A0A096NUJ5_PAPAN Loading...

Glycerophosphodiester phosphodiesterase 1

Hydrolyzes the phosphodiester bond of glycerophosphodiesters such as glycerophosphoinositol (GroPIns) and glycerophosphoethanolamine (GroPEth), to yield a glycerol phosphate and an alcohol. Hydrolyzes glycerophospho-N-acylethanolamines to N-acylethanolamines in the brain and participates in bioactive N-acylethanolamine biosynthesis such as anandamide (an endocannabinoid), N-palmitoylethanolamine (an anti-inflammatory), and N-oleoylethanolamine (an anorexic). In addition, has a lysophospholipase D activity by hydrolyzing N-acyl-lysoplasmenylethanolamine (N-acyl-lysoPlsEt) to N-acylethanolamine. However lysophospholipase D activity is lower than glycerophosphodiester phosphodiesterase activity. Has little or no activity towards glycerophosphocholine.

AlphaFold DB (A0A2K5NBE7), UniProt , Accession A0A096NUJ5, Species PAPAN (Papio anubis, Olive baboon), Gene GDE1, Length 331 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low49.7Very low219 Ų219123.8 Ų123.8100%1.07963%0.631SS**  0230-153.5169.869.700112.5
2W35.8Very low52Low203 Ų203114.3 Ų114.377%0.76959%0.587SS**  trans-128.120.9-170-79.489.7000113.2E5W2-E5 WeakPolarHBondContact CZ3-OE2 3.38Å
3L32.5Very low54.2Low172 Ų172107.5 Ų107.590%0.90155%0.554SS**SBendtrans-105.46.7-176.2-78.1165.1000113.9
4W40.3Very low56.5Low137 Ų137101.9 Ų101.952%0.51952%0.524SS..SBendtrans-118.83.5-172.6-72.5-22.7000115.1F16 L19W4-F16 HydrophobicContact CH2-CB 4.02Å; W4-F16 HydrophobicContact CH2-CD2 4.09Å; W4-F16 HydrophobicContact CZ3-CB 3.59Å; W4-F16 AromaticContact CZ3-CD2 3.88Å; W4-F16 HydrophobicContact CZ3-CD2 3.88Å; W4-F16 HydrophobicContact CZ3-CG 4.11Å; W4-L19 HydrophobicContact CH2-CD1 4.42Å
5E48.6Very low58.6Low91 Ų9197.9 Ų97.943%0.42551%0.509SS..THydrogen-bonded Turntrans-78.9-23.3-174.5-72.7-169127.800114.4W2 Q7 K288W2-E5 WeakPolarHBondContact CZ3-OE2 3.38Å; E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 2.72Å; E5-K288 IonicContact OE1-NZ 2.73Å; E5-K288 PolarHBondContact OE1-NZ 3.33Å
6D46.1Very low60.3Low169 Ų16999 Ų9990%0.90451%0.509SS*.THydrogen-bonded Turntrans-80.2-12-174.2-72.9-30.6000114.3G8D6-G8 PolarHBondContact O-N 3.04Å
7Q41.3Very low62Low150 Ų15096.2 Ų96.270%0.70150%0.495SS*.SBendtrans-99.653.3173.6-64.3-160.4-0.200112.1E5 G9E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 2.72Å; Q7-G9 VanDerWaalsContact C-N 3.34Å; Q7-G9 PolarHBondContact O-N 2.81Å
8G50.2Low63.7Low64 Ų6493.7 Ų93.766%0.6648%0.482SS*.  trans31.645.7142.900000120.2D6D6-G8 PolarHBondContact O-N 3.04Å
9G64Low65.2Low33 Ų3393.7 Ų93.734%0.3448%0.483SS..SBendtrans174.5-173.2177.300000115.2Q7 L11Q7-G9 VanDerWaalsContact C-N 3.34Å; Q7-G9 PolarHBondContact O-N 2.81Å; G9-L11 PolarHBondContact O-N 3.25Å; G9-L11 VanDerWaalsContact O-N 3.13Å
10L72.6Confident66.6Low18 Ų1891.9 Ų91.99%0.09448%0.476CS..THydrogen-bonded Turntrans-66.5-3.6175-69.1170000113.5G12 P13 F14 F39 L42 N263 Y267L10-G12 PolarHBondContact O-N 3.24Å; L10-P13 WeakPolarHBondContact O-CD 3.04Å; L10-F14 HydrophobicContact CB-CD2 3.95Å; L10-F14 HydrophobicContact CB-CE2 4.16Å; L10-F14 HydrophobicContact CD1-CE2 4.44Å; L10-F14 HydrophobicContact CD2-CE2 4.3Å; L10-F14 VanDerWaalsContact O-CD2 3.23Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 2.71Å; L10-F39 HydrophobicContact CB-CE2 4.38Å; L10-F39 HydrophobicContact CD1-CE2 4.05Å; L10-L42 HydrophobicContact CD1-CD2 3.55Å; L10-L42 HydrophobicContact CD1-CG 4.35Å; L10-L42 HydrophobicContact CD2-CD2 3.74Å; L10-L42 HydrophobicContact CG-CD2 4.27Å; L10-N263 WeakPolarHBondContact CD2-O 3.46Å; L10-Y267 HydrophobicContact CD1-CD1 3.62Å; L10-Y267 HydrophobicContact CD1-CD2 4.24Å; L10-Y267 HydrophobicContact CD1-CE1 3.62Å; L10-Y267 HydrophobicContact CD1-CE2 4.24Å; L10-Y267 HydrophobicContact CD1-CG 3.98Å; L10-Y267 HydrophobicContact CD2-CD1 4.22Å; L10-Y267 HydrophobicContact CD2-CG 4.18Å; L10-Y267 HydrophobicContact CG-CD1 4.29Å; L10-Y267 HydrophobicContact CG-CD2 4.47Å; L10-Y267 HydrophobicContact CG-CG 4.22Å
11L77.3Confident67.8Low106 Ų10688.9 Ų88.956%0.55546%0.46SS*.Hα-helixtrans-64.4-38.7-170-156.8126.3000113.1G9 S15G9-L11 PolarHBondContact O-N 3.25Å; G9-L11 VanDerWaalsContact O-N 3.13Å; L11-S15 VanDerWaalsContact O-CB 3.29Å; L11-S15 WeakPolarHBondContact O-CB 3.3Å; L11-S15 PolarHBondContact O-N 3.21Å; L11-S15 PolarHBondContact O-OG 3.1Å
12G78.3Confident70.6Confident9 Ų981.3 Ų81.39%0.09342%0.424CS..Hα-helixtrans-61.4-59.5177.200000113.1L10 F14 S15 F16L10-G12 PolarHBondContact O-N 3.24Å; G12-F14 VanDerWaalsContact C-N 3.3Å; G12-F14 PolarHBondContact O-N 2.95Å; G12-S15 PolarHBondContact O-N 3.36Å; G12-S15 VanDerWaalsContact O-N 3.15Å; G12-F16 PolarHBondContact O-N 3.23Å
13P80.4Confident73.3Confident26 Ų2678.3 Ų78.317%0.16942%0.422CS..Hα-helixtrans-55.3-41.3177.4-28.234.7000113.8L10 F16 L17 N263L10-P13 WeakPolarHBondContact O-CD 3.04Å; P13-F16 PolarHBondContact O-N 3.35Å; P13-L17 WeakPolarHBondContact O-CB 3.31Å; P13-L17 PolarHBondContact O-N 2.9Å; P13-N263 HydrophobicContact CG-CB 4.06Å; P13-N263 WeakPolarHBondContact CG-OD1 3.44Å
14F85.9Confident76.3Confident29 Ų2975.3 Ų75.313%0.12741%0.411CS..Hα-helixtrans-73.5-30179.7-82.1-93.2000113L10 G12 L17 L18 T35 L38 F39 L42L10-F14 HydrophobicContact CB-CD2 3.95Å; L10-F14 HydrophobicContact CB-CE2 4.16Å; L10-F14 HydrophobicContact CD1-CE2 4.44Å; L10-F14 HydrophobicContact CD2-CE2 4.3Å; L10-F14 VanDerWaalsContact O-CD2 3.23Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 2.71Å; G12-F14 VanDerWaalsContact C-N 3.3Å; G12-F14 PolarHBondContact O-N 2.95Å; F14-L17 HydrophobicContact CD1-CD2 4.28Å; F14-L17 HydrophobicContact CE1-CD2 4.36Å; F14-L17 PolarHBondContact O-N 2.84Å; F14-L18 WeakPolarHBondContact O-CB 3.23Å; F14-L18 PolarHBondContact O-N 3.39Å; F14-T35 HydrophobicContact CB-CG2 4.39Å; F14-T35 HydrophobicContact CD1-CG2 3.84Å; F14-L38 HydrophobicContact CE1-CB 4.15Å; F14-F39 HydrophobicContact CD1-CB 3.88Å; F14-F39 HydrophobicContact CD1-CD2 4.17Å; F14-F39 HydrophobicContact CD2-CD2 4.24Å; F14-F39 HydrophobicContact CE1-CB 3.53Å; F14-F39 HydrophobicContact CE1-CD2 4.09Å; F14-F39 HydrophobicContact CE1-CG 4.33Å; F14-F39 VanDerWaalsContact CE1-N 3.34Å; F14-F39 HydrophobicContact CE2-CD2 4.12Å; F14-F39 HydrophobicContact CG-CD2 4.24Å; F14-F39 HydrophobicContact CZ-CB 4.1Å; F14-F39 HydrophobicContact CZ-CD2 4.04Å; F14-L42 HydrophobicContact CE2-CD2 3.56Å; F14-L42 HydrophobicContact CZ-CB 4.34Å; F14-L42 HydrophobicContact CZ-CD2 3.7Å
15S87.9Confident78.9Confident43 Ų4370.8 Ų70.830%0.30140%0.398SS..Hα-helixtrans-66.7-42171.4-60.30000111.4L11 G12 L18 L19L11-S15 VanDerWaalsContact O-CB 3.29Å; L11-S15 WeakPolarHBondContact O-CB 3.3Å; L11-S15 PolarHBondContact O-N 3.21Å; L11-S15 PolarHBondContact O-OG 3.1Å; G12-S15 PolarHBondContact O-N 3.36Å; G12-S15 VanDerWaalsContact O-N 3.15Å; S15-L18 PolarHBondContact O-N 3.38Å; S15-L19 WeakPolarHBondContact O-CG 3.33Å; S15-L19 PolarHBondContact O-N 3.24Å; S15-L19 VanDerWaalsContact O-N 3.16Å
16F86.8Confident81Confident115 Ų11577.3 Ų77.350%0.50442%0.419SS..Hα-helixtrans-61.2-48.1173.4-173.2-110.2000112W4 G12 P13 L18 L19 V20W4-F16 HydrophobicContact CH2-CB 4.02Å; W4-F16 HydrophobicContact CH2-CD2 4.09Å; W4-F16 HydrophobicContact CZ3-CB 3.59Å; W4-F16 AromaticContact CZ3-CD2 3.88Å; W4-F16 HydrophobicContact CZ3-CD2 3.88Å; W4-F16 HydrophobicContact CZ3-CG 4.11Å; G12-F16 PolarHBondContact O-N 3.23Å; P13-F16 PolarHBondContact O-N 3.35Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.75Å; F16-L19 WeakPolarHBondContact O-CB 3.19Å; F16-L19 PolarHBondContact O-N 2.9Å; F16-L19 VanDerWaalsContact O-N 3.13Å; F16-V20 HydrophobicContact CD1-CG2 4.2Å; F16-V20 HydrophobicContact CE1-CG2 3.79Å; F16-V20 HydrophobicContact CE2-CG2 4.35Å; F16-V20 HydrophobicContact CZ-CG2 3.87Å; F16-V20 WeakPolarHBondContact O-CG2 3.29Å; F16-V20 PolarHBondContact O-N 3.07Å
17L88.4Confident83.4Confident52 Ų5270.6 Ų70.627%0.27239%0.385SS..Hα-helixtrans-58.2-42.5178.8178.862.3000111.4P13 F14 L19 V20 L21 L38P13-L17 WeakPolarHBondContact O-CB 3.31Å; P13-L17 PolarHBondContact O-N 2.9Å; F14-L17 HydrophobicContact CD1-CD2 4.28Å; F14-L17 HydrophobicContact CE1-CD2 4.36Å; F14-L17 PolarHBondContact O-N 2.84Å; L17-L19 PolarHBondContact O-N 3.28Å; L17-V20 PolarHBondContact O-N 3.21Å; L17-L21 HydrophobicContact CD1-CD1 3.97Å; L17-L21 HydrophobicContact CD1-CG 4.14Å; L17-L21 HydrophobicContact CG-CD1 3.88Å; L17-L21 HydrophobicContact CG-CG 4.44Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 2.93Å; L17-L38 HydrophobicContact CD2-CD1 3.76Å
18L92.4Very high86Confident51 Ų5167.5 Ų67.527%0.26738%0.378SS..Hα-helixtrans-58.6-46.8175.2-178.263.3000111.6F14 S15 F16 V20 L21 L22 A31 T35F14-L18 WeakPolarHBondContact O-CB 3.23Å; F14-L18 PolarHBondContact O-N 3.39Å; S15-L18 PolarHBondContact O-N 3.38Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.75Å; L18-V20 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 3.4Å; L18-L22 HydrophobicContact CG-CD1 4.22Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 3.12Å; L18-A31 HydrophobicContact CD1-CB 4Å; L18-T35 HydrophobicContact CB-CG2 4.19Å
19L93.2Very high88.1Confident94 Ų9468.9 Ų68.949%0.49237%0.374SS..Hα-helixtrans-61.6-42.9178.2-69.3172.2000112.2W4 S15 F16 L17 L22 L23W4-L19 HydrophobicContact CH2-CD1 4.42Å; S15-L19 WeakPolarHBondContact O-CG 3.33Å; S15-L19 PolarHBondContact O-N 3.24Å; S15-L19 VanDerWaalsContact O-N 3.16Å; F16-L19 WeakPolarHBondContact O-CB 3.19Å; F16-L19 PolarHBondContact O-N 2.9Å; F16-L19 VanDerWaalsContact O-N 3.13Å; L17-L19 PolarHBondContact O-N 3.28Å; L19-L22 HydrophobicContact CD2-CD1 4.4Å; L19-L22 WeakPolarHBondContact O-CB 3.46Å; L19-L22 PolarHBondContact O-N 2.99Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.74Å
20V91.8Very high89.6Confident57 Ų5771.1 Ų71.135%0.34538%0.378SS..Hα-helixtrans-62.8-46.8175.9173.30000110.7F16 L17 L18 L22 L23 V24F16-V20 HydrophobicContact CD1-CG2 4.2Å; F16-V20 HydrophobicContact CE1-CG2 3.79Å; F16-V20 HydrophobicContact CE2-CG2 4.35Å; F16-V20 HydrophobicContact CZ-CG2 3.87Å; F16-V20 WeakPolarHBondContact O-CG2 3.29Å; F16-V20 PolarHBondContact O-N 3.07Å; L17-V20 PolarHBondContact O-N 3.21Å; L18-V20 PolarHBondContact O-N 2.86Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.31Å; V20-L23 PolarHBondContact O-N 3.01Å; V20-L23 VanDerWaalsContact O-N 3.17Å; V20-V24 HydrophobicContact CG1-CG2 4.36Å; V20-V24 WeakPolarHBondContact O-CG2 3.48Å; V20-V24 PolarHBondContact O-N 2.81Å
21L93.4Very high90.6Very high28 Ų2870.3 Ų70.315%0.14737%0.373CS..Hα-helixtrans-66.7-32179.5-71.3172.5000112.5L17 L18 L23 V24 T25 A31 L34 T35L17-L21 HydrophobicContact CD1-CD1 3.97Å; L17-L21 HydrophobicContact CD1-CG 4.14Å; L17-L21 HydrophobicContact CG-CD1 3.88Å; L17-L21 HydrophobicContact CG-CG 4.44Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 2.93Å; L18-L21 PolarHBondContact O-N 3.4Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-V24 PolarHBondContact O-N 3.01Å; L21-T25 VanDerWaalsContact O-CB 3.29Å; L21-T25 WeakPolarHBondContact O-CB 3.32Å; L21-T25 VanDerWaalsContact O-CG2 3.32Å; L21-T25 WeakPolarHBondContact O-CG2 3.3Å; L21-T25 PolarHBondContact O-N 2.82Å; L21-T25 PolarHBondContact O-OG1 2.84Å; L21-A31 HydrophobicContact CB-CB 3.93Å; L21-L34 HydrophobicContact CD1-CB 3.8Å; L21-L34 HydrophobicContact CD2-CD1 4.12Å; L21-T35 WeakPolarHBondContact CD1-OG1 3.25Å
22L94.7Very high91.5Very high61 Ų6168.7 Ų68.732%0.31937%0.371SS..Hα-helixtrans-60.4-43.9171.6-78.2168.6000111.3L18 L19 V20 R26 P28 A31L18-L22 HydrophobicContact CG-CD1 4.22Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 3.12Å; L19-L22 HydrophobicContact CD2-CD1 4.4Å; L19-L22 WeakPolarHBondContact O-CB 3.46Å; L19-L22 PolarHBondContact O-N 2.99Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.31Å; L22-R26 VanDerWaalsContact O-CA 3.27Å; L22-R26 WeakPolarHBondContact O-CA 3.33Å; L22-R26 PolarHBondContact O-N 2.57Å; L22-P28 HydrophobicContact CD2-CB 4.07Å; L22-A31 HydrophobicContact CB-CB 4.34Å; L22-A31 HydrophobicContact CD2-CB 3.63Å; L22-A31 HydrophobicContact CG-CB 3.7Å
23L93.9Very high92.3Very high139 Ų13973.4 Ų73.473%0.72839%0.393SS*.Hα-helixtrans-67.8-42.4178.6-67.5171.4000112.3L19 V20 L21L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.74Å; V20-L23 PolarHBondContact O-N 3.01Å; V20-L23 VanDerWaalsContact O-N 3.17Å; L21-L23 VanDerWaalsContact C-N 3.34Å
24V94.3Very high93Very high109 Ų10976.1 Ų76.166%0.66141%0.406SS*.Hα-helixtrans-73.4-49.4-177173.40000111.6V20 L21V20-V24 HydrophobicContact CG1-CG2 4.36Å; V20-V24 WeakPolarHBondContact O-CG2 3.48Å; V20-V24 PolarHBondContact O-N 2.81Å; L21-V24 PolarHBondContact O-N 3.01Å
25T94.8Very high93.3Very high42 Ų4275.4 Ų75.426%0.25840%0.404SS..Hα-helixtrans-81-20.6-175.5660000112.9L21 S27 N30 L34L21-T25 VanDerWaalsContact O-CB 3.29Å; L21-T25 WeakPolarHBondContact O-CB 3.32Å; L21-T25 VanDerWaalsContact O-CG2 3.32Å; L21-T25 WeakPolarHBondContact O-CG2 3.3Å; L21-T25 PolarHBondContact O-N 2.82Å; L21-T25 PolarHBondContact O-OG1 2.84Å; T25-S27 PolarHBondContact O-N 2.78Å; T25-S27 PolarHBondContact OG1-N 3.36Å; T25-S27 PolarHBondContact OG1-O 3.11Å; T25-N30 HydrophobicContact CG2-CB 4.22Å; T25-L34 HydrophobicContact CG2-CD1 4.04Å
26R94.2Very high93.5Very high228 Ų22875 Ų7586%0.8641%0.406SS*.  trans5125.5-171.6-57.5-175.5176.6177.9-1.1113.3L22L22-R26 VanDerWaalsContact O-CA 3.27Å; L22-R26 WeakPolarHBondContact O-CA 3.33Å; L22-R26 PolarHBondContact O-N 2.57Å
27S95.9Very high93.8Very high28 Ų2872.7 Ų72.720%0.19640%0.404CS..  trans-138.3118.7-177.9169.50000109.7T25 V29 N30 A31T25-S27 PolarHBondContact O-N 2.78Å; T25-S27 PolarHBondContact OG1-N 3.36Å; T25-S27 PolarHBondContact OG1-O 3.11Å; S27-V29 VanDerWaalsContact C-N 3.25Å; S27-V29 PolarHBondContact O-N 3.2Å; S27-N30 PolarHBondContact O-N 3.24Å; S27-N30 PolarHBondContact OG-N 2.93Å; S27-A31 WeakPolarHBondContact O-CB 3.01Å; S27-A31 PolarHBondContact O-N 3.09Å
28P94.8Very high94Very high85 Ų8574 Ų7455%0.55241%0.411SS*.Hα-helixtrans-63.3-34.8178.125.5-32.7000112L22 C32L22-P28 HydrophobicContact CD2-CB 4.07Å; P28-C32 VanDerWaalsContact O-CB 3.31Å; P28-C32 WeakPolarHBondContact O-CB 3.34Å; P28-C32 PolarHBondContact O-N 3.15Å; P28-C32 PolarHBondContact O-SG 3.04Å
29V96.1Very high93.9Very high93 Ų9375.6 Ų75.656%0.56442%0.416SS*.Hα-helixtrans-63.6-49.7177.7178.60000110.5S27 C32 L33S27-V29 VanDerWaalsContact C-N 3.25Å; S27-V29 PolarHBondContact O-N 3.2Å; V29-C32 PolarHBondContact O-N 3.25Å; V29-L33 HydrophobicContact CG1-CD1 3.88Å; V29-L33 HydrophobicContact CG1-CG 4.4Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 VanDerWaalsContact O-CG 3.28Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 2.64Å
30N94.6Very high93.8Very high81 Ų8175.2 Ų75.243%0.43342%0.418SS..Hα-helixtrans-67.2-40.5-178.5-66.7-14000111.7T25 S27 L33 L34T25-N30 HydrophobicContact CG2-CB 4.22Å; S27-N30 PolarHBondContact O-N 3.24Å; S27-N30 PolarHBondContact OG-N 2.93Å; N30-L33 PolarHBondContact O-N 2.85Å; N30-L34 WeakPolarHBondContact O-CB 3.3Å; N30-L34 VanDerWaalsContact O-CG 3.32Å; N30-L34 WeakPolarHBondContact O-CG 3.48Å; N30-L34 PolarHBondContact O-N 2.9Å
31A94.6Very high93.8Very high0 Ų076.7 Ų76.70%042%0.423CS..Hα-helixtrans-62.6-44.1177.100000112L18 L21 L22 S27 T35L18-A31 HydrophobicContact CD1-CB 4Å; L21-A31 HydrophobicContact CB-CB 3.93Å; L22-A31 HydrophobicContact CB-CB 4.34Å; L22-A31 HydrophobicContact CD2-CB 3.63Å; L22-A31 HydrophobicContact CG-CB 3.7Å; S27-A31 WeakPolarHBondContact O-CB 3.01Å; S27-A31 PolarHBondContact O-N 3.09Å; A31-T35 VanDerWaalsContact O-CB 3.29Å; A31-T35 WeakPolarHBondContact O-CB 3.28Å; A31-T35 PolarHBondContact O-N 3.14Å; A31-T35 PolarHBondContact O-OG1 3.17Å
32C95.1Very high93.6Very high73 Ų7376.3 Ų76.349%0.49342%0.421SS..Hα-helixtrans-64.6-44.9175.3-73.50000112P28 V29 G36P28-C32 VanDerWaalsContact O-CB 3.31Å; P28-C32 WeakPolarHBondContact O-CB 3.34Å; P28-C32 PolarHBondContact O-N 3.15Å; P28-C32 PolarHBondContact O-SG 3.04Å; V29-C32 PolarHBondContact O-N 3.25Å; C32-G36 PolarHBondContact O-N 3.38Å
33L95.5Very high93.3Very high107 Ų10779.3 Ų79.356%0.5643%0.428SS*.Hα-helixtrans-60.8-50.5178.5-75.7173.5000111.3V29 N30 T35 G36 S37V29-L33 HydrophobicContact CG1-CD1 3.88Å; V29-L33 HydrophobicContact CG1-CG 4.4Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 VanDerWaalsContact O-CG 3.28Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 2.64Å; N30-L33 PolarHBondContact O-N 2.85Å; L33-T35 PolarHBondContact O-N 2.99Å; L33-G36 PolarHBondContact O-N 3.42Å; L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.46Å; L33-S37 PolarHBondContact O-OG 2.95Å
34L93.9Very high93.3Very high84 Ų8477.6 Ų77.644%0.4442%0.423SS..Hα-helixtrans-62.8-45179.9-72.3172.1000112.1L21 T25 N30 S37 L38L21-L34 HydrophobicContact CD1-CB 3.8Å; L21-L34 HydrophobicContact CD2-CD1 4.12Å; T25-L34 HydrophobicContact CG2-CD1 4.04Å; N30-L34 WeakPolarHBondContact O-CB 3.3Å; N30-L34 VanDerWaalsContact O-CG 3.32Å; N30-L34 WeakPolarHBondContact O-CG 3.48Å; N30-L34 PolarHBondContact O-N 2.9Å; L34-S37 PolarHBondContact O-N 3.28Å; L34-L38 WeakPolarHBondContact O-CB 3.25Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.03Å; L34-L38 PolarHBondContact O-N 3.09Å
35T92.8Very high93.2Very high14 Ų1477.6 Ų77.69%0.08641%0.414CS..Hα-helixtrans-63-45.8177.8-53.70000111.1F14 L18 L21 A31 L33 L38 F39F14-T35 HydrophobicContact CB-CG2 4.39Å; F14-T35 HydrophobicContact CD1-CG2 3.84Å; L18-T35 HydrophobicContact CB-CG2 4.19Å; L21-T35 WeakPolarHBondContact CD1-OG1 3.25Å; A31-T35 VanDerWaalsContact O-CB 3.29Å; A31-T35 WeakPolarHBondContact O-CB 3.28Å; A31-T35 PolarHBondContact O-N 3.14Å; A31-T35 PolarHBondContact O-OG1 3.17Å; L33-T35 PolarHBondContact O-N 2.99Å; T35-L38 PolarHBondContact O-N 2.9Å; T35-F39 WeakPolarHBondContact O-CB 3.34Å; T35-F39 PolarHBondContact O-N 3.39Å
36G92.4Very high93.2Very high34 Ų3476.6 Ų76.635%0.35141%0.409SS..Hα-helixtrans-63.6-44.317800000112.4C32 L33 L38 F39 V40C32-G36 PolarHBondContact O-N 3.38Å; L33-G36 PolarHBondContact O-N 3.42Å; G36-L38 PolarHBondContact O-N 2.96Å; G36-F39 PolarHBondContact O-N 3.23Å; G36-V40 WeakPolarHBondContact O-CG2 3.32Å; G36-V40 PolarHBondContact O-N 3.45Å
37S93.4Very high93.1Very high67 Ų6766.6 Ų66.647%0.46937%0.372SS..Hα-helixtrans-60.9-44.4175.2-66.60000111.7L33 L34 F39 V40 L41L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.46Å; L33-S37 PolarHBondContact O-OG 2.95Å; L34-S37 PolarHBondContact O-N 3.28Å; S37-F39 VanDerWaalsContact C-N 3.31Å; S37-F39 PolarHBondContact O-N 2.85Å; S37-V40 PolarHBondContact O-N 3.49Å; S37-L41 WeakPolarHBondContact O-CB 3.42Å; S37-L41 VanDerWaalsContact O-CG 3.26Å; S37-L41 WeakPolarHBondContact O-CG 3.38Å; S37-L41 PolarHBondContact O-N 3.42Å
38L91.3Very high92.9Very high79 Ų7972.7 Ų72.741%0.41440%0.397SS..Hα-helixtrans-63.8-37.4176-73.6169.2000112F14 L17 L34 T35 G36 L41 L42F14-L38 HydrophobicContact CE1-CB 4.15Å; L17-L38 HydrophobicContact CD2-CD1 3.76Å; L34-L38 WeakPolarHBondContact O-CB 3.25Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.03Å; L34-L38 PolarHBondContact O-N 3.09Å; T35-L38 PolarHBondContact O-N 2.9Å; G36-L38 PolarHBondContact O-N 2.96Å; L38-L41 PolarHBondContact O-N 3.2Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 PolarHBondContact O-N 3.46Å
39F90.2Very high92.6Very high85 Ų8571.8 Ų71.837%0.37339%0.391SS..Hα-helixtrans-65.8-45.2175.9-178.4-98.1000111.2L10 F14 T35 G36 S37 L42 R43L10-F39 HydrophobicContact CB-CE2 4.38Å; L10-F39 HydrophobicContact CD1-CE2 4.05Å; F14-F39 HydrophobicContact CD1-CB 3.88Å; F14-F39 HydrophobicContact CD1-CD2 4.17Å; F14-F39 HydrophobicContact CD2-CD2 4.24Å; F14-F39 HydrophobicContact CE1-CB 3.53Å; F14-F39 HydrophobicContact CE1-CD2 4.09Å; F14-F39 HydrophobicContact CE1-CG 4.33Å; F14-F39 VanDerWaalsContact CE1-N 3.34Å; F14-F39 HydrophobicContact CE2-CD2 4.12Å; F14-F39 HydrophobicContact CG-CD2 4.24Å; F14-F39 HydrophobicContact CZ-CB 4.1Å; F14-F39 HydrophobicContact CZ-CD2 4.04Å; T35-F39 WeakPolarHBondContact O-CB 3.34Å; T35-F39 PolarHBondContact O-N 3.39Å; G36-F39 PolarHBondContact O-N 3.23Å; S37-F39 VanDerWaalsContact C-N 3.31Å; S37-F39 PolarHBondContact O-N 2.85Å; F39-L42 PolarHBondContact O-N 2.98Å; F39-R43 HydrophobicContact CD1-CG 4.09Å; F39-R43 HydrophobicContact CE1-CG 3.68Å; F39-R43 HydrophobicContact CE2-CG 4.4Å; F39-R43 HydrophobicContact CZ-CG 3.85Å; F39-R43 WeakPolarHBondContact O-CG 3.47Å; F39-R43 PolarHBondContact O-N 2.64Å
40V91.4Very high92.5Very high86 Ų8667.6 Ų67.652%0.52137%0.366SS..Hα-helixtrans-61.7-44.9176.1171.70000110.7G36 S37 L42 R43 V44G36-V40 WeakPolarHBondContact O-CG2 3.32Å; G36-V40 PolarHBondContact O-N 3.45Å; S37-V40 PolarHBondContact O-N 3.49Å; V40-L42 PolarHBondContact O-N 3.24Å; V40-R43 PolarHBondContact O-N 3.37Å; V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.33Å; V40-V44 VanDerWaalsContact O-CG2 3.25Å; V40-V44 WeakPolarHBondContact O-CG2 3.15Å; V40-V44 PolarHBondContact O-N 3.1Å
41L91.9Very high92.4Very high88 Ų8867.3 Ų67.346%0.46137%0.368SS..Hα-helixtrans-58.6-48.9175.1-70.8169.1000110.8S37 L38 R43 V44 F45S37-L41 WeakPolarHBondContact O-CB 3.42Å; S37-L41 VanDerWaalsContact O-CG 3.26Å; S37-L41 WeakPolarHBondContact O-CG 3.38Å; S37-L41 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 3.2Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.47Å; L41-V44 PolarHBondContact O-N 3.14Å; L41-V44 VanDerWaalsContact O-N 3.16Å; L41-F45 HydrophobicContact CB-CD2 4.45Å; L41-F45 HydrophobicContact CD2-CE2 3.9Å; L41-F45 WeakPolarHBondContact O-CD2 3.07Å; L41-F45 PolarHBondContact O-N 2.86Å
42L90.1Very high92.2Very high19 Ų1970 Ų7010%0.09939%0.387CS..Hα-helixtrans-58.2-41.9177.4-179.161.1000111.7L10 F14 L38 F39 V40 S46 I264 Y267 L268L10-L42 HydrophobicContact CD1-CD2 3.55Å; L10-L42 HydrophobicContact CD1-CG 4.35Å; L10-L42 HydrophobicContact CD2-CD2 3.74Å; L10-L42 HydrophobicContact CG-CD2 4.27Å; F14-L42 HydrophobicContact CE2-CD2 3.56Å; F14-L42 HydrophobicContact CZ-CB 4.34Å; F14-L42 HydrophobicContact CZ-CD2 3.7Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 PolarHBondContact O-N 3.46Å; F39-L42 PolarHBondContact O-N 2.98Å; V40-L42 PolarHBondContact O-N 3.24Å; L42-S46 WeakPolarHBondContact O-CA 3.41Å; L42-S46 WeakPolarHBondContact O-CB 3.34Å; L42-S46 PolarHBondContact O-N 3.34Å; L42-S46 PolarHBondContact O-OG 2.68Å; L42-S46 VanDerWaalsContact O-OG 3.12Å; L42-I264 HydrophobicContact CD1-CG2 4.21Å; L42-Y267 HydrophobicContact CD1-CD1 4.15Å; L42-Y267 HydrophobicContact CD2-CD1 4.13Å; L42-Y267 HydrophobicContact CD2-CE1 4.42Å; L42-Y267 HydrophobicContact CG-CD1 3.98Å; L42-Y267 HydrophobicContact CG-CE1 4.02Å; L42-L268 HydrophobicContact CD1-CB 4.15Å; L42-L268 HydrophobicContact CD1-CD1 3.87Å
43R88.8Confident92Very high125 Ų12570.7 Ų70.747%0.47239%0.392SS..Hα-helixtrans-65.4-40.3176.4-71.5-63.9-62.5-168.3-4.6112.7F39 V40 L41 S46 Y267F39-R43 HydrophobicContact CD1-CG 4.09Å; F39-R43 HydrophobicContact CE1-CG 3.68Å; F39-R43 HydrophobicContact CE2-CG 4.4Å; F39-R43 HydrophobicContact CZ-CG 3.85Å; F39-R43 WeakPolarHBondContact O-CG 3.47Å; F39-R43 PolarHBondContact O-N 2.64Å; V40-R43 PolarHBondContact O-N 3.37Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.47Å; R43-S46 WeakPolarHBondContact CA-OG 3.13Å; R43-S46 PolarHBondContact O-OG 3.35Å; R43-Y267 WeakPolarHBondContact CD-OH 3.45Å; R43-Y267 PolarHBondContact NE-OH 3.5Å; R43-Y267 PolarHBondContact NH1-OH 2.81Å
44V92.4Very high91.9Very high103 Ų10368.9 Ų68.962%0.62438%0.378SS*.Hα-helixtrans-67.9-37.5179.8168.20000111.7V40 L41V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.33Å; V40-V44 VanDerWaalsContact O-CG2 3.25Å; V40-V44 WeakPolarHBondContact O-CG2 3.15Å; V40-V44 PolarHBondContact O-N 3.1Å; L41-V44 PolarHBondContact O-N 3.14Å; L41-V44 VanDerWaalsContact O-N 3.16Å
45F93.8Very high91.9Very high109 Ų10964.9 Ų64.948%0.47836%0.357SS..Hα-helixtrans-94-8-179.1-67.1-69.2000113.9L41 Y211 L268L41-F45 HydrophobicContact CB-CD2 4.45Å; L41-F45 HydrophobicContact CD2-CE2 3.9Å; L41-F45 WeakPolarHBondContact O-CD2 3.07Å; L41-F45 PolarHBondContact O-N 2.86Å; F45-Y211 VanDerWaalsContact O-CE2 3.32Å; F45-Y211 WeakPolarHBondContact O-CE2 3.47Å; F45-Y211 PolarHBondContact O-OH 3.15Å; F45-L268 HydrophobicContact CB-CD1 4.11Å
46S93.2Very high91.9Very high20 Ų2067.4 Ų67.414%0.1437%0.369CS..PPolyproline II helixtrans-78.2149.5176.361.20000113L42 R43 Y267 L268L42-S46 WeakPolarHBondContact O-CA 3.41Å; L42-S46 WeakPolarHBondContact O-CB 3.34Å; L42-S46 PolarHBondContact O-N 3.34Å; L42-S46 PolarHBondContact O-OG 2.68Å; L42-S46 VanDerWaalsContact O-OG 3.12Å; R43-S46 WeakPolarHBondContact CA-OG 3.13Å; R43-S46 PolarHBondContact O-OG 3.35Å; S46-Y267 VanDerWaalsContact OG-CE1 3.26Å; S46-Y267 WeakPolarHBondContact OG-CE1 3.15Å; S46-Y267 PolarHBondContact OG-OH 3.38Å; S46-L268 WeakPolarHBondContact CA-O 3.29Å
47F93.8Very high91.9Very high18 Ų1871.9 Ų71.98%0.07938%0.381CS..PPolyproline II helixtrans-100142.1169.5-60.5-73.5000111.3Y211 R214 Q215 R218 L268 G270F47-Y211 HydrophobicContact CD2-CD2 4.22Å; F47-Y211 HydrophobicContact CD2-CE2 4.15Å; F47-Y211 HydrophobicContact CE2-CD1 4.36Å; F47-Y211 AromaticContact CE2-CD2 3.66Å; F47-Y211 HydrophobicContact CE2-CD2 3.66Å; F47-Y211 HydrophobicContact CE2-CE1 4.21Å; F47-Y211 AromaticContact CE2-CE2 3.49Å; F47-Y211 HydrophobicContact CE2-CE2 3.49Å; F47-Y211 VanDerWaalsContact CE2-CE2 3.49Å; F47-Y211 HydrophobicContact CE2-CG 4.1Å; F47-Y211 AromaticContact CE2-CZ 3.79Å; F47-Y211 HydrophobicContact CZ-CE1 4.5Å; F47-Y211 HydrophobicContact CZ-CE2 4.34Å; F47-R214 HydrophobicContact CB-CB 4.4Å; F47-R214 HydrophobicContact CD1-CB 4.28Å; F47-R214 HydrophobicContact CD2-CB 3.55Å; F47-R214 HydrophobicContact CD2-CG 4.46Å; F47-R214 HydrophobicContact CE1-CB 4.5Å; F47-R214 HydrophobicContact CE2-CB 3.79Å; F47-R214 HydrophobicContact CG-CB 3.81Å; F47-R214 HydrophobicContact CZ-CB 4.27Å; F47-Q215 HydrophobicContact CZ-CB 3.94Å; F47-R218 HydrophobicContact CD1-CG 4.31Å; F47-L268 PolarHBondContact N-O 2.82Å; F47-L268 VanDerWaalsContact N-O 3.12Å; F47-G270 WeakPolarHBondContact O-CA 3.4Å
48E90.1Very high91.9Very high157 Ų15768.7 Ų68.773%0.73436%0.359SS*.PPolyproline II helixtrans-68.9137.6167.3-68.7-175.5168.100109.7R214E48-R214 PolarHBondContact O-NH2 2.89Å
49P89Confident92Very high65 Ų6565 Ų6542%0.42234%0.34SS..PPolyproline II helixtrans-60.7152.7171.9-2333.7000112.3G270P49-G270 WeakPolarHBondContact CA-O 3.37Å
50V93.8Very high92Very high6 Ų663.2 Ų63.24%0.03633%0.332CS..PPolyproline II helixtrans-62.7142.9170.5-179.80000109.1S52 R54 V55 R214 I221V50-S52 PolarHBondContact O-N 2.83Å; V50-R54 HydrophobicContact CG1-CB 4.32Å; V50-V55 HydrophobicContact CB-CG2 4.01Å; V50-V55 HydrophobicContact CG1-CG2 4.17Å; V50-R214 VanDerWaalsContact CG2-NH1 3.34Å; V50-I221 HydrophobicContact CB-CG1 4.33Å; V50-I221 HydrophobicContact CG1-CG1 4.03Å; V50-I221 HydrophobicContact CG2-CG1 4.32Å
51P92.9Very high91.6Very high75 Ų7560.8 Ų60.849%0.48732%0.318SS..PPolyproline II helixtrans-52.1130.5-179.2-29.736000113.2C53 R54 V55P51-C53 PolarHBondContact O-N 2.99Å; P51-C53 VanDerWaalsContact O-N 3.09Å; P51-R54 PolarHBondContact O-N 2.79Å; P51-V55 PolarHBondContact O-N 3Å
52S89.8Confident91.1Very high57 Ų5767.3 Ų67.340%0.39934%0.336SS..Hα-helixtrans-58.6-29.4-171.9-53.60000113.9V50 R54 V55 L56V50-S52 PolarHBondContact O-N 2.83Å; S52-R54 PolarHBondContact O-N 3.01Å; S52-V55 PolarHBondContact O-N 2.81Å; S52-L56 WeakPolarHBondContact O-CB 3.33Å; S52-L56 VanDerWaalsContact O-CG 3.28Å; S52-L56 WeakPolarHBondContact O-CG 3.38Å; S52-L56 PolarHBondContact O-N 3.47Å
53C90.9Very high90.7Very high87 Ų8773.8 Ų73.859%0.58837%0.371SS*.Hα-helixtrans-62.1-41.7175.458.10000112.4P51 Q57P51-C53 PolarHBondContact O-N 2.99Å; P51-C53 VanDerWaalsContact O-N 3.09Å; C53-Q57 VanDerWaalsContact O-CG 3.29Å; C53-Q57 WeakPolarHBondContact O-CG 3.32Å; C53-Q57 PolarHBondContact O-N 3.27Å; C53-Q57 VanDerWaalsContact O-N 3.15Å
54R94Very high90.6Very high68 Ų6876.2 Ų76.226%0.25738%0.38SS..Hα-helixtrans-69.4-42.6175.5-169.5-170.2-59.7174.5-0.2110.4V50 P51 S52 L56 Q57 V58 I221V50-R54 HydrophobicContact CG1-CB 4.32Å; P51-R54 PolarHBondContact O-N 2.79Å; S52-R54 PolarHBondContact O-N 3.01Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 2.63Å; R54-Q57 WeakPolarHBondContact O-CB 3.13Å; R54-Q57 PolarHBondContact O-N 2.69Å; R54-V58 WeakPolarHBondContact O-CG2 3.4Å; R54-V58 PolarHBondContact O-N 2.67Å; R54-I221 HydrophobicContact CG-CD1 4.41Å
55V93.8Very high90.5Very high1 Ų173.1 Ų73.11%0.00636%0.359CS..Hα-helixtrans-57.8-45.6177.9175.10000111.2V50 P51 S52 V58 L59 I221 Q295V50-V55 HydrophobicContact CB-CG2 4.01Å; V50-V55 HydrophobicContact CG1-CG2 4.17Å; P51-V55 PolarHBondContact O-N 3Å; S52-V55 PolarHBondContact O-N 2.81Å; V55-V58 PolarHBondContact O-N 3.07Å; V55-L59 HydrophobicContact CG1-CD1 3.57Å; V55-L59 HydrophobicContact CG1-CG 4.36Å; V55-L59 WeakPolarHBondContact O-CB 3.23Å; V55-L59 PolarHBondContact O-N 3.35Å; V55-I221 HydrophobicContact CG2-CG1 4.48Å; V55-Q295 HydrophobicContact CG1-CG 4.12Å
56L92.6Very high90.6Very high66 Ų6668 Ų6835%0.34634%0.338SS..Hα-helixtrans-65.4-39177.8-72.5170.8000112.3S52 R54 V58 K60 Q295S52-L56 WeakPolarHBondContact O-CB 3.33Å; S52-L56 VanDerWaalsContact O-CG 3.28Å; S52-L56 WeakPolarHBondContact O-CG 3.38Å; S52-L56 PolarHBondContact O-N 3.47Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 2.63Å; L56-V58 PolarHBondContact O-N 3.03Å; L56-K60 HydrophobicContact CD2-CD 4.45Å; L56-K60 CarbonylContact O-C 3.58Å; L56-K60 VanDerWaalsContact O-C 3.3Å; L56-K60 WeakPolarHBondContact O-CA 3.43Å; L56-K60 PolarHBondContact O-N 3.11Å; L56-Q295 HydrophobicContact CD2-CG 4.31Å
57Q92.4Very high90.7Very high128 Ų12867.6 Ų67.660%0.59834%0.335SS*.Hα-helixtrans-59.5-35.8175.6-75.3170.2-4.600112.8C53 R54 P61C53-Q57 VanDerWaalsContact O-CG 3.29Å; C53-Q57 WeakPolarHBondContact O-CG 3.32Å; C53-Q57 PolarHBondContact O-N 3.27Å; C53-Q57 VanDerWaalsContact O-N 3.15Å; R54-Q57 WeakPolarHBondContact O-CB 3.13Å; R54-Q57 PolarHBondContact O-N 2.69Å; Q57-P61 WeakPolarHBondContact O-CA 3.49Å
58V94.1Very high91Very high1 Ų166.8 Ų66.81%0.00633%0.331CS..Hα-helixtrans-82.2-45.8179.2-179.80000112.1R54 V55 L56 T170 N198 V201 I221R54-V58 WeakPolarHBondContact O-CG2 3.4Å; R54-V58 PolarHBondContact O-N 2.67Å; V55-V58 PolarHBondContact O-N 3.07Å; L56-V58 PolarHBondContact O-N 3.03Å; V58-T170 HydrophobicContact CG1-CG2 3.61Å; V58-N198 VanDerWaalsContact CG2-C 3.46Å; V58-N198 WeakPolarHBondContact CG2-O 3.3Å; V58-V201 HydrophobicContact CG1-CG2 3.92Å; V58-I221 HydrophobicContact CB-CD1 3.82Å; V58-I221 HydrophobicContact CG1-CD1 4.22Å; V58-I221 HydrophobicContact CG2-CD1 3.5Å
59L92.8Very high91.3Very high2 Ų259.3 Ų59.31%0.0130%0.296CS..Hα-helixtrans-84.1-21.1-173.2-68.4176.6000114.2V55 S66 F172 V201 A273 Q295 V297 S317V55-L59 HydrophobicContact CG1-CD1 3.57Å; V55-L59 HydrophobicContact CG1-CG 4.36Å; V55-L59 WeakPolarHBondContact O-CB 3.23Å; V55-L59 PolarHBondContact O-N 3.35Å; L59-S66 WeakPolarHBondContact O-CB 3.32Å; L59-S66 PolarHBondContact O-OG 2.72Å; L59-F172 HydrophobicContact CD2-CE1 3.73Å; L59-F172 HydrophobicContact CD2-CZ 3.53Å; L59-V201 HydrophobicContact CD2-CG2 3.74Å; L59-A273 HydrophobicContact CD1-CB 3.69Å; L59-Q295 HydrophobicContact CD1-CB 3.57Å; L59-Q295 HydrophobicContact CD1-CG 3.67Å; L59-V297 HydrophobicContact CD2-CG2 4.47Å; L59-S317 PolarHBondContact O-OG 2.71Å
60K90Very high91.8Very high46 Ų4657.1 Ų57.120%0.228%0.281CS..SBendtrans-137.865.2179-65.7-172173.9-168.60110L56 R62 D63 R64 G315L56-K60 HydrophobicContact CD2-CD 4.45Å; L56-K60 CarbonylContact O-C 3.58Å; L56-K60 VanDerWaalsContact O-C 3.3Å; L56-K60 WeakPolarHBondContact O-CA 3.43Å; L56-K60 PolarHBondContact O-N 3.11Å; K60-R62 PolarHBondContact O-N 2.74Å; K60-D63 PolarHBondContact O-N 3.46Å; K60-R64 CarbonylContact C-O 3.59Å; K60-R64 VanDerWaalsContact CA-O 3.22Å; K60-R64 WeakPolarHBondContact CA-O 3.32Å; K60-R64 WeakPolarHBondContact CB-O 3.31Å; K60-G315 PolarHBondContact NZ-O 3.32Å
61P84.3Confident92Very high35 Ų3557.3 Ų57.323%0.22728%0.281CS..G310 helixtrans-60131.1-176.726.6-31.6000110.1Q57 D63 R64 S66Q57-P61 WeakPolarHBondContact O-CA 3.49Å; P61-D63 VanDerWaalsContact C-N 3.25Å; P61-D63 PolarHBondContact O-N 3.33Å; P61-R64 PolarHBondContact O-N 2.91Å; P61-S66 WeakPolarHBondContact CD-OG 3.47Å
62R81.2Confident92.2Very high225 Ų22553.8 Ų53.885%0.84926%0.258SS*.G310 helixtrans5932.5-176.5-50.7176.2-177159.52.2113.9K60 R64K60-R62 PolarHBondContact O-N 2.74Å; R62-R64 PolarHBondContact O-N 3.16Å; R62-R64 VanDerWaalsContact O-N 3.16Å
63D80.9Confident92.4Very high155 Ų15551 Ų5183%0.82924%0.239SC*.G310 helixtrans57.925-178.2-58.7-49000113.7K60 P61K60-D63 PolarHBondContact O-N 3.46Å; P61-D63 VanDerWaalsContact C-N 3.25Å; P61-D63 PolarHBondContact O-N 3.33Å
64R86.4Confident92.6Very high177 Ų17747.2 Ų47.267%0.66821%0.213SC*.PPolyproline II helixtrans-101.6152.7175.7-65.5-174.1-179.1-168.3-2.3111.1K60 P61 R62K60-R64 CarbonylContact C-O 3.59Å; K60-R64 VanDerWaalsContact CA-O 3.22Å; K60-R64 WeakPolarHBondContact CA-O 3.32Å; K60-R64 WeakPolarHBondContact CB-O 3.31Å; P61-R64 PolarHBondContact O-N 2.91Å; R62-R64 PolarHBondContact O-N 3.16Å; R62-R64 VanDerWaalsContact O-N 3.16Å
65I91.9Very high92.7Very high37 Ų3745.2 Ų45.219%0.1921%0.206CC..PPolyproline II helixtrans-65.7132.9169.8-58.6-46.8000108.6E311 G315 S316 Y318I65-E311 HydrophobicContact CG2-CG 4.23Å; I65-G315 WeakPolarHBondContact CD1-O 3.32Å; I65-S316 WeakPolarHBondContact CG2-O 3.46Å; I65-Y318 HydrophobicContact CG2-CD1 4.32Å; I65-Y318 HydrophobicContact CG2-CE1 4.37Å
66S94.2Very high92.9Very high3 Ų345.5 Ų45.52%0.02121%0.208CC..PPolyproline II helixtrans-87.7123.7179-61.90000110.2L59 P61 T94 S317 Y318L59-S66 WeakPolarHBondContact O-CB 3.32Å; L59-S66 PolarHBondContact O-OG 2.72Å; P61-S66 WeakPolarHBondContact CD-OG 3.47Å; S66-T94 WeakPolarHBondContact CA-OG1 3.42Å; S66-T94 WeakPolarHBondContact CB-OG1 3.48Å; S66-S317 WeakPolarHBondContact CB-OG 3.48Å; S66-S317 PolarHBondContact N-OG 2.82Å; S66-S317 VanDerWaalsContact N-OG 3.11Å; S66-S317 WeakPolarHBondContact O-CA 3.42Å; S66-S317 WeakPolarHBondContact O-CB 3.42Å; S66-Y318 PolarHBondContact O-N 3.4Å
67A97Very high93.1Very high10 Ų1042.3 Ų42.38%0.08319%0.191CC..EExtended strand (participates in β ladder)trans-95.9112.5164.500000107.8T94 Y318 M323A67-T94 PolarHBondContact N-OG1 2.93Å; A67-T94 PolarHBondContact O-N 3.29Å; A67-T94 PolarHBondContact O-OG1 3.01Å; A67-T94 VanDerWaalsContact O-OG1 3.05Å; A67-Y318 HydrophobicContact CB-CE1 4.27Å; A67-Y318 HydrophobicContact CB-CE2 3.98Å; A67-M323 HydrophobicContact CB-CE 3.71Å; A67-M323 HydrophobicContact CB-SD 4.36Å
68I98.2Very high93.3Very high1 Ų136.3 Ų36.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-107.6123.1-171.7-60.3147.6000108.3H70 G95 E97 F172 V297 Y318 I319 T320I68-H70 PolarHBondContact O-N 2.93Å; I68-G95 CarbonylContact C-O 3.35Å; I68-G95 WeakPolarHBondContact CA-O 3.42Å; I68-E97 HydrophobicContact CG2-CB 4.06Å; I68-F172 HydrophobicContact CD1-CD2 4.21Å; I68-F172 HydrophobicContact CD1-CE1 4.01Å; I68-F172 HydrophobicContact CD1-CE2 3.51Å; I68-F172 HydrophobicContact CD1-CZ 3.38Å; I68-F172 HydrophobicContact CG1-CD2 4.25Å; I68-F172 HydrophobicContact CG1-CE2 3.72Å; I68-F172 HydrophobicContact CG1-CZ 4.13Å; I68-F172 HydrophobicContact CG2-CD2 3.87Å; I68-F172 HydrophobicContact CG2-CE2 4.22Å; I68-F172 HydrophobicContact CG2-CG 4.39Å; I68-V297 HydrophobicContact CD1-CG1 3.76Å; I68-Y318 WeakPolarHBondContact CB-O 3.16Å; I68-Y318 PolarHBondContact N-O 3.01Å; I68-I319 HydrophobicContact CB-CG1 3.9Å; I68-I319 HydrophobicContact CD1-CG1 4.1Å; I68-I319 HydrophobicContact CG2-CG1 3.94Å; I68-I319 CarbonylContact O-C 3.59Å; I68-I319 VanDerWaalsContact O-CA 3.26Å; I68-I319 WeakPolarHBondContact O-CA 3.45Å; I68-T320 PolarHBondContact O-N 2.96Å
69A98.3Very high93.5Very high0 Ų037.5 Ų37.50%017%0.169CC..EExtended strand (participates in β ladder)trans-79.5114.4-179.300000110.1R71 G72 A88 A93 G95 V96 E97 M323A69-R71 PolarHBondContact O-N 2.9Å; A69-G72 PolarHBondContact O-N 3.13Å; A69-G72 VanDerWaalsContact O-N 3.13Å; A69-A88 HydrophobicContact CB-CB 3.59Å; A69-A93 HydrophobicContact CB-CB 4.09Å; A69-G95 PolarHBondContact N-O 3.32Å; A69-V96 HydrophobicContact CB-CG1 4.25Å; A69-V96 WeakPolarHBondContact O-CA 3.47Å; A69-E97 PolarHBondContact O-N 3.35Å; A69-M323 HydrophobicContact CB-CG 4.4Å; A69-M323 HydrophobicContact CB-SD 4.39Å
70H98.1Very high93.8Very high20 Ų2037.7 Ų37.79%0.09317%0.17CC..G310 helixtrans-63.9120.9-179.1-171.7-144.7000109.9I68 G72 G73 S74 E97 T300 I319 T320 D321I68-H70 PolarHBondContact O-N 2.93Å; H70-G72 PolarHBondContact O-N 3.06Å; H70-G72 VanDerWaalsContact O-N 3.15Å; H70-G73 WeakPolarHBondContact O-CA 3.44Å; H70-G73 PolarHBondContact O-N 3.28Å; H70-S74 PolarHBondContact O-N 2.86Å; H70-E97 IonicContact CD2-OE2 2.81Å; H70-E97 PolarHBondContact CD2-OE2 3.03Å; H70-E97 IonicContact NE2-OE2 3.63Å; H70-T300 HydrophobicContact CB-CG2 4.26Å; H70-I319 HydrophobicContact CB-CG2 3.47Å; H70-I319 VanDerWaalsContact CB-CG2 3.47Å; H70-T320 VanDerWaalsContact CB-O 3.3Å; H70-T320 WeakPolarHBondContact CB-O 3.44Å; H70-T320 PolarHBondContact N-O 3.01Å; H70-D321 IonicContact CE1-OD1 2.86Å; H70-D321 IonicContact CG-OD1 3.04Å; H70-D321 IonicContact ND1-OD1 3.57Å; H70-D321 PolarHBondContact ND1-OD1 2.97Å
71R97.9Very high94.2Very high10 Ų1035.5 Ų35.54%0.03816%0.16CC..G310 helixtrans53.430.2-173.4-43.8-175.1-171.9160.88.6113.8A69 E79 N80 E97 D99 H112A69-R71 PolarHBondContact O-N 2.9Å; R71-E79 HydrophobicContact CB-CB 3.71Å; R71-E79 WeakPolarHBondContact CD-OE1 3.49Å; R71-E79 IonicContact CZ-OE1 2.68Å; R71-E79 IonicContact NE-OE1 2.67Å; R71-E79 IonicContact NH1-OE1 3.61Å; R71-E79 PolarHBondContact NH1-OE1 3.11Å; R71-E79 IonicContact NH1-OE2 3.41Å; R71-E79 PolarHBondContact NH1-OE2 2.89Å; R71-N80 PolarHBondContact O-N 3.07Å; R71-E97 CarbonylContact C-O 3.46Å; R71-E97 WeakPolarHBondContact CA-O 3.44Å; R71-E97 PolarHBondContact N-O 3.33Å; R71-E97 PolarHBondContact N-OE2 3.45Å; R71-D99 VanDerWaalsContact CD-OD2 3.24Å; R71-D99 WeakPolarHBondContact CD-OD2 3.3Å; R71-D99 VanDerWaalsContact CG-OD2 3.29Å; R71-D99 WeakPolarHBondContact CG-OD2 3.28Å; R71-D99 IonicContact NE-OD2 3.72Å; R71-D99 PolarHBondContact NE-OD2 3.05Å; R71-H112 PolarHBondContact NE-CD2 2.99Å; R71-H112 PolarHBondContact NH2-CD2 3.05Å; R71-H112 PolarHBondContact NH2-CE1 2.96Å; R71-H112 PolarHBondContact NH2-NE2 3.31Å
72G96.8Very high94.8Very high0 Ų035.1 Ų35.10%016%0.156CC..G310 helixtrans81.513.4-172.500000115.3A69 H70 A84 E97A69-G72 PolarHBondContact O-N 3.13Å; A69-G72 VanDerWaalsContact O-N 3.13Å; H70-G72 PolarHBondContact O-N 3.06Å; H70-G72 VanDerWaalsContact O-N 3.15Å; G72-A84 CarbonylContact O-C 3.58Å; G72-A84 WeakPolarHBondContact O-CB 3.29Å; G72-E97 PolarHBondContact N-O 3.24Å
73G95.6Very high95.6Very high0 Ų024.9 Ų24.90%012%0.119CC..THydrogen-bonded Turntrans9164.4-176.200000110.5H70 H75 D76 A77 D321H70-G73 WeakPolarHBondContact O-CA 3.44Å; H70-G73 PolarHBondContact O-N 3.28Å; G73-H75 PolarHBondContact O-N 3.18Å; G73-D76 WeakPolarHBondContact O-CA 3.16Å; G73-D76 PolarHBondContact O-N 3.24Å; G73-A77 PolarHBondContact O-N 2.8Å; G73-D321 CarbonylContact C-O 3.59Å; G73-D321 WeakPolarHBondContact CA-O 3.43Å
74S94.8Very high96.5Very high7 Ų717.5 Ų17.55%0.0498%0.08CC..THydrogen-bonded Turntrans-51.5-25.9-173.769.20000114.9H70 A77 H143 D321H70-S74 PolarHBondContact O-N 2.86Å; S74-A77 CarbonylContact C-O 3.56Å; S74-H143 PolarHBondContact O-NE2 2.87Å; S74-H143 VanDerWaalsContact O-NE2 3.11Å; S74-D321 PolarHBondContact N-O 2.65Å; S74-D321 WeakPolarHBondContact OG-CB 3.31Å; S74-D321 VanDerWaalsContact OG-CG 3.29Å; S74-D321 PolarHBondContact OG-OD1 3.4Å
75H96Very high97.1Very high25 Ų259 Ų912%0.1165%0.048CC..THydrogen-bonded Turntrans-87.8-30.7176.1-171.973000111.9G73 R144 D321 E325 C327G73-H75 PolarHBondContact O-N 3.18Å; H75-R144 PolarHBondContact CD2-NH2 2.92Å; H75-R144 PolarHBondContact NE2-NH2 3.11Å; H75-R144 PolarHBondContact O-NE 3.47Å; H75-R144 PolarHBondContact O-NH2 3.33Å; H75-D321 HydrophobicContact CB-CB 4.23Å; H75-D321 WeakPolarHBondContact CB-O 3.49Å; H75-D321 PolarHBondContact N-O 3.25Å; H75-E325 IonicContact CD2-OE1 3.34Å; H75-E325 PolarHBondContact CD2-OE1 3.17Å; H75-E325 IonicContact CE1-OE1 3.95Å; H75-E325 IonicContact NE2-OE1 3.78Å; H75-E325 PolarHBondContact NE2-OE1 2.92Å; H75-C327 HydrophobicContact CB-CB 4.37Å
76D96.7Very high97.4Very high7 Ų712.6 Ų12.64%0.0376%0.059CC..THydrogen-bonded Turntrans-85-23.1-175.8-63.8-12.2000112.8G73 Q87 N91 L145 S322 M323 V324G73-D76 WeakPolarHBondContact O-CA 3.16Å; G73-D76 PolarHBondContact O-N 3.24Å; D76-Q87 HydrophobicContact CB-CG 4.18Å; D76-N91 PolarHBondContact OD2-ND2 3.06Å; D76-L145 WeakPolarHBondContact O-CD1 3.31Å; D76-S322 WeakPolarHBondContact OD1-CA 3.27Å; D76-S322 VanDerWaalsContact OD1-CB 3.32Å; D76-S322 WeakPolarHBondContact OD1-CB 3.32Å; D76-S322 PolarHBondContact OD1-OG 3.41Å; D76-M323 PolarHBondContact OD2-N 3Å; D76-V324 WeakPolarHBondContact OD1-CG2 3.4Å
77A97.4Very high97.6Very high0 Ų014.5 Ų14.50%07%0.068CC..SBendtrans-160.8160179.500000110.4G73 S74 E79 A84 Q87 F149G73-A77 PolarHBondContact O-N 2.8Å; S74-A77 CarbonylContact C-O 3.56Å; A77-E79 PolarHBondContact O-N 2.88Å; A77-E79 VanDerWaalsContact O-N 3.11Å; A77-A84 HydrophobicContact CB-CB 3.88Å; A77-Q87 HydrophobicContact CB-CB 3.97Å; A77-Q87 HydrophobicContact CB-CG 4.2Å; A77-F149 HydrophobicContact CB-CE1 4.18Å; A77-F149 HydrophobicContact CB-CE2 4.23Å; A77-F149 HydrophobicContact CB-CZ 3.72Å
78P97.5Very high97.6Very high1 Ų114 Ų141%0.0066%0.064CC..  trans-52.4119177.8-25.433000112T81 A84 A140 H143 F149P78-T81 HydrophobicContact CB-CG2 4.06Å; P78-T81 WeakPolarHBondContact O-CB 3.38Å; P78-T81 VanDerWaalsContact O-CG2 3.32Å; P78-T81 WeakPolarHBondContact O-CG2 3.14Å; P78-T81 PolarHBondContact O-OG1 3.31Å; P78-A84 VanDerWaalsContact O-CB 3.32Å; P78-A84 WeakPolarHBondContact O-CB 3.21Å; P78-A140 HydrophobicContact CB-CB 4.06Å; P78-A140 HydrophobicContact CG-CB 3.5Å; P78-H143 HydrophobicContact CB-CB 4.31Å; P78-H143 HydrophobicContact CG-CB 4.05Å; P78-F149 HydrophobicContact CG-CB 4.07Å; P78-F149 HydrophobicContact CG-CD2 3.74Å; P78-F149 HydrophobicContact CG-CE2 4.4Å; P78-F149 HydrophobicContact CG-CG 3.94Å
79E97.6Very high97.6Very high27 Ų2715.2 Ų15.213%0.1267%0.074CC..THydrogen-bonded Turntrans-53.5147.7-173.466.7-179.4-107.300113.6R71 A77 T81 R118 T119R71-E79 HydrophobicContact CB-CB 3.71Å; R71-E79 WeakPolarHBondContact CD-OE1 3.49Å; R71-E79 IonicContact CZ-OE1 2.68Å; R71-E79 IonicContact NE-OE1 2.67Å; R71-E79 IonicContact NH1-OE1 3.61Å; R71-E79 PolarHBondContact NH1-OE1 3.11Å; R71-E79 IonicContact NH1-OE2 3.41Å; R71-E79 PolarHBondContact NH1-OE2 2.89Å; A77-E79 PolarHBondContact O-N 2.88Å; A77-E79 VanDerWaalsContact O-N 3.11Å; E79-T81 VanDerWaalsContact C-N 3.27Å; E79-T81 PolarHBondContact O-N 3.34Å; E79-R118 IonicContact OE1-CZ 3.57Å; E79-R118 IonicContact OE1-NH1 3.33Å; E79-R118 PolarHBondContact OE1-NH1 2.86Å; E79-R118 IonicContact OE1-NH2 2.72Å; E79-R118 PolarHBondContact OE1-NH2 2.99Å; E79-R118 IonicContact OE2-CZ 3.46Å; E79-R118 IonicContact OE2-NH1 2.72Å; E79-R118 PolarHBondContact OE2-NH1 3.2Å; E79-R118 IonicContact OE2-NH2 2.79Å; E79-T119 HydrophobicContact CG-CG2 3.89Å
80N98.2Very high97.6Very high5 Ų523 Ų233%0.02711%0.108CC..THydrogen-bonded Turntrans58.832.9174.8-77.6-58.2000114.3R71 D99 L110 P155R71-N80 PolarHBondContact O-N 3.07Å; N80-D99 PolarHBondContact ND2-OD2 2.91Å; N80-D99 PolarHBondContact OD1-N 2.83Å; N80-L110 HydrophobicContact CB-CB 3.73Å; N80-L110 WeakPolarHBondContact O-CB 3.36Å; N80-P155 WeakPolarHBondContact O-CD 3.13Å; N80-P155 VanDerWaalsContact O-CG 3.29Å; N80-P155 WeakPolarHBondContact O-CG 3.34Å
81T98.6Very high97.6Very high1 Ų124 Ų241%0.00611%0.114CC..SBendtrans-117.1165.3178.166.60000113P78 E79 A83 A84 I85 P139 E152P78-T81 HydrophobicContact CB-CG2 4.06Å; P78-T81 WeakPolarHBondContact O-CB 3.38Å; P78-T81 VanDerWaalsContact O-CG2 3.32Å; P78-T81 WeakPolarHBondContact O-CG2 3.14Å; P78-T81 PolarHBondContact O-OG1 3.31Å; E79-T81 VanDerWaalsContact C-N 3.27Å; E79-T81 PolarHBondContact O-N 3.34Å; T81-A83 VanDerWaalsContact C-N 3.3Å; T81-A84 PolarHBondContact O-N 3.41Å; T81-A84 WeakPolarHBondContact OG1-CB 3.18Å; T81-A84 PolarHBondContact OG1-N 2.81Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 3.03Å; T81-P139 HydrophobicContact CG2-CB 3.75Å; T81-P139 HydrophobicContact CG2-CG 3.62Å; T81-E152 WeakPolarHBondContact CB-OE1 3.38Å; T81-E152 HydrophobicContact CG2-CG 3.58Å
82L98.6Very high97.5Very high27 Ų2726 Ų2614%0.14114%0.138CC..Hα-helixtrans-69.3-34.4173.8-58.6-173.8000110.7A84 I85 R86 E152 P155 E159 A160 E163L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 2.82Å; L82-I85 HydrophobicContact CD2-CD1 4.15Å; L82-I85 PolarHBondContact O-N 3.13Å; L82-R86 WeakPolarHBondContact O-CG 3.45Å; L82-R86 PolarHBondContact O-N 3.1Å; L82-E152 PolarHBondContact N-OE1 3.22Å; L82-P155 HydrophobicContact CD2-CB 3.71Å; L82-P155 HydrophobicContact CD2-CG 4.26Å; L82-P155 HydrophobicContact CG-CB 3.94Å; L82-E159 HydrophobicContact CD1-CB 4.42Å; L82-E159 HydrophobicContact CD2-CB 4.32Å; L82-A160 HydrophobicContact CD2-CB 4.4Å; L82-E163 HydrophobicContact CD2-CB 4Å; L82-E163 HydrophobicContact CD2-CG 4.35Å
83A98.2Very high97.6Very high9 Ų926.5 Ų26.57%0.07414%0.142CC..Hα-helixtrans-57-44171.300000112.4T81 R86 Q87 F149 E152T81-A83 VanDerWaalsContact C-N 3.3Å; A83-R86 PolarHBondContact O-N 2.81Å; A83-Q87 WeakPolarHBondContact O-CB 3.32Å; A83-Q87 PolarHBondContact O-N 2.93Å; A83-F149 HydrophobicContact CB-CD1 3.54Å; A83-F149 HydrophobicContact CB-CE1 3.79Å; A83-E152 HydrophobicContact CB-CG 4.21Å; A83-E152 VanDerWaalsContact CB-OE2 3.31Å; A83-E152 WeakPolarHBondContact CB-OE2 3.5Å; A83-E152 PolarHBondContact N-OE1 3.02Å
84A98.4Very high97.6Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-62.2-44.7176.100000112.4G72 A77 P78 T81 L82 R86 Q87 A88G72-A84 CarbonylContact O-C 3.58Å; G72-A84 WeakPolarHBondContact O-CB 3.29Å; A77-A84 HydrophobicContact CB-CB 3.88Å; P78-A84 VanDerWaalsContact O-CB 3.32Å; P78-A84 WeakPolarHBondContact O-CB 3.21Å; T81-A84 PolarHBondContact O-N 3.41Å; T81-A84 WeakPolarHBondContact OG1-CB 3.18Å; T81-A84 PolarHBondContact OG1-N 2.81Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 2.82Å; A84-R86 VanDerWaalsContact C-N 3.32Å; A84-R86 PolarHBondContact O-N 3.1Å; A84-Q87 PolarHBondContact O-N 3.33Å; A84-Q87 VanDerWaalsContact O-N 3.14Å; A84-A88 WeakPolarHBondContact O-CB 3.24Å; A84-A88 PolarHBondContact O-N 3.36Å
85I98.8Very high97.7Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-56.9-45.9175.3-64.5165.4000111.4T81 L82 A88 A89 L98 A160 E163 L169T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 3.03Å; L82-I85 HydrophobicContact CD2-CD1 4.15Å; L82-I85 PolarHBondContact O-N 3.13Å; I85-A88 PolarHBondContact O-N 2.87Å; I85-A89 PolarHBondContact O-N 3.15Å; I85-A89 VanDerWaalsContact O-N 3.1Å; I85-L98 HydrophobicContact CD1-CD1 4.11Å; I85-L98 HydrophobicContact CD1-CD2 4.23Å; I85-L98 HydrophobicContact CG1-CD2 4.06Å; I85-A160 HydrophobicContact CD1-CB 3.91Å; I85-E163 HydrophobicContact CB-CG 4.16Å; I85-E163 HydrophobicContact CD1-CB 4.45Å; I85-E163 HydrophobicContact CG2-CB 4.25Å; I85-E163 HydrophobicContact CG2-CG 3.75Å; I85-L169 HydrophobicContact CG2-CD1 3.77Å
86R98.5Very high97.9Very high111 Ų11126.9 Ų26.942%0.41915%0.146SC..Hα-helixtrans-64.1-41.4177.3-69.6172.6-171.2144.410.3112.1L82 A83 A84 A89 K90 E163L82-R86 WeakPolarHBondContact O-CG 3.45Å; L82-R86 PolarHBondContact O-N 3.1Å; A83-R86 PolarHBondContact O-N 2.81Å; A84-R86 VanDerWaalsContact C-N 3.32Å; A84-R86 PolarHBondContact O-N 3.1Å; R86-A89 PolarHBondContact O-N 3.15Å; R86-K90 WeakPolarHBondContact O-CB 3.47Å; R86-K90 PolarHBondContact O-N 3.19Å; R86-E163 HydrophobicContact CG-CG 4.32Å; R86-E163 WeakPolarHBondContact CG-OE1 3.15Å; R86-E163 IonicContact CZ-OE1 2.7Å; R86-E163 IonicContact CZ-OE2 3.52Å; R86-E163 VanDerWaalsContact NE-CD 3.29Å; R86-E163 IonicContact NE-OE1 2.67Å; R86-E163 PolarHBondContact NE-OE1 3.21Å; R86-E163 IonicContact NE-OE2 2.75Å; R86-E163 PolarHBondContact NE-OE2 3.07Å; R86-E163 IonicContact NH2-OE1 3.36Å; R86-E163 IonicContact NH2-OE2 3.44Å; R86-E163 PolarHBondContact NH2-OE2 2.87Å
87Q98.1Very high98Very high43 Ų4326.8 Ų26.820%0.20115%0.145CC..Hα-helixtrans-67.7-40.9179.9-170.860.346.900111.2D76 A77 A83 A84 A89 K90 N91D76-Q87 HydrophobicContact CB-CG 4.18Å; A77-Q87 HydrophobicContact CB-CB 3.97Å; A77-Q87 HydrophobicContact CB-CG 4.2Å; A83-Q87 WeakPolarHBondContact O-CB 3.32Å; A83-Q87 PolarHBondContact O-N 2.93Å; A84-Q87 PolarHBondContact O-N 3.33Å; A84-Q87 VanDerWaalsContact O-N 3.14Å; Q87-A89 PolarHBondContact O-N 3.13Å; Q87-K90 PolarHBondContact O-N 2.85Å; Q87-N91 PolarHBondContact NE2-ND2 3.38Å; Q87-N91 PolarHBondContact NE2-OD1 3.05Å; Q87-N91 WeakPolarHBondContact O-CB 3.36Å; Q87-N91 VanDerWaalsContact O-CG 3.23Å; Q87-N91 PolarHBondContact O-N 3.31Å
88A98.4Very high98Very high1 Ų126.8 Ų26.81%0.00815%0.145CC..Hα-helixtrans-58.1-47.417300000111.8A69 A84 I85 K90 N91 G92 A93 V96A69-A88 HydrophobicContact CB-CB 3.59Å; A84-A88 WeakPolarHBondContact O-CB 3.24Å; A84-A88 PolarHBondContact O-N 3.36Å; I85-A88 PolarHBondContact O-N 2.87Å; A88-K90 PolarHBondContact O-N 3Å; A88-N91 CarbonylContact O-C 3.52Å; A88-N91 PolarHBondContact O-N 2.95Å; A88-G92 PolarHBondContact O-N 3.44Å; A88-A93 HydrophobicContact CB-CB 3.98Å; A88-A93 VanDerWaalsContact O-CB 3.25Å; A88-A93 WeakPolarHBondContact O-CB 3.26Å; A88-A93 PolarHBondContact O-N 2.8Å; A88-V96 HydrophobicContact CB-CG1 3.63Å
89A98.3Very high98Very high26 Ų2626.8 Ų26.822%0.21515%0.145CC..Hα-helixtrans-59-46.2175.100000111.8I85 R86 Q87 N91 G92 H167 L169I85-A89 PolarHBondContact O-N 3.15Å; I85-A89 VanDerWaalsContact O-N 3.1Å; R86-A89 PolarHBondContact O-N 3.15Å; Q87-A89 PolarHBondContact O-N 3.13Å; A89-N91 VanDerWaalsContact C-N 3.28Å; A89-N91 PolarHBondContact O-N 3.06Å; A89-G92 PolarHBondContact O-N 3.34Å; A89-G92 VanDerWaalsContact O-N 3.09Å; A89-H167 HydrophobicContact CB-CB 3.66Å; A89-L169 HydrophobicContact CB-CD1 3.99Å; A89-L169 HydrophobicContact CB-CD2 4.41Å; A89-L169 HydrophobicContact CB-CG 4.35Å
90K98.1Very high98Very high164 Ų16425.6 Ų25.671%0.71314%0.14SC*.Hα-helixtrans-61.6-36.6177.6-176.5-179.5174.4-172.70112.3R86 Q87 A88 G92R86-K90 WeakPolarHBondContact O-CB 3.47Å; R86-K90 PolarHBondContact O-N 3.19Å; Q87-K90 PolarHBondContact O-N 2.85Å; A88-K90 PolarHBondContact O-N 3Å; K90-G92 PolarHBondContact O-N 3.23Å
91N97.6Very high98Very high39 Ų3925.8 Ų25.821%0.20914%0.141CC..THydrogen-bonded Turntrans-80.92.6178.3-67.4-7.5000113.1D76 Q87 A88 A89 M323 V324D76-N91 PolarHBondContact OD2-ND2 3.06Å; Q87-N91 PolarHBondContact NE2-ND2 3.38Å; Q87-N91 PolarHBondContact NE2-OD1 3.05Å; Q87-N91 WeakPolarHBondContact O-CB 3.36Å; Q87-N91 VanDerWaalsContact O-CG 3.23Å; Q87-N91 PolarHBondContact O-N 3.31Å; A88-N91 CarbonylContact O-C 3.52Å; A88-N91 PolarHBondContact O-N 2.95Å; A89-N91 VanDerWaalsContact C-N 3.28Å; A89-N91 PolarHBondContact O-N 3.06Å; N91-M323 HydrophobicContact CB-CB 3.57Å; N91-M323 HydrophobicContact CB-CG 4.05Å; N91-V324 HydrophobicContact CB-CG1 4.03Å
92G96.3Very high97.9Very high54 Ų5426.3 Ų26.356%0.55714%0.143SC*.THydrogen-bonded Turntrans83.318.2174.600000114.7A88 A89 K90A88-G92 PolarHBondContact O-N 3.44Å; A89-G92 PolarHBondContact O-N 3.34Å; A89-G92 VanDerWaalsContact O-N 3.09Å; K90-G92 PolarHBondContact O-N 3.23Å
93A97.2Very high97.9Very high10 Ų1025.1 Ų25.18%0.08314%0.137CC..  trans-59.9141.1171.400000110.3A69 A88 L169 M323A69-A93 HydrophobicContact CB-CB 4.09Å; A88-A93 HydrophobicContact CB-CB 3.98Å; A88-A93 VanDerWaalsContact O-CB 3.25Å; A88-A93 WeakPolarHBondContact O-CB 3.26Å; A88-A93 PolarHBondContact O-N 2.8Å; A93-L169 HydrophobicContact CB-CD2 4.46Å; A93-L169 WeakPolarHBondContact O-CD2 3.46Å; A93-M323 HydrophobicContact CB-CE 3.93Å; A93-M323 HydrophobicContact CB-CG 4.32Å; A93-M323 HydrophobicContact CB-SD 3.98Å
94T96.6Very high97.9Very high40 Ų4027.5 Ų27.525%0.24515%0.152CC..SBendtrans-85.9-18.9174.451.60000112S66 A67 T170S66-T94 WeakPolarHBondContact CA-OG1 3.42Å; S66-T94 WeakPolarHBondContact CB-OG1 3.48Å; A67-T94 PolarHBondContact N-OG1 2.93Å; A67-T94 PolarHBondContact O-N 3.29Å; A67-T94 PolarHBondContact O-OG1 3.01Å; A67-T94 VanDerWaalsContact O-OG1 3.05Å; T94-T170 PolarHBondContact O-N 2.87Å; T94-T170 VanDerWaalsContact O-N 3.11Å
95G97.8Very high97.8Very high0 Ų031.4 Ų31.40%017%0.173CC..EExtended strand (participates in β ladder)trans-159.2172.3177.900000111.9I68 A69 T170I68-G95 CarbonylContact C-O 3.35Å; I68-G95 WeakPolarHBondContact CA-O 3.42Å; A69-G95 PolarHBondContact N-O 3.32Å; G95-T170 CarbonylContact C-O 3.59Å; G95-T170 WeakPolarHBondContact CA-O 3.3Å
96V98.6Very high97.7Very high0 Ų032.9 Ų32.90%019%0.189CC..EExtended strand (participates in β ladder)trans-129.9141175.6-67.40000108.8A69 A88 L98 C164 L169 T170 I171 F172A69-V96 HydrophobicContact CB-CG1 4.25Å; A69-V96 WeakPolarHBondContact O-CA 3.47Å; A88-V96 HydrophobicContact CB-CG1 3.63Å; V96-L98 HydrophobicContact CB-CD2 4.42Å; V96-L98 HydrophobicContact CB-CG 4.48Å; V96-L98 HydrophobicContact CG2-CD1 4.05Å; V96-L98 HydrophobicContact CG2-CD2 4.31Å; V96-L98 HydrophobicContact CG2-CG 4.05Å; V96-C164 WeakPolarHBondContact CG2-SG 3.03Å; V96-L169 HydrophobicContact CG1-CD1 3.82Å; V96-L169 HydrophobicContact CG2-CD1 4.48Å; V96-T170 PolarHBondContact N-O 3.24Å; V96-I171 CarbonylContact O-C 3.52Å; V96-F172 PolarHBondContact O-N 3.37Å
97E98.6Very high97.7Very high4 Ų430.2 Ų30.22%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-95138.8164.7179.9-71.4140.500108I68 A69 H70 R71 G72 F172 D174I68-E97 HydrophobicContact CG2-CB 4.06Å; A69-E97 PolarHBondContact O-N 3.35Å; H70-E97 IonicContact CD2-OE2 2.81Å; H70-E97 PolarHBondContact CD2-OE2 3.03Å; H70-E97 IonicContact NE2-OE2 3.63Å; R71-E97 CarbonylContact C-O 3.46Å; R71-E97 WeakPolarHBondContact CA-O 3.44Å; R71-E97 PolarHBondContact N-O 3.33Å; R71-E97 PolarHBondContact N-OE2 3.45Å; G72-E97 PolarHBondContact N-O 3.24Å; E97-F172 CarbonylContact C-O 3.6Å; E97-F172 VanDerWaalsContact CA-O 3.31Å; E97-F172 WeakPolarHBondContact CA-O 3.36Å; E97-F172 HydrophobicContact CB-CB 3.91Å; E97-F172 HydrophobicContact CG-CB 4.09Å; E97-D174 HydrophobicContact CG-CB 4.44Å; E97-D174 WeakPolarHBondContact OE1-CB 3.24Å
98L98.4Very high97.7Very high1 Ų129.6 Ų29.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-140.8128.3-175.5-57.8172.5000109.7I85 V96 L110 A160 I171 F172 D174I85-L98 HydrophobicContact CD1-CD1 4.11Å; I85-L98 HydrophobicContact CD1-CD2 4.23Å; I85-L98 HydrophobicContact CG1-CD2 4.06Å; V96-L98 HydrophobicContact CB-CD2 4.42Å; V96-L98 HydrophobicContact CB-CG 4.48Å; V96-L98 HydrophobicContact CG2-CD1 4.05Å; V96-L98 HydrophobicContact CG2-CD2 4.31Å; V96-L98 HydrophobicContact CG2-CG 4.05Å; L98-L110 HydrophobicContact CB-CD1 4.1Å; L98-L110 HydrophobicContact CB-CD2 4.14Å; L98-L110 HydrophobicContact CD1-CD1 4Å; L98-L110 HydrophobicContact CD2-CD1 3.83Å; L98-L110 HydrophobicContact CG-CD1 4.19Å; L98-A160 HydrophobicContact CD1-CB 4.19Å; L98-I171 HydrophobicContact CD1-CG2 3.89Å; L98-I171 HydrophobicContact CG-CG2 4.49Å; L98-F172 PolarHBondContact N-O 2.98Å; L98-D174 PolarHBondContact O-N 2.72Å
99D98.1Very high97.7Very high0 Ų029.6 Ų29.60%018%0.182CC..EExtended strand (participates in β ladder)trans-84.4128.5-179.3-58.3-76.4000110.7R71 N80 L110 M111 H112 D174 K176R71-D99 VanDerWaalsContact CD-OD2 3.24Å; R71-D99 WeakPolarHBondContact CD-OD2 3.3Å; R71-D99 VanDerWaalsContact CG-OD2 3.29Å; R71-D99 WeakPolarHBondContact CG-OD2 3.28Å; R71-D99 IonicContact NE-OD2 3.72Å; R71-D99 PolarHBondContact NE-OD2 3.05Å; N80-D99 PolarHBondContact ND2-OD2 2.91Å; N80-D99 PolarHBondContact OD1-N 2.83Å; D99-L110 WeakPolarHBondContact O-CA 3.45Å; D99-M111 WeakPolarHBondContact CB-O 3.29Å; D99-M111 PolarHBondContact O-N 2.86Å; D99-M111 VanDerWaalsContact O-N 3.11Å; D99-H112 HydrophobicContact CB-CB 4.35Å; D99-H112 IonicContact OD1-CD2 3.13Å; D99-H112 PolarHBondContact OD1-CD2 2.79Å; D99-H112 WeakPolarHBondContact OD2-CB 3.29Å; D99-H112 IonicContact OD2-CD2 2.69Å; D99-H112 IonicContact OD2-CG 3.99Å; D99-D174 WeakPolarHBondContact CA-O 3.4Å; D99-K176 WeakPolarHBondContact OD1-CE 3.13Å; D99-K176 IonicContact OD1-NZ 3.47Å; D99-K176 PolarHBondContact OD1-NZ 3.23Å
100I97.8Very high97.7Very high2 Ų228.4 Ų28.41%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-103.3126.6178.5-54.6179.2000110.6F102 P108 L157 F173 D174 V175 L186I100-F102 HydrophobicContact CG2-CE2 4.28Å; I100-F102 HydrophobicContact CG2-CZ 4.25Å; I100-P108 HydrophobicContact CG2-CB 4.44Å; I100-L157 HydrophobicContact CD1-CD1 3.7Å; I100-L157 HydrophobicContact CD1-CD2 4.07Å; I100-L157 HydrophobicContact CG1-CD1 4.05Å; I100-F173 HydrophobicContact CD1-CB 3.8Å; I100-F173 HydrophobicContact CD1-CD1 3.72Å; I100-F173 HydrophobicContact CD1-CG 4.03Å; I100-F173 HydrophobicContact CG1-CD1 4.42Å; I100-D174 PolarHBondContact N-O 3.15Å; I100-V175 HydrophobicContact CD1-CG2 4.24Å; I100-L186 HydrophobicContact CD1-CD1 4.45Å; I100-L186 HydrophobicContact CD1-CD2 3.78Å; I100-L186 HydrophobicContact CD1-CG 4.26Å
101E96.8Very high97.6Very high10 Ų1020.9 Ų20.95%0.04714%0.14CC..EExtended strand (participates in β ladder)trans-141.6172.1170.5-163.344.6-96.900111.8P108 V109 L126 H178E101-P108 WeakPolarHBondContact O-CA 3.27Å; E101-V109 PolarHBondContact N-O 2.67Å; E101-V109 PolarHBondContact O-N 2.48Å; E101-V109 VanDerWaalsContact O-O 3.13Å; E101-L126 HydrophobicContact CB-CD2 3.61Å; E101-L126 HydrophobicContact CG-CD2 3.36Å; E101-L126 HydrophobicContact CG-CG 4.44Å; E101-H178 IonicContact OE1-CD2 2.79Å; E101-H178 PolarHBondContact OE1-CD2 3.41Å; E101-H178 IonicContact OE1-NE2 2.74Å
102F97.4Very high97.5Very high11 Ų1121.1 Ų21.15%0.04814%0.139CC..EExtended strand (participates in β ladder)trans-121.4135.3-170-63.9-90.1000113I100 P108 H178 K181 A182 A185I100-F102 HydrophobicContact CG2-CE2 4.28Å; I100-F102 HydrophobicContact CG2-CZ 4.25Å; F102-P108 HydrophobicContact CD1-CB 4.16Å; F102-P108 HydrophobicContact CE1-CB 3.7Å; F102-P108 HydrophobicContact CE1-CG 4.49Å; F102-P108 HydrophobicContact CZ-CB 4.27Å; F102-H178 HydrophobicContact CD2-CB 4.31Å; F102-H178 HydrophobicContact CE2-CB 4.39Å; F102-K181 HydrophobicContact CD1-CB 4.43Å; F102-K181 HydrophobicContact CE1-CB 4.09Å; F102-K181 HydrophobicContact CE2-CB 4.22Å; F102-K181 HydrophobicContact CZ-CB 4.01Å; F102-A182 HydrophobicContact CE2-CB 4.2Å; F102-A182 HydrophobicContact CZ-CB 4.29Å; F102-A185 HydrophobicContact CE1-CB 4.07Å; F102-A185 HydrophobicContact CZ-CB 4.16Å
103T97.8Very high97.5Very high3 Ų319.9 Ų19.92%0.01812%0.12CC..  trans-70.3168.216968.40000111.4D105 G106 I107 V109 L129 F131 I134T103-D105 VanDerWaalsContact CB-OD1 3.24Å; T103-D105 WeakPolarHBondContact CB-OD1 3.25Å; T103-D105 PolarHBondContact O-N 3.43Å; T103-D105 PolarHBondContact OG1-OD1 3.12Å; T103-G106 WeakPolarHBondContact O-CA 3.43Å; T103-G106 PolarHBondContact O-N 3.46Å; T103-G106 PolarHBondContact OG1-N 3.16Å; T103-I107 HydrophobicContact CG2-CB 4.36Å; T103-I107 WeakPolarHBondContact CG2-O 3.31Å; T103-I107 PolarHBondContact N-O 3.05Å; T103-I107 VanDerWaalsContact N-O 3.08Å; T103-I107 WeakPolarHBondContact OG1-CB 3.23Å; T103-I107 PolarHBondContact OG1-N 2.87Å; T103-I107 PolarHBondContact OG1-O 3.29Å; T103-V109 HydrophobicContact CG2-CG1 3.66Å; T103-V109 HydrophobicContact CG2-CG2 3.99Å; T103-L129 WeakPolarHBondContact CB-O 3.25Å; T103-F131 HydrophobicContact CG2-CB 4.08Å; T103-F131 HydrophobicContact CG2-CD2 4.33Å; T103-I134 HydrophobicContact CG2-CD1 3.24Å
104S97.6Very high97.4Very high58 Ų5824.8 Ų24.841%0.40615%0.145SC..THydrogen-bonded Turntrans-61.2-32.9179.570.30000113.2G106 C127 L129 T130S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.3Å; S104-C127 WeakPolarHBondContact CA-O 3.29Å; S104-C127 WeakPolarHBondContact CB-O 3.37Å; S104-L129 WeakPolarHBondContact CB-O 3.43Å; S104-L129 PolarHBondContact N-O 3.41Å; S104-L129 PolarHBondContact OG-O 3.45Å; S104-L129 VanDerWaalsContact OG-O 3.13Å; S104-T130 PolarHBondContact OG-N 3.5Å
105D97.8Very high97.4Very high82 Ų8225.3 Ų25.344%0.43915%0.148SC..THydrogen-bonded Turntrans-84.27.2173.658-24.6000113.7T103 T130 F131T103-D105 VanDerWaalsContact CB-OD1 3.24Å; T103-D105 WeakPolarHBondContact CB-OD1 3.25Å; T103-D105 PolarHBondContact O-N 3.43Å; T103-D105 PolarHBondContact OG1-OD1 3.12Å; D105-T130 WeakPolarHBondContact OD1-CA 3.21Å; D105-F131 PolarHBondContact OD1-N 2.99Å
106G96.3Very high97.4Very high32 Ų3225.3 Ų25.333%0.3315%0.148SC..  trans80.517.3169.800000115.1T103 S104T103-G106 WeakPolarHBondContact O-CA 3.43Å; T103-G106 PolarHBondContact O-N 3.46Å; T103-G106 PolarHBondContact OG1-N 3.16Å; S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.3Å
107I97.9Very high97.3Very high55 Ų5528.6 Ų28.628%0.28217%0.165SC..  trans-81.4127.2177.2-59.6-169000108.8T103 V109 F131 T156T103-I107 HydrophobicContact CG2-CB 4.36Å; T103-I107 WeakPolarHBondContact CG2-O 3.31Å; T103-I107 PolarHBondContact N-O 3.05Å; T103-I107 VanDerWaalsContact N-O 3.08Å; T103-I107 WeakPolarHBondContact OG1-CB 3.23Å; T103-I107 PolarHBondContact OG1-N 2.87Å; T103-I107 PolarHBondContact OG1-O 3.29Å; I107-V109 PolarHBondContact O-N 3.33Å; I107-F131 HydrophobicContact CB-CB 4.04Å; I107-F131 HydrophobicContact CB-CG 4.34Å; I107-F131 HydrophobicContact CD1-CB 3.63Å; I107-F131 HydrophobicContact CD1-CD1 4.03Å; I107-F131 HydrophobicContact CD1-CG 3.97Å; I107-F131 HydrophobicContact CG1-CB 4.19Å; I107-F131 HydrophobicContact CG2-CB 4.29Å; I107-F131 HydrophobicContact CG2-CD2 4.05Å; I107-F131 HydrophobicContact CG2-CG 4.03Å; I107-T156 HydrophobicContact CG2-CG2 4.14Å
108P97.9Very high97.2Very high30 Ų3033.2 Ų33.220%0.19518%0.183CC..EExtended strand (participates in β ladder)trans-73.8124.5176.229.3-33.2000110.4I100 E101 F102 T156 L157 A185I100-P108 HydrophobicContact CG2-CB 4.44Å; E101-P108 WeakPolarHBondContact O-CA 3.27Å; F102-P108 HydrophobicContact CD1-CB 4.16Å; F102-P108 HydrophobicContact CE1-CB 3.7Å; F102-P108 HydrophobicContact CE1-CG 4.49Å; F102-P108 HydrophobicContact CZ-CB 4.27Å; P108-T156 WeakPolarHBondContact O-CA 3.38Å; P108-L157 HydrophobicContact CB-CB 3.85Å; P108-L157 HydrophobicContact CB-CD2 4.11Å; P108-L157 HydrophobicContact CG-CB 4.02Å; P108-L157 HydrophobicContact CG-CD2 4.37Å; P108-L157 PolarHBondContact O-N 2.81Å; P108-A185 HydrophobicContact CB-CB 4.25Å; P108-A185 HydrophobicContact CG-CB 4.19Å
109V98.3Very high97.1Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-125.7165.5178.9-65.60000110.4E101 T103 I107 L126 F131 I154 P155E101-V109 PolarHBondContact N-O 2.67Å; E101-V109 PolarHBondContact O-N 2.48Å; E101-V109 VanDerWaalsContact O-O 3.13Å; T103-V109 HydrophobicContact CG2-CG1 3.66Å; T103-V109 HydrophobicContact CG2-CG2 3.99Å; I107-V109 PolarHBondContact O-N 3.33Å; V109-L126 HydrophobicContact CG2-CD1 4.34Å; V109-L126 HydrophobicContact CG2-CD2 4.34Å; V109-F131 HydrophobicContact CG1-CD2 3.63Å; V109-F131 HydrophobicContact CG1-CE2 3.84Å; V109-I154 HydrophobicContact CB-CG2 4.09Å; V109-P155 WeakPolarHBondContact CA-O 3.28Å
110L98.1Very high97.1Very high2 Ų234.1 Ų34.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-91.1118.2171.7-56.7-166.9000111.6N80 L98 D99 P155 L157 A160N80-L110 HydrophobicContact CB-CB 3.73Å; N80-L110 WeakPolarHBondContact O-CB 3.36Å; L98-L110 HydrophobicContact CB-CD1 4.1Å; L98-L110 HydrophobicContact CB-CD2 4.14Å; L98-L110 HydrophobicContact CD1-CD1 4Å; L98-L110 HydrophobicContact CD2-CD1 3.83Å; L98-L110 HydrophobicContact CG-CD1 4.19Å; D99-L110 WeakPolarHBondContact O-CA 3.45Å; L110-P155 HydrophobicContact CB-CG 4.01Å; L110-P155 HydrophobicContact CD1-CG 3.8Å; L110-P155 HydrophobicContact CG-CG 3.88Å; L110-P155 PolarHBondContact N-O 3.02Å; L110-P155 VanDerWaalsContact N-O 3.1Å; L110-L157 HydrophobicContact CD2-CD1 4.37Å; L110-A160 HydrophobicContact CD1-CB 3.49Å; L110-A160 VanDerWaalsContact CD1-CB 3.49Å; L110-A160 HydrophobicContact CD2-CB 4.32Å; L110-A160 HydrophobicContact CG-CB 4.02Å
111M97.1Very high97Very high6 Ų638.9 Ų38.93%0.0321%0.214CC..  trans-167.5136.2175.7-171.5156.7-74.600110.7D99 V116 T120 L126 I154D99-M111 WeakPolarHBondContact CB-O 3.29Å; D99-M111 PolarHBondContact O-N 2.86Å; D99-M111 VanDerWaalsContact O-N 3.11Å; M111-V116 HydrophobicContact CE-CG1 4.21Å; M111-V116 HydrophobicContact SD-CG1 3.92Å; M111-T120 HydrophobicContact CE-CG2 4.17Å; M111-L126 HydrophobicContact CB-CD2 3.94Å; M111-L126 HydrophobicContact CG-CD2 4.16Å; M111-L126 HydrophobicContact SD-CD1 3.99Å; M111-L126 HydrophobicContact SD-CD2 3.91Å; M111-L126 HydrophobicContact SD-CG 4.41Å; M111-I154 HydrophobicContact CE-CD1 3.55Å; M111-I154 HydrophobicContact CE-CG1 4.24Å
112H95.6Very high97.1Very high43 Ų4339 Ų3920%0.19922%0.218CC..SBendtrans-78.6-43.5178.4-179.9-93.7000113.3R71 D99 K176R71-H112 PolarHBondContact NE-CD2 2.99Å; R71-H112 PolarHBondContact NH2-CD2 3.05Å; R71-H112 PolarHBondContact NH2-CE1 2.96Å; R71-H112 PolarHBondContact NH2-NE2 3.31Å; D99-H112 HydrophobicContact CB-CB 4.35Å; D99-H112 IonicContact OD1-CD2 3.13Å; D99-H112 PolarHBondContact OD1-CD2 2.79Å; D99-H112 WeakPolarHBondContact OD2-CB 3.29Å; D99-H112 IonicContact OD2-CD2 2.69Å; D99-H112 IonicContact OD2-CG 3.99Å; H112-K176 WeakPolarHBondContact CD2-CE 3.5Å; H112-K176 PolarHBondContact CD2-NZ 2.97Å; H112-K176 PolarHBondContact NE2-NZ 2.86Å
113D95.1Very high97.1Very high28 Ų2843.8 Ų43.815%0.1525%0.248CC..SBendtrans-91.4154.5-168.7-667.2000111.8T115 R118D113-T115 VanDerWaalsContact CB-O 3.27Å; D113-T115 WeakPolarHBondContact CB-O 3.44Å; D113-T115 PolarHBondContact O-N 3.16Å; D113-R118 IonicContact OD1-CZ 3.55Å; D113-R118 IonicContact OD1-NE 2.74Å; D113-R118 PolarHBondContact OD1-NE 3.3Å; D113-R118 IonicContact OD1-NH2 3.84Å; D113-R118 PolarHBondContact OD1-NH2 3.43Å; D113-R118 VanDerWaalsContact OD2-CB 3.31Å; D113-R118 WeakPolarHBondContact OD2-CB 3.31Å; D113-R118 IonicContact OD2-CZ 3.33Å; D113-R118 IonicContact OD2-NE 3.46Å; D113-R118 PolarHBondContact OD2-NE 2.85Å; D113-R118 IonicContact OD2-NH2 2.86Å; D113-R118 PolarHBondContact OD2-NH2 3.48Å
114N95Very high97Very high114 Ų11445.1 Ų45.161%0.6126%0.262SS*.SBendtrans-73.1-4.8171.2-65.2-26.8000113.1R125 L126N114-R125 CarbonylContact O-C 3.4Å; N114-R125 WeakPolarHBondContact O-CA 3.4Å; N114-L126 PolarHBondContact O-N 2.88Å
115T97.2Very high97Very high51 Ų5149 Ų4931%0.31327%0.268SS..BIsolated β-bridgetrans-132.9149.5-177.752.40000110D113 D117 G124 R125D113-T115 VanDerWaalsContact CB-O 3.27Å; D113-T115 WeakPolarHBondContact CB-O 3.44Å; D113-T115 PolarHBondContact O-N 3.16Å; T115-D117 VanDerWaalsContact C-N 3.33Å; T115-D117 WeakPolarHBondContact CB-OD2 3.39Å; T115-G124 CarbonylContact C-O 3.55Å; T115-G124 WeakPolarHBondContact CA-O 3.34Å; T115-G124 WeakPolarHBondContact CB-O 3.47Å; T115-R125 HydrophobicContact CG2-CG 4.21Å
116V97.8Very high97Very high0 Ų045.1 Ų45.10%025%0.248CC..SBendtrans-84.1-10.3-178.7-58.30000113.4M111 R118 T120 G124 L126 L129 L137M111-V116 HydrophobicContact CE-CG1 4.21Å; M111-V116 HydrophobicContact SD-CG1 3.92Å; V116-R118 PolarHBondContact O-N 3.07Å; V116-T120 HydrophobicContact CB-CG2 4.17Å; V116-T120 WeakPolarHBondContact O-CB 3.49Å; V116-T120 WeakPolarHBondContact O-CG2 3.45Å; V116-T120 PolarHBondContact O-N 2.92Å; V116-T120 PolarHBondContact O-OG1 3.03Å; V116-G124 PolarHBondContact N-O 3.27Å; V116-L126 HydrophobicContact CG1-CD1 4.27Å; V116-L129 HydrophobicContact CG1-CD1 3.93Å; V116-L129 HydrophobicContact CG2-CD1 4.15Å; V116-L137 HydrophobicContact CB-CD1 3.83Å; V116-L137 HydrophobicContact CG1-CD1 3.91Å; V116-L137 HydrophobicContact CG2-CD1 3.85Å
117D97.8Very high96.9Very high68 Ų6847 Ų4736%0.36425%0.254SS..THydrogen-bonded Turntrans-60.2-40.1-166.6-58.5-125.3000114.3T115 G122 T123 G124 N142T115-D117 VanDerWaalsContact C-N 3.33Å; T115-D117 WeakPolarHBondContact CB-OD2 3.39Å; D117-G122 WeakPolarHBondContact CA-O 3.47Å; D117-T123 VanDerWaalsContact OD1-CB 3.31Å; D117-T123 WeakPolarHBondContact OD1-CB 3.35Å; D117-T123 WeakPolarHBondContact OD1-CG2 3.13Å; D117-T123 WeakPolarHBondContact OD2-CA 3.22Å; D117-G124 PolarHBondContact OD2-N 2.86Å; D117-N142 PolarHBondContact O-ND2 3.35Å; D117-N142 VanDerWaalsContact O-ND2 3.13Å
118R96.5Very high96.9Very high102 Ų10248.6 Ų48.639%0.38526%0.264SS..THydrogen-bonded Turntrans-70.2-42.7-173.7-176.3177.759.277.73.2112E79 D113 V116 N142E79-R118 IonicContact OE1-CZ 3.57Å; E79-R118 IonicContact OE1-NH1 3.33Å; E79-R118 PolarHBondContact OE1-NH1 2.86Å; E79-R118 IonicContact OE1-NH2 2.72Å; E79-R118 PolarHBondContact OE1-NH2 2.99Å; E79-R118 IonicContact OE2-CZ 3.46Å; E79-R118 IonicContact OE2-NH1 2.72Å; E79-R118 PolarHBondContact OE2-NH1 3.2Å; E79-R118 IonicContact OE2-NH2 2.79Å; D113-R118 IonicContact OD1-CZ 3.55Å; D113-R118 IonicContact OD1-NE 2.74Å; D113-R118 PolarHBondContact OD1-NE 3.3Å; D113-R118 IonicContact OD1-NH2 3.84Å; D113-R118 PolarHBondContact OD1-NH2 3.43Å; D113-R118 VanDerWaalsContact OD2-CB 3.31Å; D113-R118 WeakPolarHBondContact OD2-CB 3.31Å; D113-R118 IonicContact OD2-CZ 3.33Å; D113-R118 IonicContact OD2-NE 3.46Å; D113-R118 PolarHBondContact OD2-NE 2.85Å; D113-R118 IonicContact OD2-NH2 2.86Å; D113-R118 PolarHBondContact OD2-NH2 3.48Å; V116-R118 PolarHBondContact O-N 3.07Å; R118-N142 VanDerWaalsContact O-CB 3.3Å; R118-N142 WeakPolarHBondContact O-CB 3.46Å; R118-N142 PolarHBondContact O-ND2 3.36Å
119T95.9Very high96.9Very high17 Ų1748.7 Ų48.710%0.10426%0.263CS..THydrogen-bonded Turntrans-102.7-10.7-170.259.70000113.4E79 P139E79-T119 HydrophobicContact CG-CG2 3.89Å; T119-P139 CarbonylContact O-C 3.58Å; T119-P139 WeakPolarHBondContact O-CA 3.32Å
120T97.4Very high96.9Very high2 Ų250.7 Ų50.71%0.01228%0.275CS..SBendtrans-123.9175.5-173.880.20000113.5M111 V116 G122 L137 N138 N142 I154M111-T120 HydrophobicContact CE-CG2 4.17Å; V116-T120 HydrophobicContact CB-CG2 4.17Å; V116-T120 WeakPolarHBondContact O-CB 3.49Å; V116-T120 WeakPolarHBondContact O-CG2 3.45Å; V116-T120 PolarHBondContact O-N 2.92Å; V116-T120 PolarHBondContact O-OG1 3.03Å; T120-G122 VanDerWaalsContact C-N 3.28Å; T120-G122 PolarHBondContact OG1-N 2.71Å; T120-L137 HydrophobicContact CG2-CB 4.26Å; T120-L137 HydrophobicContact CG2-CD1 4.32Å; T120-N138 VanDerWaalsContact CA-O 3.28Å; T120-N138 WeakPolarHBondContact CA-O 3.49Å; T120-N142 PolarHBondContact O-ND2 2.9Å; T120-I154 HydrophobicContact CG2-CD1 3.95Å
121D96.9Very high97Very high102 Ų10252.5 Ų52.555%0.54528%0.283SS..SBendtrans-84.72.5168.858.7-13.2000113.6L137 N138 A141D121-L137 WeakPolarHBondContact OD1-CA 3.4Å; D121-N138 PolarHBondContact OD1-N 3.33Å; D121-A141 HydrophobicContact CB-CB 3.75Å
122G96.9Very high97Very high14 Ų1458.2 Ų58.214%0.14431%0.309CS..  trans-99176.3176.900000113.4D117 T120D117-G122 WeakPolarHBondContact CA-O 3.47Å; T120-G122 VanDerWaalsContact C-N 3.28Å; T120-G122 PolarHBondContact OG1-N 2.71Å
123T97.5Very high97.1Very high110 Ų11060.6 Ų60.668%0.67532%0.32SS*.  trans-137.8152.7173.358.40000111.2D117D117-T123 VanDerWaalsContact OD1-CB 3.31Å; D117-T123 WeakPolarHBondContact OD1-CB 3.35Å; D117-T123 WeakPolarHBondContact OD1-CG2 3.13Å; D117-T123 WeakPolarHBondContact OD2-CA 3.22Å
124G97Very high97.3Very high31 Ų3159.2 Ų59.232%0.3231%0.313SS..SBendtrans116.1173.9173.900000114T115 V116 D117T115-G124 CarbonylContact C-O 3.55Å; T115-G124 WeakPolarHBondContact CA-O 3.34Å; T115-G124 WeakPolarHBondContact CB-O 3.47Å; V116-G124 PolarHBondContact N-O 3.27Å; D117-G124 PolarHBondContact OD2-N 2.86Å
125R97.8Very high97.4Very high140 Ų14057.2 Ų57.253%0.52830%0.297SS..BIsolated β-bridgetrans-77.3135.8-177.9-59.6-176.5-61.6-178.87110.5N114 T115 C127 D128N114-R125 CarbonylContact O-C 3.4Å; N114-R125 WeakPolarHBondContact O-CA 3.4Å; T115-R125 HydrophobicContact CG2-CG 4.21Å; R125-C127 PolarHBondContact O-N 2.97Å; R125-D128 IonicContact CZ-OD1 3.2Å; R125-D128 IonicContact CZ-OD2 3.92Å; R125-D128 IonicContact NE-OD1 2.66Å; R125-D128 IonicContact NE-OD2 3.02Å; R125-D128 PolarHBondContact NE-OD2 3.13Å; R125-D128 VanDerWaalsContact NH2-CG 3.33Å; R125-D128 IonicContact NH2-OD1 3.83Å; R125-D128 PolarHBondContact NH2-OD1 3.14Å; R125-D128 IonicContact NH2-OD2 3.19Å; R125-D128 PolarHBondContact NH2-OD2 3.03Å; R125-D128 PolarHBondContact O-N 3.11Å
126L96.3Very high97.4Very high1 Ų160.9 Ų60.91%0.00531%0.309CS..G310 helixtrans-57.5-38.9178.9-179.962.1000111.9E101 V109 M111 N114 V116 D128 L129 I134E101-L126 HydrophobicContact CB-CD2 3.61Å; E101-L126 HydrophobicContact CG-CD2 3.36Å; E101-L126 HydrophobicContact CG-CG 4.44Å; V109-L126 HydrophobicContact CG2-CD1 4.34Å; V109-L126 HydrophobicContact CG2-CD2 4.34Å; M111-L126 HydrophobicContact CB-CD2 3.94Å; M111-L126 HydrophobicContact CG-CD2 4.16Å; M111-L126 HydrophobicContact SD-CD1 3.99Å; M111-L126 HydrophobicContact SD-CD2 3.91Å; M111-L126 HydrophobicContact SD-CG 4.41Å; N114-L126 PolarHBondContact O-N 2.88Å; V116-L126 HydrophobicContact CG1-CD1 4.27Å; L126-D128 PolarHBondContact O-N 3.42Å; L126-L129 PolarHBondContact O-N 2.78Å; L126-L129 VanDerWaalsContact O-N 3.16Å; L126-I134 HydrophobicContact CD1-CD1 3.32Å; L126-I134 HydrophobicContact CD1-CG1 4Å
127C95.4Very high97.4Very high70 Ų7062.1 Ų62.147%0.47332%0.315SS..G310 helixtrans-70.4-8.2179.562.50000114.8S104 R125S104-C127 WeakPolarHBondContact CA-O 3.29Å; S104-C127 WeakPolarHBondContact CB-O 3.37Å; R125-C127 PolarHBondContact O-N 2.97Å
128D97.9Very high97.4Very high89 Ų8960.8 Ų60.848%0.47631%0.308SS..G310 helixtrans-98.9-9.4174.9-63.5-33.3000112.4R125 L126R125-D128 IonicContact CZ-OD1 3.2Å; R125-D128 IonicContact CZ-OD2 3.92Å; R125-D128 IonicContact NE-OD1 2.66Å; R125-D128 IonicContact NE-OD2 3.02Å; R125-D128 PolarHBondContact NE-OD2 3.13Å; R125-D128 VanDerWaalsContact NH2-CG 3.33Å; R125-D128 IonicContact NH2-OD1 3.83Å; R125-D128 PolarHBondContact NH2-OD1 3.14Å; R125-D128 IonicContact NH2-OD2 3.19Å; R125-D128 PolarHBondContact NH2-OD2 3.03Å; R125-D128 PolarHBondContact O-N 3.11Å; L126-D128 PolarHBondContact O-N 3.42Å
129L98.3Very high97.4Very high33 Ų3356.3 Ų56.317%0.17329%0.292CS..SBendtrans-107.3137.1-174.7-61.2174.2000111.8T103 S104 V116 L126 Q133 I134T103-L129 WeakPolarHBondContact CB-O 3.25Å; S104-L129 WeakPolarHBondContact CB-O 3.43Å; S104-L129 PolarHBondContact N-O 3.41Å; S104-L129 PolarHBondContact OG-O 3.45Å; S104-L129 VanDerWaalsContact OG-O 3.13Å; V116-L129 HydrophobicContact CG1-CD1 3.93Å; V116-L129 HydrophobicContact CG2-CD1 4.15Å; L126-L129 PolarHBondContact O-N 2.78Å; L126-L129 VanDerWaalsContact O-N 3.16Å; L129-Q133 HydrophobicContact CB-CB 4.48Å; L129-I134 HydrophobicContact CB-CD1 3.85Å; L129-I134 HydrophobicContact CB-CG1 3.68Å; L129-I134 HydrophobicContact CD1-CG1 4.24Å; L129-I134 WeakPolarHBondContact O-CD1 3.21Å
130T98.6Very high97.4Very high42 Ų4255.5 Ų55.526%0.25829%0.287SS..  trans-74.2159.8172.9690000110.7S104 D105 E132 Q133 I134S104-T130 PolarHBondContact OG-N 3.5Å; D105-T130 WeakPolarHBondContact OD1-CA 3.21Å; T130-E132 PolarHBondContact O-N 3.22Å; T130-Q133 WeakPolarHBondContact O-CB 3.41Å; T130-Q133 PolarHBondContact O-N 3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.38Å; T130-Q133 PolarHBondContact OG1-N 3.03Å; T130-Q133 PolarHBondContact OG1-OE1 3.38Å; T130-I134 WeakPolarHBondContact O-CD1 3.39Å; T130-I134 WeakPolarHBondContact O-CG1 3.49Å; T130-I134 PolarHBondContact O-N 2.82Å
131F98.4Very high97.3Very high40 Ų4056.1 Ų56.118%0.17529%0.293CS..Hα-helixtrans-57.5-36.9174.6179.7-114000112.9T103 D105 I107 V109 Q133 I134 R135 T156T103-F131 HydrophobicContact CG2-CB 4.08Å; T103-F131 HydrophobicContact CG2-CD2 4.33Å; D105-F131 PolarHBondContact OD1-N 2.99Å; I107-F131 HydrophobicContact CB-CB 4.04Å; I107-F131 HydrophobicContact CB-CG 4.34Å; I107-F131 HydrophobicContact CD1-CB 3.63Å; I107-F131 HydrophobicContact CD1-CD1 4.03Å; I107-F131 HydrophobicContact CD1-CG 3.97Å; I107-F131 HydrophobicContact CG1-CB 4.19Å; I107-F131 HydrophobicContact CG2-CB 4.29Å; I107-F131 HydrophobicContact CG2-CD2 4.05Å; I107-F131 HydrophobicContact CG2-CG 4.03Å; V109-F131 HydrophobicContact CG1-CD2 3.63Å; V109-F131 HydrophobicContact CG1-CE2 3.84Å; F131-Q133 VanDerWaalsContact C-N 3.28Å; F131-Q133 PolarHBondContact O-N 3.24Å; F131-I134 PolarHBondContact O-N 3.06Å; F131-R135 HydrophobicContact CE2-CB 4.48Å; F131-R135 HydrophobicContact CZ-CB 4.32Å; F131-R135 HydrophobicContact CZ-CG 4.25Å; F131-R135 WeakPolarHBondContact O-CB 2.95Å; F131-R135 PolarHBondContact O-N 2.86Å; F131-T156 HydrophobicContact CD2-CG2 4.36Å; F131-T156 HydrophobicContact CE1-CG2 4.05Å; F131-T156 HydrophobicContact CE2-CG2 3.51Å; F131-T156 HydrophobicContact CZ-CG2 3.32Å
132E98.3Very high97.2Very high126 Ų12655.9 Ų55.959%0.58929%0.291SS*.Hα-helixtrans-62-37.6177.1-162.6-153.7135.200112.1T130 K136T130-E132 PolarHBondContact O-N 3.22Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 WeakPolarHBondContact OE1-CE 3.36Å; E132-K136 IonicContact OE1-NZ 3.41Å; E132-K136 PolarHBondContact OE1-NZ 2.92Å
133Q98.3Very high97.2Very high92 Ų9256.6 Ų56.643%0.4329%0.291SS..Hα-helixtrans-70.1-47.1175.8-68.6170.5-46.700110.8L129 T130 F131 R135 K136L129-Q133 HydrophobicContact CB-CB 4.48Å; T130-Q133 WeakPolarHBondContact O-CB 3.41Å; T130-Q133 PolarHBondContact O-N 3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.38Å; T130-Q133 PolarHBondContact OG1-N 3.03Å; T130-Q133 PolarHBondContact OG1-OE1 3.38Å; F131-Q133 VanDerWaalsContact C-N 3.28Å; F131-Q133 PolarHBondContact O-N 3.24Å; Q133-R135 VanDerWaalsContact C-N 3.31Å; Q133-R135 PolarHBondContact O-N 2.78Å; Q133-K136 WeakPolarHBondContact O-CB 3.48Å; Q133-K136 PolarHBondContact O-N 3.14Å; Q133-K136 VanDerWaalsContact O-N 3.16Å
134I97.5Very high97Very high0 Ų057.3 Ų57.30%028%0.281CS..Hα-helixtrans-61.9-40.5179.9-70.4159.7000111T103 L126 L129 T130 F131 K136 L137 I154T103-I134 HydrophobicContact CG2-CD1 3.24Å; L126-I134 HydrophobicContact CD1-CD1 3.32Å; L126-I134 HydrophobicContact CD1-CG1 4Å; L129-I134 HydrophobicContact CB-CD1 3.85Å; L129-I134 HydrophobicContact CB-CG1 3.68Å; L129-I134 HydrophobicContact CD1-CG1 4.24Å; L129-I134 WeakPolarHBondContact O-CD1 3.21Å; T130-I134 WeakPolarHBondContact O-CD1 3.39Å; T130-I134 WeakPolarHBondContact O-CG1 3.49Å; T130-I134 PolarHBondContact O-N 2.82Å; F131-I134 PolarHBondContact O-N 3.06Å; I134-K136 PolarHBondContact O-N 2.81Å; I134-K136 VanDerWaalsContact O-N 3.12Å; I134-L137 WeakPolarHBondContact O-CB 3.48Å; I134-L137 PolarHBondContact O-N 2.93Å; I134-I154 HydrophobicContact CG2-CB 3.95Å; I134-I154 HydrophobicContact CG2-CD1 3.47Å; I134-I154 VanDerWaalsContact CG2-CD1 3.47Å; I134-I154 HydrophobicContact CG2-CG1 4.31Å; I134-I154 HydrophobicContact CG2-CG2 3.83Å
135R97.6Very high96.9Very high71 Ų7158 Ų5827%0.26828%0.277SS..THydrogen-bonded Turntrans-64.4-17.9-179.9-16662.1174.5-146.6-10.1113.2F131 Q133 K153 I154 E159F131-R135 HydrophobicContact CE2-CB 4.48Å; F131-R135 HydrophobicContact CZ-CB 4.32Å; F131-R135 HydrophobicContact CZ-CG 4.25Å; F131-R135 WeakPolarHBondContact O-CB 2.95Å; F131-R135 PolarHBondContact O-N 2.86Å; Q133-R135 VanDerWaalsContact C-N 3.31Å; Q133-R135 PolarHBondContact O-N 2.78Å; R135-K153 VanDerWaalsContact O-CD 3.25Å; R135-K153 WeakPolarHBondContact O-CD 3.46Å; R135-I154 PolarHBondContact NH1-O 3.36Å; R135-E159 IonicContact CZ-OE1 3.59Å; R135-E159 IonicContact CZ-OE2 3.25Å; R135-E159 IonicContact NH1-OE1 2.73Å; R135-E159 PolarHBondContact NH1-OE1 2.82Å; R135-E159 IonicContact NH1-OE2 3.77Å; R135-E159 PolarHBondContact NH1-OE2 2.85Å; R135-E159 IonicContact NH2-OE1 2.78Å; R135-E159 PolarHBondContact NH2-OE1 3.21Å; R135-E159 IonicContact NH2-OE2 2.76Å
136K97.6Very high96.7Very high129 Ų12957.7 Ų57.756%0.56128%0.276SS*.THydrogen-bonded Turntrans-80.8-22.7176-68.7168.7-170.5169.70112.7E132 Q133 I134E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 WeakPolarHBondContact OE1-CE 3.36Å; E132-K136 IonicContact OE1-NZ 3.41Å; E132-K136 PolarHBondContact OE1-NZ 2.92Å; Q133-K136 WeakPolarHBondContact O-CB 3.48Å; Q133-K136 PolarHBondContact O-N 3.14Å; Q133-K136 VanDerWaalsContact O-N 3.16Å; I134-K136 PolarHBondContact O-N 2.81Å; I134-K136 VanDerWaalsContact O-N 3.12Å
137L97.8Very high96.7Very high26 Ų2664.1 Ų64.114%0.13631%0.31CS..SBendtrans-69.2151.2-178.8-55.4-179.1000111.6V116 T120 D121 I134 P139 I154V116-L137 HydrophobicContact CB-CD1 3.83Å; V116-L137 HydrophobicContact CG1-CD1 3.91Å; V116-L137 HydrophobicContact CG2-CD1 3.85Å; T120-L137 HydrophobicContact CG2-CB 4.26Å; T120-L137 HydrophobicContact CG2-CD1 4.32Å; D121-L137 WeakPolarHBondContact OD1-CA 3.4Å; I134-L137 WeakPolarHBondContact O-CB 3.48Å; I134-L137 PolarHBondContact O-N 2.93Å; L137-P139 WeakPolarHBondContact O-CD 3.36Å; L137-I154 HydrophobicContact CB-CD1 4.2Å; L137-I154 HydrophobicContact CD1-CD1 4.48Å
138N97.5Very high96.8Very high40 Ų4066 Ų6621%0.21432%0.316CS..  trans-96.9105.6174.1-179.9-1.2000110.3T120 D121 A140 A141T120-N138 VanDerWaalsContact CA-O 3.28Å; T120-N138 WeakPolarHBondContact CA-O 3.49Å; D121-N138 PolarHBondContact OD1-N 3.33Å; N138-A140 PolarHBondContact O-N 3.49Å; N138-A140 VanDerWaalsContact O-N 3.16Å; N138-A140 WeakPolarHBondContact OD1-CB 3.5Å; N138-A140 PolarHBondContact OD1-N 3.32Å; N138-A141 HydrophobicContact CB-CB 4.39Å; N138-A141 WeakPolarHBondContact O-CB 3.33Å; N138-A141 PolarHBondContact O-N 2.97Å
139P97.1Very high96.6Very high7 Ų763.1 Ų63.15%0.04530%0.299CS..THydrogen-bonded Turntrans-72.2-3.318033.7-37.2000114.1T81 T119 L137 E152 I154T81-P139 HydrophobicContact CG2-CB 3.75Å; T81-P139 HydrophobicContact CG2-CG 3.62Å; T119-P139 CarbonylContact O-C 3.58Å; T119-P139 WeakPolarHBondContact O-CA 3.32Å; L137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-E152 VanDerWaalsContact CD-O 3.32Å; P139-E152 WeakPolarHBondContact CD-O 3.45Å; P139-E152 HydrophobicContact CG-CB 4.02Å; P139-E152 HydrophobicContact CG-CG 3.91Å; P139-I154 HydrophobicContact CB-CG1 3.91Å; P139-I154 HydrophobicContact CG-CG1 4.26Å
140A96.4Very high96Very high0 Ų065.8 Ų65.80%032%0.319CS..THydrogen-bonded Turntrans-97.8-7.9175.800000112.9P78 N138 N142 H143 R146 F149P78-A140 HydrophobicContact CB-CB 4.06Å; P78-A140 HydrophobicContact CG-CB 3.5Å; N138-A140 PolarHBondContact O-N 3.49Å; N138-A140 VanDerWaalsContact O-N 3.16Å; N138-A140 WeakPolarHBondContact OD1-CB 3.5Å; N138-A140 PolarHBondContact OD1-N 3.32Å; A140-N142 VanDerWaalsContact C-N 3.27Å; A140-N142 PolarHBondContact O-N 3.44Å; A140-N142 VanDerWaalsContact O-N 3.09Å; A140-H143 WeakPolarHBondContact O-CB 3.01Å; A140-H143 PolarHBondContact O-N 3.18Å; A140-R146 HydrophobicContact CB-CB 4.45Å; A140-R146 WeakPolarHBondContact O-CB 3.27Å; A140-F149 HydrophobicContact CB-CB 4.13Å
141A95.3Very high95.5Very high16 Ų1670.2 Ų70.213%0.13234%0.34CS..THydrogen-bonded Turntrans-53.1-41-166.200000114.3D121 N138 R146D121-A141 HydrophobicContact CB-CB 3.75Å; N138-A141 HydrophobicContact CB-CB 4.39Å; N138-A141 WeakPolarHBondContact O-CB 3.33Å; N138-A141 PolarHBondContact O-N 2.97Å; A141-R146 VanDerWaalsContact O-CD 3.3Å; A141-R146 WeakPolarHBondContact O-CD 3.35Å
142N94.6Very high95.4Very high97 Ų9769.5 Ų69.552%0.51934%0.338SS..THydrogen-bonded Turntrans-101.25.7-178.2-59-30.4000113.2D117 R118 T120 A140D117-N142 PolarHBondContact O-ND2 3.35Å; D117-N142 VanDerWaalsContact O-ND2 3.13Å; R118-N142 VanDerWaalsContact O-CB 3.3Å; R118-N142 WeakPolarHBondContact O-CB 3.46Å; R118-N142 PolarHBondContact O-ND2 3.36Å; T120-N142 PolarHBondContact O-ND2 2.9Å; A140-N142 VanDerWaalsContact C-N 3.27Å; A140-N142 PolarHBondContact O-N 3.44Å; A140-N142 VanDerWaalsContact O-N 3.09Å
143H95.4Very high95.3Very high29 Ų2967.3 Ų67.313%0.13433%0.326CS..SBendtrans-80.9146.7179.4-170.1-102.8000111.6S74 P78 A140 L145 R146S74-H143 PolarHBondContact O-NE2 2.87Å; S74-H143 VanDerWaalsContact O-NE2 3.11Å; P78-H143 HydrophobicContact CB-CB 4.31Å; P78-H143 HydrophobicContact CG-CB 4.05Å; A140-H143 WeakPolarHBondContact O-CB 3.01Å; A140-H143 PolarHBondContact O-N 3.18Å; H143-L145 PolarHBondContact ND1-N 3.2Å; H143-L145 VanDerWaalsContact ND1-N 3.1Å; H143-L145 PolarHBondContact O-N 3.38Å; H143-R146 WeakPolarHBondContact O-CB 2.87Å; H143-R146 PolarHBondContact O-N 3.22Å; H143-R146 VanDerWaalsContact O-N 3.15Å
144R94.1Very high95.3Very high125 Ų12563 Ų6347%0.47231%0.306SS..THydrogen-bonded Turntrans-61.1-32.5-17977.2-172.6179.9108.7-8112.9H75 E325H75-R144 PolarHBondContact CD2-NH2 2.92Å; H75-R144 PolarHBondContact NE2-NH2 3.11Å; H75-R144 PolarHBondContact O-NE 3.47Å; H75-R144 PolarHBondContact O-NH2 3.33Å; R144-E325 IonicContact CZ-OE1 3.35Å; R144-E325 VanDerWaalsContact CZ-OE1 3.25Å; R144-E325 IonicContact NH1-OE1 3.52Å; R144-E325 PolarHBondContact NH1-OE1 3.01Å; R144-E325 IonicContact NH2-OE1 2.72Å; R144-E325 PolarHBondContact NH2-OE1 3.33Å
145L95.4Very high95.4Very high45 Ų4563.1 Ų63.124%0.23631%0.307CS..THydrogen-bonded Turntrans-99.921.4-179.7-55-179000113D76 H143 N147 D148 F149D76-L145 WeakPolarHBondContact O-CD1 3.31Å; H143-L145 PolarHBondContact ND1-N 3.2Å; H143-L145 VanDerWaalsContact ND1-N 3.1Å; H143-L145 PolarHBondContact O-N 3.38Å; L145-N147 PolarHBondContact O-N 2.75Å; L145-D148 WeakPolarHBondContact O-CB 3.22Å; L145-D148 PolarHBondContact O-N 3.44Å; L145-F149 HydrophobicContact CB-CD2 4.26Å; L145-F149 HydrophobicContact CB-CE2 3.84Å; L145-F149 HydrophobicContact CD1-CE2 4.4Å; L145-F149 VanDerWaalsContact O-CD2 3.3Å; L145-F149 WeakPolarHBondContact O-CD2 3.39Å
146R94.1Very high95.4Very high134 Ų13460.8 Ų60.851%0.50630%0.301SS..G310 helixtrans-49.3-32.7-17368.4-172.6178.8-150.9-4.9115.6A140 A141 H143 D148 F149A140-R146 HydrophobicContact CB-CB 4.45Å; A140-R146 WeakPolarHBondContact O-CB 3.27Å; A141-R146 VanDerWaalsContact O-CD 3.3Å; A141-R146 WeakPolarHBondContact O-CD 3.35Å; H143-R146 WeakPolarHBondContact O-CB 2.87Å; H143-R146 PolarHBondContact O-N 3.22Å; H143-R146 VanDerWaalsContact O-N 3.15Å; R146-D148 PolarHBondContact O-N 2.7Å; R146-F149 CarbonylContact O-C 3.3Å; R146-F149 PolarHBondContact O-N 2.67Å
147N96Very high95.5Very high135 Ų13554.7 Ų54.772%0.72227%0.274SS*.G310 helixtrans-69.9-22.4-178-63.3-22.7000112.5L145 F149L145-N147 PolarHBondContact O-N 2.75Å; N147-F149 VanDerWaalsContact C-N 3.29Å
148D96.1Very high95.5Very high109 Ų10959.6 Ų59.658%0.58329%0.291SS*.G310 helixtrans-83.4-9.7178.9-57.6-30.7000112L145 R146 P150L145-D148 WeakPolarHBondContact O-CB 3.22Å; L145-D148 PolarHBondContact O-N 3.44Å; R146-D148 PolarHBondContact O-N 2.7Å; D148-P150 VanDerWaalsContact C-CD 3.45Å
149F94.8Very high95.6Very high29 Ų2960.5 Ų60.513%0.12729%0.294CS..  trans-130.157.9-176.2-53.8-78.6000112.4A77 P78 A83 A140 L145 R146 N147 D151A77-F149 HydrophobicContact CB-CE1 4.18Å; A77-F149 HydrophobicContact CB-CE2 4.23Å; A77-F149 HydrophobicContact CB-CZ 3.72Å; P78-F149 HydrophobicContact CG-CB 4.07Å; P78-F149 HydrophobicContact CG-CD2 3.74Å; P78-F149 HydrophobicContact CG-CE2 4.4Å; P78-F149 HydrophobicContact CG-CG 3.94Å; A83-F149 HydrophobicContact CB-CD1 3.54Å; A83-F149 HydrophobicContact CB-CE1 3.79Å; A140-F149 HydrophobicContact CB-CB 4.13Å; L145-F149 HydrophobicContact CB-CD2 4.26Å; L145-F149 HydrophobicContact CB-CE2 3.84Å; L145-F149 HydrophobicContact CD1-CE2 4.4Å; L145-F149 VanDerWaalsContact O-CD2 3.3Å; L145-F149 WeakPolarHBondContact O-CD2 3.39Å; R146-F149 CarbonylContact O-C 3.3Å; R146-F149 PolarHBondContact O-N 2.67Å; N147-F149 VanDerWaalsContact C-N 3.29Å; F149-D151 VanDerWaalsContact C-N 3.29Å; F149-D151 PolarHBondContact O-N 3.29Å
150P84.6Confident95.6Very high90 Ų9060.2 Ų60.258%0.58429%0.292SS*.THydrogen-bonded Turntrans-72.6-8.7-167.528.7-35.9000116.3D148D148-P150 VanDerWaalsContact C-CD 3.45Å
151D89.4Confident95.7Very high134 Ų13460.2 Ų60.272%0.71729%0.292SS*.THydrogen-bonded Turntrans-131.116.2-174-68.1-57.8000113.8F149F149-D151 VanDerWaalsContact C-N 3.29Å; F149-D151 PolarHBondContact O-N 3.29Å
152E95.6Very high95.9Very high26 Ų2661 Ų6112%0.12130%0.298CS..  trans-66.9153-175.7-159.757.5-154.200111.6T81 L82 A83 P139T81-E152 WeakPolarHBondContact CB-OE1 3.38Å; T81-E152 HydrophobicContact CG2-CG 3.58Å; L82-E152 PolarHBondContact N-OE1 3.22Å; A83-E152 HydrophobicContact CB-CG 4.21Å; A83-E152 VanDerWaalsContact CB-OE2 3.31Å; A83-E152 WeakPolarHBondContact CB-OE2 3.5Å; A83-E152 PolarHBondContact N-OE1 3.02Å; P139-E152 VanDerWaalsContact CD-O 3.32Å; P139-E152 WeakPolarHBondContact CD-O 3.45Å; P139-E152 HydrophobicContact CG-CB 4.02Å; P139-E152 HydrophobicContact CG-CG 3.91Å
153K97.1Very high96.1Very high80 Ų8057.4 Ų57.435%0.34828%0.278SS..  trans-135.2149.3-178.5-60-67.1159.9-1590109.6R135 P155R135-K153 VanDerWaalsContact O-CD 3.25Å; R135-K153 WeakPolarHBondContact O-CD 3.46Å; K153-P155 VanDerWaalsContact O-CD 3.25Å; K153-P155 WeakPolarHBondContact O-CD 3.46Å
154I98.1Very high96.2Very high2 Ų256 Ų561%0.0127%0.272CS..PPolyproline II helixtrans-65.5117.4172.2-63.5166000107.9V109 M111 T120 I134 R135 L137 P139V109-I154 HydrophobicContact CB-CG2 4.09Å; M111-I154 HydrophobicContact CE-CD1 3.55Å; M111-I154 HydrophobicContact CE-CG1 4.24Å; T120-I154 HydrophobicContact CG2-CD1 3.95Å; I134-I154 HydrophobicContact CG2-CB 3.95Å; I134-I154 HydrophobicContact CG2-CD1 3.47Å; I134-I154 VanDerWaalsContact CG2-CD1 3.47Å; I134-I154 HydrophobicContact CG2-CG1 4.31Å; I134-I154 HydrophobicContact CG2-CG2 3.83Å; R135-I154 PolarHBondContact NH1-O 3.36Å; L137-I154 HydrophobicContact CB-CD1 4.2Å; L137-I154 HydrophobicContact CD1-CD1 4.48Å; P139-I154 HydrophobicContact CB-CG1 3.91Å; P139-I154 HydrophobicContact CG-CG1 4.26Å
155P98.2Very high96.4Very high1 Ų151.5 Ų51.51%0.00626%0.257CS..PPolyproline II helixtrans-80.1151.3-176.331.8-32.6000111.5N80 L82 V109 L110 K153 E159N80-P155 WeakPolarHBondContact O-CD 3.13Å; N80-P155 VanDerWaalsContact O-CG 3.29Å; N80-P155 WeakPolarHBondContact O-CG 3.34Å; L82-P155 HydrophobicContact CD2-CB 3.71Å; L82-P155 HydrophobicContact CD2-CG 4.26Å; L82-P155 HydrophobicContact CG-CB 3.94Å; V109-P155 WeakPolarHBondContact CA-O 3.28Å; L110-P155 HydrophobicContact CB-CG 4.01Å; L110-P155 HydrophobicContact CD1-CG 3.8Å; L110-P155 HydrophobicContact CG-CG 3.88Å; L110-P155 PolarHBondContact N-O 3.02Å; L110-P155 VanDerWaalsContact N-O 3.1Å; K153-P155 VanDerWaalsContact O-CD 3.25Å; K153-P155 WeakPolarHBondContact O-CD 3.46Å; P155-E159 WeakPolarHBondContact CA-OE2 3.47Å; P155-E159 HydrophobicContact CB-CB 4.35Å
156T98.6Very high96.6Very high23 Ų2355.2 Ų55.214%0.14128%0.277CS..BIsolated β-bridgetrans-70.8157.1160.562.20000110I107 P108 F131 R158 E159 A160I107-T156 HydrophobicContact CG2-CG2 4.14Å; P108-T156 WeakPolarHBondContact O-CA 3.38Å; F131-T156 HydrophobicContact CD2-CG2 4.36Å; F131-T156 HydrophobicContact CE1-CG2 4.05Å; F131-T156 HydrophobicContact CE2-CG2 3.51Å; F131-T156 HydrophobicContact CZ-CG2 3.32Å; T156-R158 PolarHBondContact O-N 3Å; T156-E159 PolarHBondContact N-OE2 3.11Å; T156-E159 PolarHBondContact O-N 3.1Å; T156-E159 VanDerWaalsContact OG1-CG 3.27Å; T156-E159 WeakPolarHBondContact OG1-CG 3.2Å; T156-E159 PolarHBondContact OG1-N 3.34Å; T156-E159 PolarHBondContact OG1-OE2 2.82Å; T156-E159 VanDerWaalsContact OG1-OE2 3.05Å; T156-A160 PolarHBondContact O-N 2.8Å; T156-A160 VanDerWaalsContact O-N 3.11Å
157L98.6Very high96.7Very high0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-53.2-40.5172.5176.261.1000112.1I100 P108 L110 A160 V161 F173 A185 L186 M189I100-L157 HydrophobicContact CD1-CD1 3.7Å; I100-L157 HydrophobicContact CD1-CD2 4.07Å; I100-L157 HydrophobicContact CG1-CD1 4.05Å; P108-L157 HydrophobicContact CB-CB 3.85Å; P108-L157 HydrophobicContact CB-CD2 4.11Å; P108-L157 HydrophobicContact CG-CB 4.02Å; P108-L157 HydrophobicContact CG-CD2 4.37Å; P108-L157 PolarHBondContact O-N 2.81Å; L110-L157 HydrophobicContact CD2-CD1 4.37Å; L157-A160 PolarHBondContact O-N 3.4Å; L157-V161 HydrophobicContact CD1-CG2 4.22Å; L157-V161 VanDerWaalsContact O-CG2 3.32Å; L157-V161 WeakPolarHBondContact O-CG2 3.33Å; L157-V161 PolarHBondContact O-N 3.5Å; L157-F173 HydrophobicContact CD1-CD1 3.97Å; L157-F173 HydrophobicContact CD1-CE1 3.66Å; L157-A185 HydrophobicContact CD2-CB 4.42Å; L157-L186 HydrophobicContact CD2-CD2 4.3Å; L157-M189 HydrophobicContact CD2-CG 3.75Å; L157-M189 HydrophobicContact CG-CG 3.97Å; L157-M189 HydrophobicContact CG-SD 4.3Å
158R98.6Very high96.7Very high130 Ų13052.5 Ų52.549%0.49127%0.27SS..Hα-helixtrans-64.3-44.5-179.5-175-179177.9-86.8-4.8112.5T156 A160 V161 A162 M189 E192 F193T156-R158 PolarHBondContact O-N 3Å; R158-A160 VanDerWaalsContact C-N 3.33Å; R158-V161 PolarHBondContact O-N 2.51Å; R158-A162 PolarHBondContact O-N 2.84Å; R158-M189 HydrophobicContact CB-CE 4.21Å; R158-M189 HydrophobicContact CB-SD 3.85Å; R158-M189 HydrophobicContact CG-CE 4.35Å; R158-M189 HydrophobicContact CG-SD 4.21Å; R158-E192 IonicContact CZ-OE1 2.81Å; R158-E192 VanDerWaalsContact NE-CD 3.34Å; R158-E192 IonicContact NE-OE1 3.55Å; R158-E192 PolarHBondContact NE-OE1 3.47Å; R158-E192 IonicContact NE-OE2 3.72Å; R158-E192 PolarHBondContact NE-OE2 2.52Å; R158-E192 IonicContact NH2-OE1 3.71Å; R158-E192 PolarHBondContact NH2-OE1 2.78Å; R158-F193 HydrophobicContact CG-CE2 4.12Å; R158-F193 HydrophobicContact CG-CZ 4.37Å
159E98.8Very high96.8Very high59 Ų5947.5 Ų47.528%0.27624%0.243SC..Hα-helixtrans-61.5-44.3176.7-73.1167139.100110.9L82 R135 P155 T156 A162 E163L82-E159 HydrophobicContact CD1-CB 4.42Å; L82-E159 HydrophobicContact CD2-CB 4.32Å; R135-E159 IonicContact CZ-OE1 3.59Å; R135-E159 IonicContact CZ-OE2 3.25Å; R135-E159 IonicContact NH1-OE1 2.73Å; R135-E159 PolarHBondContact NH1-OE1 2.82Å; R135-E159 IonicContact NH1-OE2 3.77Å; R135-E159 PolarHBondContact NH1-OE2 2.85Å; R135-E159 IonicContact NH2-OE1 2.78Å; R135-E159 PolarHBondContact NH2-OE1 3.21Å; R135-E159 IonicContact NH2-OE2 2.76Å; P155-E159 WeakPolarHBondContact CA-OE2 3.47Å; P155-E159 HydrophobicContact CB-CB 4.35Å; T156-E159 PolarHBondContact N-OE2 3.11Å; T156-E159 PolarHBondContact O-N 3.1Å; T156-E159 VanDerWaalsContact OG1-CG 3.27Å; T156-E159 WeakPolarHBondContact OG1-CG 3.2Å; T156-E159 PolarHBondContact OG1-N 3.34Å; T156-E159 PolarHBondContact OG1-OE2 2.82Å; T156-E159 VanDerWaalsContact OG1-OE2 3.05Å; E159-A162 PolarHBondContact O-N 3.26Å; E159-E163 PolarHBondContact O-N 3.46Å
160A98.6Very high96.9Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-63.7-43178.200000112.8L82 I85 L98 L110 T156 L157 R158 A162 E163 C164L82-A160 HydrophobicContact CD2-CB 4.4Å; I85-A160 HydrophobicContact CD1-CB 3.91Å; L98-A160 HydrophobicContact CD1-CB 4.19Å; L110-A160 HydrophobicContact CD1-CB 3.49Å; L110-A160 VanDerWaalsContact CD1-CB 3.49Å; L110-A160 HydrophobicContact CD2-CB 4.32Å; L110-A160 HydrophobicContact CG-CB 4.02Å; T156-A160 PolarHBondContact O-N 2.8Å; T156-A160 VanDerWaalsContact O-N 3.11Å; L157-A160 PolarHBondContact O-N 3.4Å; R158-A160 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 3.3Å; A160-E163 PolarHBondContact O-N 3.37Å; A160-C164 PolarHBondContact O-N 3.22Å; A160-C164 PolarHBondContact O-SG 3.37Å
161V98.8Very high97.6Very high1 Ų142.2 Ų42.21%0.00621%0.211CC..Hα-helixtrans-58.7-48.4174.9166.40000111L157 R158 E163 C164 L165 I171 F173 F193 L196L157-V161 HydrophobicContact CD1-CG2 4.22Å; L157-V161 VanDerWaalsContact O-CG2 3.32Å; L157-V161 WeakPolarHBondContact O-CG2 3.33Å; L157-V161 PolarHBondContact O-N 3.5Å; R158-V161 PolarHBondContact O-N 2.51Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 3.47Å; V161-C164 PolarHBondContact O-N 2.88Å; V161-L165 HydrophobicContact CG1-CD1 3.97Å; V161-L165 HydrophobicContact CG1-CG 4.42Å; V161-L165 VanDerWaalsContact O-CG 3.31Å; V161-L165 WeakPolarHBondContact O-CG 3.22Å; V161-L165 PolarHBondContact O-N 3.07Å; V161-I171 HydrophobicContact CG2-CD1 4.22Å; V161-F173 HydrophobicContact CG2-CE1 3.78Å; V161-F173 HydrophobicContact CG2-CZ 3.69Å; V161-F193 HydrophobicContact CG1-CB 4.23Å; V161-F193 HydrophobicContact CG1-CD1 4.38Å; V161-F193 HydrophobicContact CG1-CD2 3.58Å; V161-F193 HydrophobicContact CG1-CE2 3.98Å; V161-F193 HydrophobicContact CG1-CG 3.81Å; V161-L196 HydrophobicContact CG1-CD1 4.14Å; V161-L196 HydrophobicContact CG1-CD2 4.1Å; V161-L196 HydrophobicContact CG1-CG 4.42Å
162A98.7Very high98Very high31 Ų3135.9 Ų35.926%0.25618%0.178SC..Hα-helixtrans-60.6-43.3178.900000111.8R158 E159 A160 L165 N166R158-A162 PolarHBondContact O-N 2.84Å; E159-A162 PolarHBondContact O-N 3.26Å; A160-A162 PolarHBondContact O-N 3.3Å; A162-L165 PolarHBondContact O-N 2.73Å; A162-N166 PolarHBondContact O-N 3.39Å; A162-N166 PolarHBondContact O-ND2 3.15Å
163E98.6Very high98.2Very high23 Ų2334.7 Ų34.711%0.10717%0.172CC..Hα-helixtrans-63.1-45.7177.3-168.472.1-142.500111.6L82 I85 R86 E159 A160 V161 L165 N166 H167L82-E163 HydrophobicContact CD2-CB 4Å; L82-E163 HydrophobicContact CD2-CG 4.35Å; I85-E163 HydrophobicContact CB-CG 4.16Å; I85-E163 HydrophobicContact CD1-CB 4.45Å; I85-E163 HydrophobicContact CG2-CB 4.25Å; I85-E163 HydrophobicContact CG2-CG 3.75Å; R86-E163 HydrophobicContact CG-CG 4.32Å; R86-E163 WeakPolarHBondContact CG-OE1 3.15Å; R86-E163 IonicContact CZ-OE1 2.7Å; R86-E163 IonicContact CZ-OE2 3.52Å; R86-E163 VanDerWaalsContact NE-CD 3.29Å; R86-E163 IonicContact NE-OE1 2.67Å; R86-E163 PolarHBondContact NE-OE1 3.21Å; R86-E163 IonicContact NE-OE2 2.75Å; R86-E163 PolarHBondContact NE-OE2 3.07Å; R86-E163 IonicContact NH2-OE1 3.36Å; R86-E163 IonicContact NH2-OE2 3.44Å; R86-E163 PolarHBondContact NH2-OE2 2.87Å; E159-E163 PolarHBondContact O-N 3.46Å; A160-E163 PolarHBondContact O-N 3.37Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 3.47Å; E163-L165 PolarHBondContact O-N 3.02Å; E163-N166 WeakPolarHBondContact O-CB 3.34Å; E163-N166 PolarHBondContact O-N 3.29Å; E163-H167 PolarHBondContact O-CD2 3.17Å; E163-H167 PolarHBondContact O-N 3.21Å; E163-H167 IonicContact OE1-CD2 3.25Å; E163-H167 PolarHBondContact OE1-CD2 2.98Å; E163-H167 IonicContact OE1-NE2 3.82Å; E163-H167 PolarHBondContact OE1-NE2 3.37Å
164C98.6Very high98.2Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-60.8-43.3178.3-66.90000112.5V96 A160 V161 N166 H167 N168 L169 I171V96-C164 WeakPolarHBondContact CG2-SG 3.03Å; A160-C164 PolarHBondContact O-N 3.22Å; A160-C164 PolarHBondContact O-SG 3.37Å; V161-C164 PolarHBondContact O-N 2.88Å; C164-N166 VanDerWaalsContact C-N 3.34Å; C164-N166 PolarHBondContact O-N 2.96Å; C164-H167 CarbonylContact O-C 3.55Å; C164-H167 PolarHBondContact O-N 3.32Å; C164-N168 PolarHBondContact O-N 3.39Å; C164-N168 VanDerWaalsContact O-N 3.13Å; C164-L169 HydrophobicContact CB-CB 4.38Å; C164-L169 PolarHBondContact O-N 3.42Å; C164-I171 HydrophobicContact CB-CD1 3.43Å; C164-I171 VanDerWaalsContact CB-CD1 3.43Å; C164-I171 HydrophobicContact CB-CG1 3.53Å
165L97.9Very high98.2Very high30 Ų3031.2 Ų31.216%0.15716%0.157CC..Hα-helixtrans-65.4-37.2178.3-67.7178.1000111.8V161 A162 E163 H167 N168 F193 Q195V161-L165 HydrophobicContact CG1-CD1 3.97Å; V161-L165 HydrophobicContact CG1-CG 4.42Å; V161-L165 VanDerWaalsContact O-CG 3.31Å; V161-L165 WeakPolarHBondContact O-CG 3.22Å; V161-L165 PolarHBondContact O-N 3.07Å; A162-L165 PolarHBondContact O-N 2.73Å; E163-L165 PolarHBondContact O-N 3.02Å; L165-H167 PolarHBondContact O-N 2.91Å; L165-N168 PolarHBondContact O-N 3.45Å; L165-N168 VanDerWaalsContact O-N 3.14Å; L165-F193 HydrophobicContact CD1-CB 3.89Å; L165-F193 HydrophobicContact CD1-CD1 3.67Å; L165-F193 HydrophobicContact CD1-CG 3.98Å; L165-Q195 HydrophobicContact CD2-CB 4.21Å
166N98.1Very high97.7Very high122 Ų12233.7 Ų33.765%0.65217%0.168SC*.Hα-helixtrans-61.3-32175.7-72.9-17.5000112.6A162 E163 C164A162-N166 PolarHBondContact O-N 3.39Å; A162-N166 PolarHBondContact O-ND2 3.15Å; E163-N166 WeakPolarHBondContact O-CB 3.34Å; E163-N166 PolarHBondContact O-N 3.29Å; C164-N166 VanDerWaalsContact C-N 3.34Å; C164-N166 PolarHBondContact O-N 2.96Å
167H97.6Very high97.2Very high76 Ų7633.2 Ų33.235%0.35217%0.167SC..THydrogen-bonded Turntrans-95.44.3177.7-65.8-69.8000114A89 E163 C164 L165 L169A89-H167 HydrophobicContact CB-CB 3.66Å; E163-H167 PolarHBondContact O-CD2 3.17Å; E163-H167 PolarHBondContact O-N 3.21Å; E163-H167 IonicContact OE1-CD2 3.25Å; E163-H167 PolarHBondContact OE1-CD2 2.98Å; E163-H167 IonicContact OE1-NE2 3.82Å; E163-H167 PolarHBondContact OE1-NE2 3.37Å; C164-H167 CarbonylContact O-C 3.55Å; C164-H167 PolarHBondContact O-N 3.32Å; L165-H167 PolarHBondContact O-N 2.91Å; H167-L169 HydrophobicContact CB-CD1 4.02Å; H167-L169 HydrophobicContact CB-CG 4Å; H167-L169 PolarHBondContact O-N 3.3Å
168N96.1Very high97Very high137 Ų13738.1 Ų38.173%0.73319%0.19SC*.THydrogen-bonded Turntrans5535.4-174.7-55.7-67.9000113.8C164 L165C164-N168 PolarHBondContact O-N 3.39Å; C164-N168 VanDerWaalsContact O-N 3.13Å; L165-N168 PolarHBondContact O-N 3.45Å; L165-N168 VanDerWaalsContact O-N 3.14Å
169L97.3Very high96.7Very high3 Ų332.3 Ų32.32%0.01617%0.17CC..PPolyproline II helixtrans-86.3135.1176.7-69.3169.7000110.5I85 A89 A93 V96 C164 H167 N199I85-L169 HydrophobicContact CG2-CD1 3.77Å; A89-L169 HydrophobicContact CB-CD1 3.99Å; A89-L169 HydrophobicContact CB-CD2 4.41Å; A89-L169 HydrophobicContact CB-CG 4.35Å; A93-L169 HydrophobicContact CB-CD2 4.46Å; A93-L169 WeakPolarHBondContact O-CD2 3.46Å; V96-L169 HydrophobicContact CG1-CD1 3.82Å; V96-L169 HydrophobicContact CG2-CD1 4.48Å; C164-L169 HydrophobicContact CB-CB 4.38Å; C164-L169 PolarHBondContact O-N 3.42Å; H167-L169 HydrophobicContact CB-CD1 4.02Å; H167-L169 HydrophobicContact CB-CG 4Å; H167-L169 PolarHBondContact O-N 3.3Å; L169-N199 PolarHBondContact O-ND2 2.93Å
170T97.9Very high96.6Very high8 Ų833.5 Ų33.55%0.04918%0.178CC..EExtended strand (participates in β ladder)trans-72.4132.7167.6-62.80000110.7V58 T94 G95 V96 F172 N199V58-T170 HydrophobicContact CG1-CG2 3.61Å; T94-T170 PolarHBondContact O-N 2.87Å; T94-T170 VanDerWaalsContact O-N 3.11Å; G95-T170 CarbonylContact C-O 3.59Å; G95-T170 WeakPolarHBondContact CA-O 3.3Å; V96-T170 PolarHBondContact N-O 3.24Å; T170-F172 HydrophobicContact CG2-CD2 4.35Å; T170-F172 HydrophobicContact CG2-CE2 3.86Å; T170-N199 WeakPolarHBondContact CA-O 3.49Å; T170-N199 WeakPolarHBondContact CA-OD1 3.42Å; T170-N199 PolarHBondContact N-OD1 3.36Å; T170-N199 PolarHBondContact OG1-OD1 3.25Å
171I98.6Very high96.5Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-101.3126.1-174.7-43.7176.9000110.8V96 L98 V161 C164 F173 L196 N199 S200 V201V96-I171 CarbonylContact O-C 3.52Å; L98-I171 HydrophobicContact CD1-CG2 3.89Å; L98-I171 HydrophobicContact CG-CG2 4.49Å; V161-I171 HydrophobicContact CG2-CD1 4.22Å; C164-I171 HydrophobicContact CB-CD1 3.43Å; C164-I171 VanDerWaalsContact CB-CD1 3.43Å; C164-I171 HydrophobicContact CB-CG1 3.53Å; I171-F173 HydrophobicContact CB-CE1 4.3Å; I171-F173 HydrophobicContact CB-CE2 4.32Å; I171-F173 HydrophobicContact CB-CZ 4.09Å; I171-F173 HydrophobicContact CD1-CE1 4.37Å; I171-F173 HydrophobicContact CD1-CZ 3.98Å; I171-F173 HydrophobicContact CG2-CD1 3.68Å; I171-F173 HydrophobicContact CG2-CD2 4.42Å; I171-F173 HydrophobicContact CG2-CE1 3.44Å; I171-F173 VanDerWaalsContact CG2-CE1 3.44Å; I171-F173 HydrophobicContact CG2-CE2 4.21Å; I171-F173 HydrophobicContact CG2-CG 4.19Å; I171-F173 HydrophobicContact CG2-CZ 3.73Å; I171-L196 HydrophobicContact CD1-CD2 3.79Å; I171-N199 PolarHBondContact N-O 3.26Å; I171-S200 CarbonylContact O-C 3.52Å; I171-S200 WeakPolarHBondContact O-CA 3.34Å; I171-S200 VanDerWaalsContact O-CB 3.24Å; I171-S200 WeakPolarHBondContact O-CB 3.36Å; I171-V201 PolarHBondContact O-N 2.92Å
172F98.7Very high96.4Very high2 Ų238.4 Ų38.41%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-102.7103168.2-71-110.4000107.5L59 I68 V96 E97 L98 T170 D174 V201 L275L59-F172 HydrophobicContact CD2-CE1 3.73Å; L59-F172 HydrophobicContact CD2-CZ 3.53Å; I68-F172 HydrophobicContact CD1-CD2 4.21Å; I68-F172 HydrophobicContact CD1-CE1 4.01Å; I68-F172 HydrophobicContact CD1-CE2 3.51Å; I68-F172 HydrophobicContact CD1-CZ 3.38Å; I68-F172 HydrophobicContact CG1-CD2 4.25Å; I68-F172 HydrophobicContact CG1-CE2 3.72Å; I68-F172 HydrophobicContact CG1-CZ 4.13Å; I68-F172 HydrophobicContact CG2-CD2 3.87Å; I68-F172 HydrophobicContact CG2-CE2 4.22Å; I68-F172 HydrophobicContact CG2-CG 4.39Å; V96-F172 PolarHBondContact O-N 3.37Å; E97-F172 CarbonylContact C-O 3.6Å; E97-F172 VanDerWaalsContact CA-O 3.31Å; E97-F172 WeakPolarHBondContact CA-O 3.36Å; E97-F172 HydrophobicContact CB-CB 3.91Å; E97-F172 HydrophobicContact CG-CB 4.09Å; L98-F172 PolarHBondContact N-O 2.98Å; T170-F172 HydrophobicContact CG2-CD2 4.35Å; T170-F172 HydrophobicContact CG2-CE2 3.86Å; F172-D174 PolarHBondContact O-N 2.99Å; F172-V201 CarbonylContact C-O 3.41Å; F172-V201 WeakPolarHBondContact CA-O 3.47Å; F172-V201 HydrophobicContact CD1-CB 3.93Å; F172-V201 HydrophobicContact CD1-CG1 4.24Å; F172-V201 HydrophobicContact CD1-CG2 4.3Å; F172-V201 HydrophobicContact CE1-CB 4.1Å; F172-V201 HydrophobicContact CE1-CG1 4.35Å; F172-V201 HydrophobicContact CE1-CG2 3.99Å; F172-V201 HydrophobicContact CG-CB 4.36Å; F172-V201 HydrophobicContact CZ-CG2 4.16Å; F172-L275 HydrophobicContact CD1-CD1 4.41Å; F172-L275 HydrophobicContact CD1-CD2 4.35Å; F172-L275 HydrophobicContact CE1-CD1 4.39Å
173F98.6Very high96.3Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-81.1104176.7-61.6-65.1000109.1I100 L157 V161 I171 L186 Y190 L196 V201 V202 C203I100-F173 HydrophobicContact CD1-CB 3.8Å; I100-F173 HydrophobicContact CD1-CD1 3.72Å; I100-F173 HydrophobicContact CD1-CG 4.03Å; I100-F173 HydrophobicContact CG1-CD1 4.42Å; L157-F173 HydrophobicContact CD1-CD1 3.97Å; L157-F173 HydrophobicContact CD1-CE1 3.66Å; V161-F173 HydrophobicContact CG2-CE1 3.78Å; V161-F173 HydrophobicContact CG2-CZ 3.69Å; I171-F173 HydrophobicContact CB-CE1 4.3Å; I171-F173 HydrophobicContact CB-CE2 4.32Å; I171-F173 HydrophobicContact CB-CZ 4.09Å; I171-F173 HydrophobicContact CD1-CE1 4.37Å; I171-F173 HydrophobicContact CD1-CZ 3.98Å; I171-F173 HydrophobicContact CG2-CD1 3.68Å; I171-F173 HydrophobicContact CG2-CD2 4.42Å; I171-F173 HydrophobicContact CG2-CE1 3.44Å; I171-F173 VanDerWaalsContact CG2-CE1 3.44Å; I171-F173 HydrophobicContact CG2-CE2 4.21Å; I171-F173 HydrophobicContact CG2-CG 4.19Å; I171-F173 HydrophobicContact CG2-CZ 3.73Å; F173-L186 HydrophobicContact CB-CD2 4.29Å; F173-L186 HydrophobicContact CD1-CD2 4.16Å; F173-L186 HydrophobicContact CD2-CD2 3.79Å; F173-L186 HydrophobicContact CE1-CD2 4.4Å; F173-L186 HydrophobicContact CE2-CD2 4.05Å; F173-L186 HydrophobicContact CG-CD2 3.83Å; F173-L186 HydrophobicContact CZ-CD2 4.34Å; F173-Y190 HydrophobicContact CE2-CE2 4.48Å; F173-L196 HydrophobicContact CE2-CD2 4.25Å; F173-L196 HydrophobicContact CZ-CD1 4.48Å; F173-L196 HydrophobicContact CZ-CD2 4.09Å; F173-V201 PolarHBondContact N-O 3.26Å; F173-V202 HydrophobicContact CD2-CG2 4.12Å; F173-C203 PolarHBondContact O-N 2.93Å; F173-C203 VanDerWaalsContact O-O 3.07Å; F173-C203 PolarHBondContact O-SG 3.46Å; F173-C203 VanDerWaalsContact O-SG 3.34Å
174D98Very high96.2Very high9 Ų941.4 Ų41.45%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-85.6114.5171.1-167.215.9000110.2E97 L98 D99 I100 F172 K176E97-D174 HydrophobicContact CG-CB 4.44Å; E97-D174 WeakPolarHBondContact OE1-CB 3.24Å; L98-D174 PolarHBondContact O-N 2.72Å; D99-D174 WeakPolarHBondContact CA-O 3.4Å; I100-D174 PolarHBondContact N-O 3.15Å; F172-D174 PolarHBondContact O-N 2.99Å; D174-K176 IonicContact OD2-NZ 3.52Å; D174-K176 PolarHBondContact OD2-NZ 2.84Å
175V96.8Very high96.2Very high0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-102.4111.9-177.8177.70000108.7I100 G177 A182 L186 V202 C203 S204 V209I100-V175 HydrophobicContact CD1-CG2 4.24Å; V175-G177 WeakPolarHBondContact CG1-O 3.47Å; V175-A182 HydrophobicContact CG1-CB 3.41Å; V175-A182 VanDerWaalsContact CG1-CB 3.41Å; V175-A182 HydrophobicContact CG2-CB 4.44Å; V175-L186 HydrophobicContact CG2-CD1 3.95Å; V175-V202 HydrophobicContact CG2-CG1 4.19Å; V175-C203 PolarHBondContact N-O 3.4Å; V175-S204 VanDerWaalsContact O-CB 3.31Å; V175-S204 WeakPolarHBondContact O-CB 3.46Å; V175-S204 PolarHBondContact O-OG 3.08Å; V175-V209 HydrophobicContact CB-CG1 3.74Å; V175-V209 HydrophobicContact CG1-CB 4.49Å; V175-V209 HydrophobicContact CG1-CG1 3.5Å; V175-V209 HydrophobicContact CG1-CG2 4.18Å; V175-V209 HydrophobicContact CG2-CG1 4.39Å
176K87.4Confident96.2Very high54 Ų5440.7 Ų40.724%0.23521%0.206CC..  trans-78-19.2-176.7-57.9-59.2-171.4-164.20114.2D99 H112 D174 L206D99-K176 WeakPolarHBondContact OD1-CE 3.13Å; D99-K176 IonicContact OD1-NZ 3.47Å; D99-K176 PolarHBondContact OD1-NZ 3.23Å; H112-K176 WeakPolarHBondContact CD2-CE 3.5Å; H112-K176 PolarHBondContact CD2-NZ 2.97Å; H112-K176 PolarHBondContact NE2-NZ 2.86Å; D174-K176 IonicContact OD2-NZ 3.52Å; D174-K176 PolarHBondContact OD2-NZ 2.84Å; K176-L206 VanDerWaalsContact O-CD1 3.28Å; K176-L206 WeakPolarHBondContact O-CD1 3.32Å
177G89.9Confident96.2Very high12 Ų1238.6 Ų38.612%0.12419%0.192CC..SBendtrans-179.5-160.2-174.200000114.9V175 A179V175-G177 WeakPolarHBondContact CG1-O 3.47Å; G177-A179 PolarHBondContact O-N 2.79Å
178H92.6Very high96.2Very high103 Ų10341.5 Ų41.548%0.47720%0.203SC..  trans49.148172.1-58.3-67.1000114.7E101 F102 N180 K181 A182E101-H178 IonicContact OE1-CD2 2.79Å; E101-H178 PolarHBondContact OE1-CD2 3.41Å; E101-H178 IonicContact OE1-NE2 2.74Å; F102-H178 HydrophobicContact CD2-CB 4.31Å; F102-H178 HydrophobicContact CE2-CB 4.39Å; H178-N180 VanDerWaalsContact C-N 3.26Å; H178-N180 CarbonylContact O-C 3.58Å; H178-N180 PolarHBondContact O-N 2.94Å; H178-K181 HydrophobicContact CB-CB 4.17Å; H178-K181 HydrophobicContact CB-CD 4.47Å; H178-K181 PolarHBondContact O-N 3.06Å; H178-A182 PolarHBondContact O-N 2.69Å
179A93.9Very high96.3Very high9 Ų935.9 Ų35.97%0.07417%0.173CC..Hα-helixtrans-43-45.2-169.800000114.8G177 T183 E208 V209 K212G177-A179 PolarHBondContact O-N 2.79Å; A179-T183 VanDerWaalsContact O-CB 3.32Å; A179-T183 WeakPolarHBondContact O-CB 3.5Å; A179-T183 WeakPolarHBondContact O-CG2 3.39Å; A179-T183 PolarHBondContact O-N 2.91Å; A179-T183 PolarHBondContact O-OG1 3.34Å; A179-E208 HydrophobicContact CB-CG 4.28Å; A179-V209 HydrophobicContact CB-CB 4.48Å; A179-V209 HydrophobicContact CB-CG2 3.95Å; A179-K212 HydrophobicContact CB-CB 4.22Å; A179-K212 HydrophobicContact CB-CG 4.41Å
180N96.3Very high96.4Very high83 Ų8335.9 Ų35.944%0.44417%0.173SC..Hα-helixtrans-64.7-49.8177.5-63.8-45000112.4H178 A182 T183 E184 K212H178-N180 VanDerWaalsContact C-N 3.26Å; H178-N180 CarbonylContact O-C 3.58Å; H178-N180 PolarHBondContact O-N 2.94Å; N180-A182 PolarHBondContact O-N 2.76Å; N180-T183 PolarHBondContact O-N 2.92Å; N180-T183 PolarHBondContact O-OG1 2.95Å; N180-E184 WeakPolarHBondContact O-CB 3.48Å; N180-E184 VanDerWaalsContact O-CG 3.31Å; N180-E184 WeakPolarHBondContact O-CG 3.29Å; N180-E184 PolarHBondContact O-N 3.44Å; N180-K212 WeakPolarHBondContact OD1-CE 3.38Å; N180-K212 PolarHBondContact OD1-NZ 2.96Å
181K95.7Very high96.4Very high103 Ų10341.5 Ų41.545%0.44820%0.2SC..Hα-helixtrans-63-44.3178.7-65.9-174.3177.4-176.90111.6F102 H178 E184 A185F102-K181 HydrophobicContact CD1-CB 4.43Å; F102-K181 HydrophobicContact CE1-CB 4.09Å; F102-K181 HydrophobicContact CE2-CB 4.22Å; F102-K181 HydrophobicContact CZ-CB 4.01Å; H178-K181 HydrophobicContact CB-CB 4.17Å; H178-K181 HydrophobicContact CB-CD 4.47Å; H178-K181 PolarHBondContact O-N 3.06Å; K181-E184 PolarHBondContact O-N 2.85Å; K181-A185 WeakPolarHBondContact O-CB 3.42Å; K181-A185 PolarHBondContact O-N 3.23Å
182A96.5Very high96.4Very high1 Ų145.5 Ų45.51%0.00822%0.219CC..Hα-helixtrans-60.6-48.6178.600000112.3F102 V175 H178 N180 E184 A185 L186F102-A182 HydrophobicContact CE2-CB 4.2Å; F102-A182 HydrophobicContact CZ-CB 4.29Å; V175-A182 HydrophobicContact CG1-CB 3.41Å; V175-A182 VanDerWaalsContact CG1-CB 3.41Å; V175-A182 HydrophobicContact CG2-CB 4.44Å; H178-A182 PolarHBondContact O-N 2.69Å; N180-A182 PolarHBondContact O-N 2.76Å; A182-E184 PolarHBondContact O-N 3.25Å; A182-A185 PolarHBondContact O-N 2.84Å; A182-L186 WeakPolarHBondContact O-CB 3.47Å; A182-L186 WeakPolarHBondContact O-CG 3.39Å; A182-L186 PolarHBondContact O-N 2.76Å
183T96.3Very high96.4Very high2 Ų246.9 Ų46.91%0.01223%0.225CC..Hα-helixtrans-68.7-34.1-179.555.70000112.4A179 N180 K187 K212 M213A179-T183 VanDerWaalsContact O-CB 3.32Å; A179-T183 WeakPolarHBondContact O-CB 3.5Å; A179-T183 WeakPolarHBondContact O-CG2 3.39Å; A179-T183 PolarHBondContact O-N 2.91Å; A179-T183 PolarHBondContact O-OG1 3.34Å; N180-T183 PolarHBondContact O-N 2.92Å; N180-T183 PolarHBondContact O-OG1 2.95Å; T183-K187 WeakPolarHBondContact O-CB 3.48Å; T183-K187 PolarHBondContact O-N 2.91Å; T183-K212 HydrophobicContact CG2-CB 4.03Å; T183-K212 HydrophobicContact CG2-CG 3.83Å; T183-M213 HydrophobicContact CG2-CB 3.87Å; T183-M213 HydrophobicContact CG2-CG 4.47Å; T183-M213 HydrophobicContact CG2-SD 3.77Å
184E97.3Very high96.3Very high116 Ų11650.3 Ų50.354%0.54225%0.247SC..Hα-helixtrans-66.4-45.1172-75.2175.7-162.600112.5N180 K181 A182 K187 K188N180-E184 WeakPolarHBondContact O-CB 3.48Å; N180-E184 VanDerWaalsContact O-CG 3.31Å; N180-E184 WeakPolarHBondContact O-CG 3.29Å; N180-E184 PolarHBondContact O-N 3.44Å; K181-E184 PolarHBondContact O-N 2.85Å; A182-E184 PolarHBondContact O-N 3.25Å; E184-K187 PolarHBondContact O-N 3.04Å; E184-K188 WeakPolarHBondContact O-CG 3.28Å; E184-K188 PolarHBondContact O-N 2.85Å; E184-K188 VanDerWaalsContact O-N 3.1Å
185A98Very high96.3Very high13 Ų1355.3 Ų55.311%0.10727%0.27CS..Hα-helixtrans-62.4-48.6177.100000111.3F102 P108 L157 K181 A182 K188 M189F102-A185 HydrophobicContact CE1-CB 4.07Å; F102-A185 HydrophobicContact CZ-CB 4.16Å; P108-A185 HydrophobicContact CB-CB 4.25Å; P108-A185 HydrophobicContact CG-CB 4.19Å; L157-A185 HydrophobicContact CD2-CB 4.42Å; K181-A185 WeakPolarHBondContact O-CB 3.42Å; K181-A185 PolarHBondContact O-N 3.23Å; A182-A185 PolarHBondContact O-N 2.84Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 3.05Å; A185-M189 WeakPolarHBondContact O-CG 3.31Å; A185-M189 PolarHBondContact O-N 2.94Å; A185-M189 VanDerWaalsContact O-N 3.09Å
186L98.2Very high96.3Very high1 Ų155.3 Ų55.31%0.00527%0.27CS..Hα-helixtrans-62.6-44176.6-74.3169.4000111.4I100 L157 F173 V175 A182 K188 M189 Y190 V202 M213I100-L186 HydrophobicContact CD1-CD1 4.45Å; I100-L186 HydrophobicContact CD1-CD2 3.78Å; I100-L186 HydrophobicContact CD1-CG 4.26Å; L157-L186 HydrophobicContact CD2-CD2 4.3Å; F173-L186 HydrophobicContact CB-CD2 4.29Å; F173-L186 HydrophobicContact CD1-CD2 4.16Å; F173-L186 HydrophobicContact CD2-CD2 3.79Å; F173-L186 HydrophobicContact CE1-CD2 4.4Å; F173-L186 HydrophobicContact CE2-CD2 4.05Å; F173-L186 HydrophobicContact CG-CD2 3.83Å; F173-L186 HydrophobicContact CZ-CD2 4.34Å; V175-L186 HydrophobicContact CG2-CD1 3.95Å; A182-L186 WeakPolarHBondContact O-CB 3.47Å; A182-L186 WeakPolarHBondContact O-CG 3.39Å; A182-L186 PolarHBondContact O-N 2.76Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 3.45Å; L186-M189 CarbonylContact O-C 3.56Å; L186-M189 WeakPolarHBondContact O-CA 3.49Å; L186-M189 WeakPolarHBondContact O-CB 3.06Å; L186-M189 PolarHBondContact O-N 3.17Å; L186-Y190 VanDerWaalsContact O-CD2 3.31Å; L186-Y190 WeakPolarHBondContact O-CD2 3.38Å; L186-Y190 PolarHBondContact O-N 3.03Å; L186-V202 HydrophobicContact CD1-CG1 3.86Å; L186-V202 HydrophobicContact CD1-CG2 3.92Å; L186-M213 HydrophobicContact CB-CE 4.42Å; L186-M213 HydrophobicContact CB-SD 4.24Å; L186-M213 HydrophobicContact CD1-SD 4.32Å
187K98Very high96.8Very high79 Ų7955.2 Ų55.234%0.34327%0.269SS..Hα-helixtrans-55.3-42.5176-171.2-174.9-160.5170.40111.8T183 E184 M189 Y190 M191 T216T183-K187 WeakPolarHBondContact O-CB 3.48Å; T183-K187 PolarHBondContact O-N 2.91Å; E184-K187 PolarHBondContact O-N 3.04Å; K187-M189 VanDerWaalsContact C-N 3.34Å; K187-Y190 PolarHBondContact O-N 3.22Å; K187-M191 HydrophobicContact CD-CE 4Å; K187-M191 HydrophobicContact CG-CE 3.93Å; K187-M191 HydrophobicContact CG-SD 4.43Å; K187-M191 VanDerWaalsContact O-CG 3.31Å; K187-M191 WeakPolarHBondContact O-CG 3.43Å; K187-M191 PolarHBondContact O-N 3.08Å; K187-T216 HydrophobicContact CB-CG2 4.08Å; K187-T216 HydrophobicContact CD-CG2 3.6Å; K187-T216 HydrophobicContact CG-CG2 4.08Å
188K98.3Very high97.1Very high136 Ų13659 Ų5959%0.59129%0.286SS*.Hα-helixtrans-61.1-42.5174.3-69.8170.4-177.3174.50111.5E184 A185 L186 M191 E192E184-K188 WeakPolarHBondContact O-CG 3.28Å; E184-K188 PolarHBondContact O-N 2.85Å; E184-K188 VanDerWaalsContact O-N 3.1Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 3.05Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 3.45Å; K188-M191 PolarHBondContact O-N 3.37Å; K188-E192 WeakPolarHBondContact O-CB 3.4Å; K188-E192 PolarHBondContact O-N 2.98Å
189M98.5Very high97.2Very high19 Ų1955.4 Ų55.49%0.09427%0.27CS..Hα-helixtrans-63.3-42.5175.6-61.8-60.59000112.4L157 R158 A185 L186 K187 M191 E192 F193 L196L157-M189 HydrophobicContact CD2-CG 3.75Å; L157-M189 HydrophobicContact CG-CG 3.97Å; L157-M189 HydrophobicContact CG-SD 4.3Å; R158-M189 HydrophobicContact CB-CE 4.21Å; R158-M189 HydrophobicContact CB-SD 3.85Å; R158-M189 HydrophobicContact CG-CE 4.35Å; R158-M189 HydrophobicContact CG-SD 4.21Å; A185-M189 WeakPolarHBondContact O-CG 3.31Å; A185-M189 PolarHBondContact O-N 2.94Å; A185-M189 VanDerWaalsContact O-N 3.09Å; L186-M189 CarbonylContact O-C 3.56Å; L186-M189 WeakPolarHBondContact O-CA 3.49Å; L186-M189 WeakPolarHBondContact O-CB 3.06Å; L186-M189 PolarHBondContact O-N 3.17Å; K187-M189 VanDerWaalsContact C-N 3.34Å; M189-M191 VanDerWaalsContact C-N 3.31Å; M189-M191 PolarHBondContact O-N 2.93Å; M189-E192 PolarHBondContact O-N 3.23Å; M189-F193 WeakPolarHBondContact O-CA 3.22Å; M189-F193 WeakPolarHBondContact O-CB 3.42Å; M189-F193 PolarHBondContact O-N 3.49Å; M189-F193 HydrophobicContact SD-CE2 4.41Å; M189-L196 HydrophobicContact CB-CD1 3.93Å
190Y98.3Very high97.4Very high3 Ų355 Ų551%0.01227%0.266CS..Hα-helixtrans-67.4-29.8176.2-84.5-95.2000113.1F173 L186 K187 F193 P194 L196 Y197 S200 V202 V220F173-Y190 HydrophobicContact CE2-CE2 4.48Å; L186-Y190 VanDerWaalsContact O-CD2 3.31Å; L186-Y190 WeakPolarHBondContact O-CD2 3.38Å; L186-Y190 PolarHBondContact O-N 3.03Å; K187-Y190 PolarHBondContact O-N 3.22Å; Y190-F193 CarbonylContact O-C 3.57Å; Y190-P194 WeakPolarHBondContact O-CA 3.24Å; Y190-L196 HydrophobicContact CD1-CB 3.66Å; Y190-L196 HydrophobicContact CD2-CB 4.47Å; Y190-L196 HydrophobicContact CD2-CD1 4.23Å; Y190-L196 HydrophobicContact CE1-CB 3.57Å; Y190-L196 HydrophobicContact CE2-CB 4.39Å; Y190-L196 HydrophobicContact CE2-CD1 4.47Å; Y190-L196 HydrophobicContact CG-CB 4.15Å; Y190-L196 HydrophobicContact CG-CD1 4.34Å; Y190-Y197 AromaticContact CD1-CD1 3.65Å; Y190-Y197 HydrophobicContact CD1-CD1 3.65Å; Y190-Y197 HydrophobicContact CD1-CD2 4.02Å; Y190-Y197 AromaticContact CD1-CE1 3.54Å; Y190-Y197 HydrophobicContact CD1-CE1 3.54Å; Y190-Y197 AromaticContact CD1-CE2 3.89Å; Y190-Y197 HydrophobicContact CD1-CE2 3.89Å; Y190-Y197 AromaticContact CD1-CG 3.88Å; Y190-Y197 HydrophobicContact CD1-CG 3.88Å; Y190-Y197 AromaticContact CD1-CZ 3.65Å; Y190-Y197 AromaticContact CE1-CD1 3.76Å; Y190-Y197 HydrophobicContact CE1-CD1 3.76Å; Y190-Y197 HydrophobicContact CE1-CE1 4.02Å; Y190-Y197 HydrophobicContact CE1-CG 4.1Å; Y190-Y197 HydrophobicContact CG-CE1 4.41Å; Y190-S200 PolarHBondContact OH-OG 2.84Å; Y190-V202 HydrophobicContact CE2-CG2 4.39Å; Y190-V220 HydrophobicContact CD1-CG2 4.02Å; Y190-V220 HydrophobicContact CD2-CG2 4.4Å; Y190-V220 HydrophobicContact CE1-CG2 3.68Å; Y190-V220 HydrophobicContact CE2-CG1 4.35Å; Y190-V220 HydrophobicContact CE2-CG2 4.12Å; Y190-V220 HydrophobicContact CG-CG2 4.35Å; Y190-V220 WeakPolarHBondContact OH-CG1 3.13Å
191M98.2Very high97.5Very high127 Ų12751 Ų5163%0.62625%0.245SC*.Hα-helixtrans-71.4-40.8172.3-73.5175.417300112K187 K188 M189K187-M191 HydrophobicContact CD-CE 4Å; K187-M191 HydrophobicContact CG-CE 3.93Å; K187-M191 HydrophobicContact CG-SD 4.43Å; K187-M191 VanDerWaalsContact O-CG 3.31Å; K187-M191 WeakPolarHBondContact O-CG 3.43Å; K187-M191 PolarHBondContact O-N 3.08Å; K188-M191 PolarHBondContact O-N 3.37Å; M189-M191 VanDerWaalsContact C-N 3.31Å; M189-M191 PolarHBondContact O-N 2.93Å
192E98.4Very high97.7Very high84 Ų8446.1 Ų46.139%0.39322%0.224SC..Hα-helixtrans-75.6-38179.6-172.4175.1-178.500112.4R158 K188 M189 P194R158-E192 IonicContact CZ-OE1 2.81Å; R158-E192 VanDerWaalsContact NE-CD 3.34Å; R158-E192 IonicContact NE-OE1 3.55Å; R158-E192 PolarHBondContact NE-OE1 3.47Å; R158-E192 IonicContact NE-OE2 3.72Å; R158-E192 PolarHBondContact NE-OE2 2.52Å; R158-E192 IonicContact NH2-OE1 3.71Å; R158-E192 PolarHBondContact NH2-OE1 2.78Å; K188-E192 WeakPolarHBondContact O-CB 3.4Å; K188-E192 PolarHBondContact O-N 2.98Å; M189-E192 PolarHBondContact O-N 3.23Å; E192-P194 WeakPolarHBondContact O-CD 3.36Å
193F98.4Very high97.7Very high31 Ų3146 Ų4614%0.13622%0.224CC..  trans-12477-178.6-54.3-82.1000111.2R158 V161 L165 M189 Y190 Q195 L196R158-F193 HydrophobicContact CG-CE2 4.12Å; R158-F193 HydrophobicContact CG-CZ 4.37Å; V161-F193 HydrophobicContact CG1-CB 4.23Å; V161-F193 HydrophobicContact CG1-CD1 4.38Å; V161-F193 HydrophobicContact CG1-CD2 3.58Å; V161-F193 HydrophobicContact CG1-CE2 3.98Å; V161-F193 HydrophobicContact CG1-CG 3.81Å; L165-F193 HydrophobicContact CD1-CB 3.89Å; L165-F193 HydrophobicContact CD1-CD1 3.67Å; L165-F193 HydrophobicContact CD1-CG 3.98Å; M189-F193 WeakPolarHBondContact O-CA 3.22Å; M189-F193 WeakPolarHBondContact O-CB 3.42Å; M189-F193 PolarHBondContact O-N 3.49Å; M189-F193 HydrophobicContact SD-CE2 4.41Å; Y190-F193 CarbonylContact O-C 3.57Å; F193-Q195 PolarHBondContact O-N 3.28Å; F193-L196 HydrophobicContact CB-CD1 4.02Å; F193-L196 HydrophobicContact CB-CG 4.02Å; F193-L196 VanDerWaalsContact O-CB 3.31Å; F193-L196 WeakPolarHBondContact O-CB 3.1Å; F193-L196 VanDerWaalsContact O-CG 3.29Å; F193-L196 WeakPolarHBondContact O-CG 3.44Å; F193-L196 PolarHBondContact O-N 3.47Å
194P97.9Very high97.8Very high72 Ų7246 Ų4647%0.46822%0.223SC..G310 helixtrans-58.9-17.3179.4-25.535.3000114.6Y190 E192 L196 Y197Y190-P194 WeakPolarHBondContact O-CA 3.24Å; E192-P194 WeakPolarHBondContact O-CD 3.36Å; P194-L196 PolarHBondContact O-N 3.29Å; P194-L196 VanDerWaalsContact O-N 3.17Å; P194-Y197 VanDerWaalsContact O-CD2 3.25Å; P194-Y197 WeakPolarHBondContact O-CD2 3.32Å; P194-Y197 PolarHBondContact O-N 2.79Å
195Q96.9Very high97.7Very high113 Ų11344 Ų4453%0.52821%0.213SC..G310 helixtrans-57.4-25.8172.6-6085.9-1500112.3L165 F193 Y197 N198 N199L165-Q195 HydrophobicContact CD2-CB 4.21Å; F193-Q195 PolarHBondContact O-N 3.28Å; Q195-Y197 PolarHBondContact O-N 3.4Å; Q195-N198 PolarHBondContact O-N 3.22Å; Q195-N199 PolarHBondContact O-N 3.19Å
196L97.9Very high97.6Very high0 Ų047.1 Ų47.10%023%0.227CC..G310 helixtrans-57.9-29.7179.8-71.4176.9000113.4V161 I171 F173 M189 Y190 F193 P194 N198 N199 S200V161-L196 HydrophobicContact CG1-CD1 4.14Å; V161-L196 HydrophobicContact CG1-CD2 4.1Å; V161-L196 HydrophobicContact CG1-CG 4.42Å; I171-L196 HydrophobicContact CD1-CD2 3.79Å; F173-L196 HydrophobicContact CE2-CD2 4.25Å; F173-L196 HydrophobicContact CZ-CD1 4.48Å; F173-L196 HydrophobicContact CZ-CD2 4.09Å; M189-L196 HydrophobicContact CB-CD1 3.93Å; Y190-L196 HydrophobicContact CD1-CB 3.66Å; Y190-L196 HydrophobicContact CD2-CB 4.47Å; Y190-L196 HydrophobicContact CD2-CD1 4.23Å; Y190-L196 HydrophobicContact CE1-CB 3.57Å; Y190-L196 HydrophobicContact CE2-CB 4.39Å; Y190-L196 HydrophobicContact CE2-CD1 4.47Å; Y190-L196 HydrophobicContact CG-CB 4.15Å; Y190-L196 HydrophobicContact CG-CD1 4.34Å; F193-L196 HydrophobicContact CB-CD1 4.02Å; F193-L196 HydrophobicContact CB-CG 4.02Å; F193-L196 VanDerWaalsContact O-CB 3.31Å; F193-L196 WeakPolarHBondContact O-CB 3.1Å; F193-L196 VanDerWaalsContact O-CG 3.29Å; F193-L196 WeakPolarHBondContact O-CG 3.44Å; F193-L196 PolarHBondContact O-N 3.47Å; P194-L196 PolarHBondContact O-N 3.29Å; P194-L196 VanDerWaalsContact O-N 3.17Å; L196-N198 PolarHBondContact O-N 3.26Å; L196-N198 VanDerWaalsContact O-N 3.09Å; L196-N199 PolarHBondContact O-N 3.16Å; L196-N199 VanDerWaalsContact O-N 3.15Å; L196-S200 PolarHBondContact O-N 3.13Å; L196-S200 PolarHBondContact O-OG 2.88Å
197Y97.1Very high97.5Very high53 Ų5348.5 Ų48.521%0.20824%0.236CC..G310 helixtrans-60.9-21.8176-68.8-71000113.7Y190 P194 Q195 D217 N219 V220Y190-Y197 AromaticContact CD1-CD1 3.65Å; Y190-Y197 HydrophobicContact CD1-CD1 3.65Å; Y190-Y197 HydrophobicContact CD1-CD2 4.02Å; Y190-Y197 AromaticContact CD1-CE1 3.54Å; Y190-Y197 HydrophobicContact CD1-CE1 3.54Å; Y190-Y197 AromaticContact CD1-CE2 3.89Å; Y190-Y197 HydrophobicContact CD1-CE2 3.89Å; Y190-Y197 AromaticContact CD1-CG 3.88Å; Y190-Y197 HydrophobicContact CD1-CG 3.88Å; Y190-Y197 AromaticContact CD1-CZ 3.65Å; Y190-Y197 AromaticContact CE1-CD1 3.76Å; Y190-Y197 HydrophobicContact CE1-CD1 3.76Å; Y190-Y197 HydrophobicContact CE1-CE1 4.02Å; Y190-Y197 HydrophobicContact CE1-CG 4.1Å; Y190-Y197 HydrophobicContact CG-CE1 4.41Å; P194-Y197 VanDerWaalsContact O-CD2 3.25Å; P194-Y197 WeakPolarHBondContact O-CD2 3.32Å; P194-Y197 PolarHBondContact O-N 2.79Å; Q195-Y197 PolarHBondContact O-N 3.4Å; Y197-D217 PolarHBondContact OH-OD2 2.85Å; Y197-N219 HydrophobicContact CD1-CB 3.82Å; Y197-N219 HydrophobicContact CE1-CB 3.75Å; Y197-V220 HydrophobicContact CD1-CG2 4.26Å; Y197-V220 HydrophobicContact CE1-CG2 3.86Å
198N95.9Very high97.4Very high90 Ų9051.2 Ų51.248%0.48125%0.25SS..G310 helixtrans-118.69.6179.9-57.7-44.2000112.4V58 Q195 L196V58-N198 VanDerWaalsContact CG2-C 3.46Å; V58-N198 WeakPolarHBondContact CG2-O 3.3Å; Q195-N198 PolarHBondContact O-N 3.22Å; L196-N198 PolarHBondContact O-N 3.26Å; L196-N198 VanDerWaalsContact O-N 3.09Å
199N95.7Very high97.3Very high28 Ų2844.9 Ų44.915%0.1522%0.223CC..THydrogen-bonded Turntrans-14922-176.7-161.138.7000113.2L169 T170 I171 Q195 L196L169-N199 PolarHBondContact O-ND2 2.93Å; T170-N199 WeakPolarHBondContact CA-O 3.49Å; T170-N199 WeakPolarHBondContact CA-OD1 3.42Å; T170-N199 PolarHBondContact N-OD1 3.36Å; T170-N199 PolarHBondContact OG1-OD1 3.25Å; I171-N199 PolarHBondContact N-O 3.26Å; Q195-N199 PolarHBondContact O-N 3.19Å; L196-N199 PolarHBondContact O-N 3.16Å; L196-N199 VanDerWaalsContact O-N 3.15Å
200S98.1Very high97.3Very high0 Ų044 Ų440%022%0.219CC..EExtended strand (participates in β ladder)trans-153.1162.417364.80000114.1I171 Y190 L196I171-S200 CarbonylContact O-C 3.52Å; I171-S200 WeakPolarHBondContact O-CA 3.34Å; I171-S200 VanDerWaalsContact O-CB 3.24Å; I171-S200 WeakPolarHBondContact O-CB 3.36Å; Y190-S200 PolarHBondContact OH-OG 2.84Å; L196-S200 PolarHBondContact O-N 3.13Å; L196-S200 PolarHBondContact O-OG 2.88Å
201V98.4Very high97.2Very high0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-134.1133.4177.7-177.60000107.5V58 L59 I171 F172 F173 I221 A223V58-V201 HydrophobicContact CG1-CG2 3.92Å; L59-V201 HydrophobicContact CD2-CG2 3.74Å; I171-V201 PolarHBondContact O-N 2.92Å; F172-V201 CarbonylContact C-O 3.41Å; F172-V201 WeakPolarHBondContact CA-O 3.47Å; F172-V201 HydrophobicContact CD1-CB 3.93Å; F172-V201 HydrophobicContact CD1-CG1 4.24Å; F172-V201 HydrophobicContact CD1-CG2 4.3Å; F172-V201 HydrophobicContact CE1-CB 4.1Å; F172-V201 HydrophobicContact CE1-CG1 4.35Å; F172-V201 HydrophobicContact CE1-CG2 3.99Å; F172-V201 HydrophobicContact CG-CB 4.36Å; F172-V201 HydrophobicContact CZ-CG2 4.16Å; F173-V201 PolarHBondContact N-O 3.26Å; V201-I221 WeakPolarHBondContact CA-O 3.47Å; V201-I221 HydrophobicContact CG1-CG2 4.21Å; V201-I221 HydrophobicContact CG2-CG2 3.97Å; V201-A223 HydrophobicContact CG1-CB 3.9Å
202V98.6Very high97.2Very high0 Ų043.4 Ų43.40%021%0.211CC..EExtended strand (participates in β ladder)trans-97.4118.7170.6-179.70000108.8F173 V175 L186 Y190 I210 M213 V220 I221 T222 A223F173-V202 HydrophobicContact CD2-CG2 4.12Å; V175-V202 HydrophobicContact CG2-CG1 4.19Å; L186-V202 HydrophobicContact CD1-CG1 3.86Å; L186-V202 HydrophobicContact CD1-CG2 3.92Å; Y190-V202 HydrophobicContact CE2-CG2 4.39Å; V202-I210 HydrophobicContact CG1-CD1 4.48Å; V202-M213 HydrophobicContact CB-CG 4.41Å; V202-M213 HydrophobicContact CG1-CG 4.24Å; V202-M213 HydrophobicContact CG2-CG 4.38Å; V202-V220 HydrophobicContact CB-CG1 4.25Å; V202-V220 HydrophobicContact CG2-CG1 3.68Å; V202-I221 PolarHBondContact N-O 3Å; V202-T222 HydrophobicContact CB-CG2 4.36Å; V202-T222 CarbonylContact O-C 3.53Å; V202-T222 WeakPolarHBondContact O-CA 3.37Å; V202-A223 PolarHBondContact O-N 3.31Å
203C98.1Very high97.1Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-121.1157.1179.852.70000112F173 V175 A223 L275F173-C203 PolarHBondContact O-N 2.93Å; F173-C203 VanDerWaalsContact O-O 3.07Å; F173-C203 PolarHBondContact O-SG 3.46Å; F173-C203 VanDerWaalsContact O-SG 3.34Å; V175-C203 PolarHBondContact N-O 3.4Å; C203-A223 WeakPolarHBondContact CA-O 3.4Å; C203-A223 HydrophobicContact CB-CB 4.11Å; C203-L275 HydrophobicContact CB-CD1 4.44Å; C203-L275 HydrophobicContact CB-CD2 3.88Å
204S97.8Very high97.1Very high0 Ų038.2 Ų38.20%019%0.187CC..EExtended strand (participates in β ladder)trans-167.4149.7177-173.60000110.2V175 L206 T225V175-S204 VanDerWaalsContact O-CB 3.31Å; V175-S204 WeakPolarHBondContact O-CB 3.46Å; V175-S204 PolarHBondContact O-OG 3.08Å; S204-L206 PolarHBondContact O-N 3.16Å; S204-L206 PolarHBondContact OG-N 2.84Å; S204-T225 PolarHBondContact O-N 2.73Å
205F95.7Very high97Very high75 Ų7540.1 Ų40.133%0.32919%0.19SC..SBendtrans-69.9-17163.4-74.8-91.6000113P207 T225 R227 W299F205-P207 WeakPolarHBondContact O-CD 3.46Å; F205-T225 WeakPolarHBondContact CA-O 3.48Å; F205-T225 HydrophobicContact CD1-CG2 4.18Å; F205-T225 HydrophobicContact CD2-CG2 3.82Å; F205-T225 HydrophobicContact CE1-CG2 3.77Å; F205-T225 HydrophobicContact CE2-CG2 3.37Å; F205-T225 HydrophobicContact CG-CG2 4.21Å; F205-T225 HydrophobicContact CZ-CG2 3.36Å; F205-R227 HydrophobicContact CE1-CB 4.07Å; F205-W299 HydrophobicContact CE1-CH2 4.01Å; F205-W299 AromaticContact CE1-CZ2 3.78Å; F205-W299 HydrophobicContact CE1-CZ2 3.78Å; F205-W299 AromaticContact CZ-CH2 3.48Å; F205-W299 HydrophobicContact CZ-CH2 3.48Å; F205-W299 VanDerWaalsContact CZ-CH2 3.48Å; F205-W299 AromaticContact CZ-CZ2 3.43Å; F205-W299 HydrophobicContact CZ-CZ2 3.43Å; F205-W299 VanDerWaalsContact CZ-CZ2 3.43Å; F205-W299 HydrophobicContact CZ-CZ3 4.43Å
206L95.6Very high97Very high78 Ų7836.7 Ų36.741%0.40818%0.177SC..  trans-99.1110.6-175.3-58.3-179.7000110.6K176 S204 E208 V209K176-L206 VanDerWaalsContact O-CD1 3.28Å; K176-L206 WeakPolarHBondContact O-CD1 3.32Å; S204-L206 PolarHBondContact O-N 3.16Å; S204-L206 PolarHBondContact OG-N 2.84Å; L206-E208 PolarHBondContact O-N 3.46Å; L206-E208 VanDerWaalsContact O-N 3.14Å; L206-V209 HydrophobicContact CB-CB 4.43Å; L206-V209 HydrophobicContact CB-CG2 3.89Å; L206-V209 HydrophobicContact CD1-CG2 4.25Å; L206-V209 WeakPolarHBondContact O-CB 3.41Å; L206-V209 PolarHBondContact O-N 3.35Å; L206-V209 VanDerWaalsContact O-N 3.07Å
207P95.3Very high96.9Very high30 Ų3037.8 Ų37.820%0.19518%0.183CC..Hα-helixtrans-59.5-28.7179.1-24.634.5000113.7F205 V209 I210 Y211 L224 M261 L265F205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-V209 VanDerWaalsContact C-N 3.32Å; P207-V209 PolarHBondContact O-N 3.34Å; P207-I210 PolarHBondContact O-N 2.9Å; P207-Y211 WeakPolarHBondContact O-CB 3.19Å; P207-Y211 PolarHBondContact O-N 3.1Å; P207-L224 HydrophobicContact CB-CD2 4.15Å; P207-L224 HydrophobicContact CG-CD2 4.18Å; P207-M261 HydrophobicContact CG-CE 3.78Å; P207-M261 HydrophobicContact CG-SD 4.49Å; P207-L265 HydrophobicContact CB-CD1 4.14Å; P207-L265 HydrophobicContact CB-CD2 4.18Å; P207-L265 HydrophobicContact CG-CD1 3.68Å
208E95.9Very high96.9Very high137 Ų13743.6 Ų43.664%0.6420%0.204SC*.Hα-helixtrans-59-42.4176-176.8-176.4170.400112A179 L206 I210 Y211 K212A179-E208 HydrophobicContact CB-CG 4.28Å; L206-E208 PolarHBondContact O-N 3.46Å; L206-E208 VanDerWaalsContact O-N 3.14Å; E208-I210 VanDerWaalsContact C-N 3.35Å; E208-I210 PolarHBondContact O-N 2.74Å; E208-Y211 PolarHBondContact O-N 3.28Å; E208-K212 VanDerWaalsContact O-CB 3.24Å; E208-K212 WeakPolarHBondContact O-CB 3.45Å; E208-K212 PolarHBondContact O-N 3.29Å
209V96.8Very high96.9Very high3 Ų343.3 Ų43.32%0.01820%0.203CC..Hα-helixtrans-62.2-47.1178.7173.20000110V175 A179 L206 P207 K212 M213V175-V209 HydrophobicContact CB-CG1 3.74Å; V175-V209 HydrophobicContact CG1-CB 4.49Å; V175-V209 HydrophobicContact CG1-CG1 3.5Å; V175-V209 HydrophobicContact CG1-CG2 4.18Å; V175-V209 HydrophobicContact CG2-CG1 4.39Å; A179-V209 HydrophobicContact CB-CB 4.48Å; A179-V209 HydrophobicContact CB-CG2 3.95Å; L206-V209 HydrophobicContact CB-CB 4.43Å; L206-V209 HydrophobicContact CB-CG2 3.89Å; L206-V209 HydrophobicContact CD1-CG2 4.25Å; L206-V209 WeakPolarHBondContact O-CB 3.41Å; L206-V209 PolarHBondContact O-N 3.35Å; L206-V209 VanDerWaalsContact O-N 3.07Å; P207-V209 VanDerWaalsContact C-N 3.32Å; P207-V209 PolarHBondContact O-N 3.34Å; V209-K212 PolarHBondContact O-N 2.79Å; V209-M213 WeakPolarHBondContact O-CB 3.11Å; V209-M213 PolarHBondContact O-N 3.16Å
210I97.6Very high96.9Very high0 Ų042 Ų420%020%0.195CC..Hα-helixtrans-64.6-46.4179.8-58.8-51.1000111V202 P207 E208 K212 M213 R214 T222 A223 L224 C269 I271V202-I210 HydrophobicContact CG1-CD1 4.48Å; P207-I210 PolarHBondContact O-N 2.9Å; E208-I210 VanDerWaalsContact C-N 3.35Å; E208-I210 PolarHBondContact O-N 2.74Å; I210-K212 VanDerWaalsContact C-N 3.33Å; I210-K212 PolarHBondContact O-N 3.02Å; I210-M213 PolarHBondContact O-N 2.88Å; I210-R214 HydrophobicContact CG2-CG 4.47Å; I210-R214 VanDerWaalsContact O-CG 3.27Å; I210-R214 WeakPolarHBondContact O-CG 3.42Å; I210-R214 PolarHBondContact O-N 3.41Å; I210-T222 HydrophobicContact CG2-CG2 4.16Å; I210-A223 VanDerWaalsContact CD1-O 3.26Å; I210-A223 WeakPolarHBondContact CD1-O 3.41Å; I210-L224 HydrophobicContact CB-CD2 4.29Å; I210-L224 HydrophobicContact CG1-CD2 3.84Å; I210-L224 HydrophobicContact CG1-CG 4.5Å; I210-C269 HydrophobicContact CG2-CB 3.9Å; I210-I271 HydrophobicContact CG2-CG2 3.9Å
211Y97.2Very high96.9Very high59 Ų5942 Ų4223%0.23120%0.196CC..Hα-helixtrans-59.7-45.1177.6-172.4-88.5000111.4F45 F47 P207 E208 M213 R214 Q215 L268F45-Y211 VanDerWaalsContact O-CE2 3.32Å; F45-Y211 WeakPolarHBondContact O-CE2 3.47Å; F45-Y211 PolarHBondContact O-OH 3.15Å; F47-Y211 HydrophobicContact CD2-CD2 4.22Å; F47-Y211 HydrophobicContact CD2-CE2 4.15Å; F47-Y211 HydrophobicContact CE2-CD1 4.36Å; F47-Y211 AromaticContact CE2-CD2 3.66Å; F47-Y211 HydrophobicContact CE2-CD2 3.66Å; F47-Y211 HydrophobicContact CE2-CE1 4.21Å; F47-Y211 AromaticContact CE2-CE2 3.49Å; F47-Y211 HydrophobicContact CE2-CE2 3.49Å; F47-Y211 VanDerWaalsContact CE2-CE2 3.49Å; F47-Y211 HydrophobicContact CE2-CG 4.1Å; F47-Y211 AromaticContact CE2-CZ 3.79Å; F47-Y211 HydrophobicContact CZ-CE1 4.5Å; F47-Y211 HydrophobicContact CZ-CE2 4.34Å; P207-Y211 WeakPolarHBondContact O-CB 3.19Å; P207-Y211 PolarHBondContact O-N 3.1Å; E208-Y211 PolarHBondContact O-N 3.28Å; Y211-M213 VanDerWaalsContact C-N 3.33Å; Y211-M213 PolarHBondContact O-N 3.4Å; Y211-R214 PolarHBondContact O-N 3.19Å; Y211-Q215 WeakPolarHBondContact O-CB 3.46Å; Y211-Q215 PolarHBondContact O-N 3.49Å; Y211-L268 HydrophobicContact CD2-CD2 4.48Å; Y211-L268 HydrophobicContact CD2-CG 4.08Å; Y211-L268 HydrophobicContact CE2-CD1 3.99Å; Y211-L268 HydrophobicContact CE2-CG 3.95Å
212K97.3Very high96.9Very high59 Ų5942 Ų4226%0.25720%0.196SC..Hα-helixtrans-64.1-38.2176.7-171.174.6-169.6-160.60112.1A179 N180 T183 E208 V209 I210 Q215 T216A179-K212 HydrophobicContact CB-CB 4.22Å; A179-K212 HydrophobicContact CB-CG 4.41Å; N180-K212 WeakPolarHBondContact OD1-CE 3.38Å; N180-K212 PolarHBondContact OD1-NZ 2.96Å; T183-K212 HydrophobicContact CG2-CB 4.03Å; T183-K212 HydrophobicContact CG2-CG 3.83Å; E208-K212 VanDerWaalsContact O-CB 3.24Å; E208-K212 WeakPolarHBondContact O-CB 3.45Å; E208-K212 PolarHBondContact O-N 3.29Å; V209-K212 PolarHBondContact O-N 2.79Å; I210-K212 VanDerWaalsContact C-N 3.33Å; I210-K212 PolarHBondContact O-N 3.02Å; K212-Q215 WeakPolarHBondContact O-CB 3.31Å; K212-Q215 PolarHBondContact O-N 2.98Å; K212-T216 WeakPolarHBondContact O-CB 3.24Å; K212-T216 PolarHBondContact O-N 3.31Å; K212-T216 PolarHBondContact O-OG1 3.13Å
213M97.5Very high96.9Very high0 Ų042 Ų420%020%0.196CC..Hα-helixtrans-63.4-45.4176.9-169.360.7-145.600110.6T183 L186 V202 V209 I210 Y211 Q215 T216 D217 V220 T222T183-M213 HydrophobicContact CG2-CB 3.87Å; T183-M213 HydrophobicContact CG2-CG 4.47Å; T183-M213 HydrophobicContact CG2-SD 3.77Å; L186-M213 HydrophobicContact CB-CE 4.42Å; L186-M213 HydrophobicContact CB-SD 4.24Å; L186-M213 HydrophobicContact CD1-SD 4.32Å; V202-M213 HydrophobicContact CB-CG 4.41Å; V202-M213 HydrophobicContact CG1-CG 4.24Å; V202-M213 HydrophobicContact CG2-CG 4.38Å; V209-M213 WeakPolarHBondContact O-CB 3.11Å; V209-M213 PolarHBondContact O-N 3.16Å; I210-M213 PolarHBondContact O-N 2.88Å; Y211-M213 VanDerWaalsContact C-N 3.33Å; Y211-M213 PolarHBondContact O-N 3.4Å; M213-Q215 VanDerWaalsContact C-N 3.32Å; M213-Q215 PolarHBondContact O-N 3.09Å; M213-T216 WeakPolarHBondContact O-CB 3.46Å; M213-T216 PolarHBondContact O-N 3.33Å; M213-T216 VanDerWaalsContact O-N 3.12Å; M213-D217 HydrophobicContact CE-CB 4.16Å; M213-D217 PolarHBondContact O-N 3.42Å; M213-V220 HydrophobicContact CE-CB 4.13Å; M213-V220 HydrophobicContact CE-CG1 4.1Å; M213-V220 HydrophobicContact CE-CG2 3.66Å; M213-V220 HydrophobicContact CG-CG1 4.07Å; M213-T222 HydrophobicContact CB-CG2 4.46Å; M213-T222 HydrophobicContact CG-CG2 4.34Å
214R96.9Very high96.9Very high5 Ų542 Ų422%0.01920%0.196CC..Hα-helixtrans-67.8-31.2177.5-62.8-69-62.7157.47.7113.1F47 E48 V50 I210 Y211 D217 R218 V220 T222 C269F47-R214 HydrophobicContact CB-CB 4.4Å; F47-R214 HydrophobicContact CD1-CB 4.28Å; F47-R214 HydrophobicContact CD2-CB 3.55Å; F47-R214 HydrophobicContact CD2-CG 4.46Å; F47-R214 HydrophobicContact CE1-CB 4.5Å; F47-R214 HydrophobicContact CE2-CB 3.79Å; F47-R214 HydrophobicContact CG-CB 3.81Å; F47-R214 HydrophobicContact CZ-CB 4.27Å; E48-R214 PolarHBondContact O-NH2 2.89Å; V50-R214 VanDerWaalsContact CG2-NH1 3.34Å; I210-R214 HydrophobicContact CG2-CG 4.47Å; I210-R214 VanDerWaalsContact O-CG 3.27Å; I210-R214 WeakPolarHBondContact O-CG 3.42Å; I210-R214 PolarHBondContact O-N 3.41Å; Y211-R214 PolarHBondContact O-N 3.19Å; R214-D217 CarbonylContact O-C 3.54Å; R214-R218 PolarHBondContact NH1-O 3.32Å; R214-R218 PolarHBondContact NH2-O 2.9Å; R214-R218 WeakPolarHBondContact O-CG 3.24Å; R214-V220 PolarHBondContact NH1-O 3.09Å; R214-T222 HydrophobicContact CG-CG2 3.95Å; R214-C269 WeakPolarHBondContact CG-O 3.47Å
215Q96.6Very high96.9Very high113 Ų11342.2 Ų42.253%0.52820%0.197SC..Hα-helixtrans-65.4-40.5170.4-170.8-177.921.200111.6F47 Y211 K212 M213F47-Q215 HydrophobicContact CZ-CB 3.94Å; Y211-Q215 WeakPolarHBondContact O-CB 3.46Å; Y211-Q215 PolarHBondContact O-N 3.49Å; K212-Q215 WeakPolarHBondContact O-CB 3.31Å; K212-Q215 PolarHBondContact O-N 2.98Å; M213-Q215 VanDerWaalsContact C-N 3.32Å; M213-Q215 PolarHBondContact O-N 3.09Å
216T96.4Very high96.9Very high40 Ų4038.9 Ų38.925%0.24518%0.182CC..Hα-helixtrans-72.9-42180-63.10000112.3K187 K212 M213K187-T216 HydrophobicContact CB-CG2 4.08Å; K187-T216 HydrophobicContact CD-CG2 3.6Å; K187-T216 HydrophobicContact CG-CG2 4.08Å; K212-T216 WeakPolarHBondContact O-CB 3.24Å; K212-T216 PolarHBondContact O-N 3.31Å; K212-T216 PolarHBondContact O-OG1 3.13Å; M213-T216 WeakPolarHBondContact O-CB 3.46Å; M213-T216 PolarHBondContact O-N 3.33Å; M213-T216 VanDerWaalsContact O-N 3.12Å
217D96.8Very high96.9Very high24 Ų2436.6 Ų36.613%0.12817%0.168CC..  trans-151.3115.9-179.5-161.7-42.9000112.2Y197 M213 R214 N219 V220Y197-D217 PolarHBondContact OH-OD2 2.85Å; M213-D217 HydrophobicContact CE-CB 4.16Å; M213-D217 PolarHBondContact O-N 3.42Å; R214-D217 CarbonylContact O-C 3.54Å; D217-N219 VanDerWaalsContact C-N 3.32Å; D217-N219 PolarHBondContact O-N 3.02Å; D217-N219 WeakPolarHBondContact OD1-CB 3.44Å; D217-N219 PolarHBondContact OD1-N 3.41Å; D217-V220 HydrophobicContact CB-CG2 3.86Å
218R95.9Very high96.9Very high174 Ų17435.7 Ų35.766%0.65716%0.163SC*.THydrogen-bonded Turntrans-81.8-4.7-178.3-64-178.4-178.2166.9-1.2114.2F47 R214F47-R218 HydrophobicContact CD1-CG 4.31Å; R214-R218 PolarHBondContact NH1-O 3.32Å; R214-R218 PolarHBondContact NH2-O 2.9Å; R214-R218 WeakPolarHBondContact O-CG 3.24Å
219N96.1Very high96.8Very high84 Ų8434.2 Ų34.245%0.44915%0.151SC..THydrogen-bonded Turntrans-94.3-10.9178.9-67.7-53.5000113.1Y197 D217Y197-N219 HydrophobicContact CD1-CB 3.82Å; Y197-N219 HydrophobicContact CE1-CB 3.75Å; D217-N219 VanDerWaalsContact C-N 3.32Å; D217-N219 PolarHBondContact O-N 3.02Å; D217-N219 WeakPolarHBondContact OD1-CB 3.44Å; D217-N219 PolarHBondContact OD1-N 3.41Å
220V97.1Very high96.7Very high0 Ų035 Ų350%016%0.157CC..SBendtrans-76126.6-178.1171.20000111Y190 Y197 V202 M213 R214 D217 T222Y190-V220 HydrophobicContact CD1-CG2 4.02Å; Y190-V220 HydrophobicContact CD2-CG2 4.4Å; Y190-V220 HydrophobicContact CE1-CG2 3.68Å; Y190-V220 HydrophobicContact CE2-CG1 4.35Å; Y190-V220 HydrophobicContact CE2-CG2 4.12Å; Y190-V220 HydrophobicContact CG-CG2 4.35Å; Y190-V220 WeakPolarHBondContact OH-CG1 3.13Å; Y197-V220 HydrophobicContact CD1-CG2 4.26Å; Y197-V220 HydrophobicContact CE1-CG2 3.86Å; V202-V220 HydrophobicContact CB-CG1 4.25Å; V202-V220 HydrophobicContact CG2-CG1 3.68Å; M213-V220 HydrophobicContact CE-CB 4.13Å; M213-V220 HydrophobicContact CE-CG1 4.1Å; M213-V220 HydrophobicContact CE-CG2 3.66Å; M213-V220 HydrophobicContact CG-CG1 4.07Å; R214-V220 PolarHBondContact NH1-O 3.09Å; D217-V220 HydrophobicContact CB-CG2 3.86Å; V220-T222 HydrophobicContact CG1-CG2 4.13Å; V220-T222 PolarHBondContact O-N 3.19Å
221I98.1Very high96.5Very high1 Ų137.7 Ų37.71%0.00517%0.171CC..  trans-70.2125.4173.8-62.2172.6000107.7V50 R54 V55 V58 V201 V202V50-I221 HydrophobicContact CB-CG1 4.33Å; V50-I221 HydrophobicContact CG1-CG1 4.03Å; V50-I221 HydrophobicContact CG2-CG1 4.32Å; R54-I221 HydrophobicContact CG-CD1 4.41Å; V55-I221 HydrophobicContact CG2-CG1 4.48Å; V58-I221 HydrophobicContact CB-CD1 3.82Å; V58-I221 HydrophobicContact CG1-CD1 4.22Å; V58-I221 HydrophobicContact CG2-CD1 3.5Å; V201-I221 WeakPolarHBondContact CA-O 3.47Å; V201-I221 HydrophobicContact CG1-CG2 4.21Å; V201-I221 HydrophobicContact CG2-CG2 3.97Å; V202-I221 PolarHBondContact N-O 3Å
222T98.1Very high96.4Very high0 Ų034.9 Ų34.90%016%0.16CC..EExtended strand (participates in β ladder)trans-123.5154179.759.90000112.1V202 I210 M213 R214 V220 S272 A273V202-T222 HydrophobicContact CB-CG2 4.36Å; V202-T222 CarbonylContact O-C 3.53Å; V202-T222 WeakPolarHBondContact O-CA 3.37Å; I210-T222 HydrophobicContact CG2-CG2 4.16Å; M213-T222 HydrophobicContact CB-CG2 4.46Å; M213-T222 HydrophobicContact CG-CG2 4.34Å; R214-T222 HydrophobicContact CG-CG2 3.95Å; V220-T222 HydrophobicContact CG1-CG2 4.13Å; V220-T222 PolarHBondContact O-N 3.19Å; T222-S272 PolarHBondContact O-N 2.97Å; T222-A273 PolarHBondContact O-N 3.34Å
223A98.1Very high96.3Very high0 Ų034.1 Ų34.10%016%0.157CC..EExtended strand (participates in β ladder)trans-136.4148.6175.100000111.9V201 V202 C203 I210 A273 L275V201-A223 HydrophobicContact CG1-CB 3.9Å; V202-A223 PolarHBondContact O-N 3.31Å; C203-A223 WeakPolarHBondContact CA-O 3.4Å; C203-A223 HydrophobicContact CB-CB 4.11Å; I210-A223 VanDerWaalsContact CD1-O 3.26Å; I210-A223 WeakPolarHBondContact CD1-O 3.41Å; A223-A273 WeakPolarHBondContact CA-O 3.15Å; A223-A273 HydrophobicContact CB-CB 3.94Å; A223-A273 WeakPolarHBondContact CB-O 3.45Å; A223-L275 HydrophobicContact CB-CD1 3.54Å
224L97.8Very high96Very high0 Ų036.1 Ų36.10%017%0.17CC..EExtended strand (participates in β ladder)trans-95.6124.7169.1-76.2164.4000108.8P207 I210 M261 L265 I271 A273 F274 L275P207-L224 HydrophobicContact CB-CD2 4.15Å; P207-L224 HydrophobicContact CG-CD2 4.18Å; I210-L224 HydrophobicContact CB-CD2 4.29Å; I210-L224 HydrophobicContact CG1-CD2 3.84Å; I210-L224 HydrophobicContact CG1-CG 4.5Å; L224-M261 HydrophobicContact CB-SD 4.31Å; L224-M261 HydrophobicContact CD1-SD 3.8Å; L224-M261 HydrophobicContact CD2-CE 4.36Å; L224-M261 HydrophobicContact CD2-SD 4.3Å; L224-M261 HydrophobicContact CG-SD 4.35Å; L224-L265 HydrophobicContact CD1-CB 4.16Å; L224-I271 HydrophobicContact CB-CD1 4.16Å; L224-I271 HydrophobicContact CD1-CD1 3.93Å; L224-I271 HydrophobicContact CD1-CG2 3.89Å; L224-I271 HydrophobicContact CG-CD1 4.23Å; L224-I271 HydrophobicContact CG-CG2 3.81Å; L224-A273 PolarHBondContact N-O 3.48Å; L224-A273 VanDerWaalsContact N-O 3.15Å; L224-F274 HydrophobicContact CB-CD1 4.03Å; L224-F274 HydrophobicContact CB-CE1 3.93Å; L224-F274 HydrophobicContact CD1-CE1 4.39Å; L224-F274 WeakPolarHBondContact O-CA 3.27Å; L224-L275 PolarHBondContact O-N 3.49Å
225T97.3Very high95.2Very high5 Ų536.8 Ų36.83%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-86.3129.7171.5-47.30000108.3S204 F205 L275 W299S204-T225 PolarHBondContact O-N 2.73Å; F205-T225 WeakPolarHBondContact CA-O 3.48Å; F205-T225 HydrophobicContact CD1-CG2 4.18Å; F205-T225 HydrophobicContact CD2-CG2 3.82Å; F205-T225 HydrophobicContact CE1-CG2 3.77Å; F205-T225 HydrophobicContact CE2-CG2 3.37Å; F205-T225 HydrophobicContact CG-CG2 4.21Å; F205-T225 HydrophobicContact CZ-CG2 3.36Å; T225-L275 CarbonylContact C-O 3.53Å; T225-L275 WeakPolarHBondContact CA-O 3.31Å; T225-L275 HydrophobicContact CG2-CB 3.91Å; T225-W299 HydrophobicContact CG2-CZ2 3.92Å
226H96.4Very high94.6Very high4 Ų435.3 Ų35.32%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-140.8134.9-176.3-173.958.4000111.6D258 L275 M276 Q277H226-D258 IonicContact CD2-OD1 3.7Å; H226-D258 IonicContact CE1-OD1 3.22Å; H226-D258 IonicContact NE2-OD1 3.62Å; H226-D258 PolarHBondContact NE2-OD1 2.95Å; H226-L275 PolarHBondContact N-O 2.91Å; H226-M276 HydrophobicContact CB-CE 3.75Å; H226-M276 HydrophobicContact CB-SD 4.19Å; H226-Q277 PolarHBondContact O-N 3.02Å
227R95.3Very high94.2Very high30 Ų3035.8 Ų35.811%0.11319%0.187CC..  trans-128.2113.1169.3-170.4-174.976.7-160.94.1107F205 S230 H233 Q277 W299F205-R227 HydrophobicContact CE1-CB 4.07Å; R227-S230 WeakPolarHBondContact O-CB 3.31Å; R227-S230 PolarHBondContact O-N 3.4Å; R227-S230 PolarHBondContact O-OG 3.17Å; R227-H233 PolarHBondContact NH2-O 3Å; R227-Q277 HydrophobicContact CB-CB 4.49Å; R227-Q277 HydrophobicContact CG-CB 4.01Å; R227-Q277 HydrophobicContact CG-CG 4.32Å; R227-W299 HydrophobicContact CB-CH2 3.89Å; R227-W299 HydrophobicContact CB-CZ2 3.95Å; R227-W299 HydrophobicContact CG-CH2 4.24Å
228P94.9Very high94Very high12 Ų1240.9 Ų40.98%0.07821%0.208CC..THydrogen-bonded Turntrans-52.8144.4172-28.638.5000110.7S230 F280P228-S230 PolarHBondContact O-N 2.99Å; P228-F280 HydrophobicContact CB-CD1 4.26Å; P228-F280 HydrophobicContact CB-CD2 4.43Å; P228-F280 HydrophobicContact CB-CE1 3.85Å; P228-F280 HydrophobicContact CB-CE2 4.04Å; P228-F280 HydrophobicContact CB-CZ 3.73Å; P228-F280 HydrophobicContact CG-CB 4.38Å; P228-F280 HydrophobicContact CG-CD1 3.72Å; P228-F280 HydrophobicContact CG-CD2 3.79Å; P228-F280 HydrophobicContact CG-CE1 3.84Å; P228-F280 HydrophobicContact CG-CE2 3.92Å; P228-F280 HydrophobicContact CG-CG 3.68Å; P228-F280 HydrophobicContact CG-CZ 3.94Å
229W95.6Very high94Very high105 Ų10536 Ų3640%0.39820%0.199SC..THydrogen-bonded Turntrans65.514.8180-42.3106.3000115.5L231 S232 H233 V251 D254 I255W229-L231 VanDerWaalsContact C-N 3.27Å; W229-L231 PolarHBondContact O-N 2.76Å; W229-S232 PolarHBondContact O-N 2.66Å; W229-H233 HydrophobicContact CB-CB 4.25Å; W229-H233 WeakPolarHBondContact O-CA 3.29Å; W229-H233 WeakPolarHBondContact O-CB 3.44Å; W229-H233 PolarHBondContact O-N 3.15Å; W229-V251 HydrophobicContact CZ3-CG1 3.93Å; W229-D254 VanDerWaalsContact C-OD2 3.27Å; W229-D254 WeakPolarHBondContact CA-OD1 3.25Å; W229-D254 VanDerWaalsContact CA-OD2 3.28Å; W229-D254 WeakPolarHBondContact CA-OD2 3.47Å; W229-D254 HydrophobicContact CE3-CB 3.85Å; W229-D254 HydrophobicContact CZ3-CB 4.3Å; W229-I255 HydrophobicContact CH2-CD1 4.4Å; W229-I255 HydrophobicContact CH2-CG1 3.94Å; W229-I255 HydrophobicContact CZ3-CD1 4.49Å; W229-I255 HydrophobicContact CZ3-CG1 3.89Å
230S93.4Very high93.9Very high20 Ų2037.7 Ų37.714%0.1420%0.199CC..THydrogen-bonded Turntrans-63.4-28.2-175.3530000114.7R227 P228 R240 D254R227-S230 WeakPolarHBondContact O-CB 3.31Å; R227-S230 PolarHBondContact O-N 3.4Å; R227-S230 PolarHBondContact O-OG 3.17Å; P228-S230 PolarHBondContact O-N 2.99Å; S230-R240 PolarHBondContact O-NE 2.97Å; S230-R240 PolarHBondContact O-NH2 3.4Å; S230-D254 PolarHBondContact N-OD1 3.06Å; S230-D254 VanDerWaalsContact N-OD1 3.17Å
231L94.3Very high93.8Very high57 Ų5740.5 Ų40.530%0.29821%0.21SC..THydrogen-bonded Turntrans-82-31.5-179.8-56.3178.2000112.8W229 R240 F250 M253 D254 L257W229-L231 VanDerWaalsContact C-N 3.27Å; W229-L231 PolarHBondContact O-N 2.76Å; L231-R240 WeakPolarHBondContact O-CD 3.2Å; L231-F250 HydrophobicContact CB-CD1 3.96Å; L231-M253 HydrophobicContact CD1-CB 3.81Å; L231-D254 VanDerWaalsContact CB-OD1 3.32Å; L231-D254 WeakPolarHBondContact CB-OD1 3.46Å; L231-D254 WeakPolarHBondContact CG-OD1 3.44Å; L231-D254 PolarHBondContact N-OD1 3.31Å; L231-D254 PolarHBondContact N-OD2 3.42Å; L231-L257 HydrophobicContact CD1-CD2 4Å; L231-L257 HydrophobicContact CG-CD2 4.2Å
232S95.5Very high93.6Very high0 Ų048.5 Ų48.50%025%0.252CS..THydrogen-bonded Turntrans-98.6-26.6-177.858.20000114.1W229 R240 H247 D254W229-S232 PolarHBondContact O-N 2.66Å; S232-R240 PolarHBondContact O-N 2.87Å; S232-H247 PolarHBondContact O-CE1 3.39Å; S232-H247 PolarHBondContact O-ND1 2.9Å; S232-D254 WeakPolarHBondContact CB-OD2 3.28Å; S232-D254 PolarHBondContact N-OD2 2.79Å; S232-D254 PolarHBondContact OG-OD2 2.93Å
233H94.3Very high93.5Very high42 Ų4252.7 Ų52.719%0.19428%0.278CS..BIsolated β-bridgetrans-126.8147.5-175.3-62.780.1000112.7R227 W229 G237 K238 R240 H247R227-H233 PolarHBondContact NH2-O 3Å; W229-H233 HydrophobicContact CB-CB 4.25Å; W229-H233 WeakPolarHBondContact O-CA 3.29Å; W229-H233 WeakPolarHBondContact O-CB 3.44Å; W229-H233 PolarHBondContact O-N 3.15Å; H233-G237 PolarHBondContact CD2-O 3.37Å; H233-G237 VanDerWaalsContact CD2-O 3.29Å; H233-K238 CarbonylContact C-O 3.16Å; H233-K238 WeakPolarHBondContact CA-O 3.35Å; H233-R240 PolarHBondContact O-NE 3.44Å; H233-H247 AromaticContact CE1-CE1 3.5Å; H233-H247 PolarHBondContact CE1-CE1 2.79Å; H233-H247 VanDerWaalsContact CE1-CE1 3.5Å; H233-H247 AromaticContact CE1-NE2 3.78Å; H233-H247 AromaticContact NE2-CE1 3.63Å; H233-H247 AromaticContact NE2-NE2 3.89Å
234T90.4Very high93.3Very high43 Ų4359.3 Ų59.326%0.26431%0.307SS..  trans-74.9171.8169.246.60000110.9D236 G237 K238 R240T234-D236 VanDerWaalsContact CB-OD1 3.23Å; T234-D236 WeakPolarHBondContact CB-OD1 3.47Å; T234-D236 PolarHBondContact O-N 3.43Å; T234-D236 PolarHBondContact OG1-OD1 2.79Å; T234-G237 PolarHBondContact O-N 3.29Å; T234-K238 PolarHBondContact N-O 3.09Å; T234-K238 WeakPolarHBondContact OG1-CB 3.39Å; T234-K238 PolarHBondContact OG1-N 3.15Å; T234-K238 PolarHBondContact OG1-O 2.95Å; T234-R240 HydrophobicContact CG2-CG 3.79Å
235G81.6Confident93.2Very high19 Ų1967.9 Ų67.920%0.19634%0.34CS..THydrogen-bonded Turntrans-62.5-29.4-177.600000114G237 F331G235-G237 PolarHBondContact O-N 3.2Å; G235-F331 VanDerWaalsContact C-CE1 3.45Å; G235-F331 VanDerWaalsContact O-CE1 3.29Å; G235-F331 WeakPolarHBondContact O-CE1 3.32Å
236D83.1Confident93.1Very high81 Ų8172.4 Ų72.443%0.43336%0.359SS..THydrogen-bonded Turntrans-82.37.717467.8-22.6000113.5T234 K238T234-D236 VanDerWaalsContact CB-OD1 3.23Å; T234-D236 WeakPolarHBondContact CB-OD1 3.47Å; T234-D236 PolarHBondContact O-N 3.43Å; T234-D236 PolarHBondContact OG1-OD1 2.79Å; D236-K238 VanDerWaalsContact C-N 3.31Å; D236-K238 PolarHBondContact O-N 2.73Å; D236-K238 PolarHBondContact OD1-N 3.44Å; D236-K238 VanDerWaalsContact OD2-CD 3.29Å; D236-K238 WeakPolarHBondContact OD2-CD 3.47Å; D236-K238 VanDerWaalsContact OD2-CE 3.3Å; D236-K238 WeakPolarHBondContact OD2-CE 3.42Å; D236-K238 WeakPolarHBondContact OD2-CG 3.08Å; D236-K238 IonicContact OD2-NZ 3.89Å; D236-K238 PolarHBondContact OD2-NZ 3.44Å
237G87.7Confident93.1Very high50 Ų5074 Ų7452%0.51537%0.367SS..SBendtrans77.59.1176.900000114.9H233 T234 G235H233-G237 PolarHBondContact CD2-O 3.37Å; H233-G237 VanDerWaalsContact CD2-O 3.29Å; T234-G237 PolarHBondContact O-N 3.29Å; G235-G237 PolarHBondContact O-N 3.2Å
238K92.8Very high93.2Very high131 Ų13177 Ų7757%0.5738%0.381SS*.  trans-77.4145.6173.7-65.5-177.1-174.8122.10111.5H233 T234 D236 R240H233-K238 CarbonylContact C-O 3.16Å; H233-K238 WeakPolarHBondContact CA-O 3.35Å; T234-K238 PolarHBondContact N-O 3.09Å; T234-K238 WeakPolarHBondContact OG1-CB 3.39Å; T234-K238 PolarHBondContact OG1-N 3.15Å; T234-K238 PolarHBondContact OG1-O 2.95Å; D236-K238 VanDerWaalsContact C-N 3.31Å; D236-K238 PolarHBondContact O-N 2.73Å; D236-K238 PolarHBondContact OD1-N 3.44Å; D236-K238 VanDerWaalsContact OD2-CD 3.29Å; D236-K238 WeakPolarHBondContact OD2-CD 3.47Å; D236-K238 VanDerWaalsContact OD2-CE 3.3Å; D236-K238 WeakPolarHBondContact OD2-CE 3.42Å; D236-K238 WeakPolarHBondContact OD2-CG 3.08Å; D236-K238 IonicContact OD2-NZ 3.89Å; D236-K238 PolarHBondContact OD2-NZ 3.44Å; K238-R240 PolarHBondContact O-N 2.87Å
239P95.2Very high93.3Very high72 Ų7281 Ų8147%0.46840%0.4SS..BIsolated β-bridgetrans-57.5133.9170.4-26.136000111.6Y241P239-Y241 VanDerWaalsContact C-N 3.25Å; P239-Y241 PolarHBondContact O-N 3.24Å
240R94.4Very high93.4Very high119 Ų11978.2 Ų78.245%0.44939%0.391SS..SBendtrans-73-17.3174.5-74.8179.2178.9-85.29.4113.8S230 L231 S232 H233 T234 K238S230-R240 PolarHBondContact O-NE 2.97Å; S230-R240 PolarHBondContact O-NH2 3.4Å; L231-R240 WeakPolarHBondContact O-CD 3.2Å; S232-R240 PolarHBondContact O-N 2.87Å; H233-R240 PolarHBondContact O-NE 3.44Å; T234-R240 HydrophobicContact CG2-CG 3.79Å; K238-R240 PolarHBondContact O-N 2.87Å
241Y95.1Very high93.6Very high59 Ų5978.7 Ų78.723%0.23139%0.393CS..  trans-137127-172.6-52.5-66.7000110.3P239 T243 K246 F250P239-Y241 VanDerWaalsContact C-N 3.25Å; P239-Y241 PolarHBondContact O-N 3.24Å; Y241-T243 VanDerWaalsContact C-N 3.32Å; Y241-K246 HydrophobicContact CD1-CD 3.61Å; Y241-K246 HydrophobicContact CD1-CG 4.17Å; Y241-K246 HydrophobicContact CD2-CG 4.26Å; Y241-K246 HydrophobicContact CE1-CD 4.15Å; Y241-K246 HydrophobicContact CG-CD 3.85Å; Y241-K246 HydrophobicContact CG-CG 3.93Å; Y241-F250 HydrophobicContact CD2-CB 4.34Å; Y241-F250 AromaticContact CD2-CD2 3.52Å; Y241-F250 HydrophobicContact CD2-CD2 3.52Å; Y241-F250 HydrophobicContact CD2-CE2 4.08Å; Y241-F250 HydrophobicContact CD2-CG 4.1Å; Y241-F250 HydrophobicContact CE1-CE2 4.35Å; Y241-F250 HydrophobicContact CE2-CB 4.04Å; Y241-F250 HydrophobicContact CE2-CD1 4.1Å; Y241-F250 AromaticContact CE2-CD2 3.06Å; Y241-F250 HydrophobicContact CE2-CD2 3.06Å; Y241-F250 HydrophobicContact CE2-CE1 4.33Å; Y241-F250 AromaticContact CE2-CE2 3.38Å; Y241-F250 HydrophobicContact CE2-CE2 3.38Å; Y241-F250 AromaticContact CE2-CG 3.47Å; Y241-F250 HydrophobicContact CE2-CG 3.47Å; Y241-F250 VanDerWaalsContact CE2-CG 3.47Å; Y241-F250 HydrophobicContact CE2-CZ 4.01Å; Y241-F250 AromaticContact CZ-CD2 3.75Å; Y241-F250 AromaticContact CZ-CE2 3.52Å; Y241-F250 AromaticContact CZ-CZ 3.89Å; Y241-F250 WeakPolarHBondContact OH-CZ 3.42Å
242D93.4Very high93.7Very high169 Ų16979.5 Ų79.590%0.90440%0.396SS*.SBendtrans-76-22.7177.7-55.1-47.9000112.6F244D242-F244 PolarHBondContact O-N 3.31Å
243T96.3Very high93.7Very high88 Ų8883.7 Ų83.754%0.5442%0.417SS..SBendtrans-77.3118.2-179.7-49.40000110.9Y241 W245 K246 H247Y241-T243 VanDerWaalsContact C-N 3.32Å; T243-W245 PolarHBondContact O-N 2.85Å; T243-K246 HydrophobicContact CG2-CB 4.36Å; T243-K246 PolarHBondContact O-N 3.48Å; T243-K246 VanDerWaalsContact O-N 3.1Å; T243-H247 PolarHBondContact O-N 3.09Å
244F95Very high93.8Very high140 Ų14082 Ų8261%0.61441%0.409SS*.Hα-helixtrans-47.6-54.3-178.4177.2-95.9000113.5D242 K246 H247 F248D242-F244 PolarHBondContact O-N 3.31Å; F244-K246 PolarHBondContact O-N 2.85Å; F244-H247 PolarHBondContact O-N 3.14Å; F244-F248 VanDerWaalsContact O-CB 3.31Å; F244-F248 WeakPolarHBondContact O-CB 3.31Å; F244-F248 PolarHBondContact O-N 3.48Å
245W95.2Very high94.1Very high180 Ų18083.9 Ų83.968%0.68242%0.417SS*.Hα-helixtrans-63.4-40.1-177.9-73.2114.4000113T243 I249T243-W245 PolarHBondContact O-N 2.85Å; W245-I249 VanDerWaalsContact O-CG1 3.29Å; W245-I249 WeakPolarHBondContact O-CG1 3.39Å; W245-I249 PolarHBondContact O-N 2.64Å
246K95.9Very high94.7Very high100 Ų10088.4 Ų88.444%0.43544%0.436SS..Hα-helixtrans-64.7-50.1177.7-169.8176.9-177.9-175.40109.8Y241 T243 F244 F248 I249 F250Y241-K246 HydrophobicContact CD1-CD 3.61Å; Y241-K246 HydrophobicContact CD1-CG 4.17Å; Y241-K246 HydrophobicContact CD2-CG 4.26Å; Y241-K246 HydrophobicContact CE1-CD 4.15Å; Y241-K246 HydrophobicContact CG-CD 3.85Å; Y241-K246 HydrophobicContact CG-CG 3.93Å; T243-K246 HydrophobicContact CG2-CB 4.36Å; T243-K246 PolarHBondContact O-N 3.48Å; T243-K246 VanDerWaalsContact O-N 3.1Å; F244-K246 PolarHBondContact O-N 2.85Å; K246-F248 PolarHBondContact O-N 2.97Å; K246-I249 PolarHBondContact O-N 2.82Å; K246-F250 HydrophobicContact CG-CD2 4.08Å; K246-F250 HydrophobicContact CG-CE2 3.95Å; K246-F250 VanDerWaalsContact O-CD2 3.24Å; K246-F250 WeakPolarHBondContact O-CD2 3.41Å; K246-F250 PolarHBondContact O-N 3.46Å; K246-F250 VanDerWaalsContact O-N 3.16Å
247H96.6Very high95.2Very high38 Ų3886.5 Ų86.518%0.17643%0.425CS..Hα-helixtrans-58.8-47177.5-176.770.7000111.8S232 H233 T243 F244 I249 F250 V251S232-H247 PolarHBondContact O-CE1 3.39Å; S232-H247 PolarHBondContact O-ND1 2.9Å; H233-H247 AromaticContact CE1-CE1 3.5Å; H233-H247 PolarHBondContact CE1-CE1 2.79Å; H233-H247 VanDerWaalsContact CE1-CE1 3.5Å; H233-H247 AromaticContact CE1-NE2 3.78Å; H233-H247 AromaticContact NE2-CE1 3.63Å; H233-H247 AromaticContact NE2-NE2 3.89Å; T243-H247 PolarHBondContact O-N 3.09Å; F244-H247 PolarHBondContact O-N 3.14Å; H247-I249 VanDerWaalsContact C-N 3.33Å; H247-I249 PolarHBondContact O-N 3.07Å; H247-F250 PolarHBondContact O-N 3.03Å; H247-F250 VanDerWaalsContact O-N 3.08Å; H247-V251 WeakPolarHBondContact O-CG2 3.45Å; H247-V251 PolarHBondContact O-N 3.29Å
248F96.9Very high95.5Very high93 Ų9386.8 Ų86.841%0.40842%0.415SS..Hα-helixtrans-55.9-44.7177.4177.9-96.4000112.6F244 K246 F250 V251 M252F244-F248 VanDerWaalsContact O-CB 3.31Å; F244-F248 WeakPolarHBondContact O-CB 3.31Å; F244-F248 PolarHBondContact O-N 3.48Å; K246-F248 PolarHBondContact O-N 2.97Å; F248-F250 VanDerWaalsContact C-N 3.34Å; F248-F250 PolarHBondContact O-N 3.35Å; F248-V251 PolarHBondContact O-N 2.79Å; F248-M252 HydrophobicContact CD1-CG 4.41Å; F248-M252 HydrophobicContact CE1-CG 3.94Å; F248-M252 HydrophobicContact CZ-CG 3.99Å; F248-M252 HydrophobicContact CZ-SD 4.22Å; F248-M252 WeakPolarHBondContact O-CG 3.38Å; F248-M252 PolarHBondContact O-N 2.89Å
249I97Very high95.6Very high94 Ų9486 Ų8648%0.48241%0.408SS..Hα-helixtrans-59.5-46.2176-71.1165.4000110.6W245 K246 H247 V251 M252 M253W245-I249 VanDerWaalsContact O-CG1 3.29Å; W245-I249 WeakPolarHBondContact O-CG1 3.39Å; W245-I249 PolarHBondContact O-N 2.64Å; K246-I249 PolarHBondContact O-N 2.82Å; H247-I249 VanDerWaalsContact C-N 3.33Å; H247-I249 PolarHBondContact O-N 3.07Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-V251 PolarHBondContact O-N 3.2Å; I249-M252 WeakPolarHBondContact O-CB 3.26Å; I249-M252 PolarHBondContact O-N 3.5Å; I249-M253 HydrophobicContact CG2-CG 4.47Å; I249-M253 HydrophobicContact CG2-SD 4.36Å; I249-M253 WeakPolarHBondContact O-CG 3.36Å; I249-M253 PolarHBondContact O-N 3.01Å
250F97Very high95.4Very high48 Ų4883.7 Ų83.721%0.21139%0.394CS..Hα-helixtrans-68.1-32.3179.5-79.8-75.5000113.3L231 Y241 K246 H247 F248 M252 M253 D254L231-F250 HydrophobicContact CB-CD1 3.96Å; Y241-F250 HydrophobicContact CD2-CB 4.34Å; Y241-F250 AromaticContact CD2-CD2 3.52Å; Y241-F250 HydrophobicContact CD2-CD2 3.52Å; Y241-F250 HydrophobicContact CD2-CE2 4.08Å; Y241-F250 HydrophobicContact CD2-CG 4.1Å; Y241-F250 HydrophobicContact CE1-CE2 4.35Å; Y241-F250 HydrophobicContact CE2-CB 4.04Å; Y241-F250 HydrophobicContact CE2-CD1 4.1Å; Y241-F250 AromaticContact CE2-CD2 3.06Å; Y241-F250 HydrophobicContact CE2-CD2 3.06Å; Y241-F250 HydrophobicContact CE2-CE1 4.33Å; Y241-F250 AromaticContact CE2-CE2 3.38Å; Y241-F250 HydrophobicContact CE2-CE2 3.38Å; Y241-F250 AromaticContact CE2-CG 3.47Å; Y241-F250 HydrophobicContact CE2-CG 3.47Å; Y241-F250 VanDerWaalsContact CE2-CG 3.47Å; Y241-F250 HydrophobicContact CE2-CZ 4.01Å; Y241-F250 AromaticContact CZ-CD2 3.75Å; Y241-F250 AromaticContact CZ-CE2 3.52Å; Y241-F250 AromaticContact CZ-CZ 3.89Å; Y241-F250 WeakPolarHBondContact OH-CZ 3.42Å; K246-F250 HydrophobicContact CG-CD2 4.08Å; K246-F250 HydrophobicContact CG-CE2 3.95Å; K246-F250 VanDerWaalsContact O-CD2 3.24Å; K246-F250 WeakPolarHBondContact O-CD2 3.41Å; K246-F250 PolarHBondContact O-N 3.46Å; K246-F250 VanDerWaalsContact O-N 3.16Å; H247-F250 PolarHBondContact O-N 3.03Å; H247-F250 VanDerWaalsContact O-N 3.08Å; F248-F250 VanDerWaalsContact C-N 3.34Å; F248-F250 PolarHBondContact O-N 3.35Å; F250-M252 VanDerWaalsContact C-N 3.34Å; F250-M253 HydrophobicContact CD1-SD 4.12Å; F250-M253 HydrophobicContact CE1-SD 4.22Å; F250-M253 PolarHBondContact O-N 3.38Å; F250-D254 PolarHBondContact O-N 3.11Å
251V97.2Very high95.3Very high29 Ų2978.1 Ų78.118%0.17637%0.373CS..Hα-helixtrans-61.9-43.3170.5171.50000110.4W229 H247 F248 I249 M253 D254 I255W229-V251 HydrophobicContact CZ3-CG1 3.93Å; H247-V251 WeakPolarHBondContact O-CG2 3.45Å; H247-V251 PolarHBondContact O-N 3.29Å; F248-V251 PolarHBondContact O-N 2.79Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-V251 PolarHBondContact O-N 3.2Å; V251-M253 VanDerWaalsContact C-N 3.33Å; V251-M253 PolarHBondContact O-N 3.46Å; V251-D254 PolarHBondContact O-N 2.91Å; V251-I255 WeakPolarHBondContact O-CG1 3.34Å; V251-I255 PolarHBondContact O-N 2.8Å; V251-I255 VanDerWaalsContact O-N 3.11Å
252M97.1Very high95.1Very high74 Ų7476.4 Ų76.437%0.36537%0.367SS..Hα-helixtrans-63-40173.3-66-62.189.800112.3F248 I249 F250 D254 I255 L256F248-M252 HydrophobicContact CD1-CG 4.41Å; F248-M252 HydrophobicContact CE1-CG 3.94Å; F248-M252 HydrophobicContact CZ-CG 3.99Å; F248-M252 HydrophobicContact CZ-SD 4.22Å; F248-M252 WeakPolarHBondContact O-CG 3.38Å; F248-M252 PolarHBondContact O-N 2.89Å; I249-M252 WeakPolarHBondContact O-CB 3.26Å; I249-M252 PolarHBondContact O-N 3.5Å; F250-M252 VanDerWaalsContact C-N 3.34Å; M252-D254 VanDerWaalsContact C-N 3.34Å; M252-D254 PolarHBondContact O-N 3.17Å; M252-I255 HydrophobicContact CE-CD1 3.45Å; M252-I255 VanDerWaalsContact CE-CD1 3.45Å; M252-I255 HydrophobicContact CE-CG1 4.43Å; M252-I255 PolarHBondContact O-N 3.22Å; M252-L256 WeakPolarHBondContact O-CG 3.33Å; M252-L256 PolarHBondContact O-N 3.14Å
253M96.3Very high94.9Very high89 Ų8970.5 Ų70.544%0.43834%0.336SS..Hα-helixtrans-63.9-37.9174.8-67.8-173.375.500112.4L231 I249 F250 V251 L256 L257L231-M253 HydrophobicContact CD1-CB 3.81Å; I249-M253 HydrophobicContact CG2-CG 4.47Å; I249-M253 HydrophobicContact CG2-SD 4.36Å; I249-M253 WeakPolarHBondContact O-CG 3.36Å; I249-M253 PolarHBondContact O-N 3.01Å; F250-M253 HydrophobicContact CD1-SD 4.12Å; F250-M253 HydrophobicContact CE1-SD 4.22Å; F250-M253 PolarHBondContact O-N 3.38Å; V251-M253 VanDerWaalsContact C-N 3.33Å; V251-M253 PolarHBondContact O-N 3.46Å; M253-L256 PolarHBondContact O-N 3.42Å; M253-L257 VanDerWaalsContact O-CB 3.25Å; M253-L257 WeakPolarHBondContact O-CB 3.37Å; M253-L257 PolarHBondContact O-N 3.19Å
254D96.2Very high94.6Very high5 Ų568.8 Ų68.83%0.02732%0.323CS..Hα-helixtrans-63.8-43.4175.4-83.1-49.6000112.2W229 S230 L231 S232 F250 V251 M252 L256 L257 D258W229-D254 VanDerWaalsContact C-OD2 3.27Å; W229-D254 WeakPolarHBondContact CA-OD1 3.25Å; W229-D254 VanDerWaalsContact CA-OD2 3.28Å; W229-D254 WeakPolarHBondContact CA-OD2 3.47Å; W229-D254 HydrophobicContact CE3-CB 3.85Å; W229-D254 HydrophobicContact CZ3-CB 4.3Å; S230-D254 PolarHBondContact N-OD1 3.06Å; S230-D254 VanDerWaalsContact N-OD1 3.17Å; L231-D254 VanDerWaalsContact CB-OD1 3.32Å; L231-D254 WeakPolarHBondContact CB-OD1 3.46Å; L231-D254 WeakPolarHBondContact CG-OD1 3.44Å; L231-D254 PolarHBondContact N-OD1 3.31Å; L231-D254 PolarHBondContact N-OD2 3.42Å; S232-D254 WeakPolarHBondContact CB-OD2 3.28Å; S232-D254 PolarHBondContact N-OD2 2.79Å; S232-D254 PolarHBondContact OG-OD2 2.93Å; F250-D254 PolarHBondContact O-N 3.11Å; V251-D254 PolarHBondContact O-N 2.91Å; M252-D254 VanDerWaalsContact C-N 3.34Å; M252-D254 PolarHBondContact O-N 3.17Å; D254-L256 VanDerWaalsContact C-N 3.32Å; D254-L256 PolarHBondContact O-N 3.07Å; D254-L257 PolarHBondContact O-N 3.3Å; D254-D258 WeakPolarHBondContact O-CB 3.47Å; D254-D258 PolarHBondContact O-N 3.29Å
255I95.8Very high94.5Very high84 Ų8463.4 Ų63.443%0.43130%0.3SS..Hα-helixtrans-60.8-44.7175.7-65.2178.9000110.5W229 V251 M252 W259W229-I255 HydrophobicContact CH2-CD1 4.4Å; W229-I255 HydrophobicContact CH2-CG1 3.94Å; W229-I255 HydrophobicContact CZ3-CD1 4.49Å; W229-I255 HydrophobicContact CZ3-CG1 3.89Å; V251-I255 WeakPolarHBondContact O-CG1 3.34Å; V251-I255 PolarHBondContact O-N 2.8Å; V251-I255 VanDerWaalsContact O-N 3.11Å; M252-I255 HydrophobicContact CE-CD1 3.45Å; M252-I255 VanDerWaalsContact CE-CD1 3.45Å; M252-I255 HydrophobicContact CE-CG1 4.43Å; M252-I255 PolarHBondContact O-N 3.22Å; I255-W259 VanDerWaalsContact O-CB 3.28Å; I255-W259 WeakPolarHBondContact O-CB 3.31Å; I255-W259 PolarHBondContact O-N 2.83Å
256L94.3Very high94.4Very high114 Ų11456 Ų5660%0.59727%0.272SS*.Hα-helixtrans-65.2-41.3177.7-71.2172.7000111.9M252 M253 D254 S260M252-L256 WeakPolarHBondContact O-CG 3.33Å; M252-L256 PolarHBondContact O-N 3.14Å; M253-L256 PolarHBondContact O-N 3.42Å; D254-L256 VanDerWaalsContact C-N 3.32Å; D254-L256 PolarHBondContact O-N 3.07Å; L256-S260 VanDerWaalsContact O-CB 3.31Å; L256-S260 WeakPolarHBondContact O-CB 3.33Å; L256-S260 PolarHBondContact O-N 3.03Å
257L94.1Very high94.2Very high40 Ų4052.7 Ų52.721%0.20926%0.257CS..Hα-helixtrans-63.6-51.4178.3179.160.4000110.4L231 M253 D254 W259 S260 M261L231-L257 HydrophobicContact CD1-CD2 4Å; L231-L257 HydrophobicContact CG-CD2 4.2Å; M253-L257 VanDerWaalsContact O-CB 3.25Å; M253-L257 WeakPolarHBondContact O-CB 3.37Å; M253-L257 PolarHBondContact O-N 3.19Å; D254-L257 PolarHBondContact O-N 3.3Å; L257-W259 VanDerWaalsContact C-N 3.35Å; L257-W259 PolarHBondContact O-N 3.4Å; L257-S260 PolarHBondContact O-N 2.69Å; L257-S260 VanDerWaalsContact O-N 3.09Å; L257-S260 PolarHBondContact O-OG 2.97Å; L257-M261 HydrophobicContact CD1-CE 4.04Å; L257-M261 HydrophobicContact CD1-CG 4.34Å; L257-M261 WeakPolarHBondContact O-CG 3.25Å; L257-M261 PolarHBondContact O-N 3.46Å
258D94.6Very high94.1Very high56 Ų5652.8 Ų52.830%0.29926%0.259SS..Hα-helixtrans-58.1-46.9178-174.276.9000111.5H226 D254 S260 M261 H262H226-D258 IonicContact CD2-OD1 3.7Å; H226-D258 IonicContact CE1-OD1 3.22Å; H226-D258 IonicContact NE2-OD1 3.62Å; H226-D258 PolarHBondContact NE2-OD1 2.95Å; D254-D258 WeakPolarHBondContact O-CB 3.47Å; D254-D258 PolarHBondContact O-N 3.29Å; D258-S260 VanDerWaalsContact C-N 3.33Å; D258-S260 PolarHBondContact O-N 3.34Å; D258-M261 PolarHBondContact O-N 2.86Å; D258-H262 PolarHBondContact O-N 3.24Å; D258-H262 VanDerWaalsContact O-N 3.15Å; D258-H262 PolarHBondContact O-ND1 2.84Å; D258-H262 IonicContact OD1-CE1 3.72Å; D258-H262 PolarHBondContact OD1-CE1 3.35Å; D258-H262 VanDerWaalsContact OD1-CE1 3.25Å; D258-H262 IonicContact OD1-ND1 3.48Å; D258-H262 IonicContact OD2-CE1 2.82Å; D258-H262 IonicContact OD2-ND1 3.15Å
259W93.2Very high94Very high114 Ų11448.4 Ų48.443%0.43224%0.239SC..Hα-helixtrans-58.9-44.9174.1178.987.7000111.6I255 L257 M261 H262 N263 I264I255-W259 VanDerWaalsContact O-CB 3.28Å; I255-W259 WeakPolarHBondContact O-CB 3.31Å; I255-W259 PolarHBondContact O-N 2.83Å; L257-W259 VanDerWaalsContact C-N 3.35Å; L257-W259 PolarHBondContact O-N 3.4Å; W259-M261 PolarHBondContact O-N 2.83Å; W259-H262 PolarHBondContact O-N 3.12Å; W259-N263 VanDerWaalsContact CD1-ND2 3.34Å; W259-N263 HydrophobicContact CD2-CB 4.48Å; W259-N263 HydrophobicContact CZ2-CB 4.28Å; W259-N263 PolarHBondContact NE1-ND2 3.21Å; W259-N263 VanDerWaalsContact O-CB 3.31Å; W259-N263 WeakPolarHBondContact O-CB 3.28Å; W259-N263 PolarHBondContact O-N 3.46Å; W259-N263 PolarHBondContact O-ND2 3.43Å; W259-I264 HydrophobicContact CH2-CD1 3.68Å; W259-I264 HydrophobicContact CH2-CG1 4.35Å; W259-I264 HydrophobicContact CZ3-CD1 3.58Å; W259-I264 HydrophobicContact CZ3-CG1 4.35Å
260S92.1Very high93.8Very high25 Ų2543.9 Ų43.918%0.17522%0.216CC..Hα-helixtrans-65.2-39.4-179.7840000112.1L256 L257 D258 H262 N263 I264 L265L256-S260 VanDerWaalsContact O-CB 3.31Å; L256-S260 WeakPolarHBondContact O-CB 3.33Å; L256-S260 PolarHBondContact O-N 3.03Å; L257-S260 PolarHBondContact O-N 2.69Å; L257-S260 VanDerWaalsContact O-N 3.09Å; L257-S260 PolarHBondContact O-OG 2.97Å; D258-S260 VanDerWaalsContact C-N 3.33Å; D258-S260 PolarHBondContact O-N 3.34Å; S260-H262 VanDerWaalsContact C-N 3.34Å; S260-H262 PolarHBondContact O-N 3.38Å; S260-N263 PolarHBondContact O-N 2.86Å; S260-I264 PolarHBondContact O-N 3.46Å; S260-L265 PolarHBondContact O-N 2.98Å; S260-L265 WeakPolarHBondContact OG-CD1 3.36Å
261M91.8Very high93.8Very high1 Ų141.6 Ų41.61%0.00521%0.206CC..Iπ-helixtrans-57.7-47.7176.8-75.3-68.3-168.700110.7P207 L224 L257 D258 W259 L265 W266P207-M261 HydrophobicContact CG-CE 3.78Å; P207-M261 HydrophobicContact CG-SD 4.49Å; L224-M261 HydrophobicContact CB-SD 4.31Å; L224-M261 HydrophobicContact CD1-SD 3.8Å; L224-M261 HydrophobicContact CD2-CE 4.36Å; L224-M261 HydrophobicContact CD2-SD 4.3Å; L224-M261 HydrophobicContact CG-SD 4.35Å; L257-M261 HydrophobicContact CD1-CE 4.04Å; L257-M261 HydrophobicContact CD1-CG 4.34Å; L257-M261 WeakPolarHBondContact O-CG 3.25Å; L257-M261 PolarHBondContact O-N 3.46Å; D258-M261 PolarHBondContact O-N 2.86Å; W259-M261 PolarHBondContact O-N 2.83Å; M261-L265 HydrophobicContact CE-CD1 4.24Å; M261-L265 HydrophobicContact CG-CD1 4.15Å; M261-L265 HydrophobicContact SD-CB 4.31Å; M261-L265 HydrophobicContact SD-CD1 3.65Å; M261-W266 PolarHBondContact O-N 2.88Å
262H91.1Very high93.8Very high23 Ų2340.3 Ų40.311%0.10620%0.199CC..Iπ-helixtrans-83.3-17.1-173.6-66.684.5000114.4D258 W259 S260 W266 Y285 W289D258-H262 PolarHBondContact O-N 3.24Å; D258-H262 VanDerWaalsContact O-N 3.15Å; D258-H262 PolarHBondContact O-ND1 2.84Å; D258-H262 IonicContact OD1-CE1 3.72Å; D258-H262 PolarHBondContact OD1-CE1 3.35Å; D258-H262 VanDerWaalsContact OD1-CE1 3.25Å; D258-H262 IonicContact OD1-ND1 3.48Å; D258-H262 IonicContact OD2-CE1 2.82Å; D258-H262 IonicContact OD2-ND1 3.15Å; W259-H262 PolarHBondContact O-N 3.12Å; S260-H262 VanDerWaalsContact C-N 3.34Å; S260-H262 PolarHBondContact O-N 3.38Å; H262-W266 PolarHBondContact O-NE1 2.86Å; H262-Y285 AromaticContact CD2-CE2 3.87Å; H262-Y285 AromaticContact NE2-CE2 3.36Å; H262-Y285 WeakPolarHBondContact NE2-CE2 3.42Å; H262-Y285 AromaticContact NE2-CZ 3.5Å; H262-Y285 PolarHBondContact NE2-OH 2.68Å; H262-W289 HydrophobicContact CB-CZ2 4.29Å; H262-W289 AromaticContact CD2-CZ2 3.39Å; H262-W289 WeakPolarHBondContact CD2-CZ2 3.14Å
263N88.4Confident93.8Very high45 Ų4536.8 Ų36.824%0.24118%0.181CC..Iπ-helixtrans-113.8-33.4-175.6-69.1-84.2000114.5L10 P13 W259 S260L10-N263 WeakPolarHBondContact CD2-O 3.46Å; P13-N263 HydrophobicContact CG-CB 4.06Å; P13-N263 WeakPolarHBondContact CG-OD1 3.44Å; W259-N263 VanDerWaalsContact CD1-ND2 3.34Å; W259-N263 HydrophobicContact CD2-CB 4.48Å; W259-N263 HydrophobicContact CZ2-CB 4.28Å; W259-N263 PolarHBondContact NE1-ND2 3.21Å; W259-N263 VanDerWaalsContact O-CB 3.31Å; W259-N263 WeakPolarHBondContact O-CB 3.28Å; W259-N263 PolarHBondContact O-N 3.46Å; W259-N263 PolarHBondContact O-ND2 3.43Å; S260-N263 PolarHBondContact O-N 2.86Å
264I90Very high93.8Very high52 Ų5232.6 Ų32.627%0.26716%0.161SC..Iπ-helixtrans-125.5-54.9-169.3-58.4178.1000111.6L42 W259 S260 W266 Y267 L268L42-I264 HydrophobicContact CD1-CG2 4.21Å; W259-I264 HydrophobicContact CH2-CD1 3.68Å; W259-I264 HydrophobicContact CH2-CG1 4.35Å; W259-I264 HydrophobicContact CZ3-CD1 3.58Å; W259-I264 HydrophobicContact CZ3-CG1 4.35Å; S260-I264 PolarHBondContact O-N 3.46Å; I264-W266 PolarHBondContact O-N 3.45Å; I264-Y267 PolarHBondContact O-N 2.86Å; I264-Y267 VanDerWaalsContact O-N 3.12Å; I264-L268 WeakPolarHBondContact O-CB 3.43Å; I264-L268 PolarHBondContact O-N 2.87Å
265L93.3Very high93.9Very high27 Ų2732.5 Ų32.514%0.14116%0.16CC..Iπ-helixtrans-65.6-38.4-167-66.6174.9000112.8P207 L224 S260 M261 Y267 L268 C269P207-L265 HydrophobicContact CB-CD1 4.14Å; P207-L265 HydrophobicContact CB-CD2 4.18Å; P207-L265 HydrophobicContact CG-CD1 3.68Å; L224-L265 HydrophobicContact CD1-CB 4.16Å; S260-L265 PolarHBondContact O-N 2.98Å; S260-L265 WeakPolarHBondContact OG-CD1 3.36Å; M261-L265 HydrophobicContact CE-CD1 4.24Å; M261-L265 HydrophobicContact CG-CD1 4.15Å; M261-L265 HydrophobicContact SD-CB 4.31Å; M261-L265 HydrophobicContact SD-CD1 3.65Å; L265-Y267 PolarHBondContact O-N 3.3Å; L265-L268 HydrophobicContact CD2-CD2 4.29Å; L265-L268 PolarHBondContact O-N 3.44Å; L265-C269 WeakPolarHBondContact O-CB 3.38Å; L265-C269 PolarHBondContact O-N 3.25Å; L265-C269 PolarHBondContact O-SG 3.1Å
266W93.3Very high94Very high25 Ų2528.6 Ų28.610%0.09514%0.14CC..Hα-helixtrans-56.5-39.4176.473.5-92.1000112.3M261 H262 I264 G270 I271 F274 W289 K292 I294M261-W266 PolarHBondContact O-N 2.88Å; H262-W266 PolarHBondContact O-NE1 2.86Å; I264-W266 PolarHBondContact O-N 3.45Å; W266-G270 PolarHBondContact O-N 2.86Å; W266-I271 HydrophobicContact CB-CD1 3.82Å; W266-I271 HydrophobicContact CB-CG1 3.9Å; W266-I271 PolarHBondContact O-N 2.72Å; W266-I271 VanDerWaalsContact O-N 3.14Å; W266-F274 HydrophobicContact CB-CE2 4.05Å; W266-F274 HydrophobicContact CB-CZ 3.82Å; W266-W289 HydrophobicContact CB-CH2 4.21Å; W266-W289 HydrophobicContact CB-CZ3 4.28Å; W266-W289 AromaticContact CD1-CH2 3.69Å; W266-W289 AromaticContact CD1-CZ3 4Å; W266-W289 HydrophobicContact CD2-CH2 4.36Å; W266-W289 AromaticContact CD2-CZ3 3.9Å; W266-W289 HydrophobicContact CD2-CZ3 3.9Å; W266-W289 HydrophobicContact CE3-CZ3 4.49Å; W266-W289 AromaticContact CG-CH2 3.83Å; W266-W289 HydrophobicContact CG-CH2 3.83Å; W266-W289 AromaticContact CG-CZ3 3.8Å; W266-W289 HydrophobicContact CG-CZ3 3.8Å; W266-K292 HydrophobicContact CH2-CD 4.07Å; W266-K292 HydrophobicContact CZ2-CD 4.05Å; W266-I294 HydrophobicContact CD2-CD1 4.03Å; W266-I294 HydrophobicContact CE3-CD1 3.34Å; W266-I294 HydrophobicContact CZ3-CD1 3.81Å
267Y92.1Very high94Very high31 Ų3124.7 Ų24.712%0.12212%0.119CC..Hα-helixtrans-79.9-44.7-178.1177.8-89.5000110.8L10 L42 R43 S46 I264 L265 C269 G270L10-Y267 HydrophobicContact CD1-CD1 3.62Å; L10-Y267 HydrophobicContact CD1-CD2 4.24Å; L10-Y267 HydrophobicContact CD1-CE1 3.62Å; L10-Y267 HydrophobicContact CD1-CE2 4.24Å; L10-Y267 HydrophobicContact CD1-CG 3.98Å; L10-Y267 HydrophobicContact CD2-CD1 4.22Å; L10-Y267 HydrophobicContact CD2-CG 4.18Å; L10-Y267 HydrophobicContact CG-CD1 4.29Å; L10-Y267 HydrophobicContact CG-CD2 4.47Å; L10-Y267 HydrophobicContact CG-CG 4.22Å; L42-Y267 HydrophobicContact CD1-CD1 4.15Å; L42-Y267 HydrophobicContact CD2-CD1 4.13Å; L42-Y267 HydrophobicContact CD2-CE1 4.42Å; L42-Y267 HydrophobicContact CG-CD1 3.98Å; L42-Y267 HydrophobicContact CG-CE1 4.02Å; R43-Y267 WeakPolarHBondContact CD-OH 3.45Å; R43-Y267 PolarHBondContact NE-OH 3.5Å; R43-Y267 PolarHBondContact NH1-OH 2.81Å; S46-Y267 VanDerWaalsContact OG-CE1 3.26Å; S46-Y267 WeakPolarHBondContact OG-CE1 3.15Å; S46-Y267 PolarHBondContact OG-OH 3.38Å; I264-Y267 PolarHBondContact O-N 2.86Å; I264-Y267 VanDerWaalsContact O-N 3.12Å; L265-Y267 PolarHBondContact O-N 3.3Å; Y267-C269 VanDerWaalsContact C-N 3.34Å; Y267-C269 PolarHBondContact O-N 3.44Å; Y267-G270 PolarHBondContact O-N 3.14Å
268L93.6Very high94.1Very high39 Ų3925 Ų2520%0.20412%0.118CC..Hα-helixtrans-58.4-47176.7-179.767.9000111L42 F45 S46 F47 Y211 I264 L265 G270L42-L268 HydrophobicContact CD1-CB 4.15Å; L42-L268 HydrophobicContact CD1-CD1 3.87Å; F45-L268 HydrophobicContact CB-CD1 4.11Å; S46-L268 WeakPolarHBondContact CA-O 3.29Å; F47-L268 PolarHBondContact N-O 2.82Å; F47-L268 VanDerWaalsContact N-O 3.12Å; Y211-L268 HydrophobicContact CD2-CD2 4.48Å; Y211-L268 HydrophobicContact CD2-CG 4.08Å; Y211-L268 HydrophobicContact CE2-CD1 3.99Å; Y211-L268 HydrophobicContact CE2-CG 3.95Å; I264-L268 WeakPolarHBondContact O-CB 3.43Å; I264-L268 PolarHBondContact O-N 2.87Å; L265-L268 HydrophobicContact CD2-CD2 4.29Å; L265-L268 PolarHBondContact O-N 3.44Å; L268-G270 VanDerWaalsContact C-N 3.33Å
269C95.1Very high94Very high1 Ų127.2 Ų27.21%0.00713%0.13CC..Hα-helixtrans-78.6-14.8179.1-66.80000113.1I210 R214 L265 Y267 I271I210-C269 HydrophobicContact CG2-CB 3.9Å; R214-C269 WeakPolarHBondContact CG-O 3.47Å; L265-C269 WeakPolarHBondContact O-CB 3.38Å; L265-C269 PolarHBondContact O-N 3.25Å; L265-C269 PolarHBondContact O-SG 3.1Å; Y267-C269 VanDerWaalsContact C-N 3.34Å; Y267-C269 PolarHBondContact O-N 3.44Å; C269-I271 VanDerWaalsContact C-N 3.32Å; C269-I271 HydrophobicContact CB-CG2 3.73Å; C269-I271 PolarHBondContact O-N 3.47Å
270G94.1Very high94Very high0 Ų025.8 Ų25.80%013%0.127CC..THydrogen-bonded Turntrans57.743.9-176.100000112.7F47 P49 W266 Y267 L268F47-G270 WeakPolarHBondContact O-CA 3.4Å; P49-G270 WeakPolarHBondContact CA-O 3.37Å; W266-G270 PolarHBondContact O-N 2.86Å; Y267-G270 PolarHBondContact O-N 3.14Å; L268-G270 VanDerWaalsContact C-N 3.33Å
271I96.1Very high94.2Very high0 Ų025.2 Ų25.20%012%0.123CC..  trans-70158-176.363.7168.5000112.4I210 L224 W266 C269 A273 F274 I294I210-I271 HydrophobicContact CG2-CG2 3.9Å; L224-I271 HydrophobicContact CB-CD1 4.16Å; L224-I271 HydrophobicContact CD1-CD1 3.93Å; L224-I271 HydrophobicContact CD1-CG2 3.89Å; L224-I271 HydrophobicContact CG-CD1 4.23Å; L224-I271 HydrophobicContact CG-CG2 3.81Å; W266-I271 HydrophobicContact CB-CD1 3.82Å; W266-I271 HydrophobicContact CB-CG1 3.9Å; W266-I271 PolarHBondContact O-N 2.72Å; W266-I271 VanDerWaalsContact O-N 3.14Å; C269-I271 VanDerWaalsContact C-N 3.32Å; C269-I271 HydrophobicContact CB-CG2 3.73Å; C269-I271 PolarHBondContact O-N 3.47Å; I271-A273 WeakPolarHBondContact CD1-O 3.37Å; I271-F274 HydrophobicContact CD1-CD1 4.17Å; I271-F274 HydrophobicContact CD1-CD2 3.86Å; I271-F274 HydrophobicContact CD1-CE1 3.89Å; I271-F274 HydrophobicContact CD1-CE2 3.52Å; I271-F274 HydrophobicContact CD1-CG 4.18Å; I271-F274 HydrophobicContact CD1-CZ 3.58Å; I271-I294 HydrophobicContact CG1-CD1 4.49Å
272S96.8Very high94.5Very high2 Ų227.4 Ų27.41%0.01414%0.138CC..SBendtrans-104.7-22.6177-57.10000112.7T222 I294 Q295T222-S272 PolarHBondContact O-N 2.97Å; S272-I294 WeakPolarHBondContact O-CA 3.32Å; S272-Q295 PolarHBondContact O-N 2.97Å
273A97.1Very high94.7Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-149.2160.5177.700000113.8L59 T222 A223 L224 I271 Q295L59-A273 HydrophobicContact CD1-CB 3.69Å; T222-A273 PolarHBondContact O-N 3.34Å; A223-A273 WeakPolarHBondContact CA-O 3.15Å; A223-A273 HydrophobicContact CB-CB 3.94Å; A223-A273 WeakPolarHBondContact CB-O 3.45Å; L224-A273 PolarHBondContact N-O 3.48Å; L224-A273 VanDerWaalsContact N-O 3.15Å; I271-A273 WeakPolarHBondContact CD1-O 3.37Å; A273-Q295 CarbonylContact C-O 3.51Å; A273-Q295 WeakPolarHBondContact CA-O 3.29Å; A273-Q295 HydrophobicContact CB-CB 4.12Å
274F97.7Very high95.1Very high0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-105.2134.7160.5-81.4-78.8000110.1L224 W266 I271 M276 W289 I294 Q295 V296 V297L224-F274 HydrophobicContact CB-CD1 4.03Å; L224-F274 HydrophobicContact CB-CE1 3.93Å; L224-F274 HydrophobicContact CD1-CE1 4.39Å; L224-F274 WeakPolarHBondContact O-CA 3.27Å; W266-F274 HydrophobicContact CB-CE2 4.05Å; W266-F274 HydrophobicContact CB-CZ 3.82Å; I271-F274 HydrophobicContact CD1-CD1 4.17Å; I271-F274 HydrophobicContact CD1-CD2 3.86Å; I271-F274 HydrophobicContact CD1-CE1 3.89Å; I271-F274 HydrophobicContact CD1-CE2 3.52Å; I271-F274 HydrophobicContact CD1-CG 4.18Å; I271-F274 HydrophobicContact CD1-CZ 3.58Å; F274-M276 HydrophobicContact CB-CE 4.14Å; F274-M276 HydrophobicContact CD1-CE 4.02Å; F274-M276 HydrophobicContact CG-CE 4.26Å; F274-W289 HydrophobicContact CD2-CD2 4.04Å; F274-W289 AromaticContact CD2-CE2 3.83Å; F274-W289 HydrophobicContact CD2-CE3 4.39Å; F274-W289 HydrophobicContact CD2-CG 4.48Å; F274-W289 HydrophobicContact CD2-CH2 4.4Å; F274-W289 AromaticContact CD2-CZ2 3.98Å; F274-W289 HydrophobicContact CD2-CZ2 3.98Å; F274-W289 AromaticContact CE2-CD2 3.9Å; F274-W289 HydrophobicContact CE2-CD2 3.9Å; F274-W289 AromaticContact CE2-CE2 3.56Å; F274-W289 AromaticContact CE2-CE3 3.94Å; F274-W289 HydrophobicContact CE2-CE3 3.94Å; F274-W289 AromaticContact CE2-CH2 3.37Å; F274-W289 HydrophobicContact CE2-CH2 3.37Å; F274-W289 AromaticContact CE2-CZ2 3.24Å; F274-W289 HydrophobicContact CE2-CZ2 3.24Å; F274-W289 AromaticContact CE2-CZ3 3.71Å; F274-W289 HydrophobicContact CE2-CZ3 3.71Å; F274-W289 AromaticContact CZ-CH2 3.83Å; F274-W289 HydrophobicContact CZ-CH2 3.83Å; F274-W289 AromaticContact CZ-CZ2 3.74Å; F274-W289 HydrophobicContact CZ-CZ2 3.74Å; F274-I294 HydrophobicContact CD2-CG2 3.88Å; F274-I294 HydrophobicContact CE2-CG2 4.31Å; F274-Q295 PolarHBondContact N-O 2.98Å; F274-V296 CarbonylContact O-C 3.41Å; F274-V296 WeakPolarHBondContact O-CA 3.23Å; F274-V297 PolarHBondContact O-N 3.12Å
275L97.9Very high95.3Very high4 Ų429.6 Ų29.62%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-96102.7161.8-86.863.4000106.7F172 C203 A223 L224 T225 H226 V297 W299 I319F172-L275 HydrophobicContact CD1-CD1 4.41Å; F172-L275 HydrophobicContact CD1-CD2 4.35Å; F172-L275 HydrophobicContact CE1-CD1 4.39Å; C203-L275 HydrophobicContact CB-CD1 4.44Å; C203-L275 HydrophobicContact CB-CD2 3.88Å; A223-L275 HydrophobicContact CB-CD1 3.54Å; L224-L275 PolarHBondContact O-N 3.49Å; T225-L275 CarbonylContact C-O 3.53Å; T225-L275 WeakPolarHBondContact CA-O 3.31Å; T225-L275 HydrophobicContact CG2-CB 3.91Å; H226-L275 PolarHBondContact N-O 2.91Å; L275-V297 CarbonylContact C-O 3.49Å; L275-V297 WeakPolarHBondContact CA-O 3.4Å; L275-V297 HydrophobicContact CD1-CB 4.23Å; L275-V297 HydrophobicContact CD1-CG2 4.42Å; L275-V297 HydrophobicContact CG-CB 4.23Å; L275-W299 PolarHBondContact O-NE1 3.22Å; L275-I319 HydrophobicContact CD2-CD1 3.64Å; L275-I319 HydrophobicContact CG-CD1 4.09Å
276M97.3Very high95.4Very high2 Ų229.5 Ų29.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-107.4140.3-171.3-167.158.24800111.5H226 F274 K278 F280 V281 Y285 V296 V297 G298 W299H226-M276 HydrophobicContact CB-CE 3.75Å; H226-M276 HydrophobicContact CB-SD 4.19Å; F274-M276 HydrophobicContact CB-CE 4.14Å; F274-M276 HydrophobicContact CD1-CE 4.02Å; F274-M276 HydrophobicContact CG-CE 4.26Å; M276-K278 PolarHBondContact O-N 2.92Å; M276-F280 HydrophobicContact CG-CB 4.16Å; M276-F280 HydrophobicContact SD-CB 4.41Å; M276-V281 HydrophobicContact CB-CG2 3.88Å; M276-V281 HydrophobicContact CG-CG2 3.99Å; M276-Y285 HydrophobicContact CE-CE1 4.32Å; M276-Y285 WeakPolarHBondContact CE-OH 3.17Å; M276-Y285 HydrophobicContact CG-CE1 4.29Å; M276-V296 HydrophobicContact CB-CG1 4.06Å; M276-V297 PolarHBondContact N-O 3.16Å; M276-G298 CarbonylContact O-C 3.14Å; M276-G298 VanDerWaalsContact O-CA 3.32Å; M276-G298 WeakPolarHBondContact O-CA 3.26Å; M276-W299 VanDerWaalsContact C-CD1 3.42Å; M276-W299 VanDerWaalsContact C-NE1 3.26Å; M276-W299 PolarHBondContact O-N 2.95Å
277Q95.4Very high95.5Very high31 Ų3135.9 Ų35.915%0.14519%0.191CC..EExtended strand (participates in β ladder)trans-54.1133.7168.9-178.8-173.30.200110.4H226 R227 D279 F280 W299H226-Q277 PolarHBondContact O-N 3.02Å; R227-Q277 HydrophobicContact CB-CB 4.49Å; R227-Q277 HydrophobicContact CG-CB 4.01Å; R227-Q277 HydrophobicContact CG-CG 4.32Å; Q277-D279 VanDerWaalsContact C-N 3.26Å; Q277-D279 PolarHBondContact NE2-OD2 2.97Å; Q277-D279 PolarHBondContact O-N 2.87Å; Q277-D279 VanDerWaalsContact O-N 3.13Å; Q277-F280 HydrophobicContact CB-CD2 4.09Å; Q277-F280 HydrophobicContact CG-CD2 4.24Å; Q277-F280 PolarHBondContact O-N 2.77Å; Q277-F280 VanDerWaalsContact OE1-CE2 3.29Å; Q277-W299 CarbonylContact C-O 3.49Å; Q277-W299 VanDerWaalsContact CA-O 3.3Å; Q277-W299 WeakPolarHBondContact CA-O 3.38Å; Q277-W299 HydrophobicContact CB-CZ2 4.4Å
278K94.5Very high95.5Very high46 Ų4637.3 Ų37.320%0.220%0.197CC..G310 helixtrans-54.1-38.6-169.568179.5176.176.60114.6M276 F280 V281 W299 T300 V301 E306 Y310M276-K278 PolarHBondContact O-N 2.92Å; K278-F280 PolarHBondContact O-N 3.46Å; K278-F280 VanDerWaalsContact O-N 3.1Å; K278-V281 PolarHBondContact O-N 3.42Å; K278-V281 VanDerWaalsContact O-N 3.1Å; K278-W299 PolarHBondContact N-O 3.49Å; K278-T300 WeakPolarHBondContact CD-O 3.45Å; K278-V301 HydrophobicContact CB-CG2 3.97Å; K278-V301 HydrophobicContact CD-CG2 4.31Å; K278-E306 VanDerWaalsContact CE-OE1 3.23Å; K278-E306 WeakPolarHBondContact CE-OE1 3.48Å; K278-E306 IonicContact NZ-OE1 2.83Å; K278-E306 PolarHBondContact NZ-OE1 3.48Å; K278-Y310 WeakPolarHBondContact CA-OH 3.49Å; K278-Y310 HydrophobicContact CB-CE2 4.26Å; K278-Y310 VanDerWaalsContact CB-OH 3.32Å; K278-Y310 WeakPolarHBondContact CB-OH 3.43Å; K278-Y310 PolarHBondContact O-OH 3.49Å
279D92.5Very high95.6Very high103 Ų10335.4 Ų35.455%0.55119%0.188SC*.G310 helixtrans-70.7-9.6-175.2-48-49.2000113Q277Q277-D279 VanDerWaalsContact C-N 3.26Å; Q277-D279 PolarHBondContact NE2-OD2 2.97Å; Q277-D279 PolarHBondContact O-N 2.87Å; Q277-D279 VanDerWaalsContact O-N 3.13Å
280F94.5Very high95.4Very high85 Ų8538.6 Ų38.637%0.37321%0.21SC..G310 helixtrans-1077.6177.9-64.5-87.5000113.1P228 M276 Q277 K278P228-F280 HydrophobicContact CB-CD1 4.26Å; P228-F280 HydrophobicContact CB-CD2 4.43Å; P228-F280 HydrophobicContact CB-CE1 3.85Å; P228-F280 HydrophobicContact CB-CE2 4.04Å; P228-F280 HydrophobicContact CB-CZ 3.73Å; P228-F280 HydrophobicContact CG-CB 4.38Å; P228-F280 HydrophobicContact CG-CD1 3.72Å; P228-F280 HydrophobicContact CG-CD2 3.79Å; P228-F280 HydrophobicContact CG-CE1 3.84Å; P228-F280 HydrophobicContact CG-CE2 3.92Å; P228-F280 HydrophobicContact CG-CG 3.68Å; P228-F280 HydrophobicContact CG-CZ 3.94Å; M276-F280 HydrophobicContact CG-CB 4.16Å; M276-F280 HydrophobicContact SD-CB 4.41Å; Q277-F280 HydrophobicContact CB-CD2 4.09Å; Q277-F280 HydrophobicContact CG-CD2 4.24Å; Q277-F280 PolarHBondContact O-N 2.77Å; Q277-F280 VanDerWaalsContact OE1-CE2 3.29Å; K278-F280 PolarHBondContact O-N 3.46Å; K278-F280 VanDerWaalsContact O-N 3.1Å
281V96.8Very high95.3Very high12 Ų1242.7 Ų42.77%0.07324%0.244CC..  trans-96.6123.2176.7-174.10000110.2M276 K278 L286 V296 Y310 L314M276-V281 HydrophobicContact CB-CG2 3.88Å; M276-V281 HydrophobicContact CG-CG2 3.99Å; K278-V281 PolarHBondContact O-N 3.42Å; K278-V281 VanDerWaalsContact O-N 3.1Å; V281-L286 HydrophobicContact CG1-CD1 4.37Å; V281-L286 HydrophobicContact CG1-CD2 3.83Å; V281-L286 HydrophobicContact CG1-CG 4.07Å; V281-V296 HydrophobicContact CG1-CG1 4.36Å; V281-V296 HydrophobicContact CG2-CG1 4.19Å; V281-Y310 WeakPolarHBondContact CB-OH 3.49Å; V281-Y310 HydrophobicContact CG1-CE1 4.32Å; V281-Y310 WeakPolarHBondContact CG2-OH 3.31Å; V281-L314 HydrophobicContact CG1-CD1 3.96Å
282S96.2Very high94.9Very high48 Ų4845.4 Ų45.434%0.33626%0.255SS..  trans-135.2161176.367.30000111.3A284 Y285 L286S282-A284 PolarHBondContact O-N 2.88Å; S282-Y285 WeakPolarHBondContact O-CA 3.46Å; S282-Y285 WeakPolarHBondContact O-CB 3.31Å; S282-Y285 PolarHBondContact O-N 3.38Å; S282-Y285 WeakPolarHBondContact OG-CB 3.2Å; S282-Y285 PolarHBondContact OG-N 2.93Å; S282-L286 WeakPolarHBondContact O-CG 3.37Å; S282-L286 PolarHBondContact O-N 3.13Å
283P96.5Very high94.6Very high64 Ų6446.4 Ų46.442%0.41627%0.266SS..Hα-helixtrans-55-37175.7-26.634.5000113.4L286 K287 L314P283-L286 PolarHBondContact O-N 2.82Å; P283-K287 WeakPolarHBondContact O-CB 3.48Å; P283-K287 PolarHBondContact O-N 2.69Å; P283-L314 HydrophobicContact CG-CD2 3.83Å
284A95.7Very high94.5Very high72 Ų7246.5 Ų46.560%0.59527%0.267SS*.Hα-helixtrans-65.6-42.1175.800000111.8S282 K287 K288S282-A284 PolarHBondContact O-N 2.88Å; A284-K287 PolarHBondContact O-N 3.2Å; A284-K288 WeakPolarHBondContact O-CB 3.18Å; A284-K288 PolarHBondContact O-N 3.12Å
285Y95.6Very high94.4Very high29 Ų2947.9 Ų47.911%0.11427%0.273CS..Hα-helixtrans-63.2-44.1176.4-169.1-97.6000111.9H262 M276 S282 K288 W289 V296H262-Y285 AromaticContact CD2-CE2 3.87Å; H262-Y285 AromaticContact NE2-CE2 3.36Å; H262-Y285 WeakPolarHBondContact NE2-CE2 3.42Å; H262-Y285 AromaticContact NE2-CZ 3.5Å; H262-Y285 PolarHBondContact NE2-OH 2.68Å; M276-Y285 HydrophobicContact CE-CE1 4.32Å; M276-Y285 WeakPolarHBondContact CE-OH 3.17Å; M276-Y285 HydrophobicContact CG-CE1 4.29Å; S282-Y285 WeakPolarHBondContact O-CA 3.46Å; S282-Y285 WeakPolarHBondContact O-CB 3.31Å; S282-Y285 PolarHBondContact O-N 3.38Å; S282-Y285 WeakPolarHBondContact OG-CB 3.2Å; S282-Y285 PolarHBondContact OG-N 2.93Å; Y285-K288 WeakPolarHBondContact O-CB 3.31Å; Y285-K288 PolarHBondContact O-N 2.82Å; Y285-W289 AromaticContact CD1-CD1 3.73Å; Y285-W289 AromaticContact CE1-CD1 3.36Å; Y285-W289 AromaticContact CE1-NE1 3.38Å; Y285-W289 AromaticContact CE2-NE1 3.4Å; Y285-W289 AromaticContact CZ-CD1 3.52Å; Y285-W289 AromaticContact CZ-NE1 2.99Å; Y285-W289 VanDerWaalsContact O-CD1 3.29Å; Y285-W289 PolarHBondContact O-N 3.04Å; Y285-W289 PolarHBondContact OH-NE1 3.15Å; Y285-V296 HydrophobicContact CD1-CG1 4.25Å; Y285-V296 HydrophobicContact CD1-CG2 4.11Å; Y285-V296 HydrophobicContact CE1-CG1 4.04Å; Y285-V296 HydrophobicContact CE1-CG2 3.91Å
286L95.5Very high94.4Very high25 Ų2548 Ų4813%0.13127%0.274CS..Hα-helixtrans-60.6-48.3175.8-65.2177.7000111.4V281 S282 P283 K288 W289 S290 V296 L314V281-L286 HydrophobicContact CG1-CD1 4.37Å; V281-L286 HydrophobicContact CG1-CD2 3.83Å; V281-L286 HydrophobicContact CG1-CG 4.07Å; S282-L286 WeakPolarHBondContact O-CG 3.37Å; S282-L286 PolarHBondContact O-N 3.13Å; P283-L286 PolarHBondContact O-N 2.82Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 3.41Å; L286-W289 PolarHBondContact O-N 3.31Å; L286-S290 WeakPolarHBondContact O-CB 3.32Å; L286-S290 PolarHBondContact O-N 2.86Å; L286-S290 PolarHBondContact O-OG 3.32Å; L286-V296 HydrophobicContact CD2-CB 3.53Å; L286-V296 HydrophobicContact CD2-CG1 3.98Å; L286-V296 HydrophobicContact CD2-CG2 3.99Å; L286-L314 HydrophobicContact CD1-CB 3.8Å; L286-L314 HydrophobicContact CD1-CD2 3.97Å; L286-L314 HydrophobicContact CD1-CG 4.34Å; L286-L314 WeakPolarHBondContact CD1-O 3.33Å
287K94.8Very high94.4Very high159 Ų15948 Ų4869%0.69127%0.274SS*.Hα-helixtrans-60.4-40.6178.8-175.2179.2178.2-1760112.2P283 A284 W289 S290 A291P283-K287 WeakPolarHBondContact O-CB 3.48Å; P283-K287 PolarHBondContact O-N 2.69Å; A284-K287 PolarHBondContact O-N 3.2Å; K287-W289 VanDerWaalsContact C-N 3.33Å; K287-W289 PolarHBondContact O-N 3.45Å; K287-S290 WeakPolarHBondContact CA-OG 3.31Å; K287-S290 PolarHBondContact O-OG 3.12Å; K287-A291 WeakPolarHBondContact O-CB 3.45Å; K287-A291 PolarHBondContact O-N 2.94Å; K287-A291 VanDerWaalsContact O-N 3.13Å
288K92.8Very high94.5Very high61 Ų6146.5 Ų46.527%0.26527%0.267SS..Hα-helixtrans-58.1-45177.3173.1179.4173.4175.90111.7E5 A284 Y285 L286E5-K288 IonicContact OE1-NZ 2.73Å; E5-K288 PolarHBondContact OE1-NZ 3.33Å; A284-K288 WeakPolarHBondContact O-CB 3.18Å; A284-K288 PolarHBondContact O-N 3.12Å; Y285-K288 WeakPolarHBondContact O-CB 3.31Å; Y285-K288 PolarHBondContact O-N 2.82Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 3.41Å
289W94.1Very high94.6Very high0 Ų046.2 Ų46.20%027%0.265CS..Hα-helixtrans-82.3-36.7-177.2-71.9119.9000113.5H262 W266 F274 Y285 L286 K287 A291 K292 G293 I294 V296H262-W289 HydrophobicContact CB-CZ2 4.29Å; H262-W289 AromaticContact CD2-CZ2 3.39Å; H262-W289 WeakPolarHBondContact CD2-CZ2 3.14Å; W266-W289 HydrophobicContact CB-CH2 4.21Å; W266-W289 HydrophobicContact CB-CZ3 4.28Å; W266-W289 AromaticContact CD1-CH2 3.69Å; W266-W289 AromaticContact CD1-CZ3 4Å; W266-W289 HydrophobicContact CD2-CH2 4.36Å; W266-W289 AromaticContact CD2-CZ3 3.9Å; W266-W289 HydrophobicContact CD2-CZ3 3.9Å; W266-W289 HydrophobicContact CE3-CZ3 4.49Å; W266-W289 AromaticContact CG-CH2 3.83Å; W266-W289 HydrophobicContact CG-CH2 3.83Å; W266-W289 AromaticContact CG-CZ3 3.8Å; W266-W289 HydrophobicContact CG-CZ3 3.8Å; F274-W289 HydrophobicContact CD2-CD2 4.04Å; F274-W289 AromaticContact CD2-CE2 3.83Å; F274-W289 HydrophobicContact CD2-CE3 4.39Å; F274-W289 HydrophobicContact CD2-CG 4.48Å; F274-W289 HydrophobicContact CD2-CH2 4.4Å; F274-W289 AromaticContact CD2-CZ2 3.98Å; F274-W289 HydrophobicContact CD2-CZ2 3.98Å; F274-W289 AromaticContact CE2-CD2 3.9Å; F274-W289 HydrophobicContact CE2-CD2 3.9Å; F274-W289 AromaticContact CE2-CE2 3.56Å; F274-W289 AromaticContact CE2-CE3 3.94Å; F274-W289 HydrophobicContact CE2-CE3 3.94Å; F274-W289 AromaticContact CE2-CH2 3.37Å; F274-W289 HydrophobicContact CE2-CH2 3.37Å; F274-W289 AromaticContact CE2-CZ2 3.24Å; F274-W289 HydrophobicContact CE2-CZ2 3.24Å; F274-W289 AromaticContact CE2-CZ3 3.71Å; F274-W289 HydrophobicContact CE2-CZ3 3.71Å; F274-W289 AromaticContact CZ-CH2 3.83Å; F274-W289 HydrophobicContact CZ-CH2 3.83Å; F274-W289 AromaticContact CZ-CZ2 3.74Å; F274-W289 HydrophobicContact CZ-CZ2 3.74Å; Y285-W289 AromaticContact CD1-CD1 3.73Å; Y285-W289 AromaticContact CE1-CD1 3.36Å; Y285-W289 AromaticContact CE1-NE1 3.38Å; Y285-W289 AromaticContact CE2-NE1 3.4Å; Y285-W289 AromaticContact CZ-CD1 3.52Å; Y285-W289 AromaticContact CZ-NE1 2.99Å; Y285-W289 VanDerWaalsContact O-CD1 3.29Å; Y285-W289 PolarHBondContact O-N 3.04Å; Y285-W289 PolarHBondContact OH-NE1 3.15Å; L286-W289 PolarHBondContact O-N 3.31Å; K287-W289 VanDerWaalsContact C-N 3.33Å; K287-W289 PolarHBondContact O-N 3.45Å; W289-A291 PolarHBondContact O-N 2.95Å; W289-K292 HydrophobicContact CE3-CD 3.85Å; W289-K292 HydrophobicContact CZ3-CD 3.83Å; W289-K292 CarbonylContact O-C 3.57Å; W289-K292 WeakPolarHBondContact O-CA 3.35Å; W289-K292 WeakPolarHBondContact O-CB 3.24Å; W289-K292 PolarHBondContact O-N 2.94Å; W289-G293 PolarHBondContact O-N 2.7Å; W289-I294 CarbonylContact C-O 3.51Å; W289-I294 HydrophobicContact CB-CB 4.25Å; W289-I294 HydrophobicContact CB-CG2 4.35Å; W289-I294 HydrophobicContact CE3-CB 4.15Å; W289-I294 HydrophobicContact CE3-CD1 3.74Å; W289-I294 HydrophobicContact CE3-CG2 4.2Å; W289-I294 HydrophobicContact CZ3-CD1 3.81Å; W289-I294 PolarHBondContact O-N 2.95Å; W289-I294 VanDerWaalsContact O-O 3.12Å; W289-V296 HydrophobicContact CB-CG2 3.93Å; W289-V296 HydrophobicContact CG-CG2 4.12Å
290S91.9Very high94.7Very high67 Ų6742.1 Ų42.147%0.46924%0.244SC..Hα-helixtrans-61.8-34.7175.471.90000111.8L286 K287 K292 G293 I294L286-S290 WeakPolarHBondContact O-CB 3.32Å; L286-S290 PolarHBondContact O-N 2.86Å; L286-S290 PolarHBondContact O-OG 3.32Å; K287-S290 WeakPolarHBondContact CA-OG 3.31Å; K287-S290 PolarHBondContact O-OG 3.12Å; S290-K292 PolarHBondContact O-N 3.35Å; S290-K292 VanDerWaalsContact O-N 3.16Å; S290-G293 PolarHBondContact O-N 2.89Å; S290-I294 PolarHBondContact N-O 3.45Å
291A91.1Very high94.8Very high87 Ų8738.1 Ų38.172%0.71923%0.226SC*.THydrogen-bonded Turntrans-61.6-18.817300000113.6K287 W289K287-A291 WeakPolarHBondContact O-CB 3.45Å; K287-A291 PolarHBondContact O-N 2.94Å; K287-A291 VanDerWaalsContact O-N 3.13Å; W289-A291 PolarHBondContact O-N 2.95Å
292K88.7Confident94.8Very high56 Ų5637.7 Ų37.724%0.24322%0.223CC..THydrogen-bonded Turntrans-102.36.7175.2-60.6175.9-175.1-670112.7W266 W289 S290 I294W266-K292 HydrophobicContact CH2-CD 4.07Å; W266-K292 HydrophobicContact CZ2-CD 4.05Å; W289-K292 HydrophobicContact CE3-CD 3.85Å; W289-K292 HydrophobicContact CZ3-CD 3.83Å; W289-K292 CarbonylContact O-C 3.57Å; W289-K292 WeakPolarHBondContact O-CA 3.35Å; W289-K292 WeakPolarHBondContact O-CB 3.24Å; W289-K292 PolarHBondContact O-N 2.94Å; S290-K292 PolarHBondContact O-N 3.35Å; S290-K292 VanDerWaalsContact O-N 3.16Å; K292-I294 HydrophobicContact CB-CD1 4.24Å; K292-I294 HydrophobicContact CB-CG1 4.42Å; K292-I294 PolarHBondContact O-N 3.32Å
293G91.1Very high94.8Very high23 Ų2337.6 Ų37.624%0.23722%0.221CC..THydrogen-bonded Turntrans72.214.5-175.700000114.3W289 S290W289-G293 PolarHBondContact O-N 2.7Å; S290-G293 PolarHBondContact O-N 2.89Å
294I94.7Very high94.8Very high3 Ų339.5 Ų39.52%0.01522%0.223CC..  trans-101.8132.1-178.4-64.7170.3000108.8W266 I271 S272 F274 W289 S290 K292W266-I294 HydrophobicContact CD2-CD1 4.03Å; W266-I294 HydrophobicContact CE3-CD1 3.34Å; W266-I294 HydrophobicContact CZ3-CD1 3.81Å; I271-I294 HydrophobicContact CG1-CD1 4.49Å; S272-I294 WeakPolarHBondContact O-CA 3.32Å; F274-I294 HydrophobicContact CD2-CG2 3.88Å; F274-I294 HydrophobicContact CE2-CG2 4.31Å; W289-I294 CarbonylContact C-O 3.51Å; W289-I294 HydrophobicContact CB-CB 4.25Å; W289-I294 HydrophobicContact CB-CG2 4.35Å; W289-I294 HydrophobicContact CE3-CB 4.15Å; W289-I294 HydrophobicContact CE3-CD1 3.74Å; W289-I294 HydrophobicContact CE3-CG2 4.2Å; W289-I294 HydrophobicContact CZ3-CD1 3.81Å; W289-I294 PolarHBondContact O-N 2.95Å; W289-I294 VanDerWaalsContact O-O 3.12Å; S290-I294 PolarHBondContact N-O 3.45Å; K292-I294 HydrophobicContact CB-CD1 4.24Å; K292-I294 HydrophobicContact CB-CG1 4.42Å; K292-I294 PolarHBondContact O-N 3.32Å
295Q96Very high94.8Very high28 Ų2842.7 Ų42.713%0.13123%0.23CC..EExtended strand (participates in β ladder)trans-88.7161.6175.7-60.2-54.9-63.200111.3V55 L56 L59 S272 A273 F274V55-Q295 HydrophobicContact CG1-CG 4.12Å; L56-Q295 HydrophobicContact CD2-CG 4.31Å; L59-Q295 HydrophobicContact CD1-CB 3.57Å; L59-Q295 HydrophobicContact CD1-CG 3.67Å; S272-Q295 PolarHBondContact O-N 2.97Å; A273-Q295 CarbonylContact C-O 3.51Å; A273-Q295 WeakPolarHBondContact CA-O 3.29Å; A273-Q295 HydrophobicContact CB-CB 4.12Å; F274-Q295 PolarHBondContact N-O 2.98Å
296V97.3Very high94.8Very high7 Ų743.7 Ų43.74%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-125.7137.6172.9-179.40000107.5F274 M276 V281 Y285 L286 W289 S316F274-V296 CarbonylContact O-C 3.41Å; F274-V296 WeakPolarHBondContact O-CA 3.23Å; M276-V296 HydrophobicContact CB-CG1 4.06Å; V281-V296 HydrophobicContact CG1-CG1 4.36Å; V281-V296 HydrophobicContact CG2-CG1 4.19Å; Y285-V296 HydrophobicContact CD1-CG1 4.25Å; Y285-V296 HydrophobicContact CD1-CG2 4.11Å; Y285-V296 HydrophobicContact CE1-CG1 4.04Å; Y285-V296 HydrophobicContact CE1-CG2 3.91Å; L286-V296 HydrophobicContact CD2-CB 3.53Å; L286-V296 HydrophobicContact CD2-CG1 3.98Å; L286-V296 HydrophobicContact CD2-CG2 3.99Å; W289-V296 HydrophobicContact CB-CG2 3.93Å; W289-V296 HydrophobicContact CG-CG2 4.12Å; V296-S316 PolarHBondContact O-OG 2.84Å
297V97.9Very high94.9Very high1 Ų143 Ų431%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-123.7125.1175-1760000107.2L59 I68 F274 L275 M276 S317 I319L59-V297 HydrophobicContact CD2-CG2 4.47Å; I68-V297 HydrophobicContact CD1-CG1 3.76Å; F274-V297 PolarHBondContact O-N 3.12Å; L275-V297 CarbonylContact C-O 3.49Å; L275-V297 WeakPolarHBondContact CA-O 3.4Å; L275-V297 HydrophobicContact CD1-CB 4.23Å; L275-V297 HydrophobicContact CD1-CG2 4.42Å; L275-V297 HydrophobicContact CG-CB 4.23Å; M276-V297 PolarHBondContact N-O 3.16Å; V297-S317 WeakPolarHBondContact CA-O 3.26Å; V297-I319 HydrophobicContact CG1-CD1 4.3Å; V297-I319 HydrophobicContact CG1-CG1 3.97Å
298G97.4Very high94.9Very high0 Ų038.4 Ų38.40%022%0.219CC..EExtended strand (participates in β ladder)trans-83.7144.8179.400000112.5M276 S317 Y318 I319M276-G298 CarbonylContact O-C 3.14Å; M276-G298 VanDerWaalsContact O-CA 3.32Å; M276-G298 WeakPolarHBondContact O-CA 3.26Å; G298-S317 PolarHBondContact N-O 3.41Å; G298-Y318 CarbonylContact O-C 3.15Å; G298-Y318 VanDerWaalsContact O-CA 3.24Å; G298-Y318 WeakPolarHBondContact O-CA 3.33Å; G298-I319 PolarHBondContact O-N 3.43Å
299W96.1Very high95.1Very high41 Ų4140.2 Ų40.216%0.15523%0.225CC..EExtended strand (participates in β ladder)trans-146.6150.6172.662.6-89.5000112.5F205 T225 R227 L275 M276 Q277 K278 I319F205-W299 HydrophobicContact CE1-CH2 4.01Å; F205-W299 AromaticContact CE1-CZ2 3.78Å; F205-W299 HydrophobicContact CE1-CZ2 3.78Å; F205-W299 AromaticContact CZ-CH2 3.48Å; F205-W299 HydrophobicContact CZ-CH2 3.48Å; F205-W299 VanDerWaalsContact CZ-CH2 3.48Å; F205-W299 AromaticContact CZ-CZ2 3.43Å; F205-W299 HydrophobicContact CZ-CZ2 3.43Å; F205-W299 VanDerWaalsContact CZ-CZ2 3.43Å; F205-W299 HydrophobicContact CZ-CZ3 4.43Å; T225-W299 HydrophobicContact CG2-CZ2 3.92Å; R227-W299 HydrophobicContact CB-CH2 3.89Å; R227-W299 HydrophobicContact CB-CZ2 3.95Å; R227-W299 HydrophobicContact CG-CH2 4.24Å; L275-W299 PolarHBondContact O-NE1 3.22Å; M276-W299 VanDerWaalsContact C-CD1 3.42Å; M276-W299 VanDerWaalsContact C-NE1 3.26Å; M276-W299 PolarHBondContact O-N 2.95Å; Q277-W299 CarbonylContact C-O 3.49Å; Q277-W299 VanDerWaalsContact CA-O 3.3Å; Q277-W299 WeakPolarHBondContact CA-O 3.38Å; Q277-W299 HydrophobicContact CB-CZ2 4.4Å; K278-W299 PolarHBondContact N-O 3.49Å; W299-I319 HydrophobicContact CB-CB 3.82Å; W299-I319 HydrophobicContact CB-CD1 4.15Å; W299-I319 HydrophobicContact CB-CG1 4.4Å; W299-I319 HydrophobicContact CB-CG2 4.41Å
300T94.5Very high95.2Very high17 Ų1740.5 Ų40.510%0.10423%0.226CC..  cis-101118.9-16.1-45.60000108.5H70 K278 N302 I319 D321H70-T300 HydrophobicContact CB-CG2 4.26Å; K278-T300 WeakPolarHBondContact CD-O 3.45Å; T300-N302 WeakPolarHBondContact CG2-OD1 3.49Å; T300-I319 CarbonylContact C-O 3.55Å; T300-I319 WeakPolarHBondContact CA-O 3.41Å; T300-D321 WeakPolarHBondContact CG2-OD2 3.39Å
301V96.5Very high95.3Very high0 Ų041.9 Ų41.90%023%0.225CC..  trans-95.4100.5-170.7178.30000108.5K278 E306 K307 Y310 Y318 I319 T320K278-V301 HydrophobicContact CB-CG2 3.97Å; K278-V301 HydrophobicContact CD-CG2 4.31Å; V301-E306 HydrophobicContact CG1-CB 3.59Å; V301-K307 HydrophobicContact CG1-CG 3.94Å; V301-Y310 HydrophobicContact CG1-CD2 3.9Å; V301-Y310 HydrophobicContact CG1-CE2 4.3Å; V301-Y310 HydrophobicContact CG2-CD2 3.84Å; V301-Y310 HydrophobicContact CG2-CE1 4.38Å; V301-Y310 HydrophobicContact CG2-CE2 3.53Å; V301-Y310 HydrophobicContact CG2-CG 4.37Å; V301-Y318 HydrophobicContact CB-CD2 3.92Å; V301-Y318 HydrophobicContact CB-CG 4.22Å; V301-Y318 HydrophobicContact CG1-CD2 4.13Å; V301-Y318 HydrophobicContact CG1-CG 4.33Å; V301-Y318 HydrophobicContact CG2-CG 4.43Å; V301-I319 PolarHBondContact N-O 2.89Å; V301-T320 WeakPolarHBondContact O-CB 3.25Å; V301-T320 PolarHBondContact O-OG1 2.86Å
302N96.5Very high95.4Very high3 Ų342.2 Ų42.22%0.01622%0.222CC..  trans-108.4-24.7-165.1-74.6-14.1000114.5T300 E306 K307 T320 D321 C327T300-N302 WeakPolarHBondContact CG2-OD1 3.49Å; N302-E306 PolarHBondContact N-OE2 3.33Å; N302-K307 WeakPolarHBondContact O-CE 3.09Å; N302-K307 PolarHBondContact O-NZ 3.39Å; N302-T320 PolarHBondContact OD1-OG1 3.46Å; N302-D321 PolarHBondContact ND2-OD2 3.33Å; N302-D321 PolarHBondContact OD1-N 2.91Å; N302-C327 WeakPolarHBondContact CB-O 3.32Å; N302-C327 VanDerWaalsContact CG-SG 3.58Å
303T96.6Very high95.6Very high46 Ų4645.2 Ų45.228%0.28224%0.237SC..SBendtrans-88.6150.1179.165.80000112.6D305 E306 K307 D326T303-D305 VanDerWaalsContact C-N 3.26Å; T303-D305 PolarHBondContact O-N 3.3Å; T303-E306 PolarHBondContact N-OE2 3.48Å; T303-E306 VanDerWaalsContact N-OE2 3.12Å; T303-E306 PolarHBondContact O-N 2.89Å; T303-E306 WeakPolarHBondContact OG1-CB 3.01Å; T303-E306 WeakPolarHBondContact OG1-CG 3.35Å; T303-E306 PolarHBondContact OG1-N 2.99Å; T303-E306 PolarHBondContact OG1-OE2 3.47Å; T303-K307 VanDerWaalsContact O-CG 3.23Å; T303-K307 WeakPolarHBondContact O-CG 3.46Å; T303-K307 PolarHBondContact O-N 3.3Å; T303-D326 WeakPolarHBondContact CA-OD1 3.44Å
304F95.8Very high95.8Very high105 Ų10545 Ų4546%0.46123%0.23SC..Hα-helixtrans-58-37.8174.7-75-64.7000112.9K307 S308 V324 D326F304-K307 HydrophobicContact CD1-CD 4.39Å; F304-K307 PolarHBondContact O-N 2.95Å; F304-S308 VanDerWaalsContact O-CB 3.31Å; F304-S308 WeakPolarHBondContact O-CB 3.44Å; F304-S308 PolarHBondContact O-N 3.23Å; F304-V324 WeakPolarHBondContact CZ-O 3.47Å; F304-D326 WeakPolarHBondContact CD2-OD1 3.43Å; F304-D326 PolarHBondContact N-OD1 2.87Å
305D96.1Very high95.7Very high139 Ų13946.2 Ų46.274%0.74324%0.243SC*.Hα-helixtrans-64.8-44177.4-73.3-19.5000111.3T303 S308 Y309T303-D305 VanDerWaalsContact C-N 3.26Å; T303-D305 PolarHBondContact O-N 3.3Å; D305-S308 PolarHBondContact O-N 3.48Å; D305-Y309 WeakPolarHBondContact O-CB 3.41Å; D305-Y309 PolarHBondContact O-N 3.17Å
306E96.2Very high95.7Very high50 Ų5045 Ų4523%0.23424%0.238CC..Hα-helixtrans-66.1-43.3175.4-66166.7138.300111.4K278 V301 N302 T303 S308 Y309 Y310K278-E306 VanDerWaalsContact CE-OE1 3.23Å; K278-E306 WeakPolarHBondContact CE-OE1 3.48Å; K278-E306 IonicContact NZ-OE1 2.83Å; K278-E306 PolarHBondContact NZ-OE1 3.48Å; V301-E306 HydrophobicContact CG1-CB 3.59Å; N302-E306 PolarHBondContact N-OE2 3.33Å; T303-E306 PolarHBondContact N-OE2 3.48Å; T303-E306 VanDerWaalsContact N-OE2 3.12Å; T303-E306 PolarHBondContact O-N 2.89Å; T303-E306 WeakPolarHBondContact OG1-CB 3.01Å; T303-E306 WeakPolarHBondContact OG1-CG 3.35Å; T303-E306 PolarHBondContact OG1-N 2.99Å; T303-E306 PolarHBondContact OG1-OE2 3.47Å; E306-S308 VanDerWaalsContact C-N 3.34Å; E306-S308 PolarHBondContact O-N 3.38Å; E306-Y309 WeakPolarHBondContact O-CB 3.4Å; E306-Y309 PolarHBondContact O-N 3.22Å; E306-Y310 WeakPolarHBondContact O-CD2 3.15Å; E306-Y310 PolarHBondContact O-N 2.81Å
307K96.5Very high95.6Very high11 Ų1144.8 Ų44.85%0.04824%0.237CC..Hα-helixtrans-56.8-49.1175.5-68.8163.6-179.8159.40110.4V301 N302 T303 F304 Y309 Y310 E311 Y318 T320 S322 E325V301-K307 HydrophobicContact CG1-CG 3.94Å; N302-K307 WeakPolarHBondContact O-CE 3.09Å; N302-K307 PolarHBondContact O-NZ 3.39Å; T303-K307 VanDerWaalsContact O-CG 3.23Å; T303-K307 WeakPolarHBondContact O-CG 3.46Å; T303-K307 PolarHBondContact O-N 3.3Å; F304-K307 HydrophobicContact CD1-CD 4.39Å; F304-K307 PolarHBondContact O-N 2.95Å; K307-Y309 VanDerWaalsContact C-N 3.32Å; K307-Y309 PolarHBondContact O-N 2.94Å; K307-Y310 PolarHBondContact O-N 3.46Å; K307-Y310 VanDerWaalsContact O-N 3.14Å; K307-E311 WeakPolarHBondContact O-CG 3.4Å; K307-E311 PolarHBondContact O-N 2.88Å; K307-Y318 HydrophobicContact CB-CE2 4.35Å; K307-Y318 HydrophobicContact CD-CE2 4.47Å; K307-Y318 HydrophobicContact CG-CD2 4.46Å; K307-Y318 HydrophobicContact CG-CE2 3.73Å; K307-T320 WeakPolarHBondContact CE-OG1 3.38Å; K307-S322 WeakPolarHBondContact CE-O 3.29Å; K307-S322 PolarHBondContact NZ-O 3.2Å; K307-E325 PolarHBondContact NZ-O 3.13Å
308S95.9Very high95.6Very high61 Ų6145.3 Ų45.343%0.42724%0.239SC..Hα-helixtrans-60.6-40176.8-169.70000112.1F304 D305 E306 E311 S312F304-S308 VanDerWaalsContact O-CB 3.31Å; F304-S308 WeakPolarHBondContact O-CB 3.44Å; F304-S308 PolarHBondContact O-N 3.23Å; D305-S308 PolarHBondContact O-N 3.48Å; E306-S308 VanDerWaalsContact C-N 3.34Å; E306-S308 PolarHBondContact O-N 3.38Å; S308-E311 PolarHBondContact O-N 3Å; S308-S312 VanDerWaalsContact O-CB 3.28Å; S308-S312 WeakPolarHBondContact O-CB 3.38Å; S308-S312 PolarHBondContact O-N 3.37Å; S308-S312 PolarHBondContact O-OG 2.84Å
309Y96.1Very high95.6Very high100 Ų10045.5 Ų45.539%0.39224%0.24SC..Iπ-helixtrans-62.4-42.5174.5176.9-105.3000112.3D305 E306 K307 H313 L314D305-Y309 WeakPolarHBondContact O-CB 3.41Å; D305-Y309 PolarHBondContact O-N 3.17Å; E306-Y309 WeakPolarHBondContact O-CB 3.4Å; E306-Y309 PolarHBondContact O-N 3.22Å; K307-Y309 VanDerWaalsContact C-N 3.32Å; K307-Y309 PolarHBondContact O-N 2.94Å; Y309-H313 HydrophobicContact CD2-CB 3.72Å; Y309-H313 HydrophobicContact CE2-CB 3.88Å; Y309-H313 AromaticContact CE2-CD2 3.25Å; Y309-H313 WeakPolarHBondContact CE2-CD2 3.5Å; Y309-H313 AromaticContact CE2-CG 3.69Å; Y309-H313 HydrophobicContact CG-CB 4.48Å; Y309-H313 AromaticContact CZ-CD2 3.74Å; Y309-H313 WeakPolarHBondContact O-CA 3.29Å; Y309-H313 VanDerWaalsContact O-CB 3.32Å; Y309-H313 WeakPolarHBondContact O-CB 3.47Å; Y309-H313 PolarHBondContact O-N 3.39Å; Y309-L314 HydrophobicContact CD1-CD1 3.92Å; Y309-L314 HydrophobicContact CD1-CG 4.04Å; Y309-L314 HydrophobicContact CE1-CD1 3.53Å; Y309-L314 HydrophobicContact CE1-CD2 3.99Å; Y309-L314 HydrophobicContact CE1-CG 3.61Å; Y309-L314 PolarHBondContact O-N 3.45Å
310Y96.1Very high95.7Very high6 Ų643.6 Ų43.62%0.02423%0.232CC..Iπ-helixtrans-64.1-42.5176.2-93.5-96.6000112.9K278 V281 V301 E306 K307 L314 G315 S316 Y318K278-Y310 WeakPolarHBondContact CA-OH 3.49Å; K278-Y310 HydrophobicContact CB-CE2 4.26Å; K278-Y310 VanDerWaalsContact CB-OH 3.32Å; K278-Y310 WeakPolarHBondContact CB-OH 3.43Å; K278-Y310 PolarHBondContact O-OH 3.49Å; V281-Y310 WeakPolarHBondContact CB-OH 3.49Å; V281-Y310 HydrophobicContact CG1-CE1 4.32Å; V281-Y310 WeakPolarHBondContact CG2-OH 3.31Å; V301-Y310 HydrophobicContact CG1-CD2 3.9Å; V301-Y310 HydrophobicContact CG1-CE2 4.3Å; V301-Y310 HydrophobicContact CG2-CD2 3.84Å; V301-Y310 HydrophobicContact CG2-CE1 4.38Å; V301-Y310 HydrophobicContact CG2-CE2 3.53Å; V301-Y310 HydrophobicContact CG2-CG 4.37Å; E306-Y310 WeakPolarHBondContact O-CD2 3.15Å; E306-Y310 PolarHBondContact O-N 2.81Å; K307-Y310 PolarHBondContact O-N 3.46Å; K307-Y310 VanDerWaalsContact O-N 3.14Å; Y310-L314 HydrophobicContact CD1-CD1 3.94Å; Y310-L314 HydrophobicContact CD2-CD1 4.17Å; Y310-L314 HydrophobicContact CE1-CD1 3.86Å; Y310-L314 HydrophobicContact CE2-CD1 4.11Å; Y310-L314 HydrophobicContact CG-CD1 4.09Å; Y310-G315 WeakPolarHBondContact O-CA 3.25Å; Y310-G315 PolarHBondContact O-N 2.87Å; Y310-S316 PolarHBondContact O-N 3.16Å; Y310-S316 VanDerWaalsContact O-N 3.07Å; Y310-Y318 HydrophobicContact CG-CD1 4.34Å
311E93.9Very high95.8Very high96 Ų9642.8 Ų42.845%0.44923%0.228SC..Iπ-helixtrans-74.4-49.1-178.3-67.9-178153.400112.7I65 K307 S308 Y318I65-E311 HydrophobicContact CG2-CG 4.23Å; K307-E311 WeakPolarHBondContact O-CG 3.4Å; K307-E311 PolarHBondContact O-N 2.88Å; S308-E311 PolarHBondContact O-N 3Å; E311-Y318 HydrophobicContact CG-CE1 3.76Å; E311-Y318 PolarHBondContact OE1-OH 3.49Å
312S92.9Very high95.9Very high94 Ų9442.8 Ų42.866%0.65723%0.228SC*.Iπ-helixtrans-91-36.6-169.169.30000113.8S308S308-S312 VanDerWaalsContact O-CB 3.28Å; S308-S312 WeakPolarHBondContact O-CB 3.38Å; S308-S312 PolarHBondContact O-N 3.37Å; S308-S312 PolarHBondContact O-OG 2.84Å
313H93.9Very high95.8Very high119 Ų11944.2 Ų44.255%0.55124%0.235SC*.Iπ-helixtrans-99.7-49.1-174.7-171.676.8000112.1Y309Y309-H313 HydrophobicContact CD2-CB 3.72Å; Y309-H313 HydrophobicContact CE2-CB 3.88Å; Y309-H313 AromaticContact CE2-CD2 3.25Å; Y309-H313 WeakPolarHBondContact CE2-CD2 3.5Å; Y309-H313 AromaticContact CE2-CG 3.69Å; Y309-H313 HydrophobicContact CG-CB 4.48Å; Y309-H313 AromaticContact CZ-CD2 3.74Å; Y309-H313 WeakPolarHBondContact O-CA 3.29Å; Y309-H313 VanDerWaalsContact O-CB 3.32Å; Y309-H313 WeakPolarHBondContact O-CB 3.47Å; Y309-H313 PolarHBondContact O-N 3.39Å
314L94.6Very high95.8Very high18 Ų1845.6 Ų45.69%0.09424%0.243CC..Iπ-helixtrans-81-33-178.7-67.2-175000113V281 P283 L286 Y309 Y310 S316V281-L314 HydrophobicContact CG1-CD1 3.96Å; P283-L314 HydrophobicContact CG-CD2 3.83Å; L286-L314 HydrophobicContact CD1-CB 3.8Å; L286-L314 HydrophobicContact CD1-CD2 3.97Å; L286-L314 HydrophobicContact CD1-CG 4.34Å; L286-L314 WeakPolarHBondContact CD1-O 3.33Å; Y309-L314 HydrophobicContact CD1-CD1 3.92Å; Y309-L314 HydrophobicContact CD1-CG 4.04Å; Y309-L314 HydrophobicContact CE1-CD1 3.53Å; Y309-L314 HydrophobicContact CE1-CD2 3.99Å; Y309-L314 HydrophobicContact CE1-CG 3.61Å; Y309-L314 PolarHBondContact O-N 3.45Å; Y310-L314 HydrophobicContact CD1-CD1 3.94Å; Y310-L314 HydrophobicContact CD2-CD1 4.17Å; Y310-L314 HydrophobicContact CE1-CD1 3.86Å; Y310-L314 HydrophobicContact CE2-CD1 4.11Å; Y310-L314 HydrophobicContact CG-CD1 4.09Å; L314-S316 VanDerWaalsContact C-N 3.26Å; L314-S316 PolarHBondContact O-N 2.86Å
315G93.4Very high95.7Very high28 Ų2844.1 Ų44.129%0.28924%0.237SC..  trans59.939-171.200000112K60 I65 Y310K60-G315 PolarHBondContact NZ-O 3.32Å; I65-G315 WeakPolarHBondContact CD1-O 3.32Å; Y310-G315 WeakPolarHBondContact O-CA 3.25Å; Y310-G315 PolarHBondContact O-N 2.87Å
316S94.7Very high95.7Very high4 Ų441.5 Ų41.53%0.02822%0.223CC..  trans-122.9138.5-174.7-174.40000111I65 V296 Y310 L314I65-S316 WeakPolarHBondContact CG2-O 3.46Å; V296-S316 PolarHBondContact O-OG 2.84Å; Y310-S316 PolarHBondContact O-N 3.16Å; Y310-S316 VanDerWaalsContact O-N 3.07Å; L314-S316 VanDerWaalsContact C-N 3.26Å; L314-S316 PolarHBondContact O-N 2.86Å
317S96.6Very high95.6Very high2 Ų239.8 Ų39.81%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-64154.8173.6-56.60000110.8L59 S66 V297 G298L59-S317 PolarHBondContact O-OG 2.71Å; S66-S317 WeakPolarHBondContact CB-OG 3.48Å; S66-S317 PolarHBondContact N-OG 2.82Å; S66-S317 VanDerWaalsContact N-OG 3.11Å; S66-S317 WeakPolarHBondContact O-CA 3.42Å; S66-S317 WeakPolarHBondContact O-CB 3.42Å; V297-S317 WeakPolarHBondContact CA-O 3.26Å; G298-S317 PolarHBondContact N-O 3.41Å
318Y97.6Very high95.2Very high11 Ų1146.8 Ų46.84%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-145.6156.4-178.262.8-89.2000112.3I65 S66 A67 I68 G298 V301 K307 Y310 E311 T320I65-Y318 HydrophobicContact CG2-CD1 4.32Å; I65-Y318 HydrophobicContact CG2-CE1 4.37Å; S66-Y318 PolarHBondContact O-N 3.4Å; A67-Y318 HydrophobicContact CB-CE1 4.27Å; A67-Y318 HydrophobicContact CB-CE2 3.98Å; I68-Y318 WeakPolarHBondContact CB-O 3.16Å; I68-Y318 PolarHBondContact N-O 3.01Å; G298-Y318 CarbonylContact O-C 3.15Å; G298-Y318 VanDerWaalsContact O-CA 3.24Å; G298-Y318 WeakPolarHBondContact O-CA 3.33Å; V301-Y318 HydrophobicContact CB-CD2 3.92Å; V301-Y318 HydrophobicContact CB-CG 4.22Å; V301-Y318 HydrophobicContact CG1-CD2 4.13Å; V301-Y318 HydrophobicContact CG1-CG 4.33Å; V301-Y318 HydrophobicContact CG2-CG 4.43Å; K307-Y318 HydrophobicContact CB-CE2 4.35Å; K307-Y318 HydrophobicContact CD-CE2 4.47Å; K307-Y318 HydrophobicContact CG-CD2 4.46Å; K307-Y318 HydrophobicContact CG-CE2 3.73Å; Y310-Y318 HydrophobicContact CG-CD1 4.34Å; E311-Y318 HydrophobicContact CG-CE1 3.76Å; E311-Y318 PolarHBondContact OE1-OH 3.49Å; Y318-T320 HydrophobicContact CE2-CG2 4.12Å
319I97.9Very high94.1Very high4 Ų446.1 Ų46.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-105.2136.6173.7-62.4171.6000108.3I68 H70 L275 V297 G298 W299 T300 V301I68-I319 HydrophobicContact CB-CG1 3.9Å; I68-I319 HydrophobicContact CD1-CG1 4.1Å; I68-I319 HydrophobicContact CG2-CG1 3.94Å; I68-I319 CarbonylContact O-C 3.59Å; I68-I319 VanDerWaalsContact O-CA 3.26Å; I68-I319 WeakPolarHBondContact O-CA 3.45Å; H70-I319 HydrophobicContact CB-CG2 3.47Å; H70-I319 VanDerWaalsContact CB-CG2 3.47Å; L275-I319 HydrophobicContact CD2-CD1 3.64Å; L275-I319 HydrophobicContact CG-CD1 4.09Å; V297-I319 HydrophobicContact CG1-CD1 4.3Å; V297-I319 HydrophobicContact CG1-CG1 3.97Å; G298-I319 PolarHBondContact O-N 3.43Å; W299-I319 HydrophobicContact CB-CB 3.82Å; W299-I319 HydrophobicContact CB-CD1 4.15Å; W299-I319 HydrophobicContact CB-CG1 4.4Å; W299-I319 HydrophobicContact CB-CG2 4.41Å; T300-I319 CarbonylContact C-O 3.55Å; T300-I319 WeakPolarHBondContact CA-O 3.41Å; V301-I319 PolarHBondContact N-O 2.89Å
320T97.8Very high92.8Very high1 Ų145.8 Ų45.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-140.5143.2-175.4-169.90000112.3I68 H70 V301 N302 K307 Y318 S322 M323I68-T320 PolarHBondContact O-N 2.96Å; H70-T320 VanDerWaalsContact CB-O 3.3Å; H70-T320 WeakPolarHBondContact CB-O 3.44Å; H70-T320 PolarHBondContact N-O 3.01Å; V301-T320 WeakPolarHBondContact O-CB 3.25Å; V301-T320 PolarHBondContact O-OG1 2.86Å; N302-T320 PolarHBondContact OD1-OG1 3.46Å; K307-T320 WeakPolarHBondContact CE-OG1 3.38Å; Y318-T320 HydrophobicContact CE2-CG2 4.12Å; T320-S322 WeakPolarHBondContact CG2-O 3.31Å; T320-S322 PolarHBondContact OG1-O 2.91Å; T320-M323 HydrophobicContact CG2-SD 3.47Å; T320-M323 WeakPolarHBondContact CG2-SD 3.32Å
321D97.1Very high90.6Very high1 Ų153.6 Ų53.61%0.00528%0.28CS..SBendtrans-73.7-28.2175.9-73.3-47.6000112.6H70 G73 S74 H75 T300 N302H70-D321 IonicContact CE1-OD1 2.86Å; H70-D321 IonicContact CG-OD1 3.04Å; H70-D321 IonicContact ND1-OD1 3.57Å; H70-D321 PolarHBondContact ND1-OD1 2.97Å; G73-D321 CarbonylContact C-O 3.59Å; G73-D321 WeakPolarHBondContact CA-O 3.43Å; S74-D321 PolarHBondContact N-O 2.65Å; S74-D321 WeakPolarHBondContact OG-CB 3.31Å; S74-D321 VanDerWaalsContact OG-CG 3.29Å; S74-D321 PolarHBondContact OG-OD1 3.4Å; H75-D321 HydrophobicContact CB-CB 4.23Å; H75-D321 WeakPolarHBondContact CB-O 3.49Å; H75-D321 PolarHBondContact N-O 3.25Å; T300-D321 WeakPolarHBondContact CG2-OD2 3.39Å; N302-D321 PolarHBondContact ND2-OD2 3.33Å; N302-D321 PolarHBondContact OD1-N 2.91Å
322S96.8Very high90.4Very high0 Ų051.5 Ų51.50%027%0.272CS..  trans-134.2133.7178.3-1760000111.8D76 K307 T320 V324 E325D76-S322 WeakPolarHBondContact OD1-CA 3.27Å; D76-S322 VanDerWaalsContact OD1-CB 3.32Å; D76-S322 WeakPolarHBondContact OD1-CB 3.32Å; D76-S322 PolarHBondContact OD1-OG 3.41Å; K307-S322 WeakPolarHBondContact CE-O 3.29Å; K307-S322 PolarHBondContact NZ-O 3.2Å; T320-S322 WeakPolarHBondContact CG2-O 3.31Å; T320-S322 PolarHBondContact OG1-O 2.91Å; S322-V324 PolarHBondContact OG-N 3.29Å; S322-E325 VanDerWaalsContact CB-O 3.29Å; S322-E325 WeakPolarHBondContact CB-O 3.28Å; S322-E325 PolarHBondContact OG-N 3.35Å; S322-E325 PolarHBondContact OG-O 3.36Å
323M95.5Very high90.3Very high33 Ų3349.2 Ų49.216%0.16325%0.251CS..SBendtrans-86.2-18.6173.2-63.1-62.1-57.900112.4A67 A69 D76 N91 A93 T320A67-M323 HydrophobicContact CB-CE 3.71Å; A67-M323 HydrophobicContact CB-SD 4.36Å; A69-M323 HydrophobicContact CB-CG 4.4Å; A69-M323 HydrophobicContact CB-SD 4.39Å; D76-M323 PolarHBondContact OD2-N 3Å; N91-M323 HydrophobicContact CB-CB 3.57Å; N91-M323 HydrophobicContact CB-CG 4.05Å; A93-M323 HydrophobicContact CB-CE 3.93Å; A93-M323 HydrophobicContact CB-CG 4.32Å; A93-M323 HydrophobicContact CB-SD 3.98Å; T320-M323 HydrophobicContact CG2-SD 3.47Å; T320-M323 WeakPolarHBondContact CG2-SD 3.32Å
324V95.9Very high90.1Very high75 Ų7545.3 Ų45.346%0.45524%0.235SC..SBendtrans-119.9-16.7-164.6-62.40000114.7D76 N91 F304 S322D76-V324 WeakPolarHBondContact OD1-CG2 3.4Å; N91-V324 HydrophobicContact CB-CG1 4.03Å; F304-V324 WeakPolarHBondContact CZ-O 3.47Å; S322-V324 PolarHBondContact OG-N 3.29Å
325E94.8Very high89.8Confident74 Ų7446.9 Ų46.935%0.34624%0.243SC..SBendtrans-147171.7177.462.9-172.8-177.700112.5H75 R144 K307 S322H75-E325 IonicContact CD2-OE1 3.34Å; H75-E325 PolarHBondContact CD2-OE1 3.17Å; H75-E325 IonicContact CE1-OE1 3.95Å; H75-E325 IonicContact NE2-OE1 3.78Å; H75-E325 PolarHBondContact NE2-OE1 2.92Å; R144-E325 IonicContact CZ-OE1 3.35Å; R144-E325 VanDerWaalsContact CZ-OE1 3.25Å; R144-E325 IonicContact NH1-OE1 3.52Å; R144-E325 PolarHBondContact NH1-OE1 3.01Å; R144-E325 IonicContact NH2-OE1 2.72Å; R144-E325 PolarHBondContact NH2-OE1 3.33Å; K307-E325 PolarHBondContact NZ-O 3.13Å; S322-E325 VanDerWaalsContact CB-O 3.29Å; S322-E325 WeakPolarHBondContact CB-O 3.28Å; S322-E325 PolarHBondContact OG-N 3.35Å; S322-E325 PolarHBondContact OG-O 3.36Å
326D96.3Very high89.6Confident84 Ų8448.1 Ų48.145%0.44924%0.24SC..  trans-78.1143171-69.8-11.3000109.7T303 F304T303-D326 WeakPolarHBondContact CA-OD1 3.44Å; F304-D326 WeakPolarHBondContact CD2-OD1 3.43Å; F304-D326 PolarHBondContact N-OD1 2.87Å
327C93.4Very high89.3Confident14 Ų1451.1 Ų51.110%0.09525%0.254CS..  trans-147153.7176.750.40000111.4H75 N302H75-C327 HydrophobicContact CB-CB 4.37Å; N302-C327 WeakPolarHBondContact CB-O 3.32Å; N302-C327 VanDerWaalsContact CG-SG 3.58Å
328E87Confident88.7Confident157 Ų15754.6 Ų54.673%0.73427%0.271SS*.  trans-70.9146.6171.9-69.3-63.615100109.9H330E328-H330 PolarHBondContact O-N 3.05Å
329P74.4Confident88Confident48 Ų4857.9 Ų57.931%0.31229%0.289SS..  trans-62.2130.417623.4-30.5000111.4F331P329-F331 HydrophobicContact CB-CE1 4.29Å; P329-F331 HydrophobicContact CB-CE2 4.12Å; P329-F331 HydrophobicContact CB-CZ 3.93Å; P329-F331 HydrophobicContact CG-CE2 3.74Å; P329-F331 HydrophobicContact CG-CZ 3.68Å
330H68.6Low87.2Confident92 Ų9262.4 Ų62.443%0.42631%0.311SS..  trans-89.6105.6170.5-67.4-58.2000109.5E328E328-H330 PolarHBondContact O-N 3.05Å
331F49.1Very low86.3Confident170 Ų17068 Ų6875%0.74634%0.339SS*.  trans-84.90-176.8-66.7-69.1000114.6G235 P329G235-F331 VanDerWaalsContact C-CE1 3.45Å; G235-F331 VanDerWaalsContact O-CE1 3.29Å; G235-F331 WeakPolarHBondContact O-CE1 3.32Å; P329-F331 HydrophobicContact CB-CE1 4.29Å; P329-F331 HydrophobicContact CB-CE2 4.12Å; P329-F331 HydrophobicContact CB-CZ 3.93Å; P329-F331 HydrophobicContact CG-CE2 3.74Å; P329-F331 HydrophobicContact CG-CZ 3.68Å

Retrieved 331 of 331 residues in 676 ms (Link to these results)

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