å; N2-I5 HydrophobicContact CB-CG1 3.91Å; I5-H7 PolarHBondContact O-N 2.94Å; I5-H7 VanDerWaalsContact O-N 3.12Å; I5-K8 WeakPolarHBondContact O-CB 3.37Å; I5-K8 PolarHBondContact O-N 2.83Å; I5-F9 HydrophobicContact CB-CE2 4.19Å; I5-F9 HydrophobicContact CG2-CD2 3.77Å; I5-F9 HydrophobicContact CG2-CE2 3.35Å; I5-F9 HydrophobicContact CG2-CZ 4.49Å; I5-F9 WeakPolarHBondContact O-CD2 3.36Å; I5-F9 VanDerWaalsContact O-CE2 3.25Å; I5-F9 WeakPolarHBondContact O-CE2 3.38Å; I5-F9 PolarHBondContact O-N 3.13Å; I5-L209 HydrophobicContact CD1-CD2 4.41Å; I5-L209 HydrophobicContact CG1-CD2 3.92Å; I5-F327 WeakPolarHBondContact CG2-O 3.32Å
6N56.9Low68.7Low42 Ų4282.1 Ų82.123%0.22541%0.409CS..Hα-helixtrans-54.5-37.9179.6-86.6-33000113.7K8 F9 H10 G328 N330N6-K8 VanDerWaalsContact C-N 3.27Å; N6-K8 PolarHBondContact O-N 2.8Å; N6-F9 PolarHBondContact O-N 3.15Å; N6-H10 WeakPolarHBondContact O-CB 3.46Å; N6-H10 PolarHBondContact O-N 3.01Å; N6-G328 PolarHBondContact OD1-O 3.21Å; N6-N330 VanDerWaalsContact CG-ND2 3.29Å; N6-N330 PolarHBondContact ND2-ND2 3Å; N6-N330 WeakPolarHBondContact OD1-CB 3.43Å; N6-N330 PolarHBondContact OD1-N 2.92Å; N6-N330 PolarHBondContact OD1-ND2 3.43Å
7H58.7Low70.2Confident155 Ų15584.4 Ų84.472%0.71841%0.413SS*.Hα-helixtrans-69-24.4179.7-79.8-67.4000113.3N3 S4 I5N3-H7 PolarHBondContact O-CD2 3.35Å; S4-H7 PolarHBondContact O-N 2.88Å; I5-H7 PolarHBondContact O-N 2.94Å; I5-H7 VanDerWaalsContact O-N 3.12Å
8K70.4Confident71.7Confident51 Ų5186.3 Ų86.322%0.22242%0.421CS..Hα-helixtrans-72.1-42.5176-75.8-177.7172.5172.40112.1I5 N6 R175 D176I5-K8 WeakPolarHBondContact O-CB 3.37Å; I5-K8 PolarHBondContact O-N 2.83Å; N6-K8 VanDerWaalsContact C-N 3.27Å; N6-K8 PolarHBondContact O-N 2.8Å; K8-R175 PolarHBondContact NZ-O 3.22Å; K8-D176 WeakPolarHBondContact CE-OD1 3.47Å; K8-D176 IonicContact NZ-OD1 3.36Å; K8-D176 PolarHBondContact NZ-OD1 3.33Å
9F68.9Low73.1Confident23 Ų2387.2 Ų87.210%0.10142%0.424CS..Hα-helixtrans-100.3-23-169.5-48.4-70.8000114.3I5 N6 Y146 P178 V180 T181 L329I5-F9 HydrophobicContact CB-CE2 4.19Å; I5-F9 HydrophobicContact CG2-CD2 3.77Å; I5-F9 HydrophobicContact CG2-CE2 3.35Å; I5-F9 HydrophobicContact CG2-CZ 4.49Å; I5-F9 WeakPolarHBondContact O-CD2 3.36Å; I5-F9 VanDerWaalsContact O-CE2 3.25Å; I5-F9 WeakPolarHBondContact O-CE2 3.38Å; I5-F9 PolarHBondContact O-N 3.13Å; N6-F9 PolarHBondContact O-N 3.15Å; F9-Y146 HydrophobicContact CB-CE1 4.45Å; F9-Y146 AromaticContact CD1-CD1 3.9Å; F9-Y146 HydrophobicContact CD1-CD1 3.9Å; F9-Y146 AromaticContact CD1-CE1 3.42Å; F9-Y146 HydrophobicContact CD1-CE1 3.42Å; F9-Y146 VanDerWaalsContact CD1-CE1 3.42Å; F9-Y146 AromaticContact CE1-CD1 3.97Å; F9-Y146 HydrophobicContact CE1-CD1 3.97Å; F9-Y146 AromaticContact CE1-CE1 3.99Å; F9-Y146 HydrophobicContact CE1-CE1 3.99Å; F9-Y146 HydrophobicContact CG-CE1 4.16Å; F9-P178 WeakPolarHBondContact CD1-O 3.33Å; F9-P178 WeakPolarHBondContact CE1-O 3.49Å; F9-V180 WeakPolarHBondContact CZ-O 3.06Å; F9-T181 HydrophobicContact CE1-CG2 3.84Å; F9-T181 HydrophobicContact CE2-CG2 4.34Å; F9-T181 HydrophobicContact CZ-CG2 3.7Å; F9-L329 HydrophobicContact CB-CD2 3.99Å; F9-L329 HydrophobicContact CD1-CD2 4.1Å; F9-L329 HydrophobicContact CD2-CD2 3.71Å; F9-L329 HydrophobicContact CE2-CD2 4.32Å; F9-L329 HydrophobicContact CG-CD2 3.62Å
10H71.7Confident74.2Confident53 Ų5383.3 Ų83.325%0.24541%0.405CS..  trans-12178.1-172.4-167.7-118.2000112.1N6 Y58 H331N6-H10 WeakPolarHBondContact O-CB 3.46Å; N6-H10 PolarHBondContact O-N 3.01Å; H10-Y58 AromaticContact CD2-CE1 3.95Å; H10-Y58 AromaticContact NE2-CD1 4Å; H10-Y58 AromaticContact NE2-CE1 3.3Å; H10-Y58 VanDerWaalsContact NE2-CE1 3.3Å; H10-Y58 WeakPolarHBondContact NE2-CE1 3.47Å; H10-H331 HydrophobicContact CB-CB 4Å; H10-H331 WeakPolarHBondContact CD2-CB 3.26Å; H10-H331 AromaticContact CD2-CD2 3.76Å; H10-H331 AromaticContact CD2-CG 3.51Å; H10-H331 VanDerWaalsContact CG-CB 3.49Å; H10-H331 AromaticContact CG-CG 3.85Å
11H78.7Confident75.4Confident134 Ų13482.5 Ų82.562%0.6240%0.403SS*.  trans-98.7111.7171-174.9-81.7000111R57 Y58H11-R57 PolarHBondContact O-NH2 3.15Å; H11-R57 VanDerWaalsContact O-NH2 3.1Å; H11-Y58 PolarHBondContact O-OH 3.2Å
12I86.4Confident78.4Confident36 Ų3673.2 Ų73.219%0.18536%0.36CS..  trans-106.8119.8165.8-169.6160.2000108.1E16 Y17 L20 Y58I12-E16 HydrophobicContact CD1-CB 4.28Å; I12-E16 HydrophobicContact CG1-CB 3.65Å; I12-Y17 HydrophobicContact CD1-CD2 3.81Å; I12-Y17 HydrophobicContact CG1-CD2 4.18Å; I12-Y17 HydrophobicContact CG2-CD2 3.73Å; I12-Y17 HydrophobicContact CG2-CE2 4.37Å; I12-L20 HydrophobicContact CD1-CD2 3.75Å; I12-Y58 HydrophobicContact CB-CE2 4.34Å; I12-Y58 HydrophobicContact CD1-CD2 3.75Å; I12-Y58 HydrophobicContact CD1-CE1 4.37Å; I12-Y58 HydrophobicContact CD1-CE2 3.5Å; I12-Y58 HydrophobicContact CD1-CG 4.26Å; I12-Y58 HydrophobicContact CG1-CE2 3.82Å
13S89.9Confident81Confident38 Ų3870.1 Ų70.127%0.26634%0.344SS..  trans-65.5156.717669.20000110.4A15 E16 Y17S13-A15 PolarHBondContact O-N 3.1Å; S13-E16 WeakPolarHBondContact CB-OE2 3.41Å; S13-E16 PolarHBondContact N-OE2 3.42Å; S13-E16 PolarHBondContact O-N 2.81Å; S13-E16 WeakPolarHBondContact OG-CB 3.24Å; S13-E16 VanDerWaalsContact OG-CG 3.3Å; S13-E16 WeakPolarHBondContact OG-CG 3.5Å; S13-E16 PolarHBondContact OG-N 3.11Å; S13-E16 PolarHBondContact OG-OE2 3.09Å; S13-Y17 WeakPolarHBondContact O-CB 3.5Å; S13-Y17 PolarHBondContact O-N 3.08Å
14R93.4Very high83.5Confident206 Ų20665.8 Ų65.878%0.77732%0.323SS*.Hα-helixtrans-58.1-34.6177.2-175.6170.6-178.8161.21.2112.3Y17 Q18R14-Y17 PolarHBondContact O-N 3.47Å; R14-Q18 VanDerWaalsContact O-CG 3.32Å; R14-Q18 WeakPolarHBondContact O-CG 3.47Å; R14-Q18 PolarHBondContact O-N 3.39Å
15A95Very high85.6Confident54 Ų5470.3 Ų70.345%0.44633%0.332SS..Hα-helixtrans-67.2-51.6176.800000111.2S13 Y17 Q18 E19S13-A15 PolarHBondContact O-N 3.1Å; A15-Y17 PolarHBondContact O-N 3.39Å; A15-Q18 PolarHBondContact O-N 2.96Å; A15-Q18 VanDerWaalsContact O-N 3.09Å; A15-E19 PolarHBondContact O-N 3.29Å
16E94.1Very high87.3Confident59 Ų5972.1 Ų72.128%0.27635%0.351SS..Hα-helixtrans-55-40.8174.2-74.6165114.300111.1I12 S13 Q18 E19 L20 R57I12-E16 HydrophobicContact CD1-CB 4.28Å; I12-E16 HydrophobicContact CG1-CB 3.65Å; S13-E16 WeakPolarHBondContact CB-OE2 3.41Å; S13-E16 PolarHBondContact N-OE2 3.42Å; S13-E16 PolarHBondContact O-N 2.81Å; S13-E16 WeakPolarHBondContact OG-CB 3.24Å; S13-E16 VanDerWaalsContact OG-CG 3.3Å; S13-E16 WeakPolarHBondContact OG-CG 3.5Å; S13-E16 PolarHBondContact OG-N 3.11Å; S13-E16 PolarHBondContact OG-OE2 3.09Å; E16-Q18 PolarHBondContact O-N 3.36Å; E16-E19 PolarHBondContact O-N 3.38Å; E16-L20 VanDerWaalsContact O-CB 3.25Å; E16-L20 WeakPolarHBondContact O-CB 3.48Å; E16-L20 PolarHBondContact O-N 3.31Å; E16-R57 IonicContact OE1-CZ 3.93Å; E16-R57 IonicContact OE1-NE 2.7Å; E16-R57 IonicContact OE1-NH2 3.58Å; E16-R57 PolarHBondContact OE1-NH2 2.97Å; E16-R57 IonicContact OE2-NH2 3.93Å
17Y94.7Very high89.2Confident121 Ų12175.5 Ų75.548%0.47537%0.369SS..Hα-helixtrans-64.4-40.9178.7-155.4-101000112.6I12 S13 R14 A15 L21I12-Y17 HydrophobicContact CD1-CD2 3.81Å; I12-Y17 HydrophobicContact CG1-CD2 4.18Å; I12-Y17 HydrophobicContact CG2-CD2 3.73Å; I12-Y17 HydrophobicContact CG2-CE2 4.37Å; S13-Y17 WeakPolarHBondContact O-CB 3.5Å; S13-Y17 PolarHBondContact O-N 3.08Å; R14-Y17 PolarHBondContact O-N 3.47Å; A15-Y17 PolarHBondContact O-N 3.39Å; Y17-L21 HydrophobicContact CD1-CD1 3.57Å; Y17-L21 HydrophobicContact CD1-CG 4.04Å; Y17-L21 HydrophobicContact CE1-CD1 3.52Å; Y17-L21 HydrophobicContact CE1-CD2 4.35Å; Y17-L21 HydrophobicContact CE1-CG 3.97Å; Y17-L21 WeakPolarHBondContact O-CB 3.37Å; Y17-L21 VanDerWaalsContact O-CG 3.23Å; Y17-L21 WeakPolarHBondContact O-CG 3.33Å; Y17-L21 PolarHBondContact O-N 2.86Å
18Q97.4Very high91.1Very high120 Ų12069.8 Ų69.856%0.56135%0.349SS*.Hα-helixtrans-65.3-41.7177.3-75.9175.5-50.400111.8R14 A15 E16 A22R14-Q18 VanDerWaalsContact O-CG 3.32Å; R14-Q18 WeakPolarHBondContact O-CG 3.47Å; R14-Q18 PolarHBondContact O-N 3.39Å; A15-Q18 PolarHBondContact O-N 2.96Å; A15-Q18 VanDerWaalsContact O-N 3.09Å; E16-Q18 PolarHBondContact O-N 3.36Å; Q18-A22 WeakPolarHBondContact O-CB 3.39Å; Q18-A22 PolarHBondContact O-N 2.88Å
19E96.9Very high92.4Very high102 Ų10270.5 Ų70.548%0.47736%0.358SS..Hα-helixtrans-65.8-48.1175.8-69.3-177.7-169.600111.7A15 E16 L21 A22 V23 K55A15-E19 PolarHBondContact O-N 3.29Å; E16-E19 PolarHBondContact O-N 3.38Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 3.46Å; E19-A22 WeakPolarHBondContact O-CB 3.35Å; E19-A22 PolarHBondContact O-N 2.71Å; E19-A22 VanDerWaalsContact O-N 3.09Å; E19-V23 PolarHBondContact O-N 3.39Å; E19-K55 VanDerWaalsContact OE2-CE 3.24Å; E19-K55 WeakPolarHBondContact OE2-CE 3.5Å; E19-K55 IonicContact OE2-NZ 2.69Å
20L96.8Very high93.7Very high9 Ų969.5 Ų69.55%0.04735%0.353CS..Hα-helixtrans-55.9-48.8177.9-174.962000110.5I12 E16 A22 V23 S24 K55 Y58 A60I12-L20 HydrophobicContact CD1-CD2 3.75Å; E16-L20 VanDerWaalsContact O-CB 3.25Å; E16-L20 WeakPolarHBondContact O-CB 3.48Å; E16-L20 PolarHBondContact O-N 3.31Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.2Å; L20-V23 PolarHBondContact O-N 2.99Å; L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 3.3Å; L20-S24 PolarHBondContact O-OG 3.08Å; L20-K55 HydrophobicContact CD1-CB 3.89Å; L20-Y58 HydrophobicContact CD2-CD2 4.33Å; L20-Y58 HydrophobicContact CD2-CG 4.09Å; L20-A60 HydrophobicContact CD1-CB 3.63Å
21L97.9Very high95Very high67 Ų6768.5 Ų68.535%0.35135%0.35SS..Hα-helixtrans-63.9-35.8177.2-73.3177.3000113.3Y17 E19 S24 R25Y17-L21 HydrophobicContact CD1-CD1 3.57Å; Y17-L21 HydrophobicContact CD1-CG 4.04Å; Y17-L21 HydrophobicContact CE1-CD1 3.52Å; Y17-L21 HydrophobicContact CE1-CD2 4.35Å; Y17-L21 HydrophobicContact CE1-CG 3.97Å; Y17-L21 WeakPolarHBondContact O-CB 3.37Å; Y17-L21 VanDerWaalsContact O-CG 3.23Å; Y17-L21 WeakPolarHBondContact O-CG 3.33Å; Y17-L21 PolarHBondContact O-N 2.86Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 3.46Å; L21-S24 PolarHBondContact O-N 3.41Å; L21-R25 WeakPolarHBondContact O-CG 3.39Å; L21-R25 PolarHBondContact O-N 2.62Å; L21-R25 VanDerWaalsContact O-N 3.08Å; L21-R25 PolarHBondContact O-NH1 3.32Å
22A98.1Very high95.9Very high18 Ų1863.8 Ų63.815%0.14933%0.327CS..Hα-helixtrans-65.7-42.9176.900000111.3Q18 E19 L20 R25 G26 D27 A28Q18-A22 WeakPolarHBondContact O-CB 3.39Å; Q18-A22 PolarHBondContact O-N 2.88Å; E19-A22 WeakPolarHBondContact O-CB 3.35Å; E19-A22 PolarHBondContact O-N 2.71Å; E19-A22 VanDerWaalsContact O-N 3.09Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.2Å; A22-R25 PolarHBondContact O-N 2.93Å; A22-G26 PolarHBondContact O-N 3.29Å; A22-D27 HydrophobicContact CB-CB 4.43Å; A22-D27 PolarHBondContact O-N 3.11Å; A22-A28 HydrophobicContact CB-CB 3.75Å; A22-A28 PolarHBondContact O-N 3.11Å
23V98Very high96.4Very high5 Ų562.1 Ų62.13%0.0332%0.318CS..Hα-helixtrans-64.8-44.7173.3176.20000110.9E19 L20 R25 G26 A28 V29 A30 V53 K55 A60E19-V23 PolarHBondContact O-N 3.39Å; L20-V23 PolarHBondContact O-N 2.99Å; V23-R25 PolarHBondContact O-N 2.85Å; V23-G26 PolarHBondContact O-N 3.26Å; V23-A28 HydrophobicContact CG2-CB 3.92Å; V23-V29 WeakPolarHBondContact CG2-O 3.26Å; V23-A30 HydrophobicContact CG1-CB 3.73Å; V23-V53 HydrophobicContact CG1-CG1 3.63Å; V23-K55 HydrophobicContact CB-CB 4.27Å; V23-K55 HydrophobicContact CB-CG 4.46Å; V23-K55 HydrophobicContact CG1-CB 4.35Å; V23-K55 HydrophobicContact CG2-CB 4.13Å; V23-K55 HydrophobicContact CG2-CD 3.91Å; V23-K55 HydrophobicContact CG2-CG 3.89Å; V23-A60 HydrophobicContact CB-CB 4.18Å; V23-A60 HydrophobicContact CG1-CB 3.72Å
24S97.7Very high96.8Very high29 Ų2960.3 Ų60.320%0.20331%0.305CS..Hα-helixtrans-57.1-34.3177.2-61.40000113.1L20 L21 G26 A60 Y66L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 3.3Å; L20-S24 PolarHBondContact O-OG 3.08Å; L21-S24 PolarHBondContact O-N 3.41Å; S24-G26 VanDerWaalsContact C-N 3.34Å; S24-A60 WeakPolarHBondContact CB-O 3.29Å; S24-A60 PolarHBondContact OG-O 2.97Å; S24-Y66 WeakPolarHBondContact O-CE1 3.28Å; S24-Y66 PolarHBondContact O-OH 3.49Å
25R97.1Very high97.1Very high150 Ų15052 Ų5257%0.56628%0.277SS*.THydrogen-bonded Turntrans-83.1-7.6176.7-68.9-170.8-49.1-84.1-7.3114.1L21 A22 V23 D27L21-R25 WeakPolarHBondContact O-CG 3.39Å; L21-R25 PolarHBondContact O-N 2.62Å; L21-R25 VanDerWaalsContact O-N 3.08Å; L21-R25 PolarHBondContact O-NH1 3.32Å; A22-R25 PolarHBondContact O-N 2.93Å; V23-R25 PolarHBondContact O-N 2.85Å; R25-D27 VanDerWaalsContact C-N 3.32Å; R25-D27 IonicContact CZ-OD2 3.25Å; R25-D27 VanDerWaalsContact CZ-OD2 3.25Å; R25-D27 IonicContact NE-OD2 2.79Å; R25-D27 PolarHBondContact NE-OD2 3.5Å; R25-D27 IonicContact NH2-OD2 3.72Å; R25-D27 PolarHBondContact NH2-OD2 3.39Å
26G95.2Very high97.2Very high42 Ų4254 Ų5443%0.43328%0.28SS..THydrogen-bonded Turntrans78.512.5-173.100000114.4A22 V23 S24A22-G26 PolarHBondContact O-N 3.29Å; V23-G26 PolarHBondContact O-N 3.26Å; S24-G26 VanDerWaalsContact C-N 3.34Å
27D96.7Very high97.4Very high113 Ų11351.8 Ų51.860%0.60427%0.27SS*.SBendtrans-82.5-15.1179.5-60.8-33.4000112.7A22 R25A22-D27 HydrophobicContact CB-CB 4.43Å; A22-D27 PolarHBondContact O-N 3.11Å; R25-D27 VanDerWaalsContact C-N 3.32Å; R25-D27 IonicContact CZ-OD2 3.25Å; R25-D27 VanDerWaalsContact CZ-OD2 3.25Å; R25-D27 IonicContact NE-OD2 2.79Å; R25-D27 PolarHBondContact NE-OD2 3.5Å; R25-D27 IonicContact NH2-OD2 3.72Å; R25-D27 PolarHBondContact NH2-OD2 3.39Å
28A97.3Very high97.5Very high36 Ų3646.9 Ų46.930%0.29825%0.254SS..SBendtrans-139.7166.4-175.400000111.8A22 V23A22-A28 HydrophobicContact CB-CB 3.75Å; A22-A28 PolarHBondContact O-N 3.11Å; V23-A28 HydrophobicContact CG2-CB 3.92Å
29V97.8Very high97.6Very high66 Ų6641.3 Ų41.340%0.423%0.228SC..  trans-84.5132.4-178.1-173.40000110.3V23 P70 A71 L72V23-V29 WeakPolarHBondContact CG2-O 3.26Å; V29-P70 HydrophobicContact CG1-CB 4.32Å; V29-P70 HydrophobicContact CG2-CB 4.13Å; V29-P70 HydrophobicContact CG2-CG 4.26Å; V29-A71 VanDerWaalsContact CG1-C 3.47Å; V29-L72 HydrophobicContact CG1-CD2 4.01Å; V29-L72 HydrophobicContact CG1-CG 4.08Å
30A98Very high97.6Very high1 Ų137 Ų371%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-73.7156172.800000111.8V23 I33 V53 P70 A71 L72V23-A30 HydrophobicContact CG1-CB 3.73Å; A30-I33 HydrophobicContact CB-CD1 4.32Å; A30-I33 HydrophobicContact CB-CG1 3.99Å; A30-V53 HydrophobicContact CB-CG1 3.45Å; A30-V53 VanDerWaalsContact CB-CG1 3.45Å; A30-P70 PolarHBondContact N-O 3.22Å; A30-A71 HydrophobicContact CB-CB 4.2Å; A30-A71 CarbonylContact O-C 3.59Å; A30-A71 VanDerWaalsContact O-CA 3.29Å; A30-A71 WeakPolarHBondContact O-CA 3.16Å; A30-L72 PolarHBondContact O-N 3.16Å
31D97.8Very high97.6Very high32 Ų3237.9 Ų37.917%0.17121%0.212CC..EExtended strand (participates in β ladder)trans-76.5-49.7174.1-62.2-26.2000109.6I54 K55 G56 Q73D31-I54 PolarHBondContact N-O 3.19Å; D31-K55 IonicContact OD1-NZ 3.22Å; D31-K55 PolarHBondContact OD1-NZ 2.94Å; D31-K55 WeakPolarHBondContact OD2-CD 3.24Å; D31-K55 IonicContact OD2-NZ 3.89Å; D31-K55 PolarHBondContact OD2-NZ 3.26Å; D31-G56 WeakPolarHBondContact OD2-CA 3.28Å; D31-G56 PolarHBondContact OD2-N 2.89Å; D31-Q73 PolarHBondContact O-N 2.87Å; D31-Q73 VanDerWaalsContact O-N 3.07Å
32Y97.1Very high97.6Very high36 Ų3634.9 Ų34.914%0.14120%0.197CC..EExtended strand (participates in β ladder)trans-126.3143.9172.5-59.1-82.8000111.5I54 Q73 I75 G361 E362 P363Y32-I54 PolarHBondContact N-O 3.3Å; Y32-I54 PolarHBondContact O-N 2.94Å; Y32-Q73 CarbonylContact C-O 3.57Å; Y32-Q73 VanDerWaalsContact CA-O 3.32Å; Y32-Q73 WeakPolarHBondContact CA-O 3.44Å; Y32-Q73 HydrophobicContact CD1-CB 3.83Å; Y32-Q73 HydrophobicContact CD1-CG 4.1Å; Y32-Q73 HydrophobicContact CE1-CB 3.97Å; Y32-Q73 HydrophobicContact CE1-CG 4.13Å; Y32-I75 HydrophobicContact CD1-CD1 3.78Å; Y32-I75 HydrophobicContact CD1-CG1 4.28Å; Y32-I75 HydrophobicContact CE1-CD1 4.46Å; Y32-I75 HydrophobicContact CG-CD1 4.35Å; Y32-G361 WeakPolarHBondContact CD2-O 3.39Å; Y32-E362 PolarHBondContact OH-OE2 2.85Å; Y32-P363 HydrophobicContact CE1-CG 4.22Å
33I98.2Very high97.4Very high0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-122125.8159.8-73.8178.2000108.3A30 P51 I52 V53 A69 A71 Q73 R74 I75A30-I33 HydrophobicContact CB-CD1 4.32Å; A30-I33 HydrophobicContact CB-CG1 3.99Å; I33-P51 HydrophobicContact CG2-CB 3.67Å; I33-I52 WeakPolarHBondContact CA-O 3.33Å; I33-V53 HydrophobicContact CD1-CG1 4.42Å; I33-V53 HydrophobicContact CD1-CG2 4.32Å; I33-V53 HydrophobicContact CG1-CB 4.37Å; I33-V53 HydrophobicContact CG1-CG1 4.05Å; I33-V53 HydrophobicContact CG1-CG2 4.14Å; I33-A69 HydrophobicContact CD1-CB 3.74Å; I33-A69 WeakPolarHBondContact CD1-O 3.47Å; I33-A71 HydrophobicContact CB-CB 3.98Å; I33-A71 HydrophobicContact CD1-CB 3.76Å; I33-A71 HydrophobicContact CG1-CB 3.7Å; I33-Q73 PolarHBondContact N-O 3.12Å; I33-R74 HydrophobicContact CB-CG 4.44Å; I33-R74 CarbonylContact O-C 3.52Å; I33-R74 WeakPolarHBondContact O-CA 3.32Å; I33-I75 PolarHBondContact O-N 3.27Å
34I98.4Very high97.3Very high0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-93.3112.6172.8-54.4175.5000107.9V37 P51 I52 I54 I75 A77 I343 L345 L358I34-V37 HydrophobicContact CG2-CB 4.16Å; I34-V37 HydrophobicContact CG2-CG1 4.14Å; I34-V37 HydrophobicContact CG2-CG2 4.36Å; I34-V37 WeakPolarHBondContact O-CG1 3.48Å; I34-P51 CarbonylContact O-C 3.46Å; I34-P51 WeakPolarHBondContact O-CA 3.43Å; I34-P51 WeakPolarHBondContact O-CB 3.47Å; I34-I52 HydrophobicContact CB-CB 4.24Å; I34-I52 HydrophobicContact CD1-CB 4.48Å; I34-I52 HydrophobicContact CD1-CD1 4.42Å; I34-I52 PolarHBondContact N-O 3.43Å; I34-I52 PolarHBondContact O-N 3.21Å; I34-I54 HydrophobicContact CD1-CD1 3.99Å; I34-I54 HydrophobicContact CG1-CD1 4.32Å; I34-I75 CarbonylContact C-O 2.96Å; I34-I75 WeakPolarHBondContact CA-O 3.41Å; I34-I75 HydrophobicContact CG1-CB 4.43Å; I34-I75 HydrophobicContact CG1-CD1 4.43Å; I34-A77 HydrophobicContact CG2-CB 3.79Å; I34-I343 HydrophobicContact CD1-CD1 3.94Å; I34-I343 HydrophobicContact CD1-CG2 4.49Å; I34-L345 HydrophobicContact CG2-CD1 4.13Å; I34-L345 HydrophobicContact CG2-CD2 4.25Å; I34-L358 HydrophobicContact CD1-CD1 4Å; I34-L358 HydrophobicContact CD1-CD2 4.03Å
35D98.1Very high96.9Very high33 Ų3344 Ų4418%0.17625%0.245CC..EExtended strand (participates in β ladder)trans-98.4167.5-179.5-72.4-58.3000112.6V37 R74 I75 A77D35-V37 VanDerWaalsContact C-N 3.26Å; D35-V37 PolarHBondContact O-N 3.45Å; D35-R74 VanDerWaalsContact CG-NH2 3.26Å; D35-R74 IonicContact OD1-CZ 3.39Å; D35-R74 IonicContact OD1-NE 3.06Å; D35-R74 IonicContact OD1-NH2 3.28Å; D35-R74 PolarHBondContact OD1-NH2 3.19Å; D35-R74 IonicContact OD2-CZ 2.81Å; D35-R74 VanDerWaalsContact OD2-CZ 3.28Å; D35-R74 IonicContact OD2-NE 3.71Å; D35-R74 PolarHBondContact OD2-NE 3.44Å; D35-R74 IonicContact OD2-NH2 3.65Å; D35-R74 PolarHBondContact OD2-NH2 2.96Å; D35-I75 PolarHBondContact N-O 2.75Å; D35-A77 WeakPolarHBondContact O-CB 3.25Å; D35-A77 PolarHBondContact O-N 2.89Å
36N97.2Very high96.8Very high96 Ų9638.8 Ų38.851%0.51324%0.238SC..SBendtrans52.247.6173.4-171.127000112D76 R78 G79N36-D76 VanDerWaalsContact CB-OD1 3.28Å; N36-D76 WeakPolarHBondContact CB-OD1 3.37Å; N36-D76 PolarHBondContact ND2-OD1 2.96Å; N36-R78 WeakPolarHBondContact ND2-CA 3.29Å; N36-G79 PolarHBondContact ND2-N 2.87Å; N36-G79 WeakPolarHBondContact O-CA 3.19Å; N36-G79 PolarHBondContact O-N 2.98Å
37V98.3Very high96.8Very high11 Ų1142.5 Ų42.57%0.06724%0.244CC..  trans-129.8148.3-172.867.40000109.6I34 D35 G50 I52 A77 A80 A82 L345I34-V37 HydrophobicContact CG2-CB 4.16Å; I34-V37 HydrophobicContact CG2-CG1 4.14Å; I34-V37 HydrophobicContact CG2-CG2 4.36Å; I34-V37 WeakPolarHBondContact O-CG1 3.48Å; D35-V37 VanDerWaalsContact C-N 3.26Å; D35-V37 PolarHBondContact O-N 3.45Å; V37-G50 VanDerWaalsContact CG1-O 3.29Å; V37-G50 WeakPolarHBondContact CG1-O 3.25Å; V37-I52 HydrophobicContact CG1-CD1 4.4Å; V37-I52 HydrophobicContact CG1-CG1 4.24Å; V37-I52 HydrophobicContact CG2-CD1 4.49Å; V37-A77 HydrophobicContact CB-CB 3.74Å; V37-A77 HydrophobicContact CG2-CB 4.04Å; V37-A80 WeakPolarHBondContact CA-O 3.4Å; V37-A80 WeakPolarHBondContact CG2-O 3.23Å; V37-A82 HydrophobicContact CG2-CB 3.57Å; V37-L345 HydrophobicContact CG2-CD2 3.99Å
38S97.7Very high96.8Very high19 Ų1940 Ų4013%0.13323%0.23CC..EExtended strand (participates in β ladder)trans-115.3123.7169.9-164.10000109.5E47 A80 T81 A82S38-E47 WeakPolarHBondContact CB-OE2 3.3Å; S38-E47 WeakPolarHBondContact OG-CB 3.33Å; S38-E47 PolarHBondContact OG-OE2 3.19Å; S38-A80 PolarHBondContact N-O 3.2Å; S38-T81 CarbonylContact O-C 3.24Å; S38-T81 VanDerWaalsContact O-CA 3.24Å; S38-T81 WeakPolarHBondContact O-CA 3.35Å; S38-A82 PolarHBondContact O-N 3.26Å
39I98.4Very high96.7Very high3 Ų342.6 Ų42.62%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-89.7125.6-177.8-56.8163.3000108.4D41 E47 I48 I52 V62 A82 L335I39-D41 PolarHBondContact O-N 3.08Å; I39-E47 CarbonylContact O-C 3.01Å; I39-E47 VanDerWaalsContact O-CA 3.25Å; I39-E47 WeakPolarHBondContact O-CA 3.42Å; I39-I48 HydrophobicContact CB-CB 4.2Å; I39-I48 PolarHBondContact N-O 3.43Å; I39-I48 PolarHBondContact O-N 2.92Å; I39-I52 HydrophobicContact CD1-CD1 4.3Å; I39-I52 HydrophobicContact CD1-CG1 3.64Å; I39-I52 HydrophobicContact CG1-CD1 3.95Å; I39-I52 HydrophobicContact CG1-CG1 3.81Å; I39-V62 HydrophobicContact CD1-CB 3.61Å; I39-V62 HydrophobicContact CD1-CG1 3.75Å; I39-V62 HydrophobicContact CD1-CG2 4.49Å; I39-A82 HydrophobicContact CG1-CB 4.49Å; I39-L335 HydrophobicContact CG2-CB 3.88Å; I39-L335 HydrophobicContact CG2-CD1 3.98Å
40L98.2Very high96.6Very high12 Ų1240.3 Ų40.36%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-72.5115.2175.1-169.468.5000110.3L42 E47 T81 A82 V83 L312 Y316L40-L42 HydrophobicContact CB-CD2 4.41Å; L40-L42 HydrophobicContact CD2-CD2 3.76Å; L40-L42 HydrophobicContact CG-CD2 3.93Å; L40-L42 PolarHBondContact O-N 2.86Å; L40-L42 VanDerWaalsContact O-N 3.09Å; L40-E47 HydrophobicContact CD1-CG 4.38Å; L40-T81 HydrophobicContact CB-CG2 4.1Å; L40-A82 PolarHBondContact N-O 3.49Å; L40-V83 HydrophobicContact CB-CG1 3.91Å; L40-V83 HydrophobicContact CD2-CG1 3.85Å; L40-L312 HydrophobicContact CD1-CB 4.42Å; L40-L312 HydrophobicContact CD2-CB 4.37Å; L40-Y316 HydrophobicContact CD2-CD2 3.3Å; L40-Y316 HydrophobicContact CD2-CE2 4.04Å; L40-Y316 HydrophobicContact CD2-CG 3.94Å
41D97Very high96.6Very high26 Ų2640.6 Ų40.614%0.13924%0.238CC..  trans-77.498.3178.6-173.9-16.9000109.9I39 I43 N44 G45 G46 I48I39-D41 PolarHBondContact O-N 3.08Å; D41-I43 PolarHBondContact O-N 2.84Å; D41-I43 WeakPolarHBondContact OD1-CA 3.47Å; D41-I43 WeakPolarHBondContact OD1-CB 3.32Å; D41-I43 PolarHBondContact OD1-N 2.69Å; D41-N44 PolarHBondContact OD1-N 3.3Å; D41-N44 WeakPolarHBondContact OD2-CB 3.4Å; D41-N44 PolarHBondContact OD2-ND2 3.09Å; D41-G45 VanDerWaalsContact O-CA 3.24Å; D41-G45 WeakPolarHBondContact O-CA 3.23Å; D41-G45 PolarHBondContact O-N 2.96Å; D41-G45 VanDerWaalsContact O-N 3.1Å; D41-G46 PolarHBondContact N-O 3.02Å; D41-I48 HydrophobicContact CB-CD1 4.39Å; D41-I48 HydrophobicContact CB-CG1 4.29Å
42L97.3Very high96.7Very high4 Ų439 Ų392%0.02123%0.229CC..THydrogen-bonded Turntrans-73-8.1178.9-55.5-167.1000113.7L40 P84 H313 R317 L334L40-L42 HydrophobicContact CB-CD2 4.41Å; L40-L42 HydrophobicContact CD2-CD2 3.76Å; L40-L42 HydrophobicContact CG-CD2 3.93Å; L40-L42 PolarHBondContact O-N 2.86Å; L40-L42 VanDerWaalsContact O-N 3.09Å; L42-P84 HydrophobicContact CD1-CG 3.59Å; L42-P84 HydrophobicContact CG-CG 4.45Å; L42-H313 HydrophobicContact CD2-CB 4.4Å; L42-R317 PolarHBondContact O-NE 2.99Å; L42-R317 PolarHBondContact O-NH2 2.65Å; L42-L334 HydrophobicContact CB-CD2 3.98Å; L42-L334 HydrophobicContact CD1-CD2 4.33Å; L42-L334 HydrophobicContact CG-CD2 4.47Å
43I94.8Very high96.7Very high84 Ų8437.4 Ų37.443%0.43122%0.223SC..THydrogen-bonded Turntrans-98.6-59.4-177.6-58.6-58000110.4D41 R317 L334D41-I43 PolarHBondContact O-N 2.84Å; D41-I43 WeakPolarHBondContact OD1-CA 3.47Å; D41-I43 WeakPolarHBondContact OD1-CB 3.32Å; D41-I43 PolarHBondContact OD1-N 2.69Å; I43-R317 PolarHBondContact O-NH2 3.26Å; I43-L334 HydrophobicContact CD1-CD1 4.27Å; I43-L334 HydrophobicContact CD1-CD2 4.12Å; I43-L334 HydrophobicContact CG1-CD2 4.26Å
44N94.2Very high96.7Very high137 Ų13737.4 Ų37.473%0.73322%0.223SC*.THydrogen-bonded Turntrans-88.3-12.9-176.6-53.9-67.2000113.1D41D41-N44 PolarHBondContact OD1-N 3.3Å; D41-N44 WeakPolarHBondContact OD2-CB 3.4Å; D41-N44 PolarHBondContact OD2-ND2 3.09Å
45G90.7Very high96.7Very high23 Ų2339.2 Ų39.224%0.23723%0.231CC..SBendtrans75.4153.4-165.600000111.4D41D41-G45 VanDerWaalsContact O-CA 3.24Å; D41-G45 WeakPolarHBondContact O-CA 3.23Å; D41-G45 PolarHBondContact O-N 2.96Å; D41-G45 VanDerWaalsContact O-N 3.1Å
46G94.4Very high96.6Very high41 Ų4139.1 Ų39.142%0.42324%0.238SC..SBendtrans92.9-152-175.800000112.9D41D41-G46 PolarHBondContact N-O 3.02Å
47E96.3Very high96.6Very high119 Ų11938.7 Ų38.756%0.55623%0.229SC*.EExtended strand (participates in β ladder)trans-139.7142.1-168.7-71.3179.3-156.500111.8S38 I39 L40S38-E47 WeakPolarHBondContact CB-OE2 3.3Å; S38-E47 WeakPolarHBondContact OG-CB 3.33Å; S38-E47 PolarHBondContact OG-OE2 3.19Å; I39-E47 CarbonylContact O-C 3.01Å; I39-E47 VanDerWaalsContact O-CA 3.25Å; I39-E47 WeakPolarHBondContact O-CA 3.42Å; L40-E47 HydrophobicContact CD1-CG 4.38Å
48I96.4Very high96.5Very high61 Ų6138.3 Ų38.331%0.31323%0.226SC..EExtended strand (participates in β ladder)trans-104.1117.4171.3-55.9165.7000107.8I39 D41I39-I48 HydrophobicContact CB-CB 4.2Å; I39-I48 PolarHBondContact N-O 3.43Å; I39-I48 PolarHBondContact O-N 2.92Å; D41-I48 HydrophobicContact CB-CD1 4.39Å; D41-I48 HydrophobicContact CB-CG1 4.29Å
49S95.4Very high96.5Very high91 Ų9137.4 Ų37.464%0.63622%0.22SC*.EExtended strand (participates in β ladder)trans-83.6137.8176.1-54.10000111.6
50G95.9Very high96.5Very high17 Ų1737.3 Ų37.318%0.17522%0.219CC..SBendtrans128.5173.9173.200000112.7V37V37-G50 VanDerWaalsContact CG1-O 3.29Å; V37-G50 WeakPolarHBondContact CG1-O 3.25Å
51P97.7Very high96.5Very high7 Ų736.7 Ų36.75%0.04522%0.216CC..  trans-67.2158.8-17424-34.1000114.1I33 I34 V62 G63I33-P51 HydrophobicContact CG2-CB 3.67Å; I34-P51 CarbonylContact O-C 3.46Å; I34-P51 WeakPolarHBondContact O-CA 3.43Å; I34-P51 WeakPolarHBondContact O-CB 3.47Å; P51-V62 CarbonylContact O-C 3.6Å; P51-V62 WeakPolarHBondContact O-CA 3.48Å; P51-G63 VanDerWaalsContact CD-O 3.32Å; P51-G63 WeakPolarHBondContact CD-O 3.43Å; P51-G63 PolarHBondContact O-N 3.25Å
52I98.6Very high96.5Very high0 Ų036.4 Ų36.40%022%0.216CC..EExtended strand (participates in β ladder)trans-106.1123.2165.7-54.9166.1000108I33 I34 V37 I39 I54 I59 V62 A82 L335 I343I33-I52 WeakPolarHBondContact CA-O 3.33Å; I34-I52 HydrophobicContact CB-CB 4.24Å; I34-I52 HydrophobicContact CD1-CB 4.48Å; I34-I52 HydrophobicContact CD1-CD1 4.42Å; I34-I52 PolarHBondContact N-O 3.43Å; I34-I52 PolarHBondContact O-N 3.21Å; V37-I52 HydrophobicContact CG1-CD1 4.4Å; V37-I52 HydrophobicContact CG1-CG1 4.24Å; V37-I52 HydrophobicContact CG2-CD1 4.49Å; I39-I52 HydrophobicContact CD1-CD1 4.3Å; I39-I52 HydrophobicContact CD1-CG1 3.64Å; I39-I52 HydrophobicContact CG1-CD1 3.95Å; I39-I52 HydrophobicContact CG1-CG1 3.81Å; I52-I54 HydrophobicContact CG2-CG1 4.32Å; I52-I59 HydrophobicContact CG2-CG1 4.39Å; I52-I59 HydrophobicContact CG2-CG2 4.11Å; I52-V62 HydrophobicContact CG1-CG1 4.43Å; I52-V62 HydrophobicContact CG2-CG1 4.25Å; I52-A82 HydrophobicContact CD1-CB 3.63Å; I52-L335 HydrophobicContact CD1-CD1 4.31Å; I52-I343 HydrophobicContact CD1-CD1 4.28Å; I52-I343 HydrophobicContact CD1-CG2 4.29Å; I52-I343 HydrophobicContact CG2-CD1 3.89Å
53V98.5Very high96.4Very high1 Ų136.4 Ų36.41%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-100128.4-179.5-1710000109.6V23 A30 I33 I59 A60 G61 Y66V23-V53 HydrophobicContact CG1-CG1 3.63Å; A30-V53 HydrophobicContact CB-CG1 3.45Å; A30-V53 VanDerWaalsContact CB-CG1 3.45Å; I33-V53 HydrophobicContact CD1-CG1 4.42Å; I33-V53 HydrophobicContact CD1-CG2 4.32Å; I33-V53 HydrophobicContact CG1-CB 4.37Å; I33-V53 HydrophobicContact CG1-CG1 4.05Å; I33-V53 HydrophobicContact CG1-CG2 4.14Å; V53-I59 CarbonylContact O-C 3.16Å; V53-I59 WeakPolarHBondContact O-CA 3.27Å; V53-A60 HydrophobicContact CB-CB 4.29Å; V53-A60 HydrophobicContact CG1-CB 4.01Å; V53-A60 PolarHBondContact O-N 3.23Å; V53-G61 PolarHBondContact N-O 2.9Å; V53-G61 PolarHBondContact O-N 3.5Å; V53-Y66 VanDerWaalsContact CG2-CB 3.44Å; V53-Y66 HydrophobicContact CG2-CD1 3.67Å; V53-Y66 HydrophobicContact CG2-CD2 3.98Å; V53-Y66 HydrophobicContact CG2-CE1 4.41Å; V53-Y66 HydrophobicContact CG2-CG 3.42Å; V53-Y66 VanDerWaalsContact CG2-CG 3.42Å
54I98.4Very high96.5Very high0 Ų035.8 Ų35.80%022%0.224CC..EExtended strand (participates in β ladder)trans-121.3133-176.2-57.3172.9000109.6D31 Y32 I34 I52 Y58 A341 I343 L358D31-I54 PolarHBondContact N-O 3.19Å; Y32-I54 PolarHBondContact N-O 3.3Å; Y32-I54 PolarHBondContact O-N 2.94Å; I34-I54 HydrophobicContact CD1-CD1 3.99Å; I34-I54 HydrophobicContact CG1-CD1 4.32Å; I52-I54 HydrophobicContact CG2-CG1 4.32Å; I54-Y58 WeakPolarHBondContact CA-O 3.41Å; I54-A341 HydrophobicContact CD1-CB 4.19Å; I54-A341 HydrophobicContact CG1-CB 4.2Å; I54-A341 HydrophobicContact CG2-CB 3.98Å; I54-I343 HydrophobicContact CD1-CD1 3.87Å; I54-I343 HydrophobicContact CG1-CD1 4.48Å; I54-L358 HydrophobicContact CD1-CD2 3.86Å
55K97.6Very high96.5Very high39 Ų3936.3 Ų36.317%0.1722%0.222CC..EExtended strand (participates in β ladder)trans-132.9120.5171.3178.961-171167.40109.7E19 L20 V23 D31 R57 Y58 A60E19-K55 VanDerWaalsContact OE2-CE 3.24Å; E19-K55 WeakPolarHBondContact OE2-CE 3.5Å; E19-K55 IonicContact OE2-NZ 2.69Å; L20-K55 HydrophobicContact CD1-CB 3.89Å; V23-K55 HydrophobicContact CB-CB 4.27Å; V23-K55 HydrophobicContact CB-CG 4.46Å; V23-K55 HydrophobicContact CG1-CB 4.35Å; V23-K55 HydrophobicContact CG2-CB 4.13Å; V23-K55 HydrophobicContact CG2-CD 3.91Å; V23-K55 HydrophobicContact CG2-CG 3.89Å; D31-K55 IonicContact OD1-NZ 3.22Å; D31-K55 PolarHBondContact OD1-NZ 2.94Å; D31-K55 WeakPolarHBondContact OD2-CD 3.24Å; D31-K55 IonicContact OD2-NZ 3.89Å; D31-K55 PolarHBondContact OD2-NZ 3.26Å; K55-R57 PolarHBondContact O-N 2.82Å; K55-Y58 PolarHBondContact N-O 3.22Å; K55-Y58 PolarHBondContact O-N 2.59Å; K55-Y58 VanDerWaalsContact O-N 3.09Å; K55-A60 HydrophobicContact CB-CB 4.35Å
56G96.2Very high96.7Very high31 Ų3136.9 Ų36.932%0.3222%0.217SC..THydrogen-bonded Turntrans51.9-124.8-16900000110.2D31 Y58D31-G56 WeakPolarHBondContact OD2-CA 3.28Å; D31-G56 PolarHBondContact OD2-N 2.89Å; G56-Y58 VanDerWaalsContact C-N 3.28Å; G56-Y58 PolarHBondContact O-N 3.38Å
57R95.8Very high96.7Very high86 Ų8637 Ų3733%0.32521%0.214SC..THydrogen-bonded Turntrans-82.6-1.3-177.9-58.5178.5-71.6151-0.5114.7H11 E16 K55 Q340 A341 K360H11-R57 PolarHBondContact O-NH2 3.15Å; H11-R57 VanDerWaalsContact O-NH2 3.1Å; E16-R57 IonicContact OE1-CZ 3.93Å; E16-R57 IonicContact OE1-NE 2.7Å; E16-R57 IonicContact OE1-NH2 3.58Å; E16-R57 PolarHBondContact OE1-NH2 2.97Å; E16-R57 IonicContact OE2-NH2 3.93Å; K55-R57 PolarHBondContact O-N 2.82Å; R57-Q340 CarbonylContact O-C 3.54Å; R57-Q340 WeakPolarHBondContact O-CA 3.23Å; R57-A341 PolarHBondContact O-N 3.26Å; R57-K360 VanDerWaalsContact CA-O 3.31Å; R57-K360 WeakPolarHBondContact CA-O 3.46Å; R57-K360 HydrophobicContact CB-CB 4.31Å; R57-K360 HydrophobicContact CG-CB 4.14Å
58Y97.5Very high96.6Very high4 Ų438.9 Ų38.92%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-124.2150.2-161-55-76.6000113.1H10 H11 I12 L20 I54 K55 G56 A60 K339H10-Y58 AromaticContact CD2-CE1 3.95Å; H10-Y58 AromaticContact NE2-CD1 4Å; H10-Y58 AromaticContact NE2-CE1 3.3Å; H10-Y58 VanDerWaalsContact NE2-CE1 3.3Å; H10-Y58 WeakPolarHBondContact NE2-CE1 3.47Å; H11-Y58 PolarHBondContact O-OH 3.2Å; I12-Y58 HydrophobicContact CB-CE2 4.34Å; I12-Y58 HydrophobicContact CD1-CD2 3.75Å; I12-Y58 HydrophobicContact CD1-CE1 4.37Å; I12-Y58 HydrophobicContact CD1-CE2 3.5Å; I12-Y58 HydrophobicContact CD1-CG 4.26Å; I12-Y58 HydrophobicContact CG1-CE2 3.82Å; L20-Y58 HydrophobicContact CD2-CD2 4.33Å; L20-Y58 HydrophobicContact CD2-CG 4.09Å; I54-Y58 WeakPolarHBondContact CA-O 3.41Å; K55-Y58 PolarHBondContact N-O 3.22Å; K55-Y58 PolarHBondContact O-N 2.59Å; K55-Y58 VanDerWaalsContact O-N 3.09Å; G56-Y58 VanDerWaalsContact C-N 3.28Å; G56-Y58 PolarHBondContact O-N 3.38Å; Y58-A60 PolarHBondContact O-N 2.94Å; Y58-K339 CarbonylContact C-O 3.54Å; Y58-K339 VanDerWaalsContact CA-O 3.29Å; Y58-K339 WeakPolarHBondContact CA-O 3.49Å
59I98.2Very high96.5Very high0 Ų036.7 Ų36.70%022%0.219CC..EExtended strand (participates in β ladder)trans-75.3117.9167.2-59.8173000107.7I52 V53 V62 L335 A336 P337 G338 K339 A341 I343I52-I59 HydrophobicContact CG2-CG1 4.39Å; I52-I59 HydrophobicContact CG2-CG2 4.11Å; V53-I59 CarbonylContact O-C 3.16Å; V53-I59 WeakPolarHBondContact O-CA 3.27Å; I59-V62 HydrophobicContact CG2-CG1 3.82Å; I59-L335 HydrophobicContact CD1-CB 4.24Å; I59-L335 HydrophobicContact CD1-CD2 3.96Å; I59-A336 WeakPolarHBondContact CB-O 3.31Å; I59-P337 CarbonylContact O-C 3.53Å; I59-P337 WeakPolarHBondContact O-CA 3.21Å; I59-G338 PolarHBondContact O-N 3.09Å; I59-K339 PolarHBondContact N-O 3.18Å; I59-A341 HydrophobicContact CG1-CB 3.87Å; I59-I343 HydrophobicContact CD1-CD1 4.42Å; I59-I343 HydrophobicContact CG1-CD1 4.5Å
60A97.9Very high96.6Very high0 Ų035.4 Ų35.40%021%0.208CC..EExtended strand (participates in β ladder)trans-83.8-31.6177.100000112.1L20 V23 S24 V53 K55 Y58L20-A60 HydrophobicContact CD1-CB 3.63Å; V23-A60 HydrophobicContact CB-CB 4.18Å; V23-A60 HydrophobicContact CG1-CB 3.72Å; S24-A60 WeakPolarHBondContact CB-O 3.29Å; S24-A60 PolarHBondContact OG-O 2.97Å; V53-A60 HydrophobicContact CB-CB 4.29Å; V53-A60 HydrophobicContact CG1-CB 4.01Å; V53-A60 PolarHBondContact O-N 3.23Å; K55-A60 HydrophobicContact CB-CB 4.35Å; Y58-A60 PolarHBondContact O-N 2.94Å
61G97.6Very high96.7Very high0 Ų035.9 Ų35.90%021%0.211CC..EExtended strand (participates in β ladder)trans-171.5158.2-17100000111.6V53 Y66V53-G61 PolarHBondContact N-O 2.9Å; V53-G61 PolarHBondContact O-N 3.5Å; G61-Y66 VanDerWaalsContact CA-CE2 3.43Å
62V97.4Very high96.7Very high20 Ų2042 Ų4212%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-141.9149.8175.8-64.90000109.2I39 P51 I52 I59I39-V62 HydrophobicContact CD1-CB 3.61Å; I39-V62 HydrophobicContact CD1-CG1 3.75Å; I39-V62 HydrophobicContact CD1-CG2 4.49Å; P51-V62 CarbonylContact O-C 3.6Å; P51-V62 WeakPolarHBondContact O-CA 3.48Å; I52-V62 HydrophobicContact CG1-CG1 4.43Å; I52-V62 HydrophobicContact CG2-CG1 4.25Å; I59-V62 HydrophobicContact CG2-CG1 3.82Å
63G95.9Very high96.6Very high4 Ų446.8 Ų46.84%0.04127%0.265CS..SBendtrans103.7175170.700000115P51 E65 Y66P51-G63 VanDerWaalsContact CD-O 3.32Å; P51-G63 WeakPolarHBondContact CD-O 3.43Å; P51-G63 PolarHBondContact O-N 3.25Å; G63-E65 PolarHBondContact O-N 3.23Å; G63-E65 VanDerWaalsContact O-N 3.15Å; G63-Y66 PolarHBondContact O-N 3.05Å; G63-Y66 VanDerWaalsContact O-N 3.15Å
64A95.1Very high96.5Very high71 Ų7152.3 Ų52.359%0.58729%0.286SS*.G310 helixtrans-62.1-22.8-16900000114.3Y66 A67A64-Y66 PolarHBondContact O-N 3.38Å; A64-Y66 VanDerWaalsContact O-N 3.13Å; A64-A67 WeakPolarHBondContact O-CB 3.44Å; A64-A67 PolarHBondContact O-N 3.05Å
65E94.4Very high96.5Very high147 Ų14753.1 Ų53.169%0.68729%0.29SS*.G310 helixtrans-59.3-19.5174.958.5-97.6-135.100113.8G63G63-E65 PolarHBondContact O-N 3.23Å; G63-E65 VanDerWaalsContact O-N 3.15Å
66Y96.6Very high96.5Very high35 Ų3555.8 Ų55.814%0.13731%0.306CS..G310 helixtrans-101.98.2-179.4-64-76.3000114.3S24 V53 G61 G63 A64 D68 A69S24-Y66 WeakPolarHBondContact O-CE1 3.28Å; S24-Y66 PolarHBondContact O-OH 3.49Å; V53-Y66 VanDerWaalsContact CG2-CB 3.44Å; V53-Y66 HydrophobicContact CG2-CD1 3.67Å; V53-Y66 HydrophobicContact CG2-CD2 3.98Å; V53-Y66 HydrophobicContact CG2-CE1 4.41Å; V53-Y66 HydrophobicContact CG2-CG 3.42Å; V53-Y66 VanDerWaalsContact CG2-CG 3.42Å; G61-Y66 VanDerWaalsContact CA-CE2 3.43Å; G63-Y66 PolarHBondContact O-N 3.05Å; G63-Y66 VanDerWaalsContact O-N 3.15Å; A64-Y66 PolarHBondContact O-N 3.38Å; A64-Y66 VanDerWaalsContact O-N 3.13Å; Y66-D68 PolarHBondContact O-N 3.01Å; Y66-A69 HydrophobicContact CD1-CB 4.18Å; Y66-A69 VanDerWaalsContact O-CB 3.26Å; Y66-A69 WeakPolarHBondContact O-CB 3.33Å; Y66-A69 PolarHBondContact O-N 3.09Å
67A93.7Very high96.5Very high44 Ų4454.3 Ų54.336%0.36429%0.291SS..THydrogen-bonded Turntrans-53.1-42-177.200000113.2A64 R74A64-A67 WeakPolarHBondContact O-CB 3.44Å; A64-A67 PolarHBondContact O-N 3.05Å; A67-R74 PolarHBondContact O-NH1 3.08Å; A67-R74 PolarHBondContact O-NH2 2.95Å
68D93.3Very high96.6Very high159 Ų15958.6 Ų58.685%0.8531%0.307SS*.THydrogen-bonded Turntrans-97.410.4-178.6-60.5-43000113.3Y66Y66-D68 PolarHBondContact O-N 3.01Å
69A95.6Very high96.6Very high15 Ų1560.8 Ų60.812%0.12433%0.331CS..  trans-68.1143.9-178.600000111.7I33 Y66 R74I33-A69 HydrophobicContact CD1-CB 3.74Å; I33-A69 WeakPolarHBondContact CD1-O 3.47Å; Y66-A69 HydrophobicContact CD1-CB 4.18Å; Y66-A69 VanDerWaalsContact O-CB 3.26Å; Y66-A69 WeakPolarHBondContact O-CB 3.33Å; Y66-A69 PolarHBondContact O-N 3.09Å; A69-R74 PolarHBondContact O-NH1 2.64Å
70P96.7Very high96.6Very high63 Ų6360.9 Ų60.941%0.40933%0.332SS..  trans-77.4139.6177.931-33.7000111.5V29 A30V29-P70 HydrophobicContact CG1-CB 4.32Å; V29-P70 HydrophobicContact CG2-CB 4.13Å; V29-P70 HydrophobicContact CG2-CG 4.26Å; A30-P70 PolarHBondContact N-O 3.22Å
71A97.3Very high96.7Very high27 Ų2761.9 Ų61.922%0.22334%0.338CS..EExtended strand (participates in β ladder)trans-137.9153.2174.200000111.7V29 A30 I33 Q73 R74V29-A71 VanDerWaalsContact CG1-C 3.47Å; A30-A71 HydrophobicContact CB-CB 4.2Å; A30-A71 CarbonylContact O-C 3.59Å; A30-A71 VanDerWaalsContact O-CA 3.29Å; A30-A71 WeakPolarHBondContact O-CA 3.16Å; I33-A71 HydrophobicContact CB-CB 3.98Å; I33-A71 HydrophobicContact CD1-CB 3.76Å; I33-A71 HydrophobicContact CG1-CB 3.7Å; A71-Q73 WeakPolarHBondContact CB-O 3.44Å; A71-R74 HydrophobicContact CB-CG 4.11Å
72L97.7Very high96.7Very high135 Ų13561.9 Ų61.971%0.70734%0.338SS*.EExtended strand (participates in β ladder)trans-67.3-41.3168.9-62179.1000110.4V29 A30V29-L72 HydrophobicContact CG1-CD2 4.01Å; V29-L72 HydrophobicContact CG1-CG 4.08Å; A30-L72 PolarHBondContact O-N 3.16Å
73Q97.4Very high96.8Very high102 Ų10261 Ų6148%0.47733%0.332SS..EExtended strand (participates in β ladder)trans-136138.1175.8-172.9171.3-25.500111.4D31 Y32 I33 A71D31-Q73 PolarHBondContact O-N 2.87Å; D31-Q73 VanDerWaalsContact O-N 3.07Å; Y32-Q73 CarbonylContact C-O 3.57Å; Y32-Q73 VanDerWaalsContact CA-O 3.32Å; Y32-Q73 WeakPolarHBondContact CA-O 3.44Å; Y32-Q73 HydrophobicContact CD1-CB 3.83Å; Y32-Q73 HydrophobicContact CD1-CG 4.1Å; Y32-Q73 HydrophobicContact CE1-CB 3.97Å; Y32-Q73 HydrophobicContact CE1-CG 4.13Å; I33-Q73 PolarHBondContact N-O 3.12Å; A71-Q73 WeakPolarHBondContact CB-O 3.44Å
74R97.1Very high96.9Very high117 Ų11760.9 Ų60.944%0.44233%0.331SS..EExtended strand (participates in β ladder)trans-110.6133.9172.1-61.1-175.178.1133.7-2.8109.6I33 D35 A67 A69 A71I33-R74 HydrophobicContact CB-CG 4.44Å; I33-R74 CarbonylContact O-C 3.52Å; I33-R74 WeakPolarHBondContact O-CA 3.32Å; D35-R74 VanDerWaalsContact CG-NH2 3.26Å; D35-R74 IonicContact OD1-CZ 3.39Å; D35-R74 IonicContact OD1-NE 3.06Å; D35-R74 IonicContact OD1-NH2 3.28Å; D35-R74 PolarHBondContact OD1-NH2 3.19Å; D35-R74 IonicContact OD2-CZ 2.81Å; D35-R74 VanDerWaalsContact OD2-CZ 3.28Å; D35-R74 IonicContact OD2-NE 3.71Å; D35-R74 PolarHBondContact OD2-NE 3.44Å; D35-R74 IonicContact OD2-NH2 3.65Å; D35-R74 PolarHBondContact OD2-NH2 2.96Å; A67-R74 PolarHBondContact O-NH1 3.08Å; A67-R74 PolarHBondContact O-NH2 2.95Å; A69-R74 PolarHBondContact O-NH1 2.64Å; A71-R74 HydrophobicContact CB-CG 4.11Å
75I96.8Very high97.1Very high17 Ų1757.6 Ų57.69%0.08730%0.304CS..EExtended strand (participates in β ladder)trans-112.5115179.9-59172.2000107.3Y32 I33 I34 D35 A77 L358 P363Y32-I75 HydrophobicContact CD1-CD1 3.78Å; Y32-I75 HydrophobicContact CD1-CG1 4.28Å; Y32-I75 HydrophobicContact CE1-CD1 4.46Å; Y32-I75 HydrophobicContact CG-CD1 4.35Å; I33-I75 PolarHBondContact O-N 3.27Å; I34-I75 CarbonylContact C-O 2.96Å; I34-I75 WeakPolarHBondContact CA-O 3.41Å; I34-I75 HydrophobicContact CG1-CB 4.43Å; I34-I75 HydrophobicContact CG1-CD1 4.43Å; D35-I75 PolarHBondContact N-O 2.75Å; I75-A77 PolarHBondContact O-N 2.95Å; I75-L358 HydrophobicContact CD1-CD2 4.35Å; I75-P363 HydrophobicContact CD1-CG 4.12Å
76D97.5Very high97.3Very high95 Ų9550.7 Ų50.751%0.50827%0.272SS..EExtended strand (participates in β ladder)trans-79.3112.7171.9178.16.9000109.6N36 R78N36-D76 VanDerWaalsContact CB-OD1 3.28Å; N36-D76 WeakPolarHBondContact CB-OD1 3.37Å; N36-D76 PolarHBondContact ND2-OD1 2.96Å; D76-R78 PolarHBondContact O-N 2.88Å; D76-R78 WeakPolarHBondContact OD1-CA 3.43Å; D76-R78 PolarHBondContact OD1-N 3.41Å
77A98Very high97.4Very high0 Ų049.1 Ų49.10%027%0.266CS..  trans-77.4-5179.700000113.4I34 D35 V37 I75 G79 A80 L345 Q355I34-A77 HydrophobicContact CG2-CB 3.79Å; D35-A77 WeakPolarHBondContact O-CB 3.25Å; D35-A77 PolarHBondContact O-N 2.89Å; V37-A77 HydrophobicContact CB-CB 3.74Å; V37-A77 HydrophobicContact CG2-CB 4.04Å; I75-A77 PolarHBondContact O-N 2.95Å; A77-G79 VanDerWaalsContact C-N 3.31Å; A77-G79 PolarHBondContact O-N 2.95Å; A77-A80 HydrophobicContact CB-CB 4.17Å; A77-A80 WeakPolarHBondContact O-CB 3.49Å; A77-A80 PolarHBondContact O-N 2.84Å; A77-A80 VanDerWaalsContact O-N 3.13Å; A77-L345 HydrophobicContact CB-CD1 4.06Å; A77-Q355 PolarHBondContact O-NE2 3.1Å
78R97.6Very high97.7Very high175 Ų17547 Ų4766%0.6625%0.248SC*.THydrogen-bonded Turntrans57.737.9175.7-58.6178.9-66.9-157.2-4113.8N36 D76 A80N36-R78 WeakPolarHBondContact ND2-CA 3.29Å; D76-R78 PolarHBondContact O-N 2.88Å; D76-R78 WeakPolarHBondContact OD1-CA 3.43Å; D76-R78 PolarHBondContact OD1-N 3.41Å; R78-A80 VanDerWaalsContact C-N 3.33Å
79G97.4Very high97.9Very high51 Ų5139.4 Ų39.453%0.52621%0.208SC..THydrogen-bonded Turntrans78.913.4-179.400000114.1N36 A77N36-G79 PolarHBondContact ND2-N 2.87Å; N36-G79 WeakPolarHBondContact O-CA 3.19Å; N36-G79 PolarHBondContact O-N 2.98Å; A77-G79 VanDerWaalsContact C-N 3.31Å; A77-G79 PolarHBondContact O-N 2.95Å
80A98.3Very high98.1Very high2 Ų238.8 Ų38.82%0.01720%0.202CC..PPolyproline II helixtrans-63.6153.8177.700000112.4V37 S38 A77 R78 L345 L346V37-A80 WeakPolarHBondContact CA-O 3.4Å; V37-A80 WeakPolarHBondContact CG2-O 3.23Å; S38-A80 PolarHBondContact N-O 3.2Å; A77-A80 HydrophobicContact CB-CB 4.17Å; A77-A80 WeakPolarHBondContact O-CB 3.49Å; A77-A80 PolarHBondContact O-N 2.84Å; A77-A80 VanDerWaalsContact O-N 3.13Å; R78-A80 VanDerWaalsContact C-N 3.33Å; A80-L345 HydrophobicContact CB-CB 4.2Å; A80-L346 CarbonylContact C-O 3.52Å; A80-L346 VanDerWaalsContact CA-O 3.27Å; A80-L346 WeakPolarHBondContact CA-O 3.27Å; A80-L346 VanDerWaalsContact CB-O 3.28Å; A80-L346 WeakPolarHBondContact CB-O 3.42Å
81T98.6Very high98.1Very high21 Ų2135.9 Ų35.913%0.12918%0.183CC..EExtended strand (participates in β ladder)trans-87.9126.2167.1-52.20000109.2S38 L40 V83 L346 A349S38-T81 CarbonylContact O-C 3.24Å; S38-T81 VanDerWaalsContact O-CA 3.24Å; S38-T81 WeakPolarHBondContact O-CA 3.35Å; L40-T81 HydrophobicContact CB-CG2 4.1Å; T81-V83 HydrophobicContact CG2-CG1 4.37Å; T81-L346 PolarHBondContact N-O 2.81Å; T81-L346 PolarHBondContact O-N 3.36Å; T81-A349 HydrophobicContact CG2-CB 4.1Å
82A98.8Very high98.2Very high0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-90.3130.7172.100000110.8V37 S38 I39 L40 I52 L335 I343 V344 L345V37-A82 HydrophobicContact CG2-CB 3.57Å; S38-A82 PolarHBondContact O-N 3.26Å; I39-A82 HydrophobicContact CG1-CB 4.49Å; L40-A82 PolarHBondContact N-O 3.49Å; I52-A82 HydrophobicContact CD1-CB 3.63Å; A82-L335 HydrophobicContact CB-CD1 3.62Å; A82-I343 HydrophobicContact CB-CG2 4.14Å; A82-V344 WeakPolarHBondContact CA-O 3.27Å; A82-L345 HydrophobicContact CB-CD2 3.78Å
83V98.8Very high98.2Very high0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-128.1158.6172.4-58.80000109.6L40 T81 F86 Y316 V344 L346L40-V83 HydrophobicContact CB-CG1 3.91Å; L40-V83 HydrophobicContact CD2-CG1 3.85Å; T81-V83 HydrophobicContact CG2-CG1 4.37Å; V83-F86 HydrophobicContact CG2-CE1 3.79Å; V83-F86 HydrophobicContact CG2-CZ 4.41Å; V83-Y316 HydrophobicContact CB-CD1 3.95Å; V83-Y316 HydrophobicContact CB-CE1 4.28Å; V83-Y316 HydrophobicContact CB-CG 4.29Å; V83-Y316 HydrophobicContact CG1-CD1 3.94Å; V83-Y316 HydrophobicContact CG1-CD2 4.1Å; V83-Y316 HydrophobicContact CG1-CE1 4.07Å; V83-Y316 HydrophobicContact CG1-CE2 4.23Å; V83-Y316 HydrophobicContact CG1-CG 3.98Å; V83-Y316 HydrophobicContact CG2-CD1 3.89Å; V83-Y316 HydrophobicContact CG2-CE1 3.85Å; V83-V344 HydrophobicContact CG2-CB 3.88Å; V83-V344 HydrophobicContact CG2-CG1 4.42Å; V83-V344 PolarHBondContact N-O 3.32Å; V83-V344 PolarHBondContact O-N 3.44Å; V83-L346 HydrophobicContact CG1-CD1 4Å; V83-L346 HydrophobicContact CG2-CD1 3.7Å; V83-L346 HydrophobicContact CG2-CG 4.17Å
84P98.8Very high98.2Very high3 Ų323.8 Ų23.82%0.01912%0.118CC..EExtended strand (participates in β ladder)trans-61152.9171.6-18.631.9000111.2L42 G333 L335L42-P84 HydrophobicContact CD1-CG 3.59Å; L42-P84 HydrophobicContact CG-CG 4.45Å; P84-G333 WeakPolarHBondContact CG-O 3.45Å; P84-L335 HydrophobicContact CB-CD2 4.47Å; P84-L335 HydrophobicContact CG-CD2 4.5Å; P84-L335 HydrophobicContact CG-CG 4.1Å
85G98.9Very high98.1Very high2 Ų218.5 Ų18.52%0.02110%0.1CC..PPolyproline II helixtrans-50.7138.3169.100000112.9T113 S320 D342G85-T113 WeakPolarHBondContact CA-OG1 3.38Å; G85-S320 WeakPolarHBondContact O-CB 3.43Å; G85-D342 PolarHBondContact N-O 2.82Å
86F98.9Very high98.1Very high2 Ų217.8 Ų17.81%0.00910%0.096CC..EExtended strand (participates in β ladder)trans-71.8146.3179.5-47.3-30.8000109.7V83 R110 G111 L112 T113 T114 I297 D298 I301 Y316 V344 L346 V352V83-F86 HydrophobicContact CG2-CE1 3.79Å; V83-F86 HydrophobicContact CG2-CZ 4.41Å; F86-R110 WeakPolarHBondContact CE2-O 3.43Å; F86-G111 WeakPolarHBondContact CB-O 3.43Å; F86-G111 WeakPolarHBondContact CD2-O 3.26Å; F86-G111 WeakPolarHBondContact CG-O 3.36Å; F86-G111 PolarHBondContact N-O 3.09Å; F86-L112 HydrophobicContact CB-CD1 4.47Å; F86-T113 PolarHBondContact O-N 2.87Å; F86-T113 PolarHBondContact O-OG1 3.12Å; F86-T114 PolarHBondContact O-N 2.87Å; F86-I297 HydrophobicContact CB-CB 4.27Å; F86-I297 HydrophobicContact CB-CG2 3.86Å; F86-I297 HydrophobicContact CG-CG2 4.39Å; F86-D298 HydrophobicContact CD2-CB 4.24Å; F86-D298 HydrophobicContact CE2-CB 3.88Å; F86-I301 HydrophobicContact CD1-CD1 3.57Å; F86-I301 HydrophobicContact CD2-CD1 4.11Å; F86-I301 HydrophobicContact CE1-CD1 3.65Å; F86-I301 HydrophobicContact CE2-CD1 4.16Å; F86-I301 HydrophobicContact CG-CD1 3.83Å; F86-I301 HydrophobicContact CZ-CD1 3.95Å; F86-Y316 AromaticContact CE1-CD1 3.83Å; F86-Y316 HydrophobicContact CE1-CD1 3.83Å; F86-Y316 AromaticContact CE1-CE1 3.64Å; F86-Y316 HydrophobicContact CE1-CE1 3.64Å; F86-Y316 HydrophobicContact CZ-CE1 4.03Å; F86-V344 HydrophobicContact CE1-CG2 4.45Å; F86-V344 HydrophobicContact CZ-CB 4.47Å; F86-V344 HydrophobicContact CZ-CG1 4.05Å; F86-V344 HydrophobicContact CZ-CG2 4.5Å; F86-L346 HydrophobicContact CZ-CD2 4.48Å; F86-V352 HydrophobicContact CE2-CG1 3.95Å; F86-V352 HydrophobicContact CZ-CG1 3.7Å
87I98.9Very high98.1Very high1 Ų113.8 Ų13.81%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-126.9122.2-179-47.9-171.1000108.4T114 A319 S320 T323 A324 L332I87-T114 WeakPolarHBondContact CA-O 3.28Å; I87-T114 HydrophobicContact CG1-CG2 4.48Å; I87-T114 HydrophobicContact CG2-CG2 3.81Å; I87-A319 PolarHBondContact N-O 3.35Å; I87-S320 WeakPolarHBondContact CD1-O 3.23Å; I87-T323 HydrophobicContact CB-CG2 4.05Å; I87-T323 HydrophobicContact CG2-CG2 3.43Å; I87-T323 VanDerWaalsContact CG2-CG2 3.43Å; I87-A324 HydrophobicContact CD1-CB 3.77Å; I87-L332 HydrophobicContact CD1-CB 4.34Å
88D98.8Very high98.1Very high0 Ų013.8 Ų13.80%07%0.074CC..EExtended strand (participates in β ladder)trans-84.6120.4165.9-160.7-49.3000109.6H90 L91 L112 T114 V115 I116 C282 T283 H296 I297D88-H90 PolarHBondContact OD1-N 3.23Å; D88-L91 HydrophobicContact CB-CD2 3.68Å; D88-L112 HydrophobicContact CB-CD1 3.97Å; D88-T114 PolarHBondContact N-O 2.89Å; D88-T114 VanDerWaalsContact N-O 3.09Å; D88-V115 HydrophobicContact CB-CG1 4.26Å; D88-I116 PolarHBondContact O-N 3.06Å; D88-C282 VanDerWaalsContact OD1-CA 3.23Å; D88-C282 WeakPolarHBondContact OD1-CA 3.27Å; D88-C282 WeakPolarHBondContact OD1-CB 3.3Å; D88-T283 PolarHBondContact OD1-N 3.16Å; D88-T283 WeakPolarHBondContact OD2-CG2 3.29Å; D88-T283 PolarHBondContact OD2-N 3.46Å; D88-T283 VanDerWaalsContact OD2-N 3.12Å; D88-T283 PolarHBondContact OD2-OG1 2.96Å; D88-T283 VanDerWaalsContact OD2-OG1 3.11Å; D88-H296 IonicContact OD2-CE1 2.98Å; D88-H296 PolarHBondContact OD2-CE1 3.49Å; D88-H296 IonicContact OD2-ND1 3.45Å; D88-H296 PolarHBondContact OD2-ND1 3.04Å; D88-I297 HydrophobicContact CB-CD1 4.13Å; D88-I297 HydrophobicContact CB-CG1 3.85Å; D88-I297 VanDerWaalsContact OD2-CD1 3.25Å; D88-I297 WeakPolarHBondContact OD2-CD1 3.42Å
89A98.6Very high98.1Very high0 Ų05.5 Ų5.50%04%0.043CC..EExtended strand (participates in β ladder)trans-78.3-18.7-173.900000114.4M254 M280 L281 C282 T323 F327A89-M254 HydrophobicContact CB-CE 4.34Å; A89-M254 HydrophobicContact CB-CG 4.33Å; A89-M280 HydrophobicContact CB-CB 3.76Å; A89-M280 HydrophobicContact CB-CG 4.41Å; A89-M280 HydrophobicContact CB-SD 4.03Å; A89-L281 VanDerWaalsContact CB-O 3.26Å; A89-L281 WeakPolarHBondContact CB-O 3.44Å; A89-L281 PolarHBondContact N-O 2.94Å; A89-C282 HydrophobicContact CB-CB 4.32Å; A89-T323 HydrophobicContact CB-CG2 3.48Å; A89-T323 VanDerWaalsContact CB-CG2 3.48Å; A89-F327 HydrophobicContact CB-CE2 4.17Å; A89-F327 WeakPolarHBondContact O-CE2 3.28Å; A89-F327 VanDerWaalsContact O-CZ 3.26Å; A89-F327 WeakPolarHBondContact O-CZ 3.25Å
90H98.5Very high98.2Very high2 Ų23.1 Ų3.11%0.0092%0.018CC..EExtended strand (participates in β ladder)trans-165.5117.4-178.717992.8000109.8D88 H92 E185 H235 M254 C282 D284D88-H90 PolarHBondContact OD1-N 3.23Å; H90-H92 AromaticContact CE1-CE1 3.82Å; H90-H92 AromaticContact CE1-NE2 3.88Å; H90-H92 AromaticContact NE2-CE1 3.48Å; H90-H92 PolarHBondContact NE2-CE1 3.39Å; H90-H92 AromaticContact NE2-NE2 3.1Å; H90-H92 PolarHBondContact NE2-NE2 3.3Å; H90-H92 VanDerWaalsContact NE2-NE2 3.1Å; H90-E185 IonicContact CE1-OE1 3.74Å; H90-E185 PolarHBondContact CE1-OE1 3.01Å; H90-E185 IonicContact NE2-OE1 3.11Å; H90-E185 PolarHBondContact NE2-OE1 2.89Å; H90-H235 AromaticContact CD2-CE1 3.83Å; H90-H235 AromaticContact CD2-CG 3.96Å; H90-H235 AromaticContact CD2-ND1 3.56Å; H90-H235 AromaticContact CE1-CE1 3.41Å; H90-H235 PolarHBondContact CE1-CE1 2.91Å; H90-H235 VanDerWaalsContact CE1-CE1 3.41Å; H90-H235 AromaticContact CE1-ND1 3.61Å; H90-H235 AromaticContact CG-ND1 3.6Å; H90-H235 AromaticContact ND1-CE1 3.89Å; H90-H235 AromaticContact ND1-ND1 3.62Å; H90-H235 AromaticContact NE2-CE1 3.35Å; H90-H235 PolarHBondContact NE2-CE1 2.98Å; H90-H235 AromaticContact NE2-ND1 3.56Å; H90-H235 AromaticContact NE2-NE2 3.95Å; H90-M254 HydrophobicContact CB-SD 3.82Å; H90-C282 HydrophobicContact CB-CB 3.86Å; H90-C282 VanDerWaalsContact O-CB 3.29Å; H90-C282 WeakPolarHBondContact O-CB 3.49Å; H90-D284 IonicContact CD2-OD1 3.61Å; H90-D284 PolarHBondContact CD2-OD1 2.9Å; H90-D284 IonicContact NE2-OD1 3.16Å; H90-D284 PolarHBondContact NE2-OD1 2.82Å; H90-D284 WeakPolarHBondContact O-CA 3.37Å; H90-D284 PolarHBondContact O-N 3.34Å
91L98.2Very high98.2Very high1 Ų13.5 Ų3.51%0.0052%0.02CC..EExtended strand (participates in β ladder)trans-152.5167172.870.7149000112.5D88 I93 F103 V115 I116 C117 D118D88-L91 HydrophobicContact CB-CD2 3.68Å; L91-I93 HydrophobicContact CD1-CG1 3.93Å; L91-F103 HydrophobicContact CD1-CE1 4.09Å; L91-F103 HydrophobicContact CD1-CE2 3.97Å; L91-F103 HydrophobicContact CD1-CZ 3.44Å; L91-F103 VanDerWaalsContact CD1-CZ 3.44Å; L91-V115 HydrophobicContact CD1-CG1 4.34Å; L91-V115 HydrophobicContact CD2-CB 3.58Å; L91-V115 HydrophobicContact CD2-CG1 3.87Å; L91-I116 WeakPolarHBondContact CD2-O 3.41Å; L91-I116 PolarHBondContact N-O 2.76Å; L91-C117 WeakPolarHBondContact O-CA 3.48Å; L91-D118 PolarHBondContact O-N 2.69Å
92H97.9Very high98.1Very high5 Ų52.5 Ų2.52%0.0231%0.014CC..  trans-117.6110.8168.7-48.1-65.7000108H90 E94 S95 D118 H120 E121 E185 D284 D285H90-H92 AromaticContact CE1-CE1 3.82Å; H90-H92 AromaticContact CE1-NE2 3.88Å; H90-H92 AromaticContact NE2-CE1 3.48Å; H90-H92 PolarHBondContact NE2-CE1 3.39Å; H90-H92 AromaticContact NE2-NE2 3.1Å; H90-H92 PolarHBondContact NE2-NE2 3.3Å; H90-H92 VanDerWaalsContact NE2-NE2 3.1Å; H92-E94 PolarHBondContact O-N 2.9Å; H92-S95 PolarHBondContact O-N 3.08Å; H92-D118 PolarHBondContact ND1-O 3.28Å; H92-H120 AromaticContact CE1-CE1 3.04Å; H92-H120 PolarHBondContact CE1-CE1 2.95Å; H92-H120 AromaticContact CE1-ND1 3.49Å; H92-H120 PolarHBondContact CE1-ND1 3Å; H92-H120 AromaticContact CE1-NE2 3.72Å; H92-H120 AromaticContact ND1-CE1 3.55Å; H92-H120 AromaticContact ND1-ND1 3.88Å; H92-H120 AromaticContact ND1-NE2 3.84Å; H92-H120 AromaticContact NE2-CE1 3.61Å; H92-E121 HydrophobicContact CB-CG 4.13Å; H92-E121 IonicContact CG-OE1 3.8Å; H92-E185 IonicContact CE1-OE1 3.26Å; H92-E185 PolarHBondContact CE1-OE1 3.27Å; H92-E185 IonicContact NE2-OE1 2.63Å; H92-E185 PolarHBondContact NE2-OE1 3.05Å; H92-D284 IonicContact CD2-OD1 3.84Å; H92-D284 PolarHBondContact CD2-OD1 2.77Å; H92-D284 VanDerWaalsContact CD2-OD1 3.32Å; H92-D284 PolarHBondContact N-O 2.63Å; H92-D284 IonicContact NE2-OD1 2.61Å; H92-D284 PolarHBondContact NE2-OD1 3.13Å; H92-D285 IonicContact CD2-OD1 3.38Å; H92-D285 PolarHBondContact CD2-OD1 2.9Å; H92-D285 IonicContact CG-OD1 3.54Å
93I98.2Very high98.1Very high1 Ų12.6 Ų2.61%0.0052%0.015CC..G310 helixtrans-62.6-32.2178.4-69.8174.8000109.6L91 S95 S96 P100 F103 C117 F134L91-I93 HydrophobicContact CD1-CG1 3.93Å; I93-S95 PolarHBondContact O-N 3.09Å; I93-S96 WeakPolarHBondContact O-CA 3.18Å; I93-S96 VanDerWaalsContact O-CB 3.29Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 2.79Å; I93-S96 PolarHBondContact O-OG 3.42Å; I93-P100 HydrophobicContact CD1-CB 4.04Å; I93-P100 HydrophobicContact CD1-CG 4.26Å; I93-P100 HydrophobicContact CG2-CG 4.2Å; I93-F103 HydrophobicContact CD1-CD1 4.18Å; I93-F103 HydrophobicContact CD1-CG 4.45Å; I93-F103 HydrophobicContact CG1-CD1 4.17Å; I93-F103 HydrophobicContact CG1-CD2 4.39Å; I93-F103 HydrophobicContact CG1-CE1 4.41Å; I93-F103 HydrophobicContact CG1-CG 4.16Å; I93-F103 HydrophobicContact CG2-CB 3.86Å; I93-F103 HydrophobicContact CG2-CD2 4.28Å; I93-F103 HydrophobicContact CG2-CG 4.07Å; I93-C117 HydrophobicContact CD1-CB 4.49Å; I93-F134 HydrophobicContact CB-CE1 3.99Å; I93-F134 HydrophobicContact CB-CZ 4.32Å; I93-F134 HydrophobicContact CD1-CE1 4.29Å
94E97.9Very high98.1Very high4 Ų42.8 Ų2.82%0.0192%0.015CC..G310 helixtrans-56.9-35177.3-59.898.3127.300112.9H92 S96 M97 P119 E121 I122 F134 M522H92-E94 PolarHBondContact O-N 2.9Å; E94-S96 PolarHBondContact O-N 2.76Å; E94-M97 WeakPolarHBondContact O-CA 3.09Å; E94-M97 PolarHBondContact O-N 2.95Å; E94-P119 WeakPolarHBondContact OE1-CA 3.21Å; E94-E121 HydrophobicContact CB-CB 3.66Å; E94-E121 HydrophobicContact CB-CG 3.75Å; E94-E121 HydrophobicContact CG-CB 3.77Å; E94-E121 HydrophobicContact CG-CG 4.19Å; E94-E121 PolarHBondContact OE1-N 2.77Å; E94-I122 HydrophobicContact CG-CB 4.35Å; E94-I122 PolarHBondContact OE1-N 3.21Å; E94-F134 VanDerWaalsContact CD-CZ 3.42Å; E94-F134 HydrophobicContact CG-CE2 4.34Å; E94-F134 HydrophobicContact CG-CZ 3.8Å; E94-F134 WeakPolarHBondContact OE2-CZ 3.45Å; E94-M522 HydrophobicContact CB-CE 4.27Å; E94-M522 HydrophobicContact CB-CG 4.33Å; E94-M522 HydrophobicContact CB-SD 4.27Å; E94-M522 HydrophobicContact CG-CE 3.47Å; E94-M522 VanDerWaalsContact CG-CE 3.47Å; E94-M522 HydrophobicContact CG-CG 4.46Å; E94-M522 HydrophobicContact CG-SD 3.82Å
95S95.7Very high98Very high7 Ų73 Ų35%0.0492%0.017CC..G310 helixtrans-69.6-17.6177.4-59.20000113.1H92 I93 M97 D285 R286H92-S95 PolarHBondContact O-N 3.08Å; I93-S95 PolarHBondContact O-N 3.09Å; S95-M97 VanDerWaalsContact C-N 3.25Å; S95-D285 VanDerWaalsContact CB-OD1 3.25Å; S95-D285 WeakPolarHBondContact CB-OD1 3.36Å; S95-D285 PolarHBondContact OG-OD1 2.63Å; S95-R286 CarbonylContact C-O 3.57Å
96S95.8Very high97.9Very high1 Ų13.9 Ų3.91%0.0072%0.024CC..G310 helixtrans-80.5-0.216682.10000113.1I93 E94 M98 F103 R286 P288I93-S96 WeakPolarHBondContact O-CA 3.18Å; I93-S96 VanDerWaalsContact O-CB 3.29Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 2.79Å; I93-S96 PolarHBondContact O-OG 3.42Å; E94-S96 PolarHBondContact O-N 2.76Å; S96-M98 WeakPolarHBondContact O-CG 3.39Å; S96-M98 PolarHBondContact O-N 3.44Å; S96-M98 WeakPolarHBondContact OG-CB 3.48Å; S96-M98 PolarHBondContact OG-N 2.93Å; S96-F103 WeakPolarHBondContact OG-CD2 3.46Å; S96-R286 WeakPolarHBondContact CA-O 3.22Å; S96-R286 WeakPolarHBondContact CB-O 3.24Å; S96-R286 PolarHBondContact N-O 3.1Å; S96-P288 WeakPolarHBondContact O-CD 3.07Å; S96-P288 WeakPolarHBondContact O-CG 3.33Å
97M97.6Very high97.9Very high12 Ų123.8 Ų3.86%0.0592%0.023CC..THydrogen-bonded Turntrans55.24.8-177.1-53.5174.3-16500114.9E94 S95 P288 L502 L514 L516 M522 S523 I534E94-M97 WeakPolarHBondContact O-CA 3.09Å; E94-M97 PolarHBondContact O-N 2.95Å; S95-M97 VanDerWaalsContact C-N 3.25Å; M97-P288 HydrophobicContact CB-CG 4.14Å; M97-L502 HydrophobicContact CE-CD1 3.77Å; M97-L502 HydrophobicContact SD-CD1 4.16Å; M97-L514 HydrophobicContact SD-CD2 3.85Å; M97-L516 HydrophobicContact CB-CD2 4.01Å; M97-L516 HydrophobicContact CG-CD2 4.32Å; M97-L516 HydrophobicContact SD-CD2 4.49Å; M97-M522 CarbonylContact O-C 3.54Å; M97-M522 WeakPolarHBondContact O-CA 3.36Å; M97-S523 PolarHBondContact O-N 3.33Å; M97-I534 HydrophobicContact CE-CD1 4.47Å; M97-I534 HydrophobicContact SD-CD1 3.94Å; M97-I534 HydrophobicContact SD-CG1 4.49Å
98M97.7Very high97.8Very high0 Ų03.7 Ų3.70%02%0.023CC..BIsolated β-bridgetrans-98.2153.4179.5-66.9175.4-151.100109.8S96 T102 F103 A106 P288 M522 A527 L530S96-M98 WeakPolarHBondContact O-CG 3.39Å; S96-M98 PolarHBondContact O-N 3.44Å; S96-M98 WeakPolarHBondContact OG-CB 3.48Å; S96-M98 PolarHBondContact OG-N 2.93Å; M98-T102 HydrophobicContact CB-CG2 4.07Å; M98-T102 HydrophobicContact CG-CG2 3.86Å; M98-T102 HydrophobicContact SD-CG2 3.97Å; M98-F103 HydrophobicContact CB-CB 4.3Å; M98-A106 HydrophobicContact SD-CB 4.08Å; M98-P288 HydrophobicContact CE-CB 3.49Å; M98-P288 VanDerWaalsContact CE-CB 3.49Å; M98-P288 HydrophobicContact CE-CG 4.01Å; M98-M522 WeakPolarHBondContact O-CG 3.46Å; M98-A527 HydrophobicContact CE-CB 3.48Å; M98-A527 VanDerWaalsContact CE-CB 3.48Å; M98-A527 HydrophobicContact SD-CB 3.72Å; M98-L530 HydrophobicContact CG-CD1 3.71Å
99T98.4Very high97.8Very high0 Ų05.6 Ų5.60%04%0.035CC..  trans-66.6157.8162.3720000111.1V101 T102 F103 W133 L377 I518 S523 T524T99-V101 PolarHBondContact O-N 2.89Å; T99-V101 VanDerWaalsContact O-N 3.09Å; T99-V101 PolarHBondContact OG1-N 3.15Å; T99-T102 PolarHBondContact O-N 3.37Å; T99-T102 PolarHBondContact OG1-N 2.68Å; T99-T102 PolarHBondContact OG1-OG1 2.97Å; T99-F103 WeakPolarHBondContact O-CB 3.49Å; T99-F103 PolarHBondContact O-N 3.45Å; T99-W133 HydrophobicContact CG2-CH2 4.05Å; T99-W133 HydrophobicContact CG2-CZ2 4.2Å; T99-L377 HydrophobicContact CG2-CD1 3.77Å; T99-I518 HydrophobicContact CG2-CD1 3.58Å; T99-S523 WeakPolarHBondContact CG2-O 3.45Å; T99-T524 HydrophobicContact CG2-CG2 4.45Å
100P98.5Very high97.7Very high1 Ų19.3 Ų9.31%0.0065%0.049CC..Hα-helixtrans-54.7-28.7173-2835.4000114.7I93 E104 F134 C137 Q145I93-P100 HydrophobicContact CD1-CB 4.04Å; I93-P100 HydrophobicContact CD1-CG 4.26Å; I93-P100 HydrophobicContact CG2-CG 4.2Å; P100-E104 WeakPolarHBondContact O-CB 3.21Å; P100-E104 PolarHBondContact O-N 3.31Å; P100-F134 HydrophobicContact CG-CD1 4.05Å; P100-F134 HydrophobicContact CG-CD2 4.44Å; P100-F134 HydrophobicContact CG-CE1 3.83Å; P100-F134 HydrophobicContact CG-CE2 4.2Å; P100-F134 HydrophobicContact CG-CG 4.37Å; P100-F134 HydrophobicContact CG-CZ 3.89Å; P100-C137 HydrophobicContact CB-CB 3.72Å; P100-C137 HydrophobicContact CG-CB 4.03Å; P100-Q145 PolarHBondContact O-NE2 2.85Å
101V98.3Very high97.7Very high10 Ų109.2 Ų9.26%0.0615%0.049CC..Hα-helixtrans-70.2-46.3176.1175.30000111.4T99 E104 T105 E373 R376 L377T99-V101 PolarHBondContact O-N 2.89Å; T99-V101 VanDerWaalsContact O-N 3.09Å; T99-V101 PolarHBondContact OG1-N 3.15Å; V101-E104 PolarHBondContact O-N 2.83Å; V101-T105 PolarHBondContact O-N 3.14Å; V101-T105 VanDerWaalsContact O-N 3.15Å; V101-T105 PolarHBondContact O-OG1 2.85Å; V101-E373 HydrophobicContact CG1-CG 4.2Å; V101-R376 HydrophobicContact CG1-CB 3.57Å; V101-R376 PolarHBondContact O-NH1 3.15Å; V101-L377 HydrophobicContact CG1-CB 4.4Å
102T97.9Very high97.7Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-70.8-38.6178.5-57.80000111M98 T99 E104 T105 A106 E373 A527M98-T102 HydrophobicContact CB-CG2 4.07Å; M98-T102 HydrophobicContact CG-CG2 3.86Å; M98-T102 HydrophobicContact SD-CG2 3.97Å; T99-T102 PolarHBondContact O-N 3.37Å; T99-T102 PolarHBondContact OG1-N 2.68Å; T99-T102 PolarHBondContact OG1-OG1 2.97Å; T102-E104 VanDerWaalsContact C-N 3.35Å; T102-E104 PolarHBondContact O-N 3.34Å; T102-T105 WeakPolarHBondContact O-CB 3.25Å; T102-T105 PolarHBondContact O-N 2.9Å; T102-T105 VanDerWaalsContact O-N 3.15Å; T102-A106 PolarHBondContact O-N 3.4Å; T102-E373 PolarHBondContact OG1-OE1 3.35Å; T102-A527 HydrophobicContact CG2-CB 4.3Å
103F98.2Very high97.8Very high2 Ų29 Ų91%0.0095%0.048CC..Hα-helixtrans-58.9-44.9173-179.4-86.9000111.5L91 I93 S96 M98 T99 T105 A106 T107 L112 V115 I291 H296L91-F103 HydrophobicContact CD1-CE1 4.09Å; L91-F103 HydrophobicContact CD1-CE2 3.97Å; L91-F103 HydrophobicContact CD1-CZ 3.44Å; L91-F103 VanDerWaalsContact CD1-CZ 3.44Å; I93-F103 HydrophobicContact CD1-CD1 4.18Å; I93-F103 HydrophobicContact CD1-CG 4.45Å; I93-F103 HydrophobicContact CG1-CD1 4.17Å; I93-F103 HydrophobicContact CG1-CD2 4.39Å; I93-F103 HydrophobicContact CG1-CE1 4.41Å; I93-F103 HydrophobicContact CG1-CG 4.16Å; I93-F103 HydrophobicContact CG2-CB 3.86Å; I93-F103 HydrophobicContact CG2-CD2 4.28Å; I93-F103 HydrophobicContact CG2-CG 4.07Å; S96-F103 WeakPolarHBondContact OG-CD2 3.46Å; M98-F103 HydrophobicContact CB-CB 4.3Å; T99-F103 WeakPolarHBondContact O-CB 3.49Å; T99-F103 PolarHBondContact O-N 3.45Å; F103-T105 PolarHBondContact O-N 3.43Å; F103-A106 PolarHBondContact O-N 3.1Å; F103-T107 HydrophobicContact CD1-CG2 4.3Å; F103-T107 HydrophobicContact CD2-CG2 4.25Å; F103-T107 HydrophobicContact CE1-CG2 3.95Å; F103-T107 HydrophobicContact CE2-CG2 3.92Å; F103-T107 HydrophobicContact CG-CG2 4.44Å; F103-T107 HydrophobicContact CZ-CG2 3.77Å; F103-T107 WeakPolarHBondContact O-CB 3.2Å; F103-T107 WeakPolarHBondContact O-CG2 3.43Å; F103-T107 PolarHBondContact O-N 2.92Å; F103-T107 PolarHBondContact O-OG1 3.2Å; F103-L112 HydrophobicContact CE1-CD2 3.98Å; F103-L112 HydrophobicContact CZ-CD2 3.98Å; F103-V115 HydrophobicContact CE1-CG1 3.93Å; F103-V115 HydrophobicContact CZ-CG1 4.45Å; F103-I291 HydrophobicContact CD2-CD1 4.46Å; F103-I291 HydrophobicContact CE2-CD1 4.08Å; F103-H296 AromaticContact CE2-NE2 3.53Å; F103-H296 AromaticContact CZ-CD2 3.93Å; F103-H296 AromaticContact CZ-NE2 3.29Å; F103-H296 VanDerWaalsContact CZ-NE2 3.29Å; F103-H296 WeakPolarHBondContact CZ-NE2 3.26Å
104E98Very high97.8Very high4 Ų49 Ų92%0.0195%0.048CC..Hα-helixtrans-57.4-46.8172.5171.1179.2-133.100111.4P100 V101 T102 A106 T107 L108 R142 Q143 R376P100-E104 WeakPolarHBondContact O-CB 3.21Å; P100-E104 PolarHBondContact O-N 3.31Å; V101-E104 PolarHBondContact O-N 2.83Å; T102-E104 VanDerWaalsContact C-N 3.35Å; T102-E104 PolarHBondContact O-N 3.34Å; E104-A106 VanDerWaalsContact C-N 3.26Å; E104-A106 PolarHBondContact O-N 3.41Å; E104-T107 PolarHBondContact O-N 3.02Å; E104-L108 HydrophobicContact CG-CB 4.29Å; E104-L108 HydrophobicContact CG-CD2 4.18Å; E104-L108 WeakPolarHBondContact O-CB 3.48Å; E104-L108 PolarHBondContact O-N 2.62Å; E104-R142 VanDerWaalsContact OE1-CA 3.24Å; E104-R142 WeakPolarHBondContact OE1-CA 3.42Å; E104-R142 VanDerWaalsContact OE1-CB 3.22Å; E104-R142 WeakPolarHBondContact OE1-CB 3.1Å; E104-R142 PolarHBondContact OE1-N 3.41Å; E104-Q143 HydrophobicContact CG-CB 4.06Å; E104-Q143 PolarHBondContact OE1-N 3.14Å; E104-R376 IonicContact OE2-CZ 3.08Å; E104-R376 IonicContact OE2-NH1 3.86Å; E104-R376 PolarHBondContact OE2-NH1 3.07Å
105T97.5Very high97.8Very high9 Ų98.9 Ų8.96%0.0555%0.047CC..Hα-helixtrans-57.9-41178.4-50.90000111.9V101 T102 F103 P109 L369 Q370 E373 R376V101-T105 PolarHBondContact O-N 3.14Å; V101-T105 VanDerWaalsContact O-N 3.15Å; V101-T105 PolarHBondContact O-OG1 2.85Å; T102-T105 WeakPolarHBondContact O-CB 3.25Å; T102-T105 PolarHBondContact O-N 2.9Å; T102-T105 VanDerWaalsContact O-N 3.15Å; F103-T105 PolarHBondContact O-N 3.43Å; T105-P109 VanDerWaalsContact O-CD 3.23Å; T105-P109 WeakPolarHBondContact O-CD 3.45Å; T105-P109 WeakPolarHBondContact O-CG 3.42Å; T105-L369 HydrophobicContact CG2-CD2 4.49Å; T105-L369 HydrophobicContact CG2-CG 4.24Å; T105-Q370 HydrophobicContact CG2-CB 4.19Å; T105-Q370 VanDerWaalsContact CG2-OE1 3.3Å; T105-E373 WeakPolarHBondContact CB-OE2 3.32Å; T105-E373 WeakPolarHBondContact CG2-OE2 3.26Å; T105-E373 PolarHBondContact OG1-OE2 2.84Å; T105-R376 PolarHBondContact OG1-NH2 2.83Å
106A96.7Very high98Very high19 Ų198.6 Ų8.616%0.1575%0.045CC..Hα-helixtrans-75.3-32.4-175.900000113.6M98 T102 F103 E104 A527M98-A106 HydrophobicContact SD-CB 4.08Å; T102-A106 PolarHBondContact O-N 3.4Å; F103-A106 PolarHBondContact O-N 3.1Å; E104-A106 VanDerWaalsContact C-N 3.26Å; E104-A106 PolarHBondContact O-N 3.41Å; A106-A527 HydrophobicContact CB-CB 3.81Å
107T97.8Very high98.1Very high0 Ų08.6 Ų8.60%05%0.045CC..Hα-helixtrans-108-33.3-167.461.60000114.1F103 E104 R110 L112 Q143 I291F103-T107 HydrophobicContact CD1-CG2 4.3Å; F103-T107 HydrophobicContact CD2-CG2 4.25Å; F103-T107 HydrophobicContact CE1-CG2 3.95Å; F103-T107 HydrophobicContact CE2-CG2 3.92Å; F103-T107 HydrophobicContact CG-CG2 4.44Å; F103-T107 HydrophobicContact CZ-CG2 3.77Å; F103-T107 WeakPolarHBondContact O-CB 3.2Å; F103-T107 WeakPolarHBondContact O-CG2 3.43Å; F103-T107 PolarHBondContact O-N 2.92Å; F103-T107 PolarHBondContact O-OG1 3.2Å; E104-T107 PolarHBondContact O-N 3.02Å; T107-R110 WeakPolarHBondContact O-CA 3.46Å; T107-R110 WeakPolarHBondContact O-CB 3.24Å; T107-R110 PolarHBondContact O-N 3.32Å; T107-L112 HydrophobicContact CG2-CD2 4.13Å; T107-L112 PolarHBondContact O-N 3.17Å; T107-Q143 PolarHBondContact OG1-NE2 3.3Å; T107-I291 HydrophobicContact CG2-CG2 3.99Å
108L98.2Very high98.1Very high0 Ų08.1 Ų8.10%04%0.043CC..G310 helixtrans-59.5-43-177.6-16861.7000113E104 R110 G111 L112 R142 Q143 V359 I364 L369E104-L108 HydrophobicContact CG-CB 4.29Å; E104-L108 HydrophobicContact CG-CD2 4.18Å; E104-L108 WeakPolarHBondContact O-CB 3.48Å; E104-L108 PolarHBondContact O-N 2.62Å; L108-R110 PolarHBondContact O-N 3.12Å; L108-R110 VanDerWaalsContact O-N 3.11Å; L108-G111 PolarHBondContact O-N 3.21Å; L108-L112 WeakPolarHBondContact CD1-O 3.21Å; L108-R142 HydrophobicContact CD2-CB 4.19Å; L108-Q143 HydrophobicContact CD1-CB 3.93Å; L108-Q143 HydrophobicContact CD1-CG 4.04Å; L108-Q143 HydrophobicContact CD2-CB 4.4Å; L108-V359 HydrophobicContact CD1-CG2 3.7Å; L108-V359 HydrophobicContact CD2-CG2 4.39Å; L108-V359 HydrophobicContact CG-CG2 4.31Å; L108-I364 HydrophobicContact CD2-CD1 4.11Å; L108-I364 HydrophobicContact CD2-CG1 4.14Å; L108-I364 HydrophobicContact CD2-CG2 4.16Å; L108-I364 HydrophobicContact CG-CG1 4.44Å; L108-I364 HydrophobicContact CG-CG2 4.39Å; L108-L369 HydrophobicContact CB-CD2 4.17Å; L108-L369 HydrophobicContact CD2-CD2 4.24Å
109P97.3Very high98.2Very high40 Ų408.1 Ų8.126%0.264%0.043SC..G310 helixtrans-63.4-16.6176.2-23.836.7000114.4T105 G111 V354 A366 L369T105-P109 VanDerWaalsContact O-CD 3.23Å; T105-P109 WeakPolarHBondContact O-CD 3.45Å; T105-P109 WeakPolarHBondContact O-CG 3.42Å; P109-G111 VanDerWaalsContact C-N 3.32Å; P109-V354 WeakPolarHBondContact O-CG1 3.48Å; P109-A366 HydrophobicContact CB-CB 3.98Å; P109-A366 HydrophobicContact CG-CB 3.88Å; P109-L369 HydrophobicContact CG-CD2 4.21Å
110R97.1Very high98.1Very high77 Ų778.3 Ų8.329%0.2914%0.044SC..G310 helixtrans-90.54.9177.3-59.3176.1172.9-100.65.8112.8F86 T107 L108 I291 V292 V354F86-R110 WeakPolarHBondContact CE2-O 3.43Å; T107-R110 WeakPolarHBondContact O-CA 3.46Å; T107-R110 WeakPolarHBondContact O-CB 3.24Å; T107-R110 PolarHBondContact O-N 3.32Å; L108-R110 PolarHBondContact O-N 3.12Å; L108-R110 VanDerWaalsContact O-N 3.11Å; R110-I291 PolarHBondContact NH2-O 3.19Å; R110-V292 PolarHBondContact NH2-O 3.42Å; R110-V354 WeakPolarHBondContact O-CG2 3.1Å
111G98.4Very high98.1Very high0 Ų08.3 Ų8.30%04%0.044CC..THydrogen-bonded Turntrans91.61.3177.600000114.6F86 L108 P109 T113F86-G111 WeakPolarHBondContact CB-O 3.43Å; F86-G111 WeakPolarHBondContact CD2-O 3.26Å; F86-G111 WeakPolarHBondContact CG-O 3.36Å; F86-G111 PolarHBondContact N-O 3.09Å; L108-G111 PolarHBondContact O-N 3.21Å; P109-G111 VanDerWaalsContact C-N 3.32Å; G111-T113 PolarHBondContact O-N 3.41Å
112L98.7Very high98.1Very high2 Ų27.9 Ų7.91%0.014%0.041CC..EExtended strand (participates in β ladder)trans-73.492170.7-174.664.1000109.6F86 D88 F103 T107 L108 T114 V115 Q143 I297F86-L112 HydrophobicContact CB-CD1 4.47Å; D88-L112 HydrophobicContact CB-CD1 3.97Å; F103-L112 HydrophobicContact CE1-CD2 3.98Å; F103-L112 HydrophobicContact CZ-CD2 3.98Å; T107-L112 HydrophobicContact CG2-CD2 4.13Å; T107-L112 PolarHBondContact O-N 3.17Å; L108-L112 WeakPolarHBondContact CD1-O 3.21Å; L112-T114 WeakPolarHBondContact CD1-O 3.41Å; L112-V115 HydrophobicContact CD1-CG1 4.22Å; L112-V115 HydrophobicContact CD2-CG1 3.68Å; L112-V115 HydrophobicContact CG-CG1 3.97Å; L112-Q143 PolarHBondContact O-NE2 3.17Å; L112-I297 HydrophobicContact CD1-CB 4.39Å; L112-I297 HydrophobicContact CD1-CG1 3.99Å
113T98.9Very high98.2Very high1 Ų17.9 Ų7.91%0.0064%0.041CC..EExtended strand (participates in β ladder)trans-90-20.5-176.262.20000113.4G85 F86 G111 Q143 N144 D342 V357 V359G85-T113 WeakPolarHBondContact CA-OG1 3.38Å; F86-T113 PolarHBondContact O-N 2.87Å; F86-T113 PolarHBondContact O-OG1 3.12Å; G111-T113 PolarHBondContact O-N 3.41Å; T113-Q143 VanDerWaalsContact O-CG 3.27Å; T113-Q143 WeakPolarHBondContact O-CG 3.21Å; T113-N144 PolarHBondContact O-N 2.71Å; T113-N144 PolarHBondContact O-ND2 2.83Å; T113-D342 HydrophobicContact CG2-CB 4.29Å; T113-V357 HydrophobicContact CG2-CG1 3.92Å; T113-V359 HydrophobicContact CG2-CG2 3.95Å
114T98.9Very high98.2Very high1 Ų17.8 Ų7.81%0.0064%0.041CC..EExtended strand (participates in β ladder)trans-141.2141.4-175.4-53.20000110.5F86 I87 D88 L112 N144 Y146 L332F86-T114 PolarHBondContact O-N 2.87Å; I87-T114 WeakPolarHBondContact CA-O 3.28Å; I87-T114 HydrophobicContact CG1-CG2 4.48Å; I87-T114 HydrophobicContact CG2-CG2 3.81Å; D88-T114 PolarHBondContact N-O 2.89Å; D88-T114 VanDerWaalsContact N-O 3.09Å; L112-T114 WeakPolarHBondContact CD1-O 3.41Å; T114-N144 CarbonylContact C-O 3.54Å; T114-N144 VanDerWaalsContact CA-O 3.25Å; T114-N144 WeakPolarHBondContact CA-O 3.49Å; T114-N144 HydrophobicContact CG2-CB 3.95Å; T114-N144 PolarHBondContact OG1-ND2 3.17Å; T114-Y146 HydrophobicContact CG2-CD2 3.74Å; T114-Y146 HydrophobicContact CG2-CE2 3.77Å; T114-L332 HydrophobicContact CG2-CD1 4.07Å
115V98.8Very high98.2Very high0 Ų08.1 Ų8.10%04%0.043CC..EExtended strand (participates in β ladder)trans-132.9140.5173.5-67.80000110D88 L91 F103 L112 N144 Q145 Y146D88-V115 HydrophobicContact CB-CG1 4.26Å; L91-V115 HydrophobicContact CD1-CG1 4.34Å; L91-V115 HydrophobicContact CD2-CB 3.58Å; L91-V115 HydrophobicContact CD2-CG1 3.87Å; F103-V115 HydrophobicContact CE1-CG1 3.93Å; F103-V115 HydrophobicContact CZ-CG1 4.45Å; L112-V115 HydrophobicContact CD1-CG1 4.22Å; L112-V115 HydrophobicContact CD2-CG1 3.68Å; L112-V115 HydrophobicContact CG-CG1 3.97Å; V115-N144 PolarHBondContact N-O 2.94Å; V115-Q145 HydrophobicContact CG2-CB 3.98Å; V115-Q145 HydrophobicContact CG2-CG 3.72Å; V115-Y146 PolarHBondContact O-N 2.99Å
116I98.5Very high98.2Very high1 Ų110.2 Ų10.21%0.0055%0.053CC..EExtended strand (participates in β ladder)trans-105.298.5167.1-49-56.3000106.6D88 L91 Y146 Q148 F327 L329D88-I116 PolarHBondContact O-N 3.06Å; L91-I116 WeakPolarHBondContact CD2-O 3.41Å; L91-I116 PolarHBondContact N-O 2.76Å; I116-Y146 HydrophobicContact CD1-CD2 3.98Å; I116-Y146 HydrophobicContact CD1-CG 4.32Å; I116-Q148 HydrophobicContact CG2-CG 3.64Å; I116-F327 HydrophobicContact CB-CE2 4.39Å; I116-F327 HydrophobicContact CB-CZ 4.33Å; I116-F327 HydrophobicContact CD1-CD2 4.23Å; I116-F327 HydrophobicContact CD1-CG 4.25Å; I116-F327 HydrophobicContact CG1-CD2 3.8Å; I116-F327 HydrophobicContact CG1-CE2 3.8Å; I116-F327 HydrophobicContact CG1-CG 4.2Å; I116-F327 HydrophobicContact CG1-CZ 4.2Å; I116-F327 HydrophobicContact CG2-CD1 4.16Å; I116-F327 HydrophobicContact CG2-CE1 3.79Å; I116-F327 HydrophobicContact CG2-CE2 4.33Å; I116-F327 HydrophobicContact CG2-CZ 3.85Å; I116-L329 HydrophobicContact CD1-CD1 3.78Å
117C98.5Very high98.2Very high1 Ų19.5 Ų9.51%0.0075%0.047CC..EExtended strand (participates in β ladder)trans-100.9129.7-1701800000110.6L91 I93 P119 Y146 L147 Q148L91-C117 WeakPolarHBondContact O-CA 3.48Å; I93-C117 HydrophobicContact CD1-CB 4.49Å; C117-P119 WeakPolarHBondContact O-CD 3.36Å; C117-Y146 PolarHBondContact N-O 2.93Å; C117-L147 HydrophobicContact CB-CD2 4.1Å; C117-L147 CarbonylContact O-C 3.54Å; C117-L147 VanDerWaalsContact O-CA 3.3Å; C117-L147 WeakPolarHBondContact O-CA 3.5Å; C117-Q148 PolarHBondContact O-N 2.91Å
118D98.5Very high98.2Very high2 Ų212.4 Ų12.41%0.0116%0.061CC..  trans-98.5109.2162.1-177.33.6000109L91 H92 H120 S150 A184L91-D118 PolarHBondContact O-N 2.69Å; H92-D118 PolarHBondContact ND1-O 3.28Å; D118-H120 PolarHBondContact O-N 3.17Å; D118-H120 VanDerWaalsContact O-N 3.09Å; D118-H120 WeakPolarHBondContact OD1-CB 3.49Å; D118-H120 IonicContact OD1-CG 3.64Å; D118-H120 PolarHBondContact OD1-N 2.99Å; D118-H120 IonicContact OD1-ND1 2.72Å; D118-H120 IonicContact OD2-CG 3.73Å; D118-H120 IonicContact OD2-ND1 3.94Å; D118-H120 PolarHBondContact OD2-ND1 3.05Å; D118-S150 WeakPolarHBondContact OD1-CB 3.47Å; D118-S150 PolarHBondContact OD1-OG 2.73Å; D118-A184 HydrophobicContact CB-CB 3.85Å; D118-A184 WeakPolarHBondContact OD1-CB 3.42Å; D118-A184 WeakPolarHBondContact OD2-CB 3.38Å
119P98.4Very high98.2Very high0 Ų015.1 Ų15.10%08%0.083CC..  trans-82.232.317837.7-37.6000112.2E94 C117 E121 I122 V123 F131 F134 Q148E94-P119 WeakPolarHBondContact OE1-CA 3.21Å; C117-P119 WeakPolarHBondContact O-CD 3.36Å; P119-E121 PolarHBondContact O-N 2.9Å; P119-E121 VanDerWaalsContact O-N 3.11Å; P119-I122 HydrophobicContact CB-CG2 4.23Å; P119-I122 PolarHBondContact O-N 2.93Å; P119-V123 HydrophobicContact CB-CG2 4.5Å; P119-V123 HydrophobicContact CG-CG2 4.3Å; P119-V123 WeakPolarHBondContact O-CB 3.48Å; P119-V123 WeakPolarHBondContact O-CG2 3.44Å; P119-V123 PolarHBondContact O-N 2.92Å; P119-V123 VanDerWaalsContact O-N 3.13Å; P119-F131 HydrophobicContact CG-CD2 3.65Å; P119-F131 HydrophobicContact CG-CE2 3.84Å; P119-F134 HydrophobicContact CB-CB 4.1Å; P119-F134 HydrophobicContact CB-CD1 3.54Å; P119-F134 HydrophobicContact CB-CD2 4.11Å; P119-F134 HydrophobicContact CB-CE1 3.86Å; P119-F134 HydrophobicContact CB-CE2 4.43Å; P119-F134 HydrophobicContact CB-CG 3.65Å; P119-F134 HydrophobicContact CB-CZ 4.31Å; P119-F134 HydrophobicContact CG-CB 4.46Å; P119-F134 HydrophobicContact CG-CD1 4.47Å; P119-F134 HydrophobicContact CG-CG 4.49Å; P119-Q148 WeakPolarHBondContact CD-O 3.43Å
120H98Very high98.2Very high5 Ų513.2 Ų13.22%0.0237%0.071CC..Hα-helixtrans-61.7-24.7-17368.1-135.9000111.9H92 D118 V123 N124 S150 E185 D474H92-H120 AromaticContact CE1-CE1 3.04Å; H92-H120 PolarHBondContact CE1-CE1 2.95Å; H92-H120 AromaticContact CE1-ND1 3.49Å; H92-H120 PolarHBondContact CE1-ND1 3Å; H92-H120 AromaticContact CE1-NE2 3.72Å; H92-H120 AromaticContact ND1-CE1 3.55Å; H92-H120 AromaticContact ND1-ND1 3.88Å; H92-H120 AromaticContact ND1-NE2 3.84Å; H92-H120 AromaticContact NE2-CE1 3.61Å; D118-H120 PolarHBondContact O-N 3.17Å; D118-H120 VanDerWaalsContact O-N 3.09Å; D118-H120 WeakPolarHBondContact OD1-CB 3.49Å; D118-H120 IonicContact OD1-CG 3.64Å; D118-H120 PolarHBondContact OD1-N 2.99Å; D118-H120 IonicContact OD1-ND1 2.72Å; D118-H120 IonicContact OD2-CG 3.73Å; D118-H120 IonicContact OD2-ND1 3.94Å; D118-H120 PolarHBondContact OD2-ND1 3.05Å; H120-V123 PolarHBondContact O-N 3.4Å; H120-N124 WeakPolarHBondContact O-CB 3.38Å; H120-N124 PolarHBondContact O-N 2.84Å; H120-N124 PolarHBondContact O-ND2 3.3Å; H120-S150 VanDerWaalsContact CA-OG 3.23Å; H120-S150 WeakPolarHBondContact CA-OG 3.48Å; H120-S150 PolarHBondContact N-OG 2.94Å; H120-E185 IonicContact CE1-OE1 2.66Å; H120-E185 PolarHBondContact CE1-OE1 3.15Å; H120-E185 IonicContact ND1-OE1 3.77Å; H120-D474 IonicContact NE2-OD1 3.17Å
121E98.2Very high98.3Very high1 Ų19.6 Ų9.61%0.0056%0.057CC..Hα-helixtrans-66.9-55.8-176-44.3-61.8-176.600109.6H92 E94 P119 V123 N124 V125 H473 H476 L521H92-E121 HydrophobicContact CB-CG 4.13Å; H92-E121 IonicContact CG-OE1 3.8Å; E94-E121 HydrophobicContact CB-CB 3.66Å; E94-E121 HydrophobicContact CB-CG 3.75Å; E94-E121 HydrophobicContact CG-CB 3.77Å; E94-E121 HydrophobicContact CG-CG 4.19Å; E94-E121 PolarHBondContact OE1-N 2.77Å; P119-E121 PolarHBondContact O-N 2.9Å; P119-E121 VanDerWaalsContact O-N 3.11Å; E121-V123 PolarHBondContact O-N 3.14Å; E121-N124 PolarHBondContact O-N 3.35Å; E121-V125 WeakPolarHBondContact O-CG2 3.48Å; E121-V125 PolarHBondContact O-N 3.36Å; E121-H473 IonicContact OE1-CE1 3.76Å; E121-H473 PolarHBondContact OE1-CE1 2.89Å; E121-H473 IonicContact OE1-ND1 2.89Å; E121-H473 PolarHBondContact OE1-ND1 3.28Å; E121-H473 IonicContact OE2-CE1 2.76Å; E121-H473 IonicContact OE2-ND1 3.43Å; E121-H473 PolarHBondContact OE2-ND1 2.79Å; E121-H473 VanDerWaalsContact OE2-ND1 3.16Å; E121-H476 WeakPolarHBondContact CA-NE2 3.38Å; E121-H476 VanDerWaalsContact CB-NE2 3.32Å; E121-H476 WeakPolarHBondContact CB-NE2 3.09Å; E121-H476 PolarHBondContact O-CD2 3.06Å; E121-H476 VanDerWaalsContact O-CD2 3.26Å; E121-H476 PolarHBondContact O-NE2 3.29Å; E121-H476 IonicContact OE2-CE1 3.13Å; E121-H476 PolarHBondContact OE2-CE1 2.9Å; E121-H476 IonicContact OE2-NE2 3.7Å; E121-H476 PolarHBondContact OE2-NE2 3.24Å; E121-L521 VanDerWaalsContact C-CD1 3.5Å; E121-L521 HydrophobicContact CB-CD1 3.77Å
122I98.2Very high98.3Very high0 Ų010.7 Ų10.70%07%0.067CC..Hα-helixtrans-67.4-29.2177.6-161.9174.2000111.9E94 P119 V125 M126 W133 F134 P383 I518 A519 L521 M522E94-I122 HydrophobicContact CG-CB 4.35Å; E94-I122 PolarHBondContact OE1-N 3.21Å; P119-I122 HydrophobicContact CB-CG2 4.23Å; P119-I122 PolarHBondContact O-N 2.93Å; I122-V125 PolarHBondContact O-N 3.22Å; I122-M126 HydrophobicContact CD1-SD 4.05Å; I122-M126 HydrophobicContact CG1-CG 4.24Å; I122-M126 HydrophobicContact CG1-SD 3.99Å; I122-M126 WeakPolarHBondContact O-CB 3.42Å; I122-M126 PolarHBondContact O-N 3.4Å; I122-W133 HydrophobicContact CD1-CE3 3.55Å; I122-W133 HydrophobicContact CD1-CZ3 3.75Å; I122-F134 HydrophobicContact CB-CE2 4.34Å; I122-F134 HydrophobicContact CD1-CE2 4.33Å; I122-F134 HydrophobicContact CG2-CD2 3.76Å; I122-F134 HydrophobicContact CG2-CE2 3.61Å; I122-F134 HydrophobicContact CG2-CZ 4.45Å; I122-P383 HydrophobicContact CD1-CG 4.19Å; I122-I518 HydrophobicContact CD1-CG2 4.4Å; I122-A519 HydrophobicContact CD1-CB 4.42Å; I122-A519 HydrophobicContact CG1-CB 3.93Å; I122-L521 HydrophobicContact CB-CD1 4.43Å; I122-M522 HydrophobicContact CB-CE 4.3Å; I122-M522 HydrophobicContact CD1-CE 3.95Å; I122-M522 HydrophobicContact CG1-CE 4.45Å
123V98.5Very high98.2Very high0 Ų010.7 Ų10.70%07%0.067CC..Hα-helixtrans-71.4-33.4178178.80000111.2P119 H120 E121 V125 G127 F131 V153 F166P119-V123 HydrophobicContact CB-CG2 4.5Å; P119-V123 HydrophobicContact CG-CG2 4.3Å; P119-V123 WeakPolarHBondContact O-CB 3.48Å; P119-V123 WeakPolarHBondContact O-CG2 3.44Å; P119-V123 PolarHBondContact O-N 2.92Å; P119-V123 VanDerWaalsContact O-N 3.13Å; H120-V123 PolarHBondContact O-N 3.4Å; E121-V123 PolarHBondContact O-N 3.14Å; V123-V125 VanDerWaalsContact C-N 3.27Å; V123-V125 PolarHBondContact O-N 2.9Å; V123-G127 WeakPolarHBondContact O-CA 2.96Å; V123-G127 PolarHBondContact O-N 2.91Å; V123-F131 HydrophobicContact CG2-CB 3.77Å; V123-F131 HydrophobicContact CG2-CD2 4.15Å; V123-F131 HydrophobicContact CG2-CG 4.49Å; V123-V153 HydrophobicContact CB-CG2 4.5Å; V123-V153 HydrophobicContact CG1-CG1 4.22Å; V123-V153 HydrophobicContact CG1-CG2 3.85Å; V123-F166 HydrophobicContact CG1-CB 3.83Å; V123-F166 HydrophobicContact CG1-CD1 3.62Å; V123-F166 HydrophobicContact CG1-CE1 4.24Å; V123-F166 HydrophobicContact CG1-CG 3.8Å
124N98.2Very high98.2Very high0 Ų010.8 Ų10.80%07%0.067CC..Hα-helixtrans-62.8-35.3169.8-85-72.6000112H120 E121 N162 G163 A164 D474H120-N124 WeakPolarHBondContact O-CB 3.38Å; H120-N124 PolarHBondContact O-N 2.84Å; H120-N124 PolarHBondContact O-ND2 3.3Å; E121-N124 PolarHBondContact O-N 3.35Å; N124-N162 VanDerWaalsContact CB-OD1 3.31Å; N124-N162 WeakPolarHBondContact CB-OD1 3.25Å; N124-N162 PolarHBondContact O-OD1 3.07Å; N124-N162 PolarHBondContact OD1-ND2 2.99Å; N124-N162 PolarHBondContact OD1-OD1 3.03Å; N124-G163 CarbonylContact O-C 3.49Å; N124-G163 WeakPolarHBondContact O-CA 3.32Å; N124-G163 PolarHBondContact O-N 2.97Å; N124-G163 VanDerWaalsContact O-N 3.11Å; N124-A164 PolarHBondContact O-N 3.17Å; N124-D474 WeakPolarHBondContact CB-O 3.43Å; N124-D474 VanDerWaalsContact CG-O 3.23Å
125V98.2Very high98.2Very high11 Ų1110.8 Ų10.87%0.0677%0.067CC..Hα-helixtrans-78.7-44177.8-173.70000113.1E121 I122 V123 G163 T387 Y446 H476 A519 L521E121-V125 WeakPolarHBondContact O-CG2 3.48Å; E121-V125 PolarHBondContact O-N 3.36Å; I122-V125 PolarHBondContact O-N 3.22Å; V123-V125 VanDerWaalsContact C-N 3.27Å; V123-V125 PolarHBondContact O-N 2.9Å; V125-G163 CarbonylContact O-C 3.57Å; V125-T387 HydrophobicContact CG1-CG2 4.19Å; V125-Y446 HydrophobicContact CG1-CE1 4.21Å; V125-H476 HydrophobicContact CG2-CB 4.04Å; V125-A519 HydrophobicContact CB-CB 4.04Å; V125-A519 HydrophobicContact CG1-CB 3.84Å; V125-A519 HydrophobicContact CG2-CB 4.26Å; V125-L521 HydrophobicContact CG2-CD1 3.86Å; V125-L521 HydrophobicContact CG2-CG 4.39Å
126M97.4Very high98.1Very high54 Ų5414.9 Ų14.927%0.2668%0.083SC..Hα-helixtrans-123.6-6.2-164-59.7-170.874.300114.4I122 P383 A519I122-M126 HydrophobicContact CD1-SD 4.05Å; I122-M126 HydrophobicContact CG1-CG 4.24Å; I122-M126 HydrophobicContact CG1-SD 3.99Å; I122-M126 WeakPolarHBondContact O-CB 3.42Å; I122-M126 PolarHBondContact O-N 3.4Å; M126-P383 HydrophobicContact CE-CB 3.69Å; M126-P383 HydrophobicContact CE-CG 4.2Å; M126-P383 HydrophobicContact SD-CB 4.1Å; M126-P383 HydrophobicContact SD-CG 3.94Å; M126-A519 HydrophobicContact CG-CB 4.39Å; M126-A519 HydrophobicContact SD-CB 4.2Å
127G97.7Very high98.1Very high3 Ų315 Ų153%0.0318%0.083CC..THydrogen-bonded Turntrans64.7-140.9-177.900000111.7V123 A129 G130 F131 A164V123-G127 WeakPolarHBondContact O-CA 2.96Å; V123-G127 PolarHBondContact O-N 2.91Å; G127-A129 PolarHBondContact O-N 3.23Å; G127-A129 VanDerWaalsContact O-N 3.11Å; G127-G130 PolarHBondContact O-N 2.84Å; G127-F131 PolarHBondContact O-N 3.3Å; G127-A164 VanDerWaalsContact CA-CB 3.49Å
128E97.8Very high98.1Very high61 Ų6115 Ų1529%0.2858%0.083SC..Hα-helixtrans-56.4-28.8-179.1-177.6171.2-152.600113.8G130 F131 A132 F166 Q170 W174E128-G130 VanDerWaalsContact C-N 3.31Å; E128-G130 PolarHBondContact O-N 3.41Å; E128-F131 PolarHBondContact O-N 2.79Å; E128-A132 VanDerWaalsContact O-CB 3.25Å; E128-A132 WeakPolarHBondContact O-CB 3.3Å; E128-A132 PolarHBondContact O-N 3.49Å; E128-F166 HydrophobicContact CB-CD2 4.23Å; E128-F166 HydrophobicContact CB-CE2 3.98Å; E128-F166 HydrophobicContact CG-CE2 4.28Å; E128-Q170 WeakPolarHBondContact OE2-CG 3.48Å; E128-Q170 PolarHBondContact OE2-NE2 2.8Å; E128-W174 PolarHBondContact OE1-NE1 2.92Å
129A97.5Very high98Very high58 Ų5820.4 Ų20.448%0.47911%0.109SC..Hα-helixtrans-64.6-36.4176.700000112.4G127 W133G127-A129 PolarHBondContact O-N 3.23Å; G127-A129 VanDerWaalsContact O-N 3.11Å; A129-W133 PolarHBondContact O-N 3.47Å
130G98.1Very high97.9Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-66-48.8173.400000111.2G127 E128 A132 W133 F134G127-G130 PolarHBondContact O-N 2.84Å; E128-G130 VanDerWaalsContact C-N 3.31Å; E128-G130 PolarHBondContact O-N 3.41Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 3.4Å; G130-W133 PolarHBondContact O-N 3.12Å; G130-W133 VanDerWaalsContact O-N 3.13Å; G130-F134 PolarHBondContact O-N 2.69Å; G130-F134 VanDerWaalsContact O-N 3.14Å
131F98.4Very high97.8Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-57.7-45.7176.9-166-88.7000111.9P119 V123 G127 E128 W133 F134 A135 L147 V149 F166 W174 V180P119-F131 HydrophobicContact CG-CD2 3.65Å; P119-F131 HydrophobicContact CG-CE2 3.84Å; V123-F131 HydrophobicContact CG2-CB 3.77Å; V123-F131 HydrophobicContact CG2-CD2 4.15Å; V123-F131 HydrophobicContact CG2-CG 4.49Å; G127-F131 PolarHBondContact O-N 3.3Å; E128-F131 PolarHBondContact O-N 2.79Å; F131-W133 PolarHBondContact O-N 2.99Å; F131-F134 PolarHBondContact O-N 2.79Å; F131-A135 PolarHBondContact O-N 3.22Å; F131-L147 HydrophobicContact CE1-CD1 4.28Å; F131-L147 HydrophobicContact CE2-CB 4.42Å; F131-L147 HydrophobicContact CE2-CD1 4.4Å; F131-L147 HydrophobicContact CZ-CB 4.15Å; F131-L147 HydrophobicContact CZ-CD1 3.99Å; F131-V149 HydrophobicContact CE2-CG2 4.28Å; F131-V149 HydrophobicContact CZ-CG2 3.89Å; F131-F166 HydrophobicContact CB-CZ 4.21Å; F131-F166 HydrophobicContact CD1-CZ 4.49Å; F131-F166 HydrophobicContact CD2-CE1 4.16Å; F131-F166 HydrophobicContact CD2-CZ 4.26Å; F131-F166 HydrophobicContact CG-CE1 4.39Å; F131-F166 HydrophobicContact CG-CZ 4.04Å; F131-W174 HydrophobicContact CD1-CB 4.26Å; F131-W174 AromaticContact CD1-CD1 3.85Å; F131-W174 AromaticContact CD1-CD2 3.42Å; F131-W174 HydrophobicContact CD1-CD2 3.42Å; F131-W174 VanDerWaalsContact CD1-CD2 3.42Å; F131-W174 AromaticContact CD1-CE2 3.64Å; F131-W174 AromaticContact CD1-CE3 3.86Å; F131-W174 HydrophobicContact CD1-CE3 3.86Å; F131-W174 AromaticContact CD1-CG 3.58Å; F131-W174 HydrophobicContact CD1-CG 3.58Å; F131-W174 HydrophobicContact CD1-CZ2 4.24Å; F131-W174 HydrophobicContact CD1-CZ3 4.42Å; F131-W174 AromaticContact CD1-NE1 3.92Å; F131-W174 HydrophobicContact CE1-CB 3.58Å; F131-W174 AromaticContact CE1-CD2 3.39Å; F131-W174 HydrophobicContact CE1-CD2 3.39Å; F131-W174 AromaticContact CE1-CE3 3.59Å; F131-W174 HydrophobicContact CE1-CE3 3.59Å; F131-W174 AromaticContact CE1-CG 3.37Å; F131-W174 HydrophobicContact CE1-CG 3.37Å; F131-W174 HydrophobicContact CE1-CZ3 4.42Å; F131-W174 HydrophobicContact CZ-CB 4.19Å; F131-W174 HydrophobicContact CZ-CG 4.37Å; F131-V180 HydrophobicContact CE1-CG2 4.34Å; F131-V180 HydrophobicContact CZ-CG2 3.94Å
132A98.2Very high97.8Very high24 Ų2428 Ų2820%0.19814%0.142CC..Hα-helixtrans-64-28.1179.800000113.3E128 G130 R136 W174E128-A132 VanDerWaalsContact O-CB 3.25Å; E128-A132 WeakPolarHBondContact O-CB 3.3Å; E128-A132 PolarHBondContact O-N 3.49Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 3.4Å; A132-R136 PolarHBondContact O-N 2.93Å; A132-R136 PolarHBondContact O-NH1 3.02Å; A132-R136 VanDerWaalsContact O-NH1 3.14Å; A132-W174 HydrophobicContact CB-CH2 3.78Å; A132-W174 HydrophobicContact CB-CZ2 3.67Å
133W98.4Very high97.8Very high2 Ų228.1 Ų28.11%0.00814%0.143CC..Hα-helixtrans-73.7-44.8172.8176.155.5000111.7T99 I122 A129 G130 F131 A135 R136 C137 S380 P382 P383 I518 M522T99-W133 HydrophobicContact CG2-CH2 4.05Å; T99-W133 HydrophobicContact CG2-CZ2 4.2Å; I122-W133 HydrophobicContact CD1-CE3 3.55Å; I122-W133 HydrophobicContact CD1-CZ3 3.75Å; A129-W133 PolarHBondContact O-N 3.47Å; G130-W133 PolarHBondContact O-N 3.12Å; G130-W133 VanDerWaalsContact O-N 3.13Å; F131-W133 PolarHBondContact O-N 2.99Å; W133-A135 VanDerWaalsContact C-N 3.33Å; W133-A135 PolarHBondContact O-N 3.03Å; W133-R136 PolarHBondContact O-N 3.47Å; W133-C137 PolarHBondContact NE1-SG 3.24Å; W133-C137 VanDerWaalsContact NE1-SG 3.44Å; W133-C137 PolarHBondContact O-N 2.98Å; W133-C137 PolarHBondContact O-SG 3.1Å; W133-C137 VanDerWaalsContact O-SG 3.37Å; W133-S380 VanDerWaalsContact CD1-O 3.29Å; W133-S380 PolarHBondContact NE1-O 3.26Å; W133-P382 HydrophobicContact CH2-CB 4.46Å; W133-P382 HydrophobicContact CZ2-CB 3.69Å; W133-P383 HydrophobicContact CD2-CG 4.17Å; W133-P383 HydrophobicContact CE3-CG 4.12Å; W133-P383 HydrophobicContact CG-CG 4.41Å; W133-I518 HydrophobicContact CH2-CD1 4.26Å; W133-I518 HydrophobicContact CH2-CG2 4.2Å; W133-I518 HydrophobicContact CZ3-CG2 4.07Å; W133-M522 HydrophobicContact CH2-CE 4.37Å; W133-M522 HydrophobicContact CH2-SD 4.34Å; W133-M522 HydrophobicContact CZ3-CE 3.74Å; W133-M522 HydrophobicContact CZ3-SD 4.18Å
134F98.6Very high97.7Very high2 Ų228.3 Ų28.31%0.00914%0.144CC..Hα-helixtrans-59.4-42.6173.9-93.6-112.3000112.4I93 E94 P100 P119 I122 G130 F131 R136 C137 A138 L147 M522I93-F134 HydrophobicContact CB-CE1 3.99Å; I93-F134 HydrophobicContact CB-CZ 4.32Å; I93-F134 HydrophobicContact CD1-CE1 4.29Å; E94-F134 VanDerWaalsContact CD-CZ 3.42Å; E94-F134 HydrophobicContact CG-CE2 4.34Å; E94-F134 HydrophobicContact CG-CZ 3.8Å; E94-F134 WeakPolarHBondContact OE2-CZ 3.45Å; P100-F134 HydrophobicContact CG-CD1 4.05Å; P100-F134 HydrophobicContact CG-CD2 4.44Å; P100-F134 HydrophobicContact CG-CE1 3.83Å; P100-F134 HydrophobicContact CG-CE2 4.2Å; P100-F134 HydrophobicContact CG-CG 4.37Å; P100-F134 HydrophobicContact CG-CZ 3.89Å; P119-F134 HydrophobicContact CB-CB 4.1Å; P119-F134 HydrophobicContact CB-CD1 3.54Å; P119-F134 HydrophobicContact CB-CD2 4.11Å; P119-F134 HydrophobicContact CB-CE1 3.86Å; P119-F134 HydrophobicContact CB-CE2 4.43Å; P119-F134 HydrophobicContact CB-CG 3.65Å; P119-F134 HydrophobicContact CB-CZ 4.31Å; P119-F134 HydrophobicContact CG-CB 4.46Å; P119-F134 HydrophobicContact CG-CD1 4.47Å; P119-F134 HydrophobicContact CG-CG 4.49Å; I122-F134 HydrophobicContact CB-CE2 4.34Å; I122-F134 HydrophobicContact CD1-CE2 4.33Å; I122-F134 HydrophobicContact CG2-CD2 3.76Å; I122-F134 HydrophobicContact CG2-CE2 3.61Å; I122-F134 HydrophobicContact CG2-CZ 4.45Å; G130-F134 PolarHBondContact O-N 2.69Å; G130-F134 VanDerWaalsContact O-N 3.14Å; F131-F134 PolarHBondContact O-N 2.79Å; F134-R136 VanDerWaalsContact C-N 3.33Å; F134-R136 PolarHBondContact O-N 2.98Å; F134-C137 WeakPolarHBondContact O-CB 3.46Å; F134-C137 PolarHBondContact O-N 3.18Å; F134-A138 WeakPolarHBondContact O-CB 3.47Å; F134-A138 PolarHBondContact O-N 3.23Å; F134-L147 HydrophobicContact CB-CD1 4.18Å; F134-L147 HydrophobicContact CB-CD2 4.24Å; F134-L147 HydrophobicContact CD1-CD2 4.25Å; F134-M522 HydrophobicContact CE2-CE 4.09Å; F134-M522 HydrophobicContact CE2-SD 4.46Å; F134-M522 HydrophobicContact CZ-CE 4.36Å; F134-M522 HydrophobicContact CZ-SD 4.28Å
135A97.8Very high97.7Very high2 Ų228.5 Ų28.52%0.01715%0.145CC..Hα-helixtrans-58.7-44.5176.400000111.9F131 W133 A138 E139 L147 W174F131-A135 PolarHBondContact O-N 3.22Å; W133-A135 VanDerWaalsContact C-N 3.33Å; W133-A135 PolarHBondContact O-N 3.03Å; A135-A138 WeakPolarHBondContact O-CB 3.34Å; A135-A138 PolarHBondContact O-N 3.18Å; A135-E139 WeakPolarHBondContact O-CG 3.32Å; A135-E139 PolarHBondContact O-N 3.03Å; A135-L147 HydrophobicContact CB-CD1 3.98Å; A135-W174 HydrophobicContact CB-CE3 4.19Å; A135-W174 HydrophobicContact CB-CH2 4.14Å; A135-W174 HydrophobicContact CB-CZ3 3.54Å
136R97.7Very high97.7Very high86 Ų8628.4 Ų28.433%0.32514%0.143SC..Hα-helixtrans-66-39.8176.8171.517147.5-89.6-0.6112.7A132 W133 F134 A138 E139 Q140 S380A132-R136 PolarHBondContact O-N 2.93Å; A132-R136 PolarHBondContact O-NH1 3.02Å; A132-R136 VanDerWaalsContact O-NH1 3.14Å; W133-R136 PolarHBondContact O-N 3.47Å; F134-R136 VanDerWaalsContact C-N 3.33Å; F134-R136 PolarHBondContact O-N 2.98Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-E139 PolarHBondContact O-N 3.26Å; R136-Q140 VanDerWaalsContact CG-NE2 3.34Å; R136-Q140 VanDerWaalsContact O-CG 3.25Å; R136-Q140 WeakPolarHBondContact O-CG 3.4Å; R136-Q140 PolarHBondContact O-N 3.19Å; R136-S380 PolarHBondContact NE-O 2.92Å; R136-S380 VanDerWaalsContact NE-O 3.09Å
137C98.3Very high97.7Very high3 Ų325.9 Ų25.92%0.0213%0.131CC..Hα-helixtrans-59.8-46.1172.2-69.70000110.9P100 W133 F134 E139 Q140 A141P100-C137 HydrophobicContact CB-CB 3.72Å; P100-C137 HydrophobicContact CG-CB 4.03Å; W133-C137 PolarHBondContact NE1-SG 3.24Å; W133-C137 VanDerWaalsContact NE1-SG 3.44Å; W133-C137 PolarHBondContact O-N 2.98Å; W133-C137 PolarHBondContact O-SG 3.1Å; W133-C137 VanDerWaalsContact O-SG 3.37Å; F134-C137 WeakPolarHBondContact O-CB 3.46Å; F134-C137 PolarHBondContact O-N 3.18Å; C137-E139 VanDerWaalsContact C-N 3.34Å; C137-E139 PolarHBondContact O-N 3.19Å; C137-Q140 PolarHBondContact O-N 2.8Å; C137-Q140 VanDerWaalsContact O-N 3.09Å; C137-A141 PolarHBondContact O-N 3.21Å
138A97.8Very high97.8Very high1 Ų125.9 Ų25.91%0.00813%0.13CC..Hα-helixtrans-63.4-34.8179.800000113.6F134 A135 R136 Q140 Q145 Q179F134-A138 WeakPolarHBondContact O-CB 3.47Å; F134-A138 PolarHBondContact O-N 3.23Å; A135-A138 WeakPolarHBondContact O-CB 3.34Å; A135-A138 PolarHBondContact O-N 3.18Å; R136-A138 VanDerWaalsContact C-N 3.32Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q145 HydrophobicContact CB-CB 3.81Å; A138-Q145 WeakPolarHBondContact CB-O 3.34Å; A138-Q179 HydrophobicContact CB-CB 4.32Å; A138-Q179 HydrophobicContact CB-CG 4.09Å; A138-Q179 PolarHBondContact O-NE2 3.47Å
139E96.1Very high97.8Very high116 Ų11623 Ų2354%0.54212%0.116SC..Hα-helixtrans-67.7-31.3173.2-72.4174.615100113.1A135 R136 C137 H177 Q179A135-E139 WeakPolarHBondContact O-CG 3.32Å; A135-E139 PolarHBondContact O-N 3.03Å; R136-E139 PolarHBondContact O-N 3.26Å; C137-E139 VanDerWaalsContact C-N 3.34Å; C137-E139 PolarHBondContact O-N 3.19Å; E139-H177 IonicContact OE1-CE1 3.64Å; E139-H177 PolarHBondContact OE1-CE1 3.21Å; E139-H177 IonicContact OE1-NE2 3.13Å; E139-H177 PolarHBondContact OE1-NE2 2.87Å; E139-H177 VanDerWaalsContact OE1-NE2 3.17Å; E139-Q179 HydrophobicContact CG-CG 4.4Å
140Q96.4Very high97.8Very high67 Ų6720.2 Ų20.231%0.3139%0.094SC..Hα-helixtrans-90.4-14.3-177.2-65.717516.200113.1R136 C137 A138R136-Q140 VanDerWaalsContact CG-NE2 3.34Å; R136-Q140 VanDerWaalsContact O-CG 3.25Å; R136-Q140 WeakPolarHBondContact O-CG 3.4Å; R136-Q140 PolarHBondContact O-N 3.19Å; C137-Q140 PolarHBondContact O-N 2.8Å; C137-Q140 VanDerWaalsContact O-N 3.09Å; A138-Q140 VanDerWaalsContact C-N 3.32Å
141A97.4Very high97.8Very high11 Ų1120.2 Ų20.29%0.0919%0.094CC..  trans-68.6143.9-176.700000112.9C137 Q143 Q145C137-A141 PolarHBondContact O-N 3.21Å; A141-Q143 WeakPolarHBondContact CB-O 3.04Å; A141-Q145 HydrophobicContact CB-CB 4.47Å; A141-Q145 HydrophobicContact CB-CG 3.89Å
142R96.6Very high97.7Very high88 Ų8820.4 Ų20.433%0.33210%0.095SC..SBendtrans-74.5-47.2166.3-58.9179.5171.7163.70.6109.4E104 L108 V359 K360 E372E104-R142 VanDerWaalsContact OE1-CA 3.24Å; E104-R142 WeakPolarHBondContact OE1-CA 3.42Å; E104-R142 VanDerWaalsContact OE1-CB 3.22Å; E104-R142 WeakPolarHBondContact OE1-CB 3.1Å; E104-R142 PolarHBondContact OE1-N 3.41Å; L108-R142 HydrophobicContact CD2-CB 4.19Å; R142-V359 VanDerWaalsContact O-CG1 3.27Å; R142-V359 WeakPolarHBondContact O-CG1 3.24Å; R142-K360 PolarHBondContact O-NZ 3.26Å; R142-E372 IonicContact CZ-OE2 3.58Å; R142-E372 VanDerWaalsContact CZ-OE2 3.26Å; R142-E372 IonicContact NH1-OE2 3.93Å; R142-E372 PolarHBondContact NH1-OE2 3.39Å; R142-E372 VanDerWaalsContact NH1-OE2 3.11Å; R142-E372 IonicContact NH2-OE1 3.27Å; R142-E372 IonicContact NH2-OE2 3.16Å; R142-E372 PolarHBondContact NH2-OE2 2.76Å
143Q97.8Very high97.6Very high1 Ų119.8 Ų19.81%0.0059%0.089CC..SBendtrans-53.9145.3167.3-171.4-178.950.600110.3E104 T107 L108 L112 T113 A141 Q145E104-Q143 HydrophobicContact CG-CB 4.06Å; E104-Q143 PolarHBondContact OE1-N 3.14Å; T107-Q143 PolarHBondContact OG1-NE2 3.3Å; L108-Q143 HydrophobicContact CD1-CB 3.93Å; L108-Q143 HydrophobicContact CD1-CG 4.04Å; L108-Q143 HydrophobicContact CD2-CB 4.4Å; L112-Q143 PolarHBondContact O-NE2 3.17Å; T113-Q143 VanDerWaalsContact O-CG 3.27Å; T113-Q143 WeakPolarHBondContact O-CG 3.21Å; A141-Q143 WeakPolarHBondContact CB-O 3.04Å; Q143-Q145 HydrophobicContact CB-CG 4.33Å; Q143-Q145 HydrophobicContact CG-CG 4.32Å; Q143-Q145 PolarHBondContact O-N 2.92Å; Q143-Q145 VanDerWaalsContact O-N 3.1Å
144N97.9Very high97.4Very high5 Ų520.7 Ų20.73%0.02710%0.095CC..EExtended strand (participates in β ladder)trans-77.895.9171.5-48.3-69000108.9T113 T114 V115 Y146 Q340 D342 K360T113-N144 PolarHBondContact O-N 2.71Å; T113-N144 PolarHBondContact O-ND2 2.83Å; T114-N144 CarbonylContact C-O 3.54Å; T114-N144 VanDerWaalsContact CA-O 3.25Å; T114-N144 WeakPolarHBondContact CA-O 3.49Å; T114-N144 HydrophobicContact CG2-CB 3.95Å; T114-N144 PolarHBondContact OG1-ND2 3.17Å; V115-N144 PolarHBondContact N-O 2.94Å; N144-Y146 HydrophobicContact CB-CD2 4.32Å; N144-Y146 HydrophobicContact CB-CE2 3.66Å; N144-Q340 PolarHBondContact ND2-NE2 3.21Å; N144-Q340 PolarHBondContact OD1-NE2 2.72Å; N144-D342 PolarHBondContact ND2-OD2 2.93Å; N144-K360 WeakPolarHBondContact OD1-CE 3.15Å
145Q97.8Very high97.1Very high4 Ų420.8 Ų20.82%0.01910%0.096CC..EExtended strand (participates in β ladder)trans-95.1107.7173.9-60.3-171.8-4.400108.6P100 V115 A138 A141 Q143P100-Q145 PolarHBondContact O-NE2 2.85Å; V115-Q145 HydrophobicContact CG2-CB 3.98Å; V115-Q145 HydrophobicContact CG2-CG 3.72Å; A138-Q145 HydrophobicContact CB-CB 3.81Å; A138-Q145 WeakPolarHBondContact CB-O 3.34Å; A141-Q145 HydrophobicContact CB-CB 4.47Å; A141-Q145 HydrophobicContact CB-CG 3.89Å; Q143-Q145 HydrophobicContact CB-CG 4.33Å; Q143-Q145 HydrophobicContact CG-CG 4.32Å; Q143-Q145 PolarHBondContact O-N 2.92Å; Q143-Q145 VanDerWaalsContact O-N 3.1Å
146Y98.2Very high96.9Very high8 Ų821.1 Ų21.13%0.03110%0.098CC..EExtended strand (participates in β ladder)trans-100.7148.7171.4-62.1-72.2000109.6F9 T114 V115 I116 C117 N144 Q179 T181 L329 H331 L332F9-Y146 HydrophobicContact CB-CE1 4.45Å; F9-Y146 AromaticContact CD1-CD1 3.9Å; F9-Y146 HydrophobicContact CD1-CD1 3.9Å; F9-Y146 AromaticContact CD1-CE1 3.42Å; F9-Y146 HydrophobicContact CD1-CE1 3.42Å; F9-Y146 VanDerWaalsContact CD1-CE1 3.42Å; F9-Y146 AromaticContact CE1-CD1 3.97Å; F9-Y146 HydrophobicContact CE1-CD1 3.97Å; F9-Y146 AromaticContact CE1-CE1 3.99Å; F9-Y146 HydrophobicContact CE1-CE1 3.99Å; F9-Y146 HydrophobicContact CG-CE1 4.16Å; T114-Y146 HydrophobicContact CG2-CD2 3.74Å; T114-Y146 HydrophobicContact CG2-CE2 3.77Å; V115-Y146 PolarHBondContact O-N 2.99Å; I116-Y146 HydrophobicContact CD1-CD2 3.98Å; I116-Y146 HydrophobicContact CD1-CG 4.32Å; C117-Y146 PolarHBondContact N-O 2.93Å; N144-Y146 HydrophobicContact CB-CD2 4.32Å; N144-Y146 HydrophobicContact CB-CE2 3.66Å; Y146-Q179 CarbonylContact C-O 3.57Å; Y146-Q179 WeakPolarHBondContact CA-O 3.5Å; Y146-T181 HydrophobicContact CD1-CG2 3.83Å; Y146-T181 HydrophobicContact CG-CG2 3.78Å; Y146-L329 HydrophobicContact CD1-CD2 4.35Å; Y146-L329 HydrophobicContact CD2-CD1 3.58Å; Y146-L329 HydrophobicContact CD2-CD2 4.28Å; Y146-L329 HydrophobicContact CE1-CD2 3.94Å; Y146-L329 HydrophobicContact CE2-CD1 3.53Å; Y146-L329 HydrophobicContact CE2-CD2 3.84Å; Y146-L329 HydrophobicContact CE2-CG 4.31Å; Y146-L329 HydrophobicContact CG-CD1 4.3Å; Y146-H331 PolarHBondContact OH-NE2 2.84Å; Y146-L332 HydrophobicContact CE2-CD1 3.92Å
147L98.3Very high96.6Very high2 Ų224.5 Ų24.51%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-111.1143.4-179.7-57.3-179.7000110.3C117 F131 F134 A135 Q179 V180 T181C117-L147 HydrophobicContact CB-CD2 4.1Å; C117-L147 CarbonylContact O-C 3.54Å; C117-L147 VanDerWaalsContact O-CA 3.3Å; C117-L147 WeakPolarHBondContact O-CA 3.5Å; F131-L147 HydrophobicContact CE1-CD1 4.28Å; F131-L147 HydrophobicContact CE2-CB 4.42Å; F131-L147 HydrophobicContact CE2-CD1 4.4Å; F131-L147 HydrophobicContact CZ-CB 4.15Å; F131-L147 HydrophobicContact CZ-CD1 3.99Å; F134-L147 HydrophobicContact CB-CD1 4.18Å; F134-L147 HydrophobicContact CB-CD2 4.24Å; F134-L147 HydrophobicContact CD1-CD2 4.25Å; A135-L147 HydrophobicContact CB-CD1 3.98Å; L147-Q179 PolarHBondContact N-O 3.27Å; L147-V180 HydrophobicContact CB-CG2 4.35Å; L147-V180 CarbonylContact O-C 3.57Å; L147-V180 VanDerWaalsContact O-CA 3.32Å; L147-V180 WeakPolarHBondContact O-CA 3.4Å; L147-T181 PolarHBondContact O-N 2.65Å; L147-T181 PolarHBondContact O-OG1 3.47Å
148Q98.2Very high96.2Very high2 Ų226.4 Ų26.41%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-98.5137.3159.3-66.9-71.5-2.300108.1I116 C117 P119 S150 T181 G182 L183 A184 D212I116-Q148 HydrophobicContact CG2-CG 3.64Å; C117-Q148 PolarHBondContact O-N 2.91Å; P119-Q148 WeakPolarHBondContact CD-O 3.43Å; Q148-S150 PolarHBondContact O-N 3.39Å; Q148-T181 PolarHBondContact NE2-OG1 3.09Å; Q148-G182 VanDerWaalsContact OE1-N 3.11Å; Q148-G182 PolarHBondContact OE1-O 2.88Å; Q148-L183 VanDerWaalsContact OE1-N 3.1Å; Q148-L183 PolarHBondContact OE1-O 2.91Å; Q148-A184 HydrophobicContact CB-CB 3.37Å; Q148-A184 HydrophobicContact CG-CB 4.47Å; Q148-D212 VanDerWaalsContact CD-OD2 3.3Å; Q148-D212 WeakPolarHBondContact CG-OD2 3.32Å; Q148-D212 PolarHBondContact NE2-OD2 3.29Å; Q148-D212 VanDerWaalsContact NE2-OD2 3.16Å
149V98.6Very high96.1Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-74.1114.9177.5177.10000108.6F131 S151 F166 M171 W174 V180 G182 L183 A184 F206F131-V149 HydrophobicContact CE2-CG2 4.28Å; F131-V149 HydrophobicContact CZ-CG2 3.89Å; V149-S151 PolarHBondContact O-N 3.28Å; V149-F166 HydrophobicContact CG1-CE1 3.66Å; V149-F166 HydrophobicContact CG1-CZ 4.18Å; V149-M171 HydrophobicContact CG1-CB 3.77Å; V149-M171 HydrophobicContact CG1-CG 3.7Å; V149-W174 HydrophobicContact CG2-CB 4.18Å; V149-V180 HydrophobicContact CG2-CG1 3.65Å; V149-V180 HydrophobicContact CG2-CG2 4.1Å; V149-G182 PolarHBondContact N-O 3.02Å; V149-L183 HydrophobicContact CB-CD1 4.4Å; V149-L183 HydrophobicContact CG1-CD1 4.5Å; V149-L183 WeakPolarHBondContact O-CD1 3.25Å; V149-A184 WeakPolarHBondContact O-CB 3.49Å; V149-A184 PolarHBondContact O-N 3.13Å; V149-F206 HydrophobicContact CB-CE1 3.84Å; V149-F206 HydrophobicContact CB-CZ 4.06Å; V149-F206 HydrophobicContact CG1-CE1 4.26Å; V149-F206 HydrophobicContact CG1-CZ 3.96Å; V149-F206 HydrophobicContact CG2-CE1 3.78Å; V149-F206 HydrophobicContact CG2-CZ 4.17Å
150S98.2Very high96Very high0 Ų022.3 Ų22.30%012%0.12CC..  trans-54.4122.5-176-51.40000111.7D118 H120 Q148 M171D118-S150 WeakPolarHBondContact OD1-CB 3.47Å; D118-S150 PolarHBondContact OD1-OG 2.73Å; H120-S150 VanDerWaalsContact CA-OG 3.23Å; H120-S150 WeakPolarHBondContact CA-OG 3.48Å; H120-S150 PolarHBondContact N-OG 2.94Å; Q148-S150 PolarHBondContact O-N 3.39Å; S150-M171 WeakPolarHBondContact O-CE 3.4Å
151S97.3Very high96Very high1 Ų119.6 Ų19.61%0.00711%0.108CC..  trans-94.2-35.1-160.787.70000113.7V149 A184 E185 M186 K202V149-S151 PolarHBondContact O-N 3.28Å; S151-A184 WeakPolarHBondContact CB-O 3.48Å; S151-A184 PolarHBondContact OG-O 2.82Å; S151-E185 PolarHBondContact OG-O 2.96Å; S151-M186 WeakPolarHBondContact OG-CA 3.38Å; S151-K202 PolarHBondContact O-NZ 3.45Å
152C96.7Very high95.9Very high4 Ų420 Ų203%0.02711%0.109CC..  trans-120.590.4-174.1-61.10000110.1P154 A155 M186 M187C152-P154 CarbonylContact C-O 3.53Å; C152-P154 CarbonylContact O-C 3.45Å; C152-A155 PolarHBondContact O-N 3.36Å; C152-M186 VanDerWaalsContact SG-SD 3.7Å; C152-M187 HydrophobicContact CB-CG 3.48Å; C152-M187 VanDerWaalsContact CB-CG 3.48Å; C152-M187 HydrophobicContact CB-SD 3.89Å
153V96Very high95.9Very high10 Ų1017.3 Ų17.36%0.06111%0.108CC..SBendtrans-130.489.4-179.4-177.50000108.7V123 N162 F166V123-V153 HydrophobicContact CB-CG2 4.5Å; V123-V153 HydrophobicContact CG1-CG1 4.22Å; V123-V153 HydrophobicContact CG1-CG2 3.85Å; V153-N162 WeakPolarHBondContact CG1-ND2 3.15Å; V153-F166 HydrophobicContact CB-CB 3.89Å; V153-F166 HydrophobicContact CG1-CB 4.06Å; V153-F166 HydrophobicContact CG2-CB 4.18Å
154P93.5Very high95.8Very high21 Ų2118.5 Ų18.514%0.13612%0.118CC..SBendcis-73.7168.2531.3-36.3000115.1C152 L156 N162C152-P154 CarbonylContact C-O 3.53Å; C152-P154 CarbonylContact O-C 3.45Å; P154-L156 VanDerWaalsContact C-N 3.29Å; P154-L156 PolarHBondContact O-N 3.18Å; P154-N162 HydrophobicContact CB-CB 4.08Å
155A93.5Very high95.6Very high4 Ų421.7 Ų21.73%0.03314%0.141CC..SBendtrans-50-46.6173.500000113.1C152 M187 D474 L560 V562C152-A155 PolarHBondContact O-N 3.36Å; A155-M187 HydrophobicContact CB-CG 4.45Å; A155-M187 HydrophobicContact CB-SD 3.38Å; A155-M187 WeakPolarHBondContact CB-SD 3.43Å; A155-D474 HydrophobicContact CB-CB 4.24Å; A155-L560 HydrophobicContact CB-CD1 4.33Å; A155-V562 HydrophobicContact CB-CG1 4.29Å
156L93Very high95.6Very high10 Ų1021.7 Ų21.75%0.05214%0.141CC..SBendtrans-137.8125.2173-69.4173.4000109.8P154 G158 C159 D188 P561 V562 F574 F579P154-L156 VanDerWaalsContact C-N 3.29Å; P154-L156 PolarHBondContact O-N 3.18Å; L156-G158 PolarHBondContact O-N 3.34Å; L156-C159 HydrophobicContact CB-CB 3.81Å; L156-C159 PolarHBondContact O-N 2.7Å; L156-D188 HydrophobicContact CD2-CB 3.9Å; L156-D188 VanDerWaalsContact CD2-CG 3.46Å; L156-P561 HydrophobicContact CB-CG 4.49Å; L156-P561 HydrophobicContact CD1-CB 3.99Å; L156-P561 HydrophobicContact CD1-CG 3.93Å; L156-P561 HydrophobicContact CG-CG 4.43Å; L156-V562 HydrophobicContact CD1-CG1 3.77Å; L156-V562 HydrophobicContact CD2-CG1 3.99Å; L156-V562 HydrophobicContact CG-CG1 3.55Å; L156-F574 HydrophobicContact CD1-CE1 4.14Å; L156-F574 HydrophobicContact CD1-CZ 4.03Å; L156-F579 HydrophobicContact CD1-CD1 3.74Å; L156-F579 HydrophobicContact CD1-CE1 3.86Å; L156-F579 HydrophobicContact CD2-CD1 4.42Å; L156-F579 HydrophobicContact CD2-CE1 4.41Å
157E90.4Very high95.5Very high156 Ų15624.3 Ų24.373%0.72916%0.157SC*.THydrogen-bonded Turntrans-60.3134.3179.7-169.561.9-141.100111.1C159E157-C159 PolarHBondContact O-N 3.08Å; E157-C159 PolarHBondContact O-SG 2.89Å
158G91.7Very high95.5Very high43 Ų4326.5 Ų26.544%0.44317%0.169SC..THydrogen-bonded Turntrans70.43.3177.900000116.2L156 Q571L156-G158 PolarHBondContact O-N 3.34Å; G158-Q571 PolarHBondContact O-NE2 2.94Å
159C93.8Very high95.5Very high20 Ų2034.2 Ų34.214%0.13521%0.205CC..THydrogen-bonded Turntrans-98.6-17.2-176.9-620000113.8L156 E157 T569 F574 F581L156-C159 HydrophobicContact CB-CB 3.81Å; L156-C159 PolarHBondContact O-N 2.7Å; E157-C159 PolarHBondContact O-N 3.08Å; E157-C159 PolarHBondContact O-SG 2.89Å; C159-T569 VanDerWaalsContact O-CB 3.26Å; C159-T569 WeakPolarHBondContact O-CB 3.37Å; C159-T569 WeakPolarHBondContact O-CG2 3.32Å; C159-T569 PolarHBondContact O-OG1 3.24Å; C159-F574 HydrophobicContact CB-CD2 4.42Å; C159-F574 HydrophobicContact CB-CE2 3.95Å; C159-F574 HydrophobicContact CB-CZ 4.42Å; C159-F574 VanDerWaalsContact SG-CE2 3.54Å; C159-F581 VanDerWaalsContact O-CZ 3.32Å; C159-F581 WeakPolarHBondContact O-CZ 3.38Å
160D95.2Very high95.4Very high11 Ų1136.7 Ų36.76%0.05922%0.217CC..SBendtrans-152.5173.8176.3-160.15000110.4S475 N477 T569 S570 Q571D160-S475 VanDerWaalsContact CB-OG 3.25Å; D160-S475 WeakPolarHBondContact CB-OG 3.31Å; D160-S475 WeakPolarHBondContact OD2-CB 3.41Å; D160-S475 PolarHBondContact OD2-OG 3.25Å; D160-N477 PolarHBondContact OD1-ND2 3.33Å; D160-T569 HydrophobicContact CB-CG2 4.22Å; D160-S570 WeakPolarHBondContact OD1-CB 3.49Å; D160-S570 PolarHBondContact OD1-N 3.08Å; D160-S570 PolarHBondContact OD1-OG 3.34Å; D160-Q571 VanDerWaalsContact C-NE2 3.29Å; D160-Q571 VanDerWaalsContact N-NE2 3.18Å; D160-Q571 PolarHBondContact O-NE2 3.16Å; D160-Q571 VanDerWaalsContact O-NE2 3.07Å
161V96Very high95.4Very high10 Ų1036.7 Ų36.76%0.06122%0.217CC..  trans-103.1115.4174.1177.30000109.6E444 Y446 Q448 L450 S475 N477 S570 Q571V161-E444 HydrophobicContact CB-CG 3.89Å; V161-E444 HydrophobicContact CG1-CG 3.68Å; V161-E444 HydrophobicContact CG2-CG 4.22Å; V161-Y446 HydrophobicContact CG1-CD2 4.3Å; V161-Q448 HydrophobicContact CG1-CG 4.13Å; V161-Q448 VanDerWaalsContact CG1-NE2 3.26Å; V161-L450 HydrophobicContact CG2-CD1 3.59Å; V161-S475 WeakPolarHBondContact O-CB 3.29Å; V161-N477 PolarHBondContact O-ND2 2.9Å; V161-S570 PolarHBondContact N-OG 2.93Å; V161-Q571 HydrophobicContact CG2-CG 4.28Å
162N94.6Very high95.5Very high21 Ų2139.7 Ų39.711%0.11223%0.232CC..  trans-92.8159.6179.5-150.912000113N124 V153 P154 A164 Y446 S475N124-N162 VanDerWaalsContact CB-OD1 3.31Å; N124-N162 WeakPolarHBondContact CB-OD1 3.25Å; N124-N162 PolarHBondContact O-OD1 3.07Å; N124-N162 PolarHBondContact OD1-ND2 2.99Å; N124-N162 PolarHBondContact OD1-OD1 3.03Å; V153-N162 WeakPolarHBondContact CG1-ND2 3.15Å; P154-N162 HydrophobicContact CB-CB 4.08Å; N162-A164 PolarHBondContact ND2-O 3.05Å; N162-Y446 VanDerWaalsContact C-CD2 3.48Å; N162-S475 WeakPolarHBondContact OD1-CA 3.46Å
163G96.3Very high95.5Very high30 Ų3043 Ų4331%0.30926%0.26SS..SBendtrans-74.1-34.3176.500000112.9N124 V125 Y446N124-G163 CarbonylContact O-C 3.49Å; N124-G163 WeakPolarHBondContact O-CA 3.32Å; N124-G163 PolarHBondContact O-N 2.97Å; N124-G163 VanDerWaalsContact O-N 3.11Å; V125-G163 CarbonylContact O-C 3.57Å; G163-Y446 VanDerWaalsContact CA-CG 3.48Å; G163-Y446 VanDerWaalsContact CA-CZ 3.45Å
164A96.1Very high95.5Very high27 Ų2744.4 Ų44.422%0.22326%0.264CS..  trans-143178.9-179.800000112.1N124 G127 N162N124-A164 PolarHBondContact O-N 3.17Å; G127-A164 VanDerWaalsContact CA-CB 3.49Å; N162-A164 PolarHBondContact ND2-O 3.05Å
165S94.5Very high95.6Very high71 Ų7146.4 Ų46.450%0.49727%0.269SS..  trans-121155.6165.961.50000108.6
166F97.1Very high95.6Very high5 Ų550.4 Ų50.42%0.02229%0.29CS..  trans-130.693170.9-164.4-149.9000108.9V123 E128 F131 V149 V153 Q170 M171V123-F166 HydrophobicContact CG1-CB 3.83Å; V123-F166 HydrophobicContact CG1-CD1 3.62Å; V123-F166 HydrophobicContact CG1-CE1 4.24Å; V123-F166 HydrophobicContact CG1-CG 3.8Å; E128-F166 HydrophobicContact CB-CD2 4.23Å; E128-F166 HydrophobicContact CB-CE2 3.98Å; E128-F166 HydrophobicContact CG-CE2 4.28Å; F131-F166 HydrophobicContact CB-CZ 4.21Å; F131-F166 HydrophobicContact CD1-CZ 4.49Å; F131-F166 HydrophobicContact CD2-CE1 4.16Å; F131-F166 HydrophobicContact CD2-CZ 4.26Å; F131-F166 HydrophobicContact CG-CE1 4.39Å; F131-F166 HydrophobicContact CG-CZ 4.04Å; V149-F166 HydrophobicContact CG1-CE1 3.66Å; V149-F166 HydrophobicContact CG1-CZ 4.18Å; V153-F166 HydrophobicContact CB-CB 3.89Å; V153-F166 HydrophobicContact CG1-CB 4.06Å; V153-F166 HydrophobicContact CG2-CB 4.18Å; F166-Q170 HydrophobicContact CD2-CB 3.71Å; F166-Q170 HydrophobicContact CE2-CB 3.66Å; F166-M171 HydrophobicContact CB-CE 4.35Å; F166-M171 HydrophobicContact CD1-CE 4Å; F166-M171 HydrophobicContact CD1-CG 3.86Å; F166-M171 HydrophobicContact CD2-CG 4.5Å; F166-M171 HydrophobicContact CE1-CG 3.87Å; F166-M171 HydrophobicContact CE2-CG 4.48Å; F166-M171 HydrophobicContact CG-CE 4.34Å; F166-M171 HydrophobicContact CG-CG 4.19Å; F166-M171 HydrophobicContact CZ-CG 4.18Å; F166-M171 WeakPolarHBondContact O-CE 3.44Å
167T96.5Very high95.7Very high62 Ų6251.4 Ų51.438%0.3829%0.294SS..  trans-73.6157.8-172.963.10000111.4E169 Q170 M171T167-E169 PolarHBondContact O-N 3.46Å; T167-Q170 PolarHBondContact O-N 2.87Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.35Å; T167-Q170 PolarHBondContact OG1-N 2.91Å; T167-Q170 PolarHBondContact OG1-OE1 3.06Å; T167-M171 WeakPolarHBondContact O-CG 3.32Å; T167-M171 PolarHBondContact O-N 2.83Å
168L97.8Very high95.7Very high48 Ų4847.6 Ų47.625%0.25128%0.283SS..Hα-helixtrans-56.2-35.6175.3178.157.9000112.3Q170 M171 L172 D201 K202 A205 F206L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 2.8Å; L168-M171 HydrophobicContact CD1-SD 4.48Å; L168-M171 PolarHBondContact O-N 2.85Å; L168-L172 HydrophobicContact CD1-CD1 4.46Å; L168-L172 HydrophobicContact CD1-CG 4.12Å; L168-L172 HydrophobicContact CG-CD1 4.24Å; L168-L172 HydrophobicContact CG-CG 4.38Å; L168-L172 WeakPolarHBondContact O-CB 3.45Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 2.85Å; L168-D201 HydrophobicContact CD2-CB 3.89Å; L168-K202 HydrophobicContact CD1-CG 4.16Å; L168-A205 HydrophobicContact CD1-CB 3.88Å; L168-F206 HydrophobicContact CD1-CE2 4.3Å
169E97.9Very high95.9Very high165 Ų16547.1 Ų47.177%0.77127%0.269SS*.Hα-helixtrans-59.2-44.8175.6-176.4176.4177.600111.8T167 L172T167-E169 PolarHBondContact O-N 3.46Å; E169-L172 PolarHBondContact O-N 3.26Å
170Q98Very high96Very high51 Ų5146.1 Ų46.124%0.23826%0.263CS..Hα-helixtrans-68.8-43.3176.7-65.3170.6-67.400111.4E128 F166 T167 L168 L172 A173 W174E128-Q170 WeakPolarHBondContact OE2-CG 3.48Å; E128-Q170 PolarHBondContact OE2-NE2 2.8Å; F166-Q170 HydrophobicContact CD2-CB 3.71Å; F166-Q170 HydrophobicContact CE2-CB 3.66Å; T167-Q170 PolarHBondContact O-N 2.87Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.35Å; T167-Q170 PolarHBondContact OG1-N 2.91Å; T167-Q170 PolarHBondContact OG1-OE1 3.06Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 2.8Å; Q170-L172 PolarHBondContact O-N 3.41Å; Q170-A173 VanDerWaalsContact O-CB 3.31Å; Q170-A173 WeakPolarHBondContact O-CB 3.45Å; Q170-A173 PolarHBondContact O-N 3.36Å; Q170-A173 VanDerWaalsContact O-N 3.08Å; Q170-W174 VanDerWaalsContact O-CD1 3.26Å
171M98.4Very high96.1Very high0 Ų045.6 Ų45.60%026%0.26CS..Hα-helixtrans-55.5-41.3176.2-67.5169.8175.800111.8V149 S150 F166 T167 L168 A173 W174 R175 K202 F206V149-M171 HydrophobicContact CG1-CB 3.77Å; V149-M171 HydrophobicContact CG1-CG 3.7Å; S150-M171 WeakPolarHBondContact O-CE 3.4Å; F166-M171 HydrophobicContact CB-CE 4.35Å; F166-M171 HydrophobicContact CD1-CE 4Å; F166-M171 HydrophobicContact CD1-CG 3.86Å; F166-M171 HydrophobicContact CD2-CG 4.5Å; F166-M171 HydrophobicContact CE1-CG 3.87Å; F166-M171 HydrophobicContact CE2-CG 4.48Å; F166-M171 HydrophobicContact CG-CE 4.34Å; F166-M171 HydrophobicContact CG-CG 4.19Å; F166-M171 HydrophobicContact CZ-CG 4.18Å; F166-M171 WeakPolarHBondContact O-CE 3.44Å; T167-M171 WeakPolarHBondContact O-CG 3.32Å; T167-M171 PolarHBondContact O-N 2.83Å; L168-M171 HydrophobicContact CD1-SD 4.48Å; L168-M171 PolarHBondContact O-N 2.85Å; M171-A173 PolarHBondContact O-N 3.32Å; M171-W174 PolarHBondContact O-N 2.97Å; M171-R175 PolarHBondContact O-N 2.82Å; M171-K202 HydrophobicContact CE-CD 4.34Å; M171-K202 HydrophobicContact SD-CD 4.25Å; M171-K202 HydrophobicContact SD-CG 4.23Å; M171-F206 HydrophobicContact CB-CE2 4.04Å; M171-F206 HydrophobicContact CB-CZ 3.94Å
172L97.9Very high96.1Very high65 Ų6545.1 Ų45.134%0.3426%0.257SS..Hα-helixtrans-63.4-25.8179.9-76.7173.1000113.5L168 E169 Q170 W174 A205L168-L172 HydrophobicContact CD1-CD1 4.46Å; L168-L172 HydrophobicContact CD1-CG 4.12Å; L168-L172 HydrophobicContact CG-CD1 4.24Å; L168-L172 HydrophobicContact CG-CG 4.38Å; L168-L172 WeakPolarHBondContact O-CB 3.45Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 2.85Å; E169-L172 PolarHBondContact O-N 3.26Å; Q170-L172 PolarHBondContact O-N 3.41Å; L172-W174 PolarHBondContact O-N 3.37Å; L172-A205 HydrophobicContact CD2-CB 3.98Å
173A97Very high96.3Very high73 Ų7344.2 Ų44.260%0.60325%0.252SS*.Hα-helixtrans-65.5-26.3174.900000112.5Q170 M171Q170-A173 VanDerWaalsContact O-CB 3.31Å; Q170-A173 WeakPolarHBondContact O-CB 3.45Å; Q170-A173 PolarHBondContact O-N 3.36Å; Q170-A173 VanDerWaalsContact O-N 3.08Å; M171-A173 PolarHBondContact O-N 3.32Å
174W97.2Very high96.4Very high39 Ų3942.8 Ų42.815%0.14824%0.238CC..Hα-helixtrans-101.1-19.2-176.5-61.699000113.8E128 F131 A132 A135 V149 Q170 M171 L172 D176 H177 V180E128-W174 PolarHBondContact OE1-NE1 2.92Å; F131-W174 HydrophobicContact CD1-CB 4.26Å; F131-W174 AromaticContact CD1-CD1 3.85Å; F131-W174 AromaticContact CD1-CD2 3.42Å; F131-W174 HydrophobicContact CD1-CD2 3.42Å; F131-W174 VanDerWaalsContact CD1-CD2 3.42Å; F131-W174 AromaticContact CD1-CE2 3.64Å; F131-W174 AromaticContact CD1-CE3 3.86Å; F131-W174 HydrophobicContact CD1-CE3 3.86Å; F131-W174 AromaticContact CD1-CG 3.58Å; F131-W174 HydrophobicContact CD1-CG 3.58Å; F131-W174 HydrophobicContact CD1-CZ2 4.24Å; F131-W174 HydrophobicContact CD1-CZ3 4.42Å; F131-W174 AromaticContact CD1-NE1 3.92Å; F131-W174 HydrophobicContact CE1-CB 3.58Å; F131-W174 AromaticContact CE1-CD2 3.39Å; F131-W174 HydrophobicContact CE1-CD2 3.39Å; F131-W174 AromaticContact CE1-CE3 3.59Å; F131-W174 HydrophobicContact CE1-CE3 3.59Å; F131-W174 AromaticContact CE1-CG 3.37Å; F131-W174 HydrophobicContact CE1-CG 3.37Å; F131-W174 HydrophobicContact CE1-CZ3 4.42Å; F131-W174 HydrophobicContact CZ-CB 4.19Å; F131-W174 HydrophobicContact CZ-CG 4.37Å; A132-W174 HydrophobicContact CB-CH2 3.78Å; A132-W174 HydrophobicContact CB-CZ2 3.67Å; A135-W174 HydrophobicContact CB-CE3 4.19Å; A135-W174 HydrophobicContact CB-CH2 4.14Å; A135-W174 HydrophobicContact CB-CZ3 3.54Å; V149-W174 HydrophobicContact CG2-CB 4.18Å; Q170-W174 VanDerWaalsContact O-CD1 3.26Å; M171-W174 PolarHBondContact O-N 2.97Å; L172-W174 PolarHBondContact O-N 3.37Å; W174-D176 PolarHBondContact O-N 3.36Å; W174-H177 HydrophobicContact CE3-CB 4.43Å; W174-H177 AromaticContact CE3-CD2 3.97Å; W174-H177 AromaticContact CZ3-CD2 3.99Å; W174-H177 WeakPolarHBondContact O-CB 3.39Å; W174-H177 PolarHBondContact O-N 3.06Å; W174-V180 HydrophobicContact CB-CG2 4.43Å; W174-V180 WeakPolarHBondContact O-CB 3.33Å; W174-V180 WeakPolarHBondContact O-CG2 3.05Å
175R95.2Very high96.5Very high63 Ų6341.8 Ų41.824%0.23823%0.228CC..THydrogen-bonded Turntrans-50.2-36.7-176.5-174-177.869.4-173.9-9114.2K8 M171 A205 F206 L209K8-R175 PolarHBondContact NZ-O 3.22Å; M171-R175 PolarHBondContact O-N 2.82Å; R175-A205 WeakPolarHBondContact CD-O 3.42Å; R175-A205 PolarHBondContact NH1-O 2.91Å; R175-F206 HydrophobicContact CB-CE1 3.83Å; R175-F206 HydrophobicContact CB-CZ 3.92Å; R175-F206 HydrophobicContact CG-CD1 3.94Å; R175-F206 HydrophobicContact CG-CE1 3.71Å; R175-F206 HydrophobicContact CG-CZ 4.1Å; R175-L209 HydrophobicContact CG-CD1 3.77Å; R175-L209 WeakPolarHBondContact O-CD1 3.42Å
176D92.4Very high96.6Very high89 Ų8938.4 Ų38.448%0.47621%0.205SC..THydrogen-bonded Turntrans-98.28.1-178.2-65.3-50.3000114.5K8 W174K8-D176 WeakPolarHBondContact CE-OD1 3.47Å; K8-D176 IonicContact NZ-OD1 3.36Å; K8-D176 PolarHBondContact NZ-OD1 3.33Å; W174-D176 PolarHBondContact O-N 3.36Å
177H94.6Very high96.6Very high30 Ų3038.3 Ų38.314%0.13920%0.204CC..  trans-66.2140.9177.8-166.1-92.6000112E139 W174 Q179 V180E139-H177 IonicContact OE1-CE1 3.64Å; E139-H177 PolarHBondContact OE1-CE1 3.21Å; E139-H177 IonicContact OE1-NE2 3.13Å; E139-H177 PolarHBondContact OE1-NE2 2.87Å; E139-H177 VanDerWaalsContact OE1-NE2 3.17Å; W174-H177 HydrophobicContact CE3-CB 4.43Å; W174-H177 AromaticContact CE3-CD2 3.97Å; W174-H177 AromaticContact CZ3-CD2 3.99Å; W174-H177 WeakPolarHBondContact O-CB 3.39Å; W174-H177 PolarHBondContact O-N 3.06Å; H177-Q179 PolarHBondContact ND1-N 3.36Å; H177-Q179 PolarHBondContact O-N 2.85Å; H177-Q179 VanDerWaalsContact O-N 3.11Å; H177-V180 HydrophobicContact CB-CB 4.2Å; H177-V180 HydrophobicContact CB-CG2 3.9Å; H177-V180 PolarHBondContact O-N 2.94Å
178P92.5Very high96.5Very high76 Ų7636.2 Ų36.249%0.49419%0.19SC..THydrogen-bonded Turntrans-62.1-20-178.2-25.635.1000115.6F9F9-P178 WeakPolarHBondContact CD1-O 3.33Å; F9-P178 WeakPolarHBondContact CE1-O 3.49Å
179Q95Very high96.4Very high33 Ų3335 Ų3515%0.15418%0.183CC..THydrogen-bonded Turntrans-96.4-1.7175.4-58.7-60.536.400114.2A138 E139 Y146 L147 H177A138-Q179 HydrophobicContact CB-CB 4.32Å; A138-Q179 HydrophobicContact CB-CG 4.09Å; A138-Q179 PolarHBondContact O-NE2 3.47Å; E139-Q179 HydrophobicContact CG-CG 4.4Å; Y146-Q179 CarbonylContact C-O 3.57Å; Y146-Q179 WeakPolarHBondContact CA-O 3.5Å; L147-Q179 PolarHBondContact N-O 3.27Å; H177-Q179 PolarHBondContact ND1-N 3.36Å; H177-Q179 PolarHBondContact O-N 2.85Å; H177-Q179 VanDerWaalsContact O-N 3.11Å
180V96.6Very high96.2Very high0 Ų028.6 Ų28.60%016%0.155CC..EExtended strand (participates in β ladder)trans-95.9121.2-177.2165.90000111.3F9 F131 L147 V149 W174 H177 L209F9-V180 WeakPolarHBondContact CZ-O 3.06Å; F131-V180 HydrophobicContact CE1-CG2 4.34Å; F131-V180 HydrophobicContact CZ-CG2 3.94Å; L147-V180 HydrophobicContact CB-CG2 4.35Å; L147-V180 CarbonylContact O-C 3.57Å; L147-V180 VanDerWaalsContact O-CA 3.32Å; L147-V180 WeakPolarHBondContact O-CA 3.4Å; V149-V180 HydrophobicContact CG2-CG1 3.65Å; V149-V180 HydrophobicContact CG2-CG2 4.1Å; W174-V180 HydrophobicContact CB-CG2 4.43Å; W174-V180 WeakPolarHBondContact O-CB 3.33Å; W174-V180 WeakPolarHBondContact O-CG2 3.05Å; H177-V180 HydrophobicContact CB-CB 4.2Å; H177-V180 HydrophobicContact CB-CG2 3.9Å; H177-V180 PolarHBondContact O-N 2.94Å; V180-L209 HydrophobicContact CG1-CD1 4.45Å
181T96.2Very high96.1Very high0 Ų026.1 Ų26.10%014%0.144CC..EExtended strand (participates in β ladder)trans-101.5-11.2-177.853.10000114.5F9 Y146 L147 Q148 T210 L329F9-T181 HydrophobicContact CE1-CG2 3.84Å; F9-T181 HydrophobicContact CE2-CG2 4.34Å; F9-T181 HydrophobicContact CZ-CG2 3.7Å; Y146-T181 HydrophobicContact CD1-CG2 3.83Å; Y146-T181 HydrophobicContact CG-CG2 3.78Å; L147-T181 PolarHBondContact O-N 2.65Å; L147-T181 PolarHBondContact O-OG1 3.47Å; Q148-T181 PolarHBondContact NE2-OG1 3.09Å; T181-T210 PolarHBondContact O-N 3.01Å; T181-T210 PolarHBondContact O-OG1 3.09Å; T181-L329 HydrophobicContact CG2-CD1 4.48Å; T181-L329 HydrophobicContact CG2-CD2 4.05Å; T181-L329 HydrophobicContact CG2-CG 4.48Å
182G97Very high96.1Very high0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans170.4-159.8-179.700000115.5Q148 V149 T210Q148-G182 VanDerWaalsContact OE1-N 3.11Å; Q148-G182 PolarHBondContact OE1-O 2.88Å; V149-G182 PolarHBondContact N-O 3.02Å; G182-T210 CarbonylContact C-O 3.58Å; G182-T210 WeakPolarHBondContact CA-O 3.29Å
183L98.2Very high96.1Very high1 Ų125.7 Ų25.71%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-101.2131.7169.9-169.773000108.3Q148 V149 M186 K202 L203 F206 T210 L211 D212Q148-L183 VanDerWaalsContact OE1-N 3.1Å; Q148-L183 PolarHBondContact OE1-O 2.91Å; V149-L183 HydrophobicContact CB-CD1 4.4Å; V149-L183 HydrophobicContact CG1-CD1 4.5Å; V149-L183 WeakPolarHBondContact O-CD1 3.25Å; L183-M186 HydrophobicContact CD2-CE 3.47Å; L183-M186 VanDerWaalsContact CD2-CE 3.47Å; L183-M186 HydrophobicContact CG-CE 4.41Å; L183-K202 HydrophobicContact CD2-CB 4.28Å; L183-L203 HydrophobicContact CD2-CD2 4.01Å; L183-F206 HydrophobicContact CB-CB 3.83Å; L183-F206 HydrophobicContact CB-CD1 3.95Å; L183-F206 HydrophobicContact CB-CG 3.89Å; L183-F206 HydrophobicContact CD1-CD1 4.22Å; L183-F206 HydrophobicContact CD1-CD2 3.93Å; L183-F206 HydrophobicContact CD1-CE1 4.34Å; L183-F206 HydrophobicContact CD1-CE2 4.06Å; L183-F206 HydrophobicContact CD1-CG 4.03Å; L183-F206 HydrophobicContact CD1-CZ 4.28Å; L183-F206 HydrophobicContact CD2-CB 4.45Å; L183-F206 HydrophobicContact CG-CG 4.4Å; L183-T210 PolarHBondContact N-O 3.36Å; L183-L211 HydrophobicContact CB-CD2 3.78Å; L183-L211 HydrophobicContact CD2-CD2 4.2Å; L183-D212 PolarHBondContact O-N 3.46Å
184A98.3Very high96Very high1 Ų126.2 Ų26.21%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-73.2-177-176.300000112.7D118 Q148 V149 S151 M186D118-A184 HydrophobicContact CB-CB 3.85Å; D118-A184 WeakPolarHBondContact OD1-CB 3.42Å; D118-A184 WeakPolarHBondContact OD2-CB 3.38Å; Q148-A184 HydrophobicContact CB-CB 3.37Å; Q148-A184 HydrophobicContact CG-CB 4.47Å; V149-A184 WeakPolarHBondContact O-CB 3.49Å; V149-A184 PolarHBondContact O-N 3.13Å; S151-A184 WeakPolarHBondContact CB-O 3.48Å; S151-A184 PolarHBondContact OG-O 2.82Å; A184-M186 PolarHBondContact O-N 3.41Å; A184-M186 VanDerWaalsContact O-N 3.16Å
185E97.5Very high96Very high6 Ų625.9 Ų25.93%0.02815%0.15CC..EExtended strand (participates in β ladder)trans-54.9120.5-165.870.8-179.2108.200112.8H90 H92 H120 S151 M187 H214 H235H90-E185 IonicContact CE1-OE1 3.74Å; H90-E185 PolarHBondContact CE1-OE1 3.01Å; H90-E185 IonicContact NE2-OE1 3.11Å; H90-E185 PolarHBondContact NE2-OE1 2.89Å; H92-E185 IonicContact CE1-OE1 3.26Å; H92-E185 PolarHBondContact CE1-OE1 3.27Å; H92-E185 IonicContact NE2-OE1 2.63Å; H92-E185 PolarHBondContact NE2-OE1 3.05Å; H120-E185 IonicContact CE1-OE1 2.66Å; H120-E185 PolarHBondContact CE1-OE1 3.15Å; H120-E185 IonicContact ND1-OE1 3.77Å; S151-E185 PolarHBondContact OG-O 2.96Å; E185-M187 HydrophobicContact CG-CE 3.81Å; E185-M187 PolarHBondContact O-N 2.85Å; E185-M187 VanDerWaalsContact O-N 3.08Å; E185-H214 HydrophobicContact CB-CB 4.04Å; E185-H214 HydrophobicContact CG-CB 4.35Å; E185-H214 WeakPolarHBondContact OE2-CB 3.48Å; E185-H214 IonicContact OE2-CE1 3.55Å; E185-H214 IonicContact OE2-CG 3.8Å; E185-H214 IonicContact OE2-ND1 3.99Å; E185-H214 PolarHBondContact OE2-ND1 3.09Å; E185-H235 IonicContact OE1-CE1 3.87Å; E185-H235 IonicContact OE2-CE1 2.96Å; E185-H235 PolarHBondContact OE2-CE1 3.22Å; E185-H235 IonicContact OE2-NE2 2.94Å; E185-H235 PolarHBondContact OE2-NE2 2.83Å
186M97.9Very high96.1Very high0 Ų027.3 Ų27.30%016%0.159CC..EExtended strand (participates in β ladder)trans-8675.4-177.5-173.958.461.700111.2S151 C152 L183 A184 D188 V192 L199 L203 D212 Y226 I231S151-M186 WeakPolarHBondContact OG-CA 3.38Å; C152-M186 VanDerWaalsContact SG-SD 3.7Å; L183-M186 HydrophobicContact CD2-CE 3.47Å; L183-M186 VanDerWaalsContact CD2-CE 3.47Å; L183-M186 HydrophobicContact CG-CE 4.41Å; A184-M186 PolarHBondContact O-N 3.41Å; A184-M186 VanDerWaalsContact O-N 3.16Å; M186-D188 PolarHBondContact O-N 3.35Å; M186-V192 HydrophobicContact CG-CG2 3.54Å; M186-V192 HydrophobicContact SD-CG2 4.13Å; M186-L199 HydrophobicContact SD-CD2 4.07Å; M186-L203 HydrophobicContact CE-CD2 3.78Å; M186-L203 HydrophobicContact CE-CG 4.43Å; M186-L203 HydrophobicContact CG-CD2 4.33Å; M186-D212 PolarHBondContact N-O 3.32Å; M186-Y226 HydrophobicContact CG-CE2 4.47Å; M186-Y226 PolarHBondContact O-OH 3.01Å; M186-I231 HydrophobicContact CB-CD1 3.77Å; M186-I231 HydrophobicContact CG-CD1 4.2Å
187M96.1Very high96.4Very high3 Ų328.8 Ų28.82%0.01517%0.167CC..  trans-71.5-21.9-174.462.2-178.169.200115.8C152 A155 E185 Y189 H214 D474 V562C152-M187 HydrophobicContact CB-CG 3.48Å; C152-M187 VanDerWaalsContact CB-CG 3.48Å; C152-M187 HydrophobicContact CB-SD 3.89Å; A155-M187 HydrophobicContact CB-CG 4.45Å; A155-M187 HydrophobicContact CB-SD 3.38Å; A155-M187 WeakPolarHBondContact CB-SD 3.43Å; E185-M187 HydrophobicContact CG-CE 3.81Å; E185-M187 PolarHBondContact O-N 2.85Å; E185-M187 VanDerWaalsContact O-N 3.08Å; M187-Y189 VanDerWaalsContact O-CD1 3.29Å; M187-Y189 WeakPolarHBondContact O-CD1 3.27Å; M187-Y189 PolarHBondContact O-N 2.78Å; M187-H214 HydrophobicContact CB-CB 3.87Å; M187-D474 VanDerWaalsContact CE-OD2 3.23Å; M187-D474 WeakPolarHBondContact CE-OD2 3.42Å; M187-V562 HydrophobicContact CB-CB 4.32Å; M187-V562 HydrophobicContact CB-CG1 4.23Å; M187-V562 HydrophobicContact CB-CG2 4.09Å; M187-V562 HydrophobicContact CG-CG1 4.2Å; M187-V562 HydrophobicContact CG-CG2 4.45Å; M187-V562 HydrophobicContact SD-CG1 4.44Å; M187-V562 HydrophobicContact SD-CG2 4.13Å
188D96Very high96.4Very high17 Ų1730.5 Ų30.59%0.09119%0.186CC..  trans-75.957.7167.4-166.9-7.2000110.8L156 M186 P190 G191 V192 L199L156-D188 HydrophobicContact CD2-CB 3.9Å; L156-D188 VanDerWaalsContact CD2-CG 3.46Å; M186-D188 PolarHBondContact O-N 3.35Å; D188-P190 VanDerWaalsContact C-N 3.34Å; D188-G191 PolarHBondContact O-N 3.18Å; D188-G191 WeakPolarHBondContact OD1-CA 3.38Å; D188-G191 PolarHBondContact OD1-N 3.37Å; D188-V192 WeakPolarHBondContact O-CG2 3.43Å; D188-V192 PolarHBondContact O-N 3.3Å; D188-L199 HydrophobicContact CB-CD1 3.88Å; D188-L199 HydrophobicContact CB-CD2 4.39Å; D188-L199 WeakPolarHBondContact OD2-CD1 3.47Å
189Y95.1Very high96.6Very high22 Ų2227.3 Ų27.39%0.08617%0.165CC..Hα-helixtrans-59.8-35.4176.368.7-97.1000112.9M187 G191 V192 I193 H214 P216 L218 Y226 F579M187-Y189 VanDerWaalsContact O-CD1 3.29Å; M187-Y189 WeakPolarHBondContact O-CD1 3.27Å; M187-Y189 PolarHBondContact O-N 2.78Å; Y189-G191 VanDerWaalsContact C-N 3.35Å; Y189-G191 PolarHBondContact O-N 3.3Å; Y189-V192 PolarHBondContact O-N 2.74Å; Y189-I193 HydrophobicContact CD2-CD1 3.97Å; Y189-I193 WeakPolarHBondContact O-CB 3.32Å; Y189-I193 VanDerWaalsContact O-CD1 3.29Å; Y189-I193 WeakPolarHBondContact O-CD1 3.28Å; Y189-I193 WeakPolarHBondContact O-CG1 3.49Å; Y189-I193 PolarHBondContact O-N 2.96Å; Y189-H214 WeakPolarHBondContact CD1-O 3.34Å; Y189-P216 HydrophobicContact CE1-CG 4.46Å; Y189-L218 HydrophobicContact CD2-CD1 3.88Å; Y189-L218 HydrophobicContact CD2-CD2 4.31Å; Y189-L218 HydrophobicContact CE2-CD1 3.87Å; Y189-Y226 VanDerWaalsContact CB-CE2 3.47Å; Y189-F579 AromaticContact CE1-CZ 3.93Å; Y189-F579 HydrophobicContact CE1-CZ 3.93Å; Y189-F579 HydrophobicContact CE2-CE2 4.17Å; Y189-F579 HydrophobicContact CE2-CZ 4.1Å; Y189-F579 AromaticContact CZ-CE2 3.88Å; Y189-F579 AromaticContact CZ-CZ 3.5Å; Y189-F579 VanDerWaalsContact CZ-CZ 3.5Å; Y189-F579 WeakPolarHBondContact OH-CE2 3.41Å; Y189-F579 VanDerWaalsContact OH-CZ 3.25Å; Y189-F579 WeakPolarHBondContact OH-CZ 3.46Å
190P94.1Very high96.8Very high31 Ų3128.7 Ų28.720%0.20117%0.173CC..Hα-helixtrans-65.3-39.1174.9-16.830.5000111.9D188 V192 I193 S194 F579D188-P190 VanDerWaalsContact C-N 3.34Å; P190-V192 VanDerWaalsContact C-N 3.34Å; P190-I193 PolarHBondContact O-N 2.95Å; P190-S194 WeakPolarHBondContact O-CB 3.22Å; P190-S194 PolarHBondContact O-N 3.2Å; P190-S194 PolarHBondContact O-OG 2.81Å; P190-F579 HydrophobicContact CB-CD2 4.41Å; P190-F579 HydrophobicContact CB-CE2 4.45Å; P190-F579 HydrophobicContact CB-CG 4.49Å; P190-F579 HydrophobicContact CG-CD1 3.74Å; P190-F579 HydrophobicContact CG-CD2 3.74Å; P190-F579 HydrophobicContact CG-CE1 3.42Å; P190-F579 VanDerWaalsContact CG-CE1 3.42Å; P190-F579 HydrophobicContact CG-CE2 3.4Å; P190-F579 VanDerWaalsContact CG-CE2 3.4Å; P190-F579 HydrophobicContact CG-CG 3.9Å; P190-F579 HydrophobicContact CG-CZ 3.24Å
191G95.7Very high96.9Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-63-41.1175.200000112.1D188 Y189 S194 G195 Q196 L199D188-G191 PolarHBondContact O-N 3.18Å; D188-G191 WeakPolarHBondContact OD1-CA 3.38Å; D188-G191 PolarHBondContact OD1-N 3.37Å; Y189-G191 VanDerWaalsContact C-N 3.35Å; Y189-G191 PolarHBondContact O-N 3.3Å; G191-S194 WeakPolarHBondContact CA-OG 3.36Å; G191-S194 PolarHBondContact O-OG 3.37Å; G191-S194 VanDerWaalsContact O-OG 3.11Å; G191-G195 PolarHBondContact O-N 2.92Å; G191-Q196 VanDerWaalsContact CA-CD 3.49Å; G191-Q196 VanDerWaalsContact CA-NE2 3.33Å; G191-Q196 WeakPolarHBondContact O-CB 3.15Å; G191-Q196 WeakPolarHBondContact O-CG 3.46Å; G191-Q196 PolarHBondContact O-N 2.91Å; G191-L199 VanDerWaalsContact C-CD1 3.41Å; G191-L199 VanDerWaalsContact CA-CD1 3.47Å
192V97.6Very high97Very high6 Ų634.5 Ų34.54%0.03620%0.203CC..Hα-helixtrans-63-49173.9173.60000111.2M186 D188 Y189 P190 S194 G195 L199 L203 Y226 A229M186-V192 HydrophobicContact CG-CG2 3.54Å; M186-V192 HydrophobicContact SD-CG2 4.13Å; D188-V192 WeakPolarHBondContact O-CG2 3.43Å; D188-V192 PolarHBondContact O-N 3.3Å; Y189-V192 PolarHBondContact O-N 2.74Å; P190-V192 VanDerWaalsContact C-N 3.34Å; V192-S194 VanDerWaalsContact C-N 3.3Å; V192-S194 PolarHBondContact O-N 3.11Å; V192-G195 PolarHBondContact O-N 2.96Å; V192-L199 HydrophobicContact CG2-CB 4.2Å; V192-L199 HydrophobicContact CG2-CD1 4.16Å; V192-L203 HydrophobicContact CG1-CD1 3.96Å; V192-L203 HydrophobicContact CG2-CD1 4.09Å; V192-Y226 HydrophobicContact CB-CD2 4.03Å; V192-Y226 HydrophobicContact CB-CE2 4.17Å; V192-Y226 HydrophobicContact CG1-CD2 3.84Å; V192-Y226 HydrophobicContact CG1-CE2 4.24Å; V192-Y226 HydrophobicContact CG2-CE2 4.3Å; V192-A229 HydrophobicContact CG1-CB 3.39Å
193I97.3Very high97Very high50 Ų5034.6 Ų34.626%0.25620%0.203SC..Hα-helixtrans-62.2-38.6-178.1-68.9159.2000111.5Y189 P190 G195 L218 E222 A225Y189-I193 HydrophobicContact CD2-CD1 3.97Å; Y189-I193 WeakPolarHBondContact O-CB 3.32Å; Y189-I193 VanDerWaalsContact O-CD1 3.29Å; Y189-I193 WeakPolarHBondContact O-CD1 3.28Å; Y189-I193 WeakPolarHBondContact O-CG1 3.49Å; Y189-I193 PolarHBondContact O-N 2.96Å; P190-I193 PolarHBondContact O-N 2.95Å; I193-G195 PolarHBondContact O-N 3.02Å; I193-L218 HydrophobicContact CD1-CD1 4.02Å; I193-L218 HydrophobicContact CD1-CD2 4.01Å; I193-E222 HydrophobicContact CD1-CB 3.97Å; I193-A225 HydrophobicContact CG1-CB 4.27Å; I193-A225 HydrophobicContact CG2-CB 4.1Å
194S96.7Very high97Very high84 Ų8439.4 Ų39.459%0.58723%0.229SC*.Hα-helixtrans-76.5-7.7177.459.10000113.7P190 G191 V192P190-S194 WeakPolarHBondContact O-CB 3.22Å; P190-S194 PolarHBondContact O-N 3.2Å; P190-S194 PolarHBondContact O-OG 2.81Å; G191-S194 WeakPolarHBondContact CA-OG 3.36Å; G191-S194 PolarHBondContact O-OG 3.37Å; G191-S194 VanDerWaalsContact O-OG 3.11Å; V192-S194 VanDerWaalsContact C-N 3.3Å; V192-S194 PolarHBondContact O-N 3.11Å
195G97.3Very high97Very high32 Ų3240.1 Ų40.133%0.3324%0.235SC..THydrogen-bonded Turntrans7536.5177.800000113.4G191 V192 I193 N197G191-G195 PolarHBondContact O-N 2.92Å; V192-G195 PolarHBondContact O-N 2.96Å; I193-G195 PolarHBondContact O-N 3.02Å; G195-N197 PolarHBondContact O-N 3.38Å
196Q96.9Very high97Very high92 Ų9239.8 Ų39.843%0.4323%0.233SC..  trans-63122.3176-67.1-175.323.400110.9G191 A198 L199 L200G191-Q196 VanDerWaalsContact CA-CD 3.49Å; G191-Q196 VanDerWaalsContact CA-NE2 3.33Å; G191-Q196 WeakPolarHBondContact O-CB 3.15Å; G191-Q196 WeakPolarHBondContact O-CG 3.46Å; G191-Q196 PolarHBondContact O-N 2.91Å; Q196-A198 VanDerWaalsContact C-N 3.31Å; Q196-A198 PolarHBondContact O-N 3.32Å; Q196-L199 HydrophobicContact CB-CD1 4.32Å; Q196-L199 HydrophobicContact CB-CG 4.49Å; Q196-L199 PolarHBondContact O-N 3.05Å; Q196-L199 VanDerWaalsContact O-N 3.09Å; Q196-L200 WeakPolarHBondContact O-CG 3.35Å; Q196-L200 PolarHBondContact O-N 3.02Å
197N97.6Very high96.9Very high121 Ų12146.5 Ų46.565%0.64726%0.259SS*.Hα-helixtrans-53.9-44.5-174.1-70.6-32.3000112.9G195 L199 L200 D201G195-N197 PolarHBondContact O-N 3.38Å; N197-L199 PolarHBondContact O-N 3.5Å; N197-L200 PolarHBondContact O-N 3.02Å; N197-L200 VanDerWaalsContact O-N 3.15Å; N197-D201 WeakPolarHBondContact O-CB 3.11Å; N197-D201 PolarHBondContact O-N 2.91Å
198A95.6Very high96.7Very high66 Ų6649.2 Ų49.255%0.54527%0.271SS..Hα-helixtrans-59.5-33.9-177.500000113.3Q196 K202Q196-A198 VanDerWaalsContact C-N 3.31Å; Q196-A198 PolarHBondContact O-N 3.32Å; A198-K202 WeakPolarHBondContact O-CG 3.37Å; A198-K202 PolarHBondContact O-N 3.39Å
199L97.1Very high96.7Very high9 Ų948.5 Ų48.55%0.04727%0.267CS..Hα-helixtrans-80.4-42.1176.5-60174.9000111.1M186 D188 G191 V192 Q196 N197 D201 K202 L203M186-L199 HydrophobicContact SD-CD2 4.07Å; D188-L199 HydrophobicContact CB-CD1 3.88Å; D188-L199 HydrophobicContact CB-CD2 4.39Å; D188-L199 WeakPolarHBondContact OD2-CD1 3.47Å; G191-L199 VanDerWaalsContact C-CD1 3.41Å; G191-L199 VanDerWaalsContact CA-CD1 3.47Å; V192-L199 HydrophobicContact CG2-CB 4.2Å; V192-L199 HydrophobicContact CG2-CD1 4.16Å; Q196-L199 HydrophobicContact CB-CD1 4.32Å; Q196-L199 HydrophobicContact CB-CG 4.49Å; Q196-L199 PolarHBondContact O-N 3.05Å; Q196-L199 VanDerWaalsContact O-N 3.09Å; N197-L199 PolarHBondContact O-N 3.5Å; L199-D201 VanDerWaalsContact C-N 3.26Å; L199-D201 PolarHBondContact O-N 3.16Å; L199-K202 HydrophobicContact CD2-CD 4.49Å; L199-K202 WeakPolarHBondContact O-CB 3.47Å; L199-K202 PolarHBondContact O-N 2.9Å; L199-K202 VanDerWaalsContact O-N 3.14Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 3.05Å
200L97.9Very high96.7Very high61 Ų6147.6 Ų47.632%0.31926%0.264SS..Hα-helixtrans-60.9-36.4175.5-63.6-175000112.1Q196 N197 K202 L203 D204Q196-L200 WeakPolarHBondContact O-CG 3.35Å; Q196-L200 PolarHBondContact O-N 3.02Å; N197-L200 PolarHBondContact O-N 3.02Å; N197-L200 VanDerWaalsContact O-N 3.15Å; L200-K202 VanDerWaalsContact C-N 3.35Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L203 PolarHBondContact O-N 3.38Å; L200-D204 WeakPolarHBondContact O-CB 3.4Å; L200-D204 PolarHBondContact O-N 3.35Å
201D98.3Very high96.9Very high91 Ų9146.3 Ų46.349%0.48726%0.255SS..Hα-helixtrans-63.1-40.6175.7-69-22.5000111L168 N197 L199 A205L168-D201 HydrophobicContact CD2-CB 3.89Å; N197-D201 WeakPolarHBondContact O-CB 3.11Å; N197-D201 PolarHBondContact O-N 2.91Å; L199-D201 VanDerWaalsContact C-N 3.26Å; L199-D201 PolarHBondContact O-N 3.16Å; D201-A205 VanDerWaalsContact O-CB 3.22Å; D201-A205 WeakPolarHBondContact O-CB 3.46Å; D201-A205 PolarHBondContact O-N 3.22Å
202K98.2Very high97Very high31 Ų3146.3 Ų46.314%0.13526%0.256CS..Hα-helixtrans-63.4-49.3172.4-67.2172.2-178.4-179.70111S151 L168 M171 L183 A198 L199 L200 D204 A205 F206S151-K202 PolarHBondContact O-NZ 3.45Å; L168-K202 HydrophobicContact CD1-CG 4.16Å; M171-K202 HydrophobicContact CE-CD 4.34Å; M171-K202 HydrophobicContact SD-CD 4.25Å; M171-K202 HydrophobicContact SD-CG 4.23Å; L183-K202 HydrophobicContact CD2-CB 4.28Å; A198-K202 WeakPolarHBondContact O-CG 3.37Å; A198-K202 PolarHBondContact O-N 3.39Å; L199-K202 HydrophobicContact CD2-CD 4.49Å; L199-K202 WeakPolarHBondContact O-CB 3.47Å; L199-K202 PolarHBondContact O-N 2.9Å; L199-K202 VanDerWaalsContact O-N 3.14Å; L200-K202 VanDerWaalsContact C-N 3.35Å; K202-D204 VanDerWaalsContact C-N 3.34Å; K202-D204 PolarHBondContact O-N 3Å; K202-A205 PolarHBondContact O-N 2.81Å; K202-F206 WeakPolarHBondContact O-CD2 3.01Å; K202-F206 PolarHBondContact O-N 3.02Å
203L98.3Very high97Very high2 Ų246 Ų461%0.0125%0.254CS..Hα-helixtrans-60.5-42.7179.8-64.3-178.9000111.9L183 M186 V192 L199 L200 F206 R207 L211 A229 I231L183-L203 HydrophobicContact CD2-CD2 4.01Å; M186-L203 HydrophobicContact CE-CD2 3.78Å; M186-L203 HydrophobicContact CE-CG 4.43Å; M186-L203 HydrophobicContact CG-CD2 4.33Å; V192-L203 HydrophobicContact CG1-CD1 3.96Å; V192-L203 HydrophobicContact CG2-CD1 4.09Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 3.05Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L203 PolarHBondContact O-N 3.38Å; L203-F206 PolarHBondContact O-N 2.7Å; L203-R207 WeakPolarHBondContact O-CA 3.01Å; L203-R207 WeakPolarHBondContact O-CB 3.17Å; L203-R207 PolarHBondContact O-N 3.24Å; L203-L211 HydrophobicContact CD2-CD1 4.26Å; L203-L211 HydrophobicContact CD2-CD2 4.45Å; L203-A229 HydrophobicContact CD1-CB 3.9Å; L203-I231 HydrophobicContact CD1-CD1 4.47Å; L203-I231 HydrophobicContact CD2-CD1 3.61Å
204D97.8Very high97Very high102 Ų10243.9 Ų43.955%0.54524%0.243SC..Hα-helixtrans-68.4-40.1179-162.348.5000112L200 K202 F206 R207L200-D204 WeakPolarHBondContact O-CB 3.4Å; L200-D204 PolarHBondContact O-N 3.35Å; K202-D204 VanDerWaalsContact C-N 3.34Å; K202-D204 PolarHBondContact O-N 3Å; D204-F206 PolarHBondContact O-N 3.3Å; D204-R207 WeakPolarHBondContact O-CB 3.46Å; D204-R207 PolarHBondContact O-N 3.04Å; D204-R207 IonicContact OD1-NE 2.76Å; D204-R207 PolarHBondContact OD1-NE 2.77Å
205A97.6Very high96.9Very high16 Ų1639.9 Ų39.913%0.13222%0.215CC..Hα-helixtrans-59.3-31.8176.400000113.3L168 L172 R175 D201 K202L168-A205 HydrophobicContact CD1-CB 3.88Å; L172-A205 HydrophobicContact CD2-CB 3.98Å; R175-A205 WeakPolarHBondContact CD-O 3.42Å; R175-A205 PolarHBondContact NH1-O 2.91Å; D201-A205 VanDerWaalsContact O-CB 3.22Å; D201-A205 WeakPolarHBondContact O-CB 3.46Å; D201-A205 PolarHBondContact O-N 3.22Å; K202-A205 PolarHBondContact O-N 2.81Å
206F97.2Very high96.7Very high0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-106.9-2.7-176.5-75.6-101.4000114.6V149 L168 M171 R175 L183 K202 L203 D204 H208 L209 L211V149-F206 HydrophobicContact CB-CE1 3.84Å; V149-F206 HydrophobicContact CB-CZ 4.06Å; V149-F206 HydrophobicContact CG1-CE1 4.26Å; V149-F206 HydrophobicContact CG1-CZ 3.96Å; V149-F206 HydrophobicContact CG2-CE1 3.78Å; V149-F206 HydrophobicContact CG2-CZ 4.17Å; L168-F206 HydrophobicContact CD1-CE2 4.3Å; M171-F206 HydrophobicContact CB-CE2 4.04Å; M171-F206 HydrophobicContact CB-CZ 3.94Å; R175-F206 HydrophobicContact CB-CE1 3.83Å; R175-F206 HydrophobicContact CB-CZ 3.92Å; R175-F206 HydrophobicContact CG-CD1 3.94Å; R175-F206 HydrophobicContact CG-CE1 3.71Å; R175-F206 HydrophobicContact CG-CZ 4.1Å; L183-F206 HydrophobicContact CB-CB 3.83Å; L183-F206 HydrophobicContact CB-CD1 3.95Å; L183-F206 HydrophobicContact CB-CG 3.89Å; L183-F206 HydrophobicContact CD1-CD1 4.22Å; L183-F206 HydrophobicContact CD1-CD2 3.93Å; L183-F206 HydrophobicContact CD1-CE1 4.34Å; L183-F206 HydrophobicContact CD1-CE2 4.06Å; L183-F206 HydrophobicContact CD1-CG 4.03Å; L183-F206 HydrophobicContact CD1-CZ 4.28Å; L183-F206 HydrophobicContact CD2-CB 4.45Å; L183-F206 HydrophobicContact CG-CG 4.4Å; K202-F206 WeakPolarHBondContact O-CD2 3.01Å; K202-F206 PolarHBondContact O-N 3.02Å; L203-F206 PolarHBondContact O-N 2.7Å; D204-F206 PolarHBondContact O-N 3.3Å; F206-H208 PolarHBondContact O-N 3.38Å; F206-L209 HydrophobicContact CD1-CD1 4.06Å; F206-L209 WeakPolarHBondContact O-CA 3.48Å; F206-L209 WeakPolarHBondContact O-CB 3.19Å; F206-L209 PolarHBondContact O-N 3.14Å; F206-L211 HydrophobicContact CB-CD2 3.71Å
207R95.8Very high96.4Very high140 Ų14036.2 Ų36.253%0.52820%0.201SC..THydrogen-bonded Turntrans-46.7-25.2-175.9174.2-178.1-69.1-75.4-4.4116.9L203 D204 L209L203-R207 WeakPolarHBondContact O-CA 3.01Å; L203-R207 WeakPolarHBondContact O-CB 3.17Å; L203-R207 PolarHBondContact O-N 3.24Å; D204-R207 WeakPolarHBondContact O-CB 3.46Å; D204-R207 PolarHBondContact O-N 3.04Å; D204-R207 IonicContact OD1-NE 2.76Å; D204-R207 PolarHBondContact OD1-NE 2.77Å; R207-L209 VanDerWaalsContact C-N 3.34Å
208H93Very high96.2Very high61 Ų6131 Ų3128%0.28217%0.173SC..THydrogen-bonded Turntrans-91.11.5179.966.2-84.9000113.6N2 F206N2-H208 VanDerWaalsContact CG-O 3.27Å; N2-H208 PolarHBondContact ND2-O 2.79Å; F206-H208 PolarHBondContact O-N 3.38Å
209L95.3Very high96.1Very high1 Ų129.4 Ų29.41%0.00516%0.163CC..SBendtrans-113.6-171.9170.8-55.1179.4000108.9I5 R175 V180 F206 R207I5-L209 HydrophobicContact CD1-CD2 4.41Å; I5-L209 HydrophobicContact CG1-CD2 3.92Å; R175-L209 HydrophobicContact CG-CD1 3.77Å; R175-L209 WeakPolarHBondContact O-CD1 3.42Å; V180-L209 HydrophobicContact CG1-CD1 4.45Å; F206-L209 HydrophobicContact CD1-CD1 4.06Å; F206-L209 WeakPolarHBondContact O-CA 3.48Å; F206-L209 WeakPolarHBondContact O-CB 3.19Å; F206-L209 PolarHBondContact O-N 3.14Å; R207-L209 VanDerWaalsContact C-N 3.34Å
210T96.3Very high96.1Very high3 Ų331.6 Ų31.62%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-77139.6175.8-400000110.2T181 G182 L183 D212 E232 F327T181-T210 PolarHBondContact O-N 3.01Å; T181-T210 PolarHBondContact O-OG1 3.09Å; G182-T210 CarbonylContact C-O 3.58Å; G182-T210 WeakPolarHBondContact CA-O 3.29Å; L183-T210 PolarHBondContact N-O 3.36Å; T210-D212 WeakPolarHBondContact CG2-OD1 3.16Å; T210-E232 WeakPolarHBondContact CA-OE1 3.35Å; T210-F327 HydrophobicContact CG2-CD1 3.72Å; T210-F327 HydrophobicContact CG2-CE1 3.75Å
211L98.1Very high96.1Very high4 Ų437.8 Ų37.82%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-113.7104.3172.9-59.1179.8000110.3L183 L203 F206 I231 E232L183-L211 HydrophobicContact CB-CD2 3.78Å; L183-L211 HydrophobicContact CD2-CD2 4.2Å; L203-L211 HydrophobicContact CD2-CD1 4.26Å; L203-L211 HydrophobicContact CD2-CD2 4.45Å; F206-L211 HydrophobicContact CB-CD2 3.71Å; L211-I231 HydrophobicContact CB-CD1 4.2Å; L211-E232 PolarHBondContact N-OE1 3.17Å; L211-E232 PolarHBondContact O-N 3.26Å
212D97.9Very high96.1Very high1 Ų138.9 Ų38.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-81.1149.2-178.1-67.5-3.7000111.6Q148 L183 M186 T210 N233 F327Q148-D212 VanDerWaalsContact CD-OD2 3.3Å; Q148-D212 WeakPolarHBondContact CG-OD2 3.32Å; Q148-D212 PolarHBondContact NE2-OD2 3.29Å; Q148-D212 VanDerWaalsContact NE2-OD2 3.16Å; L183-D212 PolarHBondContact O-N 3.46Å; M186-D212 PolarHBondContact N-O 3.32Å; T210-D212 WeakPolarHBondContact CG2-OD1 3.16Å; D212-N233 WeakPolarHBondContact CA-OD1 3.4Å; D212-N233 PolarHBondContact OD1-ND2 2.78Å; D212-F327 WeakPolarHBondContact OD1-CE1 3.47Å
213G97.5Very high96Very high0 Ų037.5 Ų37.50%021%0.208CC..EExtended strand (participates in β ladder)trans-125.5151.6-171.300000114.4Y226 N233G213-Y226 WeakPolarHBondContact CA-OH 3.26Å; G213-N233 WeakPolarHBondContact CA-O 3.27Å; G213-N233 PolarHBondContact N-O 3.35Å; G213-N233 VanDerWaalsContact N-O 3.17Å; G213-N233 PolarHBondContact N-OD1 2.98Å
214H96.5Very high96Very high4 Ų440.6 Ų40.62%0.01923%0.225CC..  trans-139.2106.8175.7177.1109.6000108E185 M187 Y189 Y226 H235 E236E185-H214 HydrophobicContact CB-CB 4.04Å; E185-H214 HydrophobicContact CG-CB 4.35Å; E185-H214 WeakPolarHBondContact OE2-CB 3.48Å; E185-H214 IonicContact OE2-CE1 3.55Å; E185-H214 IonicContact OE2-CG 3.8Å; E185-H214 IonicContact OE2-ND1 3.99Å; E185-H214 PolarHBondContact OE2-ND1 3.09Å; M187-H214 HydrophobicContact CB-CB 3.87Å; Y189-H214 WeakPolarHBondContact CD1-O 3.34Å; H214-Y226 PolarHBondContact N-OH 2.81Å; H214-Y226 PolarHBondContact O-OH 3.01Å; H214-H235 AromaticContact ND1-NE2 3.65Å; H214-E236 IonicContact CE1-OE1 3.16Å; H214-E236 PolarHBondContact CE1-OE1 3.05Å; H214-E236 WeakPolarHBondContact ND1-CG 3.35Å; H214-E236 IonicContact ND1-OE1 2.68Å
215C95.1Very high96.1Very high0 Ų037.5 Ų37.50%021%0.214CC..  trans-149.171.3-174.259.20000112G217 L218 Y226 C234 K246C215-G217 PolarHBondContact O-N 3.31Å; C215-L218 HydrophobicContact CB-CB 3.78Å; C215-L218 HydrophobicContact CB-CD2 3.73Å; C215-L218 HydrophobicContact CB-CG 4.4Å; C215-L218 PolarHBondContact O-N 3.04Å; C215-Y226 HydrophobicContact CB-CD1 4.02Å; C215-Y226 HydrophobicContact CB-CE1 3.8Å; C215-C234 PolarHBondContact SG-SG 3.44Å; C215-K246 PolarHBondContact O-NZ 2.89Å; C215-K246 VanDerWaalsContact SG-CE 3.59Å
216P92.2Very high96.1Very high6 Ų636.8 Ų36.84%0.03921%0.207CC..THydrogen-bonded Turntrans-64.2122.7-178.325.8-32.9000111Y189 L218 E236Y189-P216 HydrophobicContact CE1-CG 4.46Å; P216-L218 PolarHBondContact O-N 3.09Å; P216-L218 VanDerWaalsContact O-N 3.09Å; P216-E236 HydrophobicContact CB-CB 3.98Å; P216-E236 HydrophobicContact CB-CG 4.36Å
217G90.6Very high96.1Very high42 Ų4238.5 Ų38.543%0.43322%0.216SC..THydrogen-bonded Turntrans70.23.7175.100000115.2C215 G219 E242C215-G217 PolarHBondContact O-N 3.31Å; G217-G219 PolarHBondContact O-N 3.19Å; G217-E242 PolarHBondContact N-OE1 3.05Å
218L93.6Very high96.2Very high10 Ų1037.3 Ų37.35%0.05223%0.225CC..  trans-67.1126.3-175.8-165.570.1000111.1Y189 I193 C215 P216 E222 L223 Y226Y189-L218 HydrophobicContact CD2-CD1 3.88Å; Y189-L218 HydrophobicContact CD2-CD2 4.31Å; Y189-L218 HydrophobicContact CE2-CD1 3.87Å; I193-L218 HydrophobicContact CD1-CD1 4.02Å; I193-L218 HydrophobicContact CD1-CD2 4.01Å; C215-L218 HydrophobicContact CB-CB 3.78Å; C215-L218 HydrophobicContact CB-CD2 3.73Å; C215-L218 HydrophobicContact CB-CG 4.4Å; C215-L218 PolarHBondContact O-N 3.04Å; P216-L218 PolarHBondContact O-N 3.09Å; P216-L218 VanDerWaalsContact O-N 3.09Å; L218-E222 HydrophobicContact CD1-CB 3.69Å; L218-E222 HydrophobicContact CG-CB 4.19Å; L218-L223 HydrophobicContact CD2-CB 4.43Å; L218-L223 HydrophobicContact CD2-CD1 4.37Å; L218-L223 HydrophobicContact CG-CB 4.25Å; L218-Y226 HydrophobicContact CD2-CD1 4.29Å; L218-Y226 HydrophobicContact CD2-CG 4.11Å
219G94.8Very high96.5Very high34 Ų3435.2 Ų35.235%0.35122%0.218SC..  trans-134.4-178.7-173.800000114.4G217 K221 E222 L223G217-G219 PolarHBondContact O-N 3.19Å; G219-K221 PolarHBondContact O-N 3.22Å; G219-E222 PolarHBondContact O-N 3.02Å; G219-L223 PolarHBondContact O-N 2.99Å; G219-L223 VanDerWaalsContact O-N 3.14Å
220G96.3Very high96.6Very high54 Ų5436.3 Ų36.356%0.55723%0.229SC*.Hα-helixtrans56.2-134.3169.200000114.7E222 N224G220-E222 VanDerWaalsContact C-N 3.33Å; G220-N224 PolarHBondContact O-N 2.99Å; G220-N224 PolarHBondContact O-ND2 3.48Å
221K97.7Very high96.6Very high191 Ų19136.3 Ų36.383%0.8323%0.229SC*.Hα-helixtrans-70.7-30.3-178.3-67.3-179.2-178.1176.20112.5G219 N224 A225G219-K221 PolarHBondContact O-N 3.22Å; K221-N224 WeakPolarHBondContact O-CB 3.44Å; K221-N224 PolarHBondContact O-N 2.95Å; K221-A225 PolarHBondContact O-N 2.95Å
222E97.3Very high96.6Very high114 Ų11439.8 Ų39.853%0.53325%0.245SC..Hα-helixtrans-68.5-44.5-178.3-68.9176.3160.300111I193 L218 G219 G220 N224 A225 Y226I193-E222 HydrophobicContact CD1-CB 3.97Å; L218-E222 HydrophobicContact CD1-CB 3.69Å; L218-E222 HydrophobicContact CG-CB 4.19Å; G219-E222 PolarHBondContact O-N 3.02Å; G220-E222 VanDerWaalsContact C-N 3.33Å; E222-N224 VanDerWaalsContact C-N 3.26Å; E222-N224 PolarHBondContact O-N 3.44Å; E222-A225 WeakPolarHBondContact O-CB 3.18Å; E222-A225 PolarHBondContact O-N 3.05Å; E222-A225 VanDerWaalsContact O-N 3.08Å; E222-Y226 PolarHBondContact O-N 3.15Å
223L97.9Very high96.6Very high2 Ų239.7 Ų39.71%0.0125%0.245CC..Hα-helixtrans-59.4-38.3171.8-179.359.9000112L218 G219 Y226 I227 R245 K246 L249 M251L218-L223 HydrophobicContact CD2-CB 4.43Å; L218-L223 HydrophobicContact CD2-CD1 4.37Å; L218-L223 HydrophobicContact CG-CB 4.25Å; G219-L223 PolarHBondContact O-N 2.99Å; G219-L223 VanDerWaalsContact O-N 3.14Å; L223-Y226 PolarHBondContact O-N 2.89Å; L223-I227 HydrophobicContact CD1-CD1 3.92Å; L223-I227 HydrophobicContact CD1-CG1 4.21Å; L223-I227 HydrophobicContact CG-CD1 3.94Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 2.86Å; L223-R245 HydrophobicContact CD2-CG 4.29Å; L223-K246 HydrophobicContact CD1-CG 4.29Å; L223-K246 HydrophobicContact CD2-CG 4.05Å; L223-L249 HydrophobicContact CD2-CD1 3.64Å; L223-L249 HydrophobicContact CG-CD1 3.89Å; L223-M251 HydrophobicContact CD1-SD 4.5Å
224N98.3Very high96.6Very high67 Ų6739.7 Ų39.736%0.35825%0.245SC..Hα-helixtrans-64.2-41.9174.9-79.6-101.3000111.5G220 K221 E222 T228G220-N224 PolarHBondContact O-N 2.99Å; G220-N224 PolarHBondContact O-ND2 3.48Å; K221-N224 WeakPolarHBondContact O-CB 3.44Å; K221-N224 PolarHBondContact O-N 2.95Å; E222-N224 VanDerWaalsContact C-N 3.26Å; E222-N224 PolarHBondContact O-N 3.44Å; N224-T228 VanDerWaalsContact O-CB 3.23Å; N224-T228 WeakPolarHBondContact O-CB 3.07Å; N224-T228 PolarHBondContact O-N 3.25Å; N224-T228 PolarHBondContact O-OG1 2.95Å
225A98.4Very high96.6Very high38 Ų3839.5 Ų39.531%0.31424%0.244SC..Hα-helixtrans-64-43.817800000111.7I193 K221 E222 T228 A229I193-A225 HydrophobicContact CG1-CB 4.27Å; I193-A225 HydrophobicContact CG2-CB 4.1Å; K221-A225 PolarHBondContact O-N 2.95Å; E222-A225 WeakPolarHBondContact O-CB 3.18Å; E222-A225 PolarHBondContact O-N 3.05Å; E222-A225 VanDerWaalsContact O-N 3.08Å; A225-T228 WeakPolarHBondContact O-CB 3.47Å; A225-T228 PolarHBondContact O-N 3.12Å; A225-A229 PolarHBondContact O-N 3.12Å
226Y98.3Very high96.6Very high0 Ų039.9 Ų39.90%025%0.246CC..Hα-helixtrans-63.1-46178.4-169.6-114000112.3M186 Y189 V192 G213 H214 C215 L218 E222 L223 T228 A229 I231 M251M186-Y226 HydrophobicContact CG-CE2 4.47Å; M186-Y226 PolarHBondContact O-OH 3.01Å; Y189-Y226 VanDerWaalsContact CB-CE2 3.47Å; V192-Y226 HydrophobicContact CB-CD2 4.03Å; V192-Y226 HydrophobicContact CB-CE2 4.17Å; V192-Y226 HydrophobicContact CG1-CD2 3.84Å; V192-Y226 HydrophobicContact CG1-CE2 4.24Å; V192-Y226 HydrophobicContact CG2-CE2 4.3Å; G213-Y226 WeakPolarHBondContact CA-OH 3.26Å; H214-Y226 PolarHBondContact N-OH 2.81Å; H214-Y226 PolarHBondContact O-OH 3.01Å; C215-Y226 HydrophobicContact CB-CD1 4.02Å; C215-Y226 HydrophobicContact CB-CE1 3.8Å; L218-Y226 HydrophobicContact CD2-CD1 4.29Å; L218-Y226 HydrophobicContact CD2-CG 4.11Å; E222-Y226 PolarHBondContact O-N 3.15Å; L223-Y226 PolarHBondContact O-N 2.89Å; Y226-T228 VanDerWaalsContact C-N 3.32Å; Y226-T228 PolarHBondContact O-N 3.27Å; Y226-A229 WeakPolarHBondContact O-CB 3.26Å; Y226-A229 PolarHBondContact O-N 3.45Å; Y226-I231 HydrophobicContact CD1-CB 4.16Å; Y226-I231 HydrophobicContact CD1-CG1 4.28Å; Y226-I231 HydrophobicContact CD1-CG2 4.2Å; Y226-I231 HydrophobicContact CD2-CG1 4.21Å; Y226-I231 HydrophobicContact CE1-CB 3.87Å; Y226-I231 HydrophobicContact CE1-CG1 3.93Å; Y226-I231 HydrophobicContact CE1-CG2 3.5Å; Y226-I231 HydrophobicContact CE2-CG1 3.86Å; Y226-I231 HydrophobicContact CG-CG1 4.42Å; Y226-M251 HydrophobicContact CD1-CE 4.2Å; Y226-M251 HydrophobicContact CE1-CE 4.1Å
227I98.1Very high96.7Very high36 Ų3639.6 Ų39.619%0.18524%0.244CC..Hα-helixtrans-63.8-38.5173-65.6169.3000111L223 A229 G230 L249 M251L223-I227 HydrophobicContact CD1-CD1 3.92Å; L223-I227 HydrophobicContact CD1-CG1 4.21Å; L223-I227 HydrophobicContact CG-CD1 3.94Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 2.86Å; I227-A229 PolarHBondContact O-N 2.87Å; I227-G230 PolarHBondContact O-N 3.28Å; I227-L249 HydrophobicContact CD1-CB 3.6Å; I227-L249 HydrophobicContact CD1-CD1 4.09Å; I227-M251 HydrophobicContact CD1-CB 4Å; I227-M251 HydrophobicContact CG1-CB 4.36Å; I227-M251 HydrophobicContact CG1-SD 4.41Å
228T97.7Very high96.7Very high116 Ų11640.7 Ų40.771%0.71224%0.236SC*.Hα-helixtrans-62.1-29.6177.9-620000112.2N224 A225 Y226 G230N224-T228 VanDerWaalsContact O-CB 3.23Å; N224-T228 WeakPolarHBondContact O-CB 3.07Å; N224-T228 PolarHBondContact O-N 3.25Å; N224-T228 PolarHBondContact O-OG1 2.95Å; A225-T228 WeakPolarHBondContact O-CB 3.47Å; A225-T228 PolarHBondContact O-N 3.12Å; Y226-T228 VanDerWaalsContact C-N 3.32Å; Y226-T228 PolarHBondContact O-N 3.27Å; T228-G230 PolarHBondContact O-N 3.01Å
229A97.8Very high96.7Very high16 Ų1645.4 Ų45.413%0.13226%0.257CS..THydrogen-bonded Turntrans-65.6-17.5174.800000112.9V192 L203 A225 Y226 I227V192-A229 HydrophobicContact CG1-CB 3.39Å; L203-A229 HydrophobicContact CD1-CB 3.9Å; A225-A229 PolarHBondContact O-N 3.12Å; Y226-A229 WeakPolarHBondContact O-CB 3.26Å; Y226-A229 PolarHBondContact O-N 3.45Å; I227-A229 PolarHBondContact O-N 2.87Å
230G97.4Very high96.7Very high24 Ų2446.6 Ų46.625%0.24726%0.255CS..THydrogen-bonded Turntrans112.23.1176.200000114.3I227 T228 E232I227-G230 PolarHBondContact O-N 3.28Å; T228-G230 PolarHBondContact O-N 3.01Å; G230-E232 VanDerWaalsContact O-CG 3.32Å; G230-E232 WeakPolarHBondContact O-CG 3.35Å
231I98.1Very high96.8Very high4 Ų449.7 Ų49.72%0.02126%0.255CS..  trans-66.2131.8177.2-54.5-63.2000110.2M186 L203 L211 Y226 M251M186-I231 HydrophobicContact CB-CD1 3.77Å; M186-I231 HydrophobicContact CG-CD1 4.2Å; L203-I231 HydrophobicContact CD1-CD1 4.47Å; L203-I231 HydrophobicContact CD2-CD1 3.61Å; L211-I231 HydrophobicContact CB-CD1 4.2Å; Y226-I231 HydrophobicContact CD1-CB 4.16Å; Y226-I231 HydrophobicContact CD1-CG1 4.28Å; Y226-I231 HydrophobicContact CD1-CG2 4.2Å; Y226-I231 HydrophobicContact CD2-CG1 4.21Å; Y226-I231 HydrophobicContact CE1-CB 3.87Å; Y226-I231 HydrophobicContact CE1-CG1 3.93Å; Y226-I231 HydrophobicContact CE1-CG2 3.5Å; Y226-I231 HydrophobicContact CE2-CG1 3.86Å; Y226-I231 HydrophobicContact CG-CG1 4.42Å; I231-M251 HydrophobicContact CG2-CE 3.82Å
232E97.4Very high96.7Very high76 Ų7641.7 Ų41.736%0.35522%0.221SC..  trans-106.2-23.7-163.1-60.2-177.7-101.200114T210 L211 G230 M251 S252T210-E232 WeakPolarHBondContact CA-OE1 3.35Å; L211-E232 PolarHBondContact N-OE1 3.17Å; L211-E232 PolarHBondContact O-N 3.26Å; G230-E232 VanDerWaalsContact O-CG 3.32Å; G230-E232 WeakPolarHBondContact O-CG 3.35Å; E232-M251 WeakPolarHBondContact O-CG 3.48Å; E232-S252 PolarHBondContact O-N 2.92Å
233N98Very high96.7Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-148166.9-170.961.572.5000112.6D212 G213 M251 S252 M254 M280 H326D212-N233 WeakPolarHBondContact CA-OD1 3.4Å; D212-N233 PolarHBondContact OD1-ND2 2.78Å; G213-N233 WeakPolarHBondContact CA-O 3.27Å; G213-N233 PolarHBondContact N-O 3.35Å; G213-N233 VanDerWaalsContact N-O 3.17Å; G213-N233 PolarHBondContact N-OD1 2.98Å; N233-M251 WeakPolarHBondContact O-CE 3.36Å; N233-S252 WeakPolarHBondContact CA-O 3.19Å; N233-M254 HydrophobicContact CB-CE 3.78Å; N233-M254 HydrophobicContact CB-SD 4.31Å; N233-M254 WeakPolarHBondContact OD1-CE 3.24Å; N233-M280 HydrophobicContact CB-CE 4.39Å; N233-H326 PolarHBondContact ND2-NE2 3.11Å
234C97.2Very high96.6Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-156.6135.5175.8-178.20000110.9C215 E236 K246 M251 S252 M254C215-C234 PolarHBondContact SG-SG 3.44Å; C234-E236 PolarHBondContact SG-N 3.42Å; C234-K246 HydrophobicContact CB-CD 4.29Å; C234-K246 PolarHBondContact SG-NZ 3.03Å; C234-M251 HydrophobicContact CB-CE 3.75Å; C234-M251 HydrophobicContact CB-SD 3.68Å; C234-S252 PolarHBondContact N-O 2.66Å; C234-M254 PolarHBondContact O-N 3.25Å; C234-M254 VanDerWaalsContact O-N 3.08Å
235H96.5Very high96.6Very high0 Ų042.9 Ų42.90%022%0.215CC..SBendtrans-96.8-17.9170.756.2-95.9000113.1H90 E185 H214 S237 M254 D284H90-H235 AromaticContact CD2-CE1 3.83Å; H90-H235 AromaticContact CD2-CG 3.96Å; H90-H235 AromaticContact CD2-ND1 3.56Å; H90-H235 AromaticContact CE1-CE1 3.41Å; H90-H235 PolarHBondContact CE1-CE1 2.91Å; H90-H235 VanDerWaalsContact CE1-CE1 3.41Å; H90-H235 AromaticContact CE1-ND1 3.61Å; H90-H235 AromaticContact CG-ND1 3.6Å; H90-H235 AromaticContact ND1-CE1 3.89Å; H90-H235 AromaticContact ND1-ND1 3.62Å; H90-H235 AromaticContact NE2-CE1 3.35Å; H90-H235 PolarHBondContact NE2-CE1 2.98Å; H90-H235 AromaticContact NE2-ND1 3.56Å; H90-H235 AromaticContact NE2-NE2 3.95Å; E185-H235 IonicContact OE1-CE1 3.87Å; E185-H235 IonicContact OE2-CE1 2.96Å; E185-H235 PolarHBondContact OE2-CE1 3.22Å; E185-H235 IonicContact OE2-NE2 2.94Å; E185-H235 PolarHBondContact OE2-NE2 2.83Å; H214-H235 AromaticContact ND1-NE2 3.65Å; H235-S237 PolarHBondContact O-N 3.12Å; H235-M254 WeakPolarHBondContact CA-O 3.41Å; H235-M254 HydrophobicContact CB-CB 3.79Å; H235-M254 HydrophobicContact CB-SD 4.35Å; H235-D284 IonicContact CD2-OD2 3.39Å
236E94.5Very high96.6Very high7 Ų741.1 Ų41.13%0.03320%0.2CC..  trans-7319.4-178.3-70.9-62163.400117H214 P216 C234 R256H214-E236 IonicContact CE1-OE1 3.16Å; H214-E236 PolarHBondContact CE1-OE1 3.05Å; H214-E236 WeakPolarHBondContact ND1-CG 3.35Å; H214-E236 IonicContact ND1-OE1 2.68Å; P216-E236 HydrophobicContact CB-CB 3.98Å; P216-E236 HydrophobicContact CB-CG 4.36Å; C234-E236 PolarHBondContact SG-N 3.42Å; E236-R256 VanDerWaalsContact CD-NH1 3.3Å; E236-R256 IonicContact OE1-CZ 2.9Å; E236-R256 IonicContact OE1-NH1 3.74Å; E236-R256 PolarHBondContact OE1-NH1 3.47Å; E236-R256 IonicContact OE1-NH2 2.88Å; E236-R256 IonicContact OE2-CZ 2.76Å; E236-R256 IonicContact OE2-NH1 3.79Å; E236-R256 PolarHBondContact OE2-NH1 2.99Å; E236-R256 IonicContact OE2-NH2 2.74Å; E236-R256 PolarHBondContact OE2-NH2 3.24Å
237S94.1Very high96.6Very high0 Ų042.5 Ų42.50%021%0.208CC..  trans-82126.8174.4-52.50000110H235 E242 K246 L253 L267H235-S237 PolarHBondContact O-N 3.12Å; S237-E242 WeakPolarHBondContact CA-OE2 3.45Å; S237-K246 WeakPolarHBondContact OG-CD 3.48Å; S237-K246 PolarHBondContact OG-NZ 2.94Å; S237-L253 WeakPolarHBondContact OG-CD1 3.49Å; S237-L267 WeakPolarHBondContact O-CD1 3.4Å
238Y91.1Very high96.5Very high66 Ų6646.6 Ų46.626%0.25923%0.226SC..  trans-120-11.6179.662.5-82.3000113.4E242 N263 I419Y238-E242 WeakPolarHBondContact CD1-OE2 3.45Å; Y238-E242 PolarHBondContact N-OE2 3.49Å; Y238-N263 WeakPolarHBondContact CB-ND2 3.25Å; Y238-I419 HydrophobicContact CE2-CD1 4.31Å
239Q93.2Very high96.5Very high108 Ų10843.2 Ų43.251%0.50520%0.203SC..SBendtrans-116.8147.3175.2-60.4-173.9-8.500112.6E241 E242 G243 L267Q239-E241 VanDerWaalsContact C-N 3.29Å; Q239-E241 PolarHBondContact O-N 3.37Å; Q239-E242 HydrophobicContact CB-CB 4.23Å; Q239-E242 WeakPolarHBondContact O-CB 3.36Å; Q239-E242 PolarHBondContact O-N 3.2Å; Q239-G243 PolarHBondContact O-N 3.14Å; Q239-L267 WeakPolarHBondContact O-CD2 3.38Å
240L96.1Very high96.5Very high59 Ų5944.5 Ų44.531%0.30922%0.219SC..Hα-helixtrans-54.2-44.1177.8-172.578.5000112.4R244 A266 P269 L270L240-R244 VanDerWaalsContact O-CB 3.3Å; L240-R244 WeakPolarHBondContact O-CB 2.93Å; L240-R244 PolarHBondContact O-N 3.36Å; L240-A266 WeakPolarHBondContact CD1-O 3.41Å; L240-P269 HydrophobicContact CD1-CB 4.01Å; L240-P269 HydrophobicContact CD1-CG 4.44Å; L240-L270 HydrophobicContact CD1-CD1 4.35Å; L240-L270 HydrophobicContact CD1-CD2 3.62Å; L240-L270 HydrophobicContact CD1-CG 3.61Å; L240-L270 HydrophobicContact CG-CD2 4.01Å; L240-L270 HydrophobicContact CG-CG 4.43Å
241E96.9Very high96.5Very high120 Ų12043.4 Ų43.456%0.56121%0.207SC*.Hα-helixtrans-71.6-33.5-178.3-69.7-55128.100112.7Q239 R244 R245Q239-E241 VanDerWaalsContact C-N 3.29Å; Q239-E241 PolarHBondContact O-N 3.37Å; E241-R244 IonicContact OE1-NE 2.88Å; E241-R245 VanDerWaalsContact O-CB 3.27Å; E241-R245 WeakPolarHBondContact O-CB 3.48Å; E241-R245 PolarHBondContact O-N 3.27Å
242E95.8Very high96.5Very high22 Ų2243.7 Ų43.710%0.10321%0.209CC..Hα-helixtrans-63.7-52173.7-174.2-168.1177.900110.6G217 S237 Y238 Q239 R244 R245 K246G217-E242 PolarHBondContact N-OE1 3.05Å; S237-E242 WeakPolarHBondContact CA-OE2 3.45Å; Y238-E242 WeakPolarHBondContact CD1-OE2 3.45Å; Y238-E242 PolarHBondContact N-OE2 3.49Å; Q239-E242 HydrophobicContact CB-CB 4.23Å; Q239-E242 WeakPolarHBondContact O-CB 3.36Å; Q239-E242 PolarHBondContact O-N 3.2Å; E242-R244 VanDerWaalsContact C-N 3.33Å; E242-R244 PolarHBondContact O-N 3.19Å; E242-R245 PolarHBondContact O-N 2.96Å; E242-R245 VanDerWaalsContact O-N 3.07Å; E242-K246 HydrophobicContact CG-CD 4.27Å; E242-K246 PolarHBondContact O-N 3.19Å; E242-K246 IonicContact OE1-NZ 3.94Å; E242-K246 PolarHBondContact OE1-NZ 3.23Å
243G97.3Very high96.5Very high0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-60.4-42176.900000112.2Q239 R245 K246 L247Q239-G243 PolarHBondContact O-N 3.14Å; G243-R245 VanDerWaalsContact C-N 3.3Å; G243-R245 PolarHBondContact O-N 3.27Å; G243-K246 PolarHBondContact O-N 3.06Å; G243-L247 WeakPolarHBondContact O-CG 3.41Å; G243-L247 PolarHBondContact O-N 3.01Å; G243-L247 VanDerWaalsContact O-N 3.09Å
244R97.7Very high96.5Very high104 Ų10440.1 Ų40.139%0.39219%0.192SC..Hα-helixtrans-58.3-43.3173.4-177.2-176.8-66-79.8-4.6111.1L240 E241 E242 Q248 L270L240-R244 VanDerWaalsContact O-CB 3.3Å; L240-R244 WeakPolarHBondContact O-CB 2.93Å; L240-R244 PolarHBondContact O-N 3.36Å; E241-R244 IonicContact OE1-NE 2.88Å; E242-R244 VanDerWaalsContact C-N 3.33Å; E242-R244 PolarHBondContact O-N 3.19Å; R244-Q248 VanDerWaalsContact O-CG 3.28Å; R244-Q248 WeakPolarHBondContact O-CG 3.21Å; R244-Q248 PolarHBondContact O-N 3.21Å; R244-L270 HydrophobicContact CB-CD2 3.86Å
245R97.8Very high96.6Very high104 Ų10440.1 Ų40.139%0.39219%0.192SC..Hα-helixtrans-70.4-40.9-177.1-175.356.4179.51553.6112.3L223 E241 E242 G243 Q248 L249L223-R245 HydrophobicContact CD2-CG 4.29Å; E241-R245 VanDerWaalsContact O-CB 3.27Å; E241-R245 WeakPolarHBondContact O-CB 3.48Å; E241-R245 PolarHBondContact O-N 3.27Å; E242-R245 PolarHBondContact O-N 2.96Å; E242-R245 VanDerWaalsContact O-N 3.07Å; G243-R245 VanDerWaalsContact C-N 3.3Å; G243-R245 PolarHBondContact O-N 3.27Å; R245-Q248 WeakPolarHBondContact O-CB 3.45Å; R245-Q248 PolarHBondContact O-N 3.11Å; R245-L249 HydrophobicContact CG-CD1 4.38Å; R245-L249 WeakPolarHBondContact O-CG 3.36Å; R245-L249 PolarHBondContact O-N 2.84Å; R245-L249 VanDerWaalsContact O-N 3.11Å
246K97.9Very high96.6Very high1 Ų140.3 Ų40.30%0.00419%0.193CC..Hα-helixtrans-58.3-48.5173.8-76.8168.4170.31720110.8C215 L223 C234 S237 E242 G243 Q248 L249 G250 M251C215-K246 PolarHBondContact O-NZ 2.89Å; C215-K246 VanDerWaalsContact SG-CE 3.59Å; L223-K246 HydrophobicContact CD1-CG 4.29Å; L223-K246 HydrophobicContact CD2-CG 4.05Å; C234-K246 HydrophobicContact CB-CD 4.29Å; C234-K246 PolarHBondContact SG-NZ 3.03Å; S237-K246 WeakPolarHBondContact OG-CD 3.48Å; S237-K246 PolarHBondContact OG-NZ 2.94Å; E242-K246 HydrophobicContact CG-CD 4.27Å; E242-K246 PolarHBondContact O-N 3.19Å; E242-K246 IonicContact OE1-NZ 3.94Å; E242-K246 PolarHBondContact OE1-NZ 3.23Å; G243-K246 PolarHBondContact O-N 3.06Å; K246-Q248 PolarHBondContact O-N 3.45Å; K246-L249 PolarHBondContact O-N 3.24Å; K246-L249 VanDerWaalsContact O-N 3.11Å; K246-G250 PolarHBondContact O-N 3.48Å; K246-M251 CarbonylContact C-O 3.55Å; K246-M251 HydrophobicContact CB-CB 4.27Å; K246-M251 HydrophobicContact CB-SD 4.22Å; K246-M251 HydrophobicContact CD-SD 4.18Å; K246-M251 HydrophobicContact CG-SD 3.94Å; K246-M251 WeakPolarHBondContact O-CB 3.48Å; K246-M251 PolarHBondContact O-N 3.16Å; K246-M251 VanDerWaalsContact O-N 3.09Å
247L97.7Very high96.5Very high30 Ų3040 Ų4016%0.15719%0.192CC..Hα-helixtrans-59-43173.8-72.2171.9000113.2G243 L249 G250 L253 L270 Q278G243-L247 WeakPolarHBondContact O-CG 3.41Å; G243-L247 PolarHBondContact O-N 3.01Å; G243-L247 VanDerWaalsContact O-N 3.09Å; L247-L249 PolarHBondContact O-N 2.81Å; L247-G250 PolarHBondContact O-N 2.59Å; L247-G250 VanDerWaalsContact O-N 3.08Å; L247-L253 HydrophobicContact CD1-CB 4.4Å; L247-L253 HydrophobicContact CD1-CD2 4.08Å; L247-L253 HydrophobicContact CD2-CB 3.83Å; L247-L253 HydrophobicContact CG-CB 4.02Å; L247-L253 HydrophobicContact CG-CD2 4.47Å; L247-L270 HydrophobicContact CD1-CB 4.48Å; L247-L270 HydrophobicContact CD1-CD1 4.49Å; L247-Q278 HydrophobicContact CD2-CB 3.85Å
248Q97.4Very high96.4Very high122 Ų12240.1 Ų40.157%0.5719%0.193SC*.Hα-helixtrans-61.9-29.1177.5-78.7174.3-1.900113.5R244 R245 K246 G250R244-Q248 VanDerWaalsContact O-CG 3.28Å; R244-Q248 WeakPolarHBondContact O-CG 3.21Å; R244-Q248 PolarHBondContact O-N 3.21Å; R245-Q248 WeakPolarHBondContact O-CB 3.45Å; R245-Q248 PolarHBondContact O-N 3.11Å; K246-Q248 PolarHBondContact O-N 3.45Å; Q248-G250 VanDerWaalsContact C-N 3.3Å
249L97.8Very high96.2Very high44 Ų4437 Ų3723%0.2318%0.18CC..THydrogen-bonded Turntrans-89.32.1178.3-68.4177.5000112.9L223 I227 R245 K246 L247L223-L249 HydrophobicContact CD2-CD1 3.64Å; L223-L249 HydrophobicContact CG-CD1 3.89Å; I227-L249 HydrophobicContact CD1-CB 3.6Å; I227-L249 HydrophobicContact CD1-CD1 4.09Å; R245-L249 HydrophobicContact CG-CD1 4.38Å; R245-L249 WeakPolarHBondContact O-CG 3.36Å; R245-L249 PolarHBondContact O-N 2.84Å; R245-L249 VanDerWaalsContact O-N 3.11Å; K246-L249 PolarHBondContact O-N 3.24Å; K246-L249 VanDerWaalsContact O-N 3.11Å; L247-L249 PolarHBondContact O-N 2.81Å
250G96.4Very high95.6Very high44 Ų4432 Ų3245%0.45416%0.157SC..THydrogen-bonded Turntrans88.46.1176.100000114.8K246 L247 Q248 Q278K246-G250 PolarHBondContact O-N 3.48Å; L247-G250 PolarHBondContact O-N 2.59Å; L247-G250 VanDerWaalsContact O-N 3.08Å; Q248-G250 VanDerWaalsContact C-N 3.3Å; G250-Q278 PolarHBondContact O-NE2 3.16Å
251M97.6Very high95Very high1 Ų129.5 Ų29.51%0.00515%0.145CC..  trans-80.1134.1173.3-170.6-176.9-13600110L223 Y226 I227 I231 E232 N233 C234 K246L223-M251 HydrophobicContact CD1-SD 4.5Å; Y226-M251 HydrophobicContact CD1-CE 4.2Å; Y226-M251 HydrophobicContact CE1-CE 4.1Å; I227-M251 HydrophobicContact CD1-CB 4Å; I227-M251 HydrophobicContact CG1-CB 4.36Å; I227-M251 HydrophobicContact CG1-SD 4.41Å; I231-M251 HydrophobicContact CG2-CE 3.82Å; E232-M251 WeakPolarHBondContact O-CG 3.48Å; N233-M251 WeakPolarHBondContact O-CE 3.36Å; C234-M251 HydrophobicContact CB-CE 3.75Å; C234-M251 HydrophobicContact CB-SD 3.68Å; K246-M251 CarbonylContact C-O 3.55Å; K246-M251 HydrophobicContact CB-CB 4.27Å; K246-M251 HydrophobicContact CB-SD 4.22Å; K246-M251 HydrophobicContact CD-SD 4.18Å; K246-M251 HydrophobicContact CG-SD 3.94Å; K246-M251 WeakPolarHBondContact O-CB 3.48Å; K246-M251 PolarHBondContact O-N 3.16Å; K246-M251 VanDerWaalsContact O-N 3.09Å
252S98.3Very high94.6Very high9 Ų927.7 Ų27.76%0.06313%0.134CC..EExtended strand (participates in β ladder)trans-68.8142174.7-54.50000110.9E232 N233 C234 Q278 H326E232-S252 PolarHBondContact O-N 2.92Å; N233-S252 WeakPolarHBondContact CA-O 3.19Å; C234-S252 PolarHBondContact N-O 2.66Å; S252-Q278 WeakPolarHBondContact CA-O 3.3Å; S252-Q278 PolarHBondContact OG-OE1 3.08Å; S252-H326 PolarHBondContact OG-CE1 2.88Å; S252-H326 PolarHBondContact OG-ND1 3.38Å
253L98.2Very high94.4Very high1 Ų127.4 Ų27.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-100.4115.1179.1-176.566.2000110.2S237 L247 I255 L267 L270 Q278 C279 M280S237-L253 WeakPolarHBondContact OG-CD1 3.49Å; L247-L253 HydrophobicContact CD1-CB 4.4Å; L247-L253 HydrophobicContact CD1-CD2 4.08Å; L247-L253 HydrophobicContact CD2-CB 3.83Å; L247-L253 HydrophobicContact CG-CB 4.02Å; L247-L253 HydrophobicContact CG-CD2 4.47Å; L253-I255 HydrophobicContact CD2-CD1 4.22Å; L253-I255 HydrophobicContact CD2-CG1 3.95Å; L253-I255 HydrophobicContact CG-CG1 3.94Å; L253-L267 HydrophobicContact CD1-CD1 4.22Å; L253-L270 HydrophobicContact CD2-CD1 3.71Å; L253-Q278 PolarHBondContact N-O 3.11Å; L253-C279 CarbonylContact O-C 3.54Å; L253-C279 WeakPolarHBondContact O-CA 3.36Å; L253-M280 PolarHBondContact O-N 3.25Å
254M98.1Very high94.3Very high0 Ų027.4 Ų27.40%013%0.133CC..EExtended strand (participates in β ladder)trans-91.5120166.2-66.3170.2174.800108.1A89 H90 N233 C234 H235 M280 F327A89-M254 HydrophobicContact CB-CE 4.34Å; A89-M254 HydrophobicContact CB-CG 4.33Å; H90-M254 HydrophobicContact CB-SD 3.82Å; N233-M254 HydrophobicContact CB-CE 3.78Å; N233-M254 HydrophobicContact CB-SD 4.31Å; N233-M254 WeakPolarHBondContact OD1-CE 3.24Å; C234-M254 PolarHBondContact O-N 3.25Å; C234-M254 VanDerWaalsContact O-N 3.08Å; H235-M254 WeakPolarHBondContact CA-O 3.41Å; H235-M254 HydrophobicContact CB-CB 3.79Å; H235-M254 HydrophobicContact CB-SD 4.35Å; M254-M280 HydrophobicContact CE-CE 3.89Å; M254-M280 HydrophobicContact CE-SD 4.5Å; M254-M280 HydrophobicContact CG-CB 4.32Å; M254-M280 HydrophobicContact CG-CE 3.72Å; M254-F327 HydrophobicContact CE-CE1 4.47Å; M254-F327 HydrophobicContact CE-CE2 4.11Å; M254-F327 HydrophobicContact CE-CZ 3.5Å
255I98Very high94.2Very high0 Ų026.5 Ų26.50%014%0.136CC..EExtended strand (participates in β ladder)trans-95.7104.7-178.4-58.4173.6000107.9L253 L264 L267 I271 M280 L281 C282L253-I255 HydrophobicContact CD2-CD1 4.22Å; L253-I255 HydrophobicContact CD2-CG1 3.95Å; L253-I255 HydrophobicContact CG-CG1 3.94Å; I255-L264 HydrophobicContact CG2-CB 4.35Å; I255-L264 HydrophobicContact CG2-CD1 3.74Å; I255-L267 HydrophobicContact CB-CD1 4.46Å; I255-L267 HydrophobicContact CD1-CB 4.2Å; I255-L267 HydrophobicContact CG1-CB 4.05Å; I255-L267 HydrophobicContact CG1-CD1 4.18Å; I255-L267 HydrophobicContact CG2-CB 3.94Å; I255-L267 HydrophobicContact CG2-CD1 4.19Å; I255-I271 HydrophobicContact CD1-CD1 3.54Å; I255-I271 HydrophobicContact CD1-CG1 3.67Å; I255-M280 PolarHBondContact N-O 2.85Å; I255-L281 HydrophobicContact CB-CD2 4.11Å; I255-C282 PolarHBondContact O-N 2.99Å; I255-C282 VanDerWaalsContact O-N 3.15Å
256R96Very high94.1Very high4 Ų423.4 Ų23.42%0.01513%0.132CC..EExtended strand (participates in β ladder)trans-79.1136.5-178177.9171.562.9-171.2-1.4112.6E236 A261 N263 L264 C282 D284E236-R256 VanDerWaalsContact CD-NH1 3.3Å; E236-R256 IonicContact OE1-CZ 2.9Å; E236-R256 IonicContact OE1-NH1 3.74Å; E236-R256 PolarHBondContact OE1-NH1 3.47Å; E236-R256 IonicContact OE1-NH2 2.88Å; E236-R256 IonicContact OE2-CZ 2.76Å; E236-R256 IonicContact OE2-NH1 3.79Å; E236-R256 PolarHBondContact OE2-NH1 2.99Å; E236-R256 IonicContact OE2-NH2 2.74Å; E236-R256 PolarHBondContact OE2-NH2 3.24Å; R256-A261 HydrophobicContact CG-CB 4.45Å; R256-N263 PolarHBondContact NE-OD1 2.76Å; R256-N263 VanDerWaalsContact NE-OD1 3.16Å; R256-N263 PolarHBondContact NH2-OD1 3.13Å; R256-N263 WeakPolarHBondContact O-CA 3.36Å; R256-N263 PolarHBondContact O-N 3.27Å; R256-L264 PolarHBondContact O-N 2.85Å; R256-C282 WeakPolarHBondContact CA-O 3.49Å; R256-C282 VanDerWaalsContact CA-SG 3.59Å; R256-D284 WeakPolarHBondContact CD-OD2 3.4Å; R256-D284 HydrophobicContact CG-CB 3.7Å; R256-D284 IonicContact CZ-OD2 2.7Å; R256-D284 IonicContact NE-OD2 3.44Å; R256-D284 IonicContact NH1-OD2 3.25Å; R256-D284 PolarHBondContact NH1-OD2 2.7Å
257E94Very high94.1Very high2 Ų223.3 Ų23.31%0.00913%0.132CC..BIsolated β-bridgetrans-137.878162.4-165.272.5-17300110.2R262 N263 L264 C282 R286 L300 R303E257-R262 VanDerWaalsContact OE1-CB 3.29Å; E257-R262 WeakPolarHBondContact OE1-CB 3.24Å; E257-R262 WeakPolarHBondContact OE1-CG 3.47Å; E257-R262 VanDerWaalsContact OE2-C 3.32Å; E257-R262 WeakPolarHBondContact OE2-CA 3.3Å; E257-N263 PolarHBondContact OE2-N 2.95Å; E257-L264 HydrophobicContact CB-CB 4.26Å; E257-L264 HydrophobicContact CG-CB 4.32Å; E257-L264 WeakPolarHBondContact OE2-CA 3.44Å; E257-L264 WeakPolarHBondContact OE2-CB 3.49Å; E257-L264 PolarHBondContact OE2-N 3.24Å; E257-C282 PolarHBondContact N-O 3.3Å; E257-R286 PolarHBondContact O-NH1 2.87Å; E257-L300 HydrophobicContact CB-CD1 3.88Å; E257-L300 HydrophobicContact CB-CD2 3.74Å; E257-L300 HydrophobicContact CB-CG 3.68Å; E257-L300 HydrophobicContact CG-CD1 4.38Å; E257-L300 HydrophobicContact CG-CG 4.39Å; E257-R303 VanDerWaalsContact CG-NH1 3.34Å; E257-R303 IonicContact OE1-CZ 3.76Å; E257-R303 VanDerWaalsContact OE1-CZ 3.25Å; E257-R303 IonicContact OE1-NH1 3.61Å; E257-R303 PolarHBondContact OE1-NH1 3.17Å; E257-R303 IonicContact OE1-NH2 2.98Å; E257-R303 PolarHBondContact OE1-NH2 3.06Å; E257-R303 IonicContact OE2-NH2 3.93Å
258G91.6Very high94.1Very high1 Ų122 Ų221%0.0113%0.125CC..  trans-91.1-171.6174.700000112.7A261 R262 T283 D285G258-A261 PolarHBondContact N-O 3.27Å; G258-R262 VanDerWaalsContact O-CG 3.23Å; G258-R262 WeakPolarHBondContact O-CG 3.48Å; G258-T283 WeakPolarHBondContact CA-O 3.41Å; G258-T283 PolarHBondContact N-O 3.04Å; G258-D285 CarbonylContact C-O 3.59Å; G258-D285 WeakPolarHBondContact CA-O 3.25Å
259S86.7Confident94.1Very high0 Ų020.3 Ų20.30%013%0.125CC..SBendtrans-71.9-50-178.2-62.40000112.7D285 R286 N287 E290 I553S259-D285 PolarHBondContact N-O 2.86Å; S259-R286 WeakPolarHBondContact OG-CA 3.27Å; S259-N287 PolarHBondContact OG-N 3.19Å; S259-N287 PolarHBondContact OG-ND2 3.16Å; S259-E290 WeakPolarHBondContact CA-OE1 3.39Å; S259-E290 WeakPolarHBondContact CA-OE2 3.42Å; S259-E290 VanDerWaalsContact CB-OE2 3.27Å; S259-E290 WeakPolarHBondContact CB-OE2 3.46Å; S259-E290 VanDerWaalsContact OG-CD 3.23Å; S259-E290 PolarHBondContact OG-OE2 3.33Å; S259-I553 WeakPolarHBondContact OG-CD1 3.29Å
260A80.5Confident94.1Very high3 Ų318.5 Ų18.53%0.02512%0.115CC..SBendtrans-91.5-30.7176.400000112.7N416 L418 I553 F557A260-N416 CarbonylContact O-C 3.17Å; A260-N416 VanDerWaalsContact O-CA 3.24Å; A260-N416 WeakPolarHBondContact O-CA 3.38Å; A260-L418 HydrophobicContact CB-CD2 3.81Å; A260-I553 HydrophobicContact CB-CB 4.43Å; A260-I553 HydrophobicContact CB-CG2 3.54Å; A260-F557 HydrophobicContact CB-CD2 4.46Å; A260-F557 HydrophobicContact CB-CE2 4.32Å
261A83.2Confident94.2Very high7 Ų717.2 Ų17.26%0.05810%0.098CC..  trans-109.399.1-176.100000111.9R256 G258 L418R256-A261 HydrophobicContact CG-CB 4.45Å; G258-A261 PolarHBondContact N-O 3.27Å; A261-L418 HydrophobicContact CB-CD1 3.93Å; A261-L418 HydrophobicContact CB-CD2 3.92Å; A261-L418 HydrophobicContact CB-CG 3.77Å
262R88.3Confident94.1Very high83 Ų8320.6 Ų20.631%0.31312%0.116SC..BIsolated β-bridgetrans-10982.2-174.3-69.5-176.4176.7-137.30.7111.5E257 G258 E290 E294E257-R262 VanDerWaalsContact OE1-CB 3.29Å; E257-R262 WeakPolarHBondContact OE1-CB 3.24Å; E257-R262 WeakPolarHBondContact OE1-CG 3.47Å; E257-R262 VanDerWaalsContact OE2-C 3.32Å; E257-R262 WeakPolarHBondContact OE2-CA 3.3Å; G258-R262 VanDerWaalsContact O-CG 3.23Å; G258-R262 WeakPolarHBondContact O-CG 3.48Å; R262-E290 IonicContact CZ-OE1 2.95Å; R262-E290 IonicContact NH2-OE1 2.75Å; R262-E290 PolarHBondContact NH2-OE1 3.17Å; R262-E294 IonicContact CZ-OE1 3.27Å; R262-E294 IonicContact NH1-OE1 2.7Å; R262-E294 IonicContact NH2-OE1 2.6Å; R262-E294 PolarHBondContact NH2-OE1 2.98Å; R262-E294 VanDerWaalsContact NH2-OE1 3.16Å; R262-E294 IonicContact NH2-OE2 3.28Å
263N92.2Very high94Very high15 Ų1525.6 Ų25.68%0.0814%0.138CC..  trans-99.2-6.3-170.8-54.5117.9000114.2Y238 R256 E257 N265 A266 L267Y238-N263 WeakPolarHBondContact CB-ND2 3.25Å; R256-N263 PolarHBondContact NE-OD1 2.76Å; R256-N263 VanDerWaalsContact NE-OD1 3.16Å; R256-N263 PolarHBondContact NH2-OD1 3.13Å; R256-N263 WeakPolarHBondContact O-CA 3.36Å; R256-N263 PolarHBondContact O-N 3.27Å; E257-N263 PolarHBondContact OE2-N 2.95Å; N263-N265 VanDerWaalsContact C-N 3.29Å; N263-N265 PolarHBondContact O-N 3.41Å; N263-A266 PolarHBondContact O-N 2.98Å; N263-A266 VanDerWaalsContact O-N 3.12Å; N263-L267 HydrophobicContact CB-CD1 4.12Å; N263-L267 HydrophobicContact CB-CG 4.48Å; N263-L267 PolarHBondContact O-N 3.1Å
264L95.5Very high93.9Very high0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-55.2-44.5-178.2-172.178.1000111.7I255 R256 E257 A266 L267 A268 L281 R303 L304I255-L264 HydrophobicContact CG2-CB 4.35Å; I255-L264 HydrophobicContact CG2-CD1 3.74Å; R256-L264 PolarHBondContact O-N 2.85Å; E257-L264 HydrophobicContact CB-CB 4.26Å; E257-L264 HydrophobicContact CG-CB 4.32Å; E257-L264 WeakPolarHBondContact OE2-CA 3.44Å; E257-L264 WeakPolarHBondContact OE2-CB 3.49Å; E257-L264 PolarHBondContact OE2-N 3.24Å; L264-A266 VanDerWaalsContact C-N 3.29Å; L264-A266 PolarHBondContact O-N 2.93Å; L264-L267 PolarHBondContact O-N 2.97Å; L264-A268 WeakPolarHBondContact O-CA 3.47Å; L264-A268 WeakPolarHBondContact O-CB 3.32Å; L264-A268 PolarHBondContact O-N 2.87Å; L264-L281 HydrophobicContact CD1-CD2 4.16Å; L264-R303 HydrophobicContact CD2-CB 3.57Å; L264-R303 HydrophobicContact CD2-CG 4.48Å; L264-L304 HydrophobicContact CD1-CD2 3.64Å; L264-L304 HydrophobicContact CD1-CG 4.11Å; L264-L304 HydrophobicContact CG-CD2 4.22Å
265N95.5Very high93.9Very high86 Ų8636.2 Ų36.246%0.4619%0.186SC..Hα-helixtrans-65.8-33.6-177.2-69.4-18.8000112.9N263 R303 H308N263-N265 VanDerWaalsContact C-N 3.29Å; N263-N265 PolarHBondContact O-N 3.41Å; N265-R303 PolarHBondContact OD1-NH2 3Å; N265-R303 VanDerWaalsContact OD1-NH2 3.11Å; N265-H308 PolarHBondContact OD1-NE2 3.12Å
266A95Very high93.9Very high38 Ų3836.2 Ų36.231%0.31419%0.186SC..Hα-helixtrans-75.8-35.1178.700000112.1L240 N263 L264L240-A266 WeakPolarHBondContact CD1-O 3.41Å; N263-A266 PolarHBondContact O-N 2.98Å; N263-A266 VanDerWaalsContact O-N 3.12Å; L264-A266 VanDerWaalsContact C-N 3.29Å; L264-A266 PolarHBondContact O-N 2.93Å
267L97.5Very high93.9Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-103.5-25.5-169.6-61-179.4000114.8S237 Q239 L253 I255 N263 L264 P269 L270S237-L267 WeakPolarHBondContact O-CD1 3.4Å; Q239-L267 WeakPolarHBondContact O-CD2 3.38Å; L253-L267 HydrophobicContact CD1-CD1 4.22Å; I255-L267 HydrophobicContact CB-CD1 4.46Å; I255-L267 HydrophobicContact CD1-CB 4.2Å; I255-L267 HydrophobicContact CG1-CB 4.05Å; I255-L267 HydrophobicContact CG1-CD1 4.18Å; I255-L267 HydrophobicContact CG2-CB 3.94Å; I255-L267 HydrophobicContact CG2-CD1 4.19Å; N263-L267 HydrophobicContact CB-CD1 4.12Å; N263-L267 HydrophobicContact CB-CG 4.48Å; N263-L267 PolarHBondContact O-N 3.1Å; L264-L267 PolarHBondContact O-N 2.97Å; L267-P269 VanDerWaalsContact C-N 3.26Å; L267-P269 VanDerWaalsContact O-N 3.17Å; L267-L270 HydrophobicContact CD2-CD1 4.09Å; L267-L270 VanDerWaalsContact O-CB 3.25Å; L267-L270 WeakPolarHBondContact O-CB 3.35Å; L267-L270 WeakPolarHBondContact O-CG 3.5Å; L267-L270 PolarHBondContact O-N 2.84Å
268A98Very high94.1Very high1 Ų141.8 Ų41.81%0.00822%0.217CC..G310 helixtrans-51.5-36.5178.500000113.9L264 L270 I271 L304 H308L264-A268 WeakPolarHBondContact O-CA 3.47Å; L264-A268 WeakPolarHBondContact O-CB 3.32Å; L264-A268 PolarHBondContact O-N 2.87Å; A268-L270 PolarHBondContact O-N 2.75Å; A268-I271 WeakPolarHBondContact O-CB 3.05Å; A268-I271 PolarHBondContact O-N 3.33Å; A268-L304 HydrophobicContact CB-CD2 3.54Å; A268-H308 HydrophobicContact CB-CB 3.98Å
269P97.7Very high94.4Very high87 Ų8741.7 Ų41.757%0.56522%0.216SC*.G310 helixtrans-61.2-13.6175.1-24.835.6000115.2L240 L267L240-P269 HydrophobicContact CD1-CB 4.01Å; L240-P269 HydrophobicContact CD1-CG 4.44Å; L267-P269 VanDerWaalsContact C-N 3.26Å; L267-P269 VanDerWaalsContact O-N 3.17Å
270L97.7Very high95Very high7 Ų741.8 Ų41.84%0.03722%0.217CC..G310 helixtrans-75.2-28.6173.2-62.1173.1000112.2L240 R244 L247 L253 L267 A268 N272 N275L240-L270 HydrophobicContact CD1-CD1 4.35Å; L240-L270 HydrophobicContact CD1-CD2 3.62Å; L240-L270 HydrophobicContact CD1-CG 3.61Å; L240-L270 HydrophobicContact CG-CD2 4.01Å; L240-L270 HydrophobicContact CG-CG 4.43Å; R244-L270 HydrophobicContact CB-CD2 3.86Å; L247-L270 HydrophobicContact CD1-CB 4.48Å; L247-L270 HydrophobicContact CD1-CD1 4.49Å; L253-L270 HydrophobicContact CD2-CD1 3.71Å; L267-L270 HydrophobicContact CD2-CD1 4.09Å; L267-L270 VanDerWaalsContact O-CB 3.25Å; L267-L270 WeakPolarHBondContact O-CB 3.35Å; L267-L270 WeakPolarHBondContact O-CG 3.5Å; L267-L270 PolarHBondContact O-N 2.84Å; A268-L270 PolarHBondContact O-N 2.75Å; L270-N272 PolarHBondContact O-N 2.98Å; L270-N272 PolarHBondContact O-ND2 3.02Å; L270-N275 PolarHBondContact O-ND2 3.1Å; L270-N275 PolarHBondContact O-OD1 3.37Å
271I98.4Very high95.9Very high17 Ų1741.7 Ų41.79%0.08722%0.215CC..  trans-70.6126.8-171.3-53.4175.3000110.4I255 A268 C279 L304 V310 V314 V318I255-I271 HydrophobicContact CD1-CD1 3.54Å; I255-I271 HydrophobicContact CD1-CG1 3.67Å; A268-I271 WeakPolarHBondContact O-CB 3.05Å; A268-I271 PolarHBondContact O-N 3.33Å; I271-C279 HydrophobicContact CG1-CB 4.48Å; I271-L304 HydrophobicContact CD1-CD1 3.87Å; I271-L304 HydrophobicContact CD1-CD2 3.77Å; I271-L304 HydrophobicContact CD1-CG 4.5Å; I271-V310 HydrophobicContact CG2-CG1 4.24Å; I271-V314 HydrophobicContact CG2-CG1 3.55Å; I271-V318 HydrophobicContact CG2-CG1 4.07Å
272N96.7Very high96.6Very high72 Ų7241.3 Ų41.339%0.38521%0.213SC..  trans-146.3173.5170.659.568.2000110.8L270 F274 N275 S276L270-N272 PolarHBondContact O-N 2.98Å; L270-N272 PolarHBondContact O-ND2 3.02Å; N272-F274 PolarHBondContact O-N 3.03Å; N272-F274 WeakPolarHBondContact OD1-CA 3.32Å; N272-F274 WeakPolarHBondContact OD1-CB 3.38Å; N272-F274 PolarHBondContact OD1-N 2.99Å; N272-N275 VanDerWaalsContact CG-OD1 3.25Å; N272-N275 PolarHBondContact N-OD1 3.3Å; N272-N275 VanDerWaalsContact ND2-CG 3.34Å; N272-N275 PolarHBondContact ND2-ND2 2.98Å; N272-N275 VanDerWaalsContact ND2-ND2 3.12Å; N272-N275 PolarHBondContact ND2-OD1 2.8Å; N272-N275 PolarHBondContact O-N 3.32Å; N272-N275 PolarHBondContact O-OD1 2.81Å; N272-N275 PolarHBondContact OD1-N 3.35Å; N272-N275 PolarHBondContact OD1-OD1 3.41Å; N272-S276 WeakPolarHBondContact O-CB 3.46Å; N272-S276 PolarHBondContact O-N 3.37Å; N272-S276 PolarHBondContact O-OG 2.66Å
273E95.8Very high97Very high114 Ų11437.4 Ų37.453%0.53320%0.198SC..THydrogen-bonded Turntrans-58.2-34.4-177.8-66.7-179.3142.100113.2S276 H313 V314 R317E273-S276 PolarHBondContact O-OG 3.42Å; E273-S276 VanDerWaalsContact O-OG 3.08Å; E273-H313 IonicContact OE1-CE1 3.17Å; E273-H313 PolarHBondContact OE1-CE1 2.78Å; E273-H313 IonicContact OE1-NE2 3.86Å; E273-H313 PolarHBondContact OE1-NE2 2.92Å; E273-V314 HydrophobicContact CB-CG2 4.45Å; E273-V314 HydrophobicContact CG-CG2 3.59Å; E273-R317 PolarHBondContact O-NH1 3.13Å
274F96.1Very high97.1Very high193 Ų19336.9 Ų36.985%0.84620%0.195SC*.THydrogen-bonded Turntrans-74.3-47.7-177.5176.7-96000112.5N272 P277N272-F274 PolarHBondContact O-N 3.03Å; N272-F274 WeakPolarHBondContact OD1-CA 3.32Å; N272-F274 WeakPolarHBondContact OD1-CB 3.38Å; N272-F274 PolarHBondContact OD1-N 2.99Å; F274-P277 WeakPolarHBondContact O-CD 2.91Å
275N97.1Very high97.1Very high31 Ų3137.3 Ų37.317%0.16620%0.197CC..THydrogen-bonded Turntrans-93.7-10.4-17669.93.2000114.5L270 N272 P277 Q278L270-N275 PolarHBondContact O-ND2 3.1Å; L270-N275 PolarHBondContact O-OD1 3.37Å; N272-N275 VanDerWaalsContact CG-OD1 3.25Å; N272-N275 PolarHBondContact N-OD1 3.3Å; N272-N275 VanDerWaalsContact ND2-CG 3.34Å; N272-N275 PolarHBondContact ND2-ND2 2.98Å; N272-N275 VanDerWaalsContact ND2-ND2 3.12Å; N272-N275 PolarHBondContact ND2-OD1 2.8Å; N272-N275 PolarHBondContact O-N 3.32Å; N272-N275 PolarHBondContact O-OD1 2.81Å; N272-N275 PolarHBondContact OD1-N 3.35Å; N272-N275 PolarHBondContact OD1-OD1 3.41Å; N275-P277 WeakPolarHBondContact O-CD 3.41Å; N275-Q278 WeakPolarHBondContact O-CB 3.33Å; N275-Q278 PolarHBondContact O-N 3.16Å
276S97.7Very high97Very high0 Ų033.4 Ų33.40%018%0.176CC..G310 helixtrans-48.7-31177.555.50000116N272 E273 Q278 C279 R317 S322N272-S276 WeakPolarHBondContact O-CB 3.46Å; N272-S276 PolarHBondContact O-N 3.37Å; N272-S276 PolarHBondContact O-OG 2.66Å; E273-S276 PolarHBondContact O-OG 3.42Å; E273-S276 VanDerWaalsContact O-OG 3.08Å; S276-Q278 PolarHBondContact O-N 3.09Å; S276-Q278 VanDerWaalsContact O-N 3.14Å; S276-C279 PolarHBondContact O-N 3.28Å; S276-C279 VanDerWaalsContact O-N 3.15Å; S276-R317 WeakPolarHBondContact OG-CD 3.37Å; S276-R317 PolarHBondContact OG-NH1 3.15Å; S276-S322 WeakPolarHBondContact O-CB 3.21Å; S276-S322 PolarHBondContact O-OG 3.48Å
277P97.5Very high96.8Very high51 Ų5131.7 Ų31.733%0.33116%0.162SC..G310 helixtrans-61.7-17.3173.1-23.335.7000115.2F274 N275 W321 S322F274-P277 WeakPolarHBondContact O-CD 2.91Å; N275-P277 WeakPolarHBondContact O-CD 3.41Å; P277-W321 HydrophobicContact CB-CH2 4.34Å; P277-W321 HydrophobicContact CB-CZ3 3.76Å; P277-W321 HydrophobicContact CG-CZ3 3.91Å; P277-S322 WeakPolarHBondContact CA-OG 3.42Å
278Q97.8Very high96.4Very high71 Ų7131.7 Ų31.733%0.33216%0.162SC..G310 helixtrans-106.61.7179.9-82.3-88.919.900112.5L247 G250 S252 L253 N275 S276L247-Q278 HydrophobicContact CD2-CB 3.85Å; G250-Q278 PolarHBondContact O-NE2 3.16Å; S252-Q278 WeakPolarHBondContact CA-O 3.3Å; S252-Q278 PolarHBondContact OG-OE1 3.08Å; L253-Q278 PolarHBondContact N-O 3.11Å; N275-Q278 WeakPolarHBondContact O-CB 3.33Å; N275-Q278 PolarHBondContact O-N 3.16Å; S276-Q278 PolarHBondContact O-N 3.09Å; S276-Q278 VanDerWaalsContact O-N 3.14Å
279C98.6Very high96.1Very high0 Ų034.3 Ų34.30%017%0.171CC..EExtended strand (participates in β ladder)trans-111139.6176.6-59.70000109.9L253 I271 S276 V318 S322L253-C279 CarbonylContact O-C 3.54Å; L253-C279 WeakPolarHBondContact O-CA 3.36Å; I271-C279 HydrophobicContact CG1-CB 4.48Å; S276-C279 PolarHBondContact O-N 3.28Å; S276-C279 VanDerWaalsContact O-N 3.15Å; C279-V318 HydrophobicContact CB-CG1 3.92Å; C279-V318 WeakPolarHBondContact O-CB 3.46Å; C279-S322 WeakPolarHBondContact O-CB 3.38Å
280M98.7Very high95.7Very high2 Ų230.1 Ų30.11%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-134.6163178.6-64.7174.6-79.600110.1A89 N233 L253 M254 I255 V318 T323 H326 F327A89-M280 HydrophobicContact CB-CB 3.76Å; A89-M280 HydrophobicContact CB-CG 4.41Å; A89-M280 HydrophobicContact CB-SD 4.03Å; N233-M280 HydrophobicContact CB-CE 4.39Å; L253-M280 PolarHBondContact O-N 3.25Å; M254-M280 HydrophobicContact CE-CE 3.89Å; M254-M280 HydrophobicContact CE-SD 4.5Å; M254-M280 HydrophobicContact CG-CB 4.32Å; M254-M280 HydrophobicContact CG-CE 3.72Å; I255-M280 PolarHBondContact N-O 2.85Å; M280-V318 WeakPolarHBondContact CA-O 3.25Å; M280-T323 HydrophobicContact SD-CG2 4.11Å; M280-H326 HydrophobicContact CE-CB 4.08Å; M280-H326 HydrophobicContact SD-CB 3.57Å; M280-H326 VanDerWaalsContact SD-CB 3.57Å; M280-F327 HydrophobicContact SD-CE2 4.11Å
281L98.7Very high95.5Very high0 Ų029.9 Ų29.90%014%0.143CC..EExtended strand (participates in β ladder)trans-109.3142172.6-61.9-177.8000110.3A89 I255 L264 I297 L300 I301 L304 V318 A319A89-L281 VanDerWaalsContact CB-O 3.26Å; A89-L281 WeakPolarHBondContact CB-O 3.44Å; A89-L281 PolarHBondContact N-O 2.94Å; I255-L281 HydrophobicContact CB-CD2 4.11Å; L264-L281 HydrophobicContact CD1-CD2 4.16Å; L281-I297 HydrophobicContact CB-CD1 3.98Å; L281-I297 HydrophobicContact CD1-CG2 4.48Å; L281-L300 HydrophobicContact CB-CD2 4.09Å; L281-L300 HydrophobicContact CD1-CB 3.9Å; L281-L300 HydrophobicContact CD2-CD2 4.36Å; L281-I301 HydrophobicContact CD1-CG1 4.17Å; L281-L304 HydrophobicContact CD1-CD1 4.02Å; L281-L304 HydrophobicContact CD2-CD1 4.09Å; L281-V318 HydrophobicContact CD1-CG2 4.21Å; L281-V318 HydrophobicContact CD2-CG2 4.45Å; L281-V318 HydrophobicContact CG-CG2 4.05Å; L281-V318 PolarHBondContact N-O 3.12Å; L281-A319 HydrophobicContact CD1-CB 3.87Å
282C98.3Very high95.1Very high0 Ų031.4 Ų31.40%015%0.153CC..EExtended strand (participates in β ladder)trans-146.1156.6173.965.90000111.3D88 A89 H90 I255 R256 E257 L300D88-C282 VanDerWaalsContact OD1-CA 3.23Å; D88-C282 WeakPolarHBondContact OD1-CA 3.27Å; D88-C282 WeakPolarHBondContact OD1-CB 3.3Å; A89-C282 HydrophobicContact CB-CB 4.32Å; H90-C282 HydrophobicContact CB-CB 3.86Å; H90-C282 VanDerWaalsContact O-CB 3.29Å; H90-C282 WeakPolarHBondContact O-CB 3.49Å; I255-C282 PolarHBondContact O-N 2.99Å; I255-C282 VanDerWaalsContact O-N 3.15Å; R256-C282 WeakPolarHBondContact CA-O 3.49Å; R256-C282 VanDerWaalsContact CA-SG 3.59Å; E257-C282 PolarHBondContact N-O 3.3Å; C282-L300 WeakPolarHBondContact O-CD2 3.1Å
283T96.9Very high94.8Very high1 Ų133 Ų331%0.00616%0.158CC..  trans-97.9-24.3171.358.20000113.7D88 G258 D285 H296 I297 L300D88-T283 PolarHBondContact OD1-N 3.16Å; D88-T283 WeakPolarHBondContact OD2-CG2 3.29Å; D88-T283 PolarHBondContact OD2-N 3.46Å; D88-T283 VanDerWaalsContact OD2-N 3.12Å; D88-T283 PolarHBondContact OD2-OG1 2.96Å; D88-T283 VanDerWaalsContact OD2-OG1 3.11Å; G258-T283 WeakPolarHBondContact CA-O 3.41Å; G258-T283 PolarHBondContact N-O 3.04Å; T283-D285 PolarHBondContact O-N 3.11Å; T283-D285 VanDerWaalsContact O-N 3.16Å; T283-H296 WeakPolarHBondContact CG2-CE1 3.41Å; T283-H296 VanDerWaalsContact CG2-ND1 3.26Å; T283-H296 WeakPolarHBondContact CG2-ND1 3.39Å; T283-H296 PolarHBondContact OG1-CE1 2.99Å; T283-I297 HydrophobicContact CG2-CD1 4.3Å; T283-L300 HydrophobicContact CG2-CD1 4.44Å
284D95.1Very high94.7Very high3 Ų330.3 Ų30.32%0.01615%0.146CC..BIsolated β-bridgetrans55.4-117.7-170.9-156.320.9000109.1H90 H92 H235 R256H90-D284 IonicContact CD2-OD1 3.61Å; H90-D284 PolarHBondContact CD2-OD1 2.9Å; H90-D284 IonicContact NE2-OD1 3.16Å; H90-D284 PolarHBondContact NE2-OD1 2.82Å; H90-D284 WeakPolarHBondContact O-CA 3.37Å; H90-D284 PolarHBondContact O-N 3.34Å; H92-D284 IonicContact CD2-OD1 3.84Å; H92-D284 PolarHBondContact CD2-OD1 2.77Å; H92-D284 VanDerWaalsContact CD2-OD1 3.32Å; H92-D284 PolarHBondContact N-O 2.63Å; H92-D284 IonicContact NE2-OD1 2.61Å; H92-D284 PolarHBondContact NE2-OD1 3.13Å; H235-D284 IonicContact CD2-OD2 3.39Å; R256-D284 WeakPolarHBondContact CD-OD2 3.4Å; R256-D284 HydrophobicContact CG-CB 3.7Å; R256-D284 IonicContact CZ-OD2 2.7Å; R256-D284 IonicContact NE-OD2 3.44Å; R256-D284 IonicContact NH1-OD2 3.25Å; R256-D284 PolarHBondContact NH1-OD2 2.7Å
285D94Very high94.6Very high9 Ų921.1 Ų21.15%0.04811%0.105CC..SBendtrans-85.9113174.6-52-73.4000113.4H92 S95 G258 S259 T283 H473 F557H92-D285 IonicContact CD2-OD1 3.38Å; H92-D285 PolarHBondContact CD2-OD1 2.9Å; H92-D285 IonicContact CG-OD1 3.54Å; S95-D285 VanDerWaalsContact CB-OD1 3.25Å; S95-D285 WeakPolarHBondContact CB-OD1 3.36Å; S95-D285 PolarHBondContact OG-OD1 2.63Å; G258-D285 CarbonylContact C-O 3.59Å; G258-D285 WeakPolarHBondContact CA-O 3.25Å; S259-D285 PolarHBondContact N-O 2.86Å; T283-D285 PolarHBondContact O-N 3.11Å; T283-D285 VanDerWaalsContact O-N 3.16Å; D285-H473 IonicContact OD1-CE1 3.78Å; D285-H473 IonicContact OD1-NE2 2.81Å; D285-F557 HydrophobicContact CB-CZ 4.49Å; D285-F557 VanDerWaalsContact OD2-CZ 3.31Å; D285-F557 WeakPolarHBondContact OD2-CZ 3.37Å
286R93.2Very high94.6Very high4 Ų419.7 Ų19.72%0.01510%0.098CC..  trans-136.4122.2177.2-160.6173.6-178.684.812.4112.6S95 S96 E257 S259 E290 I291 E294 G295S95-R286 CarbonylContact C-O 3.57Å; S96-R286 WeakPolarHBondContact CA-O 3.22Å; S96-R286 WeakPolarHBondContact CB-O 3.24Å; S96-R286 PolarHBondContact N-O 3.1Å; E257-R286 PolarHBondContact O-NH1 2.87Å; S259-R286 WeakPolarHBondContact OG-CA 3.27Å; R286-E290 HydrophobicContact CG-CB 4.17Å; R286-I291 HydrophobicContact CB-CG1 4.5Å; R286-I291 HydrophobicContact CG-CG1 4.01Å; R286-E294 IonicContact CZ-OE2 3.36Å; R286-E294 IonicContact NH2-OE2 3.78Å; R286-E294 PolarHBondContact NH2-OE2 3.2Å; R286-G295 PolarHBondContact NE-O 3.26Å; R286-G295 PolarHBondContact NH2-O 2.78Å; R286-G295 VanDerWaalsContact NH2-O 3.13Å
287N91.1Very high94.6Very high2 Ų219.8 Ų19.81%0.01110%0.098CC..  trans-74.3161.3-176.67164.3000113.7S259 W289 E290 I291 E550 I553S259-N287 PolarHBondContact OG-N 3.19Å; S259-N287 PolarHBondContact OG-ND2 3.16Å; N287-W289 VanDerWaalsContact C-N 3.26Å; N287-W289 PolarHBondContact O-N 3.34Å; N287-W289 WeakPolarHBondContact OD1-CA 3.45Å; N287-W289 VanDerWaalsContact OD1-CB 3.22Å; N287-W289 WeakPolarHBondContact OD1-CB 3.47Å; N287-W289 PolarHBondContact OD1-N 3.03Å; N287-E290 PolarHBondContact O-N 3.18Å; N287-E290 PolarHBondContact OD1-N 3.45Å; N287-I291 WeakPolarHBondContact O-CG1 3.29Å; N287-I291 PolarHBondContact O-N 3.26Å; N287-E550 PolarHBondContact ND2-OE1 3.47Å; N287-E550 PolarHBondContact ND2-OE2 3.46Å; N287-E550 VanDerWaalsContact ND2-OE2 3.11Å; N287-I553 HydrophobicContact CB-CD1 3.73Å
288P88.9Confident94.6Very high0 Ų018 Ų180%09%0.085CC..Hα-helixtrans-51.6-43.1176-23.925.2000114.7S96 M97 M98 E290 I291 V292 L530 I534S96-P288 WeakPolarHBondContact O-CD 3.07Å; S96-P288 WeakPolarHBondContact O-CG 3.33Å; M97-P288 HydrophobicContact CB-CG 4.14Å; M98-P288 HydrophobicContact CE-CB 3.49Å; M98-P288 VanDerWaalsContact CE-CB 3.49Å; M98-P288 HydrophobicContact CE-CG 4.01Å; P288-E290 PolarHBondContact O-N 2.75Å; P288-I291 PolarHBondContact O-N 2.74Å; P288-V292 VanDerWaalsContact O-CG2 3.32Å; P288-V292 WeakPolarHBondContact O-CG2 3.47Å; P288-V292 PolarHBondContact O-N 3.25Å; P288-L530 HydrophobicContact CB-CB 4.01Å; P288-L530 HydrophobicContact CG-CB 3.92Å; P288-L530 HydrophobicContact CG-CD1 4.43Å; P288-I534 HydrophobicContact CB-CD1 3.91Å; P288-I534 HydrophobicContact CG-CD1 3.46Å; P288-I534 VanDerWaalsContact CG-CD1 3.46Å
289W91.6Very high94.6Very high56 Ų5614.8 Ų14.821%0.2127%0.071CC..Hα-helixtrans-64.8-44.3-171.4-177.298.6000110.2N287 V292 H293 I534 D535N287-W289 VanDerWaalsContact C-N 3.26Å; N287-W289 PolarHBondContact O-N 3.34Å; N287-W289 WeakPolarHBondContact OD1-CA 3.45Å; N287-W289 VanDerWaalsContact OD1-CB 3.22Å; N287-W289 WeakPolarHBondContact OD1-CB 3.47Å; N287-W289 PolarHBondContact OD1-N 3.03Å; W289-V292 PolarHBondContact O-N 2.87Å; W289-H293 AromaticContact CD1-CE1 3.46Å; W289-H293 VanDerWaalsContact CD1-CE1 3.46Å; W289-H293 AromaticContact CD1-ND1 3.61Å; W289-H293 AromaticContact CD2-ND1 3.51Å; W289-H293 AromaticContact CE2-CE1 3.59Å; W289-H293 AromaticContact CE2-CG 3.89Å; W289-H293 AromaticContact CE2-ND1 3.4Å; W289-H293 HydrophobicContact CE3-CB 4.49Å; W289-H293 AromaticContact CG-CE1 3.96Å; W289-H293 AromaticContact CG-ND1 3.63Å; W289-H293 HydrophobicContact CH2-CB 4.34Å; W289-H293 HydrophobicContact CZ2-CB 4.47Å; W289-H293 AromaticContact CZ2-ND1 3.99Å; W289-H293 HydrophobicContact CZ3-CB 4.36Å; W289-H293 AromaticContact NE1-CE1 3.2Å; W289-H293 PolarHBondContact NE1-CE1 3.25Å; W289-H293 AromaticContact NE1-ND1 3.47Å; W289-H293 PolarHBondContact NE1-ND1 3.09Å; W289-H293 AromaticContact NE1-NE2 3.92Å; W289-H293 WeakPolarHBondContact O-CB 3.48Å; W289-H293 PolarHBondContact O-N 2.89Å; W289-H293 PolarHBondContact O-ND1 3.4Å; W289-I534 HydrophobicContact CB-CB 4.35Å; W289-I534 HydrophobicContact CB-CG2 3.82Å; W289-I534 HydrophobicContact CG-CG2 4.3Å; W289-D535 VanDerWaalsContact CD1-OD1 3.3Å; W289-D535 VanDerWaalsContact NE1-CG 3.28Å; W289-D535 PolarHBondContact NE1-OD1 2.94Å; W289-D535 PolarHBondContact NE1-OD2 3.08Å
290E90.9Very high94.6Very high0 Ų014.8 Ų14.80%07%0.071CC..Hα-helixtrans-68.1-38.3176.3-70.8-177.7161.200112.5S259 R262 R286 N287 P288 V292 H293 E294 G295S259-E290 WeakPolarHBondContact CA-OE1 3.39Å; S259-E290 WeakPolarHBondContact CA-OE2 3.42Å; S259-E290 VanDerWaalsContact CB-OE2 3.27Å; S259-E290 WeakPolarHBondContact CB-OE2 3.46Å; S259-E290 VanDerWaalsContact OG-CD 3.23Å; S259-E290 PolarHBondContact OG-OE2 3.33Å; R262-E290 IonicContact CZ-OE1 2.95Å; R262-E290 IonicContact NH2-OE1 2.75Å; R262-E290 PolarHBondContact NH2-OE1 3.17Å; R286-E290 HydrophobicContact CG-CB 4.17Å; N287-E290 PolarHBondContact O-N 3.18Å; N287-E290 PolarHBondContact OD1-N 3.45Å; P288-E290 PolarHBondContact O-N 2.75Å; E290-V292 VanDerWaalsContact C-N 3.28Å; E290-V292 PolarHBondContact O-N 2.95Å; E290-H293 PolarHBondContact O-N 3.23Å; E290-E294 WeakPolarHBondContact O-CA 3.23Å; E290-E294 VanDerWaalsContact O-CB 3.32Å; E290-E294 WeakPolarHBondContact O-CB 3.21Å; E290-E294 PolarHBondContact O-N 3.4Å; E290-G295 PolarHBondContact O-N 3.47Å; E290-G295 VanDerWaalsContact O-N 3.1Å
291I93.6Very high94.6Very high1 Ų114.7 Ų14.71%0.0057%0.071CC..Hα-helixtrans-60.5-42.7175.2-65.2170.4000110.3F103 T107 R110 R286 N287 P288 G295F103-I291 HydrophobicContact CD2-CD1 4.46Å; F103-I291 HydrophobicContact CE2-CD1 4.08Å; T107-I291 HydrophobicContact CG2-CG2 3.99Å; R110-I291 PolarHBondContact NH2-O 3.19Å; R286-I291 HydrophobicContact CB-CG1 4.5Å; R286-I291 HydrophobicContact CG-CG1 4.01Å; N287-I291 WeakPolarHBondContact O-CG1 3.29Å; N287-I291 PolarHBondContact O-N 3.26Å; P288-I291 PolarHBondContact O-N 2.74Å; I291-G295 WeakPolarHBondContact O-CA 2.93Å; I291-G295 PolarHBondContact O-N 3.01Å
292V89.8Confident94.6Very high50 Ų5018 Ų1830%0.3038%0.084SC..Hα-helixtrans-68.4-47.4179170.40000111.6R110 P288 W289 E290 A531R110-V292 PolarHBondContact NH2-O 3.42Å; P288-V292 VanDerWaalsContact O-CG2 3.32Å; P288-V292 WeakPolarHBondContact O-CG2 3.47Å; P288-V292 PolarHBondContact O-N 3.25Å; W289-V292 PolarHBondContact O-N 2.87Å; E290-V292 VanDerWaalsContact C-N 3.28Å; E290-V292 PolarHBondContact O-N 2.95Å; V292-A531 HydrophobicContact CB-CB 4.36Å; V292-A531 HydrophobicContact CG2-CB 4.13Å
293H90.2Very high94.5Very high105 Ų10519.4 Ų19.449%0.4869%0.089SC..Hα-helixtrans-89.6-38-169.8-67.989.9000114.5W289 E290W289-H293 AromaticContact CD1-CE1 3.46Å; W289-H293 VanDerWaalsContact CD1-CE1 3.46Å; W289-H293 AromaticContact CD1-ND1 3.61Å; W289-H293 AromaticContact CD2-ND1 3.51Å; W289-H293 AromaticContact CE2-CE1 3.59Å; W289-H293 AromaticContact CE2-CG 3.89Å; W289-H293 AromaticContact CE2-ND1 3.4Å; W289-H293 HydrophobicContact CE3-CB 4.49Å; W289-H293 AromaticContact CG-CE1 3.96Å; W289-H293 AromaticContact CG-ND1 3.63Å; W289-H293 HydrophobicContact CH2-CB 4.34Å; W289-H293 HydrophobicContact CZ2-CB 4.47Å; W289-H293 AromaticContact CZ2-ND1 3.99Å; W289-H293 HydrophobicContact CZ3-CB 4.36Å; W289-H293 AromaticContact NE1-CE1 3.2Å; W289-H293 PolarHBondContact NE1-CE1 3.25Å; W289-H293 AromaticContact NE1-ND1 3.47Å; W289-H293 PolarHBondContact NE1-ND1 3.09Å; W289-H293 AromaticContact NE1-NE2 3.92Å; W289-H293 WeakPolarHBondContact O-CB 3.48Å; W289-H293 PolarHBondContact O-N 2.89Å; W289-H293 PolarHBondContact O-ND1 3.4Å; E290-H293 PolarHBondContact O-N 3.23Å
294E92.1Very high94.6Very high58 Ų5819.3 Ų19.327%0.2719%0.088SC..THydrogen-bonded Turntrans-103.5-32.4-175.5-58.2-174.317700112.6R262 R286 E290 A299 R302R262-E294 IonicContact CZ-OE1 3.27Å; R262-E294 IonicContact NH1-OE1 2.7Å; R262-E294 IonicContact NH2-OE1 2.6Å; R262-E294 PolarHBondContact NH2-OE1 2.98Å; R262-E294 VanDerWaalsContact NH2-OE1 3.16Å; R262-E294 IonicContact NH2-OE2 3.28Å; R286-E294 IonicContact CZ-OE2 3.36Å; R286-E294 IonicContact NH2-OE2 3.78Å; R286-E294 PolarHBondContact NH2-OE2 3.2Å; E290-E294 WeakPolarHBondContact O-CA 3.23Å; E290-E294 VanDerWaalsContact O-CB 3.32Å; E290-E294 WeakPolarHBondContact O-CB 3.21Å; E290-E294 PolarHBondContact O-N 3.4Å; E294-A299 WeakPolarHBondContact O-CB 3.04Å; E294-R302 PolarHBondContact O-NH2 3.45Å
295G94.4Very high94.8Very high0 Ų019.7 Ų19.70%09%0.09CC..  trans106.8-168.5-172.900000113R286 E290 I291R286-G295 PolarHBondContact NE-O 3.26Å; R286-G295 PolarHBondContact NH2-O 2.78Å; R286-G295 VanDerWaalsContact NH2-O 3.13Å; E290-G295 PolarHBondContact O-N 3.47Å; E290-G295 VanDerWaalsContact O-N 3.1Å; I291-G295 WeakPolarHBondContact O-CA 2.93Å; I291-G295 PolarHBondContact O-N 3.01Å
296H97.1Very high94.9Very high1 Ų124 Ų241%0.00511%0.11CC..SBendtrans-117.9-128.8178.7-151.5-66.2000109.1D88 F103 T283 D298 A299 L300D88-H296 IonicContact OD2-CE1 2.98Å; D88-H296 PolarHBondContact OD2-CE1 3.49Å; D88-H296 IonicContact OD2-ND1 3.45Å; D88-H296 PolarHBondContact OD2-ND1 3.04Å; F103-H296 AromaticContact CE2-NE2 3.53Å; F103-H296 AromaticContact CZ-CD2 3.93Å; F103-H296 AromaticContact CZ-NE2 3.29Å; F103-H296 VanDerWaalsContact CZ-NE2 3.29Å; F103-H296 WeakPolarHBondContact CZ-NE2 3.26Å; T283-H296 WeakPolarHBondContact CG2-CE1 3.41Å; T283-H296 VanDerWaalsContact CG2-ND1 3.26Å; T283-H296 WeakPolarHBondContact CG2-ND1 3.39Å; T283-H296 PolarHBondContact OG1-CE1 2.99Å; H296-D298 PolarHBondContact N-OD1 3.21Å; H296-D298 PolarHBondContact O-N 3.48Å; H296-A299 VanDerWaalsContact O-CB 3.25Å; H296-A299 WeakPolarHBondContact O-CB 3.33Å; H296-A299 PolarHBondContact O-N 3.09Å; H296-L300 WeakPolarHBondContact O-CD1 3.29Å; H296-L300 PolarHBondContact O-N 3.22Å
297I98.3Very high95.1Very high1 Ų129 Ų291%0.00513%0.134CC..Hα-helixtrans-56.1-31.3174.3-64.5-57.3000112.3F86 D88 L112 L281 T283 A299 L300 I301 A319F86-I297 HydrophobicContact CB-CB 4.27Å; F86-I297 HydrophobicContact CB-CG2 3.86Å; F86-I297 HydrophobicContact CG-CG2 4.39Å; D88-I297 HydrophobicContact CB-CD1 4.13Å; D88-I297 HydrophobicContact CB-CG1 3.85Å; D88-I297 VanDerWaalsContact OD2-CD1 3.25Å; D88-I297 WeakPolarHBondContact OD2-CD1 3.42Å; L112-I297 HydrophobicContact CD1-CB 4.39Å; L112-I297 HydrophobicContact CD1-CG1 3.99Å; L281-I297 HydrophobicContact CB-CD1 3.98Å; L281-I297 HydrophobicContact CD1-CG2 4.48Å; T283-I297 HydrophobicContact CG2-CD1 4.3Å; I297-A299 PolarHBondContact O-N 2.91Å; I297-L300 HydrophobicContact CD1-CD2 4.17Å; I297-L300 PolarHBondContact O-N 2.7Å; I297-L300 VanDerWaalsContact O-N 3.12Å; I297-I301 HydrophobicContact CG2-CD1 3.94Å; I297-I301 HydrophobicContact CG2-CG1 4.17Å; I297-I301 WeakPolarHBondContact O-CG1 3.16Å; I297-I301 PolarHBondContact O-N 3.25Å; I297-A319 HydrophobicContact CG2-CB 3.98Å
298D98.1Very high95.5Very high13 Ų1331.3 Ų31.37%0.0714%0.144CC..Hα-helixtrans-57.1-35.8173.564.9-69.5000112.4F86 H296 R302 V352F86-D298 HydrophobicContact CD2-CB 4.24Å; F86-D298 HydrophobicContact CE2-CB 3.88Å; H296-D298 PolarHBondContact N-OD1 3.21Å; H296-D298 PolarHBondContact O-N 3.48Å; D298-R302 WeakPolarHBondContact O-CB 3.37Å; D298-R302 PolarHBondContact O-N 3.36Å; D298-R302 IonicContact OD2-NH2 3.24Å; D298-V352 HydrophobicContact CB-CG1 3.99Å
299A97.3Very high95.9Very high4 Ų437.8 Ų37.83%0.03318%0.179CC..Hα-helixtrans-70.1-40.6176.700000112.3E294 H296 I297 R302 R303E294-A299 WeakPolarHBondContact O-CB 3.04Å; H296-A299 VanDerWaalsContact O-CB 3.25Å; H296-A299 WeakPolarHBondContact O-CB 3.33Å; H296-A299 PolarHBondContact O-N 3.09Å; I297-A299 PolarHBondContact O-N 2.91Å; A299-R302 VanDerWaalsContact CA-NH2 3.32Å; A299-R302 PolarHBondContact O-N 2.54Å; A299-R303 WeakPolarHBondContact O-CB 3.35Å; A299-R303 VanDerWaalsContact O-CG 3.3Å; A299-R303 WeakPolarHBondContact O-CG 3.23Å; A299-R303 PolarHBondContact O-N 2.96Å
300L98.1Very high96.2Very high1 Ų135.6 Ų35.61%0.00517%0.171CC..Hα-helixtrans-65.9-43.8177.5-74.866.9000110.4E257 L281 C282 T283 H296 I297 R302 R303 L304E257-L300 HydrophobicContact CB-CD1 3.88Å; E257-L300 HydrophobicContact CB-CD2 3.74Å; E257-L300 HydrophobicContact CB-CG 3.68Å; E257-L300 HydrophobicContact CG-CD1 4.38Å; E257-L300 HydrophobicContact CG-CG 4.39Å; L281-L300 HydrophobicContact CB-CD2 4.09Å; L281-L300 HydrophobicContact CD1-CB 3.9Å; L281-L300 HydrophobicContact CD2-CD2 4.36Å; C282-L300 WeakPolarHBondContact O-CD2 3.1Å; T283-L300 HydrophobicContact CG2-CD1 4.44Å; H296-L300 WeakPolarHBondContact O-CD1 3.29Å; H296-L300 PolarHBondContact O-N 3.22Å; I297-L300 HydrophobicContact CD1-CD2 4.17Å; I297-L300 PolarHBondContact O-N 2.7Å; I297-L300 VanDerWaalsContact O-N 3.12Å; L300-R302 PolarHBondContact O-N 2.7Å; L300-R303 PolarHBondContact O-N 2.76Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.48Å
301I98.6Very high96.5Very high0 Ų038.4 Ų38.40%019%0.19CC..Hα-helixtrans-57.6-50.2175.1-64.1164.8000110.3F86 L281 I297 R303 L304 I305 A315 Y316 A319 V352F86-I301 HydrophobicContact CD1-CD1 3.57Å; F86-I301 HydrophobicContact CD2-CD1 4.11Å; F86-I301 HydrophobicContact CE1-CD1 3.65Å; F86-I301 HydrophobicContact CE2-CD1 4.16Å; F86-I301 HydrophobicContact CG-CD1 3.83Å; F86-I301 HydrophobicContact CZ-CD1 3.95Å; L281-I301 HydrophobicContact CD1-CG1 4.17Å; I297-I301 HydrophobicContact CG2-CD1 3.94Å; I297-I301 HydrophobicContact CG2-CG1 4.17Å; I297-I301 WeakPolarHBondContact O-CG1 3.16Å; I297-I301 PolarHBondContact O-N 3.25Å; I301-R303 VanDerWaalsContact C-N 3.3Å; I301-R303 PolarHBondContact O-N 3.47Å; I301-L304 WeakPolarHBondContact O-CB 3.25Å; I301-L304 PolarHBondContact O-N 3.48Å; I301-I305 HydrophobicContact CG2-CD1 3.75Å; I301-I305 WeakPolarHBondContact O-CG1 3.29Å; I301-I305 PolarHBondContact O-N 3.11Å; I301-A315 HydrophobicContact CG2-CB 4.34Å; I301-Y316 HydrophobicContact CD1-CD1 4.13Å; I301-Y316 HydrophobicContact CD1-CE1 4.08Å; I301-Y316 HydrophobicContact CG2-CD1 4.14Å; I301-Y316 HydrophobicContact CG2-CE1 3.72Å; I301-Y316 HydrophobicContact CG2-CE2 4.29Å; I301-A319 HydrophobicContact CD1-CB 3.56Å; I301-A319 HydrophobicContact CG1-CB 3.54Å; I301-V352 HydrophobicContact CB-CG2 4.1Å; I301-V352 HydrophobicContact CG2-CG2 3.71Å
302R98.1Very high96.7Very high70 Ų7039.9 Ų39.926%0.26420%0.198SC..Hα-helixtrans-56.8-45178.9176.917119.492.7-1.9111.3E294 D298 A299 L300 I305 E306 K351 V352E294-R302 PolarHBondContact O-NH2 3.45Å; D298-R302 WeakPolarHBondContact O-CB 3.37Å; D298-R302 PolarHBondContact O-N 3.36Å; D298-R302 IonicContact OD2-NH2 3.24Å; A299-R302 VanDerWaalsContact CA-NH2 3.32Å; A299-R302 PolarHBondContact O-N 2.54Å; L300-R302 PolarHBondContact O-N 2.7Å; R302-I305 PolarHBondContact O-N 3.18Å; R302-E306 HydrophobicContact CG-CG 4.39Å; R302-E306 WeakPolarHBondContact CG-OE2 3.21Å; R302-E306 WeakPolarHBondContact O-CB 3.5Å; R302-E306 WeakPolarHBondContact O-CG 3.49Å; R302-E306 PolarHBondContact O-N 2.94Å; R302-K351 WeakPolarHBondContact CD-O 3.39Å; R302-V352 HydrophobicContact CB-CB 4.46Å; R302-V352 HydrophobicContact CB-CG2 3.71Å
303R97.8Very high97.1Very high28 Ų2838.8 Ų38.811%0.10619%0.189CC..Hα-helixtrans-66.6-40.8177.9-72.5177.160.7-168.8-10.8112.9E257 L264 N265 A299 L300 I301 I305 Q307 H308E257-R303 VanDerWaalsContact CG-NH1 3.34Å; E257-R303 IonicContact OE1-CZ 3.76Å; E257-R303 VanDerWaalsContact OE1-CZ 3.25Å; E257-R303 IonicContact OE1-NH1 3.61Å; E257-R303 PolarHBondContact OE1-NH1 3.17Å; E257-R303 IonicContact OE1-NH2 2.98Å; E257-R303 PolarHBondContact OE1-NH2 3.06Å; E257-R303 IonicContact OE2-NH2 3.93Å; L264-R303 HydrophobicContact CD2-CB 3.57Å; L264-R303 HydrophobicContact CD2-CG 4.48Å; N265-R303 PolarHBondContact OD1-NH2 3Å; N265-R303 VanDerWaalsContact OD1-NH2 3.11Å; A299-R303 WeakPolarHBondContact O-CB 3.35Å; A299-R303 VanDerWaalsContact O-CG 3.3Å; A299-R303 WeakPolarHBondContact O-CG 3.23Å; A299-R303 PolarHBondContact O-N 2.96Å; L300-R303 PolarHBondContact O-N 2.76Å; I301-R303 VanDerWaalsContact C-N 3.3Å; I301-R303 PolarHBondContact O-N 3.47Å; R303-I305 VanDerWaalsContact C-N 3.26Å; R303-I305 PolarHBondContact O-N 3.19Å; R303-Q307 VanDerWaalsContact NE-OE1 3.14Å; R303-Q307 WeakPolarHBondContact O-CA 3.42Å; R303-Q307 VanDerWaalsContact O-CB 3.25Å; R303-Q307 WeakPolarHBondContact O-CB 3.29Å; R303-Q307 PolarHBondContact O-N 3.29Å; R303-H308 PolarHBondContact O-N 3.48Å
304L98.4Very high97.5Very high0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-56.6-43.9174-75.3-171.8000111.5L264 A268 I271 L281 L300 I301 H308 N309 V310 A315 V318L264-L304 HydrophobicContact CD1-CD2 3.64Å; L264-L304 HydrophobicContact CD1-CG 4.11Å; L264-L304 HydrophobicContact CG-CD2 4.22Å; A268-L304 HydrophobicContact CB-CD2 3.54Å; I271-L304 HydrophobicContact CD1-CD1 3.87Å; I271-L304 HydrophobicContact CD1-CD2 3.77Å; I271-L304 HydrophobicContact CD1-CG 4.5Å; L281-L304 HydrophobicContact CD1-CD1 4.02Å; L281-L304 HydrophobicContact CD2-CD1 4.09Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.48Å; I301-L304 WeakPolarHBondContact O-CB 3.25Å; I301-L304 PolarHBondContact O-N 3.48Å; L304-H308 CarbonylContact O-C 3.56Å; L304-H308 WeakPolarHBondContact O-CB 3.39Å; L304-H308 PolarHBondContact O-N 2.66Å; L304-N309 PolarHBondContact O-N 2.63Å; L304-N309 VanDerWaalsContact O-N 3.14Å; L304-V310 HydrophobicContact CB-CB 4.08Å; L304-V310 HydrophobicContact CB-CG2 4.09Å; L304-V310 HydrophobicContact CD2-CG2 4.14Å; L304-V310 WeakPolarHBondContact O-CB 3.31Å; L304-V310 PolarHBondContact O-N 3.49Å; L304-A315 HydrophobicContact CB-CB 4.24Å; L304-A315 HydrophobicContact CD1-CB 4.33Å; L304-V318 HydrophobicContact CD1-CG2 3.85Å
305I98.3Very high97.8Very high11 Ų1131 Ų316%0.05615%0.153CC..Hα-helixtrans-73.7-54.2-177.8-63165.1000111.1I301 R302 R303 N309 L312 A315 Y316 R350I301-I305 HydrophobicContact CG2-CD1 3.75Å; I301-I305 WeakPolarHBondContact O-CG1 3.29Å; I301-I305 PolarHBondContact O-N 3.11Å; R302-I305 PolarHBondContact O-N 3.18Å; R303-I305 VanDerWaalsContact C-N 3.26Å; R303-I305 PolarHBondContact O-N 3.19Å; I305-N309 WeakPolarHBondContact O-CA 3.33Å; I305-N309 PolarHBondContact O-N 2.96Å; I305-L312 HydrophobicContact CD1-CD2 3.99Å; I305-A315 HydrophobicContact CD1-CB 4.11Å; I305-A315 HydrophobicContact CG1-CB 3.68Å; I305-Y316 HydrophobicContact CD1-CE2 4.06Å; I305-R350 HydrophobicContact CG2-CB 4.25Å; I305-R350 HydrophobicContact CG2-CG 4.22Å
306E97.6Very high98Very high98 Ų9831.1 Ų31.146%0.45815%0.153SC..Hα-helixtrans-82.2-34-169.1-64.3-170.7141.600113.4R302R302-E306 HydrophobicContact CG-CG 4.39Å; R302-E306 WeakPolarHBondContact CG-OE2 3.21Å; R302-E306 WeakPolarHBondContact O-CB 3.5Å; R302-E306 WeakPolarHBondContact O-CG 3.49Å; R302-E306 PolarHBondContact O-N 2.94Å
307Q97.8Very high98Very high111 Ų11132.1 Ų32.152%0.51916%0.157SC..THydrogen-bonded Turntrans-100.1-35.8-174.8-55.8177.6-12.500112.1R303R303-Q307 VanDerWaalsContact NE-OE1 3.14Å; R303-Q307 WeakPolarHBondContact O-CA 3.42Å; R303-Q307 VanDerWaalsContact O-CB 3.25Å; R303-Q307 WeakPolarHBondContact O-CB 3.29Å; R303-Q307 PolarHBondContact O-N 3.29Å
308H97.8Very high98.1Very high50 Ų5032 Ų3223%0.23116%0.157CC..THydrogen-bonded Turntrans-106.7-0.4-175.8-66.5-75.4000114.3N265 A268 R303 L304 V310N265-H308 PolarHBondContact OD1-NE2 3.12Å; A268-H308 HydrophobicContact CB-CB 3.98Å; R303-H308 PolarHBondContact O-N 3.48Å; L304-H308 CarbonylContact O-C 3.56Å; L304-H308 WeakPolarHBondContact O-CB 3.39Å; L304-H308 PolarHBondContact O-N 2.66Å; H308-V310 HydrophobicContact CB-CG2 4.2Å; H308-V310 PolarHBondContact O-N 2.92Å
309N97.6Very high98.1Very high135 Ų13531.4 Ų31.472%0.72215%0.153SC*.  trans56.329.8178.4-54.4-77.5000113.8L304 I305L304-N309 PolarHBondContact O-N 2.63Å; L304-N309 VanDerWaalsContact O-N 3.14Å; I305-N309 WeakPolarHBondContact O-CA 3.33Å; I305-N309 PolarHBondContact O-N 2.96Å
310V98.1Very high98.1Very high10 Ų1031.3 Ų31.36%0.06115%0.152CC..  trans-68.4131.2173.6179.20000108.7I271 L304 H308 V314 A315I271-V310 HydrophobicContact CG2-CG1 4.24Å; L304-V310 HydrophobicContact CB-CB 4.08Å; L304-V310 HydrophobicContact CB-CG2 4.09Å; L304-V310 HydrophobicContact CD2-CG2 4.14Å; L304-V310 WeakPolarHBondContact O-CB 3.31Å; L304-V310 PolarHBondContact O-N 3.49Å; H308-V310 HydrophobicContact CB-CG2 4.2Å; H308-V310 PolarHBondContact O-N 2.92Å; V310-V314 HydrophobicContact CG1-CB 3.83Å; V310-V314 HydrophobicContact CG1-CG1 3.75Å; V310-A315 HydrophobicContact CG1-CB 4.06Å
311P97.3Very high98.2Very high59 Ų5933.6 Ų33.638%0.38316%0.161SC..  trans-56.8143.5177.4-24.533.3000112.1H313 V314 A315P311-H313 VanDerWaalsContact CB-CE1 3.48Å; P311-H313 WeakPolarHBondContact CB-CE1 3.17Å; P311-H313 PolarHBondContact O-N 2.95Å; P311-V314 HydrophobicContact CB-CB 4.37Å; P311-V314 HydrophobicContact CB-CG2 4.03Å; P311-V314 HydrophobicContact CG-CG2 4.22Å; P311-V314 WeakPolarHBondContact O-CA 3.34Å; P311-V314 WeakPolarHBondContact O-CB 3.45Å; P311-V314 PolarHBondContact O-N 2.73Å; P311-A315 PolarHBondContact O-N 3.06Å
312L97.6Very high98.1Very high33 Ų3333.6 Ų33.617%0.17316%0.161CC..Hα-helixtrans-48.8-55.2-176.8-78.9140.5000112.3L40 I305 V314 A315 Y316 A349 R350L40-L312 HydrophobicContact CD1-CB 4.42Å; L40-L312 HydrophobicContact CD2-CB 4.37Å; I305-L312 HydrophobicContact CD1-CD2 3.99Å; L312-V314 PolarHBondContact O-N 3.18Å; L312-A315 PolarHBondContact O-N 3.39Å; L312-Y316 HydrophobicContact CD2-CE2 3.94Å; L312-Y316 WeakPolarHBondContact O-CD2 3.49Å; L312-Y316 PolarHBondContact O-N 2.8Å; L312-A349 HydrophobicContact CD2-CB 3.87Å; L312-A349 VanDerWaalsContact CD2-O 3.26Å; L312-A349 WeakPolarHBondContact CD2-O 3.02Å; L312-R350 HydrophobicContact CD1-CG 4.22Å; L312-R350 HydrophobicContact CD2-CG 4.05Å; L312-R350 HydrophobicContact CG-CG 4.48Å
313H97.9Very high98.1Very high27 Ų2730.2 Ų30.213%0.12515%0.148CC..Hα-helixtrans-60.9-28.8-179.259.7-75.6000112.9L42 E273 P311 R317L42-H313 HydrophobicContact CD2-CB 4.4Å; E273-H313 IonicContact OE1-CE1 3.17Å; E273-H313 PolarHBondContact OE1-CE1 2.78Å; E273-H313 IonicContact OE1-NE2 3.86Å; E273-H313 PolarHBondContact OE1-NE2 2.92Å; P311-H313 VanDerWaalsContact CB-CE1 3.48Å; P311-H313 WeakPolarHBondContact CB-CE1 3.17Å; P311-H313 PolarHBondContact O-N 2.95Å; H313-R317 WeakPolarHBondContact O-CB 3.35Å; H313-R317 PolarHBondContact O-N 3.38Å; H313-R317 VanDerWaalsContact O-N 3.12Å
314V98.4Very high98.1Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-76.4-45.2176.4-1790000110.9I271 E273 V310 P311 L312 R317 V318I271-V314 HydrophobicContact CG2-CG1 3.55Å; E273-V314 HydrophobicContact CB-CG2 4.45Å; E273-V314 HydrophobicContact CG-CG2 3.59Å; V310-V314 HydrophobicContact CG1-CB 3.83Å; V310-V314 HydrophobicContact CG1-CG1 3.75Å; P311-V314 HydrophobicContact CB-CB 4.37Å; P311-V314 HydrophobicContact CB-CG2 4.03Å; P311-V314 HydrophobicContact CG-CG2 4.22Å; P311-V314 WeakPolarHBondContact O-CA 3.34Å; P311-V314 WeakPolarHBondContact O-CB 3.45Å; P311-V314 PolarHBondContact O-N 2.73Å; L312-V314 PolarHBondContact O-N 3.18Å; V314-R317 WeakPolarHBondContact O-CB 3.47Å; V314-R317 PolarHBondContact O-N 3.24Å; V314-V318 PolarHBondContact O-N 2.76Å
315A98.6Very high98Very high0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-61.1-45.9178.800000111.7I301 L304 I305 V310 P311 L312 V318 A319I301-A315 HydrophobicContact CG2-CB 4.34Å; L304-A315 HydrophobicContact CB-CB 4.24Å; L304-A315 HydrophobicContact CD1-CB 4.33Å; I305-A315 HydrophobicContact CD1-CB 4.11Å; I305-A315 HydrophobicContact CG1-CB 3.68Å; V310-A315 HydrophobicContact CG1-CB 4.06Å; P311-A315 PolarHBondContact O-N 3.06Å; L312-A315 PolarHBondContact O-N 3.39Å; A315-V318 WeakPolarHBondContact O-CG2 3.47Å; A315-A319 WeakPolarHBondContact O-CB 3.31Å; A315-A319 PolarHBondContact O-N 3.39Å
316Y98.7Very high98Very high1 Ų135.3 Ų35.30%0.00417%0.168CC..Hα-helixtrans-70.7-29.6175.9-72.3-73.1000112.8L40 V83 F86 I301 I305 L312 A319 S320 L346 A349L40-Y316 HydrophobicContact CD2-CD2 3.3Å; L40-Y316 HydrophobicContact CD2-CE2 4.04Å; L40-Y316 HydrophobicContact CD2-CG 3.94Å; V83-Y316 HydrophobicContact CB-CD1 3.95Å; V83-Y316 HydrophobicContact CB-CE1 4.28Å; V83-Y316 HydrophobicContact CB-CG 4.29Å; V83-Y316 HydrophobicContact CG1-CD1 3.94Å; V83-Y316 HydrophobicContact CG1-CD2 4.1Å; V83-Y316 HydrophobicContact CG1-CE1 4.07Å; V83-Y316 HydrophobicContact CG1-CE2 4.23Å; V83-Y316 HydrophobicContact CG1-CG 3.98Å; V83-Y316 HydrophobicContact CG2-CD1 3.89Å; V83-Y316 HydrophobicContact CG2-CE1 3.85Å; F86-Y316 AromaticContact CE1-CD1 3.83Å; F86-Y316 HydrophobicContact CE1-CD1 3.83Å; F86-Y316 AromaticContact CE1-CE1 3.64Å; F86-Y316 HydrophobicContact CE1-CE1 3.64Å; F86-Y316 HydrophobicContact CZ-CE1 4.03Å; I301-Y316 HydrophobicContact CD1-CD1 4.13Å; I301-Y316 HydrophobicContact CD1-CE1 4.08Å; I301-Y316 HydrophobicContact CG2-CD1 4.14Å; I301-Y316 HydrophobicContact CG2-CE1 3.72Å; I301-Y316 HydrophobicContact CG2-CE2 4.29Å; I305-Y316 HydrophobicContact CD1-CE2 4.06Å; L312-Y316 HydrophobicContact CD2-CE2 3.94Å; L312-Y316 WeakPolarHBondContact O-CD2 3.49Å; L312-Y316 PolarHBondContact O-N 2.8Å; Y316-A319 PolarHBondContact O-N 2.75Å; Y316-S320 WeakPolarHBondContact O-CB 3.23Å; Y316-S320 PolarHBondContact O-N 3Å; Y316-S320 VanDerWaalsContact O-N 3.17Å; Y316-S320 PolarHBondContact O-OG 3.37Å; Y316-L346 HydrophobicContact CE1-CD1 3.77Å; Y316-L346 HydrophobicContact CE2-CD1 4.46Å; Y316-L346 WeakPolarHBondContact OH-CD1 3.18Å; Y316-A349 PolarHBondContact OH-O 3.19Å
317R98.5Very high97.9Very high22 Ų2230.7 Ų30.78%0.08315%0.147CC..Hα-helixtrans-64.5-48.7174.6-176.9-167.2-64.3168.4-5112L42 I43 E273 S276 H313 V314 A319 S320 W321 S322L42-R317 PolarHBondContact O-NE 2.99Å; L42-R317 PolarHBondContact O-NH2 2.65Å; I43-R317 PolarHBondContact O-NH2 3.26Å; E273-R317 PolarHBondContact O-NH1 3.13Å; S276-R317 WeakPolarHBondContact OG-CD 3.37Å; S276-R317 PolarHBondContact OG-NH1 3.15Å; H313-R317 WeakPolarHBondContact O-CB 3.35Å; H313-R317 PolarHBondContact O-N 3.38Å; H313-R317 VanDerWaalsContact O-N 3.12Å; V314-R317 WeakPolarHBondContact O-CB 3.47Å; V314-R317 PolarHBondContact O-N 3.24Å; R317-A319 PolarHBondContact O-N 3.47Å; R317-S320 CarbonylContact O-C 3.5Å; R317-S320 PolarHBondContact O-N 3.32Å; R317-W321 HydrophobicContact CG-CB 4.17Å; R317-W321 HydrophobicContact CG-CD2 4.43Å; R317-W321 HydrophobicContact CG-CE3 3.64Å; R317-W321 HydrophobicContact CG-CZ3 4.42Å; R317-W321 PolarHBondContact O-N 2.98Å; R317-W321 VanDerWaalsContact O-N 3.1Å; R317-S322 PolarHBondContact O-N 2.99Å; R317-S322 PolarHBondContact O-OG 3.32Å
318V98.6Very high97.7Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-66.9-23.8178.2-59.50000112.5I271 C279 M280 L281 L304 V314 A315 T323I271-V318 HydrophobicContact CG2-CG1 4.07Å; C279-V318 HydrophobicContact CB-CG1 3.92Å; C279-V318 WeakPolarHBondContact O-CB 3.46Å; M280-V318 WeakPolarHBondContact CA-O 3.25Å; L281-V318 HydrophobicContact CD1-CG2 4.21Å; L281-V318 HydrophobicContact CD2-CG2 4.45Å; L281-V318 HydrophobicContact CG-CG2 4.05Å; L281-V318 PolarHBondContact N-O 3.12Å; L304-V318 HydrophobicContact CD1-CG2 3.85Å; V314-V318 PolarHBondContact O-N 2.76Å; A315-V318 WeakPolarHBondContact O-CG2 3.47Å; V318-T323 PolarHBondContact O-OG1 2.97Å
319A98.7Very high97.6Very high0 Ų023.4 Ų23.40%012%0.115CC..THydrogen-bonded Turntrans-90.71.3177.200000114.3I87 L281 I297 I301 A315 Y316 R317I87-A319 PolarHBondContact N-O 3.35Å; L281-A319 HydrophobicContact CD1-CB 3.87Å; I297-A319 HydrophobicContact CG2-CB 3.98Å; I301-A319 HydrophobicContact CD1-CB 3.56Å; I301-A319 HydrophobicContact CG1-CB 3.54Å; A315-A319 WeakPolarHBondContact O-CB 3.31Å; A315-A319 PolarHBondContact O-N 3.39Å; Y316-A319 PolarHBondContact O-N 2.75Å; R317-A319 PolarHBondContact O-N 3.47Å
320S98.8Very high97.5Very high1 Ų119.2 Ų19.21%0.0079%0.093CC..THydrogen-bonded Turntrans-149.2-81.1-177.765.50000112.6G85 I87 Y316 R317 S322 T323 A324G85-S320 WeakPolarHBondContact O-CB 3.43Å; I87-S320 WeakPolarHBondContact CD1-O 3.23Å; Y316-S320 WeakPolarHBondContact O-CB 3.23Å; Y316-S320 PolarHBondContact O-N 3Å; Y316-S320 VanDerWaalsContact O-N 3.17Å; Y316-S320 PolarHBondContact O-OG 3.37Å; R317-S320 CarbonylContact O-C 3.5Å; R317-S320 PolarHBondContact O-N 3.32Å; S320-S322 PolarHBondContact O-N 2.9Å; S320-T323 PolarHBondContact O-N 2.55Å; S320-A324 WeakPolarHBondContact O-CB 3.16Å; S320-A324 PolarHBondContact O-N 3.01Å
321W98.2Very high97.3Very high49 Ų4919 Ų1919%0.1869%0.091CC..Hα-helixtrans-58.5-43.7-172.7-178.765.8000114.3P277 R317 T323 A324 R325 G333 L334P277-W321 HydrophobicContact CB-CH2 4.34Å; P277-W321 HydrophobicContact CB-CZ3 3.76Å; P277-W321 HydrophobicContact CG-CZ3 3.91Å; R317-W321 HydrophobicContact CG-CB 4.17Å; R317-W321 HydrophobicContact CG-CD2 4.43Å; R317-W321 HydrophobicContact CG-CE3 3.64Å; R317-W321 HydrophobicContact CG-CZ3 4.42Å; R317-W321 PolarHBondContact O-N 2.98Å; R317-W321 VanDerWaalsContact O-N 3.1Å; W321-T323 VanDerWaalsContact C-N 3.35Å; W321-A324 PolarHBondContact O-N 2.96Å; W321-R325 VanDerWaalsContact O-CB 3.24Å; W321-R325 WeakPolarHBondContact O-CB 3.49Å; W321-R325 PolarHBondContact O-N 3.3Å; W321-G333 WeakPolarHBondContact CA-O 3.11Å; W321-G333 VanDerWaalsContact CB-O 3.27Å; W321-G333 WeakPolarHBondContact CB-O 3.46Å; W321-G333 PolarHBondContact N-O 3.44Å; W321-L334 HydrophobicContact CB-CD2 4.31Å; W321-L334 HydrophobicContact CB-CG 4.38Å; W321-L334 VanDerWaalsContact CD1-CD1 3.41Å; W321-L334 HydrophobicContact CG-CD1 4.31Å; W321-L334 HydrophobicContact CG-CD2 4.18Å; W321-L334 HydrophobicContact CG-CG 4.04Å
322S98.3Very high97.3Very high0 Ų016.4 Ų16.40%07%0.074CC..Hα-helixtrans-61-47.3179.7-62.70000110.5S276 P277 C279 R317 S320 R325 H326S276-S322 WeakPolarHBondContact O-CB 3.21Å; S276-S322 PolarHBondContact O-OG 3.48Å; P277-S322 WeakPolarHBondContact CA-OG 3.42Å; C279-S322 WeakPolarHBondContact O-CB 3.38Å; R317-S322 PolarHBondContact O-N 2.99Å; R317-S322 PolarHBondContact O-OG 3.32Å; S320-S322 PolarHBondContact O-N 2.9Å; S322-R325 PolarHBondContact O-N 3.2Å; S322-H326 WeakPolarHBondContact O-CB 3.46Å; S322-H326 PolarHBondContact O-N 3.35Å
323T98.2Very high97.3Very high0 Ų015.1 Ų15.10%07%0.069CC..Hα-helixtrans-61.7-51.1176.4-46.70000111.8I87 A89 M280 V318 S320 W321 R325 H326 F327I87-T323 HydrophobicContact CB-CG2 4.05Å; I87-T323 HydrophobicContact CG2-CG2 3.43Å; I87-T323 VanDerWaalsContact CG2-CG2 3.43Å; A89-T323 HydrophobicContact CB-CG2 3.48Å; A89-T323 VanDerWaalsContact CB-CG2 3.48Å; M280-T323 HydrophobicContact SD-CG2 4.11Å; V318-T323 PolarHBondContact O-OG1 2.97Å; S320-T323 PolarHBondContact O-N 2.55Å; W321-T323 VanDerWaalsContact C-N 3.35Å; T323-R325 PolarHBondContact O-N 2.96Å; T323-H326 PolarHBondContact O-N 3.42Å; T323-H326 VanDerWaalsContact O-N 3.16Å; T323-F327 HydrophobicContact CG2-CD2 3.88Å; T323-F327 HydrophobicContact CG2-CE2 3.85Å; T323-F327 VanDerWaalsContact O-CD2 3.32Å; T323-F327 WeakPolarHBondContact O-CD2 3.19Å; T323-F327 PolarHBondContact O-N 3.36Å
324A97.7Very high97.3Very high1 Ų115.2 Ų15.21%0.0087%0.07CC..Hα-helixtrans-56.1-40.817800000112.1I87 S320 W321 G328 L329 L332I87-A324 HydrophobicContact CD1-CB 3.77Å; S320-A324 WeakPolarHBondContact O-CB 3.16Å; S320-A324 PolarHBondContact O-N 3.01Å; W321-A324 PolarHBondContact O-N 2.96Å; A324-G328 CarbonylContact O-C 3.51Å; A324-G328 PolarHBondContact O-N 3.16Å; A324-L329 HydrophobicContact CB-CB 4.49Å; A324-L329 CarbonylContact O-C 3.51Å; A324-L329 WeakPolarHBondContact O-CA 3.41Å; A324-L329 PolarHBondContact O-N 2.79Å; A324-L332 HydrophobicContact CB-CB 4.01Å
325R96.1Very high97.3Very high112 Ų11215.9 Ų15.942%0.4237%0.074SC..Hα-helixtrans-70.1-40.2179.4-176.6169-179.678-0.5112.4W321 S322 T323 G328W321-R325 VanDerWaalsContact O-CB 3.24Å; W321-R325 WeakPolarHBondContact O-CB 3.49Å; W321-R325 PolarHBondContact O-N 3.3Å; S322-R325 PolarHBondContact O-N 3.2Å; T323-R325 PolarHBondContact O-N 2.96Å; R325-G328 PolarHBondContact O-N 2.68Å
326H97Very high97.2Very high33 Ų3317.2 Ų17.215%0.1538%0.084CC..Hα-helixtrans-58.6-51.2179-176.780.2000111N233 S252 M280 S322 T323 G328N233-H326 PolarHBondContact ND2-NE2 3.11Å; S252-H326 PolarHBondContact OG-CE1 2.88Å; S252-H326 PolarHBondContact OG-ND1 3.38Å; M280-H326 HydrophobicContact CE-CB 4.08Å; M280-H326 HydrophobicContact SD-CB 3.57Å; M280-H326 VanDerWaalsContact SD-CB 3.57Å; S322-H326 WeakPolarHBondContact O-CB 3.46Å; S322-H326 PolarHBondContact O-N 3.35Å; T323-H326 PolarHBondContact O-N 3.42Å; T323-H326 VanDerWaalsContact O-N 3.16Å; H326-G328 PolarHBondContact O-N 3.49Å
327F96.1Very high97.1Very high0 Ų020.9 Ų20.90%011%0.109CC..THydrogen-bonded Turntrans-80.97.1178.5-64.4-76.2000114.2I5 A89 I116 T210 D212 M254 M280 T323 L329I5-F327 WeakPolarHBondContact CG2-O 3.32Å; A89-F327 HydrophobicContact CB-CE2 4.17Å; A89-F327 WeakPolarHBondContact O-CE2 3.28Å; A89-F327 VanDerWaalsContact O-CZ 3.26Å; A89-F327 WeakPolarHBondContact O-CZ 3.25Å; I116-F327 HydrophobicContact CB-CE2 4.39Å; I116-F327 HydrophobicContact CB-CZ 4.33Å; I116-F327 HydrophobicContact CD1-CD2 4.23Å; I116-F327 HydrophobicContact CD1-CG 4.25Å; I116-F327 HydrophobicContact CG1-CD2 3.8Å; I116-F327 HydrophobicContact CG1-CE2 3.8Å; I116-F327 HydrophobicContact CG1-CG 4.2Å; I116-F327 HydrophobicContact CG1-CZ 4.2Å; I116-F327 HydrophobicContact CG2-CD1 4.16Å; I116-F327 HydrophobicContact CG2-CE1 3.79Å; I116-F327 HydrophobicContact CG2-CE2 4.33Å; I116-F327 HydrophobicContact CG2-CZ 3.85Å; T210-F327 HydrophobicContact CG2-CD1 3.72Å; T210-F327 HydrophobicContact CG2-CE1 3.75Å; D212-F327 WeakPolarHBondContact OD1-CE1 3.47Å; M254-F327 HydrophobicContact CE-CE1 4.47Å; M254-F327 HydrophobicContact CE-CE2 4.11Å; M254-F327 HydrophobicContact CE-CZ 3.5Å; M280-F327 HydrophobicContact SD-CE2 4.11Å; T323-F327 HydrophobicContact CG2-CD2 3.88Å; T323-F327 HydrophobicContact CG2-CE2 3.85Å; T323-F327 VanDerWaalsContact O-CD2 3.32Å; T323-F327 WeakPolarHBondContact O-CD2 3.19Å; T323-F327 PolarHBondContact O-N 3.36Å; F327-L329 HydrophobicContact CB-CD1 4.17Å; F327-L329 HydrophobicContact CB-CG 4.17Å; F327-L329 PolarHBondContact O-N 3.42Å
328G94Very high96.9Very high9 Ų921.3 Ų21.39%0.09312%0.12CC..THydrogen-bonded Turntrans63.519.6-179.700000115.2N6 A324 R325 H326 N330N6-G328 PolarHBondContact OD1-O 3.21Å; A324-G328 CarbonylContact O-C 3.51Å; A324-G328 PolarHBondContact O-N 3.16Å; R325-G328 PolarHBondContact O-N 2.68Å; H326-G328 PolarHBondContact O-N 3.49Å; G328-N330 PolarHBondContact O-N 2.89Å; G328-N330 PolarHBondContact O-ND2 2.99Å; G328-N330 VanDerWaalsContact O-ND2 3.1Å
329L95.9Very high96.8Very high0 Ų023.8 Ų23.80%013%0.13CC..  trans-79.255.6171.9-59.2171.8000110.5F9 I116 Y146 T181 A324 F327 H331 L332F9-L329 HydrophobicContact CB-CD2 3.99Å; F9-L329 HydrophobicContact CD1-CD2 4.1Å; F9-L329 HydrophobicContact CD2-CD2 3.71Å; F9-L329 HydrophobicContact CE2-CD2 4.32Å; F9-L329 HydrophobicContact CG-CD2 3.62Å; I116-L329 HydrophobicContact CD1-CD1 3.78Å; Y146-L329 HydrophobicContact CD1-CD2 4.35Å; Y146-L329 HydrophobicContact CD2-CD1 3.58Å; Y146-L329 HydrophobicContact CD2-CD2 4.28Å; Y146-L329 HydrophobicContact CE1-CD2 3.94Å; Y146-L329 HydrophobicContact CE2-CD1 3.53Å; Y146-L329 HydrophobicContact CE2-CD2 3.84Å; Y146-L329 HydrophobicContact CE2-CG 4.31Å; Y146-L329 HydrophobicContact CG-CD1 4.3Å; T181-L329 HydrophobicContact CG2-CD1 4.48Å; T181-L329 HydrophobicContact CG2-CD2 4.05Å; T181-L329 HydrophobicContact CG2-CG 4.48Å; A324-L329 HydrophobicContact CB-CB 4.49Å; A324-L329 CarbonylContact O-C 3.51Å; A324-L329 WeakPolarHBondContact O-CA 3.41Å; A324-L329 PolarHBondContact O-N 2.79Å; F327-L329 HydrophobicContact CB-CD1 4.17Å; F327-L329 HydrophobicContact CB-CG 4.17Å; F327-L329 PolarHBondContact O-N 3.42Å; L329-H331 PolarHBondContact O-N 3.11Å; L329-L332 HydrophobicContact CB-CD1 4.1Å; L329-L332 HydrophobicContact CB-CG 4.37Å; L329-L332 HydrophobicContact CD1-CD1 4.21Å; L329-L332 PolarHBondContact O-N 3.45Å
330N94Very high96.8Very high47 Ų4724.3 Ų24.325%0.25113%0.133SC..THydrogen-bonded Turntrans-65.6-10.5-167.3-63.8-81.8000113.9N6 G328 L332 K339N6-N330 VanDerWaalsContact CG-ND2 3.29Å; N6-N330 PolarHBondContact ND2-ND2 3Å; N6-N330 WeakPolarHBondContact OD1-CB 3.43Å; N6-N330 PolarHBondContact OD1-N 2.92Å; N6-N330 PolarHBondContact OD1-ND2 3.43Å; G328-N330 PolarHBondContact O-N 2.89Å; G328-N330 PolarHBondContact O-ND2 2.99Å; G328-N330 VanDerWaalsContact O-ND2 3.1Å; N330-L332 VanDerWaalsContact C-N 3.3Å; N330-K339 PolarHBondContact O-NZ 3Å
331H95.2Very high96.7Very high5 Ų524.2 Ų24.22%0.02313%0.133CC..THydrogen-bonded Turntrans-78.7-11.4172.759.8-62.8000114H10 Y146 L329 K339 Q340H10-H331 HydrophobicContact CB-CB 4Å; H10-H331 WeakPolarHBondContact CD2-CB 3.26Å; H10-H331 AromaticContact CD2-CD2 3.76Å; H10-H331 AromaticContact CD2-CG 3.51Å; H10-H331 VanDerWaalsContact CG-CB 3.49Å; H10-H331 AromaticContact CG-CG 3.85Å; Y146-H331 PolarHBondContact OH-NE2 2.84Å; L329-H331 PolarHBondContact O-N 3.11Å; H331-K339 WeakPolarHBondContact O-CA 3.45Å; H331-K339 WeakPolarHBondContact O-CB 3.19Å; H331-Q340 PolarHBondContact O-N 3.33Å
332L97.6Very high96.8Very high4 Ų422.3 Ų22.32%0.02113%0.126CC..SBendtrans-105.7174.5-179.8-54.8-178.1000112.1I87 T114 Y146 A324 L329 N330 L334 Q340 D342I87-L332 HydrophobicContact CD1-CB 4.34Å; T114-L332 HydrophobicContact CG2-CD1 4.07Å; Y146-L332 HydrophobicContact CE2-CD1 3.92Å; A324-L332 HydrophobicContact CB-CB 4.01Å; L329-L332 HydrophobicContact CB-CD1 4.1Å; L329-L332 HydrophobicContact CB-CG 4.37Å; L329-L332 HydrophobicContact CD1-CD1 4.21Å; L329-L332 PolarHBondContact O-N 3.45Å; N330-L332 VanDerWaalsContact C-N 3.3Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.38Å; L332-Q340 HydrophobicContact CD2-CB 3.79Å; L332-Q340 HydrophobicContact CD2-CG 4.25Å; L332-D342 WeakPolarHBondContact CD2-OD2 3.22Å
333G97.8Very high96.8Very high7 Ų722.3 Ų22.37%0.07213%0.126CC..SBendtrans77.44.8167.300000116.4P84 W321P84-G333 WeakPolarHBondContact CG-O 3.45Å; W321-G333 WeakPolarHBondContact CA-O 3.11Å; W321-G333 VanDerWaalsContact CB-O 3.27Å; W321-G333 WeakPolarHBondContact CB-O 3.46Å; W321-G333 PolarHBondContact N-O 3.44Å
334L97.6Very high96.8Very high28 Ų2822.3 Ų22.315%0.14713%0.126CC..SBendtrans-143144.7173.1-76.1172.5000111.7L42 I43 W321 L332 A336 K339L42-L334 HydrophobicContact CB-CD2 3.98Å; L42-L334 HydrophobicContact CD1-CD2 4.33Å; L42-L334 HydrophobicContact CG-CD2 4.47Å; I43-L334 HydrophobicContact CD1-CD1 4.27Å; I43-L334 HydrophobicContact CD1-CD2 4.12Å; I43-L334 HydrophobicContact CG1-CD2 4.26Å; W321-L334 HydrophobicContact CB-CD2 4.31Å; W321-L334 HydrophobicContact CB-CG 4.38Å; W321-L334 VanDerWaalsContact CD1-CD1 3.41Å; W321-L334 HydrophobicContact CG-CD1 4.31Å; W321-L334 HydrophobicContact CG-CD2 4.18Å; W321-L334 HydrophobicContact CG-CG 4.04Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.38Å; L334-A336 HydrophobicContact CB-CB 4.47Å; L334-A336 PolarHBondContact O-N 3.33Å; L334-K339 HydrophobicContact CB-CG 4.36Å; L334-K339 WeakPolarHBondContact O-CB 3.41Å; L334-K339 WeakPolarHBondContact O-CG 3.41Å
335L98.2Very high96.9Very high15 Ų1522.2 Ų22.28%0.07913%0.125CC..  trans-89.683.2169.2-57.9-171.7000109.7I39 I52 I59 A82 P84 I343I39-L335 HydrophobicContact CG2-CB 3.88Å; I39-L335 HydrophobicContact CG2-CD1 3.98Å; I52-L335 HydrophobicContact CD1-CD1 4.31Å; I59-L335 HydrophobicContact CD1-CB 4.24Å; I59-L335 HydrophobicContact CD1-CD2 3.96Å; A82-L335 HydrophobicContact CB-CD1 3.62Å; P84-L335 HydrophobicContact CB-CD2 4.47Å; P84-L335 HydrophobicContact CG-CD2 4.5Å; P84-L335 HydrophobicContact CG-CG 4.1Å; L335-I343 HydrophobicContact CD1-CG2 4.16Å; L335-I343 HydrophobicContact CD2-CB 4.28Å; L335-I343 HydrophobicContact CD2-CD1 4.4Å; L335-I343 HydrophobicContact CD2-CG1 3.76Å; L335-I343 HydrophobicContact CD2-CG2 4.22Å
336A97Very high97Very high27 Ų2716.9 Ų16.922%0.22311%0.105CC..SBendtrans-145.9157.1-17600000112I59 L334 G338 K339I59-A336 WeakPolarHBondContact CB-O 3.31Å; L334-A336 HydrophobicContact CB-CB 4.47Å; L334-A336 PolarHBondContact O-N 3.33Å; A336-G338 PolarHBondContact O-N 3.32Å; A336-K339 HydrophobicContact CB-CG 3.96Å; A336-K339 VanDerWaalsContact O-CB 3.27Å; A336-K339 WeakPolarHBondContact O-CB 3.17Å; A336-K339 VanDerWaalsContact O-CG 3.28Å; A336-K339 WeakPolarHBondContact O-CG 3.43Å; A336-K339 PolarHBondContact O-N 3.49Å; A336-K339 VanDerWaalsContact O-N 3.08Å
337P96.3Very high97.1Very high79 Ų7918.9 Ų18.951%0.51312%0.123SC..THydrogen-bonded Turntrans-53.7134.5178.4-26.335000113I59 K339I59-P337 CarbonylContact O-C 3.53Å; I59-P337 WeakPolarHBondContact O-CA 3.21Å; P337-K339 VanDerWaalsContact C-N 3.27Å; P337-K339 PolarHBondContact O-N 3.14Å
338G94.7Very high97.2Very high31 Ų3121.4 Ų21.432%0.3214%0.136SC..THydrogen-bonded Turntrans79.4-3.9-178.300000115.4I59 A336I59-G338 PolarHBondContact O-N 3.09Å; A336-G338 PolarHBondContact O-N 3.32Å
339K96.4Very high97.3Very high51 Ų5121.6 Ų21.622%0.22214%0.137CC..SBendtrans-79.1156.6170.8-57.7-62.3-176.8-174.90110.7Y58 I59 N330 H331 L334 A336 P337Y58-K339 CarbonylContact C-O 3.54Å; Y58-K339 VanDerWaalsContact CA-O 3.29Å; Y58-K339 WeakPolarHBondContact CA-O 3.49Å; I59-K339 PolarHBondContact N-O 3.18Å; N330-K339 PolarHBondContact O-NZ 3Å; H331-K339 WeakPolarHBondContact O-CA 3.45Å; H331-K339 WeakPolarHBondContact O-CB 3.19Å; L334-K339 HydrophobicContact CB-CG 4.36Å; L334-K339 WeakPolarHBondContact O-CB 3.41Å; L334-K339 WeakPolarHBondContact O-CG 3.41Å; A336-K339 HydrophobicContact CB-CG 3.96Å; A336-K339 VanDerWaalsContact O-CB 3.27Å; A336-K339 WeakPolarHBondContact O-CB 3.17Å; A336-K339 VanDerWaalsContact O-CG 3.28Å; A336-K339 WeakPolarHBondContact O-CG 3.43Å; A336-K339 PolarHBondContact O-N 3.49Å; A336-K339 VanDerWaalsContact O-N 3.08Å; P337-K339 VanDerWaalsContact C-N 3.27Å; P337-K339 PolarHBondContact O-N 3.14Å
340Q97.2Very high97.4Very high11 Ų1128.8 Ų28.85%0.05116%0.164CC..BIsolated β-bridgetrans-63.8138169.1-175.7169.3-72.200109.3R57 N144 H331 L332 D342 K360R57-Q340 CarbonylContact O-C 3.54Å; R57-Q340 WeakPolarHBondContact O-CA 3.23Å; N144-Q340 PolarHBondContact ND2-NE2 3.21Å; N144-Q340 PolarHBondContact OD1-NE2 2.72Å; H331-Q340 PolarHBondContact O-N 3.33Å; L332-Q340 HydrophobicContact CD2-CB 3.79Å; L332-Q340 HydrophobicContact CD2-CG 4.25Å; Q340-D342 VanDerWaalsContact NE2-CG 3.27Å; Q340-D342 PolarHBondContact NE2-OD1 3.26Å; Q340-D342 PolarHBondContact NE2-OD2 2.77Å; Q340-D342 PolarHBondContact O-N 3.3Å; Q340-K360 HydrophobicContact CG-CG 4.17Å
341A98.1Very high97.6Very high0 Ų032 Ų320%018%0.175CC..  trans-81.166.6-179.700000111.2I54 R57 I59 I343 K360 G361I54-A341 HydrophobicContact CD1-CB 4.19Å; I54-A341 HydrophobicContact CG1-CB 4.2Å; I54-A341 HydrophobicContact CG2-CB 3.98Å; R57-A341 PolarHBondContact O-N 3.26Å; I59-A341 HydrophobicContact CG1-CB 3.87Å; A341-I343 HydrophobicContact CB-CD1 4.28Å; A341-I343 HydrophobicContact CB-CG1 4.44Å; A341-K360 PolarHBondContact O-N 3.28Å; A341-G361 PolarHBondContact O-N 3.43Å
342D98.7Very high97.7Very high8 Ų832 Ų324%0.04318%0.176CC..  trans-96.699.7166.9-67-5.9000108.4G85 T113 N144 L332 Q340 L358 V359 K360G85-D342 PolarHBondContact N-O 2.82Å; T113-D342 HydrophobicContact CG2-CB 4.29Å; N144-D342 PolarHBondContact ND2-OD2 2.93Å; L332-D342 WeakPolarHBondContact CD2-OD2 3.22Å; Q340-D342 VanDerWaalsContact NE2-CG 3.27Å; Q340-D342 PolarHBondContact NE2-OD1 3.26Å; Q340-D342 PolarHBondContact NE2-OD2 2.77Å; Q340-D342 PolarHBondContact O-N 3.3Å; D342-L358 CarbonylContact C-O 3.51Å; D342-L358 WeakPolarHBondContact CA-O 3.48Å; D342-V359 WeakPolarHBondContact OD1-CA 3.36Å; D342-K360 PolarHBondContact OD1-N 2.88Å
343I98.9Very high97.8Very high0 Ų034.9 Ų34.90%019%0.194CC..EExtended strand (participates in β ladder)trans-127.3130.9-165.6-47-175.2000109.1I34 I52 I54 I59 A82 L335 A341 L345 V357 L358I34-I343 HydrophobicContact CD1-CD1 3.94Å; I34-I343 HydrophobicContact CD1-CG2 4.49Å; I52-I343 HydrophobicContact CD1-CD1 4.28Å; I52-I343 HydrophobicContact CD1-CG2 4.29Å; I52-I343 HydrophobicContact CG2-CD1 3.89Å; I54-I343 HydrophobicContact CD1-CD1 3.87Å; I54-I343 HydrophobicContact CG1-CD1 4.48Å; I59-I343 HydrophobicContact CD1-CD1 4.42Å; I59-I343 HydrophobicContact CG1-CD1 4.5Å; A82-I343 HydrophobicContact CB-CG2 4.14Å; L335-I343 HydrophobicContact CD1-CG2 4.16Å; L335-I343 HydrophobicContact CD2-CB 4.28Å; L335-I343 HydrophobicContact CD2-CD1 4.4Å; L335-I343 HydrophobicContact CD2-CG1 3.76Å; L335-I343 HydrophobicContact CD2-CG2 4.22Å; A341-I343 HydrophobicContact CB-CD1 4.28Å; A341-I343 HydrophobicContact CB-CG1 4.44Å; I343-L345 HydrophobicContact CG2-CD2 4.04Å; I343-V357 CarbonylContact O-C 3.5Å; I343-V357 WeakPolarHBondContact O-CA 3.25Å; I343-L358 HydrophobicContact CB-CB 4.28Å; I343-L358 HydrophobicContact CB-CD1 4.24Å; I343-L358 PolarHBondContact N-O 3.42Å; I343-L358 PolarHBondContact O-N 3.03Å
344V98.9Very high97.8Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-111.4119.5170.7-177.60000108A82 V83 F86 L346 V354 V357A82-V344 WeakPolarHBondContact CA-O 3.27Å; V83-V344 HydrophobicContact CG2-CB 3.88Å; V83-V344 HydrophobicContact CG2-CG1 4.42Å; V83-V344 PolarHBondContact N-O 3.32Å; V83-V344 PolarHBondContact O-N 3.44Å; F86-V344 HydrophobicContact CE1-CG2 4.45Å; F86-V344 HydrophobicContact CZ-CB 4.47Å; F86-V344 HydrophobicContact CZ-CG1 4.05Å; F86-V344 HydrophobicContact CZ-CG2 4.5Å; V344-L346 HydrophobicContact CG1-CD2 3.62Å; V344-L346 HydrophobicContact CG1-CG 4.12Å; V344-V354 HydrophobicContact CG1-CG1 4.04Å; V344-V354 HydrophobicContact CG1-CG2 3.98Å; V344-V357 HydrophobicContact CG2-CG1 4.43Å; V344-V357 HydrophobicContact CG2-CG2 4.46Å
345L98.7Very high97.8Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-90121.3171.9-59-176.4000108.4I34 V37 A77 A80 A82 I343 Q355 Q356 L358I34-L345 HydrophobicContact CG2-CD1 4.13Å; I34-L345 HydrophobicContact CG2-CD2 4.25Å; V37-L345 HydrophobicContact CG2-CD2 3.99Å; A77-L345 HydrophobicContact CB-CD1 4.06Å; A80-L345 HydrophobicContact CB-CB 4.2Å; A82-L345 HydrophobicContact CB-CD2 3.78Å; I343-L345 HydrophobicContact CG2-CD2 4.04Å; L345-Q355 HydrophobicContact CB-CB 4.44Å; L345-Q355 WeakPolarHBondContact O-CA 3.25Å; L345-Q355 WeakPolarHBondContact O-CB 3.41Å; L345-Q355 PolarHBondContact O-N 3.31Å; L345-Q356 HydrophobicContact CB-CB 4.36Å; L345-Q356 HydrophobicContact CD1-CB 4.29Å; L345-Q356 PolarHBondContact N-O 3.13Å; L345-Q356 PolarHBondContact O-N 2.72Å; L345-L358 HydrophobicContact CD1-CD1 4.45Å; L345-L358 HydrophobicContact CG-CD1 4.45Å
346L98.8Very high97.8Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-110125.1-178.4-59.7175.6000109.9A80 T81 V83 F86 Y316 V344 D348 A349 V352 T353 V354A80-L346 CarbonylContact C-O 3.52Å; A80-L346 VanDerWaalsContact CA-O 3.27Å; A80-L346 WeakPolarHBondContact CA-O 3.27Å; A80-L346 VanDerWaalsContact CB-O 3.28Å; A80-L346 WeakPolarHBondContact CB-O 3.42Å; T81-L346 PolarHBondContact N-O 2.81Å; T81-L346 PolarHBondContact O-N 3.36Å; V83-L346 HydrophobicContact CG1-CD1 4Å; V83-L346 HydrophobicContact CG2-CD1 3.7Å; V83-L346 HydrophobicContact CG2-CG 4.17Å; F86-L346 HydrophobicContact CZ-CD2 4.48Å; Y316-L346 HydrophobicContact CE1-CD1 3.77Å; Y316-L346 HydrophobicContact CE2-CD1 4.46Å; Y316-L346 WeakPolarHBondContact OH-CD1 3.18Å; V344-L346 HydrophobicContact CG1-CD2 3.62Å; V344-L346 HydrophobicContact CG1-CG 4.12Å; L346-D348 VanDerWaalsContact C-N 3.26Å; L346-A349 HydrophobicContact CD1-CB 4.24Å; L346-V352 HydrophobicContact CD2-CG1 4.28Å; L346-T353 CarbonylContact C-O 3.52Å; L346-T353 WeakPolarHBondContact CA-O 3.24Å; L346-V354 HydrophobicContact CD2-CB 4.43Å; L346-V354 HydrophobicContact CD2-CG2 3.83Å
347S98.4Very high97.8Very high74 Ų7438.8 Ų38.852%0.51721%0.207SC..EExtended strand (participates in β ladder)trans-74-22.3170.857.30000112.2T353S347-T353 PolarHBondContact N-O 3.46Å; S347-T353 WeakPolarHBondContact OG-CB 3.38Å; S347-T353 VanDerWaalsContact OG-CG2 3.29Å; S347-T353 WeakPolarHBondContact OG-CG2 3.42Å; S347-T353 PolarHBondContact OG-O 3.37Å
348D98.1Very high97.9Very high54 Ų5435 Ų3529%0.28918%0.183SC..EExtended strand (participates in β ladder)trans-144.8109.3170.4-175.3-30.7000109.1L346 R350 K351 V352 T353L346-D348 VanDerWaalsContact C-N 3.26Å; D348-R350 VanDerWaalsContact C-N 3.33Å; D348-R350 PolarHBondContact O-N 3.14Å; D348-R350 PolarHBondContact OD1-N 3.29Å; D348-K351 HydrophobicContact CB-CB 4.17Å; D348-K351 PolarHBondContact OD1-N 3.13Å; D348-K351 VanDerWaalsContact OD2-CD 3.32Å; D348-K351 WeakPolarHBondContact OD2-CD 3.32Å; D348-K351 WeakPolarHBondContact OD2-CG 3.37Å; D348-V352 WeakPolarHBondContact O-CA 3.41Å; D348-V352 PolarHBondContact O-N 3.23Å; D348-T353 PolarHBondContact O-N 3.11Å
349A97.8Very high98.1Very high12 Ų1233.7 Ų33.710%0.09917%0.169CC..THydrogen-bonded Turntrans-73.4-19.2-178.100000114.2T81 L312 Y316 L346T81-A349 HydrophobicContact CG2-CB 4.1Å; L312-A349 HydrophobicContact CD2-CB 3.87Å; L312-A349 VanDerWaalsContact CD2-O 3.26Å; L312-A349 WeakPolarHBondContact CD2-O 3.02Å; Y316-A349 PolarHBondContact OH-O 3.19Å; L346-A349 HydrophobicContact CD1-CB 4.24Å
350R97.3Very high98.1Very high151 Ų15134 Ų3457%0.5717%0.17SC*.THydrogen-bonded Turntrans-81.3-40.7175.3-72.1-179.7-164.2-84.2-5.3111.1I305 L312 D348 V352I305-R350 HydrophobicContact CG2-CB 4.25Å; I305-R350 HydrophobicContact CG2-CG 4.22Å; L312-R350 HydrophobicContact CD1-CG 4.22Å; L312-R350 HydrophobicContact CD2-CG 4.05Å; L312-R350 HydrophobicContact CG-CG 4.48Å; D348-R350 VanDerWaalsContact C-N 3.33Å; D348-R350 PolarHBondContact O-N 3.14Å; D348-R350 PolarHBondContact OD1-N 3.29Å; R350-V352 VanDerWaalsContact C-N 3.33Å
351K97.6Very high98.1Very high114 Ų11433.4 Ų33.450%0.49617%0.168SC..THydrogen-bonded Turntrans-83.4-9.8177.4-64.1-175.6-176.4176.50113.9R302 D348 T353R302-K351 WeakPolarHBondContact CD-O 3.39Å; D348-K351 HydrophobicContact CB-CB 4.17Å; D348-K351 PolarHBondContact OD1-N 3.13Å; D348-K351 VanDerWaalsContact OD2-CD 3.32Å; D348-K351 WeakPolarHBondContact OD2-CD 3.32Å; D348-K351 WeakPolarHBondContact OD2-CG 3.37Å; K351-T353 VanDerWaalsContact C-N 3.29Å; K351-T353 PolarHBondContact O-N 2.95Å
352V98.2Very high98Very high7 Ų738.1 Ų38.14%0.04219%0.19CC..THydrogen-bonded Turntrans60.639.4-176.4-157.90000111.2F86 D298 I301 R302 L346 D348 R350 V354F86-V352 HydrophobicContact CE2-CG1 3.95Å; F86-V352 HydrophobicContact CZ-CG1 3.7Å; D298-V352 HydrophobicContact CB-CG1 3.99Å; I301-V352 HydrophobicContact CB-CG2 4.1Å; I301-V352 HydrophobicContact CG2-CG2 3.71Å; R302-V352 HydrophobicContact CB-CB 4.46Å; R302-V352 HydrophobicContact CB-CG2 3.71Å; L346-V352 HydrophobicContact CD2-CG1 4.28Å; D348-V352 WeakPolarHBondContact O-CA 3.41Å; D348-V352 PolarHBondContact O-N 3.23Å; R350-V352 VanDerWaalsContact C-N 3.33Å; V352-V354 PolarHBondContact O-N 2.91Å; V352-V354 VanDerWaalsContact O-N 3.12Å
353T98.1Very high97.9Very high64 Ų6439.6 Ų39.639%0.39320%0.2SC..EExtended strand (participates in β ladder)trans-79.198.7-179.5-520000110.3L346 S347 D348 K351 Q355L346-T353 CarbonylContact C-O 3.52Å; L346-T353 WeakPolarHBondContact CA-O 3.24Å; S347-T353 PolarHBondContact N-O 3.46Å; S347-T353 WeakPolarHBondContact OG-CB 3.38Å; S347-T353 VanDerWaalsContact OG-CG2 3.29Å; S347-T353 WeakPolarHBondContact OG-CG2 3.42Å; S347-T353 PolarHBondContact OG-O 3.37Å; D348-T353 PolarHBondContact O-N 3.11Å; K351-T353 VanDerWaalsContact C-N 3.29Å; K351-T353 PolarHBondContact O-N 2.95Å; T353-Q355 PolarHBondContact O-N 2.9Å
354V98.2Very high97.8Very high42 Ų4240.9 Ų40.926%0.25521%0.206SC..EExtended strand (participates in β ladder)trans-67.3122.8-178.8-178.10000111.4P109 R110 V344 L346 V352 V357P109-V354 WeakPolarHBondContact O-CG1 3.48Å; R110-V354 WeakPolarHBondContact O-CG2 3.1Å; V344-V354 HydrophobicContact CG1-CG1 4.04Å; V344-V354 HydrophobicContact CG1-CG2 3.98Å; L346-V354 HydrophobicContact CD2-CB 4.43Å; L346-V354 HydrophobicContact CD2-CG2 3.83Å; V352-V354 PolarHBondContact O-N 2.91Å; V352-V354 VanDerWaalsContact O-N 3.12Å; V354-V357 HydrophobicContact CG1-CG2 3.67Å
355Q97.8Very high97.7Very high54 Ų5444.6 Ų44.625%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-91.4-45.9172.6175.3177.4-83.600111.3A77 L345 T353A77-Q355 PolarHBondContact O-NE2 3.1Å; L345-Q355 HydrophobicContact CB-CB 4.44Å; L345-Q355 WeakPolarHBondContact O-CA 3.25Å; L345-Q355 WeakPolarHBondContact O-CB 3.41Å; L345-Q355 PolarHBondContact O-N 3.31Å; T353-Q355 PolarHBondContact O-N 2.9Å
356Q97.6Very high97.6Very high58 Ų5846.9 Ų46.927%0.27125%0.245SC..EExtended strand (participates in β ladder)trans-159.4149.4-176.4-170.716929.600109.9L345L345-Q356 HydrophobicContact CB-CB 4.36Å; L345-Q356 HydrophobicContact CD1-CB 4.29Å; L345-Q356 PolarHBondContact N-O 3.13Å; L345-Q356 PolarHBondContact O-N 2.72Å
357V98.6Very high97.5Very high4 Ų454.5 Ų54.52%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-120.9136.9175.2-175.90000108.3T113 I343 V344 V354 V359 I364T113-V357 HydrophobicContact CG2-CG1 3.92Å; I343-V357 CarbonylContact O-C 3.5Å; I343-V357 WeakPolarHBondContact O-CA 3.25Å; V344-V357 HydrophobicContact CG2-CG1 4.43Å; V344-V357 HydrophobicContact CG2-CG2 4.46Å; V354-V357 HydrophobicContact CG1-CG2 3.67Å; V357-V359 HydrophobicContact CG1-CG2 4.04Å; V357-I364 HydrophobicContact CB-CB 4.5Å; V357-I364 PolarHBondContact O-N 3.26Å
358L98.4Very high97.4Very high0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-116.4138.9166.9-61.987.3000108I34 I54 I75 D342 I343 L345 E362 P363I34-L358 HydrophobicContact CD1-CD1 4Å; I34-L358 HydrophobicContact CD1-CD2 4.03Å; I54-L358 HydrophobicContact CD1-CD2 3.86Å; I75-L358 HydrophobicContact CD1-CD2 4.35Å; D342-L358 CarbonylContact C-O 3.51Å; D342-L358 WeakPolarHBondContact CA-O 3.48Å; I343-L358 HydrophobicContact CB-CB 4.28Å; I343-L358 HydrophobicContact CB-CD1 4.24Å; I343-L358 PolarHBondContact N-O 3.42Å; I343-L358 PolarHBondContact O-N 3.03Å; L345-L358 HydrophobicContact CD1-CD1 4.45Å; L345-L358 HydrophobicContact CG-CD1 4.45Å; L358-E362 CarbonylContact C-O 3.47Å; L358-E362 VanDerWaalsContact CA-O 3.24Å; L358-E362 WeakPolarHBondContact CA-O 3.31Å; L358-P363 HydrophobicContact CD2-CG 4.17Å; L358-P363 HydrophobicContact CG-CG 4.45Å
359V98.1Very high97.3Very high4 Ų451.3 Ų51.32%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-131.9130.5177.1179.10000107.7L108 T113 R142 D342 V357 G361 E362 I364L108-V359 HydrophobicContact CD1-CG2 3.7Å; L108-V359 HydrophobicContact CD2-CG2 4.39Å; L108-V359 HydrophobicContact CG-CG2 4.31Å; T113-V359 HydrophobicContact CG2-CG2 3.95Å; R142-V359 VanDerWaalsContact O-CG1 3.27Å; R142-V359 WeakPolarHBondContact O-CG1 3.24Å; D342-V359 WeakPolarHBondContact OD1-CA 3.36Å; V357-V359 HydrophobicContact CG1-CG2 4.04Å; V359-G361 PolarHBondContact O-N 3.05Å; V359-G361 VanDerWaalsContact O-N 3.14Å; V359-E362 PolarHBondContact N-O 3.28Å; V359-E362 PolarHBondContact O-N 2.9Å; V359-I364 HydrophobicContact CB-CD1 4.13Å; V359-I364 HydrophobicContact CB-CG1 4.22Å; V359-I364 HydrophobicContact CG2-CD1 4.16Å; V359-I364 HydrophobicContact CG2-CG1 3.79Å
360K96.8Very high97.3Very high56 Ų5655.1 Ų55.124%0.24328%0.276CS..THydrogen-bonded Turntrans50.439-176.6-61.6159.8-176.81590111.2R57 R142 N144 Q340 A341 D342 E362R57-K360 VanDerWaalsContact CA-O 3.31Å; R57-K360 WeakPolarHBondContact CA-O 3.46Å; R57-K360 HydrophobicContact CB-CB 4.31Å; R57-K360 HydrophobicContact CG-CB 4.14Å; R142-K360 PolarHBondContact O-NZ 3.26Å; N144-K360 WeakPolarHBondContact OD1-CE 3.15Å; Q340-K360 HydrophobicContact CG-CG 4.17Å; A341-K360 PolarHBondContact O-N 3.28Å; D342-K360 PolarHBondContact OD1-N 2.88Å; K360-E362 VanDerWaalsContact C-N 3.27Å; K360-E362 PolarHBondContact O-N 3.16Å
361G96.8Very high97.3Very high0 Ų051.9 Ų51.90%028%0.281CS..THydrogen-bonded Turntrans81.1-8.2178.800000116Y32 A341 V359Y32-G361 WeakPolarHBondContact CD2-O 3.39Å; A341-G361 PolarHBondContact O-N 3.43Å; V359-G361 PolarHBondContact O-N 3.05Å; V359-G361 VanDerWaalsContact O-N 3.14Å
362E96.4Very high97.3Very high99 Ų9949.9 Ų49.946%0.46327%0.274SS..EExtended strand (participates in β ladder)trans-100.7130.7-175.4-66-64150.800111.2Y32 L358 V359 K360 I364Y32-E362 PolarHBondContact OH-OE2 2.85Å; L358-E362 CarbonylContact C-O 3.47Å; L358-E362 VanDerWaalsContact CA-O 3.24Å; L358-E362 WeakPolarHBondContact CA-O 3.31Å; V359-E362 PolarHBondContact N-O 3.28Å; V359-E362 PolarHBondContact O-N 2.9Å; K360-E362 VanDerWaalsContact C-N 3.27Å; K360-E362 PolarHBondContact O-N 3.16Å; E362-I364 PolarHBondContact O-N 2.97Å
363P96.6Very high97.3Very high39 Ų3950 Ų5025%0.25327%0.274SS..EExtended strand (participates in β ladder)trans-62.4130.3172-20.332.1000112.3Y32 I75 L358Y32-P363 HydrophobicContact CE1-CG 4.22Å; I75-P363 HydrophobicContact CD1-CG 4.12Å; L358-P363 HydrophobicContact CD2-CG 4.17Å; L358-P363 HydrophobicContact CG-CG 4.45Å
364I97.1Very high97.2Very high26 Ų2651.5 Ų51.513%0.13329%0.287CS..PPolyproline II helixtrans-88.6124.5176-57.8-56.7000109.8L108 V357 V359 E362 L369L108-I364 HydrophobicContact CD2-CD1 4.11Å; L108-I364 HydrophobicContact CD2-CG1 4.14Å; L108-I364 HydrophobicContact CD2-CG2 4.16Å; L108-I364 HydrophobicContact CG-CG1 4.44Å; L108-I364 HydrophobicContact CG-CG2 4.39Å; V357-I364 HydrophobicContact CB-CB 4.5Å; V357-I364 PolarHBondContact O-N 3.26Å; V359-I364 HydrophobicContact CB-CD1 4.13Å; V359-I364 HydrophobicContact CB-CG1 4.22Å; V359-I364 HydrophobicContact CG2-CD1 4.16Å; V359-I364 HydrophobicContact CG2-CG1 3.79Å; E362-I364 PolarHBondContact O-N 2.97Å; I364-L369 HydrophobicContact CG2-CD2 4.46Å
365D96.5Very high97.2Very high78 Ų7852.7 Ų52.742%0.41730%0.301SS..  trans-101.6115.9169.4-179.7-106.2000110.3Q367 T368 L369D365-Q367 VanDerWaalsContact C-N 3.3Å; D365-Q367 PolarHBondContact O-N 2.83Å; D365-Q367 PolarHBondContact OD1-N 3.26Å; D365-T368 PolarHBondContact O-N 2.87Å; D365-T368 VanDerWaalsContact OD1-CB 3.25Å; D365-T368 WeakPolarHBondContact OD1-CB 3.13Å; D365-T368 PolarHBondContact OD1-N 3.23Å; D365-T368 PolarHBondContact OD1-OG1 2.84Å; D365-L369 PolarHBondContact O-N 3.28Å
366A96Very high97.2Very high49 Ų4951.4 Ų51.441%0.40529%0.294SS..Hα-helixtrans-64.1-34.5-175.600000112.6P109 L369 Q370P109-A366 HydrophobicContact CB-CB 3.98Å; P109-A366 HydrophobicContact CG-CB 3.88Å; A366-L369 PolarHBondContact O-N 3.23Å; A366-Q370 WeakPolarHBondContact O-CB 3.45Å; A366-Q370 PolarHBondContact O-N 3.45Å
367Q96.9Very high97.2Very high160 Ų16049.8 Ų49.875%0.74829%0.287SS*.Hα-helixtrans-68.8-42.3179.5-64.7-179.4300111.1D365 Q370 A371D365-Q367 VanDerWaalsContact C-N 3.3Å; D365-Q367 PolarHBondContact O-N 2.83Å; D365-Q367 PolarHBondContact OD1-N 3.26Å; Q367-Q370 PolarHBondContact O-N 3.25Å; Q367-A371 VanDerWaalsContact O-CB 3.29Å; Q367-A371 WeakPolarHBondContact O-CB 3.01Å; Q367-A371 PolarHBondContact O-N 2.81Å
368T97.1Very high97.1Very high60 Ų6053.3 Ų53.337%0.36832%0.317SS..Hα-helixtrans-63.9-45.8175.1-58.30000110.6D365 Q370 A371 E372D365-T368 PolarHBondContact O-N 2.87Å; D365-T368 VanDerWaalsContact OD1-CB 3.25Å; D365-T368 WeakPolarHBondContact OD1-CB 3.13Å; D365-T368 PolarHBondContact OD1-N 3.23Å; D365-T368 PolarHBondContact OD1-OG1 2.84Å; T368-Q370 VanDerWaalsContact C-N 3.29Å; T368-Q370 PolarHBondContact O-N 3.28Å; T368-A371 PolarHBondContact O-N 3.48Å; T368-E372 HydrophobicContact CG2-CG 4.34Å; T368-E372 WeakPolarHBondContact O-CB 3.25Å; T368-E372 WeakPolarHBondContact O-CG 3.44Å; T368-E372 PolarHBondContact O-N 2.8Å
369L96.2Very high97Very high0 Ų059.5 Ų59.50%035%0.346CS..Hα-helixtrans-57.6-43.4177.2-169.465.5000111.7T105 L108 P109 I364 D365 A366 E373 R376T105-L369 HydrophobicContact CG2-CD2 4.49Å; T105-L369 HydrophobicContact CG2-CG 4.24Å; L108-L369 HydrophobicContact CB-CD2 4.17Å; L108-L369 HydrophobicContact CD2-CD2 4.24Å; P109-L369 HydrophobicContact CG-CD2 4.21Å; I364-L369 HydrophobicContact CG2-CD2 4.46Å; D365-L369 PolarHBondContact O-N 3.28Å; A366-L369 PolarHBondContact O-N 3.23Å; L369-E373 PolarHBondContact O-N 2.78Å; L369-R376 PolarHBondContact O-NH2 2.79Å
370Q96.6Very high97Very high93 Ų9359.3 Ų59.344%0.43535%0.345SS..Hα-helixtrans-67.7-42.9176.1-17265.46800112.6T105 A366 Q367 T368 E372 E373T105-Q370 HydrophobicContact CG2-CB 4.19Å; T105-Q370 VanDerWaalsContact CG2-OE1 3.3Å; A366-Q370 WeakPolarHBondContact O-CB 3.45Å; A366-Q370 PolarHBondContact O-N 3.45Å; Q367-Q370 PolarHBondContact O-N 3.25Å; T368-Q370 VanDerWaalsContact C-N 3.29Å; T368-Q370 PolarHBondContact O-N 3.28Å; Q370-E372 VanDerWaalsContact C-N 3.27Å; Q370-E372 PolarHBondContact O-N 2.57Å; Q370-E373 PolarHBondContact NE2-OE2 3.05Å; Q370-E373 VanDerWaalsContact NE2-OE2 3.09Å; Q370-E373 WeakPolarHBondContact O-CB 3.4Å; Q370-E373 PolarHBondContact O-N 2.96Å
371A97.6Very high97Very high83 Ų8359.4 Ų59.469%0.68636%0.356SS*.Hα-helixtrans-65.8-30.6-179.600000112.7Q367 T368Q367-A371 VanDerWaalsContact O-CB 3.29Å; Q367-A371 WeakPolarHBondContact O-CB 3.01Å; Q367-A371 PolarHBondContact O-N 2.81Å; T368-A371 PolarHBondContact O-N 3.48Å
372E97.4Very high97Very high72 Ų7260.9 Ų60.934%0.33637%0.365SS..THydrogen-bonded Turntrans-90.6-5.3179.5-66.417415100113.5R142 T368 Q370 S374 A375 R376R142-E372 IonicContact CZ-OE2 3.58Å; R142-E372 VanDerWaalsContact CZ-OE2 3.26Å; R142-E372 IonicContact NH1-OE2 3.93Å; R142-E372 PolarHBondContact NH1-OE2 3.39Å; R142-E372 VanDerWaalsContact NH1-OE2 3.11Å; R142-E372 IonicContact NH2-OE1 3.27Å; R142-E372 IonicContact NH2-OE2 3.16Å; R142-E372 PolarHBondContact NH2-OE2 2.76Å; T368-E372 HydrophobicContact CG2-CG 4.34Å; T368-E372 WeakPolarHBondContact O-CB 3.25Å; T368-E372 WeakPolarHBondContact O-CG 3.44Å; T368-E372 PolarHBondContact O-N 2.8Å; Q370-E372 VanDerWaalsContact C-N 3.27Å; Q370-E372 PolarHBondContact O-N 2.57Å; E372-S374 PolarHBondContact O-N 3.21Å; E372-A375 PolarHBondContact O-N 3.09Å; E372-A375 VanDerWaalsContact O-N 3.1Å; E372-R376 PolarHBondContact O-N 3.24Å
373E97.6Very high97Very high8 Ų857.9 Ų57.94%0.03735%0.354CS..Hα-helixtrans-55.2-48.6-174.6-175.5174.913300112.5V101 T102 T105 L369 Q370 A375 R376 L377V101-E373 HydrophobicContact CG1-CG 4.2Å; T102-E373 PolarHBondContact OG1-OE1 3.35Å; T105-E373 WeakPolarHBondContact CB-OE2 3.32Å; T105-E373 WeakPolarHBondContact CG2-OE2 3.26Å; T105-E373 PolarHBondContact OG1-OE2 2.84Å; L369-E373 PolarHBondContact O-N 2.78Å; Q370-E373 PolarHBondContact NE2-OE2 3.05Å; Q370-E373 VanDerWaalsContact NE2-OE2 3.09Å; Q370-E373 WeakPolarHBondContact O-CB 3.4Å; Q370-E373 PolarHBondContact O-N 2.96Å; E373-A375 VanDerWaalsContact C-N 3.26Å; E373-A375 PolarHBondContact O-N 3.48Å; E373-R376 PolarHBondContact O-N 3.16Å; E373-L377 WeakPolarHBondContact O-CB 3.32Å; E373-L377 PolarHBondContact O-N 3.39Å
374S97.3Very high96.9Very high97 Ų9763.3 Ų63.368%0.67837%0.371SS*.Hα-helixtrans-60-36179.5-56.20000112.9E372 A378E372-S374 PolarHBondContact O-N 3.21Å; S374-A378 WeakPolarHBondContact O-CB 3.19Å; S374-A378 PolarHBondContact O-N 3.28Å
375A97.7Very high96.7Very high66 Ų6663.4 Ų63.455%0.54538%0.379SS..Hα-helixtrans-72.4-44.3178.500000111.5E372 E373 L377 A378 Q379E372-A375 PolarHBondContact O-N 3.09Å; E372-A375 VanDerWaalsContact O-N 3.1Å; E373-A375 VanDerWaalsContact C-N 3.26Å; E373-A375 PolarHBondContact O-N 3.48Å; A375-L377 VanDerWaalsContact C-N 3.3Å; A375-L377 PolarHBondContact O-N 2.97Å; A375-A378 PolarHBondContact O-N 2.92Å; A375-Q379 PolarHBondContact O-N 3Å
376R97.7Very high96.6Very high27 Ų2764.5 Ų64.510%0.10238%0.384CS..Hα-helixtrans-60.3-41.6173.8-72.4-172.5-71.2124.87.4111.3V101 E104 T105 L369 E372 E373 Q379 S380V101-R376 HydrophobicContact CG1-CB 3.57Å; V101-R376 PolarHBondContact O-NH1 3.15Å; E104-R376 IonicContact OE2-CZ 3.08Å; E104-R376 IonicContact OE2-NH1 3.86Å; E104-R376 PolarHBondContact OE2-NH1 3.07Å; T105-R376 PolarHBondContact OG1-NH2 2.83Å; L369-R376 PolarHBondContact O-NH2 2.79Å; E372-R376 PolarHBondContact O-N 3.24Å; E373-R376 PolarHBondContact O-N 3.16Å; R376-Q379 PolarHBondContact O-N 3.49Å; R376-S380 PolarHBondContact O-N 3Å
377L97.1Very high96.7Very high24 Ų2463.8 Ų63.813%0.12638%0.375CS..Hα-helixtrans-62.7-47.4177.8-176.567.1000111.3T99 V101 E373 A375 Q379 S380 A381 P382 T524T99-L377 HydrophobicContact CG2-CD1 3.77Å; V101-L377 HydrophobicContact CG1-CB 4.4Å; E373-L377 WeakPolarHBondContact O-CB 3.32Å; E373-L377 PolarHBondContact O-N 3.39Å; A375-L377 VanDerWaalsContact C-N 3.3Å; A375-L377 PolarHBondContact O-N 2.97Å; L377-Q379 VanDerWaalsContact C-N 3.27Å; L377-Q379 PolarHBondContact O-N 3.21Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-S380 PolarHBondContact O-OG 2.7Å; L377-A381 PolarHBondContact O-N 3.09Å; L377-P382 HydrophobicContact CD1-CG 4.13Å; L377-P382 HydrophobicContact CG-CG 4.42Å; L377-P382 VanDerWaalsContact O-CD 3.31Å; L377-P382 WeakPolarHBondContact O-CD 3.15Å; L377-T524 HydrophobicContact CD1-CG2 4.36Å; L377-T524 HydrophobicContact CD2-CG2 3.81Å; L377-T524 HydrophobicContact CG-CG2 4.5Å
378A97Very high96.7Very high79 Ų7956.7 Ų56.765%0.65334%0.342SS*.Hα-helixtrans-59.4-38.6175.700000112.2S374 A375 A381S374-A378 WeakPolarHBondContact O-CB 3.19Å; S374-A378 PolarHBondContact O-N 3.28Å; A375-A378 PolarHBondContact O-N 2.92Å; A378-A381 PolarHBondContact O-N 3.2Å
379Q97Very high96.7Very high130 Ų13056.7 Ų56.761%0.60735%0.348SS*.Hα-helixtrans-68.5-33.9177.2-172178.44.500113.1A375 R376 L377 A381A375-Q379 PolarHBondContact O-N 3Å; R376-Q379 PolarHBondContact O-N 3.49Å; L377-Q379 VanDerWaalsContact C-N 3.27Å; L377-Q379 PolarHBondContact O-N 3.21Å; Q379-A381 PolarHBondContact O-N 2.87Å
380S96.6Very high96.6Very high0 Ų058.1 Ų58.10%035%0.353CS..Hα-helixtrans-69-22.4177.876.90000113.3W133 R136 R376 L377W133-S380 VanDerWaalsContact CD1-O 3.29Å; W133-S380 PolarHBondContact NE1-O 3.26Å; R136-S380 PolarHBondContact NE-O 2.92Å; R136-S380 VanDerWaalsContact NE-O 3.09Å; R376-S380 PolarHBondContact O-N 3Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-S380 PolarHBondContact O-OG 2.7Å
381A96.9Very high96.6Very high58 Ų5861 Ų6148%0.47937%0.367SS..  trans52.568.3-177.300000112.5L377 A378 Q379L377-A381 PolarHBondContact O-N 3.09Å; A378-A381 PolarHBondContact O-N 3.2Å; Q379-A381 PolarHBondContact O-N 2.87Å
382P97.3Very high96.5Very high30 Ų3061.2 Ų61.220%0.19536%0.361CS..  trans-56.3141.8178.224.4-33.9000111.3W133 L377 Y384 I518 T524W133-P382 HydrophobicContact CH2-CB 4.46Å; W133-P382 HydrophobicContact CZ2-CB 3.69Å; L377-P382 HydrophobicContact CD1-CG 4.13Å; L377-P382 HydrophobicContact CG-CG 4.42Å; L377-P382 VanDerWaalsContact O-CD 3.31Å; L377-P382 WeakPolarHBondContact O-CD 3.15Å; P382-Y384 PolarHBondContact O-N 3.35Å; P382-I518 HydrophobicContact CB-CD1 3.96Å; P382-T524 HydrophobicContact CG-CG2 4.22Å
383P96.8Very high96.6Very high36 Ų3658.4 Ų58.423%0.23435%0.349CS..  trans-76.663.2178.732.6-34.7000110.7I122 M126 W133 G385 I518I122-P383 HydrophobicContact CD1-CG 4.19Å; M126-P383 HydrophobicContact CE-CB 3.69Å; M126-P383 HydrophobicContact CE-CG 4.2Å; M126-P383 HydrophobicContact SD-CB 4.1Å; M126-P383 HydrophobicContact SD-CG 3.94Å; W133-P383 HydrophobicContact CD2-CG 4.17Å; W133-P383 HydrophobicContact CE3-CG 4.12Å; W133-P383 HydrophobicContact CG-CG 4.41Å; P383-G385 PolarHBondContact O-N 3.02Å; P383-I518 HydrophobicContact CG-CG2 4.05Å
384Y95.4Very high96.6Very high153 Ų15360.3 Ų60.360%0.636%0.363SS*.  trans-66.1125.4-178.7-163.4-81.5000110.2P382 P517 I518 T524P382-Y384 PolarHBondContact O-N 3.35Å; Y384-P517 HydrophobicContact CD2-CB 4.16Å; Y384-P517 HydrophobicContact CD2-CG 4.09Å; Y384-P517 HydrophobicContact CE1-CB 4.02Å; Y384-P517 HydrophobicContact CE2-CB 3.54Å; Y384-P517 HydrophobicContact CE2-CG 3.31Å; Y384-P517 VanDerWaalsContact CZ-CB 3.44Å; Y384-I518 HydrophobicContact CD2-CG1 4.47Å; Y384-T524 HydrophobicContact CD2-CG2 4.26Å
385G92.4Very high96.6Very high29 Ų2957.1 Ų57.130%0.29934%0.343SS..BIsolated β-bridgetrans161.815617800000113.6P383 T387 P517P383-G385 PolarHBondContact O-N 3.02Å; G385-T387 PolarHBondContact O-N 3.41Å; G385-P517 PolarHBondContact N-O 2.98Å
386N94.7Very high96.5Very high101 Ų10158.3 Ų58.354%0.5435%0.347SS..  trans-70118.4178.2-1742.3000110.7I388 G499N386-I388 WeakPolarHBondContact OD1-CA 3.36Å; N386-I388 WeakPolarHBondContact OD1-CB 3.48Å; N386-I388 PolarHBondContact OD1-N 3.48Å; N386-G499 VanDerWaalsContact OD1-CA 3.23Å; N386-G499 WeakPolarHBondContact OD1-CA 3.49Å
387T96.4Very high96.4Very high33 Ų3360.3 Ų60.320%0.20236%0.36CS..  trans-99.2-4.1175.653.10000113V125 G385 A389 A519V125-T387 HydrophobicContact CG1-CG2 4.19Å; G385-T387 PolarHBondContact O-N 3.41Å; T387-A389 PolarHBondContact O-N 2.61Å; T387-A519 VanDerWaalsContact OG1-C 3.29Å; T387-A519 PolarHBondContact OG1-O 2.73Å
388I97.3Very high96.4Very high12 Ų1259.8 Ų59.86%0.06236%0.357CS..  trans-82.3107.1177.4-56.7-174.1000109.5N386 R390 R445 T470 I478 V495 I496N386-I388 WeakPolarHBondContact OD1-CA 3.36Å; N386-I388 WeakPolarHBondContact OD1-CB 3.48Å; N386-I388 PolarHBondContact OD1-N 3.48Å; I388-R390 HydrophobicContact CG2-CB 3.95Å; I388-R445 HydrophobicContact CG2-CB 4.44Å; I388-T470 HydrophobicContact CD1-CG2 3.78Å; I388-I478 HydrophobicContact CG2-CD1 4.39Å; I388-V495 VanDerWaalsContact CD1-O 3.27Å; I388-V495 WeakPolarHBondContact CD1-O 3.17Å; I388-I496 HydrophobicContact CG2-CB 4.42Å; I388-I496 HydrophobicContact CG2-CG1 4.02Å; I388-I496 HydrophobicContact CG2-CG2 4.29Å
389A96.7Very high95.7Very high59 Ų5959.9 Ų59.949%0.48836%0.357SS..  trans-10038174.500000112T387 R445 G447T387-A389 PolarHBondContact O-N 2.61Å; A389-R445 CarbonylContact C-O 3.53Å; A389-R445 WeakPolarHBondContact CA-O 3.32Å; A389-R445 PolarHBondContact N-O 2.9Å; A389-G447 VanDerWaalsContact O-CA 3.27Å; A389-G447 WeakPolarHBondContact O-CA 3.35Å
390R95.7Very high95.2Very high31 Ų3156.1 Ų56.112%0.11734%0.341CS..  trans-108.8142.8179.4-160.6-179.3177.671.13.4111.7I388 E444 L450 I496I388-R390 HydrophobicContact CG2-CB 3.95Å; R390-E444 WeakPolarHBondContact CD-O 3.34Å; R390-E444 PolarHBondContact NH1-O 3.24Å; R390-L450 PolarHBondContact NH1-O 3.07Å; R390-L450 VanDerWaalsContact NH1-O 3.11Å; R390-L450 PolarHBondContact NH2-O 2.91Å; R390-I496 HydrophobicContact CB-CD1 4.44Å
391Q95.4Very high94.8Very high152 Ų15265 Ų6571%0.7138%0.382SS*.  trans-75.9154.5169.5-64.1-58.6-48.500111.1
392P96.9Very high94.6Very high88 Ų8863.7 Ų63.757%0.57137%0.366SS*.  trans-54.2146.8170.8-25.134.7000112.1N493P392-N493 WeakPolarHBondContact CA-OD1 3.43Å; P392-N493 WeakPolarHBondContact CB-OD1 3.4Å
393V97.8Very high94.5Very high14 Ų1465.8 Ų65.89%0.08538%0.378CS..  trans-107.7165.1-180-60.50000111.7D397 F398 L443 A489 V492 N493V393-D397 HydrophobicContact CB-CB 4.46Å; V393-F398 HydrophobicContact CB-CE2 4.42Å; V393-F398 HydrophobicContact CG2-CE2 3.9Å; V393-F398 HydrophobicContact CG2-CZ 3.96Å; V393-L443 HydrophobicContact CG1-CD2 3.85Å; V393-A489 HydrophobicContact CG2-CB 4.26Å; V393-V492 HydrophobicContact CG1-CG1 4.38Å; V393-V492 HydrophobicContact CG2-CB 3.85Å; V393-V492 HydrophobicContact CG2-CG1 3.52Å; V393-N493 PolarHBondContact N-OD1 2.86Å; V393-N493 PolarHBondContact O-ND2 3.23Å
394S97.8Very high94.4Very high48 Ų4867.5 Ų67.534%0.33639%0.389SS..  trans-124.8164.117866.60000110.5S396 D397S394-S396 PolarHBondContact O-N 2.92Å; S394-S396 VanDerWaalsContact O-N 3.16Å; S394-S396 PolarHBondContact OG-OG 2.9Å; S394-D397 PolarHBondContact N-OD2 3.33Å; S394-D397 WeakPolarHBondContact O-CB 3.29Å; S394-D397 PolarHBondContact O-N 2.97Å; S394-D397 PolarHBondContact OG-OD2 2.85Å
395A97.1Very high94.3Very high30 Ų3063.2 Ų63.225%0.24839%0.391CS..G310 helixtrans-56.4-32.4176.300000112.7D397 F398 A485 E486A395-D397 PolarHBondContact O-N 3.33Å; A395-F398 PolarHBondContact O-N 2.89Å; A395-A485 HydrophobicContact CB-CB 3.95Å; A395-A485 WeakPolarHBondContact O-CB 3.49Å; A395-E486 HydrophobicContact CB-CG 4.02Å
396S96.4Very high94.5Very high90 Ų9066.2 Ų66.263%0.62940%0.396SS*.G310 helixtrans-65.6-19.8177.840.50000114.4S394 F398 A399S394-S396 PolarHBondContact O-N 2.92Å; S394-S396 VanDerWaalsContact O-N 3.16Å; S394-S396 PolarHBondContact OG-OG 2.9Å; S396-F398 PolarHBondContact O-N 2.98Å; S396-A399 WeakPolarHBondContact O-CB 3.44Å; S396-A399 PolarHBondContact O-N 2.79Å
397D96.4Very high94.6Very high70 Ų7065.8 Ų65.837%0.37439%0.387SS..G310 helixtrans-72.7-15.2177.3-61.7-60.9000112.6V393 S394 A395 P452V393-D397 HydrophobicContact CB-CB 4.46Å; S394-D397 PolarHBondContact N-OD2 3.33Å; S394-D397 WeakPolarHBondContact O-CB 3.29Å; S394-D397 PolarHBondContact O-N 2.97Å; S394-D397 PolarHBondContact OG-OD2 2.85Å; A395-D397 PolarHBondContact O-N 3.33Å; D397-P452 HydrophobicContact CB-CG 4.09Å
398F95.9Very high94.6Very high13 Ų1364.6 Ų64.66%0.05738%0.379CS..G310 helixtrans-105.415.3179-55.3-78.1000113.2V393 A395 S396 L400 A441 L443 P452 V480 A485 M488 A489 V492V393-F398 HydrophobicContact CB-CE2 4.42Å; V393-F398 HydrophobicContact CG2-CE2 3.9Å; V393-F398 HydrophobicContact CG2-CZ 3.96Å; A395-F398 PolarHBondContact O-N 2.89Å; S396-F398 PolarHBondContact O-N 2.98Å; F398-L400 PolarHBondContact O-N 2.86Å; F398-A441 HydrophobicContact CD1-CB 3.73Å; F398-A441 HydrophobicContact CE1-CB 3.73Å; F398-L443 HydrophobicContact CE1-CD1 4.17Å; F398-L443 HydrophobicContact CE1-CD2 4.16Å; F398-L443 HydrophobicContact CE1-CG 4.49Å; F398-L443 HydrophobicContact CZ-CD2 4.08Å; F398-P452 HydrophobicContact CD1-CB 4.45Å; F398-P452 HydrophobicContact CE1-CB 4.37Å; F398-P452 HydrophobicContact CE1-CG 4.49Å; F398-V480 HydrophobicContact CE1-CG1 3.97Å; F398-V480 HydrophobicContact CZ-CG1 4.41Å; F398-A485 HydrophobicContact CB-CB 4Å; F398-M488 HydrophobicContact CD1-CE 3.81Å; F398-M488 HydrophobicContact CD2-CB 4.37Å; F398-M488 HydrophobicContact CE1-CE 4.15Å; F398-M488 HydrophobicContact CE2-CB 4.27Å; F398-M488 HydrophobicContact CG-CE 4.36Å; F398-M488 HydrophobicContact CZ-CB 4.35Å; F398-A489 HydrophobicContact CD2-CB 4.44Å; F398-A489 HydrophobicContact CE2-CB 3.87Å; F398-V492 HydrophobicContact CZ-CG2 4.12Å
399A83.5Confident94.6Very high80 Ų8066.6 Ų66.666%0.66139%0.386SS*.  trans-69.2101.5-174.500000112S396S396-A399 WeakPolarHBondContact O-CB 3.44Å; S396-A399 PolarHBondContact O-N 2.79Å
400L85.2Confident94.6Very high52 Ų5263.8 Ų63.827%0.27236%0.362SS..  trans-91.9133.8168.3-72.6172.7000110.6F398 F402 F439 C454 L584F398-L400 PolarHBondContact O-N 2.86Å; L400-F402 HydrophobicContact CB-CE1 4.08Å; L400-F402 HydrophobicContact CB-CE2 3.71Å; L400-F402 HydrophobicContact CB-CZ 3.41Å; L400-F402 VanDerWaalsContact CB-CZ 3.41Å; L400-F402 HydrophobicContact CD1-CE1 4.34Å; L400-F402 HydrophobicContact CD1-CZ 3.67Å; L400-F402 HydrophobicContact CG-CZ 4.14Å; L400-F439 HydrophobicContact CD1-CD1 4Å; L400-F439 HydrophobicContact CD1-CE1 4.43Å; L400-C454 HydrophobicContact CD1-CB 3.94Å; L400-C454 HydrophobicContact CD2-CB 3.57Å; L400-C454 HydrophobicContact CG-CB 3.8Å; L400-L584 HydrophobicContact CD2-CD2 4.22Å
401Q88.7Confident94.6Very high185 Ų18562.3 Ų62.386%0.86436%0.357SS*.  trans-103.4126173.8-66.9-172.3-9.200110.1
402F93.3Very high94.6Very high32 Ų3256.4 Ų56.414%0.1433%0.33CS..  trans-118.2142.5177.7-52.6-69.4000110.6L400 Y408 Y427 F432 F439 L456 L584L400-F402 HydrophobicContact CB-CE1 4.08Å; L400-F402 HydrophobicContact CB-CE2 3.71Å; L400-F402 HydrophobicContact CB-CZ 3.41Å; L400-F402 VanDerWaalsContact CB-CZ 3.41Å; L400-F402 HydrophobicContact CD1-CE1 4.34Å; L400-F402 HydrophobicContact CD1-CZ 3.67Å; L400-F402 HydrophobicContact CG-CZ 4.14Å; F402-Y408 WeakPolarHBondContact CA-OH 3.29Å; F402-Y408 HydrophobicContact CB-CE2 4.1Å; F402-Y408 HydrophobicContact CD1-CD1 4.03Å; F402-Y408 HydrophobicContact CD1-CD2 4.14Å; F402-Y408 AromaticContact CD1-CE1 3.86Å; F402-Y408 HydrophobicContact CD1-CE1 3.86Å; F402-Y408 AromaticContact CD1-CE2 3.96Å; F402-Y408 HydrophobicContact CD1-CE2 3.96Å; F402-Y408 HydrophobicContact CD1-CG 4.18Å; F402-Y408 AromaticContact CD1-CZ 3.83Å; F402-Y408 HydrophobicContact CE1-CD1 4.39Å; F402-Y408 HydrophobicContact CG-CE2 4.5Å; F402-Y427 HydrophobicContact CB-CD1 3.35Å; F402-Y427 HydrophobicContact CB-CD2 3.68Å; F402-Y427 HydrophobicContact CB-CE1 3.52Å; F402-Y427 HydrophobicContact CB-CE2 3.84Å; F402-Y427 HydrophobicContact CB-CG 3.43Å; F402-Y427 VanDerWaalsContact CB-CG 3.43Å; F402-Y427 HydrophobicContact CD2-CD2 4.11Å; F402-Y427 AromaticContact CD2-CE2 3.81Å; F402-Y427 HydrophobicContact CD2-CE2 3.81Å; F402-Y427 HydrophobicContact CG-CD1 4.47Å; F402-Y427 AromaticContact CG-CD2 3.97Å; F402-Y427 HydrophobicContact CG-CD2 3.97Å; F402-Y427 HydrophobicContact CG-CE2 4.09Å; F402-Y427 HydrophobicContact CG-CG 4.17Å; F402-F432 AromaticContact CD1-CZ 3.76Å; F402-F432 HydrophobicContact CD1-CZ 3.76Å; F402-F432 HydrophobicContact CD2-CE2 4.36Å; F402-F432 HydrophobicContact CD2-CZ 4.25Å; F402-F432 HydrophobicContact CE1-CE2 4.29Å; F402-F432 AromaticContact CE1-CZ 3.62Å; F402-F432 HydrophobicContact CE1-CZ 3.62Å; F402-F432 HydrophobicContact CE2-CE2 4.04Å; F402-F432 HydrophobicContact CE2-CZ 4.12Å; F402-F432 HydrophobicContact CG-CZ 4.07Å; F402-F432 AromaticContact CZ-CE2 3.98Å; F402-F432 HydrophobicContact CZ-CE2 3.98Å; F402-F432 AromaticContact CZ-CZ 3.79Å; F402-F432 HydrophobicContact CZ-CZ 3.79Å; F402-F439 AromaticContact CE2-CE1 3.82Å; F402-F439 HydrophobicContact CE2-CE1 3.82Å; F402-F439 HydrophobicContact CE2-CZ 4.45Å; F402-F439 AromaticContact CZ-CE1 3.93Å; F402-F439 HydrophobicContact CZ-CE1 3.93Å; F402-L456 HydrophobicContact CE1-CD1 4.29Å; F402-L456 HydrophobicContact CE1-CD2 4.25Å; F402-L456 HydrophobicContact CZ-CD2 3.89Å; F402-L584 HydrophobicContact CE1-CD2 4.19Å
403T94.6Very high94.5Very high74 Ų7452.7 Ų52.745%0.45431%0.306SS..  trans-103.2121.4177.9-60.20000108.9G405 K406 Y408T403-G405 PolarHBondContact O-N 3.11Å; T403-K406 HydrophobicContact CG2-CG 3.93Å; T403-K406 WeakPolarHBondContact O-CB 3.38Å; T403-K406 PolarHBondContact O-N 3.37Å; T403-K406 VanDerWaalsContact O-N 3.11Å; T403-Y408 PolarHBondContact N-OH 2.72Å
404P94.8Very high94.1Very high72 Ų7253.7 Ų53.747%0.46831%0.31SS..THydrogen-bonded Turntrans-52.8136.2175.7-28.836000112.6K406 Y427 E429P404-K406 VanDerWaalsContact C-N 3.32Å; P404-Y427 CarbonylContact C-O 3.58Å; P404-Y427 WeakPolarHBondContact CA-O 3.21Å; P404-Y427 HydrophobicContact CG-CD1 4.32Å; P404-Y427 HydrophobicContact CG-CE1 4.28Å; P404-E429 HydrophobicContact CG-CG 4.39Å
405G93.7Very high93.5Very high62 Ų6255.4 Ų55.464%0.63931%0.313SS*.THydrogen-bonded Turntrans85-7.8-177.100000115.2T403 Y427T403-G405 PolarHBondContact O-N 3.11Å; G405-Y427 PolarHBondContact N-O 3.48Å
406K95.5Very high92.6Very high92 Ų9257.2 Ų57.240%0.432%0.318SS..  trans-86.4157175.2-65.6-59-163.91210112.2T403 P404 Y408 V426 Y427 E585T403-K406 HydrophobicContact CG2-CG 3.93Å; T403-K406 WeakPolarHBondContact O-CB 3.38Å; T403-K406 PolarHBondContact O-N 3.37Å; T403-K406 VanDerWaalsContact O-N 3.11Å; P404-K406 VanDerWaalsContact C-N 3.32Å; K406-Y408 HydrophobicContact CB-CE2 3.78Å; K406-V426 WeakPolarHBondContact O-CA 3.38Å; K406-Y427 PolarHBondContact O-N 3.24Å; K406-E585 IonicContact NZ-OE1 2.66Å; K406-E585 PolarHBondContact NZ-OE1 3.28Å
407R96.2Very high91.9Very high92 Ų9256.5 Ų56.535%0.34731%0.305SS..EExtended strand (participates in β ladder)trans-103.3136.2176.8-76.3-172.3-76160.7-7.7110.8S425 V426 V586 E588R407-S425 WeakPolarHBondContact CA-O 3.4Å; R407-V426 HydrophobicContact CG-CG2 3.65Å; R407-V586 HydrophobicContact CB-CB 4.08Å; R407-V586 HydrophobicContact CB-CG2 4.28Å; R407-V586 PolarHBondContact O-N 3.28Å; R407-E588 IonicContact CZ-OE1 3.7Å; R407-E588 IonicContact NE-OE1 3.53Å; R407-E588 IonicContact NH2-OE1 3.72Å; R407-E588 PolarHBondContact NH2-OE1 2.84Å
408Y96.8Very high91.4Very high9 Ų953.6 Ų53.64%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-124.4141.7179.9-63.8-86.7000110.6F402 T403 K406 S424 S425 F432 L456 L584 E585F402-Y408 WeakPolarHBondContact CA-OH 3.29Å; F402-Y408 HydrophobicContact CB-CE2 4.1Å; F402-Y408 HydrophobicContact CD1-CD1 4.03Å; F402-Y408 HydrophobicContact CD1-CD2 4.14Å; F402-Y408 AromaticContact CD1-CE1 3.86Å; F402-Y408 HydrophobicContact CD1-CE1 3.86Å; F402-Y408 AromaticContact CD1-CE2 3.96Å; F402-Y408 HydrophobicContact CD1-CE2 3.96Å; F402-Y408 HydrophobicContact CD1-CG 4.18Å; F402-Y408 AromaticContact CD1-CZ 3.83Å; F402-Y408 HydrophobicContact CE1-CD1 4.39Å; F402-Y408 HydrophobicContact CG-CE2 4.5Å; T403-Y408 PolarHBondContact N-OH 2.72Å; K406-Y408 HydrophobicContact CB-CE2 3.78Å; Y408-S424 CarbonylContact O-C 3.55Å; Y408-S424 WeakPolarHBondContact O-CA 3.48Å; Y408-S425 PolarHBondContact N-O 2.77Å; Y408-S425 PolarHBondContact O-N 3.47Å; Y408-F432 AromaticContact CD2-CE1 3.87Å; Y408-F432 HydrophobicContact CD2-CE1 3.87Å; Y408-F432 HydrophobicContact CD2-CZ 4.44Å; Y408-F432 HydrophobicContact CG-CE1 4.24Å; Y408-L456 HydrophobicContact CG-CD1 4.45Å; Y408-L584 CarbonylContact C-O 3.51Å; Y408-L584 VanDerWaalsContact CA-O 3.31Å; Y408-L584 WeakPolarHBondContact CA-O 3.32Å; Y408-L584 HydrophobicContact CD1-CD2 4.4Å; Y408-L584 HydrophobicContact CD1-CG 4.12Å; Y408-E585 HydrophobicContact CD1-CB 4.18Å; Y408-E585 HydrophobicContact CE1-CB 3.92Å; Y408-E585 HydrophobicContact CE1-CG 4.26Å
409R96.9Very high91.1Very high53 Ų5354.2 Ų54.220%0.229%0.293CS..EExtended strand (participates in β ladder)trans-72.1138175.6-66.1-174.7177.575.25109.9L566 L573 T583 L584 E585 V586R409-L566 HydrophobicContact CB-CD1 4.17Å; R409-L573 HydrophobicContact CB-CD2 4.08Å; R409-T583 WeakPolarHBondContact CD-O 3.34Å; R409-T583 PolarHBondContact NH1-O 3.32Å; R409-T583 PolarHBondContact NH1-OG1 3.28Å; R409-L584 PolarHBondContact N-O 3.37Å; R409-L584 VanDerWaalsContact O-CD1 3.3Å; R409-L584 WeakPolarHBondContact O-CD1 3.3Å; R409-E585 PolarHBondContact NH1-O 3.19Å; R409-V586 HydrophobicContact CG-CG2 3.67Å
410V96.8Very high91.6Very high0 Ų050.6 Ų50.60%026%0.263CS..EExtended strand (participates in β ladder)trans-126.4130.9178.2-175.30000107.5H423 V437 L456V410-H423 VanDerWaalsContact CB-CE1 3.47Å; V410-H423 WeakPolarHBondContact CB-CE1 3.45Å; V410-H423 WeakPolarHBondContact CB-NE2 3.34Å; V410-H423 WeakPolarHBondContact CG1-CE1 3.44Å; V410-H423 PolarHBondContact N-O 2.6Å; V410-H423 PolarHBondContact O-N 3.08Å; V410-V437 HydrophobicContact CG2-CG2 4.42Å; V410-L456 HydrophobicContact CB-CB 4.31Å; V410-L456 HydrophobicContact CG1-CB 4.21Å; V410-L456 HydrophobicContact CG2-CB 3.92Å; V410-L456 HydrophobicContact CG2-CD1 4.13Å
411I97.3Very high91.9Very high1 Ų153.2 Ų53.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-70.7123.4168.2-59.3170.6000106.6T420 L456 L457 G458 L558 L566 L568 L573I411-T420 HydrophobicContact CG2-CG2 3.74Å; I411-L456 PolarHBondContact N-O 3.05Å; I411-L457 HydrophobicContact CB-CD1 3.75Å; I411-L457 HydrophobicContact CG2-CD1 3.72Å; I411-L457 CarbonylContact O-C 3.58Å; I411-L457 WeakPolarHBondContact O-CA 3.02Å; I411-G458 PolarHBondContact O-N 3.25Å; I411-L558 HydrophobicContact CG2-CD2 4.2Å; I411-L566 HydrophobicContact CG1-CB 3.9Å; I411-L566 WeakPolarHBondContact CG2-O 3.32Å; I411-L568 HydrophobicContact CD1-CB 4.06Å; I411-L573 HydrophobicContact CD1-CD1 4.06Å; I411-L573 HydrophobicContact CG1-CD1 4.08Å
412D95.1Very high92Very high27 Ų2747.5 Ų47.514%0.14425%0.254CS..EExtended strand (participates in β ladder)trans-106.5116.3-179.7-143.5-2.3000110T420 H421 H423 R434D412-T420 WeakPolarHBondContact O-CA 3.37Å; D412-T420 WeakPolarHBondContact O-CB 3.32Å; D412-H421 HydrophobicContact CB-CB 4Å; D412-H421 PolarHBondContact N-O 3.22Å; D412-H421 PolarHBondContact O-N 3.48Å; D412-H423 IonicContact OD1-CE1 3.51Å; D412-H423 IonicContact OD1-ND1 2.8Å; D412-H423 IonicContact OD2-CE1 3.6Å; D412-H423 IonicContact OD2-CG 3.37Å; D412-H423 IonicContact OD2-ND1 3.53Å; D412-H423 PolarHBondContact OD2-ND1 3.2Å; D412-R434 IonicContact OD1-NH2 2.92Å; D412-R434 IonicContact OD2-NH1 3.03Å; D412-R434 PolarHBondContact OD2-NH1 2.81Å
413V94.3Very high91.9Very high10 Ų1047.6 Ų47.66%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-78.2135.3-179.2-179.60000110.3L457 G458 F460 Q554 L558V413-L457 HydrophobicContact CG2-CD1 3.53Å; V413-L457 HydrophobicContact CG2-CD2 4.32Å; V413-L457 HydrophobicContact CG2-CG 4.04Å; V413-G458 PolarHBondContact N-O 3.38Å; V413-F460 HydrophobicContact CG2-CB 4.26Å; V413-F460 HydrophobicContact CG2-CD2 4.3Å; V413-Q554 HydrophobicContact CG1-CG 3.72Å; V413-L558 HydrophobicContact CG2-CD2 4.02Å
414I88.9Confident91.9Very high35 Ų3546.5 Ų46.518%0.17925%0.25CS..  trans-107.8122.2168.6-52.5172.5000106.6N416 E417 I419 H421I414-N416 PolarHBondContact O-N 2.81Å; I414-E417 HydrophobicContact CB-CB 4.16Å; I414-E417 HydrophobicContact CG2-CB 4.13Å; I414-E417 HydrophobicContact CG2-CG 4.03Å; I414-E417 PolarHBondContact O-N 2.89Å; I414-I419 HydrophobicContact CD1-CD1 4.32Å; I414-I419 HydrophobicContact CD1-CG1 4.22Å; I414-H421 VanDerWaalsContact CD1-CE1 3.42Å; I414-H421 WeakPolarHBondContact CD1-CE1 3.4Å; I414-H421 WeakPolarHBondContact CD1-NE2 3.5Å
415H85.1Confident91.9Very high85 Ų8543 Ų4339%0.39423%0.228SC..THydrogen-bonded Turntrans-65133.8-177.1-67.5-170.2000110.4E417 G459H415-E417 VanDerWaalsContact C-N 3.28Å; H415-E417 PolarHBondContact O-N 2.82Å; H415-G459 PolarHBondContact NE2-O 2.92Å
416N78.4Confident92Very high67 Ų6742.6 Ų42.636%0.35821%0.212SC..THydrogen-bonded Turntrans65.724.9-178.9-49.1-50.8000114.7A260 I414A260-N416 CarbonylContact O-C 3.17Å; A260-N416 VanDerWaalsContact O-CA 3.24Å; A260-N416 WeakPolarHBondContact O-CA 3.38Å; I414-N416 PolarHBondContact O-N 2.81Å
417E83.2Confident92Very high75 Ų7540.8 Ų40.835%0.3520%0.203SC..  trans-133.7147.2170.9-63.5-170.4-149.700110.7I414 H415 I419 Q554I414-E417 HydrophobicContact CB-CB 4.16Å; I414-E417 HydrophobicContact CG2-CB 4.13Å; I414-E417 HydrophobicContact CG2-CG 4.03Å; I414-E417 PolarHBondContact O-N 2.89Å; H415-E417 VanDerWaalsContact C-N 3.28Å; H415-E417 PolarHBondContact O-N 2.82Å; E417-I419 HydrophobicContact CB-CG1 4.11Å; E417-I419 WeakPolarHBondContact OE2-CD1 3.39Å; E417-I419 VanDerWaalsContact OE2-CG1 3.29Å; E417-I419 WeakPolarHBondContact OE2-CG1 3.24Å; E417-Q554 PolarHBondContact O-NE2 3.1Å
418L85.8Confident91.9Very high9 Ų938.6 Ų38.65%0.04720%0.202CC..SBendtrans-81.8-25.9175.9-51.9-171.5000112A260 A261 F557 I563 K567A260-L418 HydrophobicContact CB-CD2 3.81Å; A261-L418 HydrophobicContact CB-CD1 3.93Å; A261-L418 HydrophobicContact CB-CD2 3.92Å; A261-L418 HydrophobicContact CB-CG 3.77Å; L418-F557 HydrophobicContact CB-CD1 4.46Å; L418-F557 HydrophobicContact CD1-CD1 4.07Å; L418-F557 HydrophobicContact CD1-CE1 3.72Å; L418-F557 HydrophobicContact CD1-CZ 3.98Å; L418-F557 HydrophobicContact CD2-CB 4.49Å; L418-F557 HydrophobicContact CD2-CD1 3.98Å; L418-F557 HydrophobicContact CD2-CD2 3.46Å; L418-F557 VanDerWaalsContact CD2-CD2 3.46Å; L418-F557 HydrophobicContact CD2-CE1 4.02Å; L418-F557 HydrophobicContact CD2-CE2 3.51Å; L418-F557 HydrophobicContact CD2-CG 3.7Å; L418-F557 HydrophobicContact CD2-CZ 3.78Å; L418-F557 HydrophobicContact CG-CD1 4.39Å; L418-F557 HydrophobicContact CG-CE1 4.41Å; L418-I563 HydrophobicContact CB-CD1 3.82Å; L418-I563 HydrophobicContact CB-CG2 4.12Å; L418-I563 HydrophobicContact CD1-CD1 3.81Å; L418-I563 HydrophobicContact CG-CD1 4.47Å; L418-I563 WeakPolarHBondContact O-CG2 3.17Å; L418-K567 PolarHBondContact O-NZ 3.01Å
419I89.4Confident91.6Very high26 Ų2646.6 Ų46.613%0.13324%0.24CC..  trans-70.6149.3176.463.4161.9000110.5Y238 I414 E417 I563 P564Y238-I419 HydrophobicContact CE2-CD1 4.31Å; I414-I419 HydrophobicContact CD1-CD1 4.32Å; I414-I419 HydrophobicContact CD1-CG1 4.22Å; E417-I419 HydrophobicContact CB-CG1 4.11Å; E417-I419 WeakPolarHBondContact OE2-CD1 3.39Å; E417-I419 VanDerWaalsContact OE2-CG1 3.29Å; E417-I419 WeakPolarHBondContact OE2-CG1 3.24Å; I419-I563 HydrophobicContact CG2-CG2 3.94Å; I419-P564 CarbonylContact C-O 3.36Å; I419-P564 VanDerWaalsContact CA-O 3.22Å; I419-P564 WeakPolarHBondContact CA-O 3.27Å; I419-P564 HydrophobicContact CG2-CG 4.06Å
420T92.5Very high91.3Very high4 Ų451.8 Ų51.83%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-119.2152.5174.252.20000109.6I411 D412 L558 P564 A565 L566 K567I411-T420 HydrophobicContact CG2-CG2 3.74Å; D412-T420 WeakPolarHBondContact O-CA 3.37Å; D412-T420 WeakPolarHBondContact O-CB 3.32Å; T420-L558 HydrophobicContact CG2-CD2 4.09Å; T420-P564 PolarHBondContact N-O 2.93Å; T420-P564 PolarHBondContact OG1-O 3.45Å; T420-A565 VanDerWaalsContact O-CB 3.26Å; T420-A565 WeakPolarHBondContact O-CB 3.47Å; T420-A565 PolarHBondContact O-N 2.77Å; T420-A565 PolarHBondContact OG1-N 2.73Å; T420-A565 VanDerWaalsContact OG1-N 3.12Å; T420-L566 PolarHBondContact OG1-N 3.23Å; T420-L566 PolarHBondContact OG1-O 3.09Å; T420-K567 PolarHBondContact OG1-NZ 2.9Å
421H91.5Very high91Very high108 Ų10852.7 Ų52.750%0.528%0.281SS..EExtended strand (participates in β ladder)trans-90.9171.6161.5-62.9151.7000110.4D412 I414D412-H421 HydrophobicContact CB-CB 4Å; D412-H421 PolarHBondContact N-O 3.22Å; D412-H421 PolarHBondContact O-N 3.48Å; I414-H421 VanDerWaalsContact CD1-CE1 3.42Å; I414-H421 WeakPolarHBondContact CD1-CE1 3.4Å; I414-H421 WeakPolarHBondContact CD1-NE2 3.5Å
422S91.1Very high90.9Very high65 Ų6554.3 Ų54.346%0.45529%0.288SS..EExtended strand (participates in β ladder)trans-118.5132.3166.5179.60000109L566S422-L566 WeakPolarHBondContact OG-CD1 3.47Å
423H91.7Very high90.8Very high33 Ų3357.9 Ų57.915%0.15331%0.307CS..EExtended strand (participates in β ladder)trans-130.1170.2163.772-93.5000110.6V410 D412 R434V410-H423 VanDerWaalsContact CB-CE1 3.47Å; V410-H423 WeakPolarHBondContact CB-CE1 3.45Å; V410-H423 WeakPolarHBondContact CB-NE2 3.34Å; V410-H423 WeakPolarHBondContact CG1-CE1 3.44Å; V410-H423 PolarHBondContact N-O 2.6Å; V410-H423 PolarHBondContact O-N 3.08Å; D412-H423 IonicContact OD1-CE1 3.51Å; D412-H423 IonicContact OD1-ND1 2.8Å; D412-H423 IonicContact OD2-CE1 3.6Å; D412-H423 IonicContact OD2-CG 3.37Å; D412-H423 IonicContact OD2-ND1 3.53Å; D412-H423 PolarHBondContact OD2-ND1 3.2Å; H423-R434 PolarHBondContact CE1-NH1 3.24Å; H423-R434 PolarHBondContact ND1-NH1 3.33Å; H423-R434 PolarHBondContact NE2-NH1 3.36Å; H423-R434 VanDerWaalsContact NE2-NH1 3.19Å
424S94Very high90.7Very high51 Ų5161.4 Ų61.436%0.35732%0.32SS..EExtended strand (participates in β ladder)trans-113.2137.1171.766.80000110.6Y408Y408-S424 CarbonylContact O-C 3.55Å; Y408-S424 WeakPolarHBondContact O-CA 3.48Å
425S95.2Very high90.7Very high0 Ų066.4 Ų66.40%035%0.347CS..EExtended strand (participates in β ladder)trans-116.6139.6174.5175.20000110.2R407 Y408 F432 D433R407-S425 WeakPolarHBondContact CA-O 3.4Å; Y408-S425 PolarHBondContact N-O 2.77Å; Y408-S425 PolarHBondContact O-N 3.47Å; S425-F432 WeakPolarHBondContact OG-CB 3.11Å; S425-F432 VanDerWaalsContact OG-CD1 3.28Å; S425-F432 WeakPolarHBondContact OG-CD1 2.99Å; S425-D433 WeakPolarHBondContact CA-OD1 3.44Å; S425-D433 WeakPolarHBondContact CB-OD1 3.2Å; S425-D433 PolarHBondContact OG-OD1 3.33Å
426V95.7Very high91.1Very high52 Ų5264 Ų6432%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-86.6129.8178.2-179.90000109.1K406 R407 F432 D433K406-V426 WeakPolarHBondContact O-CA 3.38Å; R407-V426 HydrophobicContact CG-CG2 3.65Å; V426-F432 WeakPolarHBondContact O-CA 3.4Å; V426-D433 HydrophobicContact CB-CB 4.47Å; V426-D433 PolarHBondContact N-OD1 3.34Å; V426-D433 PolarHBondContact N-OD2 3.11Å; V426-D433 PolarHBondContact O-N 2.69Å
427Y96.2Very high91.9Very high54 Ų5461.3 Ų61.321%0.21232%0.322CS..EExtended strand (participates in β ladder)trans-87.1134.7172.1-172.2-103.4000111.1F402 P404 G405 K406 F432F402-Y427 HydrophobicContact CB-CD1 3.35Å; F402-Y427 HydrophobicContact CB-CD2 3.68Å; F402-Y427 HydrophobicContact CB-CE1 3.52Å; F402-Y427 HydrophobicContact CB-CE2 3.84Å; F402-Y427 HydrophobicContact CB-CG 3.43Å; F402-Y427 VanDerWaalsContact CB-CG 3.43Å; F402-Y427 HydrophobicContact CD2-CD2 4.11Å; F402-Y427 AromaticContact CD2-CE2 3.81Å; F402-Y427 HydrophobicContact CD2-CE2 3.81Å; F402-Y427 HydrophobicContact CG-CD1 4.47Å; F402-Y427 AromaticContact CG-CD2 3.97Å; F402-Y427 HydrophobicContact CG-CD2 3.97Å; F402-Y427 HydrophobicContact CG-CE2 4.09Å; F402-Y427 HydrophobicContact CG-CG 4.17Å; P404-Y427 CarbonylContact C-O 3.58Å; P404-Y427 WeakPolarHBondContact CA-O 3.21Å; P404-Y427 HydrophobicContact CG-CD1 4.32Å; P404-Y427 HydrophobicContact CG-CE1 4.28Å; G405-Y427 PolarHBondContact N-O 3.48Å; K406-Y427 PolarHBondContact O-N 3.24Å; Y427-F432 HydrophobicContact CD2-CD1 4.15Å; Y427-F432 HydrophobicContact CD2-CD2 4.18Å; Y427-F432 AromaticContact CD2-CE1 3.98Å; Y427-F432 HydrophobicContact CD2-CE1 3.98Å; Y427-F432 HydrophobicContact CD2-CE2 4Å; Y427-F432 HydrophobicContact CD2-CG 4.25Å; Y427-F432 AromaticContact CD2-CZ 3.89Å; Y427-F432 HydrophobicContact CD2-CZ 3.89Å; Y427-F432 HydrophobicContact CE2-CE2 4.47Å; Y427-F432 HydrophobicContact CG-CE1 4.44Å
428S94.5Very high92.5Very high46 Ų4657.8 Ų57.832%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-124.8176.117676.30000110.8N430 G431S428-N430 PolarHBondContact O-N 2.9Å; S428-N430 VanDerWaalsContact O-N 3.13Å; S428-N430 PolarHBondContact OG-N 3.24Å; S428-G431 PolarHBondContact N-O 3Å; S428-G431 PolarHBondContact O-N 2.76Å; S428-G431 PolarHBondContact OG-O 3.07Å
429E90.6Very high93.1Very high177 Ų17760.2 Ų60.283%0.82732%0.317SS*.THydrogen-bonded Turntrans-60-21.1173.4-63.7-167.9170.200113.3P404P404-E429 HydrophobicContact CG-CG 4.39Å
430N89.4Confident93.5Very high163 Ų16359 Ų5987%0.87231%0.31SS*.THydrogen-bonded Turntrans-97.48.9178.4-61.7-37.4000113.3S428S428-N430 PolarHBondContact O-N 2.9Å; S428-N430 VanDerWaalsContact O-N 3.13Å; S428-N430 PolarHBondContact OG-N 3.24Å
431G91.6Very high93.8Very high19 Ų1958.9 Ų58.920%0.19631%0.309CS..EExtended strand (participates in β ladder)trans100.4-163.8-17300000113.3S428S428-G431 PolarHBondContact N-O 3Å; S428-G431 PolarHBondContact O-N 2.76Å; S428-G431 PolarHBondContact OG-O 3.07Å
432F94.5Very high94.1Very high34 Ų3453.7 Ų53.715%0.14929%0.285CS..EExtended strand (participates in β ladder)trans-69.8150.4179.8-73-72.1000112.4F402 Y408 S425 V426 Y427 R434 V437 L456F402-F432 AromaticContact CD1-CZ 3.76Å; F402-F432 HydrophobicContact CD1-CZ 3.76Å; F402-F432 HydrophobicContact CD2-CE2 4.36Å; F402-F432 HydrophobicContact CD2-CZ 4.25Å; F402-F432 HydrophobicContact CE1-CE2 4.29Å; F402-F432 AromaticContact CE1-CZ 3.62Å; F402-F432 HydrophobicContact CE1-CZ 3.62Å; F402-F432 HydrophobicContact CE2-CE2 4.04Å; F402-F432 HydrophobicContact CE2-CZ 4.12Å; F402-F432 HydrophobicContact CG-CZ 4.07Å; F402-F432 AromaticContact CZ-CE2 3.98Å; F402-F432 HydrophobicContact CZ-CE2 3.98Å; F402-F432 AromaticContact CZ-CZ 3.79Å; F402-F432 HydrophobicContact CZ-CZ 3.79Å; Y408-F432 AromaticContact CD2-CE1 3.87Å; Y408-F432 HydrophobicContact CD2-CE1 3.87Å; Y408-F432 HydrophobicContact CD2-CZ 4.44Å; Y408-F432 HydrophobicContact CG-CE1 4.24Å; S425-F432 WeakPolarHBondContact OG-CB 3.11Å; S425-F432 VanDerWaalsContact OG-CD1 3.28Å; S425-F432 WeakPolarHBondContact OG-CD1 2.99Å; V426-F432 WeakPolarHBondContact O-CA 3.4Å; Y427-F432 HydrophobicContact CD2-CD1 4.15Å; Y427-F432 HydrophobicContact CD2-CD2 4.18Å; Y427-F432 AromaticContact CD2-CE1 3.98Å; Y427-F432 HydrophobicContact CD2-CE1 3.98Å; Y427-F432 HydrophobicContact CD2-CE2 4Å; Y427-F432 HydrophobicContact CD2-CG 4.25Å; Y427-F432 AromaticContact CD2-CZ 3.89Å; Y427-F432 HydrophobicContact CD2-CZ 3.89Å; Y427-F432 HydrophobicContact CE2-CE2 4.47Å; Y427-F432 HydrophobicContact CG-CE1 4.44Å; F432-R434 PolarHBondContact O-N 2.9Å; F432-V437 HydrophobicContact CB-CB 4.13Å; F432-V437 HydrophobicContact CB-CG1 4.39Å; F432-V437 HydrophobicContact CB-CG2 4.12Å; F432-V437 HydrophobicContact CD2-CB 4.21Å; F432-V437 HydrophobicContact CD2-CG1 3.65Å; F432-V437 HydrophobicContact CE2-CG1 4.07Å; F432-V437 HydrophobicContact CG-CB 4.26Å; F432-V437 HydrophobicContact CG-CG1 3.97Å; F432-V437 HydrophobicContact CG-CG2 4.42Å; F432-L456 HydrophobicContact CE1-CD1 3.68Å; F432-L456 HydrophobicContact CE2-CD1 4.06Å; F432-L456 HydrophobicContact CE2-CD2 3.73Å; F432-L456 HydrophobicContact CZ-CD1 3.36Å; F432-L456 HydrophobicContact CZ-CD2 3.83Å; F432-L456 HydrophobicContact CZ-CG 4.25Å
433D93.4Very high94.5Very high103 Ų10350.6 Ų50.655%0.55126%0.264SS*.SBendtrans-68.7-19.7178.762.6-16.9000113.9S425 V426S425-D433 WeakPolarHBondContact CA-OD1 3.44Å; S425-D433 WeakPolarHBondContact CB-OD1 3.2Å; S425-D433 PolarHBondContact OG-OD1 3.33Å; V426-D433 HydrophobicContact CB-CB 4.47Å; V426-D433 PolarHBondContact N-OD1 3.34Å; V426-D433 PolarHBondContact N-OD2 3.11Å; V426-D433 PolarHBondContact O-N 2.69Å
434R91.6Very high94.7Very high84 Ų8449.1 Ų49.132%0.31726%0.257SS..SBendtrans-102.8131.3169.1-82-177.468.81640.8110.2D412 H423 F432 D436 V437D412-R434 IonicContact OD1-NH2 2.92Å; D412-R434 IonicContact OD2-NH1 3.03Å; D412-R434 PolarHBondContact OD2-NH1 2.81Å; H423-R434 PolarHBondContact CE1-NH1 3.24Å; H423-R434 PolarHBondContact ND1-NH1 3.33Å; H423-R434 PolarHBondContact NE2-NH1 3.36Å; H423-R434 VanDerWaalsContact NE2-NH1 3.19Å; F432-R434 PolarHBondContact O-N 2.9Å; R434-D436 WeakPolarHBondContact CB-OD1 3.09Å; R434-D436 IonicContact CZ-OD1 3.52Å; R434-D436 IonicContact CZ-OD2 3.67Å; R434-D436 IonicContact NE-OD1 2.99Å; R434-D436 PolarHBondContact NE-OD1 2.81Å; R434-D436 IonicContact NE-OD2 3.32Å; R434-D436 IonicContact NH2-OD1 3.7Å; R434-D436 PolarHBondContact NH2-OD1 3.44Å; R434-D436 IonicContact NH2-OD2 2.78Å; R434-D436 PolarHBondContact NH2-OD2 3.37Å; R434-V437 HydrophobicContact CB-CG2 3.76Å
435D90.4Very high94.9Very high140 Ų14046.7 Ų46.775%0.74924%0.24SC*.THydrogen-bonded Turntrans-76.1-26.3-178.756.8-12.5000113.3V437 R483D435-V437 PolarHBondContact O-N 3.18Å; D435-R483 PolarHBondContact O-NH1 2.91Å; D435-R483 PolarHBondContact O-NH2 3.39Å
436D93.5Very high95Very high34 Ų3448.6 Ų48.618%0.18225%0.247CC..THydrogen-bonded Turntrans-76.1-4.4179.675.6-50.7000114.5R434 S438 G459R434-D436 WeakPolarHBondContact CB-OD1 3.09Å; R434-D436 IonicContact CZ-OD1 3.52Å; R434-D436 IonicContact CZ-OD2 3.67Å; R434-D436 IonicContact NE-OD1 2.99Å; R434-D436 PolarHBondContact NE-OD1 2.81Å; R434-D436 IonicContact NE-OD2 3.32Å; R434-D436 IonicContact NH2-OD1 3.7Å; R434-D436 PolarHBondContact NH2-OD1 3.44Å; R434-D436 IonicContact NH2-OD2 2.78Å; R434-D436 PolarHBondContact NH2-OD2 3.37Å; D436-S438 PolarHBondContact O-N 3.36Å; D436-G459 PolarHBondContact OD2-N 2.77Å
437V95.2Very high95Very high10 Ų1047.6 Ų47.66%0.06125%0.248CC..  trans-69.5112.6179178.10000110.7V410 F432 R434 D435 L456 L457 R483V410-V437 HydrophobicContact CG2-CG2 4.42Å; F432-V437 HydrophobicContact CB-CB 4.13Å; F432-V437 HydrophobicContact CB-CG1 4.39Å; F432-V437 HydrophobicContact CB-CG2 4.12Å; F432-V437 HydrophobicContact CD2-CB 4.21Å; F432-V437 HydrophobicContact CD2-CG1 3.65Å; F432-V437 HydrophobicContact CE2-CG1 4.07Å; F432-V437 HydrophobicContact CG-CB 4.26Å; F432-V437 HydrophobicContact CG-CG1 3.97Å; F432-V437 HydrophobicContact CG-CG2 4.42Å; R434-V437 HydrophobicContact CB-CG2 3.76Å; D435-V437 PolarHBondContact O-N 3.18Å; V437-L456 HydrophobicContact CG1-CB 4.18Å; V437-L456 HydrophobicContact CG1-CD2 4Å; V437-L456 HydrophobicContact CG1-CG 4.46Å; V437-L457 CarbonylContact C-O 3.55Å; V437-L457 WeakPolarHBondContact CA-O 3.45Å; V437-R483 VanDerWaalsContact C-NH1 3.26Å; V437-R483 PolarHBondContact O-NH1 2.94Å
438S96Very high94.9Very high1 Ų150.7 Ų50.71%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-106.9163.1174.8-57.50000111.2D436 L457 L462 R483D436-S438 PolarHBondContact O-N 3.36Å; S438-L457 PolarHBondContact N-O 3.41Å; S438-L457 PolarHBondContact O-N 2.98Å; S438-L462 PolarHBondContact OG-O 3.34Å; S438-R483 WeakPolarHBondContact OG-CD 3.4Å; S438-R483 PolarHBondContact OG-NH1 3.36Å
439F97Very high94.7Very high61 Ų6159.2 Ų59.227%0.26829%0.289SS..EExtended strand (participates in β ladder)trans-88140.2173.3-57.3-66000110.1L400 F402 L456 I481 G482 M488L400-F439 HydrophobicContact CD1-CD1 4Å; L400-F439 HydrophobicContact CD1-CE1 4.43Å; F402-F439 AromaticContact CE2-CE1 3.82Å; F402-F439 HydrophobicContact CE2-CE1 3.82Å; F402-F439 HydrophobicContact CE2-CZ 4.45Å; F402-F439 AromaticContact CZ-CE1 3.93Å; F402-F439 HydrophobicContact CZ-CE1 3.93Å; F439-L456 HydrophobicContact CD1-CD2 3.9Å; F439-L456 HydrophobicContact CE1-CD2 4.03Å; F439-I481 CarbonylContact O-C 3.58Å; F439-I481 VanDerWaalsContact O-CA 3.25Å; F439-I481 WeakPolarHBondContact O-CA 3.43Å; F439-I481 WeakPolarHBondContact O-CG2 3.29Å; F439-G482 PolarHBondContact N-O 2.82Å; F439-G482 PolarHBondContact O-N 3.24Å; F439-M488 HydrophobicContact CB-CE 4.15Å; F439-M488 HydrophobicContact CB-SD 3.73Å
440I98.1Very high94.9Very high1 Ų153.9 Ų53.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-126.1141.1171.1-178.8174000108.6G455 L457 V479 V480 I481 L558 L568I440-G455 VanDerWaalsContact CG2-C 3.48Å; I440-G455 PolarHBondContact N-O 3.24Å; I440-G455 VanDerWaalsContact N-O 3.09Å; I440-G455 PolarHBondContact O-N 3.46Å; I440-L457 HydrophobicContact CB-CB 4.23Å; I440-L457 HydrophobicContact CG2-CB 4.03Å; I440-V479 HydrophobicContact CD1-CG2 4.21Å; I440-V479 HydrophobicContact CG1-CG2 4.27Å; I440-V480 CarbonylContact C-O 3.52Å; I440-V480 VanDerWaalsContact CA-O 3.3Å; I440-V480 WeakPolarHBondContact CA-O 3.21Å; I440-I481 HydrophobicContact CB-CG1 4.35Å; I440-I481 HydrophobicContact CD1-CG1 4.33Å; I440-I481 HydrophobicContact CG1-CG1 4.12Å; I440-L558 HydrophobicContact CD1-CB 3.87Å; I440-L558 HydrophobicContact CD1-CD1 3.76Å; I440-L558 HydrophobicContact CD1-CG 4.45Å; I440-L568 HydrophobicContact CB-CD2 4.44Å; I440-L568 HydrophobicContact CG1-CD2 4.03Å; I440-L568 HydrophobicContact CG2-CD2 3.99Å
441A98.5Very high95.2Very high0 Ų050 Ų500%026%0.256CS..EExtended strand (participates in β ladder)trans-137.6146.117100000111.7F398 L443 A453 V479 V480 M488F398-A441 HydrophobicContact CD1-CB 3.73Å; F398-A441 HydrophobicContact CE1-CB 3.73Å; A441-L443 HydrophobicContact CB-CD1 4.28Å; A441-A453 CarbonylContact C-O 3.58Å; A441-A453 WeakPolarHBondContact CA-O 3.46Å; A441-A453 WeakPolarHBondContact CB-O 3.41Å; A441-V479 WeakPolarHBondContact O-CA 3.4Å; A441-V480 HydrophobicContact CB-CG1 3.86Å; A441-V480 PolarHBondContact N-O 3.02Å; A441-V480 PolarHBondContact O-N 2.52Å; A441-M488 HydrophobicContact CB-CE 3.84Å
442V98.4Very high95.4Very high0 Ų050 Ų500%025%0.253CS..EExtended strand (participates in β ladder)trans-118.7126.8170.5178.40000109.2A453 N477 I478 V479 L568V442-A453 PolarHBondContact N-O 3.06Å; V442-A453 PolarHBondContact O-N 3.34Å; V442-N477 HydrophobicContact CG1-CB 3.7Å; V442-I478 CarbonylContact C-O 3.53Å; V442-I478 WeakPolarHBondContact CA-O 3.4Å; V442-V479 HydrophobicContact CG2-CB 4.26Å; V442-V479 HydrophobicContact CG2-CG2 4.11Å; V442-L568 HydrophobicContact CB-CG 4.41Å; V442-L568 HydrophobicContact CG2-CB 4.28Å; V442-L568 HydrophobicContact CG2-CD2 4.09Å; V442-L568 HydrophobicContact CG2-CG 4.06Å; V442-L568 VanDerWaalsContact CG2-O 3.26Å; V442-L568 WeakPolarHBondContact CG2-O 3.5Å
443L98.3Very high95.6Very high0 Ų048.9 Ų48.90%025%0.25CS..EExtended strand (participates in β ladder)trans-118.9119.2-172.9-54.285.9000110.3V393 F398 A441 R445 P452 N477 I478 V480 V492V393-L443 HydrophobicContact CG1-CD2 3.85Å; F398-L443 HydrophobicContact CE1-CD1 4.17Å; F398-L443 HydrophobicContact CE1-CD2 4.16Å; F398-L443 HydrophobicContact CE1-CG 4.49Å; F398-L443 HydrophobicContact CZ-CD2 4.08Å; A441-L443 HydrophobicContact CB-CD1 4.28Å; L443-R445 PolarHBondContact O-N 3.45Å; L443-P452 HydrophobicContact CD2-CB 4.28Å; L443-P452 HydrophobicContact CD2-CG 3.85Å; L443-P452 HydrophobicContact CG-CB 3.98Å; L443-P452 HydrophobicContact CG-CG 4.07Å; L443-N477 WeakPolarHBondContact O-CB 3.49Å; L443-I478 HydrophobicContact CB-CB 4.24Å; L443-I478 HydrophobicContact CD1-CB 4.35Å; L443-I478 HydrophobicContact CD1-CG2 4.22Å; L443-I478 WeakPolarHBondContact CD1-O 3.37Å; L443-I478 PolarHBondContact N-O 3.24Å; L443-I478 PolarHBondContact O-N 3.16Å; L443-V480 HydrophobicContact CD1-CG1 3.83Å; L443-V492 HydrophobicContact CD1-CG2 4.06Å; L443-V492 HydrophobicContact CD2-CG1 3.96Å; L443-V492 HydrophobicContact CD2-CG2 4.44Å
444E97.7Very high95.8Very high1 Ų145.3 Ų45.31%0.00523%0.233CC..  trans-52.9125.3171.2-175.9-84.6143.300110.9V161 R390 Y446 G447 Q448 R449 L450 N477V161-E444 HydrophobicContact CB-CG 3.89Å; V161-E444 HydrophobicContact CG1-CG 3.68Å; V161-E444 HydrophobicContact CG2-CG 4.22Å; R390-E444 WeakPolarHBondContact CD-O 3.34Å; R390-E444 PolarHBondContact NH1-O 3.24Å; E444-Y446 WeakPolarHBondContact OE1-CA 3.31Å; E444-Y446 WeakPolarHBondContact OE1-CB 3.36Å; E444-Y446 PolarHBondContact OE1-N 2.68Å; E444-G447 PolarHBondContact OE1-N 3.07Å; E444-Q448 VanDerWaalsContact CD-N 3.3Å; E444-Q448 HydrophobicContact CG-CB 4.2Å; E444-Q448 PolarHBondContact OE1-N 3.43Å; E444-Q448 PolarHBondContact OE2-N 2.78Å; E444-Q448 VanDerWaalsContact OE2-N 3.09Å; E444-R449 PolarHBondContact OE2-N 2.55Å; E444-L450 HydrophobicContact CB-CB 3.97Å; E444-L450 HydrophobicContact CB-CD1 4.29Å; E444-L450 HydrophobicContact CB-CG 4.32Å; E444-L450 HydrophobicContact CG-CB 4.43Å; E444-L450 HydrophobicContact CG-CD1 4.21Å; E444-L450 HydrophobicContact CG-CG 4.28Å; E444-L450 PolarHBondContact OE2-N 3.41Å; E444-N477 VanDerWaalsContact CA-OD1 3.26Å; E444-N477 WeakPolarHBondContact CA-OD1 3.22Å
445R97.8Very high96Very high0 Ų041.3 Ų41.30%022%0.218CC..  trans-112-0.5-173.675.3167.8-172.8173.4-11.2115.7I388 A389 L443 H476 N477 I478 A519I388-R445 HydrophobicContact CG2-CB 4.44Å; A389-R445 CarbonylContact C-O 3.53Å; A389-R445 WeakPolarHBondContact CA-O 3.32Å; A389-R445 PolarHBondContact N-O 2.9Å; L443-R445 PolarHBondContact O-N 3.45Å; R445-H476 WeakPolarHBondContact CD-O 3.38Å; R445-H476 PolarHBondContact NE-O 2.76Å; R445-H476 PolarHBondContact NH2-O 2.88Å; R445-N477 PolarHBondContact N-OD1 3.44Å; R445-N477 VanDerWaalsContact N-OD1 3.07Å; R445-I478 HydrophobicContact CB-CD1 4.17Å; R445-I478 HydrophobicContact CB-CG1 4.15Å; R445-A519 PolarHBondContact NH1-O 3.21Å; R445-A519 VanDerWaalsContact NH1-O 3.16Å; R445-A519 PolarHBondContact NH2-O 3.45Å
446Y97.3Very high96.4Very high40 Ų4034.7 Ų34.716%0.15718%0.183CC..SBendtrans-97.87.2-169.7-57.4-61.3000114.5V125 V161 N162 G163 E444 S475 H476 N477V125-Y446 HydrophobicContact CG1-CE1 4.21Å; V161-Y446 HydrophobicContact CG1-CD2 4.3Å; N162-Y446 VanDerWaalsContact C-CD2 3.48Å; G163-Y446 VanDerWaalsContact CA-CG 3.48Å; G163-Y446 VanDerWaalsContact CA-CZ 3.45Å; E444-Y446 WeakPolarHBondContact OE1-CA 3.31Å; E444-Y446 WeakPolarHBondContact OE1-CB 3.36Å; E444-Y446 PolarHBondContact OE1-N 2.68Å; Y446-S475 WeakPolarHBondContact CE2-O 2.96Å; Y446-S475 VanDerWaalsContact CZ-O 3.23Å; Y446-S475 PolarHBondContact OH-O 2.88Å; Y446-H476 PolarHBondContact OH-O 2.53Å; Y446-N477 WeakPolarHBondContact CE2-OD1 3.46Å
447G95.4Very high96.5Very high32 Ų3233.1 Ų33.133%0.3317%0.174SC..SBendtrans91.911.8171.600000115.1A389 E444 R449A389-G447 VanDerWaalsContact O-CA 3.27Å; A389-G447 WeakPolarHBondContact O-CA 3.35Å; E444-G447 PolarHBondContact OE1-N 3.07Å; G447-R449 PolarHBondContact O-N 3.19Å
448Q93.3Very high96.6Very high118 Ų11832.6 Ų32.655%0.55117%0.171SC*.SBendtrans-73.7-12.6171.4-56.4-162.516.500113V161 E444 L450V161-Q448 HydrophobicContact CG1-CG 4.13Å; V161-Q448 VanDerWaalsContact CG1-NE2 3.26Å; E444-Q448 VanDerWaalsContact CD-N 3.3Å; E444-Q448 HydrophobicContact CG-CB 4.2Å; E444-Q448 PolarHBondContact OE1-N 3.43Å; E444-Q448 PolarHBondContact OE2-N 2.78Å; E444-Q448 VanDerWaalsContact OE2-N 3.09Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-L450 HydrophobicContact CB-CG 4.26Å; Q448-L450 PolarHBondContact O-N 2.95Å
449R91.5Very high96.5Very high226 Ų22633.6 Ų33.685%0.85318%0.181SC*.  trans63.136.4174.8-51.7178.7-176.6179.8-0.7112.6E444 G447E444-R449 PolarHBondContact OE2-N 2.55Å; G447-R449 PolarHBondContact O-N 3.19Å
450L94.7Very high96.4Very high64 Ų6430.7 Ų30.734%0.33517%0.168SC..PPolyproline II helixtrans-71.3145.8172.9-58-175.8000110.7V161 R390 E444 Q448V161-L450 HydrophobicContact CG2-CD1 3.59Å; R390-L450 PolarHBondContact NH1-O 3.07Å; R390-L450 VanDerWaalsContact NH1-O 3.11Å; R390-L450 PolarHBondContact NH2-O 2.91Å; E444-L450 HydrophobicContact CB-CB 3.97Å; E444-L450 HydrophobicContact CB-CD1 4.29Å; E444-L450 HydrophobicContact CB-CG 4.32Å; E444-L450 HydrophobicContact CG-CB 4.43Å; E444-L450 HydrophobicContact CG-CD1 4.21Å; E444-L450 HydrophobicContact CG-CG 4.28Å; E444-L450 PolarHBondContact OE2-N 3.41Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-L450 HydrophobicContact CB-CG 4.26Å; Q448-L450 PolarHBondContact O-N 2.95Å
451A94.7Very high96.3Very high81 Ų8131.3 Ų31.367%0.66918%0.176SC*.PPolyproline II helixtrans-63.9148.6169.300000109.8A453A451-A453 PolarHBondContact O-N 2.72Å
452P97.2Very high96.2Very high19 Ų1931.4 Ų31.412%0.12318%0.176CC..PPolyproline II helixtrans-55.6128.9175.2-26.737.2000112D397 F398 L443 C454D397-P452 HydrophobicContact CB-CG 4.09Å; F398-P452 HydrophobicContact CD1-CB 4.45Å; F398-P452 HydrophobicContact CE1-CB 4.37Å; F398-P452 HydrophobicContact CE1-CG 4.49Å; L443-P452 HydrophobicContact CD2-CB 4.28Å; L443-P452 HydrophobicContact CD2-CG 3.85Å; L443-P452 HydrophobicContact CG-CB 3.98Å; L443-P452 HydrophobicContact CG-CG 4.07Å; P452-C454 PolarHBondContact O-N 2.83Å
453A97.2Very high96.1Very high11 Ų1136.2 Ų36.29%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-74.6124.9164.200000107.9A441 V442 A451 L568 T569A441-A453 CarbonylContact C-O 3.58Å; A441-A453 WeakPolarHBondContact CA-O 3.46Å; A441-A453 WeakPolarHBondContact CB-O 3.41Å; V442-A453 PolarHBondContact N-O 3.06Å; V442-A453 PolarHBondContact O-N 3.34Å; A451-A453 PolarHBondContact O-N 2.72Å; A453-L568 HydrophobicContact CB-CD1 4.25Å; A453-T569 WeakPolarHBondContact CB-O 3.1Å
454C97.6Very high96Very high29 Ų2939.4 Ų39.420%0.19622%0.216CC..EExtended strand (participates in β ladder)trans-118.6143.4-174.6-63.70000110.8L400 P452L400-C454 HydrophobicContact CD1-CB 3.94Å; L400-C454 HydrophobicContact CD2-CB 3.57Å; L400-C454 HydrophobicContact CG-CB 3.8Å; P452-C454 PolarHBondContact O-N 2.83Å
455G96.9Very high96Very high0 Ų039.3 Ų39.30%022%0.216CC..EExtended strand (participates in β ladder)trans-151.3-173.3-178.600000112.9I440I440-G455 VanDerWaalsContact CG2-C 3.48Å; I440-G455 PolarHBondContact N-O 3.24Å; I440-G455 VanDerWaalsContact N-O 3.09Å; I440-G455 PolarHBondContact O-N 3.46Å
456L97.4Very high96Very high1 Ų139.3 Ų39.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-120.4140.6-179.6-60173.3000109.9F402 Y408 V410 I411 F432 V437 F439 L584F402-L456 HydrophobicContact CE1-CD1 4.29Å; F402-L456 HydrophobicContact CE1-CD2 4.25Å; F402-L456 HydrophobicContact CZ-CD2 3.89Å; Y408-L456 HydrophobicContact CG-CD1 4.45Å; V410-L456 HydrophobicContact CB-CB 4.31Å; V410-L456 HydrophobicContact CG1-CB 4.21Å; V410-L456 HydrophobicContact CG2-CB 3.92Å; V410-L456 HydrophobicContact CG2-CD1 4.13Å; I411-L456 PolarHBondContact N-O 3.05Å; F432-L456 HydrophobicContact CE1-CD1 3.68Å; F432-L456 HydrophobicContact CE2-CD1 4.06Å; F432-L456 HydrophobicContact CE2-CD2 3.73Å; F432-L456 HydrophobicContact CZ-CD1 3.36Å; F432-L456 HydrophobicContact CZ-CD2 3.83Å; F432-L456 HydrophobicContact CZ-CG 4.25Å; V437-L456 HydrophobicContact CG1-CB 4.18Å; V437-L456 HydrophobicContact CG1-CD2 4Å; V437-L456 HydrophobicContact CG1-CG 4.46Å; F439-L456 HydrophobicContact CD1-CD2 3.9Å; F439-L456 HydrophobicContact CE1-CD2 4.03Å; L456-L584 HydrophobicContact CD1-CD1 4.34Å; L456-L584 HydrophobicContact CG-CD1 4.16Å; L456-L584 HydrophobicContact CG-CD2 4.47Å
457L97Very high96.1Very high0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-129.3130.6-178.4-170.673.2000110.6I411 V413 V437 S438 I440 F460 I481 L558I411-L457 HydrophobicContact CB-CD1 3.75Å; I411-L457 HydrophobicContact CG2-CD1 3.72Å; I411-L457 CarbonylContact O-C 3.58Å; I411-L457 WeakPolarHBondContact O-CA 3.02Å; V413-L457 HydrophobicContact CG2-CD1 3.53Å; V413-L457 HydrophobicContact CG2-CD2 4.32Å; V413-L457 HydrophobicContact CG2-CG 4.04Å; V437-L457 CarbonylContact C-O 3.55Å; V437-L457 WeakPolarHBondContact CA-O 3.45Å; S438-L457 PolarHBondContact N-O 3.41Å; S438-L457 PolarHBondContact O-N 2.98Å; I440-L457 HydrophobicContact CB-CB 4.23Å; I440-L457 HydrophobicContact CG2-CB 4.03Å; L457-F460 HydrophobicContact CD2-CB 3.6Å; L457-F460 HydrophobicContact CD2-CD1 4.33Å; L457-F460 HydrophobicContact CD2-CD2 4.21Å; L457-F460 HydrophobicContact CD2-CG 3.8Å; L457-F460 HydrophobicContact CG-CB 4.13Å; L457-I481 HydrophobicContact CD2-CD1 3.36Å; L457-I481 HydrophobicContact CD2-CG1 3.87Å; L457-I481 HydrophobicContact CD2-CG2 3.9Å; L457-L558 HydrophobicContact CD1-CD1 3.86Å; L457-L558 HydrophobicContact CD1-CD2 4.1Å; L457-L558 HydrophobicContact CD2-CD1 3.82Å
458G95.9Very high96.3Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-118.5165.4172.400000110.9I411 V413 F460I411-G458 PolarHBondContact O-N 3.25Å; V413-G458 PolarHBondContact N-O 3.38Å; G458-F460 PolarHBondContact O-N 2.83Å; G458-F460 VanDerWaalsContact O-N 3.09Å
459G94.1Very high96.5Very high21 Ų2130.3 Ų30.322%0.21617%0.167CC..SBendtrans73.6-6.5177.600000115.6H415 D436 G461H415-G459 PolarHBondContact NE2-O 2.92Å; D436-G459 PolarHBondContact OD2-N 2.77Å; G459-G461 VanDerWaalsContact C-N 3.35Å; G459-G461 PolarHBondContact O-N 2.61Å
460F95.5Very high96.8Very high0 Ų019.5 Ų19.50%013%0.126CC..SBendtrans-76.1-19.7-178.3-168.1-109.4000113.9V413 L457 G458 L462 I481 L547 P548 P551 Q554 M555V413-F460 HydrophobicContact CG2-CB 4.26Å; V413-F460 HydrophobicContact CG2-CD2 4.3Å; L457-F460 HydrophobicContact CD2-CB 3.6Å; L457-F460 HydrophobicContact CD2-CD1 4.33Å; L457-F460 HydrophobicContact CD2-CD2 4.21Å; L457-F460 HydrophobicContact CD2-CG 3.8Å; L457-F460 HydrophobicContact CG-CB 4.13Å; G458-F460 PolarHBondContact O-N 2.83Å; G458-F460 VanDerWaalsContact O-N 3.09Å; F460-L462 HydrophobicContact CD1-CB 3.98Å; F460-I481 HydrophobicContact CD1-CD1 3.81Å; F460-I481 HydrophobicContact CD1-CG2 4.1Å; F460-I481 HydrophobicContact CD2-CD1 4.12Å; F460-I481 HydrophobicContact CE1-CD1 3.6Å; F460-I481 HydrophobicContact CE1-CG2 4.39Å; F460-I481 HydrophobicContact CE2-CD1 3.92Å; F460-I481 HydrophobicContact CG-CD1 4.08Å; F460-I481 HydrophobicContact CZ-CD1 3.66Å; F460-L547 HydrophobicContact CD1-CD2 3.93Å; F460-L547 HydrophobicContact CE1-CD2 3.8Å; F460-L547 WeakPolarHBondContact O-CD2 3.05Å; F460-P548 HydrophobicContact CD2-CG 4.24Å; F460-P548 HydrophobicContact CE2-CG 4.21Å; F460-P548 VanDerWaalsContact O-CD 3.31Å; F460-P548 WeakPolarHBondContact O-CD 3.48Å; F460-P551 HydrophobicContact CZ-CB 4.03Å; F460-Q554 HydrophobicContact CE2-CB 4.44Å; F460-Q554 HydrophobicContact CE2-CG 4.37Å; F460-M555 HydrophobicContact CE2-CG 3.96Å; F460-M555 HydrophobicContact CZ-CG 3.69Å; F460-M555 HydrophobicContact CZ-SD 3.97Å
461G95.4Very high97Very high15 Ų1517.3 Ų17.316%0.15512%0.115CC..  trans77.816.1175.900000115.5G459 G545 P546G459-G461 VanDerWaalsContact C-N 3.35Å; G459-G461 PolarHBondContact O-N 2.61Å; G461-G545 CarbonylContact O-C 3.55Å; G461-G545 WeakPolarHBondContact O-CA 3.06Å; G461-P546 WeakPolarHBondContact O-CD 3.4Å
462L96.7Very high97.1Very high1 Ų113.4 Ų13.41%0.0058%0.083CC..  trans-81.2119175.6-17270.8000110.5S438 F460 E464 L467 I481 R483 C544 L547S438-L462 PolarHBondContact OG-O 3.34Å; F460-L462 HydrophobicContact CD1-CB 3.98Å; L462-E464 VanDerWaalsContact CD1-O 3.27Å; L462-E464 WeakPolarHBondContact CD1-O 3.22Å; L462-L467 HydrophobicContact CD1-CD1 3.64Å; L462-I481 HydrophobicContact CD2-CB 4.47Å; L462-I481 HydrophobicContact CD2-CG2 3.77Å; L462-R483 HydrophobicContact CD2-CG 4.21Å; L462-R483 HydrophobicContact CG-CG 4.14Å; L462-R483 WeakPolarHBondContact O-CD 3.47Å; L462-C544 HydrophobicContact CD1-CB 3.64Å; L462-L547 HydrophobicContact CB-CD2 3.98Å; L462-L547 HydrophobicContact CD1-CD2 4.03Å
463N95.9Very high97Very high102 Ų10212.7 Ų12.755%0.5458%0.078SC..  trans-100.5-35.7-178.2-67.3-23.2000112.6R483 C544 P546N463-R483 PolarHBondContact O-NE 3.45Å; N463-C544 WeakPolarHBondContact CB-O 3.4Å; N463-C544 PolarHBondContact N-O 3.27Å; N463-P546 WeakPolarHBondContact ND2-CD 3.02Å
464E96.5Very high96.9Very high66 Ų6612.3 Ų12.331%0.3088%0.075SC..SBendtrans-147.5163.3179.157.5179.7133.100110.1L462 R506 C544L462-E464 VanDerWaalsContact CD1-O 3.27Å; L462-E464 WeakPolarHBondContact CD1-O 3.22Å; E464-R506 HydrophobicContact CG-CG 4.31Å; E464-R506 IonicContact OE1-CZ 3.3Å; E464-R506 IonicContact OE1-NE 2.9Å; E464-R506 PolarHBondContact OE1-NE 3.45Å; E464-R506 IonicContact OE1-NH2 3.6Å; E464-R506 PolarHBondContact OE1-NH2 3.4Å; E464-R506 IonicContact OE2-CZ 2.71Å; E464-R506 IonicContact OE2-NE 2.93Å; E464-R506 PolarHBondContact OE2-NE 3.47Å; E464-R506 IonicContact OE2-NH2 3.31Å; E464-C544 PolarHBondContact N-O 3.29Å; E464-C544 VanDerWaalsContact O-CB 3.32Å; E464-C544 WeakPolarHBondContact O-CB 3.25Å
465G97.9Very high96.9Very high0 Ų011 Ų110%07%0.066CC..SBendtrans81.9-166.9177.700000114.9G482 R483 E487 V505G465-G482 WeakPolarHBondContact O-CA 3.33Å; G465-R483 PolarHBondContact O-N 3.29Å; G465-E487 WeakPolarHBondContact CA-OE2 3.11Å; G465-E487 PolarHBondContact N-OE2 3.44Å; G465-V505 CarbonylContact C-O 3.5Å; G465-V505 WeakPolarHBondContact CA-O 3.47Å
466A98.5Very high97Very high0 Ų011 Ų110%07%0.066CC..EExtended strand (participates in β ladder)trans-149.1148.6175.900000111.9I481 E487 M488 A491 V505A466-I481 CarbonylContact C-O 3.58Å; A466-I481 WeakPolarHBondContact CA-O 3.4Å; A466-I481 WeakPolarHBondContact CB-O 3.44Å; A466-E487 HydrophobicContact CB-CB 3.9Å; A466-M488 HydrophobicContact CB-CG 4.23Å; A466-A491 HydrophobicContact CB-CB 4.26Å; A466-V505 PolarHBondContact N-O 2.87Å; A466-V505 PolarHBondContact O-N 3.35Å
467L98.8Very high97Very high0 Ų011 Ų110%07%0.066CC..EExtended strand (participates in β ladder)trans-119.9135.6172.1-74.973.1000108.8L462 V480 I481 C503 V504 A541 L547 P551 F552 M555L462-L467 HydrophobicContact CD1-CD1 3.64Å; L467-V480 CarbonylContact O-C 3.54Å; L467-V480 VanDerWaalsContact O-CA 3.26Å; L467-V480 WeakPolarHBondContact O-CA 3.3Å; L467-V480 WeakPolarHBondContact O-CG2 3.39Å; L467-I481 PolarHBondContact N-O 3.18Å; L467-I481 PolarHBondContact O-N 3.34Å; L467-C503 CarbonylContact C-O 3.54Å; L467-C503 VanDerWaalsContact CA-O 3.3Å; L467-C503 WeakPolarHBondContact CA-O 3.46Å; L467-V504 HydrophobicContact CG-CG2 4.32Å; L467-A541 HydrophobicContact CD2-CB 4.26Å; L467-L547 HydrophobicContact CD1-CD1 4.26Å; L467-L547 HydrophobicContact CD2-CD1 3.99Å; L467-P551 HydrophobicContact CD2-CB 4.03Å; L467-P551 HydrophobicContact CD2-CG 4.39Å; L467-F552 HydrophobicContact CB-CE1 4.16Å; L467-F552 HydrophobicContact CD2-CE1 4.14Å; L467-F552 HydrophobicContact CD2-CE2 4.44Å; L467-F552 HydrophobicContact CD2-CZ 4.02Å; L467-F552 HydrophobicContact CG-CE1 4.38Å; L467-F552 HydrophobicContact CG-CZ 4.31Å; L467-M555 HydrophobicContact CB-CE 3.93Å; L467-M555 HydrophobicContact CB-SD 3.65Å; L467-M555 HydrophobicContact CD2-SD 4.01Å; L467-M555 WeakPolarHBondContact O-CE 3.45Å
468A98.7Very high97.1Very high0 Ų011 Ų110%07%0.066CC..EExtended strand (participates in β ladder)trans-126.4146.6173.900000111.3V479 V480 A491 V495 L502 C503A468-V479 CarbonylContact C-O 3.6Å; A468-V479 VanDerWaalsContact CA-O 3.31Å; A468-V479 WeakPolarHBondContact CA-O 3.31Å; A468-V480 HydrophobicContact CB-CB 4.2Å; A468-V480 HydrophobicContact CB-CG2 4.13Å; A468-A491 HydrophobicContact CB-CB 3.66Å; A468-V495 HydrophobicContact CB-CG1 4.16Å; A468-V495 HydrophobicContact CB-CG2 4.32Å; A468-L502 CarbonylContact O-C 3.53Å; A468-L502 WeakPolarHBondContact O-CA 3.19Å; A468-C503 HydrophobicContact CB-CB 4.45Å; A468-C503 PolarHBondContact N-O 2.86Å; A468-C503 PolarHBondContact O-N 3.2Å
469A98.5Very high97.2Very high0 Ų011 Ų110%07%0.066CC..EExtended strand (participates in β ladder)trans-143.9148.5176.300000111I478 V479 G501 L502 F552 M555A469-I478 WeakPolarHBondContact O-CA 3.35Å; A469-V479 HydrophobicContact CB-CG1 3.99Å; A469-V479 PolarHBondContact N-O 3Å; A469-V479 PolarHBondContact O-N 2.98Å; A469-G501 CarbonylContact C-O 3.56Å; A469-G501 WeakPolarHBondContact CA-O 3.38Å; A469-L502 HydrophobicContact CB-CD2 3.59Å; A469-F552 HydrophobicContact CB-CD1 4.18Å; A469-M555 HydrophobicContact CB-CE 4.37Å
470T98.5Very high97.5Very high0 Ų010 Ų100%06%0.056CC..SBendtrans-99.1-8.7166.854.80000112.8I388 S472 H476 I478 V495 G501 G520I388-T470 HydrophobicContact CD1-CG2 3.78Å; T470-S472 PolarHBondContact O-N 3.3Å; T470-H476 WeakPolarHBondContact O-CB 3.2Å; T470-I478 HydrophobicContact CG2-CG1 3.89Å; T470-V495 HydrophobicContact CG2-CB 4.17Å; T470-V495 HydrophobicContact CG2-CG2 4.18Å; T470-G501 PolarHBondContact N-O 3.03Å; T470-G501 PolarHBondContact OG1-N 3.26Å; T470-G501 PolarHBondContact OG1-O 3.1Å; T470-G520 PolarHBondContact OG1-O 3.35Å
471V97.6Very high97.6Very high17 Ų1710 Ų1010%0.1036%0.056CC..  trans-82.1100.7165.7-173.40000107.2L516 L521 A556V471-L516 HydrophobicContact CG2-CD1 3.97Å; V471-L521 HydrophobicContact CG2-CD2 4.07Å; V471-A556 HydrophobicContact CG1-CB 4.12Å; V471-A556 WeakPolarHBondContact O-CA 3.47Å; V471-A556 WeakPolarHBondContact O-CB 3.37Å
472S96.7Very high97.7Very high0 Ų09.3 Ų9.30%05%0.048CC..  trans-144.292.4-178-1560000109.9T470 H476 N477 V479 A556 S559T470-S472 PolarHBondContact O-N 3.3Å; S472-H476 PolarHBondContact N-ND1 3.33Å; S472-H476 WeakPolarHBondContact O-CA 3.44Å; S472-H476 PolarHBondContact O-N 2.87Å; S472-H476 PolarHBondContact O-ND1 2.88Å; S472-N477 WeakPolarHBondContact CB-O 3.31Å; S472-V479 WeakPolarHBondContact OG-CB 3.33Å; S472-V479 WeakPolarHBondContact OG-CG1 3.49Å; S472-A556 CarbonylContact C-O 3.5Å; S472-S559 WeakPolarHBondContact CB-OG 3.27Å; S472-S559 PolarHBondContact O-OG 2.97Å; S472-S559 WeakPolarHBondContact OG-CB 3.43Å; S472-S559 PolarHBondContact OG-OG 2.88Å
473H95.4Very high97.7Very high4 Ų413.2 Ų13.22%0.0196%0.063CC..THydrogen-bonded Turntrans-54.9138.2-169.7-69.6-76.6000112.5E121 D285 A556 F557 S559 L560E121-H473 IonicContact OE1-CE1 3.76Å; E121-H473 PolarHBondContact OE1-CE1 2.89Å; E121-H473 IonicContact OE1-ND1 2.89Å; E121-H473 PolarHBondContact OE1-ND1 3.28Å; E121-H473 IonicContact OE2-CE1 2.76Å; E121-H473 IonicContact OE2-ND1 3.43Å; E121-H473 PolarHBondContact OE2-ND1 2.79Å; E121-H473 VanDerWaalsContact OE2-ND1 3.16Å; D285-H473 IonicContact OD1-CE1 3.78Å; D285-H473 IonicContact OD1-NE2 2.81Å; H473-A556 WeakPolarHBondContact CD2-CB 3.42Å; H473-A556 PolarHBondContact N-O 2.85Å; H473-F557 AromaticContact CD2-CZ 3.96Å; H473-S559 PolarHBondContact N-OG 2.78Å; H473-S559 CarbonylContact O-C 3.53Å; H473-S559 VanDerWaalsContact O-C 3.24Å; H473-S559 PolarHBondContact O-OG 3.43Å; H473-L560 HydrophobicContact CB-CB 4.05Å; H473-L560 HydrophobicContact CB-CD1 4.17Å; H473-L560 HydrophobicContact CB-CD2 4.11Å; H473-L560 HydrophobicContact CB-CG 4.33Å; H473-L560 VanDerWaalsContact O-CA 3.29Å; H473-L560 WeakPolarHBondContact O-CA 3.47Å; H473-L560 PolarHBondContact O-N 3.43Å
474D96.1Very high97.6Very high3 Ų39.8 Ų9.82%0.0165%0.047CC..THydrogen-bonded Turncis-103.5-12.1-14.6-67.6-28.9000112H120 N124 A155 M187 H476 L560H120-D474 IonicContact NE2-OD1 3.17Å; N124-D474 WeakPolarHBondContact CB-O 3.43Å; N124-D474 VanDerWaalsContact CG-O 3.23Å; A155-D474 HydrophobicContact CB-CB 4.24Å; M187-D474 VanDerWaalsContact CE-OD2 3.23Å; M187-D474 WeakPolarHBondContact CE-OD2 3.42Å; D474-H476 PolarHBondContact O-CD2 3.05Å; D474-H476 PolarHBondContact O-N 2.93Å; D474-H476 PolarHBondContact O-NE2 3.19Å; D474-L560 HydrophobicContact CB-CD1 4.24Å; D474-L560 VanDerWaalsContact CG-CD1 3.5Å; D474-L560 WeakPolarHBondContact OD2-CD1 3.26Å
475S97.6Very high97.6Very high2 Ų27.8 Ų7.81%0.0144%0.041CC..THydrogen-bonded Turntrans-73.5-13.5-179.3-45.80000112.6D160 V161 N162 Y446 N477D160-S475 VanDerWaalsContact CB-OG 3.25Å; D160-S475 WeakPolarHBondContact CB-OG 3.31Å; D160-S475 WeakPolarHBondContact OD2-CB 3.41Å; D160-S475 PolarHBondContact OD2-OG 3.25Å; V161-S475 WeakPolarHBondContact O-CB 3.29Å; N162-S475 WeakPolarHBondContact OD1-CA 3.46Å; Y446-S475 WeakPolarHBondContact CE2-O 2.96Å; Y446-S475 VanDerWaalsContact CZ-O 3.23Å; Y446-S475 PolarHBondContact OH-O 2.88Å; S475-N477 PolarHBondContact O-N 2.99Å
476H98.1Very high97.6Very high0 Ų013.9 Ų13.90%07%0.07CC..THydrogen-bonded Turntrans52.838.7179.8-54.5-56.3000114.2E121 V125 R445 Y446 T470 S472 D474 L521E121-H476 WeakPolarHBondContact CA-NE2 3.38Å; E121-H476 VanDerWaalsContact CB-NE2 3.32Å; E121-H476 WeakPolarHBondContact CB-NE2 3.09Å; E121-H476 PolarHBondContact O-CD2 3.06Å; E121-H476 VanDerWaalsContact O-CD2 3.26Å; E121-H476 PolarHBondContact O-NE2 3.29Å; E121-H476 IonicContact OE2-CE1 3.13Å; E121-H476 PolarHBondContact OE2-CE1 2.9Å; E121-H476 IonicContact OE2-NE2 3.7Å; E121-H476 PolarHBondContact OE2-NE2 3.24Å; V125-H476 HydrophobicContact CG2-CB 4.04Å; R445-H476 WeakPolarHBondContact CD-O 3.38Å; R445-H476 PolarHBondContact NE-O 2.76Å; R445-H476 PolarHBondContact NH2-O 2.88Å; Y446-H476 PolarHBondContact OH-O 2.53Å; T470-H476 WeakPolarHBondContact O-CB 3.2Å; S472-H476 PolarHBondContact N-ND1 3.33Å; S472-H476 WeakPolarHBondContact O-CA 3.44Å; S472-H476 PolarHBondContact O-N 2.87Å; S472-H476 PolarHBondContact O-ND1 2.88Å; D474-H476 PolarHBondContact O-CD2 3.05Å; D474-H476 PolarHBondContact O-N 2.93Å; D474-H476 PolarHBondContact O-NE2 3.19Å; H476-L521 HydrophobicContact CB-CD2 4.17Å
477N98.3Very high97.6Very high1 Ų115 Ų151%0.0058%0.075CC..PPolyproline II helixtrans-67.3165.7165.7-74.9-51.9000110.5D160 V161 V442 L443 E444 R445 Y446 S472 S475 V479 S570D160-N477 PolarHBondContact OD1-ND2 3.33Å; V161-N477 PolarHBondContact O-ND2 2.9Å; V442-N477 HydrophobicContact CG1-CB 3.7Å; L443-N477 WeakPolarHBondContact O-CB 3.49Å; E444-N477 VanDerWaalsContact CA-OD1 3.26Å; E444-N477 WeakPolarHBondContact CA-OD1 3.22Å; R445-N477 PolarHBondContact N-OD1 3.44Å; R445-N477 VanDerWaalsContact N-OD1 3.07Å; Y446-N477 WeakPolarHBondContact CE2-OD1 3.46Å; S472-N477 WeakPolarHBondContact CB-O 3.31Å; S475-N477 PolarHBondContact O-N 2.99Å; N477-V479 PolarHBondContact O-N 3.41Å; N477-S570 PolarHBondContact ND2-OG 3.47Å
478I98.7Very high97.6Very high0 Ų015.2 Ų15.20%08%0.076CC..EExtended strand (participates in β ladder)trans-73.6121.6177.7-61160.8000107.8I388 V442 L443 R445 A469 T470 V492 V495 I496I388-I478 HydrophobicContact CG2-CD1 4.39Å; V442-I478 CarbonylContact C-O 3.53Å; V442-I478 WeakPolarHBondContact CA-O 3.4Å; L443-I478 HydrophobicContact CB-CB 4.24Å; L443-I478 HydrophobicContact CD1-CB 4.35Å; L443-I478 HydrophobicContact CD1-CG2 4.22Å; L443-I478 WeakPolarHBondContact CD1-O 3.37Å; L443-I478 PolarHBondContact N-O 3.24Å; L443-I478 PolarHBondContact O-N 3.16Å; R445-I478 HydrophobicContact CB-CD1 4.17Å; R445-I478 HydrophobicContact CB-CG1 4.15Å; A469-I478 WeakPolarHBondContact O-CA 3.35Å; T470-I478 HydrophobicContact CG2-CG1 3.89Å; I478-V492 HydrophobicContact CD1-CG1 4.44Å; I478-V492 HydrophobicContact CG2-CG1 4.33Å; I478-V492 HydrophobicContact CG2-CG2 4.04Å; I478-V495 HydrophobicContact CG1-CG2 4.47Å; I478-V495 HydrophobicContact CG2-CG2 3.96Å; I478-I496 HydrophobicContact CD1-CD1 4.35Å; I478-I496 HydrophobicContact CD1-CG1 3.84Å
479V98.6Very high97.6Very high0 Ų015.5 Ų15.50%08%0.079CC..EExtended strand (participates in β ladder)trans-102.7137169.261.10000109.7I440 A441 V442 A468 A469 S472 N477 M555I440-V479 HydrophobicContact CD1-CG2 4.21Å; I440-V479 HydrophobicContact CG1-CG2 4.27Å; A441-V479 WeakPolarHBondContact O-CA 3.4Å; V442-V479 HydrophobicContact CG2-CB 4.26Å; V442-V479 HydrophobicContact CG2-CG2 4.11Å; A468-V479 CarbonylContact C-O 3.6Å; A468-V479 VanDerWaalsContact CA-O 3.31Å; A468-V479 WeakPolarHBondContact CA-O 3.31Å; A469-V479 HydrophobicContact CB-CG1 3.99Å; A469-V479 PolarHBondContact N-O 3Å; A469-V479 PolarHBondContact O-N 2.98Å; S472-V479 WeakPolarHBondContact OG-CB 3.33Å; S472-V479 WeakPolarHBondContact OG-CG1 3.49Å; N477-V479 PolarHBondContact O-N 3.41Å; V479-M555 HydrophobicContact CG1-CB 4.48Å; V479-M555 HydrophobicContact CG1-CE 4.21Å
480V98.8Very high97.6Very high0 Ų018.4 Ų18.40%09%0.094CC..EExtended strand (participates in β ladder)trans-137135.417660.50000110.3F398 I440 A441 L443 L467 A468 M488 A491 V492F398-V480 HydrophobicContact CE1-CG1 3.97Å; F398-V480 HydrophobicContact CZ-CG1 4.41Å; I440-V480 CarbonylContact C-O 3.52Å; I440-V480 VanDerWaalsContact CA-O 3.3Å; I440-V480 WeakPolarHBondContact CA-O 3.21Å; A441-V480 HydrophobicContact CB-CG1 3.86Å; A441-V480 PolarHBondContact N-O 3.02Å; A441-V480 PolarHBondContact O-N 2.52Å; L443-V480 HydrophobicContact CD1-CG1 3.83Å; L467-V480 CarbonylContact O-C 3.54Å; L467-V480 VanDerWaalsContact O-CA 3.26Å; L467-V480 WeakPolarHBondContact O-CA 3.3Å; L467-V480 WeakPolarHBondContact O-CG2 3.39Å; A468-V480 HydrophobicContact CB-CB 4.2Å; A468-V480 HydrophobicContact CB-CG2 4.13Å; V480-M488 HydrophobicContact CG1-CB 4.46Å; V480-M488 HydrophobicContact CG1-CE 3.72Å; V480-M488 HydrophobicContact CG2-CB 3.85Å; V480-M488 HydrophobicContact CG2-CE 4.47Å; V480-M488 HydrophobicContact CG2-CG 3.92Å; V480-A491 HydrophobicContact CG2-CB 4.43Å; V480-V492 HydrophobicContact CB-CG2 3.73Å; V480-V492 HydrophobicContact CG1-CG2 3.66Å; V480-V492 HydrophobicContact CG2-CG2 4.03Å
481I98.4Very high97.6Very high0 Ų018.4 Ų18.40%09%0.094CC..EExtended strand (participates in β ladder)trans-116.7135.3170.4-56168.4000107.5F439 I440 L457 F460 L462 A466 L467 M555 L558F439-I481 CarbonylContact O-C 3.58Å; F439-I481 VanDerWaalsContact O-CA 3.25Å; F439-I481 WeakPolarHBondContact O-CA 3.43Å; F439-I481 WeakPolarHBondContact O-CG2 3.29Å; I440-I481 HydrophobicContact CB-CG1 4.35Å; I440-I481 HydrophobicContact CD1-CG1 4.33Å; I440-I481 HydrophobicContact CG1-CG1 4.12Å; L457-I481 HydrophobicContact CD2-CD1 3.36Å; L457-I481 HydrophobicContact CD2-CG1 3.87Å; L457-I481 HydrophobicContact CD2-CG2 3.9Å; F460-I481 HydrophobicContact CD1-CD1 3.81Å; F460-I481 HydrophobicContact CD1-CG2 4.1Å; F460-I481 HydrophobicContact CD2-CD1 4.12Å; F460-I481 HydrophobicContact CE1-CD1 3.6Å; F460-I481 HydrophobicContact CE1-CG2 4.39Å; F460-I481 HydrophobicContact CE2-CD1 3.92Å; F460-I481 HydrophobicContact CG-CD1 4.08Å; F460-I481 HydrophobicContact CZ-CD1 3.66Å; L462-I481 HydrophobicContact CD2-CB 4.47Å; L462-I481 HydrophobicContact CD2-CG2 3.77Å; A466-I481 CarbonylContact C-O 3.58Å; A466-I481 WeakPolarHBondContact CA-O 3.4Å; A466-I481 WeakPolarHBondContact CB-O 3.44Å; L467-I481 PolarHBondContact N-O 3.18Å; L467-I481 PolarHBondContact O-N 3.34Å; I481-M555 HydrophobicContact CD1-CE 4.28Å; I481-M555 HydrophobicContact CD1-CG 3.4Å; I481-M555 VanDerWaalsContact CD1-CG 3.4Å; I481-M555 HydrophobicContact CD1-SD 3.99Å; I481-M555 HydrophobicContact CG1-CE 4.27Å; I481-M555 HydrophobicContact CG1-CG 4.32Å; I481-L558 HydrophobicContact CD1-CD1 3.85Å
482G97.7Very high97.6Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans-159168.6177.500000114.7F439 G465F439-G482 PolarHBondContact N-O 2.82Å; F439-G482 PolarHBondContact O-N 3.24Å; G465-G482 WeakPolarHBondContact O-CA 3.33Å
483R95.5Very high97.7Very high83 Ų8319.7 Ų19.731%0.31310%0.1SC..SBendtrans-97.5-16.6175-60.5-64.6-68.5-176.52.3113.3D435 V437 S438 L462 N463 G465D435-R483 PolarHBondContact O-NH1 2.91Å; D435-R483 PolarHBondContact O-NH2 3.39Å; V437-R483 VanDerWaalsContact C-NH1 3.26Å; V437-R483 PolarHBondContact O-NH1 2.94Å; S438-R483 WeakPolarHBondContact OG-CD 3.4Å; S438-R483 PolarHBondContact OG-NH1 3.36Å; L462-R483 HydrophobicContact CD2-CG 4.21Å; L462-R483 HydrophobicContact CG-CG 4.14Å; L462-R483 WeakPolarHBondContact O-CD 3.47Å; N463-R483 PolarHBondContact O-NE 3.45Å; G465-R483 PolarHBondContact O-N 3.29Å
484S95Very high97.9Very high29 Ų2920.9 Ų20.920%0.20311%0.106CC..SBendtrans-139.9146.1177.368.40000110.7E486 E487 M488S484-E486 PolarHBondContact O-N 2.94Å; S484-E487 PolarHBondContact O-N 3.38Å; S484-E487 WeakPolarHBondContact OG-CB 3.44Å; S484-E487 VanDerWaalsContact OG-CG 3.3Å; S484-E487 WeakPolarHBondContact OG-CG 3.16Å; S484-E487 PolarHBondContact OG-N 2.87Å; S484-E487 PolarHBondContact OG-OE2 2.8Å; S484-M488 VanDerWaalsContact O-CG 3.24Å; S484-M488 WeakPolarHBondContact O-CG 3.39Å; S484-M488 PolarHBondContact O-N 2.92Å; S484-M488 VanDerWaalsContact O-N 3.1Å
485A96.7Very high98Very high24 Ų2420.7 Ų20.720%0.19811%0.105CC..Hα-helixtrans-65.4-30.5178.400000111.8A395 F398 A489A395-A485 HydrophobicContact CB-CB 3.95Å; A395-A485 WeakPolarHBondContact O-CB 3.49Å; F398-A485 HydrophobicContact CB-CB 4Å; A485-A489 WeakPolarHBondContact O-CB 3.44Å; A485-A489 PolarHBondContact O-N 3.29Å
486E97.5Very high98Very high128 Ų12821.5 Ų21.560%0.59811%0.109SC*.Hα-helixtrans-64.3-47.4177.1-65.777.3-173.400111.9A395 S484 A489 L490A395-E486 HydrophobicContact CB-CG 4.02Å; S484-E486 PolarHBondContact O-N 2.94Å; E486-A489 PolarHBondContact O-N 3.07Å; E486-L490 PolarHBondContact O-N 2.71Å
487E98Very high98Very high24 Ų2428.7 Ų28.711%0.11214%0.142CC..Hα-helixtrans-73.5-34.7179.7-69.1-176.512800111.9G465 A466 S484 A489 L490 A491 V505 N507 G508G465-E487 WeakPolarHBondContact CA-OE2 3.11Å; G465-E487 PolarHBondContact N-OE2 3.44Å; A466-E487 HydrophobicContact CB-CB 3.9Å; S484-E487 PolarHBondContact O-N 3.38Å; S484-E487 WeakPolarHBondContact OG-CB 3.44Å; S484-E487 VanDerWaalsContact OG-CG 3.3Å; S484-E487 WeakPolarHBondContact OG-CG 3.16Å; S484-E487 PolarHBondContact OG-N 2.87Å; S484-E487 PolarHBondContact OG-OE2 2.8Å; E487-A489 VanDerWaalsContact C-N 3.33Å; E487-A489 PolarHBondContact O-N 3.36Å; E487-L490 PolarHBondContact O-N 2.86Å; E487-A491 WeakPolarHBondContact O-CB 3.34Å; E487-A491 PolarHBondContact O-N 3.16Å; E487-V505 HydrophobicContact CB-CG1 3.72Å; E487-V505 HydrophobicContact CG-CG1 3.81Å; E487-N507 PolarHBondContact OE1-N 2.94Å; E487-G508 PolarHBondContact OE1-N 2.72Å
488M98.6Very high97.9Very high4 Ų430.2 Ų30.22%0.0215%0.151CC..Hα-helixtrans-58.9-46.3170.5-68.9171.872.600111F398 F439 A441 A466 V480 S484 L490 A491 V492F398-M488 HydrophobicContact CD1-CE 3.81Å; F398-M488 HydrophobicContact CD2-CB 4.37Å; F398-M488 HydrophobicContact CE1-CE 4.15Å; F398-M488 HydrophobicContact CE2-CB 4.27Å; F398-M488 HydrophobicContact CG-CE 4.36Å; F398-M488 HydrophobicContact CZ-CB 4.35Å; F439-M488 HydrophobicContact CB-CE 4.15Å; F439-M488 HydrophobicContact CB-SD 3.73Å; A441-M488 HydrophobicContact CB-CE 3.84Å; A466-M488 HydrophobicContact CB-CG 4.23Å; V480-M488 HydrophobicContact CG1-CB 4.46Å; V480-M488 HydrophobicContact CG1-CE 3.72Å; V480-M488 HydrophobicContact CG2-CB 3.85Å; V480-M488 HydrophobicContact CG2-CE 4.47Å; V480-M488 HydrophobicContact CG2-CG 3.92Å; S484-M488 VanDerWaalsContact O-CG 3.24Å; S484-M488 WeakPolarHBondContact O-CG 3.39Å; S484-M488 PolarHBondContact O-N 2.92Å; S484-M488 VanDerWaalsContact O-N 3.1Å; M488-L490 VanDerWaalsContact C-N 3.33Å; M488-L490 PolarHBondContact O-N 2.78Å; M488-A491 PolarHBondContact O-N 3.38Å; M488-V492 WeakPolarHBondContact O-CB 3.29Å; M488-V492 WeakPolarHBondContact O-CG2 3.46Å; M488-V492 PolarHBondContact O-N 2.99Å
489A98.6Very high97.8Very high7 Ų730.4 Ų30.46%0.05815%0.153CC..Hα-helixtrans-61.7-40.8177.300000112V393 F398 A485 E486 E487 N493V393-A489 HydrophobicContact CG2-CB 4.26Å; F398-A489 HydrophobicContact CD2-CB 4.44Å; F398-A489 HydrophobicContact CE2-CB 3.87Å; A485-A489 WeakPolarHBondContact O-CB 3.44Å; A485-A489 PolarHBondContact O-N 3.29Å; E486-A489 PolarHBondContact O-N 3.07Å; E487-A489 VanDerWaalsContact C-N 3.33Å; E487-A489 PolarHBondContact O-N 3.36Å; A489-N493 VanDerWaalsContact O-CB 3.32Å; A489-N493 WeakPolarHBondContact O-CB 3.28Å; A489-N493 PolarHBondContact O-N 2.88Å; A489-N493 PolarHBondContact O-ND2 2.79Å; A489-N493 VanDerWaalsContact O-ND2 3.11Å
490L98.6Very high97.7Very high60 Ų6030.4 Ų30.431%0.31415%0.153SC..Hα-helixtrans-63-46.6177-173.364.7000111.7E486 E487 M488 N493 Q494 V505 G508 V510E486-L490 PolarHBondContact O-N 2.71Å; E487-L490 PolarHBondContact O-N 2.86Å; M488-L490 VanDerWaalsContact C-N 3.33Å; M488-L490 PolarHBondContact O-N 2.78Å; L490-N493 PolarHBondContact O-N 2.98Å; L490-Q494 PolarHBondContact O-N 3.16Å; L490-V505 HydrophobicContact CB-CG1 4.37Å; L490-V505 HydrophobicContact CB-CG2 4.19Å; L490-V505 HydrophobicContact CD2-CG1 3.77Å; L490-V505 HydrophobicContact CD2-CG2 3.98Å; L490-V505 HydrophobicContact CG-CG1 4.43Å; L490-V505 HydrophobicContact CG-CG2 3.96Å; L490-G508 VanDerWaalsContact CD2-C 3.49Å; L490-G508 VanDerWaalsContact CD2-O 3.32Å; L490-G508 WeakPolarHBondContact CD2-O 3.42Å; L490-V510 HydrophobicContact CD2-CG2 4.41Å; L490-V510 HydrophobicContact CG-CG2 4.23Å
491A98.8Very high97.7Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-64.3-43-179.600000111.7A466 A468 V480 E487 M488 Q494 V495 V505A466-A491 HydrophobicContact CB-CB 4.26Å; A468-A491 HydrophobicContact CB-CB 3.66Å; V480-A491 HydrophobicContact CG2-CB 4.43Å; E487-A491 WeakPolarHBondContact O-CB 3.34Å; E487-A491 PolarHBondContact O-N 3.16Å; M488-A491 PolarHBondContact O-N 3.38Å; A491-Q494 PolarHBondContact O-N 3.42Å; A491-V495 PolarHBondContact O-N 3.03Å; A491-V505 HydrophobicContact CB-CB 4.28Å; A491-V505 HydrophobicContact CB-CG2 3.74Å
492V98.7Very high97.7Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-62.4-45.6175.71690000111.3V393 F398 L443 I478 V480 M488 Q494 V495 I496V393-V492 HydrophobicContact CG1-CG1 4.38Å; V393-V492 HydrophobicContact CG2-CB 3.85Å; V393-V492 HydrophobicContact CG2-CG1 3.52Å; F398-V492 HydrophobicContact CZ-CG2 4.12Å; L443-V492 HydrophobicContact CD1-CG2 4.06Å; L443-V492 HydrophobicContact CD2-CG1 3.96Å; L443-V492 HydrophobicContact CD2-CG2 4.44Å; I478-V492 HydrophobicContact CD1-CG1 4.44Å; I478-V492 HydrophobicContact CG2-CG1 4.33Å; I478-V492 HydrophobicContact CG2-CG2 4.04Å; V480-V492 HydrophobicContact CB-CG2 3.73Å; V480-V492 HydrophobicContact CG1-CG2 3.66Å; V480-V492 HydrophobicContact CG2-CG2 4.03Å; M488-V492 WeakPolarHBondContact O-CB 3.29Å; M488-V492 WeakPolarHBondContact O-CG2 3.46Å; M488-V492 PolarHBondContact O-N 2.99Å; V492-Q494 VanDerWaalsContact C-N 3.26Å; V492-Q494 PolarHBondContact O-N 3.12Å; V492-V495 WeakPolarHBondContact O-CG2 3.35Å; V492-V495 PolarHBondContact O-N 3.18Å; V492-I496 HydrophobicContact CG1-CD1 3.75Å; V492-I496 HydrophobicContact CG1-CG1 4.36Å; V492-I496 VanDerWaalsContact O-CG1 3.28Å; V492-I496 WeakPolarHBondContact O-CG1 3.38Å; V492-I496 PolarHBondContact O-N 3.5Å
493N98.7Very high97.8Very high44 Ų4430.6 Ų30.624%0.23515%0.154CC..Hα-helixtrans-65.5-32.4-179.8-72.6-26000112.4P392 V393 A489 L490 I496 Q497P392-N493 WeakPolarHBondContact CA-OD1 3.43Å; P392-N493 WeakPolarHBondContact CB-OD1 3.4Å; V393-N493 PolarHBondContact N-OD1 2.86Å; V393-N493 PolarHBondContact O-ND2 3.23Å; A489-N493 VanDerWaalsContact O-CB 3.32Å; A489-N493 WeakPolarHBondContact O-CB 3.28Å; A489-N493 PolarHBondContact O-N 2.88Å; A489-N493 PolarHBondContact O-ND2 2.79Å; A489-N493 VanDerWaalsContact O-ND2 3.11Å; L490-N493 PolarHBondContact O-N 2.98Å; N493-I496 PolarHBondContact O-N 3.28Å; N493-Q497 WeakPolarHBondContact O-CB 3.41Å; N493-Q497 PolarHBondContact O-N 2.83Å
494Q98.7Very high97.9Very high29 Ų2926.7 Ų26.714%0.13614%0.139CC..Hα-helixtrans-63.5-49.5173.8-174.958.36000111.4L490 A491 V492 I496 Q497 D498 C503 V510 H513L490-Q494 PolarHBondContact O-N 3.16Å; A491-Q494 PolarHBondContact O-N 3.42Å; V492-Q494 VanDerWaalsContact C-N 3.26Å; V492-Q494 PolarHBondContact O-N 3.12Å; Q494-I496 VanDerWaalsContact C-N 3.29Å; Q494-I496 PolarHBondContact O-N 2.67Å; Q494-Q497 WeakPolarHBondContact O-CB 3.44Å; Q494-Q497 PolarHBondContact O-N 2.96Å; Q494-Q497 VanDerWaalsContact O-N 3.08Å; Q494-D498 VanDerWaalsContact NE2-CG 3.32Å; Q494-D498 PolarHBondContact NE2-OD1 2.75Å; Q494-D498 PolarHBondContact NE2-OD2 2.87Å; Q494-D498 PolarHBondContact O-N 2.87Å; Q494-C503 HydrophobicContact CB-CB 4.38Å; Q494-C503 HydrophobicContact CG-CB 4.33Å; Q494-V510 HydrophobicContact CB-CG2 4.13Å; Q494-V510 HydrophobicContact CG-CG1 4.16Å; Q494-V510 HydrophobicContact CG-CG2 4.04Å; Q494-H513 HydrophobicContact CG-CB 4.16Å; Q494-H513 PolarHBondContact NE2-ND1 2.89Å
495V98.5Very high98.1Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-67.4-29.7179-59.90000112.7I388 A468 T470 I478 A491 V492 G499 G500 C503I388-V495 VanDerWaalsContact CD1-O 3.27Å; I388-V495 WeakPolarHBondContact CD1-O 3.17Å; A468-V495 HydrophobicContact CB-CG1 4.16Å; A468-V495 HydrophobicContact CB-CG2 4.32Å; T470-V495 HydrophobicContact CG2-CB 4.17Å; T470-V495 HydrophobicContact CG2-CG2 4.18Å; I478-V495 HydrophobicContact CG1-CG2 4.47Å; I478-V495 HydrophobicContact CG2-CG2 3.96Å; A491-V495 PolarHBondContact O-N 3.03Å; V492-V495 WeakPolarHBondContact O-CG2 3.35Å; V492-V495 PolarHBondContact O-N 3.18Å; V495-G499 PolarHBondContact O-N 3.29Å; V495-G500 PolarHBondContact O-N 2.92Å; V495-C503 HydrophobicContact CG1-CB 3.7Å
496I97.9Very high98.2Very high19 Ų1926.6 Ų26.610%0.09713%0.129CC..Hα-helixtrans-62.9-45.3169.8-68.5168.9000110.4I388 R390 I478 V492 N493 Q494 G499I388-I496 HydrophobicContact CG2-CB 4.42Å; I388-I496 HydrophobicContact CG2-CG1 4.02Å; I388-I496 HydrophobicContact CG2-CG2 4.29Å; R390-I496 HydrophobicContact CB-CD1 4.44Å; I478-I496 HydrophobicContact CD1-CD1 4.35Å; I478-I496 HydrophobicContact CD1-CG1 3.84Å; V492-I496 HydrophobicContact CG1-CD1 3.75Å; V492-I496 HydrophobicContact CG1-CG1 4.36Å; V492-I496 VanDerWaalsContact O-CG1 3.28Å; V492-I496 WeakPolarHBondContact O-CG1 3.38Å; V492-I496 PolarHBondContact O-N 3.5Å; N493-I496 PolarHBondContact O-N 3.28Å; Q494-I496 VanDerWaalsContact C-N 3.29Å; Q494-I496 PolarHBondContact O-N 2.67Å; I496-G499 PolarHBondContact O-N 3.09Å
497Q96.9Very high98.2Very high150 Ų15025.9 Ų25.970%0.70113%0.13SC*.Hα-helixtrans-64.8-39.7-179.8179.5177.1-2.400112.2N493 Q494 G499N493-Q497 WeakPolarHBondContact O-CB 3.41Å; N493-Q497 PolarHBondContact O-N 2.83Å; Q494-Q497 WeakPolarHBondContact O-CB 3.44Å; Q494-Q497 PolarHBondContact O-N 2.96Å; Q494-Q497 VanDerWaalsContact O-N 3.08Å; Q497-G499 PolarHBondContact O-N 2.79Å
498D96.9Very high98.1Very high33 Ų3327.1 Ų27.118%0.17615%0.148CC..Hα-helixtrans-71.3-12.1177.7-65-28.3000112.6Q494 G500 H513 P515Q494-D498 VanDerWaalsContact NE2-CG 3.32Å; Q494-D498 PolarHBondContact NE2-OD1 2.75Å; Q494-D498 PolarHBondContact NE2-OD2 2.87Å; Q494-D498 PolarHBondContact O-N 2.87Å; D498-G500 VanDerWaalsContact C-N 3.29Å; D498-H513 IonicContact OD1-CE1 3.69Å; D498-H513 IonicContact OD1-ND1 2.99Å; D498-H513 PolarHBondContact OD1-ND1 2.92Å; D498-H513 IonicContact OD2-CE1 3.37Å; D498-H513 IonicContact OD2-CG 3.99Å; D498-H513 IonicContact OD2-ND1 3.65Å; D498-H513 PolarHBondContact OD2-ND1 3.29Å; D498-P515 HydrophobicContact CB-CB 4.06Å; D498-P515 HydrophobicContact CB-CG 4.22Å
499G96.3Very high98.1Very high5 Ų533.2 Ų33.25%0.05218%0.177CC..THydrogen-bonded Turntrans73.820.8-177.100000113.6N386 V495 I496 Q497N386-G499 VanDerWaalsContact OD1-CA 3.23Å; N386-G499 WeakPolarHBondContact OD1-CA 3.49Å; V495-G499 PolarHBondContact O-N 3.29Å; I496-G499 PolarHBondContact O-N 3.09Å; Q497-G499 PolarHBondContact O-N 2.79Å
500G97.8Very high98.1Very high0 Ų035.1 Ų35.10%019%0.188CC..SBendtrans132.8138.5-166.600000111.4V495 D498 P515 L516V495-G500 PolarHBondContact O-N 2.92Å; D498-G500 VanDerWaalsContact C-N 3.29Å; G500-P515 WeakPolarHBondContact O-CA 3.43Å; G500-L516 PolarHBondContact O-N 3.4Å
501G98.1Very high98.1Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans154.8-165.317300000116.2A469 T470 L514A469-G501 CarbonylContact C-O 3.56Å; A469-G501 WeakPolarHBondContact CA-O 3.38Å; T470-G501 PolarHBondContact N-O 3.03Å; T470-G501 PolarHBondContact OG1-N 3.26Å; T470-G501 PolarHBondContact OG1-O 3.1Å; G501-L514 CarbonylContact C-O 3.45Å; G501-L514 WeakPolarHBondContact CA-O 3.38Å
502L98.4Very high98.1Very high4 Ų437.4 Ų37.42%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-118.1146.2174-49.3179.1000109.1M97 A468 A469 H513 L514 L516 L537 F552M97-L502 HydrophobicContact CE-CD1 3.77Å; M97-L502 HydrophobicContact SD-CD1 4.16Å; A468-L502 CarbonylContact O-C 3.53Å; A468-L502 WeakPolarHBondContact O-CA 3.19Å; A469-L502 HydrophobicContact CB-CD2 3.59Å; L502-H513 CarbonylContact O-C 3.58Å; L502-H513 WeakPolarHBondContact O-CA 3.44Å; L502-H513 WeakPolarHBondContact O-CB 3.38Å; L502-L514 HydrophobicContact CB-CB 4.37Å; L502-L514 HydrophobicContact CD1-CD2 4.24Å; L502-L514 PolarHBondContact N-O 2.85Å; L502-L514 PolarHBondContact O-N 2.9Å; L502-L516 HydrophobicContact CG-CD1 4.31Å; L502-L537 HydrophobicContact CB-CD1 3.9Å; L502-L537 HydrophobicContact CB-CD2 4.42Å; L502-L537 HydrophobicContact CD1-CD1 3.86Å; L502-L537 HydrophobicContact CG-CD1 4.48Å; L502-F552 HydrophobicContact CB-CD1 4.06Å; L502-F552 HydrophobicContact CB-CE1 3.89Å; L502-F552 HydrophobicContact CB-CG 4.42Å; L502-F552 HydrophobicContact CB-CZ 4.12Å; L502-F552 HydrophobicContact CD1-CB 4.12Å; L502-F552 HydrophobicContact CD1-CD1 4.32Å; L502-F552 HydrophobicContact CD1-CD2 4.08Å; L502-F552 HydrophobicContact CD1-CG 3.91Å; L502-F552 HydrophobicContact CD2-CB 4.24Å; L502-F552 HydrophobicContact CD2-CD1 3.88Å; L502-F552 HydrophobicContact CD2-CG 4.16Å; L502-F552 HydrophobicContact CG-CD1 4.31Å; L502-F552 HydrophobicContact CG-CG 4.39Å
503C98.8Very high98Very high0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-145.8141.7179.1-177.90000111.8L467 A468 Q494 V495 H513L467-C503 CarbonylContact C-O 3.54Å; L467-C503 VanDerWaalsContact CA-O 3.3Å; L467-C503 WeakPolarHBondContact CA-O 3.46Å; A468-C503 HydrophobicContact CB-CB 4.45Å; A468-C503 PolarHBondContact N-O 2.86Å; A468-C503 PolarHBondContact O-N 3.2Å; Q494-C503 HydrophobicContact CB-CB 4.38Å; Q494-C503 HydrophobicContact CG-CB 4.33Å; V495-C503 HydrophobicContact CG1-CB 3.7Å; C503-H513 HydrophobicContact CB-CB 4.37Å
504V98.8Very high98Very high0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-118.2127.6167.6-173.50000109.1L467 Q511 S512 L537 A540 A541 F552L467-V504 HydrophobicContact CG-CG2 4.32Å; V504-Q511 PolarHBondContact O-N 2.89Å; V504-S512 PolarHBondContact N-O 2.83Å; V504-S512 PolarHBondContact O-N 2.89Å; V504-L537 HydrophobicContact CG2-CD2 3.93Å; V504-A540 HydrophobicContact CB-CB 4.08Å; V504-A540 HydrophobicContact CG1-CB 4.07Å; V504-A540 HydrophobicContact CG2-CB 4.26Å; V504-A541 HydrophobicContact CG2-CB 4.19Å; V504-F552 HydrophobicContact CG2-CE2 4.18Å; V504-F552 HydrophobicContact CG2-CZ 3.67Å
505V98.8Very high98Very high0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-116.7138.8173.1167.20000109.4G465 A466 E487 L490 A491 Q509 V510G465-V505 CarbonylContact C-O 3.5Å; G465-V505 WeakPolarHBondContact CA-O 3.47Å; A466-V505 PolarHBondContact N-O 2.87Å; A466-V505 PolarHBondContact O-N 3.35Å; E487-V505 HydrophobicContact CB-CG1 3.72Å; E487-V505 HydrophobicContact CG-CG1 3.81Å; L490-V505 HydrophobicContact CB-CG1 4.37Å; L490-V505 HydrophobicContact CB-CG2 4.19Å; L490-V505 HydrophobicContact CD2-CG1 3.77Å; L490-V505 HydrophobicContact CD2-CG2 3.98Å; L490-V505 HydrophobicContact CG-CG1 4.43Å; L490-V505 HydrophobicContact CG-CG2 3.96Å; A491-V505 HydrophobicContact CB-CB 4.28Å; A491-V505 HydrophobicContact CB-CG2 3.74Å; V505-Q509 WeakPolarHBondContact CA-O 3.31Å; V505-V510 HydrophobicContact CG2-CG2 3.99Å
506R98.3Very high97.9Very high51 Ų5139.4 Ų39.419%0.19221%0.21CC..EExtended strand (participates in β ladder)trans-150144.2170.4-170.4-171.3170.7-172.714.6109.3E464 G508 Q509 Q511 E543E464-R506 HydrophobicContact CG-CG 4.31Å; E464-R506 IonicContact OE1-CZ 3.3Å; E464-R506 IonicContact OE1-NE 2.9Å; E464-R506 PolarHBondContact OE1-NE 3.45Å; E464-R506 IonicContact OE1-NH2 3.6Å; E464-R506 PolarHBondContact OE1-NH2 3.4Å; E464-R506 IonicContact OE2-CZ 2.71Å; E464-R506 IonicContact OE2-NE 2.93Å; E464-R506 PolarHBondContact OE2-NE 3.47Å; E464-R506 IonicContact OE2-NH2 3.31Å; R506-G508 PolarHBondContact O-N 2.97Å; R506-Q509 PolarHBondContact N-O 2.97Å; R506-Q509 PolarHBondContact O-N 3.11Å; R506-Q509 VanDerWaalsContact O-N 3.11Å; R506-Q509 VanDerWaalsContact O-O 3.08Å; R506-Q511 HydrophobicContact CB-CG 3.68Å; R506-Q511 PolarHBondContact O-NE2 2.84Å; R506-E543 IonicContact CZ-OE2 3.94Å; R506-E543 PolarHBondContact NE-O 3.3Å; R506-E543 PolarHBondContact NH1-O 3Å; R506-E543 IonicContact NH1-OE2 2.63Å; R506-E543 PolarHBondContact NH1-OE2 3.13Å; R506-E543 PolarHBondContact NH2-O 3.48Å
507N97.3Very high97.9Very high114 Ų11439.2 Ų39.261%0.6121%0.21SC*.THydrogen-bonded Turntrans54.837.6179.9-63.6-48.3000112.7E487 Q509E487-N507 PolarHBondContact OE1-N 2.94Å; N507-Q509 VanDerWaalsContact C-N 3.25Å; N507-Q509 PolarHBondContact O-N 2.97Å
508G97.2Very high98Very high49 Ų4932 Ų3251%0.50518%0.177SC..THydrogen-bonded Turntrans67.220.4-179.500000114.9E487 L490 R506E487-G508 PolarHBondContact OE1-N 2.72Å; L490-G508 VanDerWaalsContact CD2-C 3.49Å; L490-G508 VanDerWaalsContact CD2-O 3.32Å; L490-G508 WeakPolarHBondContact CD2-O 3.42Å; R506-G508 PolarHBondContact O-N 2.97Å
509Q98.2Very high98Very high132 Ų13230.5 Ų30.562%0.61717%0.168SC*.EExtended strand (participates in β ladder)trans-133.5144.3178.1-65.4-175.2-18.300111.2V505 R506 N507 Q511V505-Q509 WeakPolarHBondContact CA-O 3.31Å; R506-Q509 PolarHBondContact N-O 2.97Å; R506-Q509 PolarHBondContact O-N 3.11Å; R506-Q509 VanDerWaalsContact O-N 3.11Å; R506-Q509 VanDerWaalsContact O-O 3.08Å; N507-Q509 VanDerWaalsContact C-N 3.25Å; N507-Q509 PolarHBondContact O-N 2.97Å; Q509-Q511 PolarHBondContact O-N 3.42Å; Q509-Q511 PolarHBondContact O-NE2 2.93Å
510V98.6Very high98.1Very high48 Ų4830.2 Ų30.229%0.29117%0.166SC..EExtended strand (participates in β ladder)trans-68116.5169177.20000108.4L490 Q494 V505 H513L490-V510 HydrophobicContact CD2-CG2 4.41Å; L490-V510 HydrophobicContact CG-CG2 4.23Å; Q494-V510 HydrophobicContact CB-CG2 4.13Å; Q494-V510 HydrophobicContact CG-CG1 4.16Å; Q494-V510 HydrophobicContact CG-CG2 4.04Å; V505-V510 HydrophobicContact CG2-CG2 3.99Å; V510-H513 HydrophobicContact CG1-CB 4.3Å
511Q98.5Very high98.1Very high90 Ų9030.3 Ų30.342%0.42117%0.166SC..EExtended strand (participates in β ladder)trans-89.1-37.8-179.6-60.5-58.1-46.100111.5V504 R506 Q509 A540V504-Q511 PolarHBondContact O-N 2.89Å; R506-Q511 HydrophobicContact CB-CG 3.68Å; R506-Q511 PolarHBondContact O-NE2 2.84Å; Q509-Q511 PolarHBondContact O-N 3.42Å; Q509-Q511 PolarHBondContact O-NE2 2.93Å; Q511-A540 HydrophobicContact CB-CB 3.89Å
512S98.3Very high98.1Very high18 Ų1830.3 Ų30.313%0.12617%0.166CC..EExtended strand (participates in β ladder)trans-157.8151.8177-174.40000109.9V504 L537V504-S512 PolarHBondContact N-O 2.83Å; V504-S512 PolarHBondContact O-N 2.89Å; S512-L537 PolarHBondContact OG-N 3.46Å
513H98.2Very high98.1Very high73 Ų7330.3 Ų30.334%0.33817%0.166SC..EExtended strand (participates in β ladder)trans-152.5152.8174.770.2135.2000110.3Q494 D498 L502 C503 V510Q494-H513 HydrophobicContact CG-CB 4.16Å; Q494-H513 PolarHBondContact NE2-ND1 2.89Å; D498-H513 IonicContact OD1-CE1 3.69Å; D498-H513 IonicContact OD1-ND1 2.99Å; D498-H513 PolarHBondContact OD1-ND1 2.92Å; D498-H513 IonicContact OD2-CE1 3.37Å; D498-H513 IonicContact OD2-CG 3.99Å; D498-H513 IonicContact OD2-ND1 3.65Å; D498-H513 PolarHBondContact OD2-ND1 3.29Å; L502-H513 CarbonylContact O-C 3.58Å; L502-H513 WeakPolarHBondContact O-CA 3.44Å; L502-H513 WeakPolarHBondContact O-CB 3.38Å; C503-H513 HydrophobicContact CB-CB 4.37Å; V510-H513 HydrophobicContact CG1-CB 4.3Å
514L97.9Very high97.9Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-129.7103.6175.8171.458.4000108.6M97 G501 L502 L516 L530 Q533 I534 L537M97-L514 HydrophobicContact SD-CD2 3.85Å; G501-L514 CarbonylContact C-O 3.45Å; G501-L514 WeakPolarHBondContact CA-O 3.38Å; L502-L514 HydrophobicContact CB-CB 4.37Å; L502-L514 HydrophobicContact CD1-CD2 4.24Å; L502-L514 PolarHBondContact N-O 2.85Å; L502-L514 PolarHBondContact O-N 2.9Å; L514-L516 HydrophobicContact CD2-CD2 4.33Å; L514-L516 HydrophobicContact CG-CD2 4.17Å; L514-L516 HydrophobicContact CG-CG 4.43Å; L514-L530 HydrophobicContact CD1-CD2 3.93Å; L514-L530 HydrophobicContact CD2-CD2 4.37Å; L514-Q533 HydrophobicContact CD1-CB 3.92Å; L514-Q533 HydrophobicContact CD1-CG 4.34Å; L514-I534 HydrophobicContact CD2-CG1 4.14Å; L514-L537 HydrophobicContact CB-CD1 3.47Å; L514-L537 VanDerWaalsContact CB-CD1 3.47Å; L514-L537 HydrophobicContact CB-CG 4.43Å; L514-L537 HydrophobicContact CD2-CD1 4.07Å; L514-L537 HydrophobicContact CG-CD1 4.44Å
515P97.6Very high97.8Very high42 Ų4235 Ų3527%0.27319%0.193SC..EExtended strand (participates in β ladder)trans-63.1134.2172.6-23.334.9000111.9D498 G500 P517D498-P515 HydrophobicContact CB-CB 4.06Å; D498-P515 HydrophobicContact CB-CG 4.22Å; G500-P515 WeakPolarHBondContact O-CA 3.43Å; P515-P517 WeakPolarHBondContact O-CD 3.38Å
516L98.1Very high97.7Very high0 Ų037.7 Ų37.70%021%0.21CC..  trans-123.276.3176.7-65.2173.1000109.5M97 V471 G500 L502 L514 I518 G520 M522M97-L516 HydrophobicContact CB-CD2 4.01Å; M97-L516 HydrophobicContact CG-CD2 4.32Å; M97-L516 HydrophobicContact SD-CD2 4.49Å; V471-L516 HydrophobicContact CG2-CD1 3.97Å; G500-L516 PolarHBondContact O-N 3.4Å; L502-L516 HydrophobicContact CG-CD1 4.31Å; L514-L516 HydrophobicContact CD2-CD2 4.33Å; L514-L516 HydrophobicContact CG-CD2 4.17Å; L514-L516 HydrophobicContact CG-CG 4.43Å; L516-I518 PolarHBondContact O-N 3.4Å; L516-I518 VanDerWaalsContact O-N 3.12Å; L516-G520 WeakPolarHBondContact O-CA 3.26Å; L516-G520 PolarHBondContact O-N 3.17Å; L516-G520 VanDerWaalsContact O-N 3.16Å; L516-M522 CarbonylContact C-O 3.58Å; L516-M522 WeakPolarHBondContact CA-O 3.15Å
517P96.9Very high97.5Very high14 Ų1436 Ų369%0.09121%0.206CC..THydrogen-bonded Turntrans-72.8-5.4-166.130-38000115.1Y384 G385 P515 M522Y384-P517 HydrophobicContact CD2-CB 4.16Å; Y384-P517 HydrophobicContact CD2-CG 4.09Å; Y384-P517 HydrophobicContact CE1-CB 4.02Å; Y384-P517 HydrophobicContact CE2-CB 3.54Å; Y384-P517 HydrophobicContact CE2-CG 3.31Å; Y384-P517 VanDerWaalsContact CZ-CB 3.44Å; G385-P517 PolarHBondContact N-O 2.98Å; P515-P517 WeakPolarHBondContact O-CD 3.38Å; P517-M522 WeakPolarHBondContact CD-O 3.13Å
518I98.1Very high97.4Very high0 Ų036.7 Ų36.70%021%0.206CC..BIsolated β-bridgetrans-101.2106.6174.6-53.4173.8000107.3T99 I122 W133 P382 P383 Y384 L516 G520 L521 M522 T524T99-I518 HydrophobicContact CG2-CD1 3.58Å; I122-I518 HydrophobicContact CD1-CG2 4.4Å; W133-I518 HydrophobicContact CH2-CD1 4.26Å; W133-I518 HydrophobicContact CH2-CG2 4.2Å; W133-I518 HydrophobicContact CZ3-CG2 4.07Å; P382-I518 HydrophobicContact CB-CD1 3.96Å; P383-I518 HydrophobicContact CG-CG2 4.05Å; Y384-I518 HydrophobicContact CD2-CG1 4.47Å; L516-I518 PolarHBondContact O-N 3.4Å; L516-I518 VanDerWaalsContact O-N 3.12Å; I518-G520 PolarHBondContact O-N 2.82Å; I518-L521 PolarHBondContact O-N 2.99Å; I518-M522 HydrophobicContact CB-CB 4.08Å; I518-M522 WeakPolarHBondContact CB-O 3.13Å; I518-M522 HydrophobicContact CD1-CB 4.35Å; I518-M522 HydrophobicContact CG2-CE 4.15Å; I518-M522 PolarHBondContact N-O 2.77Å; I518-M522 PolarHBondContact O-N 2.8Å; I518-T524 HydrophobicContact CD1-CG2 3.9Å
519A97.9Very high97.3Very high0 Ų036.1 Ų36.10%019%0.194CC..THydrogen-bonded Turntrans588.4179.400000115.9I122 V125 M126 T387 R445 L521I122-A519 HydrophobicContact CD1-CB 4.42Å; I122-A519 HydrophobicContact CG1-CB 3.93Å; V125-A519 HydrophobicContact CB-CB 4.04Å; V125-A519 HydrophobicContact CG1-CB 3.84Å; V125-A519 HydrophobicContact CG2-CB 4.26Å; M126-A519 HydrophobicContact CG-CB 4.39Å; M126-A519 HydrophobicContact SD-CB 4.2Å; T387-A519 VanDerWaalsContact OG1-C 3.29Å; T387-A519 PolarHBondContact OG1-O 2.73Å; R445-A519 PolarHBondContact NH1-O 3.21Å; R445-A519 VanDerWaalsContact NH1-O 3.16Å; R445-A519 PolarHBondContact NH2-O 3.45Å; A519-L521 VanDerWaalsContact C-N 3.26Å; A519-L521 HydrophobicContact CB-CD1 4.1Å; A519-L521 HydrophobicContact CB-CG 4.19Å
520G98Very high97.2Very high0 Ų029.9 Ų29.90%017%0.165CC..THydrogen-bonded Turntrans71.419-167.900000114.4T470 L516 I518T470-G520 PolarHBondContact OG1-O 3.35Å; L516-G520 WeakPolarHBondContact O-CA 3.26Å; L516-G520 PolarHBondContact O-N 3.17Å; L516-G520 VanDerWaalsContact O-N 3.16Å; I518-G520 PolarHBondContact O-N 2.82Å
521L98.2Very high97.1Very high2 Ų227.8 Ų27.81%0.0115%0.153CC..THydrogen-bonded Turntrans-124.5-40-173.3-57.1176.1000112.8E121 I122 V125 V471 H476 I518 A519E121-L521 VanDerWaalsContact C-CD1 3.5Å; E121-L521 HydrophobicContact CB-CD1 3.77Å; I122-L521 HydrophobicContact CB-CD1 4.43Å; V125-L521 HydrophobicContact CG2-CD1 3.86Å; V125-L521 HydrophobicContact CG2-CG 4.39Å; V471-L521 HydrophobicContact CG2-CD2 4.07Å; H476-L521 HydrophobicContact CB-CD2 4.17Å; I518-L521 PolarHBondContact O-N 2.99Å; A519-L521 VanDerWaalsContact C-N 3.26Å; A519-L521 HydrophobicContact CB-CD1 4.1Å; A519-L521 HydrophobicContact CB-CG 4.19Å
522M98.2Very high97Very high0 Ų028.6 Ų28.60%016%0.157CC..BIsolated β-bridgetrans-128.9163.3-172.8-68.4167.5-8000112.7E94 M97 M98 I122 W133 F134 L516 P517 I518E94-M522 HydrophobicContact CB-CE 4.27Å; E94-M522 HydrophobicContact CB-CG 4.33Å; E94-M522 HydrophobicContact CB-SD 4.27Å; E94-M522 HydrophobicContact CG-CE 3.47Å; E94-M522 VanDerWaalsContact CG-CE 3.47Å; E94-M522 HydrophobicContact CG-CG 4.46Å; E94-M522 HydrophobicContact CG-SD 3.82Å; M97-M522 CarbonylContact O-C 3.54Å; M97-M522 WeakPolarHBondContact O-CA 3.36Å; M98-M522 WeakPolarHBondContact O-CG 3.46Å; I122-M522 HydrophobicContact CB-CE 4.3Å; I122-M522 HydrophobicContact CD1-CE 3.95Å; I122-M522 HydrophobicContact CG1-CE 4.45Å; W133-M522 HydrophobicContact CH2-CE 4.37Å; W133-M522 HydrophobicContact CH2-SD 4.34Å; W133-M522 HydrophobicContact CZ3-CE 3.74Å; W133-M522 HydrophobicContact CZ3-SD 4.18Å; F134-M522 HydrophobicContact CE2-CE 4.09Å; F134-M522 HydrophobicContact CE2-SD 4.46Å; F134-M522 HydrophobicContact CZ-CE 4.36Å; F134-M522 HydrophobicContact CZ-SD 4.28Å; L516-M522 CarbonylContact C-O 3.58Å; L516-M522 WeakPolarHBondContact CA-O 3.15Å; P517-M522 WeakPolarHBondContact CD-O 3.13Å; I518-M522 HydrophobicContact CB-CB 4.08Å; I518-M522 WeakPolarHBondContact CB-O 3.13Å; I518-M522 HydrophobicContact CD1-CB 4.35Å; I518-M522 HydrophobicContact CG2-CE 4.15Å; I518-M522 PolarHBondContact N-O 2.77Å; I518-M522 PolarHBondContact O-N 2.8Å
523S97.5Very high96.9Very high3 Ų330.1 Ų30.12%0.02116%0.162CC..BIsolated β-bridgetrans-124.7157.9171.9-174.40000111.7M97 T99 D525M97-S523 PolarHBondContact O-N 3.33Å; T99-S523 WeakPolarHBondContact CG2-O 3.45Å; S523-D525 VanDerWaalsContact C-N 3.27Å; S523-D525 VanDerWaalsContact OG-CG 3.3Å; S523-D525 PolarHBondContact OG-N 3.43Å; S523-D525 VanDerWaalsContact OG-N 3.13Å; S523-D525 PolarHBondContact OG-OD2 3.46Å
524T96.5Very high96.7Very high41 Ų4127 Ų2725%0.25215%0.148SC..SBendtrans-83.8-1.3168.9510000113.3T99 L377 P382 Y384 I518T99-T524 HydrophobicContact CG2-CG2 4.45Å; L377-T524 HydrophobicContact CD1-CG2 4.36Å; L377-T524 HydrophobicContact CD2-CG2 3.81Å; L377-T524 HydrophobicContact CG-CG2 4.5Å; P382-T524 HydrophobicContact CG-CG2 4.22Å; Y384-T524 HydrophobicContact CD2-CG2 4.26Å; I518-T524 HydrophobicContact CD1-CG2 3.9Å
525D96.3Very high96.6Very high58 Ų5830.3 Ų30.331%0.3117%0.165SC..SBendtrans-65.8157.5177.2-70.1-11.6000111.6S523 L530 Q533S523-D525 VanDerWaalsContact C-N 3.27Å; S523-D525 VanDerWaalsContact OG-CG 3.3Å; S523-D525 PolarHBondContact OG-N 3.43Å; S523-D525 VanDerWaalsContact OG-N 3.13Å; S523-D525 PolarHBondContact OG-OD2 3.46Å; D525-L530 HydrophobicContact CB-CD2 4.2Å; D525-L530 HydrophobicContact CB-CG 3.99Å; D525-Q533 PolarHBondContact OD2-NE2 2.85Å
526T95.4Very high96.5Very high57 Ų5730.6 Ų30.635%0.3517%0.171SC..  trans-69.1155177.666.40000111.1Q528 S529 L530T526-Q528 PolarHBondContact O-N 3.44Å; T526-S529 PolarHBondContact O-N 3.29Å; T526-S529 WeakPolarHBondContact OG1-CB 3.13Å; T526-S529 PolarHBondContact OG1-N 3.39Å; T526-L530 PolarHBondContact O-N 3.28Å
527A95.4Very high96.4Very high14 Ų1430.7 Ų30.712%0.11617%0.172CC..Hα-helixtrans-54-39.2176.700000113.1M98 T102 A106 A531M98-A527 HydrophobicContact CE-CB 3.48Å; M98-A527 VanDerWaalsContact CE-CB 3.48Å; M98-A527 HydrophobicContact SD-CB 3.72Å; T102-A527 HydrophobicContact CG2-CB 4.3Å; A106-A527 HydrophobicContact CB-CB 3.81Å; A527-A531 WeakPolarHBondContact O-CB 3.33Å; A527-A531 PolarHBondContact O-N 3.16Å
528Q93.7Very high96.3Very high130 Ų13030.6 Ų30.661%0.60717%0.17SC*.Hα-helixtrans-66.1-46176.4-178.2177.5-10.200111.8T526 L530 A531 E532T526-Q528 PolarHBondContact O-N 3.44Å; Q528-L530 VanDerWaalsContact C-N 3.32Å; Q528-L530 PolarHBondContact O-N 3.44Å; Q528-A531 PolarHBondContact O-N 2.9Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.43Å; Q528-E532 PolarHBondContact NE2-OE1 3.21Å; Q528-E532 WeakPolarHBondContact O-CG 3.41Å; Q528-E532 PolarHBondContact O-N 3.46Å
529S96Very high96.2Very high37 Ų3733.2 Ų33.226%0.25919%0.192SC..Hα-helixtrans-63.6-39.5179-179.30000111.7T526 E532 Q533T526-S529 PolarHBondContact O-N 3.29Å; T526-S529 WeakPolarHBondContact OG1-CB 3.13Å; T526-S529 PolarHBondContact OG1-N 3.39Å; S529-E532 PolarHBondContact O-N 2.96Å; S529-Q533 VanDerWaalsContact O-CG 3.29Å; S529-Q533 WeakPolarHBondContact O-CG 3.08Å; S529-Q533 PolarHBondContact O-N 3.46Å; S529-Q533 PolarHBondContact O-NE2 3.07Å; S529-Q533 PolarHBondContact OG-NE2 2.93Å
530L97Very high96.2Very high0 Ų033.9 Ų33.90%020%0.197CC..Hα-helixtrans-63.9-42.7174.2-74.4172.1000112.2M98 P288 L514 D525 T526 Q528 E532 Q533 I534M98-L530 HydrophobicContact CG-CD1 3.71Å; P288-L530 HydrophobicContact CB-CB 4.01Å; P288-L530 HydrophobicContact CG-CB 3.92Å; P288-L530 HydrophobicContact CG-CD1 4.43Å; L514-L530 HydrophobicContact CD1-CD2 3.93Å; L514-L530 HydrophobicContact CD2-CD2 4.37Å; D525-L530 HydrophobicContact CB-CD2 4.2Å; D525-L530 HydrophobicContact CB-CG 3.99Å; T526-L530 PolarHBondContact O-N 3.28Å; Q528-L530 VanDerWaalsContact C-N 3.32Å; Q528-L530 PolarHBondContact O-N 3.44Å; L530-E532 PolarHBondContact O-N 3.02Å; L530-Q533 PolarHBondContact O-N 3.31Å; L530-I534 WeakPolarHBondContact O-CB 3.39Å; L530-I534 VanDerWaalsContact O-CG1 3.29Å; L530-I534 WeakPolarHBondContact O-CG1 3.46Å; L530-I534 PolarHBondContact O-N 3.2Å
531A95.3Very high96.1Very high4 Ų434 Ų343%0.03320%0.198CC..Hα-helixtrans-60.7-43.5175.700000112V292 A527 Q528 I534 D535V292-A531 HydrophobicContact CB-CB 4.36Å; V292-A531 HydrophobicContact CG2-CB 4.13Å; A527-A531 WeakPolarHBondContact O-CB 3.33Å; A527-A531 PolarHBondContact O-N 3.16Å; Q528-A531 PolarHBondContact O-N 2.9Å; A531-I534 PolarHBondContact O-N 3.36Å; A531-D535 PolarHBondContact O-N 3.39Å
532E95.7Very high96Very high108 Ų10841.3 Ų41.351%0.50523%0.225SC..Hα-helixtrans-64.4-39.5176.8-70.9170.1-171.500112.4Q528 S529 L530 D535 A536Q528-E532 WeakPolarHBondContact CG-OE1 3.43Å; Q528-E532 PolarHBondContact NE2-OE1 3.21Å; Q528-E532 WeakPolarHBondContact O-CG 3.41Å; Q528-E532 PolarHBondContact O-N 3.46Å; S529-E532 PolarHBondContact O-N 2.96Å; L530-E532 PolarHBondContact O-N 3.02Å; E532-D535 WeakPolarHBondContact O-CB 3.46Å; E532-D535 PolarHBondContact O-N 3.25Å; E532-A536 PolarHBondContact O-N 3.44Å; E532-A536 VanDerWaalsContact O-N 3.16Å
533Q96.6Very high96Very high50 Ų5046.9 Ų46.923%0.23425%0.251CS..Hα-helixtrans-67.5-38175.1-71.1178.58400111.8L514 D525 S529 L530 A536 L537L514-Q533 HydrophobicContact CD1-CB 3.92Å; L514-Q533 HydrophobicContact CD1-CG 4.34Å; D525-Q533 PolarHBondContact OD2-NE2 2.85Å; S529-Q533 VanDerWaalsContact O-CG 3.29Å; S529-Q533 WeakPolarHBondContact O-CG 3.08Å; S529-Q533 PolarHBondContact O-N 3.46Å; S529-Q533 PolarHBondContact O-NE2 3.07Å; S529-Q533 PolarHBondContact OG-NE2 2.93Å; L530-Q533 PolarHBondContact O-N 3.31Å; Q533-A536 PolarHBondContact O-N 3.43Å; Q533-L537 PolarHBondContact O-N 3.48Å
534I95.2Very high96Very high8 Ų846.8 Ų46.84%0.04125%0.25CS..Hα-helixtrans-65.7-38.1173.6-71.9169.6000111.3M97 P288 W289 L514 L530 A531 A536 L537 K538M97-I534 HydrophobicContact CE-CD1 4.47Å; M97-I534 HydrophobicContact SD-CD1 3.94Å; M97-I534 HydrophobicContact SD-CG1 4.49Å; P288-I534 HydrophobicContact CB-CD1 3.91Å; P288-I534 HydrophobicContact CG-CD1 3.46Å; P288-I534 VanDerWaalsContact CG-CD1 3.46Å; W289-I534 HydrophobicContact CB-CB 4.35Å; W289-I534 HydrophobicContact CB-CG2 3.82Å; W289-I534 HydrophobicContact CG-CG2 4.3Å; L514-I534 HydrophobicContact CD2-CG1 4.14Å; L530-I534 WeakPolarHBondContact O-CB 3.39Å; L530-I534 VanDerWaalsContact O-CG1 3.29Å; L530-I534 WeakPolarHBondContact O-CG1 3.46Å; L530-I534 PolarHBondContact O-N 3.2Å; A531-I534 PolarHBondContact O-N 3.36Å; I534-A536 VanDerWaalsContact C-N 3.32Å; I534-A536 PolarHBondContact O-N 3.32Å; I534-L537 PolarHBondContact O-N 2.93Å; I534-K538 HydrophobicContact CG2-CD 3.98Å; I534-K538 HydrophobicContact CG2-CG 4.23Å; I534-K538 WeakPolarHBondContact O-CB 3.3Å; I534-K538 WeakPolarHBondContact O-CG 3.26Å; I534-K538 PolarHBondContact O-N 3.42Å
535D94.3Very high96Very high68 Ų6845.4 Ų45.436%0.36425%0.245SC..Hα-helixtrans-58.1-45.6173-87.1-41.8000111.5W289 A531 E532 K538 A539W289-D535 VanDerWaalsContact CD1-OD1 3.3Å; W289-D535 VanDerWaalsContact NE1-CG 3.28Å; W289-D535 PolarHBondContact NE1-OD1 2.94Å; W289-D535 PolarHBondContact NE1-OD2 3.08Å; A531-D535 PolarHBondContact O-N 3.39Å; E532-D535 WeakPolarHBondContact O-CB 3.46Å; E532-D535 PolarHBondContact O-N 3.25Å; D535-K538 PolarHBondContact O-N 2.79Å; D535-A539 WeakPolarHBondContact O-CB 3.47Å; D535-A539 PolarHBondContact O-N 3.23Å
536A96.4Very high95.9Very high49 Ų4947 Ų4741%0.40526%0.259SS..Hα-helixtrans-63.8-42.5176.800000112.2E532 Q533 I534 A539 A540E532-A536 PolarHBondContact O-N 3.44Å; E532-A536 VanDerWaalsContact O-N 3.16Å; Q533-A536 PolarHBondContact O-N 3.43Å; I534-A536 VanDerWaalsContact C-N 3.32Å; I534-A536 PolarHBondContact O-N 3.32Å; A536-A539 PolarHBondContact O-N 3.45Å; A536-A540 PolarHBondContact O-N 3.42Å
537L96.3Very high95.8Very high1 Ų145.4 Ų45.41%0.00525%0.247CC..Hα-helixtrans-60-48.5173.6-85.1171.6000112.2L502 V504 S512 L514 Q533 I534 A539 A540 A541 F552L502-L537 HydrophobicContact CB-CD1 3.9Å; L502-L537 HydrophobicContact CB-CD2 4.42Å; L502-L537 HydrophobicContact CD1-CD1 3.86Å; L502-L537 HydrophobicContact CG-CD1 4.48Å; V504-L537 HydrophobicContact CG2-CD2 3.93Å; S512-L537 PolarHBondContact OG-N 3.46Å; L514-L537 HydrophobicContact CB-CD1 3.47Å; L514-L537 VanDerWaalsContact CB-CD1 3.47Å; L514-L537 HydrophobicContact CB-CG 4.43Å; L514-L537 HydrophobicContact CD2-CD1 4.07Å; L514-L537 HydrophobicContact CG-CD1 4.44Å; Q533-L537 PolarHBondContact O-N 3.48Å; I534-L537 PolarHBondContact O-N 2.93Å; L537-A539 VanDerWaalsContact C-N 3.33Å; L537-A539 PolarHBondContact O-N 2.87Å; L537-A540 PolarHBondContact O-N 3.09Å; L537-A541 VanDerWaalsContact O-CB 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.44Å; L537-A541 PolarHBondContact O-N 3.32Å; L537-F552 HydrophobicContact CB-CE2 4.11Å; L537-F552 HydrophobicContact CD1-CE2 4.35Å; L537-F552 HydrophobicContact CD2-CE2 4.03Å; L537-F552 HydrophobicContact CD2-CZ 4Å; L537-F552 HydrophobicContact CG-CE2 4.43Å
538K94.1Very high95.6Very high13 Ų1345.1 Ų45.16%0.05725%0.245CC..Hα-helixtrans-62.3-41.2178.2-76.3178.4174.4177.40111.4I534 D535 A541 R542 E550I534-K538 HydrophobicContact CG2-CD 3.98Å; I534-K538 HydrophobicContact CG2-CG 4.23Å; I534-K538 WeakPolarHBondContact O-CB 3.3Å; I534-K538 WeakPolarHBondContact O-CG 3.26Å; I534-K538 PolarHBondContact O-N 3.42Å; D535-K538 PolarHBondContact O-N 2.79Å; K538-A541 PolarHBondContact O-N 3.2Å; K538-R542 VanDerWaalsContact O-CG 3.31Å; K538-R542 WeakPolarHBondContact O-CG 3.31Å; K538-R542 PolarHBondContact O-N 3.33Å; K538-E550 VanDerWaalsContact CE-CD 3.49Å; K538-E550 WeakPolarHBondContact CE-OE1 3.25Å; K538-E550 WeakPolarHBondContact CE-OE2 3.38Å; K538-E550 IonicContact NZ-OE1 2.91Å; K538-E550 PolarHBondContact NZ-OE1 3.35Å; K538-E550 IonicContact NZ-OE2 3.66Å; K538-E550 PolarHBondContact NZ-OE2 3.21Å; K538-E550 VanDerWaalsContact NZ-OE2 3.08Å
539A95.8Very high95.3Very high55 Ų5543.7 Ų43.746%0.45524%0.241SC..Hα-helixtrans-60.4-47.2175.700000111.4D535 A536 L537 A541 R542 E543D535-A539 WeakPolarHBondContact O-CB 3.47Å; D535-A539 PolarHBondContact O-N 3.23Å; A536-A539 PolarHBondContact O-N 3.45Å; L537-A539 VanDerWaalsContact C-N 3.33Å; L537-A539 PolarHBondContact O-N 2.87Å; A539-A541 VanDerWaalsContact C-N 3.33Å; A539-A541 PolarHBondContact O-N 3.11Å; A539-R542 PolarHBondContact O-N 2.83Å; A539-E543 PolarHBondContact O-N 3.28Å
540A97.6Very high95Very high14 Ų1442.7 Ų42.712%0.11623%0.232CC..Hα-helixtrans-63.5-37175.600000112.7V504 Q511 A536 L537 E543 C544V504-A540 HydrophobicContact CB-CB 4.08Å; V504-A540 HydrophobicContact CG1-CB 4.07Å; V504-A540 HydrophobicContact CG2-CB 4.26Å; Q511-A540 HydrophobicContact CB-CB 3.89Å; A536-A540 PolarHBondContact O-N 3.42Å; L537-A540 PolarHBondContact O-N 3.09Å; A540-E543 WeakPolarHBondContact O-CB 3.43Å; A540-E543 PolarHBondContact O-N 3.37Å; A540-C544 PolarHBondContact O-SG 3.19Å; A540-C544 VanDerWaalsContact O-SG 3.39Å
541A97Very high94.8Very high2 Ų242.9 Ų42.92%0.01723%0.234CC..Hα-helixtrans-68.7-41.9179.300000112L467 V504 L537 K538 A539 E543 C544 L547 P551L467-A541 HydrophobicContact CD2-CB 4.26Å; V504-A541 HydrophobicContact CG2-CB 4.19Å; L537-A541 VanDerWaalsContact O-CB 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.44Å; L537-A541 PolarHBondContact O-N 3.32Å; K538-A541 PolarHBondContact O-N 3.2Å; A539-A541 VanDerWaalsContact C-N 3.33Å; A539-A541 PolarHBondContact O-N 3.11Å; A541-E543 PolarHBondContact O-N 2.74Å; A541-C544 VanDerWaalsContact O-CB 3.27Å; A541-C544 WeakPolarHBondContact O-CB 3.16Å; A541-C544 PolarHBondContact O-N 3.36Å; A541-L547 HydrophobicContact CB-CD1 3.69Å; A541-L547 WeakPolarHBondContact O-CD1 3.44Å; A541-P551 HydrophobicContact CB-CG 4.18Å
542R96.1Very high94.8Very high156 Ų15643.5 Ų43.559%0.58924%0.236SC*.Hα-helixtrans-59.6-30.7176.2-71.9177.2-150.7-97.23.4112.9K538 A539 C544 G545K538-R542 VanDerWaalsContact O-CG 3.31Å; K538-R542 WeakPolarHBondContact O-CG 3.31Å; K538-R542 PolarHBondContact O-N 3.33Å; A539-R542 PolarHBondContact O-N 2.83Å; R542-C544 PolarHBondContact O-N 3.01Å; R542-G545 PolarHBondContact O-N 2.98Å
543E97.4Very high94.6Very high116 Ų11639.1 Ų39.154%0.54222%0.215SC..THydrogen-bonded Turntrans-68.7-15175.1-75.1-62.1141.300113.5R506 A539 A540 A541R506-E543 IonicContact CZ-OE2 3.94Å; R506-E543 PolarHBondContact NE-O 3.3Å; R506-E543 PolarHBondContact NH1-O 3Å; R506-E543 IonicContact NH1-OE2 2.63Å; R506-E543 PolarHBondContact NH1-OE2 3.13Å; R506-E543 PolarHBondContact NH2-O 3.48Å; A539-E543 PolarHBondContact O-N 3.28Å; A540-E543 WeakPolarHBondContact O-CB 3.43Å; A540-E543 PolarHBondContact O-N 3.37Å; A541-E543 PolarHBondContact O-N 2.74Å
544C97.4Very high94.4Very high1 Ų136.9 Ų36.91%0.00721%0.205CC..THydrogen-bonded Turntrans-91.6-13.7178.1-58.70000113.2L462 N463 E464 A540 A541 R542L462-C544 HydrophobicContact CD1-CB 3.64Å; N463-C544 WeakPolarHBondContact CB-O 3.4Å; N463-C544 PolarHBondContact N-O 3.27Å; E464-C544 PolarHBondContact N-O 3.29Å; E464-C544 VanDerWaalsContact O-CB 3.32Å; E464-C544 WeakPolarHBondContact O-CB 3.25Å; A540-C544 PolarHBondContact O-SG 3.19Å; A540-C544 VanDerWaalsContact O-SG 3.39Å; A541-C544 VanDerWaalsContact O-CB 3.27Å; A541-C544 WeakPolarHBondContact O-CB 3.16Å; A541-C544 PolarHBondContact O-N 3.36Å; R542-C544 PolarHBondContact O-N 3.01Å
545G96.2Very high94.4Very high13 Ų1336.5 Ų36.513%0.13420%0.203CC..SBendtrans152.3178.217900000114G461 R542 L547G461-G545 CarbonylContact O-C 3.55Å; G461-G545 WeakPolarHBondContact O-CA 3.06Å; R542-G545 PolarHBondContact O-N 2.98Å; G545-L547 PolarHBondContact O-N 3.43Å
546P94.7Very high94.4Very high92 Ų9233.3 Ų33.360%0.59719%0.186SC*.SBendtrans-7565.1175.334.3-38.5000111.8G461 N463G461-P546 WeakPolarHBondContact O-CD 3.4Å; N463-P546 WeakPolarHBondContact ND2-CD 3.02Å
547L94.2Very high94.3Very high22 Ų2231.3 Ų31.312%0.11517%0.168CC..  trans-67.6162.8179-56.3-178.5000112F460 L462 L467 A541 G545 P551F460-L547 HydrophobicContact CD1-CD2 3.93Å; F460-L547 HydrophobicContact CE1-CD2 3.8Å; F460-L547 WeakPolarHBondContact O-CD2 3.05Å; L462-L547 HydrophobicContact CB-CD2 3.98Å; L462-L547 HydrophobicContact CD1-CD2 4.03Å; L467-L547 HydrophobicContact CD1-CD1 4.26Å; L467-L547 HydrophobicContact CD2-CD1 3.99Å; A541-L547 HydrophobicContact CB-CD1 3.69Å; A541-L547 WeakPolarHBondContact O-CD1 3.44Å; G545-L547 PolarHBondContact O-N 3.43Å; L547-P551 HydrophobicContact CB-CB 4.27Å; L547-P551 HydrophobicContact CD1-CB 4.21Å
548P90.4Very high94.3Very high9 Ų931.3 Ų31.36%0.05817%0.168CC..  trans-52.3156.7165.6-24.532.8000112.2F460 E550 P551 Q554F460-P548 HydrophobicContact CD2-CG 4.24Å; F460-P548 HydrophobicContact CE2-CG 4.21Å; F460-P548 VanDerWaalsContact O-CD 3.31Å; F460-P548 WeakPolarHBondContact O-CD 3.48Å; P548-E550 PolarHBondContact O-N 3.34Å; P548-P551 WeakPolarHBondContact O-CD 3.36Å; P548-Q554 HydrophobicContact CB-CB 4.48Å; P548-Q554 HydrophobicContact CG-CB 4.4Å; P548-Q554 HydrophobicContact CG-CG 4.19Å
549D86.7Confident94.4Very high99 Ų9930.8 Ų30.853%0.52917%0.166SC..SBendtrans-59.8-31.1178.2-75.7-36.9000112.6
550E90.2Very high94.3Very high17 Ų1728.4 Ų28.48%0.07915%0.146CC..SBendtrans-123.972178.3-62.2-65.5177.100111.1N287 K538 P548 F552 I553 Q554N287-E550 PolarHBondContact ND2-OE1 3.47Å; N287-E550 PolarHBondContact ND2-OE2 3.46Å; N287-E550 VanDerWaalsContact ND2-OE2 3.11Å; K538-E550 VanDerWaalsContact CE-CD 3.49Å; K538-E550 WeakPolarHBondContact CE-OE1 3.25Å; K538-E550 WeakPolarHBondContact CE-OE2 3.38Å; K538-E550 IonicContact NZ-OE1 2.91Å; K538-E550 PolarHBondContact NZ-OE1 3.35Å; K538-E550 IonicContact NZ-OE2 3.66Å; K538-E550 PolarHBondContact NZ-OE2 3.21Å; K538-E550 VanDerWaalsContact NZ-OE2 3.08Å; P548-E550 PolarHBondContact O-N 3.34Å; E550-F552 VanDerWaalsContact C-N 3.35Å; E550-F552 PolarHBondContact O-N 2.97Å; E550-I553 HydrophobicContact CB-CB 4.31Å; E550-I553 PolarHBondContact O-N 3.43Å; E550-Q554 WeakPolarHBondContact O-CB 3.12Å; E550-Q554 PolarHBondContact O-N 3.05Å
551P93.4Very high94.2Very high4 Ų427.9 Ų27.93%0.02614%0.141CC..Hα-helixtrans-65.1-37.3-168.125.4-32.8000112.6F460 L467 A541 L547 P548 M555F460-P551 HydrophobicContact CZ-CB 4.03Å; L467-P551 HydrophobicContact CD2-CB 4.03Å; L467-P551 HydrophobicContact CD2-CG 4.39Å; A541-P551 HydrophobicContact CB-CG 4.18Å; L547-P551 HydrophobicContact CB-CB 4.27Å; L547-P551 HydrophobicContact CD1-CB 4.21Å; P548-P551 WeakPolarHBondContact O-CD 3.36Å; P551-M555 WeakPolarHBondContact O-CB 3.37Å; P551-M555 WeakPolarHBondContact O-CG 3.29Å; P551-M555 PolarHBondContact O-N 3.41Å
552F94.9Very high93.9Very high17 Ų1727.8 Ų27.88%0.07514%0.14CC..Hα-helixtrans-72.6-35.1-179.5-68.3-72.4000113.1L467 A469 L502 V504 L537 E550 M555 A556L467-F552 HydrophobicContact CB-CE1 4.16Å; L467-F552 HydrophobicContact CD2-CE1 4.14Å; L467-F552 HydrophobicContact CD2-CE2 4.44Å; L467-F552 HydrophobicContact CD2-CZ 4.02Å; L467-F552 HydrophobicContact CG-CE1 4.38Å; L467-F552 HydrophobicContact CG-CZ 4.31Å; A469-F552 HydrophobicContact CB-CD1 4.18Å; L502-F552 HydrophobicContact CB-CD1 4.06Å; L502-F552 HydrophobicContact CB-CE1 3.89Å; L502-F552 HydrophobicContact CB-CG 4.42Å; L502-F552 HydrophobicContact CB-CZ 4.12Å; L502-F552 HydrophobicContact CD1-CB 4.12Å; L502-F552 HydrophobicContact CD1-CD1 4.32Å; L502-F552 HydrophobicContact CD1-CD2 4.08Å; L502-F552 HydrophobicContact CD1-CG 3.91Å; L502-F552 HydrophobicContact CD2-CB 4.24Å; L502-F552 HydrophobicContact CD2-CD1 3.88Å; L502-F552 HydrophobicContact CD2-CG 4.16Å; L502-F552 HydrophobicContact CG-CD1 4.31Å; L502-F552 HydrophobicContact CG-CG 4.39Å; V504-F552 HydrophobicContact CG2-CE2 4.18Å; V504-F552 HydrophobicContact CG2-CZ 3.67Å; L537-F552 HydrophobicContact CB-CE2 4.11Å; L537-F552 HydrophobicContact CD1-CE2 4.35Å; L537-F552 HydrophobicContact CD2-CE2 4.03Å; L537-F552 HydrophobicContact CD2-CZ 4Å; L537-F552 HydrophobicContact CG-CE2 4.43Å; E550-F552 VanDerWaalsContact C-N 3.35Å; E550-F552 PolarHBondContact O-N 2.97Å; F552-M555 HydrophobicContact CD1-SD 4.13Å; F552-M555 WeakPolarHBondContact O-CB 3.3Å; F552-M555 PolarHBondContact O-N 2.76Å; F552-A556 PolarHBondContact O-N 3.38Å
553I91.8Very high93.6Very high15 Ų1520.4 Ų20.48%0.07711%0.112CC..Hα-helixtrans-71.6-43.5174.1-65-172.8000109.5S259 A260 N287 E550 M555 A556 F557S259-I553 WeakPolarHBondContact OG-CD1 3.29Å; A260-I553 HydrophobicContact CB-CB 4.43Å; A260-I553 HydrophobicContact CB-CG2 3.54Å; N287-I553 HydrophobicContact CB-CD1 3.73Å; E550-I553 HydrophobicContact CB-CB 4.31Å; E550-I553 PolarHBondContact O-N 3.43Å; I553-M555 PolarHBondContact O-N 3.33Å; I553-A556 WeakPolarHBondContact O-CB 3.27Å; I553-A556 PolarHBondContact O-N 2.8Å; I553-F557 HydrophobicContact CG2-CD2 4.27Å; I553-F557 HydrophobicContact CG2-CE2 3.77Å; I553-F557 WeakPolarHBondContact O-CD2 3.31Å; I553-F557 PolarHBondContact O-N 3.05Å
554Q92Very high93.2Very high3 Ų315.9 Ų15.91%0.0149%0.093CC..Hα-helixtrans-56.5-40.5173.3-17172.863.600111.8V413 E417 F460 P548 E550 A556V413-Q554 HydrophobicContact CG1-CG 3.72Å; E417-Q554 PolarHBondContact O-NE2 3.1Å; F460-Q554 HydrophobicContact CE2-CB 4.44Å; F460-Q554 HydrophobicContact CE2-CG 4.37Å; P548-Q554 HydrophobicContact CB-CB 4.48Å; P548-Q554 HydrophobicContact CG-CB 4.4Å; P548-Q554 HydrophobicContact CG-CG 4.19Å; E550-Q554 WeakPolarHBondContact O-CB 3.12Å; E550-Q554 PolarHBondContact O-N 3.05Å; Q554-A556 VanDerWaalsContact C-N 3.34Å
555M95.3Very high92.9Very high0 Ų016.4 Ų16.40%010%0.097CC..Hα-helixtrans-60.7-41173.9-79.9171.765.700112.8F460 L467 A469 V479 I481 P551 F552 I553 F557 L558F460-M555 HydrophobicContact CE2-CG 3.96Å; F460-M555 HydrophobicContact CZ-CG 3.69Å; F460-M555 HydrophobicContact CZ-SD 3.97Å; L467-M555 HydrophobicContact CB-CE 3.93Å; L467-M555 HydrophobicContact CB-SD 3.65Å; L467-M555 HydrophobicContact CD2-SD 4.01Å; L467-M555 WeakPolarHBondContact O-CE 3.45Å; A469-M555 HydrophobicContact CB-CE 4.37Å; V479-M555 HydrophobicContact CG1-CB 4.48Å; V479-M555 HydrophobicContact CG1-CE 4.21Å; I481-M555 HydrophobicContact CD1-CE 4.28Å; I481-M555 HydrophobicContact CD1-CG 3.4Å; I481-M555 VanDerWaalsContact CD1-CG 3.4Å; I481-M555 HydrophobicContact CD1-SD 3.99Å; I481-M555 HydrophobicContact CG1-CE 4.27Å; I481-M555 HydrophobicContact CG1-CG 4.32Å; P551-M555 WeakPolarHBondContact O-CB 3.37Å; P551-M555 WeakPolarHBondContact O-CG 3.29Å; P551-M555 PolarHBondContact O-N 3.41Å; F552-M555 HydrophobicContact CD1-SD 4.13Å; F552-M555 WeakPolarHBondContact O-CB 3.3Å; F552-M555 PolarHBondContact O-N 2.76Å; I553-M555 PolarHBondContact O-N 3.33Å; M555-F557 PolarHBondContact O-N 3.03Å; M555-L558 WeakPolarHBondContact O-CB 3.49Å; M555-L558 PolarHBondContact O-N 3.28Å
556A94.8Very high92.9Very high1 Ų116 Ų161%0.0089%0.092CC..Hα-helixtrans-59.8-33.2-17500000112V471 S472 H473 F552 I553 Q554 S559V471-A556 HydrophobicContact CG1-CB 4.12Å; V471-A556 WeakPolarHBondContact O-CA 3.47Å; V471-A556 WeakPolarHBondContact O-CB 3.37Å; S472-A556 CarbonylContact C-O 3.5Å; H473-A556 WeakPolarHBondContact CD2-CB 3.42Å; H473-A556 PolarHBondContact N-O 2.85Å; F552-A556 PolarHBondContact O-N 3.38Å; I553-A556 WeakPolarHBondContact O-CB 3.27Å; I553-A556 PolarHBondContact O-N 2.8Å; Q554-A556 VanDerWaalsContact C-N 3.34Å; A556-S559 PolarHBondContact O-OG 3.13Å
557F93.8Very high92.9Very high8 Ų811.6 Ų11.64%0.0356%0.064CC..G310 helixtrans-81.2-9.9177.4-69.8-78.3000114.9A260 D285 L418 H473 I553 M555 S559 L560 I563 K567A260-F557 HydrophobicContact CB-CD2 4.46Å; A260-F557 HydrophobicContact CB-CE2 4.32Å; D285-F557 HydrophobicContact CB-CZ 4.49Å; D285-F557 VanDerWaalsContact OD2-CZ 3.31Å; D285-F557 WeakPolarHBondContact OD2-CZ 3.37Å; L418-F557 HydrophobicContact CB-CD1 4.46Å; L418-F557 HydrophobicContact CD1-CD1 4.07Å; L418-F557 HydrophobicContact CD1-CE1 3.72Å; L418-F557 HydrophobicContact CD1-CZ 3.98Å; L418-F557 HydrophobicContact CD2-CB 4.49Å; L418-F557 HydrophobicContact CD2-CD1 3.98Å; L418-F557 HydrophobicContact CD2-CD2 3.46Å; L418-F557 VanDerWaalsContact CD2-CD2 3.46Å; L418-F557 HydrophobicContact CD2-CE1 4.02Å; L418-F557 HydrophobicContact CD2-CE2 3.51Å; L418-F557 HydrophobicContact CD2-CG 3.7Å; L418-F557 HydrophobicContact CD2-CZ 3.78Å; L418-F557 HydrophobicContact CG-CD1 4.39Å; L418-F557 HydrophobicContact CG-CE1 4.41Å; H473-F557 AromaticContact CD2-CZ 3.96Å; I553-F557 HydrophobicContact CG2-CD2 4.27Å; I553-F557 HydrophobicContact CG2-CE2 3.77Å; I553-F557 WeakPolarHBondContact O-CD2 3.31Å; I553-F557 PolarHBondContact O-N 3.05Å; M555-F557 PolarHBondContact O-N 3.03Å; F557-S559 PolarHBondContact O-N 3.39Å; F557-L560 HydrophobicContact CD1-CD2 3.81Å; F557-L560 HydrophobicContact CE1-CD2 4.07Å; F557-L560 PolarHBondContact O-N 2.84Å; F557-I563 HydrophobicContact CD1-CD1 4.01Å; F557-I563 HydrophobicContact CE1-CD1 4.36Å; F557-K567 VanDerWaalsContact O-CD 3.24Å; F557-K567 WeakPolarHBondContact O-CD 3.24Å; F557-K567 WeakPolarHBondContact O-CE 3.37Å
558L96.4Very high93.1Very high1 Ų110.6 Ų10.61%0.0056%0.058CC..G310 helixtrans-70.8-13.8179.4-61.2177000112.7I411 V413 T420 I440 L457 I481 M555 K567 L568I411-L558 HydrophobicContact CG2-CD2 4.2Å; V413-L558 HydrophobicContact CG2-CD2 4.02Å; T420-L558 HydrophobicContact CG2-CD2 4.09Å; I440-L558 HydrophobicContact CD1-CB 3.87Å; I440-L558 HydrophobicContact CD1-CD1 3.76Å; I440-L558 HydrophobicContact CD1-CG 4.45Å; L457-L558 HydrophobicContact CD1-CD1 3.86Å; L457-L558 HydrophobicContact CD1-CD2 4.1Å; L457-L558 HydrophobicContact CD2-CD1 3.82Å; I481-L558 HydrophobicContact CD1-CD1 3.85Å; M555-L558 WeakPolarHBondContact O-CB 3.49Å; M555-L558 PolarHBondContact O-N 3.28Å; L558-K567 WeakPolarHBondContact O-CA 3.37Å; L558-L568 PolarHBondContact O-N 2.81Å
559S96Very high93.4Very high1 Ų110.1 Ų10.11%0.0076%0.056CC..G310 helixtrans-102.2-2.1175.362.40000115.4S472 H473 A556 F557 P561 L568S472-S559 WeakPolarHBondContact CB-OG 3.27Å; S472-S559 PolarHBondContact O-OG 2.97Å; S472-S559 WeakPolarHBondContact OG-CB 3.43Å; S472-S559 PolarHBondContact OG-OG 2.88Å; H473-S559 PolarHBondContact N-OG 2.78Å; H473-S559 CarbonylContact O-C 3.53Å; H473-S559 VanDerWaalsContact O-C 3.24Å; H473-S559 PolarHBondContact O-OG 3.43Å; A556-S559 PolarHBondContact O-OG 3.13Å; F557-S559 PolarHBondContact O-N 3.39Å; S559-P561 WeakPolarHBondContact O-CD 3.48Å; S559-L568 WeakPolarHBondContact CA-O 3.27Å; S559-L568 WeakPolarHBondContact CB-O 3.2Å
560L95.1Very high93.9Very high5 Ų55.6 Ų5.63%0.0263%0.032CC..  trans-89.1104.2-172.4-176.960.1000111.2A155 H473 D474 F557 V562 I563 K567A155-L560 HydrophobicContact CB-CD1 4.33Å; H473-L560 HydrophobicContact CB-CB 4.05Å; H473-L560 HydrophobicContact CB-CD1 4.17Å; H473-L560 HydrophobicContact CB-CD2 4.11Å; H473-L560 HydrophobicContact CB-CG 4.33Å; H473-L560 VanDerWaalsContact O-CA 3.29Å; H473-L560 WeakPolarHBondContact O-CA 3.47Å; H473-L560 PolarHBondContact O-N 3.43Å; D474-L560 HydrophobicContact CB-CD1 4.24Å; D474-L560 VanDerWaalsContact CG-CD1 3.5Å; D474-L560 WeakPolarHBondContact OD2-CD1 3.26Å; F557-L560 HydrophobicContact CD1-CD2 3.81Å; F557-L560 HydrophobicContact CE1-CD2 4.07Å; F557-L560 PolarHBondContact O-N 2.84Å; L560-V562 VanDerWaalsContact C-N 3.25Å; L560-V562 HydrophobicContact CD1-CG2 3.61Å; L560-V562 HydrophobicContact CD2-CG2 4.03Å; L560-V562 HydrophobicContact CG-CG2 3.6Å; L560-V562 PolarHBondContact O-N 2.91Å; L560-I563 HydrophobicContact CD2-CD1 3.6Å; L560-I563 HydrophobicContact CD2-CG1 3.86Å; L560-I563 HydrophobicContact CG-CD1 4.49Å; L560-I563 HydrophobicContact CG-CG1 4.31Å; L560-I563 PolarHBondContact O-N 3.31Å; L560-K567 WeakPolarHBondContact O-CE 3.33Å; L560-K567 VanDerWaalsContact O-CG 3.28Å; L560-K567 WeakPolarHBondContact O-CG 3.34Å
561P94Very high94.2Very high3 Ų39.1 Ų9.12%0.0195%0.048CC..THydrogen-bonded Turntrans-76-7.2-168.232.4-37.8000114.7L156 S559 T569 F574L156-P561 HydrophobicContact CB-CG 4.49Å; L156-P561 HydrophobicContact CD1-CB 3.99Å; L156-P561 HydrophobicContact CD1-CG 3.93Å; L156-P561 HydrophobicContact CG-CG 4.43Å; S559-P561 WeakPolarHBondContact O-CD 3.48Å; P561-T569 HydrophobicContact CB-CG2 4.1Å; P561-T569 HydrophobicContact CG-CG2 4.27Å; P561-F574 HydrophobicContact CB-CD1 3.45Å; P561-F574 VanDerWaalsContact CB-CD1 3.45Å; P561-F574 HydrophobicContact CB-CE1 3.67Å; P561-F574 HydrophobicContact CB-CG 3.95Å; P561-F574 HydrophobicContact CB-CZ 4.32Å; P561-F574 WeakPolarHBondContact O-CE1 3.45Å
562V92Very high94.3Very high0 Ų09.7 Ų9.70%06%0.055CC..THydrogen-bonded Turntrans-86.3-7.2180-65.70000113.7A155 L156 M187 L560A155-V562 HydrophobicContact CB-CG1 4.29Å; L156-V562 HydrophobicContact CD1-CG1 3.77Å; L156-V562 HydrophobicContact CD2-CG1 3.99Å; L156-V562 HydrophobicContact CG-CG1 3.55Å; M187-V562 HydrophobicContact CB-CB 4.32Å; M187-V562 HydrophobicContact CB-CG1 4.23Å; M187-V562 HydrophobicContact CB-CG2 4.09Å; M187-V562 HydrophobicContact CG-CG1 4.2Å; M187-V562 HydrophobicContact CG-CG2 4.45Å; M187-V562 HydrophobicContact SD-CG1 4.44Å; M187-V562 HydrophobicContact SD-CG2 4.13Å; L560-V562 VanDerWaalsContact C-N 3.25Å; L560-V562 HydrophobicContact CD1-CG2 3.61Å; L560-V562 HydrophobicContact CD2-CG2 4.03Å; L560-V562 HydrophobicContact CG-CG2 3.6Å; L560-V562 PolarHBondContact O-N 2.91Å
563I89.2Confident94.4Very high1 Ų19.5 Ų9.51%0.0055%0.054CC..SBendtrans-109.2128.9177.2-57-173000110.3L418 I419 F557 L560 K567L418-I563 HydrophobicContact CB-CD1 3.82Å; L418-I563 HydrophobicContact CB-CG2 4.12Å; L418-I563 HydrophobicContact CD1-CD1 3.81Å; L418-I563 HydrophobicContact CG-CD1 4.47Å; L418-I563 WeakPolarHBondContact O-CG2 3.17Å; I419-I563 HydrophobicContact CG2-CG2 3.94Å; F557-I563 HydrophobicContact CD1-CD1 4.01Å; F557-I563 HydrophobicContact CE1-CD1 4.36Å; L560-I563 HydrophobicContact CD2-CD1 3.6Å; L560-I563 HydrophobicContact CD2-CG1 3.86Å; L560-I563 HydrophobicContact CG-CD1 4.49Å; L560-I563 HydrophobicContact CG-CG1 4.31Å; L560-I563 PolarHBondContact O-N 3.31Å; I563-K567 WeakPolarHBondContact O-CE 3.28Å; I563-K567 WeakPolarHBondContact O-CG 3.23Å; I563-K567 PolarHBondContact O-NZ 2.71Å
564P88.4Confident94.6Very high22 Ų228.9 Ų8.914%0.1435%0.051CC..SBendtrans-67164.418026.2-33.1000113.2I419 T420 K567 E577I419-P564 CarbonylContact C-O 3.36Å; I419-P564 VanDerWaalsContact CA-O 3.22Å; I419-P564 WeakPolarHBondContact CA-O 3.27Å; I419-P564 HydrophobicContact CG2-CG 4.06Å; T420-P564 PolarHBondContact N-O 2.93Å; T420-P564 PolarHBondContact OG1-O 3.45Å; P564-K567 PolarHBondContact O-NZ 3.37Å; P564-E577 HydrophobicContact CB-CG 3.89Å
565A91.6Very high94.8Very high11 Ų119.4 Ų9.49%0.0915%0.054CC..SBendcis-98.4-61.9-9.200000111.9T420 G576 E577T420-A565 VanDerWaalsContact O-CB 3.26Å; T420-A565 WeakPolarHBondContact O-CB 3.47Å; T420-A565 PolarHBondContact O-N 2.77Å; T420-A565 PolarHBondContact OG1-N 2.73Å; T420-A565 VanDerWaalsContact OG1-N 3.12Å; A565-G576 PolarHBondContact O-N 2.96Å; A565-E577 HydrophobicContact CB-CG 4.12Å
566L95.2Very high94.6Very high4 Ų49.4 Ų9.42%0.0215%0.054CC..EExtended strand (participates in β ladder)trans-103.8137.2178.1-77.3-179.3000112R409 I411 T420 S422 L573 F574 D575 T582R409-L566 HydrophobicContact CB-CD1 4.17Å; I411-L566 HydrophobicContact CG1-CB 3.9Å; I411-L566 WeakPolarHBondContact CG2-O 3.32Å; T420-L566 PolarHBondContact OG1-N 3.23Å; T420-L566 PolarHBondContact OG1-O 3.09Å; S422-L566 WeakPolarHBondContact OG-CD1 3.47Å; L566-L573 HydrophobicContact CD2-CD2 4.5Å; L566-L573 HydrophobicContact CD2-CG 4.29Å; L566-F574 WeakPolarHBondContact CA-O 3.32Å; L566-D575 HydrophobicContact CD2-CB 4.2Å; L566-T582 HydrophobicContact CD2-CG2 3.83Å
567K96.3Very high94.5Very high0 Ų015.9 Ų15.90%08%0.084CC..EExtended strand (participates in β ladder)trans-139161.7-178.9-59.6-70.6-163.6-94.80109.7L418 T420 F557 L558 L560 I563 P564 L573 F574L418-K567 PolarHBondContact O-NZ 3.01Å; T420-K567 PolarHBondContact OG1-NZ 2.9Å; F557-K567 VanDerWaalsContact O-CD 3.24Å; F557-K567 WeakPolarHBondContact O-CD 3.24Å; F557-K567 WeakPolarHBondContact O-CE 3.37Å; L558-K567 WeakPolarHBondContact O-CA 3.37Å; L560-K567 WeakPolarHBondContact O-CE 3.33Å; L560-K567 VanDerWaalsContact O-CG 3.28Å; L560-K567 WeakPolarHBondContact O-CG 3.34Å; I563-K567 WeakPolarHBondContact O-CE 3.28Å; I563-K567 WeakPolarHBondContact O-CG 3.23Å; I563-K567 PolarHBondContact O-NZ 2.71Å; P564-K567 PolarHBondContact O-NZ 3.37Å; K567-L573 WeakPolarHBondContact O-CD1 3.41Å; K567-F574 PolarHBondContact N-O 3.35Å; K567-F574 PolarHBondContact O-N 3.11Å
568L97.4Very high94.4Very high1 Ų122.8 Ų22.81%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-121.6116177.5-173.869.2000110.1I411 I440 V442 A453 L558 S559 L573I411-L568 HydrophobicContact CD1-CB 4.06Å; I440-L568 HydrophobicContact CB-CD2 4.44Å; I440-L568 HydrophobicContact CG1-CD2 4.03Å; I440-L568 HydrophobicContact CG2-CD2 3.99Å; V442-L568 HydrophobicContact CB-CG 4.41Å; V442-L568 HydrophobicContact CG2-CB 4.28Å; V442-L568 HydrophobicContact CG2-CD2 4.09Å; V442-L568 HydrophobicContact CG2-CG 4.06Å; V442-L568 VanDerWaalsContact CG2-O 3.26Å; V442-L568 WeakPolarHBondContact CG2-O 3.5Å; A453-L568 HydrophobicContact CB-CD1 4.25Å; L558-L568 PolarHBondContact O-N 2.81Å; S559-L568 WeakPolarHBondContact CA-O 3.27Å; S559-L568 WeakPolarHBondContact CB-O 3.2Å; L568-L573 HydrophobicContact CD1-CB 4.39Å
569T97.4Very high94.1Very high0 Ų025.4 Ų25.40%013%0.125CC..EExtended strand (participates in β ladder)trans-98.8172.9173.975.30000110.2C159 D160 A453 P561 Q571 G572 F574C159-T569 VanDerWaalsContact O-CB 3.26Å; C159-T569 WeakPolarHBondContact O-CB 3.37Å; C159-T569 WeakPolarHBondContact O-CG2 3.32Å; C159-T569 PolarHBondContact O-OG1 3.24Å; D160-T569 HydrophobicContact CB-CG2 4.22Å; A453-T569 WeakPolarHBondContact CB-O 3.1Å; P561-T569 HydrophobicContact CB-CG2 4.1Å; P561-T569 HydrophobicContact CG-CG2 4.27Å; T569-Q571 PolarHBondContact O-N 2.95Å; T569-Q571 VanDerWaalsContact O-N 3.07Å; T569-Q571 PolarHBondContact OG1-N 3.18Å; T569-G572 PolarHBondContact N-O 3.5Å; T569-G572 PolarHBondContact O-N 2.96Å; T569-G572 VanDerWaalsContact O-N 3.16Å; T569-G572 PolarHBondContact OG1-N 3.4Å; T569-G572 PolarHBondContact OG1-O 2.97Å; T569-F574 HydrophobicContact CG2-CB 4.32Å
570S96.8Very high94.1Very high4 Ų427.4 Ų27.43%0.02814%0.142CC..THydrogen-bonded Turntrans-64.1-12.6174.369.40000113.4D160 V161 N477D160-S570 WeakPolarHBondContact OD1-CB 3.49Å; D160-S570 PolarHBondContact OD1-N 3.08Å; D160-S570 PolarHBondContact OD1-OG 3.34Å; V161-S570 PolarHBondContact N-OG 2.93Å; N477-S570 PolarHBondContact ND2-OG 3.47Å
571Q96.3Very high94.1Very high90 Ų9031.6 Ų31.642%0.42116%0.16SC..THydrogen-bonded Turntrans-98.5-15.9178.3-64.5-16457.700113.5G158 D160 V161 T569 F581G158-Q571 PolarHBondContact O-NE2 2.94Å; D160-Q571 VanDerWaalsContact C-NE2 3.29Å; D160-Q571 VanDerWaalsContact N-NE2 3.18Å; D160-Q571 PolarHBondContact O-NE2 3.16Å; D160-Q571 VanDerWaalsContact O-NE2 3.07Å; V161-Q571 HydrophobicContact CG2-CG 4.28Å; T569-Q571 PolarHBondContact O-N 2.95Å; T569-Q571 VanDerWaalsContact O-N 3.07Å; T569-Q571 PolarHBondContact OG1-N 3.18Å; Q571-F581 HydrophobicContact CB-CE1 3.81Å; Q571-F581 HydrophobicContact CB-CZ 3.61Å
572G96.4Very high94.2Very high16 Ų1633.1 Ų33.117%0.16517%0.17CC..EExtended strand (participates in β ladder)trans146.5-170.9175.200000114.6T569T569-G572 PolarHBondContact N-O 3.5Å; T569-G572 PolarHBondContact O-N 2.96Å; T569-G572 VanDerWaalsContact O-N 3.16Å; T569-G572 PolarHBondContact OG1-N 3.4Å; T569-G572 PolarHBondContact OG1-O 2.97Å
573L96.7Very high94.4Very high13 Ų1337 Ų377%0.06819%0.193CC..EExtended strand (participates in β ladder)trans-74.1125.7178.6-172.971.1000109.7R409 I411 L566 K567 L568 F581 T582 L584R409-L573 HydrophobicContact CB-CD2 4.08Å; I411-L573 HydrophobicContact CD1-CD1 4.06Å; I411-L573 HydrophobicContact CG1-CD1 4.08Å; L566-L573 HydrophobicContact CD2-CD2 4.5Å; L566-L573 HydrophobicContact CD2-CG 4.29Å; K567-L573 WeakPolarHBondContact O-CD1 3.41Å; L568-L573 HydrophobicContact CD1-CB 4.39Å; L573-F581 WeakPolarHBondContact O-CA 3.32Å; L573-T582 HydrophobicContact CB-CG2 4.38Å; L573-T582 HydrophobicContact CD2-CG2 3.86Å; L573-T582 HydrophobicContact CG-CG2 3.87Å; L573-T582 PolarHBondContact O-N 3.11Å; L573-L584 HydrophobicContact CD2-CD1 4.33Å
574F96.6Very high94.6Very high2 Ų238.5 Ų38.51%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-117.9135.5-174-164.8-92.5000110.9L156 C159 P561 L566 K567 T569 F579 F581L156-F574 HydrophobicContact CD1-CE1 4.14Å; L156-F574 HydrophobicContact CD1-CZ 4.03Å; C159-F574 HydrophobicContact CB-CD2 4.42Å; C159-F574 HydrophobicContact CB-CE2 3.95Å; C159-F574 HydrophobicContact CB-CZ 4.42Å; C159-F574 VanDerWaalsContact SG-CE2 3.54Å; P561-F574 HydrophobicContact CB-CD1 3.45Å; P561-F574 VanDerWaalsContact CB-CD1 3.45Å; P561-F574 HydrophobicContact CB-CE1 3.67Å; P561-F574 HydrophobicContact CB-CG 3.95Å; P561-F574 HydrophobicContact CB-CZ 4.32Å; P561-F574 WeakPolarHBondContact O-CE1 3.45Å; L566-F574 WeakPolarHBondContact CA-O 3.32Å; K567-F574 PolarHBondContact N-O 3.35Å; K567-F574 PolarHBondContact O-N 3.11Å; T569-F574 HydrophobicContact CG2-CB 4.32Å; F574-F579 HydrophobicContact CE1-CD1 4.36Å; F574-F579 VanDerWaalsContact CZ-C 3.47Å; F574-F579 HydrophobicContact CZ-CB 4.41Å; F574-F579 HydrophobicContact CZ-CD1 4.45Å; F574-F581 AromaticContact CD2-CD1 3.96Å; F574-F581 HydrophobicContact CD2-CD1 3.96Å; F574-F581 AromaticContact CD2-CE1 3.99Å; F574-F581 HydrophobicContact CD2-CE1 3.99Å; F574-F581 HydrophobicContact CD2-CG 4.24Å; F574-F581 HydrophobicContact CD2-CZ 4.3Å
575D94.9Very high95Very high14 Ų1440.4 Ų40.48%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-99.5102.8174.2-176.3-29.5000108.5L566 E577 K578 F579 A580 T582L566-D575 HydrophobicContact CD2-CB 4.2Å; D575-E577 VanDerWaalsContact C-N 3.25Å; D575-E577 PolarHBondContact O-N 3.02Å; D575-E577 WeakPolarHBondContact OD1-CB 3.4Å; D575-E577 PolarHBondContact OD1-N 3.28Å; D575-K578 HydrophobicContact CB-CB 4.29Å; D575-K578 PolarHBondContact O-N 3.05Å; D575-K578 PolarHBondContact OD1-N 3Å; D575-K578 WeakPolarHBondContact OD2-CG 3.22Å; D575-K578 IonicContact OD2-NZ 3.19Å; D575-K578 PolarHBondContact OD2-NZ 3.28Å; D575-F579 VanDerWaalsContact O-CA 3.31Å; D575-F579 WeakPolarHBondContact O-CA 3.46Å; D575-F579 PolarHBondContact O-N 2.96Å; D575-A580 PolarHBondContact N-O 2.8Å; D575-A580 PolarHBondContact O-N 3.25Å; D575-T582 HydrophobicContact CB-CG2 4.21Å
576G92.4Very high95Very high0 Ų041.4 Ų41.40%021%0.213CC..THydrogen-bonded Turntrans-74.1-8.1-179.600000114.3A565 F579A565-G576 PolarHBondContact O-N 2.96Å; G576-F579 WeakPolarHBondContact O-CE2 3.42Å; G576-F579 WeakPolarHBondContact O-CZ 3.36Å
577E90.8Very high94.4Very high138 Ų13846.2 Ų46.265%0.64524%0.243SC*.THydrogen-bonded Turntrans-84.7-39.4168.1-61.4-174.8137.800110.7P564 A565 D575P564-E577 HydrophobicContact CB-CG 3.89Å; A565-E577 HydrophobicContact CB-CG 4.12Å; D575-E577 VanDerWaalsContact C-N 3.25Å; D575-E577 PolarHBondContact O-N 3.02Å; D575-E577 WeakPolarHBondContact OD1-CB 3.4Å; D575-E577 PolarHBondContact OD1-N 3.28Å
578K91.8Very high92.9Very high152 Ų15256.8 Ų56.866%0.66129%0.293SS*.THydrogen-bonded Turntrans-90.7-12.1-179.8-60.9-166.8-167.291.80114.2D575 A580D575-K578 HydrophobicContact CB-CB 4.29Å; D575-K578 PolarHBondContact O-N 3.05Å; D575-K578 PolarHBondContact OD1-N 3Å; D575-K578 WeakPolarHBondContact OD2-CG 3.22Å; D575-K578 IonicContact OD2-NZ 3.19Å; D575-K578 PolarHBondContact OD2-NZ 3.28Å; K578-A580 VanDerWaalsContact C-N 3.33Å; K578-A580 PolarHBondContact O-N 2.97Å
579F91.8Very high92.7Very high56 Ų5659.6 Ų59.625%0.24631%0.307CS..THydrogen-bonded Turntrans52.149.2-171.6-72.2-90.5000112.6L156 Y189 P190 F574 D575 G576L156-F579 HydrophobicContact CD1-CD1 3.74Å; L156-F579 HydrophobicContact CD1-CE1 3.86Å; L156-F579 HydrophobicContact CD2-CD1 4.42Å; L156-F579 HydrophobicContact CD2-CE1 4.41Å; Y189-F579 AromaticContact CE1-CZ 3.93Å; Y189-F579 HydrophobicContact CE1-CZ 3.93Å; Y189-F579 HydrophobicContact CE2-CE2 4.17Å; Y189-F579 HydrophobicContact CE2-CZ 4.1Å; Y189-F579 AromaticContact CZ-CE2 3.88Å; Y189-F579 AromaticContact CZ-CZ 3.5Å; Y189-F579 VanDerWaalsContact CZ-CZ 3.5Å; Y189-F579 WeakPolarHBondContact OH-CE2 3.41Å; Y189-F579 VanDerWaalsContact OH-CZ 3.25Å; Y189-F579 WeakPolarHBondContact OH-CZ 3.46Å; P190-F579 HydrophobicContact CB-CD2 4.41Å; P190-F579 HydrophobicContact CB-CE2 4.45Å; P190-F579 HydrophobicContact CB-CG 4.49Å; P190-F579 HydrophobicContact CG-CD1 3.74Å; P190-F579 HydrophobicContact CG-CD2 3.74Å; P190-F579 HydrophobicContact CG-CE1 3.42Å; P190-F579 VanDerWaalsContact CG-CE1 3.42Å; P190-F579 HydrophobicContact CG-CE2 3.4Å; P190-F579 VanDerWaalsContact CG-CE2 3.4Å; P190-F579 HydrophobicContact CG-CG 3.9Å; P190-F579 HydrophobicContact CG-CZ 3.24Å; F574-F579 HydrophobicContact CE1-CD1 4.36Å; F574-F579 VanDerWaalsContact CZ-C 3.47Å; F574-F579 HydrophobicContact CZ-CB 4.41Å; F574-F579 HydrophobicContact CZ-CD1 4.45Å; D575-F579 VanDerWaalsContact O-CA 3.31Å; D575-F579 WeakPolarHBondContact O-CA 3.46Å; D575-F579 PolarHBondContact O-N 2.96Å; G576-F579 WeakPolarHBondContact O-CE2 3.42Å; G576-F579 WeakPolarHBondContact O-CZ 3.36Å
580A94.9Very high92.5Very high44 Ų4462.7 Ų62.736%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-149151.1-178.200000112.6D575 K578D575-A580 PolarHBondContact N-O 2.8Å; D575-A580 PolarHBondContact O-N 3.25Å; K578-A580 VanDerWaalsContact C-N 3.33Å; K578-A580 PolarHBondContact O-N 2.97Å
581F96.4Very high92.2Very high92 Ų9266 Ų6640%0.40434%0.339SS..EExtended strand (participates in β ladder)trans-64.9141.5168-70.3-73.3000111.3C159 Q571 L573 F574C159-F581 VanDerWaalsContact O-CZ 3.32Å; C159-F581 WeakPolarHBondContact O-CZ 3.38Å; Q571-F581 HydrophobicContact CB-CE1 3.81Å; Q571-F581 HydrophobicContact CB-CZ 3.61Å; L573-F581 WeakPolarHBondContact O-CA 3.32Å; F574-F581 AromaticContact CD2-CD1 3.96Å; F574-F581 HydrophobicContact CD2-CD1 3.96Å; F574-F581 AromaticContact CD2-CE1 3.99Å; F574-F581 HydrophobicContact CD2-CE1 3.99Å; F574-F581 HydrophobicContact CD2-CG 4.24Å; F574-F581 HydrophobicContact CD2-CZ 4.3Å
582T95.6Very high92Very high36 Ų3664.6 Ų64.622%0.22134%0.335CS..  trans-131.1162.6177-178.70000110.6L566 L573 D575L566-T582 HydrophobicContact CD2-CG2 3.83Å; L573-T582 HydrophobicContact CB-CG2 4.38Å; L573-T582 HydrophobicContact CD2-CG2 3.86Å; L573-T582 HydrophobicContact CG-CG2 3.87Å; L573-T582 PolarHBondContact O-N 3.11Å; D575-T582 HydrophobicContact CB-CG2 4.21Å
583T94.9Very high91.7Very high80 Ų8067.6 Ų67.649%0.49135%0.345SS..  trans-87.3152.5179.558.40000112R409 E585R409-T583 WeakPolarHBondContact CD-O 3.34Å; R409-T583 PolarHBondContact NH1-O 3.32Å; R409-T583 PolarHBondContact NH1-OG1 3.28Å; T583-E585 PolarHBondContact OG1-O 2.95Å
584L94.7Very high91.4Very high33 Ų3371.3 Ų71.317%0.17336%0.364CS..SBendtrans-68.5-44.4173.7-168.967.4000111.7L400 F402 Y408 R409 L456 L573L400-L584 HydrophobicContact CD2-CD2 4.22Å; F402-L584 HydrophobicContact CE1-CD2 4.19Å; Y408-L584 CarbonylContact C-O 3.51Å; Y408-L584 VanDerWaalsContact CA-O 3.31Å; Y408-L584 WeakPolarHBondContact CA-O 3.32Å; Y408-L584 HydrophobicContact CD1-CD2 4.4Å; Y408-L584 HydrophobicContact CD1-CG 4.12Å; R409-L584 PolarHBondContact N-O 3.37Å; R409-L584 VanDerWaalsContact O-CD1 3.3Å; R409-L584 WeakPolarHBondContact O-CD1 3.3Å; L456-L584 HydrophobicContact CD1-CD1 4.34Å; L456-L584 HydrophobicContact CG-CD1 4.16Å; L456-L584 HydrophobicContact CG-CD2 4.47Å; L573-L584 HydrophobicContact CD2-CD1 4.33Å
585E95.4Very high91Very high62 Ų6276.2 Ų76.229%0.2939%0.389SS..BIsolated β-bridgetrans-72133.2173.4-173.7175.6156.200110.6K406 Y408 R409 T583 T587K406-E585 IonicContact NZ-OE1 2.66Å; K406-E585 PolarHBondContact NZ-OE1 3.28Å; Y408-E585 HydrophobicContact CD1-CB 4.18Å; Y408-E585 HydrophobicContact CE1-CB 3.92Å; Y408-E585 HydrophobicContact CE1-CG 4.26Å; R409-E585 PolarHBondContact NH1-O 3.19Å; T583-E585 PolarHBondContact OG1-O 2.95Å; E585-T587 PolarHBondContact O-N 2.84Å
586V92.6Very high90.7Very high32 Ų3281 Ų8119%0.19441%0.413CS..  trans-79.7106172.7-177.70000108.5R407 R409R407-V586 HydrophobicContact CB-CB 4.08Å; R407-V586 HydrophobicContact CB-CG2 4.28Å; R407-V586 PolarHBondContact O-N 3.28Å; R409-V586 HydrophobicContact CG-CG2 3.67Å
587T83.6Confident90.6Very high105 Ų10587.8 Ų87.864%0.64445%0.448SS*.  trans-80.1119.4167.840.10000109.4E585E585-T587 PolarHBondContact O-N 2.84Å
588E64.6Low90.6Very high223 Ų22383.2 Ų83.2100%1.04243%0.43SS*.  trans-72.20172.2-75.4179.3-161.600112.7R407R407-E588 IonicContact CZ-OE1 3.7Å; R407-E588 IonicContact NE-OE1 3.53Å; R407-E588 IonicContact NH2-OE1 3.72Å; R407-E588 PolarHBondContact NH2-OE1 2.84Å

Retrieved 588 of 588 residues in 190.4 ms (Link to these results)

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