A0A077Z0K9_TRITR Loading...

Dihydroorotate dehydrogenase (quinone), mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z0K9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 406 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
1M52.2Low71.5Confident235 Ų235136.5 Ų136.5100%1.15866%0.66SS**  0-31.60-120.4166.8172.600114.3
2Y57.2Low72.8Confident208 Ų208139.8 Ų139.882%0.81666%0.66SS**G310 helixtrans-79.6-12.4-173.3-73.3-82.5000117.6R4Y2-R4 PolarHBondContact O-N 3.03Å
3R56.4Low73.9Confident256 Ų256132.1 Ų132.197%0.96663%0.631SS**G310 helixtrans-70.46.4-174-101.8-174.3179.9-173.40116.1
4R67.3Low75Confident236 Ų236128.4 Ų128.489%0.89162%0.621SS**G310 helixtrans-124.24.4-174.3-72.7-169.6179.2-1740.6115.8Y2Y2-R4 PolarHBondContact O-N 3.03Å
5L69.1Low75.9Confident87 Ų87123.8 Ų123.846%0.45561%0.612SS.*  trans-81122.5174.9-61.2-179.1000109.7F9 V10L5-F9 HydrophobicContact CB-CD1 4.21Å; L5-F9 HydrophobicContact CD1-CD1 4.1Å; L5-F9 HydrophobicContact CD1-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CD1 3.54Å; L5-F9 HydrophobicContact CD2-CE1 3.6Å; L5-F9 HydrophobicContact CD2-CG 4.29Å; L5-F9 HydrophobicContact CD2-CZ 4.42Å; L5-F9 HydrophobicContact CG-CD1 4.14Å; L5-F9 HydrophobicContact CG-CE1 4.4Å; L5-V10 HydrophobicContact CB-CG2 3.78Å; L5-V10 HydrophobicContact CD1-CG2 4.32Å
6T78.1Confident76.7Confident93 Ų93120.3 Ų120.357%0.57161%0.609SS**  trans-66.6147.8172.757.60000109.5G8 F9 V10T6-G8 PolarHBondContact O-N 2.92Å; T6-G8 VanDerWaalsContact O-N 3.15Å; T6-F9 WeakPolarHBondContact O-CA 3.41Å; T6-F9 WeakPolarHBondContact O-CB 3.47Å; T6-F9 PolarHBondContact O-N 2.87Å; T6-F9 PolarHBondContact OG1-N 2.83Å; T6-V10 PolarHBondContact O-N 3.17Å
7V78.8Confident77.6Confident118 Ų118120.4 Ų120.472%0.71561%0.61SS**Hα-helixtrans-51-41.1176.4177.60000110.7F9 V10 C11V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 2.8Å; V7-V10 PolarHBondContact O-N 3.12Å; V7-C11 WeakPolarHBondContact O-CB 3.48Å; V7-C11 PolarHBondContact O-N 3.43Å; V7-C11 PolarHBondContact O-SG 2.96Å
8G81.8Confident78.3Confident38 Ų38118.6 Ų118.639%0.39261%0.606SS.*Hα-helixtrans-66.2-25.9175.700000115.4T6 R12T6-G8 PolarHBondContact O-N 2.92Å; T6-G8 VanDerWaalsContact O-N 3.15Å; G8-R12 WeakPolarHBondContact O-CB 3.35Å; G8-R12 VanDerWaalsContact O-CG 3.32Å; G8-R12 WeakPolarHBondContact O-CG 3.39Å; G8-R12 PolarHBondContact O-N 2.85Å; G8-R12 PolarHBondContact O-NE 3.13Å; G8-R12 VanDerWaalsContact O-NE 3.07Å
9F80.1Confident79Confident91 Ų91115.3 Ų115.340%0.39960%0.599SS.*Hα-helixtrans-73.3-48.1169.5-179.2-88.3000110.6L5 T6 V7 C11 R12 S13L5-F9 HydrophobicContact CB-CD1 4.21Å; L5-F9 HydrophobicContact CD1-CD1 4.1Å; L5-F9 HydrophobicContact CD1-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CD1 3.54Å; L5-F9 HydrophobicContact CD2-CE1 3.6Å; L5-F9 HydrophobicContact CD2-CG 4.29Å; L5-F9 HydrophobicContact CD2-CZ 4.42Å; L5-F9 HydrophobicContact CG-CD1 4.14Å; L5-F9 HydrophobicContact CG-CE1 4.4Å; T6-F9 WeakPolarHBondContact O-CA 3.41Å; T6-F9 WeakPolarHBondContact O-CB 3.47Å; T6-F9 PolarHBondContact O-N 2.87Å; T6-F9 PolarHBondContact OG1-N 2.83Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 2.8Å; F9-C11 VanDerWaalsContact C-N 3.34Å; F9-C11 PolarHBondContact O-N 3.26Å; F9-R12 PolarHBondContact O-N 3.16Å; F9-S13 WeakPolarHBondContact CE1-OG 3.25Å; F9-S13 PolarHBondContact O-N 3.21Å; F9-S13 PolarHBondContact O-OG 3.37Å
10V80.3Confident79.6Confident65 Ų65111.5 Ų111.539%0.39459%0.59SS.*Hα-helixtrans-57.8-47.4178.8179.20000110.7L5 T6 V7 R12 S13 V14L5-V10 HydrophobicContact CB-CG2 3.78Å; L5-V10 HydrophobicContact CD1-CG2 4.32Å; T6-V10 PolarHBondContact O-N 3.17Å; V7-V10 PolarHBondContact O-N 3.12Å; V10-R12 PolarHBondContact O-N 3.12Å; V10-S13 PolarHBondContact O-N 3.39Å; V10-V14 HydrophobicContact CG1-CG2 4.16Å; V10-V14 WeakPolarHBondContact O-CB 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.22Å
11C85.8Confident80.3Confident75 Ų75110 Ų11051%0.50759%0.588SS.*Hα-helixtrans-59.6-43.2177.6-67.50000112.5V7 F9 A15V7-C11 WeakPolarHBondContact O-CB 3.48Å; V7-C11 PolarHBondContact O-N 3.43Å; V7-C11 PolarHBondContact O-SG 2.96Å; F9-C11 VanDerWaalsContact C-N 3.34Å; F9-C11 PolarHBondContact O-N 3.26Å; C11-A15 VanDerWaalsContact O-CB 3.29Å; C11-A15 WeakPolarHBondContact O-CB 3.34Å; C11-A15 PolarHBondContact O-N 3.15Å
12R86.3Confident82.3Confident175 Ų175101.5 Ų101.566%0.6656%0.555SS**Hα-helixtrans-66.9-43.7178.1-77.4-175.4-69.5179.90.6112.4G8 F9 V10 A15 A16G8-R12 WeakPolarHBondContact O-CB 3.35Å; G8-R12 VanDerWaalsContact O-CG 3.32Å; G8-R12 WeakPolarHBondContact O-CG 3.39Å; G8-R12 PolarHBondContact O-N 2.85Å; G8-R12 PolarHBondContact O-NE 3.13Å; G8-R12 VanDerWaalsContact O-NE 3.07Å; F9-R12 PolarHBondContact O-N 3.16Å; V10-R12 PolarHBondContact O-N 3.12Å; R12-A15 PolarHBondContact O-N 3.1Å; R12-A16 WeakPolarHBondContact O-CB 3.17Å; R12-A16 PolarHBondContact O-N 2.94Å
13S86.8Confident84Confident40 Ų4096.6 Ų96.628%0.2855%0.547SS..Hα-helixtrans-64.6-43.4177.2-63.20000111.8F9 V10 A16 L17F9-S13 WeakPolarHBondContact CE1-OG 3.25Å; F9-S13 PolarHBondContact O-N 3.21Å; F9-S13 PolarHBondContact O-OG 3.37Å; V10-S13 PolarHBondContact O-N 3.39Å; S13-A16 PolarHBondContact O-N 3.41Å; S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 VanDerWaalsContact O-CG 3.26Å; S13-L17 WeakPolarHBondContact O-CG 3.47Å; S13-L17 PolarHBondContact O-N 3.09Å
14V89.6Confident85.8Confident80 Ų8087.3 Ų87.349%0.48553%0.525SS..Hα-helixtrans-63.1-43.7176.2171.30000110.8V10 L17 T18V10-V14 HydrophobicContact CG1-CG2 4.16Å; V10-V14 WeakPolarHBondContact O-CB 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.22Å; V14-L17 PolarHBondContact O-N 3.02Å; V14-T18 VanDerWaalsContact O-CB 3.3Å; V14-T18 WeakPolarHBondContact O-CB 3.31Å; V14-T18 PolarHBondContact O-N 2.91Å; V14-T18 PolarHBondContact O-OG1 3.23Å
15A88.5Confident87.2Confident60 Ų6081.2 Ų81.250%0.49651%0.505SS..Hα-helixtrans-61.8-46176.700000112C11 R12 T18 A19C11-A15 VanDerWaalsContact O-CB 3.29Å; C11-A15 WeakPolarHBondContact O-CB 3.34Å; C11-A15 PolarHBondContact O-N 3.15Å; R12-A15 PolarHBondContact O-N 3.1Å; A15-T18 PolarHBondContact O-N 3.41Å; A15-A19 VanDerWaalsContact O-CB 3.32Å; A15-A19 WeakPolarHBondContact O-CB 3.23Å; A15-A19 PolarHBondContact O-N 3.11Å
16A89Confident88.4Confident67 Ų6778.6 Ų78.655%0.55450%0.496SS*.Hα-helixtrans-63.8-44.2178.100000112.3R12 S13 G20R12-A16 WeakPolarHBondContact O-CB 3.17Å; R12-A16 PolarHBondContact O-N 2.94Å; S13-A16 PolarHBondContact O-N 3.41Å; A16-G20 PolarHBondContact O-N 2.97Å
17L91.2Very high89.1Confident122 Ų12276.9 Ų76.964%0.63949%0.491SS*.Hα-helixtrans-63.6-45.4176.6-73.3171.2000111.3S13 V14 G20 S21S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 VanDerWaalsContact O-CG 3.26Å; S13-L17 WeakPolarHBondContact O-CG 3.47Å; S13-L17 PolarHBondContact O-N 3.09Å; V14-L17 PolarHBondContact O-N 3.02Å; L17-G20 PolarHBondContact O-N 3.45Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.38Å; L17-S21 PolarHBondContact O-OG 3.29Å; L17-S21 VanDerWaalsContact O-OG 3.06Å
18T91.5Very high89.9Confident88 Ų8876.6 Ų76.654%0.5448%0.483SS..Hα-helixtrans-63.7-45.8-179.9-54.30000111.2V14 A15 S21 A22V14-T18 VanDerWaalsContact O-CB 3.3Å; V14-T18 WeakPolarHBondContact O-CB 3.31Å; V14-T18 PolarHBondContact O-N 2.91Å; V14-T18 PolarHBondContact O-OG1 3.23Å; A15-T18 PolarHBondContact O-N 3.41Å; T18-S21 PolarHBondContact O-N 2.97Å; T18-A22 WeakPolarHBondContact O-CB 3.47Å; T18-A22 PolarHBondContact O-N 2.91Å
19A90.6Very high90.6Very high56 Ų5676 Ų7646%0.46347%0.47SS..Hα-helixtrans-63.9-44.917700000111.7A15 A22 V23A15-A19 VanDerWaalsContact O-CB 3.32Å; A15-A19 WeakPolarHBondContact O-CB 3.23Å; A15-A19 PolarHBondContact O-N 3.11Å; A19-A22 PolarHBondContact O-N 3.24Å; A19-V23 WeakPolarHBondContact O-CG2 3.17Å; A19-V23 PolarHBondContact O-N 3.19Å
20G92.5Very high91.3Very high40 Ų4073.1 Ų73.141%0.41246%0.46SS..Hα-helixtrans-61.1-44.7176.600000112.6A16 L17 V23 A24A16-G20 PolarHBondContact O-N 2.97Å; L17-G20 PolarHBondContact O-N 3.45Å; G20-V23 PolarHBondContact O-N 3.39Å; G20-A24 WeakPolarHBondContact O-CB 3.39Å; G20-A24 PolarHBondContact O-N 3.33Å
21S93.9Very high91.9Very high79 Ų7973 Ų7355%0.55247%0.466SS*.Hα-helixtrans-63.6-39.7175.6-67.30000112.3L17 T18 A24 F25L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.38Å; L17-S21 PolarHBondContact O-OG 3.29Å; L17-S21 VanDerWaalsContact O-OG 3.06Å; T18-S21 PolarHBondContact O-N 2.97Å; S21-A24 PolarHBondContact O-N 3.28Å; S21-F25 VanDerWaalsContact O-CB 3.24Å; S21-F25 WeakPolarHBondContact O-CB 3.43Å; S21-F25 PolarHBondContact O-N 3.08Å
22A92.9Very high92.2Very high58 Ų5872.5 Ų72.548%0.47946%0.463SS..Hα-helixtrans-64.3-42.3176.500000112.1T18 A19 F25 A26T18-A22 WeakPolarHBondContact O-CB 3.47Å; T18-A22 PolarHBondContact O-N 2.91Å; A19-A22 PolarHBondContact O-N 3.24Å; A22-F25 PolarHBondContact O-N 3Å; A22-A26 WeakPolarHBondContact O-CB 3.16Å; A22-A26 PolarHBondContact O-N 3.39Å
23V93.3Very high92.6Very high105 Ų10564.4 Ų64.464%0.63643%0.434SS*.Hα-helixtrans-64.9-45.3175.5172.60000111.1A19 G20 F25 A26 A27A19-V23 WeakPolarHBondContact O-CG2 3.17Å; A19-V23 PolarHBondContact O-N 3.19Å; G20-V23 PolarHBondContact O-N 3.39Å; V23-F25 PolarHBondContact O-N 3.39Å; V23-A26 PolarHBondContact O-N 3.1Å; V23-A27 WeakPolarHBondContact O-CB 3.33Å; V23-A27 PolarHBondContact O-N 3.38Å
24A94.7Very high93Very high60 Ų6065.1 Ų65.150%0.49644%0.435SS..Hα-helixtrans-62.5-42.6177.700000111.9G20 S21 A27 M28G20-A24 WeakPolarHBondContact O-CB 3.39Å; G20-A24 PolarHBondContact O-N 3.33Å; S21-A24 PolarHBondContact O-N 3.28Å; A24-A27 PolarHBondContact O-N 3.18Å; A24-M28 WeakPolarHBondContact O-CB 3.42Å; A24-M28 PolarHBondContact O-N 2.9Å
25F95.5Very high93.3Very high108 Ų10862.9 Ų62.947%0.47442%0.419SS..Hα-helixtrans-60.9-51.5174.6177.3-102.8000111.2S21 A22 V23 A27 M28 E29 F37S21-F25 VanDerWaalsContact O-CB 3.24Å; S21-F25 WeakPolarHBondContact O-CB 3.43Å; S21-F25 PolarHBondContact O-N 3.08Å; A22-F25 PolarHBondContact O-N 3Å; V23-F25 PolarHBondContact O-N 3.39Å; F25-A27 VanDerWaalsContact C-N 3.29Å; F25-A27 PolarHBondContact O-N 3.04Å; F25-M28 HydrophobicContact CD2-CE 4.09Å; F25-M28 HydrophobicContact CE2-CE 4.41Å; F25-M28 WeakPolarHBondContact O-CB 3.32Å; F25-M28 PolarHBondContact O-N 2.96Å; F25-M28 VanDerWaalsContact O-N 3.11Å; F25-E29 HydrophobicContact CD1-CG 4.19Å; F25-E29 HydrophobicContact CD2-CG 4.11Å; F25-E29 HydrophobicContact CE1-CG 3.77Å; F25-E29 HydrophobicContact CE2-CG 3.67Å; F25-E29 WeakPolarHBondContact CE2-OE1 3.44Å; F25-E29 HydrophobicContact CG-CG 4.35Å; F25-E29 HydrophobicContact CZ-CG 3.49Å; F25-E29 VanDerWaalsContact CZ-CG 3.49Å; F25-E29 WeakPolarHBondContact O-CG 3.16Å; F25-E29 PolarHBondContact O-N 3.15Å; F25-F37 HydrophobicContact CE1-CD2 4.35Å; F25-F37 HydrophobicContact CE1-CE2 4.35Å
26A95.1Very high93.7Very high32 Ų3266.8 Ų66.826%0.26443%0.427SS..Hα-helixtrans-58.4-40.8177.900000112.4A22 V23 T30 F37A22-A26 WeakPolarHBondContact O-CB 3.16Å; A22-A26 PolarHBondContact O-N 3.39Å; V23-A26 PolarHBondContact O-N 3.1Å; A26-T30 VanDerWaalsContact O-CB 3.27Å; A26-T30 WeakPolarHBondContact O-CB 3.33Å; A26-T30 PolarHBondContact O-N 3.14Å; A26-T30 PolarHBondContact O-OG1 3.33Å; A26-F37 HydrophobicContact CB-CE2 4.39Å; A26-F37 HydrophobicContact CB-CZ 3.71Å
27A93.8Very high94.1Very high57 Ų5764.6 Ų64.647%0.47141%0.406SS..Hα-helixtrans-64.4-43.1175.800000111.9V23 A24 F25 T30 A31V23-A27 WeakPolarHBondContact O-CB 3.33Å; V23-A27 PolarHBondContact O-N 3.38Å; A24-A27 PolarHBondContact O-N 3.18Å; F25-A27 VanDerWaalsContact C-N 3.29Å; F25-A27 PolarHBondContact O-N 3.04Å; A27-T30 PolarHBondContact O-N 3.24Å; A27-A31 VanDerWaalsContact O-CB 3.24Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.15Å
28M95.4Very high94.4Very high112 Ų11259.1 Ų59.155%0.55238%0.376SS*.Hα-helixtrans-64.1-47.2177.4-175.3-176.872.700111.9A24 F25 T30 A31 S32A24-M28 WeakPolarHBondContact O-CB 3.42Å; A24-M28 PolarHBondContact O-N 2.9Å; F25-M28 HydrophobicContact CD2-CE 4.09Å; F25-M28 HydrophobicContact CE2-CE 4.41Å; F25-M28 WeakPolarHBondContact O-CB 3.32Å; F25-M28 PolarHBondContact O-N 2.96Å; F25-M28 VanDerWaalsContact O-N 3.11Å; M28-T30 VanDerWaalsContact C-N 3.33Å; M28-T30 PolarHBondContact O-N 2.98Å; M28-A31 PolarHBondContact O-N 3.16Å; M28-S32 WeakPolarHBondContact O-CB 3.37Å; M28-S32 PolarHBondContact O-N 3.01Å; M28-S32 PolarHBondContact O-OG 3.33Å
29E96Very high94.6Very high25 Ų2555.5 Ų55.512%0.11736%0.356CS..Hα-helixtrans-66.2-35.6178.6-66-5413700112.5F25 S32 G33 N34 F37F25-E29 HydrophobicContact CD1-CG 4.19Å; F25-E29 HydrophobicContact CD2-CG 4.11Å; F25-E29 HydrophobicContact CE1-CG 3.77Å; F25-E29 HydrophobicContact CE2-CG 3.67Å; F25-E29 WeakPolarHBondContact CE2-OE1 3.44Å; F25-E29 HydrophobicContact CG-CG 4.35Å; F25-E29 HydrophobicContact CZ-CG 3.49Å; F25-E29 VanDerWaalsContact CZ-CG 3.49Å; F25-E29 WeakPolarHBondContact O-CG 3.16Å; F25-E29 PolarHBondContact O-N 3.15Å; E29-S32 WeakPolarHBondContact CA-OG 3.47Å; E29-S32 PolarHBondContact O-OG 2.96Å; E29-S32 VanDerWaalsContact O-OG 3.05Å; E29-G33 PolarHBondContact O-N 3.29Å; E29-N34 HydrophobicContact CB-CB 4.37Å; E29-N34 PolarHBondContact O-N 3.17Å; E29-N34 VanDerWaalsContact O-N 3.1Å; E29-N34 WeakPolarHBondContact OE2-CB 3.44Å; E29-N34 PolarHBondContact OE2-ND2 2.86Å; E29-F37 HydrophobicContact CB-CB 3.78Å; E29-F37 HydrophobicContact CB-CD1 3.49Å; E29-F37 VanDerWaalsContact CB-CD1 3.49Å; E29-F37 HydrophobicContact CB-CD2 3.76Å; E29-F37 HydrophobicContact CB-CE1 4Å; E29-F37 HydrophobicContact CB-CE2 4.24Å; E29-F37 HydrophobicContact CB-CG 3.37Å; E29-F37 HydrophobicContact CB-CZ 4.36Å; E29-F37 HydrophobicContact CG-CB 4.33Å; E29-F37 HydrophobicContact CG-CD2 4.03Å; E29-F37 HydrophobicContact CG-CG 4.06Å
30T93.9Very high95Very high31 Ų3157.7 Ų57.719%0.1936%0.36CS..Hα-helixtrans-65.6-46.9172.2-56.20000110.5A26 A27 M28 S32 G33 F37 Y38 L42 P69A26-T30 VanDerWaalsContact O-CB 3.27Å; A26-T30 WeakPolarHBondContact O-CB 3.33Å; A26-T30 PolarHBondContact O-N 3.14Å; A26-T30 PolarHBondContact O-OG1 3.33Å; A27-T30 PolarHBondContact O-N 3.24Å; M28-T30 VanDerWaalsContact C-N 3.33Å; M28-T30 PolarHBondContact O-N 2.98Å; T30-S32 PolarHBondContact O-N 3.42Å; T30-G33 PolarHBondContact O-N 3.16Å; T30-F37 WeakPolarHBondContact OG1-CE1 3.47Å; T30-Y38 HydrophobicContact CG2-CE2 4.37Å; T30-Y38 WeakPolarHBondContact O-CE2 3.36Å; T30-Y38 PolarHBondContact O-OH 3.36Å; T30-L42 HydrophobicContact CG2-CD2 3.86Å; T30-P69 HydrophobicContact CG2-CG 4.26Å
31A92.8Very high95.2Very high64 Ų6464.4 Ų64.453%0.52937%0.372SS..Hα-helixtrans-67.7-34.9-178.700000113.2A27 M28 G33A27-A31 VanDerWaalsContact O-CB 3.24Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.15Å; M28-A31 PolarHBondContact O-N 3.16Å; A31-G33 PolarHBondContact O-N 3.14Å
32S93.8Very high95.3Very high63 Ų6363.2 Ų63.244%0.44136%0.36SS..Hα-helixtrans-71.8-18.6176.670.80000112.6M28 E29 T30 N34 S71M28-S32 WeakPolarHBondContact O-CB 3.37Å; M28-S32 PolarHBondContact O-N 3.01Å; M28-S32 PolarHBondContact O-OG 3.33Å; E29-S32 WeakPolarHBondContact CA-OG 3.47Å; E29-S32 PolarHBondContact O-OG 2.96Å; E29-S32 VanDerWaalsContact O-OG 3.05Å; T30-S32 PolarHBondContact O-N 3.42Å; S32-N34 PolarHBondContact OG-N 2.8Å; S32-S71 WeakPolarHBondContact O-CB 3.35Å
33G93.8Very high95.5Very high5 Ų561 Ų615%0.05234%0.34CS..THydrogen-bonded Turntrans68.939.7-172.200000112E29 T30 A31 E35 P363E29-G33 PolarHBondContact O-N 3.29Å; T30-G33 PolarHBondContact O-N 3.16Å; A31-G33 PolarHBondContact O-N 3.14Å; G33-E35 PolarHBondContact O-N 3.45Å; G33-E35 VanDerWaalsContact O-N 3.15Å; G33-P363 VanDerWaalsContact O-CB 3.26Å; G33-P363 WeakPolarHBondContact O-CB 3.29Å
34N95.6Very high95.7Very high56 Ų5658.9 Ų58.930%0.29933%0.328SS..  trans-64114177.2-178.7-43.8000110.6E29 S32 E36 F37 Y38E29-N34 HydrophobicContact CB-CB 4.37Å; E29-N34 PolarHBondContact O-N 3.17Å; E29-N34 VanDerWaalsContact O-N 3.1Å; E29-N34 WeakPolarHBondContact OE2-CB 3.44Å; E29-N34 PolarHBondContact OE2-ND2 2.86Å; S32-N34 PolarHBondContact OG-N 2.8Å; N34-E36 VanDerWaalsContact C-N 3.33Å; N34-E36 PolarHBondContact O-N 3.04Å; N34-E36 PolarHBondContact OD1-N 3.11Å; N34-F37 HydrophobicContact CB-CB 3.91Å; N34-F37 PolarHBondContact O-N 3.14Å; N34-F37 PolarHBondContact OD1-N 2.92Å; N34-Y38 VanDerWaalsContact O-CD2 3.29Å; N34-Y38 WeakPolarHBondContact O-CD2 3.47Å; N34-Y38 PolarHBondContact O-N 2.84Å
35E95.9Very high95.7Very high32 Ų3258.8 Ų58.815%0.1533%0.327CS..Hα-helixtrans-60.1-39.7-174.1-65.8163.7-166.900112.6G33 A39 P363 R367 R370G33-E35 PolarHBondContact O-N 3.45Å; G33-E35 VanDerWaalsContact O-N 3.15Å; E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 3.28Å; E35-P363 HydrophobicContact CG-CB 3.76Å; E35-R367 PolarHBondContact OE1-N 3.4Å; E35-R367 VanDerWaalsContact OE2-CB 3.3Å; E35-R367 WeakPolarHBondContact OE2-CB 3.26Å; E35-R367 WeakPolarHBondContact OE2-CG 2.98Å; E35-R370 IonicContact OE1-CZ 3.64Å; E35-R370 VanDerWaalsContact OE1-CZ 3.27Å; E35-R370 IonicContact OE1-NH1 3.06Å; E35-R370 PolarHBondContact OE1-NH1 2.96Å; E35-R370 IonicContact OE1-NH2 3.17Å; E35-R370 PolarHBondContact OE1-NH2 2.88Å; E35-R370 IonicContact OE2-CZ 3.56Å; E35-R370 IonicContact OE2-NH2 3.36Å; E35-R370 PolarHBondContact OE2-NH2 3.43Å
36E96.3Very high95.7Very high142 Ų14255.7 Ų55.766%0.66432%0.315SS*.Hα-helixtrans-72.3-40.6178.6-67-173.317400111.8N34 Y38 A39 N40N34-E36 VanDerWaalsContact C-N 3.33Å; N34-E36 PolarHBondContact O-N 3.04Å; N34-E36 PolarHBondContact OD1-N 3.11Å; E36-Y38 VanDerWaalsContact C-N 3.31Å; E36-Y38 PolarHBondContact O-N 3.27Å; E36-A39 PolarHBondContact O-N 3Å; E36-N40 WeakPolarHBondContact O-CB 3.37Å; E36-N40 PolarHBondContact O-N 3.47Å; E36-N40 PolarHBondContact O-ND2 3.15Å
37F97.2Very high95.7Very high22 Ų2255.4 Ų55.410%0.09631%0.308CS..Hα-helixtrans-62.1-42.9176-178.2-98.8000111.1F25 A26 E29 T30 N34 W41 L42F25-F37 HydrophobicContact CE1-CD2 4.35Å; F25-F37 HydrophobicContact CE1-CE2 4.35Å; A26-F37 HydrophobicContact CB-CE2 4.39Å; A26-F37 HydrophobicContact CB-CZ 3.71Å; E29-F37 HydrophobicContact CB-CB 3.78Å; E29-F37 HydrophobicContact CB-CD1 3.49Å; E29-F37 VanDerWaalsContact CB-CD1 3.49Å; E29-F37 HydrophobicContact CB-CD2 3.76Å; E29-F37 HydrophobicContact CB-CE1 4Å; E29-F37 HydrophobicContact CB-CE2 4.24Å; E29-F37 HydrophobicContact CB-CG 3.37Å; E29-F37 HydrophobicContact CB-CZ 4.36Å; E29-F37 HydrophobicContact CG-CB 4.33Å; E29-F37 HydrophobicContact CG-CD2 4.03Å; E29-F37 HydrophobicContact CG-CG 4.06Å; T30-F37 WeakPolarHBondContact OG1-CE1 3.47Å; N34-F37 HydrophobicContact CB-CB 3.91Å; N34-F37 PolarHBondContact O-N 3.14Å; N34-F37 PolarHBondContact OD1-N 2.92Å; F37-W41 HydrophobicContact CD2-CB 3.99Å; F37-W41 HydrophobicContact CD2-CG 4.23Å; F37-W41 HydrophobicContact CE2-CB 3.85Å; F37-W41 HydrophobicContact CE2-CG 4.28Å; F37-W41 HydrophobicContact CZ-CB 4.33Å; F37-W41 WeakPolarHBondContact O-CA 3.42Å; F37-W41 WeakPolarHBondContact O-CB 3.44Å; F37-W41 PolarHBondContact O-N 3.49Å; F37-L42 HydrophobicContact CD1-CB 4.21Å; F37-L42 HydrophobicContact CE1-CB 3.91Å; F37-L42 PolarHBondContact O-N 3.43Å
38Y97.3Very high95.8Very high6 Ų662.6 Ų62.62%0.02432%0.324CS..Iπ-helixtrans-60-53.5175.3-91.5-102.7000111.5T30 N34 E36 L42 I43 E360 P363T30-Y38 HydrophobicContact CG2-CE2 4.37Å; T30-Y38 WeakPolarHBondContact O-CE2 3.36Å; T30-Y38 PolarHBondContact O-OH 3.36Å; N34-Y38 VanDerWaalsContact O-CD2 3.29Å; N34-Y38 WeakPolarHBondContact O-CD2 3.47Å; N34-Y38 PolarHBondContact O-N 2.84Å; E36-Y38 VanDerWaalsContact C-N 3.31Å; E36-Y38 PolarHBondContact O-N 3.27Å; Y38-L42 HydrophobicContact CD1-CD2 3.72Å; Y38-L42 HydrophobicContact CD2-CD2 4.3Å; Y38-L42 HydrophobicContact CE1-CD2 3.55Å; Y38-L42 HydrophobicContact CE2-CD2 4.15Å; Y38-L42 HydrophobicContact CG-CD2 4.12Å; Y38-I43 VanDerWaalsContact O-CB 3.29Å; Y38-I43 WeakPolarHBondContact O-CB 3.04Å; Y38-I43 VanDerWaalsContact O-CG1 3.25Å; Y38-I43 WeakPolarHBondContact O-CG1 3.21Å; Y38-I43 PolarHBondContact O-N 2.94Å; Y38-E360 WeakPolarHBondContact CB-O 3.32Å; Y38-P363 HydrophobicContact CD1-CG 4.28Å; Y38-P363 HydrophobicContact CD2-CG 3.83Å; Y38-P363 HydrophobicContact CE1-CG 4.28Å; Y38-P363 HydrophobicContact CE2-CG 3.83Å; Y38-P363 HydrophobicContact CG-CG 4.03Å
39A97Very high95.9Very high13 Ų1362.1 Ų62.111%0.10733%0.327CS..Iπ-helixtrans-68-36.3-174.800000113.9E35 E36 P44 E360E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 3.28Å; E36-A39 PolarHBondContact O-N 3Å; A39-P44 WeakPolarHBondContact O-CD 3.36Å; A39-P44 WeakPolarHBondContact O-CG 3.48Å; A39-E360 HydrophobicContact CB-CB 4.14Å; A39-E360 HydrophobicContact CB-CG 3.99Å
40N97.3Very high95.9Very high102 Ų10262.4 Ų62.455%0.54533%0.329SS..Iπ-helixtrans-101-21.2-170.2-60.9-37.7000113.9E36E36-N40 WeakPolarHBondContact O-CB 3.37Å; E36-N40 PolarHBondContact O-N 3.47Å; E36-N40 PolarHBondContact O-ND2 3.15Å
41W96.7Very high96.1Very high180 Ų18064.4 Ų64.468%0.68234%0.339SS*.Iπ-helixtrans-126.6-60.7-175.1-63.896.1000112.8F37 A45F37-W41 HydrophobicContact CD2-CB 3.99Å; F37-W41 HydrophobicContact CD2-CG 4.23Å; F37-W41 HydrophobicContact CE2-CB 3.85Å; F37-W41 HydrophobicContact CE2-CG 4.28Å; F37-W41 HydrophobicContact CZ-CB 4.33Å; F37-W41 WeakPolarHBondContact O-CA 3.42Å; F37-W41 WeakPolarHBondContact O-CB 3.44Å; F37-W41 PolarHBondContact O-N 3.49Å; W41-A45 VanDerWaalsContact O-CB 3.22Å; W41-A45 WeakPolarHBondContact O-CB 3.32Å; W41-A45 PolarHBondContact O-N 3.42Å
42L96.3Very high96.3Very high55 Ų5562.8 Ų62.829%0.28832%0.323SS..Iπ-helixtrans-65.4-50.3-170.5-176.562.1000112.4T30 F37 Y38 A45 M46T30-L42 HydrophobicContact CG2-CD2 3.86Å; F37-L42 HydrophobicContact CD1-CB 4.21Å; F37-L42 HydrophobicContact CE1-CB 3.91Å; F37-L42 PolarHBondContact O-N 3.43Å; Y38-L42 HydrophobicContact CD1-CD2 3.72Å; Y38-L42 HydrophobicContact CD2-CD2 4.3Å; Y38-L42 HydrophobicContact CE1-CD2 3.55Å; Y38-L42 HydrophobicContact CE2-CD2 4.15Å; Y38-L42 HydrophobicContact CG-CD2 4.12Å; L42-A45 PolarHBondContact O-N 3.4Å; L42-M46 WeakPolarHBondContact O-CB 3.36Å; L42-M46 PolarHBondContact O-N 3.08Å
43I97Very high96.4Very high12 Ų1262.1 Ų62.16%0.06231%0.313CS..Hα-helixtrans-67.5-46.3-179.2-63.9-63.6000111.4Y38 A45 M46 H47 T358Y38-I43 VanDerWaalsContact O-CB 3.29Å; Y38-I43 WeakPolarHBondContact O-CB 3.04Å; Y38-I43 VanDerWaalsContact O-CG1 3.25Å; Y38-I43 WeakPolarHBondContact O-CG1 3.21Å; Y38-I43 PolarHBondContact O-N 2.94Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 2.72Å; I43-M46 HydrophobicContact CD1-CE 3.66Å; I43-M46 PolarHBondContact O-N 2.89Å; I43-H47 VanDerWaalsContact CG2-CE1 3.42Å; I43-H47 WeakPolarHBondContact CG2-CE1 3.49Å; I43-H47 WeakPolarHBondContact O-CB 3.3Å; I43-H47 VanDerWaalsContact O-CG 3.29Å; I43-H47 PolarHBondContact O-N 3.05Å; I43-T358 WeakPolarHBondContact CG2-O 3.48Å
44P97.3Very high96.6Very high60 Ų6068.9 Ų68.939%0.3934%0.337SS..Hα-helixtrans-55.5-43.6172-30.338.3000113.8A39 M46 H47 Y48A39-P44 WeakPolarHBondContact O-CD 3.36Å; A39-P44 WeakPolarHBondContact O-CG 3.48Å; P44-M46 PolarHBondContact O-N 3.38Å; P44-H47 PolarHBondContact O-N 2.94Å; P44-Y48 PolarHBondContact O-N 3.25Å
45A95.8Very high96.6Very high58 Ų5866.4 Ų66.448%0.47932%0.324SS..Hα-helixtrans-62.6-43.3176.600000111.9W41 L42 I43 H47 Y48 V49W41-A45 VanDerWaalsContact O-CB 3.22Å; W41-A45 WeakPolarHBondContact O-CB 3.32Å; W41-A45 PolarHBondContact O-N 3.42Å; L42-A45 PolarHBondContact O-N 3.4Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 2.72Å; A45-H47 VanDerWaalsContact C-N 3.32Å; A45-H47 PolarHBondContact O-N 3.17Å; A45-Y48 WeakPolarHBondContact O-CB 3.21Å; A45-Y48 PolarHBondContact O-N 3.34Å; A45-V49 WeakPolarHBondContact O-CG2 3.42Å; A45-V49 PolarHBondContact O-N 2.99Å
46M95.8Very high96.7Very high43 Ų4366.6 Ų66.621%0.21233%0.325CS..Hα-helixtrans-61.9-40.9174.4-177.4-179.663.500111.7L42 I43 P44 Y48 V49 L50 A55L42-M46 WeakPolarHBondContact O-CB 3.36Å; L42-M46 PolarHBondContact O-N 3.08Å; I43-M46 HydrophobicContact CD1-CE 3.66Å; I43-M46 PolarHBondContact O-N 2.89Å; P44-M46 PolarHBondContact O-N 3.38Å; M46-Y48 VanDerWaalsContact C-N 3.28Å; M46-Y48 PolarHBondContact O-N 2.91Å; M46-V49 PolarHBondContact O-N 2.8Å; M46-L50 HydrophobicContact CG-CD1 4.12Å; M46-L50 PolarHBondContact O-N 3.43Å; M46-A55 HydrophobicContact CE-CB 4.31Å; M46-A55 HydrophobicContact CG-CB 4.22Å; M46-A55 HydrophobicContact SD-CB 4.13Å
47H95.7Very high96.7Very high26 Ų2662.6 Ų62.612%0.1232%0.317CS..Hα-helixtrans-65.9-31.8178.6-73.7-180000113.1I43 P44 A45 R138 T358I43-H47 VanDerWaalsContact CG2-CE1 3.42Å; I43-H47 WeakPolarHBondContact CG2-CE1 3.49Å; I43-H47 WeakPolarHBondContact O-CB 3.3Å; I43-H47 VanDerWaalsContact O-CG 3.29Å; I43-H47 PolarHBondContact O-N 3.05Å; P44-H47 PolarHBondContact O-N 2.94Å; A45-H47 VanDerWaalsContact C-N 3.32Å; A45-H47 PolarHBondContact O-N 3.17Å; H47-R138 VanDerWaalsContact CA-NH1 3.31Å; H47-R138 PolarHBondContact CD2-NE 2.96Å; H47-R138 PolarHBondContact NE2-NE 3.44Å; H47-R138 PolarHBondContact O-NH1 3.08Å; H47-R138 VanDerWaalsContact O-NH1 3.12Å; H47-T358 PolarHBondContact CE1-O 2.94Å; H47-T358 PolarHBondContact NE2-O 3.41Å; H47-T358 VanDerWaalsContact NE2-O 3.08Å
48Y95.4Very high96.7Very high208 Ų20864.7 Ų64.782%0.81633%0.331SS*.Hα-helixtrans-68.8-36.3176.5-176.2-101.2000112.5P44 A45 M46P44-Y48 PolarHBondContact O-N 3.25Å; A45-Y48 WeakPolarHBondContact O-CB 3.21Å; A45-Y48 PolarHBondContact O-N 3.34Å; M46-Y48 VanDerWaalsContact C-N 3.28Å; M46-Y48 PolarHBondContact O-N 2.91Å
49V96.4Very high96.6Very high101 Ų10165.4 Ų65.461%0.61234%0.336SS*.Hα-helixtrans-99.1-19.3-173.6-57.50000114.6A45 M46A45-V49 WeakPolarHBondContact O-CG2 3.42Å; A45-V49 PolarHBondContact O-N 2.99Å; M46-V49 PolarHBondContact O-N 2.8Å
50L97.2Very high96.6Very high31 Ų3165.4 Ų65.416%0.16234%0.335CS..SBendtrans-127.4134.7-178.7-61.5176.6000111.9M46 R54 A55 V58 R138M46-L50 HydrophobicContact CG-CD1 4.12Å; M46-L50 PolarHBondContact O-N 3.43Å; L50-R54 HydrophobicContact CB-CB 4.36Å; L50-R54 HydrophobicContact CD2-CB 4.26Å; L50-A55 HydrophobicContact CB-CB 3.94Å; L50-A55 HydrophobicContact CD1-CB 4.28Å; L50-V58 HydrophobicContact CD1-CB 4.44Å; L50-V58 HydrophobicContact CD1-CG2 4.04Å; L50-R138 PolarHBondContact O-NH1 3.22Å; L50-R138 PolarHBondContact O-NH2 2.89Å
51D96.9Very high96.7Very high74 Ų7467.5 Ų67.540%0.39634%0.339SS..  trans-62.3165.7165.271.266.4000111.6E53 R54 A55 R138D51-E53 PolarHBondContact O-N 3.09Å; D51-E53 PolarHBondContact OD1-N 3.41Å; D51-E53 VanDerWaalsContact OD1-N 3.07Å; D51-R54 PolarHBondContact O-N 3.49Å; D51-R54 PolarHBondContact OD1-N 3.11Å; D51-R54 WeakPolarHBondContact OD2-CD 3.42Å; D51-R54 VanDerWaalsContact OD2-CG 3.26Å; D51-R54 WeakPolarHBondContact OD2-CG 3.42Å; D51-A55 WeakPolarHBondContact O-CB 3.26Å; D51-A55 PolarHBondContact O-N 3.14Å; D51-R138 VanDerWaalsContact C-NH2 3.3Å; D51-R138 PolarHBondContact O-NH2 3.11Å; D51-R138 VanDerWaalsContact O-NH2 3.13Å
52P96.9Very high96.6Very high29 Ų2961.8 Ų61.819%0.18832%0.321CS..Hα-helixtrans-59.1-41.9-173.4-28.440.1000115H56 I136 R138P52-H56 WeakPolarHBondContact O-CB 3.42Å; P52-H56 PolarHBondContact O-N 3.27Å; P52-H56 VanDerWaalsContact O-N 3.11Å; P52-I136 HydrophobicContact CB-CB 3.87Å; P52-I136 HydrophobicContact CB-CG2 3.58Å; P52-I136 HydrophobicContact CG-CG2 4.45Å; P52-I136 WeakPolarHBondContact CG-O 3.42Å; P52-R138 VanDerWaalsContact CA-NH2 3.32Å; P52-R138 HydrophobicContact CB-CG 4.42Å; P52-R138 HydrophobicContact CG-CG 3.87Å
53E96.6Very high96.6Very high49 Ų4959.3 Ų59.323%0.22931%0.308CS..Hα-helixtrans-73.1-40.1-178.6-75.8-170.3-112.600111.3D51 H56 A57 R135 I136D51-E53 PolarHBondContact O-N 3.09Å; D51-E53 PolarHBondContact OD1-N 3.41Å; D51-E53 VanDerWaalsContact OD1-N 3.07Å; E53-H56 PolarHBondContact O-N 3.27Å; E53-A57 WeakPolarHBondContact O-CB 3.48Å; E53-A57 PolarHBondContact O-N 2.8Å; E53-R135 VanDerWaalsContact OE1-CG 3.31Å; E53-R135 WeakPolarHBondContact OE1-CG 3.4Å; E53-R135 IonicContact OE1-NE 3.49Å; E53-R135 PolarHBondContact OE1-NE 2.99Å; E53-R135 VanDerWaalsContact OE1-NE 3.13Å; E53-R135 IonicContact OE2-CZ 2.63Å; E53-R135 IonicContact OE2-NE 3.57Å; E53-R135 PolarHBondContact OE2-NE 2.77Å; E53-R135 IonicContact OE2-NH2 2.86Å; E53-R135 PolarHBondContact OE2-NH2 3.44Å; E53-I136 HydrophobicContact CG-CB 4.48Å; E53-I136 HydrophobicContact CG-CD1 3.72Å; E53-I136 HydrophobicContact CG-CG1 4.09Å
54R97.2Very high96.6Very high147 Ų14763.9 Ų63.956%0.55533%0.328SS*.Hα-helixtrans-64.6-44.2175.2-71.6176.272.3-166.6-4.5112.3L50 D51 H56 A57 V58L50-R54 HydrophobicContact CB-CB 4.36Å; L50-R54 HydrophobicContact CD2-CB 4.26Å; D51-R54 PolarHBondContact O-N 3.49Å; D51-R54 PolarHBondContact OD1-N 3.11Å; D51-R54 WeakPolarHBondContact OD2-CD 3.42Å; D51-R54 VanDerWaalsContact OD2-CG 3.26Å; D51-R54 WeakPolarHBondContact OD2-CG 3.42Å; R54-H56 VanDerWaalsContact C-N 3.29Å; R54-H56 PolarHBondContact O-N 3.18Å; R54-A57 PolarHBondContact O-N 2.9Å; R54-V58 WeakPolarHBondContact O-CG2 3.34Å; R54-V58 PolarHBondContact O-N 2.96Å
55A97.2Very high96.6Very high4 Ų465.7 Ų65.73%0.03333%0.334CS..Hα-helixtrans-60.4-41.417700000111.7M46 L50 D51 T59M46-A55 HydrophobicContact CE-CB 4.31Å; M46-A55 HydrophobicContact CG-CB 4.22Å; M46-A55 HydrophobicContact SD-CB 4.13Å; L50-A55 HydrophobicContact CB-CB 3.94Å; L50-A55 HydrophobicContact CD1-CB 4.28Å; D51-A55 WeakPolarHBondContact O-CB 3.26Å; D51-A55 PolarHBondContact O-N 3.14Å; A55-T59 WeakPolarHBondContact O-CB 3.29Å; A55-T59 PolarHBondContact O-N 3.21Å; A55-T59 PolarHBondContact O-OG1 3.15Å
56H96.7Very high96.4Very high36 Ų3666 Ų6617%0.16734%0.343CS..Hα-helixtrans-63.3-47.7175.5-179.565.1000111.9P52 E53 R54 V58 T59 V60 F100P52-H56 WeakPolarHBondContact O-CB 3.42Å; P52-H56 PolarHBondContact O-N 3.27Å; P52-H56 VanDerWaalsContact O-N 3.11Å; E53-H56 PolarHBondContact O-N 3.27Å; R54-H56 VanDerWaalsContact C-N 3.29Å; R54-H56 PolarHBondContact O-N 3.18Å; H56-V58 VanDerWaalsContact C-N 3.34Å; H56-V58 PolarHBondContact O-N 3.32Å; H56-T59 WeakPolarHBondContact O-CB 3.24Å; H56-T59 PolarHBondContact O-N 3.41Å; H56-T59 VanDerWaalsContact O-N 3.1Å; H56-V60 WeakPolarHBondContact O-CG2 3.49Å; H56-V60 PolarHBondContact O-N 2.82Å; H56-F100 PolarHBondContact CE1-O 3.42Å; H56-F100 PolarHBondContact NE2-O 3.45Å; H56-F100 VanDerWaalsContact NE2-O 3.11Å
57A96.6Very high96.3Very high59 Ų5969.6 Ų69.649%0.48836%0.363SS..Hα-helixtrans-60.6-41.2178.400000112.5E53 R54 T59 V60 K61E53-A57 WeakPolarHBondContact O-CB 3.48Å; E53-A57 PolarHBondContact O-N 2.8Å; R54-A57 PolarHBondContact O-N 2.9Å; A57-T59 VanDerWaalsContact C-N 3.35Å; A57-V60 PolarHBondContact O-N 3.29Å; A57-K61 WeakPolarHBondContact O-CB 3.43Å; A57-K61 PolarHBondContact O-N 3.23Å
58V96.6Very high96.1Very high65 Ų6569.8 Ų69.839%0.39436%0.364SS..Hα-helixtrans-60.7-45.6173.21700000110.7L50 R54 H56 K61 L62L50-V58 HydrophobicContact CD1-CB 4.44Å; L50-V58 HydrophobicContact CD1-CG2 4.04Å; R54-V58 WeakPolarHBondContact O-CG2 3.34Å; R54-V58 PolarHBondContact O-N 2.96Å; H56-V58 VanDerWaalsContact C-N 3.34Å; H56-V58 PolarHBondContact O-N 3.32Å; V58-K61 PolarHBondContact O-N 3.38Å; V58-L62 HydrophobicContact CG1-CD1 4Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.45Å
59T96.4Very high95.9Very high22 Ų2261.6 Ų61.614%0.13534%0.336CS..Hα-helixtrans-60.6-48179.2-590000111.9A55 H56 A57 K61 L62 L63 M68 F100A55-T59 WeakPolarHBondContact O-CB 3.29Å; A55-T59 PolarHBondContact O-N 3.21Å; A55-T59 PolarHBondContact O-OG1 3.15Å; H56-T59 WeakPolarHBondContact O-CB 3.24Å; H56-T59 PolarHBondContact O-N 3.41Å; H56-T59 VanDerWaalsContact O-N 3.1Å; A57-T59 VanDerWaalsContact C-N 3.35Å; T59-K61 VanDerWaalsContact C-N 3.32Å; T59-K61 PolarHBondContact O-N 3.01Å; T59-L62 PolarHBondContact O-N 3.01Å; T59-L63 HydrophobicContact CG2-CD1 4.1Å; T59-L63 PolarHBondContact O-N 3.09Å; T59-M68 HydrophobicContact CG2-CE 3.9Å; T59-F100 HydrophobicContact CG2-CZ 3.82Å
60V97.6Very high95.6Very high12 Ų1259.1 Ų59.17%0.07332%0.319CS..Hα-helixtrans-60.3-42.7176.6171.40000110.7H56 A57 L63 K64 E105 C106H56-V60 WeakPolarHBondContact O-CG2 3.49Å; H56-V60 PolarHBondContact O-N 2.82Å; A57-V60 PolarHBondContact O-N 3.29Å; V60-L63 PolarHBondContact O-N 2.78Å; V60-K64 WeakPolarHBondContact O-CB 3.46Å; V60-K64 PolarHBondContact O-N 3.35Å; V60-E105 HydrophobicContact CG1-CB 3.95Å; V60-C106 HydrophobicContact CG1-CB 4.36Å
61K97.5Very high95.4Very high146 Ų14658 Ų5864%0.63531%0.314SS*.Hα-helixtrans-63.2-42.9177.1-168.7176.9-176.5178.90112A57 V58 T59 N65A57-K61 WeakPolarHBondContact O-CB 3.43Å; A57-K61 PolarHBondContact O-N 3.23Å; V58-K61 PolarHBondContact O-N 3.38Å; T59-K61 VanDerWaalsContact C-N 3.32Å; T59-K61 PolarHBondContact O-N 3.01Å; K61-N65 WeakPolarHBondContact O-CB 3.45Å; K61-N65 PolarHBondContact O-N 2.77Å; K61-N65 VanDerWaalsContact O-N 3.07Å; K61-N65 PolarHBondContact O-ND2 3.05Å
62L96.2Very high95.2Very high60 Ų6059.4 Ų59.431%0.31433%0.329SS..Hα-helixtrans-62.6-45177-71.3172.3000111.4V58 T59 N65 G66 L67 M68V58-L62 HydrophobicContact CG1-CD1 4Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.45Å; T59-L62 PolarHBondContact O-N 3.01Å; L62-N65 PolarHBondContact O-N 3.18Å; L62-G66 PolarHBondContact O-N 2.86Å; L62-L67 HydrophobicContact CB-CB 4.49Å; L62-L67 HydrophobicContact CD2-CB 3.78Å; L62-L67 HydrophobicContact CD2-CD1 4.13Å; L62-L67 PolarHBondContact O-N 3.16Å; L62-M68 HydrophobicContact CB-CB 4.39Å; L62-M68 HydrophobicContact CB-CE 4.29Å; L62-M68 HydrophobicContact CD1-CE 4.25Å; L62-M68 PolarHBondContact O-N 2.9Å
63L96.7Very high95Very high3 Ų359.4 Ų59.42%0.01633%0.33CS..Hα-helixtrans-63.3-49.5176.3-75.6163.6000111.8T59 V60 N65 G66 M68 F100 C106 A109 L110 M362T59-L63 HydrophobicContact CG2-CD1 4.1Å; T59-L63 PolarHBondContact O-N 3.09Å; V60-L63 PolarHBondContact O-N 2.78Å; L63-N65 PolarHBondContact O-N 2.76Å; L63-G66 PolarHBondContact O-N 3.31Å; L63-M68 HydrophobicContact CD2-CB 3.73Å; L63-M68 HydrophobicContact CD2-CG 3.88Å; L63-M68 HydrophobicContact CG-CB 4.04Å; L63-M68 HydrophobicContact CG-CG 4.32Å; L63-F100 HydrophobicContact CD1-CE1 3.7Å; L63-F100 HydrophobicContact CD1-CZ 3.92Å; L63-C106 HydrophobicContact CB-CB 3.69Å; L63-A109 HydrophobicContact CB-CB 4.05Å; L63-A109 HydrophobicContact CD2-CB 4.1Å; L63-A109 WeakPolarHBondContact O-CB 3.27Å; L63-L110 HydrophobicContact CD1-CD2 3.87Å; L63-M362 HydrophobicContact CD2-CE 4.48Å
64K96.5Very high95Very high108 Ų10857 Ų5747%0.4732%0.319SS..Hα-helixtrans-55.2-37.6178.9179.5175.3-168.2173.40112.7V60 E105 C106V60-K64 WeakPolarHBondContact O-CB 3.46Å; V60-K64 PolarHBondContact O-N 3.35Å; K64-E105 HydrophobicContact CD-CB 4.41Å; K64-E105 VanDerWaalsContact CG-O 3.3Å; K64-E105 WeakPolarHBondContact CG-O 3.48Å; K64-E105 IonicContact NZ-OE2 2.9Å; K64-E105 PolarHBondContact NZ-OE2 2.87Å; K64-C106 HydrophobicContact CB-CB 4.24Å
65N96.6Very high94.9Very high99 Ų9955.4 Ų55.453%0.52932%0.316SS..THydrogen-bonded Turntrans-92.67179.7-66.9-80.9000113.4K61 L62 L63 L67K61-N65 WeakPolarHBondContact O-CB 3.45Å; K61-N65 PolarHBondContact O-N 2.77Å; K61-N65 VanDerWaalsContact O-N 3.07Å; K61-N65 PolarHBondContact O-ND2 3.05Å; L62-N65 PolarHBondContact O-N 3.18Å; L63-N65 PolarHBondContact O-N 2.76Å; N65-L67 HydrophobicContact CB-CD1 4.13Å; N65-L67 HydrophobicContact CB-CG 4.1Å; N65-L67 PolarHBondContact O-N 2.95Å
66G92.8Very high94.9Very high64 Ų6460 Ų6066%0.6634%0.336SS*.THydrogen-bonded Turntrans66.519.9179.500000114.6L62 L63L62-G66 PolarHBondContact O-N 2.86Å; L63-G66 PolarHBondContact O-N 3.31Å
67L93.4Very high94.9Very high119 Ų11960.5 Ų60.562%0.62334%0.339SS*.  trans-91.1-11.6-178.2-63.1176.3000113.2L62 N65 P69L62-L67 HydrophobicContact CB-CB 4.49Å; L62-L67 HydrophobicContact CD2-CB 3.78Å; L62-L67 HydrophobicContact CD2-CD1 4.13Å; L62-L67 PolarHBondContact O-N 3.16Å; N65-L67 HydrophobicContact CB-CD1 4.13Å; N65-L67 HydrophobicContact CB-CG 4.1Å; N65-L67 PolarHBondContact O-N 2.95Å; L67-P69 WeakPolarHBondContact O-CD 3.24Å
68M91.8Very high95Very high30 Ų3059.9 Ų59.915%0.14832%0.324CS..SBendtrans-78.7123.8173.9-17567.375.600109.9T59 L62 L63 I70T59-M68 HydrophobicContact CG2-CE 3.9Å; L62-M68 HydrophobicContact CB-CB 4.39Å; L62-M68 HydrophobicContact CB-CE 4.29Å; L62-M68 HydrophobicContact CD1-CE 4.25Å; L62-M68 PolarHBondContact O-N 2.9Å; L63-M68 HydrophobicContact CD2-CB 3.73Å; L63-M68 HydrophobicContact CD2-CG 3.88Å; L63-M68 HydrophobicContact CG-CB 4.04Å; L63-M68 HydrophobicContact CG-CG 4.32Å; M68-I70 PolarHBondContact O-N 3.34Å
69P89.5Confident95.1Very high35 Ų3561.2 Ų61.223%0.22733%0.334CS..  trans-60.2133.4174.2-24.235.5000111.8T30 L67T30-P69 HydrophobicContact CG2-CG 4.26Å; L67-P69 WeakPolarHBondContact O-CD 3.24Å
70I91.4Very high95.2Very high50 Ų5062.3 Ų62.326%0.25634%0.338SS..  trans-115.1103.3171.3-57.1174000107.4M68 M74 K75 K112M68-I70 PolarHBondContact O-N 3.34Å; I70-M74 HydrophobicContact CG2-CE 4.18Å; I70-M74 HydrophobicContact CG2-SD 4.47Å; I70-K75 HydrophobicContact CG2-CD 4.36Å; I70-K75 VanDerWaalsContact CG2-CE 3.43Å; I70-K75 HydrophobicContact CG2-CG 4.11Å; I70-K112 HydrophobicContact CD1-CB 3.87Å
71S91.9Very high95.2Very high7 Ų761.8 Ų61.85%0.04933%0.334CS..  trans-72.8160.5-177.465.50000112.6S32 S73 M74S32-S71 WeakPolarHBondContact O-CB 3.35Å; S71-S73 VanDerWaalsContact C-N 3.26Å; S71-S73 PolarHBondContact O-N 2.88Å; S71-S73 PolarHBondContact OG-OG 3.23Å; S71-M74 PolarHBondContact O-N 3.45Å; S71-M74 WeakPolarHBondContact OG-CG 3.29Å
72S92.7Very high95.3Very high103 Ų10359 Ų5972%0.7232%0.324SS*.Hα-helixtrans-61.9-34.7174.153.70000112.1M74 K75 Q76S72-M74 VanDerWaalsContact C-N 3.28Å; S72-M74 PolarHBondContact O-N 3.43Å; S72-K75 PolarHBondContact O-N 3.26Å; S72-K75 VanDerWaalsContact O-N 3.14Å; S72-Q76 PolarHBondContact O-N 3.09Å
73S93.2Very high95.4Very high29 Ų2956.6 Ų56.620%0.20331%0.311CS..Hα-helixtrans-61.2-34.4-179.965.70000113S71 G366S71-S73 VanDerWaalsContact C-N 3.26Å; S71-S73 PolarHBondContact O-N 2.88Å; S71-S73 PolarHBondContact OG-OG 3.23Å; S73-G366 VanDerWaalsContact O-CA 3.3Å; S73-G366 WeakPolarHBondContact O-CA 3.37Å
74M95.7Very high95.4Very high0 Ų060.5 Ų60.50%034%0.335CS..Hα-helixtrans-71.6-37.1176.7-61.8164.655.800112.2I70 S71 S72 Q76 A113 M362 P363 K369I70-M74 HydrophobicContact CG2-CE 4.18Å; I70-M74 HydrophobicContact CG2-SD 4.47Å; S71-M74 PolarHBondContact O-N 3.45Å; S71-M74 WeakPolarHBondContact OG-CG 3.29Å; S72-M74 VanDerWaalsContact C-N 3.28Å; S72-M74 PolarHBondContact O-N 3.43Å; M74-Q76 VanDerWaalsContact C-N 3.34Å; M74-A113 WeakPolarHBondContact CB-O 3.3Å; M74-A113 HydrophobicContact CE-CB 3.74Å; M74-A113 WeakPolarHBondContact CE-O 3.42Å; M74-M362 HydrophobicContact CE-CB 3.73Å; M74-M362 HydrophobicContact CE-CE 4.21Å; M74-M362 HydrophobicContact SD-CB 4.26Å; M74-P363 HydrophobicContact SD-CG 4.38Å; M74-K369 PolarHBondContact O-NZ 3.16Å
75K95.4Very high95.5Very high113 Ų11355.8 Ų55.849%0.49132%0.315SS..Hα-helixtrans-77.7-17.5179.4-64.7-179.1-178175.80113.4I70 S72 E77I70-K75 HydrophobicContact CG2-CD 4.36Å; I70-K75 VanDerWaalsContact CG2-CE 3.43Å; I70-K75 HydrophobicContact CG2-CG 4.11Å; S72-K75 PolarHBondContact O-N 3.26Å; S72-K75 VanDerWaalsContact O-N 3.14Å; K75-E77 PolarHBondContact O-N 3.23Å
76Q96.7Very high95.4Very high100 Ų10052.8 Ų52.847%0.46730%0.298SS..  trans-58.2123.9176.3-176.361.442.400109.8S72 M74 Y78 K369S72-Q76 PolarHBondContact O-N 3.09Å; M74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-Y78 HydrophobicContact CB-CE2 4.32Å; Q76-Y78 HydrophobicContact CG-CE1 4.31Å; Q76-Y78 HydrophobicContact CG-CE2 3.7Å; Q76-Y78 VanDerWaalsContact CG-OH 3.3Å; Q76-Y78 WeakPolarHBondContact CG-OH 3.28Å; Q76-K369 WeakPolarHBondContact O-CD 3.2Å; Q76-K369 PolarHBondContact O-NZ 3.44Å
77E97.6Very high95.4Very high47 Ų4753.5 Ų53.522%0.2231%0.305CS..  trans-107.5156.4175-57.8-57171.100110.7K75 K91 N92 K369K75-E77 PolarHBondContact O-N 3.23Å; E77-K91 HydrophobicContact CG-CD 4.38Å; E77-K91 WeakPolarHBondContact OE1-CD 3.29Å; E77-K91 VanDerWaalsContact OE1-CE 3.28Å; E77-K91 WeakPolarHBondContact OE1-CE 3.49Å; E77-K91 IonicContact OE1-NZ 2.91Å; E77-N92 PolarHBondContact OE1-ND2 3.34Å; E77-N92 WeakPolarHBondContact OE2-CB 3.31Å; E77-N92 PolarHBondContact OE2-ND2 2.9Å; E77-K369 IonicContact OE1-NZ 3.01Å; E77-K369 PolarHBondContact OE1-NZ 3.21Å; E77-K369 IonicContact OE2-NZ 2.72Å; E77-K369 PolarHBondContact OE2-NZ 3.37Å
78Y98.4Very high95.5Very high46 Ų4650.3 Ų50.318%0.1829%0.285CS..  trans-132.9122.3-175.4-64.4-87.8000108.5Q76 E80 L81 K369 R370 V373Q76-Y78 HydrophobicContact CB-CE2 4.32Å; Q76-Y78 HydrophobicContact CG-CE1 4.31Å; Q76-Y78 HydrophobicContact CG-CE2 3.7Å; Q76-Y78 VanDerWaalsContact CG-OH 3.3Å; Q76-Y78 WeakPolarHBondContact CG-OH 3.28Å; Y78-E80 WeakPolarHBondContact CB-OE2 3.08Å; Y78-E80 PolarHBondContact O-N 3.07Å; Y78-E80 VanDerWaalsContact O-N 3.16Å; Y78-L81 HydrophobicContact CD2-CD1 4.21Å; Y78-L81 PolarHBondContact O-N 3.35Å; Y78-K369 HydrophobicContact CD2-CB 3.97Å; Y78-K369 HydrophobicContact CE2-CB 3.88Å; Y78-R370 HydrophobicContact CE2-CG 4.27Å; Y78-R370 WeakPolarHBondContact OH-CG 3.48Å; Y78-V373 HydrophobicContact CD1-CB 4.46Å; Y78-V373 HydrophobicContact CD1-CG1 4.3Å; Y78-V373 HydrophobicContact CD1-CG2 3.85Å; Y78-V373 HydrophobicContact CD2-CG2 4.2Å; Y78-V373 HydrophobicContact CG-CG2 3.63Å
79P98.3Very high95.7Very high93 Ų9354.1 Ų54.160%0.60430%0.302SS*.G310 helixtrans-53.8-33.4178.7-27.335.6000113.5L81 Q82P79-L81 PolarHBondContact O-N 3.45Å; P79-Q82 WeakPolarHBondContact O-CB 3.45Å; P79-Q82 PolarHBondContact O-N 3.2Å; P79-Q82 VanDerWaalsContact O-N 3.14Å
80E98.6Very high96.1Very high45 Ų4552.5 Ų52.521%0.2129%0.291CS..G310 helixtrans-61.2-24.7179.2-58.281.6176.100112.7Y78 V373 L376 L377 R382 S383 I384Y78-E80 WeakPolarHBondContact CB-OE2 3.08Å; Y78-E80 PolarHBondContact O-N 3.07Å; Y78-E80 VanDerWaalsContact O-N 3.16Å; E80-V373 HydrophobicContact CB-CG2 4.46Å; E80-L376 HydrophobicContact CB-CD1 4.22Å; E80-L377 HydrophobicContact CG-CD2 4.49Å; E80-R382 WeakPolarHBondContact CG-O 3.26Å; E80-S383 WeakPolarHBondContact O-CA 3.44Å; E80-I384 PolarHBondContact O-N 3.07Å
81L98.7Very high96.3Very high0 Ų052 Ų520%029%0.287CS..G310 helixtrans-96-5.3-178.4-55.5-171.9000113.5Y78 P79 N92 C93 F94 K369 L372 V373 L376 I384Y78-L81 HydrophobicContact CD2-CD1 4.21Å; Y78-L81 PolarHBondContact O-N 3.35Å; P79-L81 PolarHBondContact O-N 3.45Å; L81-N92 HydrophobicContact CB-CB 4.04Å; L81-N92 CarbonylContact O-C 3.2Å; L81-N92 VanDerWaalsContact O-CA 3.28Å; L81-N92 WeakPolarHBondContact O-CA 3.3Å; L81-C93 PolarHBondContact O-N 2.72Å; L81-F94 HydrophobicContact CD1-CE2 4.5Å; L81-K369 HydrophobicContact CD1-CB 3.82Å; L81-K369 HydrophobicContact CD1-CG 3.95Å; L81-L372 HydrophobicContact CD2-CB 4.39Å; L81-L372 HydrophobicContact CD2-CD2 3.57Å; L81-L372 HydrophobicContact CD2-CG 3.74Å; L81-V373 HydrophobicContact CD1-CG2 3.92Å; L81-V373 HydrophobicContact CD2-CG2 3.8Å; L81-V373 HydrophobicContact CG-CG2 3.7Å; L81-L376 HydrophobicContact CD2-CD1 3.89Å; L81-I384 HydrophobicContact CD2-CG2 3.74Å; L81-I384 VanDerWaalsContact O-CD1 3.29Å; L81-I384 WeakPolarHBondContact O-CD1 3.35Å
82Q98.3Very high96.7Very high87 Ų8751.7 Ų51.741%0.40729%0.285SS..  trans-70.7142.6177.4-67.4-178.27.100110.9P79 F90 K91P79-Q82 WeakPolarHBondContact O-CB 3.45Å; P79-Q82 PolarHBondContact O-N 3.2Å; P79-Q82 VanDerWaalsContact O-N 3.14Å; Q82-F90 WeakPolarHBondContact CA-O 3.5Å; Q82-K91 VanDerWaalsContact CG-O 3.29Å; Q82-K91 WeakPolarHBondContact CG-O 3.36Å
83I98.3Very high96.9Very high11 Ų1146.8 Ų46.86%0.05625%0.251CS..EExtended strand (participates in β ladder)trans-155.5149.3178.6-168.8166.2000111.8V85 Q89 F90 C93 L350 I384 I388I83-V85 HydrophobicContact CD1-CG2 3.91Å; I83-V85 HydrophobicContact CG1-CG2 3.78Å; I83-V85 HydrophobicContact CG2-CG2 4.07Å; I83-Q89 PolarHBondContact O-NE2 3.38Å; I83-F90 HydrophobicContact CG2-CB 4.17Å; I83-F90 PolarHBondContact N-O 2.88Å; I83-F90 WeakPolarHBondContact O-CB 3.48Å; I83-F90 PolarHBondContact O-N 2.9Å; I83-C93 HydrophobicContact CG2-CB 4.47Å; I83-L350 HydrophobicContact CG2-CD2 3.81Å; I83-I384 HydrophobicContact CB-CD1 3.86Å; I83-I384 HydrophobicContact CB-CG1 4.37Å; I83-I384 HydrophobicContact CD1-CD1 4.16Å; I83-I384 HydrophobicContact CD1-CG1 4.42Å; I83-I384 HydrophobicContact CG2-CD1 3.91Å; I83-I388 HydrophobicContact CD1-CD1 3.45Å; I83-I388 VanDerWaalsContact CD1-CD1 3.45Å
84T98.2Very high97.2Very high84 Ų8445.4 Ų45.452%0.51524%0.241SC..EExtended strand (participates in β ladder)trans-103.8118.7170.3-66.40000110.1R88 Q89T84-R88 CarbonylContact C-O 3.58Å; T84-R88 VanDerWaalsContact CA-O 3.24Å; T84-R88 WeakPolarHBondContact CA-O 3.44Å; T84-Q89 PolarHBondContact OG1-OE1 3.35Å
85V97.5Very high97.3Very high9 Ų945.4 Ų45.46%0.05524%0.241CC..EExtended strand (participates in β ladder)trans-135.5144.1178.2-169.10000108.3I83 G87 R88 F90 P327 L350I83-V85 HydrophobicContact CD1-CG2 3.91Å; I83-V85 HydrophobicContact CG1-CG2 3.78Å; I83-V85 HydrophobicContact CG2-CG2 4.07Å; V85-G87 PolarHBondContact O-N 3.18Å; V85-G87 VanDerWaalsContact O-N 3.16Å; V85-R88 PolarHBondContact N-O 3.1Å; V85-R88 WeakPolarHBondContact O-CB 3.46Å; V85-R88 PolarHBondContact O-N 2.93Å; V85-R88 VanDerWaalsContact O-O 3.09Å; V85-F90 HydrophobicContact CB-CD2 4.38Å; V85-F90 HydrophobicContact CB-CE2 3.97Å; V85-P327 HydrophobicContact CG1-CB 3.53Å; V85-P327 HydrophobicContact CG1-CG 4.01Å; V85-L350 HydrophobicContact CB-CD1 4.25Å; V85-L350 HydrophobicContact CG1-CD1 4.39Å; V85-L350 HydrophobicContact CG2-CD1 4.42Å; V85-L350 HydrophobicContact CG2-CD2 4.34Å; V85-L350 HydrophobicContact CG2-CG 4.15Å
86F94.6Very high97.5Very high37 Ų3740 Ų4016%0.16222%0.218CC..THydrogen-bonded Turntrans57.827.3-177.5-39.9-55.8000114.4R88 F90 P248 L250 D277 P327 I329 L350F86-R88 PolarHBondContact O-N 2.88Å; F86-F90 HydrophobicContact CD2-CE2 4.48Å; F86-F90 HydrophobicContact CD2-CZ 4.3Å; F86-P248 HydrophobicContact CB-CB 4Å; F86-P248 HydrophobicContact CB-CG 3.68Å; F86-P248 HydrophobicContact CG-CB 4.22Å; F86-P248 HydrophobicContact CG-CG 4.4Å; F86-L250 HydrophobicContact CE1-CD1 4.22Å; F86-L250 HydrophobicContact CE2-CD1 4.38Å; F86-L250 HydrophobicContact CE2-CD2 4.07Å; F86-L250 HydrophobicContact CZ-CD1 4.13Å; F86-L250 HydrophobicContact CZ-CD2 3.84Å; F86-L250 HydrophobicContact CZ-CG 4.2Å; F86-D277 HydrophobicContact CD1-CB 4.44Å; F86-D277 VanDerWaalsContact CD1-O 3.32Å; F86-D277 WeakPolarHBondContact CD1-O 3.49Å; F86-D277 WeakPolarHBondContact CE1-O 3.17Å; F86-P327 HydrophobicContact CD1-CB 4.47Å; F86-P327 HydrophobicContact CD1-CG 4.34Å; F86-P327 HydrophobicContact CE1-CB 3.7Å; F86-P327 HydrophobicContact CE1-CG 3.99Å; F86-P327 HydrophobicContact CZ-CB 4.19Å; F86-I329 HydrophobicContact CE2-CD1 4.34Å; F86-I329 HydrophobicContact CZ-CG1 4.39Å; F86-L350 HydrophobicContact CE2-CD1 3.89Å
87G93.6Very high97.6Very high78 Ų7835.5 Ų35.580%0.80420%0.197SC*.THydrogen-bonded Turntrans69.819.5-173.900000114V85V85-G87 PolarHBondContact O-N 3.18Å; V85-G87 VanDerWaalsContact O-N 3.16Å
88R94.3Very high97.6Very high53 Ų5333.9 Ų33.920%0.219%0.192CC..EExtended strand (participates in β ladder)trans-126.7139.8-176.7-61.6174.5173-89.48.7110.8T84 V85 F86 F90 L174 D204T84-R88 CarbonylContact C-O 3.58Å; T84-R88 VanDerWaalsContact CA-O 3.24Å; T84-R88 WeakPolarHBondContact CA-O 3.44Å; V85-R88 PolarHBondContact N-O 3.1Å; V85-R88 WeakPolarHBondContact O-CB 3.46Å; V85-R88 PolarHBondContact O-N 2.93Å; V85-R88 VanDerWaalsContact O-O 3.09Å; F86-R88 PolarHBondContact O-N 2.88Å; R88-F90 HydrophobicContact CB-CE2 4.14Å; R88-F90 WeakPolarHBondContact O-CD2 3.27Å; R88-L174 HydrophobicContact CB-CD1 3.77Å; R88-D204 IonicContact CZ-OD1 3.95Å; R88-D204 PolarHBondContact NE-O 2.88Å; R88-D204 VanDerWaalsContact NE-O 3.09Å; R88-D204 IonicContact NH1-OD1 2.79Å; R88-D204 PolarHBondContact NH1-OD1 3.46Å; R88-D204 PolarHBondContact NH2-O 3.1Å; R88-D204 IonicContact NH2-OD1 3.27Å
89Q96.4Very high97.6Very high110 Ų11032.6 Ų32.651%0.51419%0.192SC..EExtended strand (participates in β ladder)trans-83126.8175.9-174.766.460.700110.1I83 T84I83-Q89 PolarHBondContact O-NE2 3.38Å; T84-Q89 PolarHBondContact OG1-OE1 3.35Å
90F98.2Very high97.5Very high1 Ų128.5 Ų28.50%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-106131.3170.5-65.8-106.4000108.7Q82 I83 V85 F86 R88 N92 F117 L174 L350Q82-F90 WeakPolarHBondContact CA-O 3.5Å; I83-F90 HydrophobicContact CG2-CB 4.17Å; I83-F90 PolarHBondContact N-O 2.88Å; I83-F90 WeakPolarHBondContact O-CB 3.48Å; I83-F90 PolarHBondContact O-N 2.9Å; V85-F90 HydrophobicContact CB-CD2 4.38Å; V85-F90 HydrophobicContact CB-CE2 3.97Å; F86-F90 HydrophobicContact CD2-CE2 4.48Å; F86-F90 HydrophobicContact CD2-CZ 4.3Å; R88-F90 HydrophobicContact CB-CE2 4.14Å; R88-F90 WeakPolarHBondContact O-CD2 3.27Å; F90-N92 VanDerWaalsContact C-N 3.27Å; F90-N92 PolarHBondContact O-N 3.5Å; F90-F117 HydrophobicContact CD1-CB 4.15Å; F90-F117 AromaticContact CD1-CD1 3.68Å; F90-F117 HydrophobicContact CD1-CD1 3.68Å; F90-F117 HydrophobicContact CD1-CE1 4.48Å; F90-F117 HydrophobicContact CD1-CG 4.21Å; F90-F117 HydrophobicContact CE1-CB 3.79Å; F90-F117 AromaticContact CE1-CD1 3.67Å; F90-F117 HydrophobicContact CE1-CD1 3.67Å; F90-F117 HydrophobicContact CE1-CE1 4.43Å; F90-F117 AromaticContact CE1-CG 3.82Å; F90-F117 HydrophobicContact CE1-CG 3.82Å; F90-L174 HydrophobicContact CD1-CD1 3.86Å; F90-L174 HydrophobicContact CD2-CD1 4.02Å; F90-L174 HydrophobicContact CE1-CB 4.29Å; F90-L174 HydrophobicContact CE1-CD1 3.55Å; F90-L174 HydrophobicContact CE1-CG 4.45Å; F90-L174 HydrophobicContact CE2-CD1 3.69Å; F90-L174 HydrophobicContact CG-CD1 4.09Å; F90-L174 HydrophobicContact CZ-CD1 3.44Å; F90-L174 VanDerWaalsContact CZ-CD1 3.44Å; F90-L350 HydrophobicContact CB-CD2 4.32Å; F90-L350 HydrophobicContact CD1-CD1 4.24Å; F90-L350 HydrophobicContact CD1-CD2 3.8Å; F90-L350 HydrophobicContact CD2-CD1 4.49Å; F90-L350 HydrophobicContact CD2-CD2 4.15Å; F90-L350 HydrophobicContact CE1-CD1 3.63Å; F90-L350 HydrophobicContact CE1-CD2 4.07Å; F90-L350 HydrophobicContact CE2-CD1 3.96Å; F90-L350 HydrophobicContact CE2-CD2 4.44Å; F90-L350 HydrophobicContact CG-CD2 3.84Å; F90-L350 HydrophobicContact CZ-CD1 3.49Å; F90-L350 VanDerWaalsContact CZ-CD1 3.49Å; F90-L350 HydrophobicContact CZ-CD2 4.4Å
91K96.8Very high97.5Very high40 Ų4026.4 Ų26.417%0.17416%0.156CC..SBendtrans-69.5-25.1177.166.8-176.1-180-171.20113.4E77 Q82 F115 N171 D172E77-K91 HydrophobicContact CG-CD 4.38Å; E77-K91 WeakPolarHBondContact OE1-CD 3.29Å; E77-K91 VanDerWaalsContact OE1-CE 3.28Å; E77-K91 WeakPolarHBondContact OE1-CE 3.49Å; E77-K91 IonicContact OE1-NZ 2.91Å; Q82-K91 VanDerWaalsContact CG-O 3.29Å; Q82-K91 WeakPolarHBondContact CG-O 3.36Å; K91-F115 WeakPolarHBondContact CE-O 3.39Å; K91-N171 PolarHBondContact NZ-O 2.98Å; K91-D172 HydrophobicContact CD-CB 4.48Å
92N98.5Very high97.5Very high0 Ų027.7 Ų27.70%016%0.161CC..SBendtrans-155.1162.1167.765.879.1000109.5E77 L81 F90 F94 G114 G116 K369E77-N92 PolarHBondContact OE1-ND2 3.34Å; E77-N92 WeakPolarHBondContact OE2-CB 3.31Å; E77-N92 PolarHBondContact OE2-ND2 2.9Å; L81-N92 HydrophobicContact CB-CB 4.04Å; L81-N92 CarbonylContact O-C 3.2Å; L81-N92 VanDerWaalsContact O-CA 3.28Å; L81-N92 WeakPolarHBondContact O-CA 3.3Å; F90-N92 VanDerWaalsContact C-N 3.27Å; F90-N92 PolarHBondContact O-N 3.5Å; N92-F94 VanDerWaalsContact C-N 3.33Å; N92-F94 PolarHBondContact O-N 2.78Å; N92-F94 WeakPolarHBondContact OD1-CB 3.37Å; N92-F94 PolarHBondContact OD1-N 2.95Å; N92-F94 PolarHBondContact OD1-O 3.39Å; N92-G114 PolarHBondContact ND2-O 2.99Å; N92-G116 PolarHBondContact ND2-N 3.32Å; N92-G116 PolarHBondContact OD1-N 2.94Å; N92-K369 WeakPolarHBondContact ND2-CE 3.37Å; N92-K369 PolarHBondContact ND2-NZ 3.01Å; N92-K369 VanDerWaalsContact ND2-NZ 3.16Å
93C98.6Very high97.4Very high0 Ų024.2 Ų24.20%015%0.145CC..SBendtrans-80.5-1-178.564.20000115.7L81 I83 F117 L350 L351 I384L81-C93 PolarHBondContact O-N 2.72Å; I83-C93 HydrophobicContact CG2-CB 4.47Å; C93-F117 WeakPolarHBondContact O-CE1 3.49Å; C93-L350 HydrophobicContact CB-CD2 4.29Å; C93-L351 PolarHBondContact O-N 3.33Å; C93-I384 HydrophobicContact CB-CD1 3.48Å; C93-I384 VanDerWaalsContact CB-CD1 3.48Å
94F98.8Very high97.4Very high0 Ų024 Ų240%015%0.145CC..EExtended strand (participates in β ladder)trans-92.5129.9-178.5-72.6-79.6000111.9L81 N92 G116 I334 A340 L351 I353 L365 L368 K369 L372L81-F94 HydrophobicContact CD1-CE2 4.5Å; N92-F94 VanDerWaalsContact C-N 3.33Å; N92-F94 PolarHBondContact O-N 2.78Å; N92-F94 WeakPolarHBondContact OD1-CB 3.37Å; N92-F94 PolarHBondContact OD1-N 2.95Å; N92-F94 PolarHBondContact OD1-O 3.39Å; F94-G116 PolarHBondContact O-N 2.94Å; F94-I334 HydrophobicContact CE1-CG2 4.47Å; F94-A340 HydrophobicContact CE1-CB 3.88Å; F94-A340 HydrophobicContact CZ-CB 3.65Å; F94-L351 CarbonylContact C-O 3.53Å; F94-L351 HydrophobicContact CD1-CB 4.2Å; F94-L351 HydrophobicContact CD1-CD1 4.46Å; F94-L351 HydrophobicContact CE1-CB 4.41Å; F94-L351 HydrophobicContact CE1-CD1 3.96Å; F94-L351 HydrophobicContact CZ-CD1 4.24Å; F94-I353 HydrophobicContact CD1-CG2 4.29Å; F94-L365 HydrophobicContact CB-CD1 3.72Å; F94-L365 HydrophobicContact CG-CD1 4.22Å; F94-L368 HydrophobicContact CE1-CB 3.96Å; F94-L368 HydrophobicContact CE1-CD1 4.34Å; F94-L368 HydrophobicContact CE2-CB 4.27Å; F94-L368 HydrophobicContact CZ-CB 3.77Å; F94-K369 HydrophobicContact CD2-CG 3.86Å; F94-K369 HydrophobicContact CE2-CG 4.18Å; F94-L372 HydrophobicContact CE2-CB 4.34Å; F94-L372 HydrophobicContact CE2-CD2 3.67Å; F94-L372 HydrophobicContact CZ-CB 4.36Å; F94-L372 HydrophobicContact CZ-CD2 3.85Å
95G98.7Very high97.4Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-130.5167.4171.200000113.7F117 L351 Q352 I353G95-F117 CarbonylContact C-O 3.59Å; G95-F117 WeakPolarHBondContact CA-O 3.42Å; G95-F117 VanDerWaalsContact N-CE1 3.31Å; G95-L351 PolarHBondContact N-O 3.3Å; G95-Q352 VanDerWaalsContact O-CA 3.32Å; G95-Q352 WeakPolarHBondContact O-CA 3.37Å; G95-I353 PolarHBondContact O-N 3.26Å
96L98.7Very high97.4Very high0 Ų022.5 Ų22.50%013%0.132CC..EExtended strand (participates in β ladder)trans-90.5130174.4-172.870.6000110F100 L110 F115 F117 V118 E119 I357L96-F100 HydrophobicContact CD1-CB 4.22Å; L96-F100 HydrophobicContact CD1-CD2 4.33Å; L96-F100 HydrophobicContact CD1-CG 4.22Å; L96-F100 HydrophobicContact CD2-CB 3.78Å; L96-F100 HydrophobicContact CD2-CD1 3.72Å; L96-F100 HydrophobicContact CD2-CE1 4.47Å; L96-F100 HydrophobicContact CD2-CG 3.79Å; L96-F100 HydrophobicContact CG-CB 4.07Å; L96-F100 HydrophobicContact CG-CG 4.37Å; L96-L110 HydrophobicContact CD2-CD1 3.54Å; L96-L110 HydrophobicContact CD2-CD2 3.82Å; L96-L110 HydrophobicContact CD2-CG 4.2Å; L96-F115 HydrophobicContact CB-CD1 4.34Å; L96-F115 HydrophobicContact CB-CD2 4.4Å; L96-F115 HydrophobicContact CB-CE1 4.16Å; L96-F115 HydrophobicContact CB-CE2 4.23Å; L96-F115 HydrophobicContact CB-CG 4.46Å; L96-F115 HydrophobicContact CB-CZ 4.12Å; L96-F115 HydrophobicContact CD1-CE2 4.42Å; L96-F115 HydrophobicContact CD1-CZ 4Å; L96-F117 PolarHBondContact N-O 3.45Å; L96-V118 HydrophobicContact CB-CG1 4.47Å; L96-V118 HydrophobicContact CB-CG2 4.36Å; L96-V118 HydrophobicContact CD2-CG1 4.36Å; L96-E119 WeakPolarHBondContact O-CB 3.42Å; L96-E119 PolarHBondContact O-N 3.27Å; L96-I357 HydrophobicContact CD1-CD1 3.46Å; L96-I357 VanDerWaalsContact CD1-CD1 3.46Å
97A98.7Very high97.6Very high4 Ų420.9 Ų20.93%0.03313%0.125CC..PPolyproline II helixtrans-71.1150.717700000112.1Q352 I353A97-Q352 HydrophobicContact CB-CB 3.99Å; A97-Q352 HydrophobicContact CB-CG 4.43Å; A97-I353 PolarHBondContact N-O 2.89Å
98A98.1Very high97.8Very high14 Ų1419.2 Ų19.212%0.11610%0.098CC..THydrogen-bonded Turntrans-54.6154.4166.700000112E119 N178A98-E119 VanDerWaalsContact CA-O 3.32Å; A98-E119 WeakPolarHBondContact CA-O 3.47Å; A98-E119 HydrophobicContact CB-CB 4.42Å; A98-E119 HydrophobicContact CB-CG 3.86Å; A98-E119 WeakPolarHBondContact CB-OE1 3.38Å; A98-E119 PolarHBondContact N-O 2.96Å; A98-N178 HydrophobicContact CB-CB 3.78Å
99G96.8Very high97.8Very high18 Ų1817.3 Ų17.319%0.1869%0.093CC..THydrogen-bonded Turntrans104.4-24.4-175.400000112.3K102 G121G99-K102 WeakPolarHBondContact O-CE 3.15Å; G99-K102 VanDerWaalsContact O-CG 3.28Å; G99-K102 WeakPolarHBondContact O-CG 3.41Å; G99-K102 PolarHBondContact O-NZ 3.36Å; G99-G121 WeakPolarHBondContact CA-O 3.38Å; G99-G121 PolarHBondContact N-O 3.31Å
100F97.8Very high97.9Very high7 Ų712.1 Ų12.13%0.0317%0.069CC..SBendtrans-79.7-61.7179.7-171-76.8000109.4H56 T59 L63 L96 K102 L110 Y354 I357H56-F100 PolarHBondContact CE1-O 3.42Å; H56-F100 PolarHBondContact NE2-O 3.45Å; H56-F100 VanDerWaalsContact NE2-O 3.11Å; T59-F100 HydrophobicContact CG2-CZ 3.82Å; L63-F100 HydrophobicContact CD1-CE1 3.7Å; L63-F100 HydrophobicContact CD1-CZ 3.92Å; L96-F100 HydrophobicContact CD1-CB 4.22Å; L96-F100 HydrophobicContact CD1-CD2 4.33Å; L96-F100 HydrophobicContact CD1-CG 4.22Å; L96-F100 HydrophobicContact CD2-CB 3.78Å; L96-F100 HydrophobicContact CD2-CD1 3.72Å; L96-F100 HydrophobicContact CD2-CE1 4.47Å; L96-F100 HydrophobicContact CD2-CG 3.79Å; L96-F100 HydrophobicContact CG-CB 4.07Å; L96-F100 HydrophobicContact CG-CG 4.37Å; F100-K102 PolarHBondContact O-N 2.96Å; F100-L110 HydrophobicContact CD1-CD1 4.13Å; F100-L110 HydrophobicContact CD1-CD2 4.37Å; F100-L110 HydrophobicContact CE1-CD1 4.36Å; F100-L110 HydrophobicContact CE1-CD2 3.97Å; F100-Y354 HydrophobicContact CB-CD2 4.05Å; F100-Y354 HydrophobicContact CB-CE2 3.77Å; F100-Y354 HydrophobicContact CD2-CE2 4.43Å; F100-I357 HydrophobicContact CE2-CG2 4.3Å
101D98.2Very high97.8Very high2 Ų212.1 Ų12.11%0.0117%0.069CC..SBendtrans-100.371.1174.9-164.317.9000110.1D103 A104 E105 C106 T107 L110 V120 G121D101-D103 PolarHBondContact O-N 2.92Å; D101-D103 VanDerWaalsContact O-N 3.14Å; D101-A104 PolarHBondContact O-N 2.98Å; D101-A104 PolarHBondContact OD1-N 2.77Å; D101-A104 WeakPolarHBondContact OD2-CA 3.19Å; D101-E105 PolarHBondContact OD1-N 2.78Å; D101-E105 PolarHBondContact OD2-N 2.93Å; D101-C106 VanDerWaalsContact CG-SG 3.58Å; D101-C106 PolarHBondContact OD1-N 3.01Å; D101-C106 PolarHBondContact OD2-N 3.13Å; D101-T107 VanDerWaalsContact OD2-CA 3.3Å; D101-T107 WeakPolarHBondContact OD2-CA 3.31Å; D101-T107 WeakPolarHBondContact OD2-CB 3.44Å; D101-T107 PolarHBondContact OD2-N 3.47Å; D101-T107 PolarHBondContact OD2-OG1 2.76Å; D101-L110 HydrophobicContact CB-CD1 3.68Å; D101-V120 HydrophobicContact CB-CG1 4.36Å; D101-V120 WeakPolarHBondContact O-CA 3.4Å; D101-V120 WeakPolarHBondContact O-CB 3.25Å; D101-G121 PolarHBondContact O-N 2.76Å; D101-G121 VanDerWaalsContact O-N 3.14Å
102K97.5Very high97.8Very high26 Ų2614.4 Ų14.411%0.1138%0.079CC..THydrogen-bonded Turntrans-57.4-31.7-172.5-63.7-176-174.766.30113.1G99 F100 G121 N152G99-K102 WeakPolarHBondContact O-CE 3.15Å; G99-K102 VanDerWaalsContact O-CG 3.28Å; G99-K102 WeakPolarHBondContact O-CG 3.41Å; G99-K102 PolarHBondContact O-NZ 3.36Å; F100-K102 PolarHBondContact O-N 2.96Å; K102-G121 WeakPolarHBondContact CA-O 3.23Å; K102-G121 VanDerWaalsContact O-CA 3.23Å; K102-G121 WeakPolarHBondContact O-CA 3.46Å; K102-G121 PolarHBondContact O-N 2.89Å; K102-N152 WeakPolarHBondContact CD-ND2 3.2Å; K102-N152 WeakPolarHBondContact CD-OD1 3.44Å; K102-N152 VanDerWaalsContact CE-OD1 3.3Å; K102-N152 WeakPolarHBondContact CE-OD1 3.32Å
103D98.3Very high97.6Very high14 Ų1414.4 Ų14.48%0.0758%0.079CC..THydrogen-bonded Turntrans-120.612.7-168.8-75.4-53.3000112.9D101 E105 Q154 V159 R162D101-D103 PolarHBondContact O-N 2.92Å; D101-D103 VanDerWaalsContact O-N 3.14Å; D103-E105 VanDerWaalsContact C-N 3.34Å; D103-E105 HydrophobicContact CB-CG 4.04Å; D103-E105 PolarHBondContact O-N 3.16Å; D103-Q154 HydrophobicContact CB-CG 4.31Å; D103-Q154 WeakPolarHBondContact OD1-CB 3.16Å; D103-Q154 PolarHBondContact OD1-N 2.99Å; D103-V159 HydrophobicContact CB-CG2 4.35Å; D103-R162 PolarHBondContact O-NE 2.96Å; D103-R162 PolarHBondContact O-NH2 3.42Å
104A98.2Very high97.5Very high6 Ų614.5 Ų14.55%0.058%0.08CC..SBendtrans57.139.9-175.900000114.1D101 T107 V120 V159 R162 M163D101-A104 PolarHBondContact O-N 2.98Å; D101-A104 PolarHBondContact OD1-N 2.77Å; D101-A104 WeakPolarHBondContact OD2-CA 3.19Å; A104-T107 VanDerWaalsContact CA-OG1 3.25Å; A104-T107 WeakPolarHBondContact CA-OG1 2.85Å; A104-T107 WeakPolarHBondContact CB-OG1 3.29Å; A104-V120 HydrophobicContact CB-CB 4.26Å; A104-V120 HydrophobicContact CB-CG1 4.02Å; A104-V120 HydrophobicContact CB-CG2 4.38Å; A104-V159 HydrophobicContact CB-CG1 3.81Å; A104-R162 HydrophobicContact CB-CB 4.44Å; A104-R162 WeakPolarHBondContact O-CD 3.38Å; A104-M163 HydrophobicContact CB-CG 4.06Å; A104-M163 HydrophobicContact CB-SD 3.93Å
105E98.1Very high97.5Very high59 Ų5914.6 Ų14.628%0.2768%0.08SC..SBendtrans-83.9-25.2-177.3-68.6-160.8-108.100113.9V60 K64 D101 D103V60-E105 HydrophobicContact CG1-CB 3.95Å; K64-E105 HydrophobicContact CD-CB 4.41Å; K64-E105 VanDerWaalsContact CG-O 3.3Å; K64-E105 WeakPolarHBondContact CG-O 3.48Å; K64-E105 IonicContact NZ-OE2 2.9Å; K64-E105 PolarHBondContact NZ-OE2 2.87Å; D101-E105 PolarHBondContact OD1-N 2.78Å; D101-E105 PolarHBondContact OD2-N 2.93Å; D103-E105 VanDerWaalsContact C-N 3.34Å; D103-E105 HydrophobicContact CB-CG 4.04Å; D103-E105 PolarHBondContact O-N 3.16Å
106C97.6Very high97.5Very high4 Ų414.6 Ų14.63%0.0278%0.08CC..SBendtrans-132.619-175.463.90000113V60 L63 K64 D101 D108 A109 L110V60-C106 HydrophobicContact CG1-CB 4.36Å; L63-C106 HydrophobicContact CB-CB 3.69Å; K64-C106 HydrophobicContact CB-CB 4.24Å; D101-C106 VanDerWaalsContact CG-SG 3.58Å; D101-C106 PolarHBondContact OD1-N 3.01Å; D101-C106 PolarHBondContact OD2-N 3.13Å; C106-D108 VanDerWaalsContact C-N 3.33Å; C106-D108 PolarHBondContact O-N 2.79Å; C106-A109 WeakPolarHBondContact O-CB 3.3Å; C106-A109 PolarHBondContact O-N 2.98Å; C106-A109 VanDerWaalsContact O-N 3.11Å; C106-L110 WeakPolarHBondContact O-CG 3.47Å; C106-L110 PolarHBondContact O-N 3.43Å
107T98Very high97.5Very high2 Ų214.6 Ų14.61%0.0128%0.08CC..Hα-helixtrans-59.5-39.8-171.2-45.90000113D101 A104 A109 L110 C111 V118 V120 L166 I175D101-T107 VanDerWaalsContact OD2-CA 3.3Å; D101-T107 WeakPolarHBondContact OD2-CA 3.31Å; D101-T107 WeakPolarHBondContact OD2-CB 3.44Å; D101-T107 PolarHBondContact OD2-N 3.47Å; D101-T107 PolarHBondContact OD2-OG1 2.76Å; A104-T107 VanDerWaalsContact CA-OG1 3.25Å; A104-T107 WeakPolarHBondContact CA-OG1 2.85Å; A104-T107 WeakPolarHBondContact CB-OG1 3.29Å; T107-A109 PolarHBondContact O-N 3.42Å; T107-L110 PolarHBondContact O-N 3.17Å; T107-C111 PolarHBondContact O-N 2.86Å; T107-C111 PolarHBondContact O-SG 3.31Å; T107-V118 HydrophobicContact CG2-CG1 4.28Å; T107-V120 HydrophobicContact CG2-CG1 3.93Å; T107-V120 WeakPolarHBondContact OG1-CG1 3.4Å; T107-L166 HydrophobicContact CG2-CD1 4.09Å; T107-L166 HydrophobicContact CG2-CD2 4.5Å; T107-I175 HydrophobicContact CG2-CD1 3.62Å; T107-I175 HydrophobicContact CG2-CG1 4.16Å; T107-I175 HydrophobicContact CG2-CG2 4.17Å
108D96.6Very high97.5Very high44 Ų4414.4 Ų14.424%0.2358%0.079CC..Hα-helixtrans-61.2-44.3177.1176.947.4000112C106 L110 C111 K112 L166 P167C106-D108 VanDerWaalsContact C-N 3.33Å; C106-D108 PolarHBondContact O-N 2.79Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.16Å; D108-C111 WeakPolarHBondContact O-CB 3.36Å; D108-C111 PolarHBondContact O-N 3.15Å; D108-K112 WeakPolarHBondContact O-CG 3.41Å; D108-K112 PolarHBondContact O-N 3.05Å; D108-K112 VanDerWaalsContact OD1-CE 3.27Å; D108-K112 WeakPolarHBondContact OD1-CE 3.49Å; D108-K112 IonicContact OD1-NZ 3.13Å; D108-K112 VanDerWaalsContact OD2-CE 3.31Å; D108-K112 WeakPolarHBondContact OD2-CE 3.13Å; D108-K112 IonicContact OD2-NZ 3.05Å; D108-K112 PolarHBondContact OD2-NZ 2.67Å; D108-L166 HydrophobicContact CB-CD2 3.97Å; D108-P167 VanDerWaalsContact OD1-CG 3.29Å; D108-P167 WeakPolarHBondContact OD1-CG 3.38Å
109A96.3Very high97.5Very high13 Ų1313.7 Ų13.711%0.1077%0.073CC..Hα-helixtrans-64-38176.100000112L63 C106 T107 K112 A113L63-A109 HydrophobicContact CB-CB 4.05Å; L63-A109 HydrophobicContact CD2-CB 4.1Å; L63-A109 WeakPolarHBondContact O-CB 3.27Å; C106-A109 WeakPolarHBondContact O-CB 3.3Å; C106-A109 PolarHBondContact O-N 2.98Å; C106-A109 VanDerWaalsContact O-N 3.11Å; T107-A109 PolarHBondContact O-N 3.42Å; A109-K112 PolarHBondContact O-N 2.92Å; A109-A113 PolarHBondContact O-N 3.16Å
110L97.3Very high97.6Very high0 Ų012.9 Ų12.90%07%0.065CC..Hα-helixtrans-66.9-38.8175-66.2170.9000112.2L63 L96 F100 D101 C106 T107 D108 K112 A113 V118 M362L63-L110 HydrophobicContact CD1-CD2 3.87Å; L96-L110 HydrophobicContact CD2-CD1 3.54Å; L96-L110 HydrophobicContact CD2-CD2 3.82Å; L96-L110 HydrophobicContact CD2-CG 4.2Å; F100-L110 HydrophobicContact CD1-CD1 4.13Å; F100-L110 HydrophobicContact CD1-CD2 4.37Å; F100-L110 HydrophobicContact CE1-CD1 4.36Å; F100-L110 HydrophobicContact CE1-CD2 3.97Å; D101-L110 HydrophobicContact CB-CD1 3.68Å; C106-L110 WeakPolarHBondContact O-CG 3.47Å; C106-L110 PolarHBondContact O-N 3.43Å; T107-L110 PolarHBondContact O-N 3.17Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.16Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 3.33Å; L110-A113 VanDerWaalsContact O-CB 3.27Å; L110-A113 WeakPolarHBondContact O-CB 3.44Å; L110-A113 PolarHBondContact O-N 2.78Å; L110-A113 VanDerWaalsContact O-N 3.15Å; L110-V118 HydrophobicContact CB-CG1 4.39Å; L110-V118 HydrophobicContact CB-CG2 3.82Å; L110-V118 HydrophobicContact CD1-CG1 4.13Å; L110-M362 HydrophobicContact CD2-CE 3.78Å
111C96.5Very high97.6Very high1 Ų112.5 Ų12.51%0.0076%0.063CC..Hα-helixtrans-63-39.2173.8-670000111.6T107 D108 A113 R170 C173T107-C111 PolarHBondContact O-N 2.86Å; T107-C111 PolarHBondContact O-SG 3.31Å; D108-C111 WeakPolarHBondContact O-CB 3.36Å; D108-C111 PolarHBondContact O-N 3.15Å; C111-A113 VanDerWaalsContact C-N 3.25Å; C111-A113 PolarHBondContact O-N 3.42Å; C111-R170 WeakPolarHBondContact CB-O 3.49Å; C111-C173 HydrophobicContact CB-CB 3.55Å; C111-C173 VanDerWaalsContact SG-SG 3.7Å
112K95.9Very high97.6Very high89 Ų8913 Ų1339%0.3877%0.067SC..Hα-helixtrans-69.6-19.9174.9-71.1168.4177.7168.20113.6I70 D108 A109 L110 G114 N171I70-K112 HydrophobicContact CD1-CB 3.87Å; D108-K112 WeakPolarHBondContact O-CG 3.41Å; D108-K112 PolarHBondContact O-N 3.05Å; D108-K112 VanDerWaalsContact OD1-CE 3.27Å; D108-K112 WeakPolarHBondContact OD1-CE 3.49Å; D108-K112 IonicContact OD1-NZ 3.13Å; D108-K112 VanDerWaalsContact OD2-CE 3.31Å; D108-K112 WeakPolarHBondContact OD2-CE 3.13Å; D108-K112 IonicContact OD2-NZ 3.05Å; D108-K112 PolarHBondContact OD2-NZ 2.67Å; A109-K112 PolarHBondContact O-N 2.92Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 3.33Å; K112-G114 PolarHBondContact O-N 3.2Å; K112-N171 WeakPolarHBondContact CG-ND2 3.09Å
113A95.7Very high97.7Very high0 Ų011.8 Ų11.80%06%0.061CC..THydrogen-bonded Turntrans-70-16.2-177.600000113.6M74 A109 L110 C111 F115 M362M74-A113 WeakPolarHBondContact CB-O 3.3Å; M74-A113 HydrophobicContact CE-CB 3.74Å; M74-A113 WeakPolarHBondContact CE-O 3.42Å; A109-A113 PolarHBondContact O-N 3.16Å; L110-A113 VanDerWaalsContact O-CB 3.27Å; L110-A113 WeakPolarHBondContact O-CB 3.44Å; L110-A113 PolarHBondContact O-N 2.78Å; L110-A113 VanDerWaalsContact O-N 3.15Å; C111-A113 VanDerWaalsContact C-N 3.25Å; C111-A113 PolarHBondContact O-N 3.42Å; A113-F115 HydrophobicContact CB-CD2 4.26Å; A113-F115 HydrophobicContact CB-CE2 4.47Å; A113-M362 HydrophobicContact CB-CE 3.55Å
114G96.5Very high97.7Very high2 Ų211.1 Ų11.12%0.0216%0.058CC..THydrogen-bonded Turntrans105.96.6179.400000114.7N92 K112 K369N92-G114 PolarHBondContact ND2-O 2.99Å; K112-G114 PolarHBondContact O-N 3.2Å; G114-K369 WeakPolarHBondContact O-CE 3.38Å; G114-K369 PolarHBondContact O-NZ 2.94Å
115F98.1Very high97.6Very high1 Ų111.8 Ų11.80%0.0046%0.062CC..  trans-63.2141.5169.2-74-73000110.7K91 L96 A113 F117 V118 C173 I353 I357 M362 L365K91-F115 WeakPolarHBondContact CE-O 3.39Å; L96-F115 HydrophobicContact CB-CD1 4.34Å; L96-F115 HydrophobicContact CB-CD2 4.4Å; L96-F115 HydrophobicContact CB-CE1 4.16Å; L96-F115 HydrophobicContact CB-CE2 4.23Å; L96-F115 HydrophobicContact CB-CG 4.46Å; L96-F115 HydrophobicContact CB-CZ 4.12Å; L96-F115 HydrophobicContact CD1-CE2 4.42Å; L96-F115 HydrophobicContact CD1-CZ 4Å; A113-F115 HydrophobicContact CB-CD2 4.26Å; A113-F115 HydrophobicContact CB-CE2 4.47Å; F115-F117 VanDerWaalsContact C-N 3.26Å; F115-V118 HydrophobicContact CB-CG2 4.18Å; F115-V118 HydrophobicContact CD2-CG2 4.46Å; F115-C173 PolarHBondContact O-SG 3.47Å; F115-I353 HydrophobicContact CE1-CD1 3.91Å; F115-I353 HydrophobicContact CE1-CG1 3.92Å; F115-I353 HydrophobicContact CZ-CD1 4.32Å; F115-I353 HydrophobicContact CZ-CG1 4.46Å; F115-I357 HydrophobicContact CZ-CD1 3.84Å; F115-M362 HydrophobicContact CE2-CE 3.84Å; F115-M362 HydrophobicContact CE2-SD 4.49Å; F115-L365 HydrophobicContact CD1-CD1 3.94Å; F115-L365 HydrophobicContact CD1-CD2 3.81Å; F115-L365 HydrophobicContact CD2-CD2 4.03Å; F115-L365 HydrophobicContact CE1-CD1 3.82Å; F115-L365 HydrophobicContact CE1-CD2 3.91Å; F115-L365 HydrophobicContact CE1-CG 4.36Å; F115-L365 HydrophobicContact CE2-CD2 4.11Å; F115-L365 HydrophobicContact CG-CD2 3.87Å; F115-L365 HydrophobicContact CZ-CD2 4.04Å
116G98.1Very high97.6Very high0 Ų015.7 Ų15.70%08%0.078CC..SBendtrans-68.6-29.7168.300000112.1N92 F94 L174N92-G116 PolarHBondContact ND2-N 3.32Å; N92-G116 PolarHBondContact OD1-N 2.94Å; F94-G116 PolarHBondContact O-N 2.94Å; G116-L174 PolarHBondContact O-N 3.19Å; G116-L174 VanDerWaalsContact O-N 3.17Å
117F98.7Very high97.7Very high0 Ų020 Ų200%011%0.105CC..EExtended strand (participates in β ladder)trans-155.9157.3175.263.4-78.6000113F90 C93 G95 L96 F115 C173 L174 Y205 I329 L350 L351 Q352F90-F117 HydrophobicContact CD1-CB 4.15Å; F90-F117 AromaticContact CD1-CD1 3.68Å; F90-F117 HydrophobicContact CD1-CD1 3.68Å; F90-F117 HydrophobicContact CD1-CE1 4.48Å; F90-F117 HydrophobicContact CD1-CG 4.21Å; F90-F117 HydrophobicContact CE1-CB 3.79Å; F90-F117 AromaticContact CE1-CD1 3.67Å; F90-F117 HydrophobicContact CE1-CD1 3.67Å; F90-F117 HydrophobicContact CE1-CE1 4.43Å; F90-F117 AromaticContact CE1-CG 3.82Å; F90-F117 HydrophobicContact CE1-CG 3.82Å; C93-F117 WeakPolarHBondContact O-CE1 3.49Å; G95-F117 CarbonylContact C-O 3.59Å; G95-F117 WeakPolarHBondContact CA-O 3.42Å; G95-F117 VanDerWaalsContact N-CE1 3.31Å; L96-F117 PolarHBondContact N-O 3.45Å; F115-F117 VanDerWaalsContact C-N 3.26Å; F117-C173 VanDerWaalsContact CA-SG 3.54Å; F117-L174 CarbonylContact C-O 3.59Å; F117-L174 WeakPolarHBondContact CA-O 3.3Å; F117-L174 HydrophobicContact CB-CB 4.07Å; F117-L174 WeakPolarHBondContact CB-O 3.42Å; F117-Y205 HydrophobicContact CD2-CE1 4.44Å; F117-Y205 WeakPolarHBondContact CD2-OH 3.26Å; F117-I329 HydrophobicContact CE2-CD1 4.14Å; F117-I329 HydrophobicContact CE2-CG2 4.2Å; F117-I329 HydrophobicContact CZ-CD1 4.46Å; F117-I329 HydrophobicContact CZ-CG2 3.98Å; F117-L350 HydrophobicContact CD1-CD2 4.49Å; F117-L350 HydrophobicContact CE1-CB 3.87Å; F117-L350 HydrophobicContact CE1-CD1 4.29Å; F117-L350 HydrophobicContact CE1-CD2 4.03Å; F117-L350 HydrophobicContact CE1-CG 4.28Å; F117-L350 HydrophobicContact CZ-CB 3.86Å; F117-L350 HydrophobicContact CZ-CD1 4.44Å; F117-L351 WeakPolarHBondContact CZ-O 3.33Å; F117-Q352 HydrophobicContact CE2-CG 3.66Å; F117-Q352 HydrophobicContact CZ-CG 3.91Å
118V98.7Very high97.6Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-127.6131.3176.6172.60000108.8L96 T107 L110 F115 V120 L174 I175 G176L96-V118 HydrophobicContact CB-CG1 4.47Å; L96-V118 HydrophobicContact CB-CG2 4.36Å; L96-V118 HydrophobicContact CD2-CG1 4.36Å; T107-V118 HydrophobicContact CG2-CG1 4.28Å; L110-V118 HydrophobicContact CB-CG1 4.39Å; L110-V118 HydrophobicContact CB-CG2 3.82Å; L110-V118 HydrophobicContact CD1-CG1 4.13Å; F115-V118 HydrophobicContact CB-CG2 4.18Å; F115-V118 HydrophobicContact CD2-CG2 4.46Å; V118-V120 HydrophobicContact CG1-CG1 4.3Å; V118-L174 PolarHBondContact N-O 3.1Å; V118-I175 CarbonylContact O-C 3.52Å; V118-I175 VanDerWaalsContact O-CA 3.32Å; V118-I175 WeakPolarHBondContact O-CA 3.4Å; V118-G176 PolarHBondContact O-N 3.39Å
119E98.8Very high97.6Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-102.3112.8171.1-170.3-177.4115.900109.7L96 A98 G176 N178 V207 K252 I280 Q352L96-E119 WeakPolarHBondContact O-CB 3.42Å; L96-E119 PolarHBondContact O-N 3.27Å; A98-E119 VanDerWaalsContact CA-O 3.32Å; A98-E119 WeakPolarHBondContact CA-O 3.47Å; A98-E119 HydrophobicContact CB-CB 4.42Å; A98-E119 HydrophobicContact CB-CG 3.86Å; A98-E119 WeakPolarHBondContact CB-OE1 3.38Å; A98-E119 PolarHBondContact N-O 2.96Å; E119-G176 WeakPolarHBondContact CA-O 3.28Å; E119-N178 HydrophobicContact CG-CB 3.91Å; E119-N178 WeakPolarHBondContact OE1-CB 3.42Å; E119-N178 PolarHBondContact OE1-ND2 3.31Å; E119-V207 HydrophobicContact CG-CG2 4.42Å; E119-K252 IonicContact OE1-NZ 2.71Å; E119-K252 PolarHBondContact OE1-NZ 3.14Å; E119-I280 WeakPolarHBondContact OE2-CD1 3.47Å; E119-Q352 PolarHBondContact OE2-NE2 3.38Å
120V98.7Very high97.5Very high0 Ų023.9 Ų23.90%013%0.132CC..EExtended strand (participates in β ladder)trans-85.7155.5172.8-57.10000110.5D101 A104 T107 V118 M163 I175 G176 V177 N178D101-V120 HydrophobicContact CB-CG1 4.36Å; D101-V120 WeakPolarHBondContact O-CA 3.4Å; D101-V120 WeakPolarHBondContact O-CB 3.25Å; A104-V120 HydrophobicContact CB-CB 4.26Å; A104-V120 HydrophobicContact CB-CG1 4.02Å; A104-V120 HydrophobicContact CB-CG2 4.38Å; T107-V120 HydrophobicContact CG2-CG1 3.93Å; T107-V120 WeakPolarHBondContact OG1-CG1 3.4Å; V118-V120 HydrophobicContact CG1-CG1 4.3Å; V120-M163 HydrophobicContact CG2-SD 4.22Å; V120-I175 HydrophobicContact CG1-CG2 4.29Å; V120-G176 WeakPolarHBondContact CG2-O 3.29Å; V120-G176 PolarHBondContact N-O 2.92Å; V120-V177 HydrophobicContact CG2-CB 4.28Å; V120-V177 HydrophobicContact CG2-CG1 4.3Å; V120-V177 HydrophobicContact CG2-CG2 3.81Å; V120-N178 VanDerWaalsContact O-CB 3.27Å; V120-N178 WeakPolarHBondContact O-CB 3.26Å; V120-N178 PolarHBondContact O-N 3.41Å
121G98.2Very high97.5Very high0 Ų025.5 Ų25.50%014%0.141CC..EExtended strand (participates in β ladder)trans110.1-166.2179.500000114.5G99 D101 K102G99-G121 WeakPolarHBondContact CA-O 3.38Å; G99-G121 PolarHBondContact N-O 3.31Å; D101-G121 PolarHBondContact O-N 2.76Å; D101-G121 VanDerWaalsContact O-N 3.14Å; K102-G121 WeakPolarHBondContact CA-O 3.23Å; K102-G121 VanDerWaalsContact O-CA 3.23Å; K102-G121 WeakPolarHBondContact O-CA 3.46Å; K102-G121 PolarHBondContact O-N 2.89Å
122S98.1Very high97.4Very high12 Ų1232.5 Ų32.58%0.08417%0.174CC..EExtended strand (participates in β ladder)cis-71.2122.23.4-61.90000113F151 N178 N209S122-F151 VanDerWaalsContact CB-CD1 3.47Å; S122-F151 VanDerWaalsContact CB-CE1 3.4Å; S122-F151 VanDerWaalsContact OG-CE1 3.3Å; S122-F151 WeakPolarHBondContact OG-CE1 3.3Å; S122-N178 CarbonylContact C-O 3.6Å; S122-N178 VanDerWaalsContact CA-O 3.27Å; S122-N178 WeakPolarHBondContact CA-O 3.38Å; S122-N178 WeakPolarHBondContact CB-OD1 3.21Å; S122-N178 PolarHBondContact OG-OD1 3.05Å; S122-N209 PolarHBondContact OG-ND2 3.13Å
123V98.5Very high97.4Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-91.5144.2175.9-158.20000109.2F156 V159 V177 N178 G180 F199V123-F156 HydrophobicContact CB-CD1 4.03Å; V123-F156 HydrophobicContact CB-CE1 4.15Å; V123-F156 HydrophobicContact CG1-CD1 3.7Å; V123-F156 HydrophobicContact CG1-CE1 4.26Å; V123-F156 WeakPolarHBondContact O-CE1 3.1Å; V123-V159 HydrophobicContact CB-CG2 4.37Å; V123-V159 HydrophobicContact CG1-CB 4.01Å; V123-V159 HydrophobicContact CG1-CG2 3.47Å; V123-V159 VanDerWaalsContact CG1-CG2 3.47Å; V123-V159 HydrophobicContact CG2-CB 4.25Å; V123-V159 HydrophobicContact CG2-CG1 3.97Å; V123-V159 HydrophobicContact CG2-CG2 3.9Å; V123-V177 HydrophobicContact CG2-CG1 4.34Å; V123-N178 PolarHBondContact N-O 2.71Å; V123-G180 PolarHBondContact O-N 3.18Å; V123-F199 HydrophobicContact CB-CZ 4.45Å; V123-F199 HydrophobicContact CG1-CZ 4.36Å
124T98.3Very high97.3Very high0 Ų036.8 Ų36.80%021%0.21CC..  trans-110.7156.7175.653.50000110.8K126 Q128 F151 S153 G155 F156 K181 N182T124-K126 PolarHBondContact O-N 2.83Å; T124-K126 PolarHBondContact OG1-O 3.22Å; T124-Q128 HydrophobicContact CG2-CG 4.37Å; T124-F151 HydrophobicContact CG2-CB 3.87Å; T124-F151 HydrophobicContact CG2-CD2 4.33Å; T124-F151 HydrophobicContact CG2-CG 4.5Å; T124-S153 PolarHBondContact N-OG 2.79Å; T124-S153 WeakPolarHBondContact OG1-CB 3.37Å; T124-S153 PolarHBondContact OG1-OG 3.03Å; T124-G155 CarbonylContact O-C 3.56Å; T124-G155 VanDerWaalsContact O-CA 3.23Å; T124-G155 WeakPolarHBondContact O-CA 3.32Å; T124-F156 WeakPolarHBondContact O-CD1 3.33Å; T124-F156 WeakPolarHBondContact O-CE1 2.94Å; T124-F156 PolarHBondContact O-N 3.03Å; T124-F156 VanDerWaalsContact O-N 3.07Å; T124-K181 WeakPolarHBondContact CG2-O 3.33Å; T124-N182 WeakPolarHBondContact CB-ND2 3.41Å; T124-N182 PolarHBondContact OG1-ND2 3.07Å
125P98.1Very high97.3Very high21 Ų2137.6 Ų37.614%0.13621%0.213CC..SBendtrans-52.5-55.4178.8-26.530000113.7F156 G180 N182 D191 L194P125-F156 HydrophobicContact CB-CD2 4.09Å; P125-F156 HydrophobicContact CB-CE2 3.82Å; P125-F156 HydrophobicContact CB-CZ 4.19Å; P125-F156 VanDerWaalsContact CD-CZ 3.49Å; P125-F156 HydrophobicContact CG-CD2 4.38Å; P125-F156 HydrophobicContact CG-CE1 4.43Å; P125-F156 HydrophobicContact CG-CE2 3.61Å; P125-F156 HydrophobicContact CG-CZ 3.63Å; P125-F156 PolarHBondContact O-N 2.79Å; P125-F156 VanDerWaalsContact O-N 3.13Å; P125-G180 WeakPolarHBondContact CD-O 3.04Å; P125-N182 WeakPolarHBondContact CB-OD1 3.41Å; P125-N182 WeakPolarHBondContact CD-OD1 3.29Å; P125-D191 HydrophobicContact CG-CB 3.55Å; P125-L194 HydrophobicContact CB-CD2 4.24Å
126K98Very high97.2Very high140 Ų14038.5 Ų38.561%0.60922%0.218SC*.SBendtrans-97150.5175.2-60.8177.9-176.7176.30110.3T124 N182T124-K126 PolarHBondContact O-N 2.83Å; T124-K126 PolarHBondContact OG1-O 3.22Å; K126-N182 PolarHBondContact N-OD1 3.05Å; K126-N182 PolarHBondContact O-ND2 2.95Å
127P98Very high97.1Very high94 Ų9440.5 Ų40.561%0.6123%0.227SC*.  trans-55.9142.4168.5-18.528.8000111.3S153 Q154P127-S153 CarbonylContact C-O 3.56Å; P127-S153 VanDerWaalsContact CA-O 3.26Å; P127-S153 WeakPolarHBondContact CA-O 3.46Å; P127-Q154 WeakPolarHBondContact CG-O 3.25Å
128Q97.2Very high97.1Very high24 Ų2442.5 Ų42.511%0.11223%0.234CC..BIsolated β-bridgetrans-153.6146.417263.6176.74900111T124 G130 G150 F151 N152 S153 N182T124-Q128 HydrophobicContact CG2-CG 4.37Å; Q128-G130 VanDerWaalsContact C-N 3.31Å; Q128-G130 PolarHBondContact O-N 2.7Å; Q128-G150 PolarHBondContact NE2-O 2.75Å; Q128-G150 VanDerWaalsContact NE2-O 3.13Å; Q128-F151 WeakPolarHBondContact CG-O 3.17Å; Q128-F151 PolarHBondContact NE2-O 3.09Å; Q128-N152 WeakPolarHBondContact O-CA 3.49Å; Q128-S153 PolarHBondContact N-O 2.97Å; Q128-S153 PolarHBondContact O-N 3.14Å; Q128-N182 VanDerWaalsContact OE1-CA 3.3Å; Q128-N182 PolarHBondContact OE1-ND2 3.31Å
129P95.8Very high97Very high104 Ų10442.8 Ų42.868%0.67524%0.236SC*.  trans-75-16.8-174.729.6-36000114.3R135 N152P129-R135 PolarHBondContact O-NH1 3.29Å; P129-N152 WeakPolarHBondContact O-CB 3.12Å
130G95.2Very high96.8Very high13 Ų1347.6 Ų47.613%0.13426%0.261CS..  trans85.3-155.8-169.400000112.5Q128 C149Q128-G130 VanDerWaalsContact C-N 3.31Å; Q128-G130 PolarHBondContact O-N 2.7Å; G130-C149 CarbonylContact C-O 3.52Å; G130-C149 WeakPolarHBondContact CA-O 3.5Å
131N95.9Very high96.7Very high34 Ų3450.5 Ų50.518%0.18229%0.285CS..SBendtrans-85.7162.9172.7-62-32.5000110.9R135 H148 C149 K183 N214N131-R135 WeakPolarHBondContact O-CD 3.22Å; N131-R135 PolarHBondContact O-NH1 2.71Å; N131-H148 WeakPolarHBondContact CB-O 3.45Å; N131-H148 PolarHBondContact ND2-O 2.84Å; N131-C149 PolarHBondContact N-O 2.63Å; N131-K183 PolarHBondContact OD1-NZ 2.81Å; N131-N214 PolarHBondContact ND2-O 2.89Å
132E95.5Very high96.7Very high149 Ų14951.2 Ų51.270%0.69629%0.288SS*.PPolyproline II helixtrans-68.4141.3-177-66.1-55133.400113
133P94.6Very high96.6Very high79 Ų7954.9 Ų54.951%0.51330%0.301SS..SBendtrans-71.2158.4170.1-18.632.8000113.6
134P94.7Very high96.6Very high99 Ų9954.9 Ų54.964%0.64330%0.301SS*.SBendcis-73.8129.7-4.530.4-33.8000111.2H148P134-H148 PolarHBondContact O-CE1 3.39Å; P134-H148 VanDerWaalsContact O-CE1 3.29Å; P134-H148 PolarHBondContact O-NE2 2.78Å
135R96Very high96.6Very high20 Ų2055.4 Ų55.48%0.07530%0.303CS..  trans-130.210.3-175.771.3-150.7171.2153.8-2.3115.4E53 P129 N131 N147 H148 C149E53-R135 VanDerWaalsContact OE1-CG 3.31Å; E53-R135 WeakPolarHBondContact OE1-CG 3.4Å; E53-R135 IonicContact OE1-NE 3.49Å; E53-R135 PolarHBondContact OE1-NE 2.99Å; E53-R135 VanDerWaalsContact OE1-NE 3.13Å; E53-R135 IonicContact OE2-CZ 2.63Å; E53-R135 IonicContact OE2-NE 3.57Å; E53-R135 PolarHBondContact OE2-NE 2.77Å; E53-R135 IonicContact OE2-NH2 2.86Å; E53-R135 PolarHBondContact OE2-NH2 3.44Å; P129-R135 PolarHBondContact O-NH1 3.29Å; N131-R135 WeakPolarHBondContact O-CD 3.22Å; N131-R135 PolarHBondContact O-NH1 2.71Å; R135-N147 CarbonylContact O-C 3.44Å; R135-N147 VanDerWaalsContact O-CA 3.29Å; R135-N147 WeakPolarHBondContact O-CA 3.37Å; R135-H148 WeakPolarHBondContact CA-CE1 3.34Å; R135-H148 VanDerWaalsContact CB-CD2 3.49Å; R135-H148 WeakPolarHBondContact CB-CD2 3.43Å; R135-H148 VanDerWaalsContact CB-NE2 3.35Å; R135-H148 WeakPolarHBondContact CB-NE2 3.44Å; R135-H148 PolarHBondContact O-N 2.89Å; R135-C149 HydrophobicContact CG-CB 4.43Å; R135-C149 PolarHBondContact NH1-O 3.42Å
136I96.8Very high96.6Very high20 Ų2054.4 Ų54.410%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-134.8125.7172.1-55.1-177.9000106.6P52 E53 L145 I146 N147 C149P52-I136 HydrophobicContact CB-CB 3.87Å; P52-I136 HydrophobicContact CB-CG2 3.58Å; P52-I136 HydrophobicContact CG-CG2 4.45Å; P52-I136 WeakPolarHBondContact CG-O 3.42Å; E53-I136 HydrophobicContact CG-CB 4.48Å; E53-I136 HydrophobicContact CG-CD1 3.72Å; E53-I136 HydrophobicContact CG-CG1 4.09Å; I136-L145 HydrophobicContact CG2-CD2 4.5Å; I136-I146 CarbonylContact C-O 3.51Å; I136-I146 WeakPolarHBondContact CA-O 3.42Å; I136-N147 HydrophobicContact CG1-CB 4.23Å; I136-C149 VanDerWaalsContact CG1-SG 3.54Å
137H96.5Very high96.5Very high42 Ų4249.7 Ų49.719%0.19428%0.278CS..EExtended strand (participates in β ladder)trans-123.8133.5-179.1-53.3-95.6000109.2L145 I146 H148 Y298H137-L145 WeakPolarHBondContact O-CA 3.37Å; H137-I146 PolarHBondContact N-O 2.96Å; H137-I146 PolarHBondContact O-N 2.99Å; H137-H148 AromaticContact NE2-CE1 3.77Å; H137-Y298 HydrophobicContact CB-CE2 3.58Å; H137-Y298 WeakPolarHBondContact CB-OH 3.42Å; H137-Y298 AromaticContact CD2-CD2 3.72Å; H137-Y298 AromaticContact CD2-CE2 3.44Å; H137-Y298 VanDerWaalsContact CD2-CE2 3.44Å; H137-Y298 WeakPolarHBondContact CD2-CE2 3.13Å; H137-Y298 AromaticContact CG-CE2 3.4Å; H137-Y298 AromaticContact CG-CZ 3.64Å; H137-Y298 AromaticContact ND1-CZ 4Å
138R96.6Very high96.4Very high41 Ų4147.4 Ų47.416%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-92.1121.2172.9-67.1174.5-159.2136.3-3109H47 L50 D51 P52 I140 L145H47-R138 VanDerWaalsContact CA-NH1 3.31Å; H47-R138 PolarHBondContact CD2-NE 2.96Å; H47-R138 PolarHBondContact NE2-NE 3.44Å; H47-R138 PolarHBondContact O-NH1 3.08Å; H47-R138 VanDerWaalsContact O-NH1 3.12Å; L50-R138 PolarHBondContact O-NH1 3.22Å; L50-R138 PolarHBondContact O-NH2 2.89Å; D51-R138 VanDerWaalsContact C-NH2 3.3Å; D51-R138 PolarHBondContact O-NH2 3.11Å; D51-R138 VanDerWaalsContact O-NH2 3.13Å; P52-R138 VanDerWaalsContact CA-NH2 3.32Å; P52-R138 HydrophobicContact CB-CG 4.42Å; P52-R138 HydrophobicContact CG-CG 3.87Å; R138-I140 HydrophobicContact CB-CD1 3.77Å; R138-I140 HydrophobicContact CB-CG1 4.41Å; R138-I140 PolarHBondContact O-N 3.23Å; R138-L145 HydrophobicContact CB-CD2 4.32Å; R138-L145 HydrophobicContact CG-CD2 3.7Å
139L96.9Very high96.4Very high7 Ų746.6 Ų46.64%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-93.686.3168-57.5-175.3000107.6A141 D142 R143 A144 I146 M292 V296 Y298 L302 Y359L139-A141 VanDerWaalsContact C-N 3.34Å; L139-A141 PolarHBondContact O-N 3.41Å; L139-D142 HydrophobicContact CB-CB 3.97Å; L139-D142 CarbonylContact O-C 3.47Å; L139-D142 PolarHBondContact O-N 3.06Å; L139-R143 PolarHBondContact O-N 3.39Å; L139-A144 HydrophobicContact CB-CB 4.07Å; L139-A144 HydrophobicContact CD1-CB 4.23Å; L139-A144 PolarHBondContact N-O 3.47Å; L139-A144 PolarHBondContact O-N 2.95Å; L139-I146 HydrophobicContact CD1-CD1 3.81Å; L139-I146 HydrophobicContact CD1-CG1 4.09Å; L139-I146 HydrophobicContact CG-CD1 4.42Å; L139-M292 HydrophobicContact CD1-CE 3.44Å; L139-M292 VanDerWaalsContact CD1-CE 3.44Å; L139-V296 HydrophobicContact CD1-CG2 3.86Å; L139-V296 HydrophobicContact CD2-CG2 3.86Å; L139-Y298 WeakPolarHBondContact CD2-OH 3.46Å; L139-L302 HydrophobicContact CD1-CD1 3.87Å; L139-Y359 PolarHBondContact N-OH 3.19Å; L139-Y359 PolarHBondContact O-OH 3.48Å
140I96Very high96.4Very high100 Ų10041.8 Ų41.851%0.51323%0.226SC..THydrogen-bonded Turntrans-60.2-45-169.8-59.2-62.7000111.3R138 D142 R143 Y359R138-I140 HydrophobicContact CB-CD1 3.77Å; R138-I140 HydrophobicContact CB-CG1 4.41Å; R138-I140 PolarHBondContact O-N 3.23Å; I140-D142 VanDerWaalsContact C-N 3.31Å; I140-D142 PolarHBondContact O-N 2.89Å; I140-R143 PolarHBondContact O-N 3.29Å; I140-Y359 HydrophobicContact CD1-CE1 3.86Å
141A95.9Very high96.4Very high61 Ų6142 Ų4250%0.50422%0.223SC..THydrogen-bonded Turntrans-60.6-41.617900000111.8L139 R143 L293L139-A141 VanDerWaalsContact C-N 3.34Å; L139-A141 PolarHBondContact O-N 3.41Å; A141-R143 VanDerWaalsContact C-N 3.31Å; A141-R143 PolarHBondContact O-N 3.41Å; A141-L293 HydrophobicContact CB-CB 3.73Å; A141-L293 HydrophobicContact CB-CD1 3.96Å; A141-L293 WeakPolarHBondContact O-CD1 3.46Å
142D97.4Very high96.4Very high15 Ų1541.7 Ų41.78%0.0822%0.221CC..THydrogen-bonded Turntrans-82.4-6.5-180-58.2-87000114L139 I140 A144 M292 L293 S294 P306L139-D142 HydrophobicContact CB-CB 3.97Å; L139-D142 CarbonylContact O-C 3.47Å; L139-D142 PolarHBondContact O-N 3.06Å; I140-D142 VanDerWaalsContact C-N 3.31Å; I140-D142 PolarHBondContact O-N 2.89Å; D142-A144 HydrophobicContact CB-CB 3.75Å; D142-A144 PolarHBondContact O-N 3.05Å; D142-M292 WeakPolarHBondContact OD1-CA 3.34Å; D142-L293 PolarHBondContact OD1-N 2.96Å; D142-S294 WeakPolarHBondContact OD2-CB 3.39Å; D142-S294 PolarHBondContact OD2-N 3.06Å; D142-S294 PolarHBondContact OD2-OG 2.8Å; D142-P306 HydrophobicContact CB-CG 4.19Å
143R97.5Very high96.5Very high90 Ų9035 Ų3534%0.3419%0.191SC..THydrogen-bonded Turntrans48.340.3-167.6-56.8179.569.182.4-4.3111.9L139 I140 A141 P305 T355 Y359 E360L139-R143 PolarHBondContact O-N 3.39Å; I140-R143 PolarHBondContact O-N 3.29Å; A141-R143 VanDerWaalsContact C-N 3.31Å; A141-R143 PolarHBondContact O-N 3.41Å; R143-P305 HydrophobicContact CB-CG 4.29Å; R143-P305 WeakPolarHBondContact O-CD 3.29Å; R143-T355 WeakPolarHBondContact O-CG2 3.3Å; R143-Y359 HydrophobicContact CB-CD1 4.48Å; R143-Y359 HydrophobicContact CB-CD2 4.23Å; R143-Y359 HydrophobicContact CB-CE2 4.4Å; R143-Y359 HydrophobicContact CB-CG 4.28Å; R143-Y359 VanDerWaalsContact O-CE2 3.29Å; R143-Y359 WeakPolarHBondContact O-CE2 3.35Å; R143-E360 IonicContact CZ-OE1 2.83Å; R143-E360 IonicContact NE-OE1 3.9Å; R143-E360 IonicContact NH2-OE1 3.05Å; R143-E360 PolarHBondContact NH2-OE1 3.36Å
144A98Very high96.7Very high0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-120.3164.4-171.600000111.9L139 D142 L302 S303 P306 Y359L139-A144 HydrophobicContact CB-CB 4.07Å; L139-A144 HydrophobicContact CD1-CB 4.23Å; L139-A144 PolarHBondContact N-O 3.47Å; L139-A144 PolarHBondContact O-N 2.95Å; D142-A144 HydrophobicContact CB-CB 3.75Å; D142-A144 PolarHBondContact O-N 3.05Å; A144-L302 HydrophobicContact CB-CD1 3.96Å; A144-S303 VanDerWaalsContact CA-O 3.27Å; A144-S303 WeakPolarHBondContact CA-O 3.19Å; A144-S303 WeakPolarHBondContact CB-O 3.26Å; A144-P306 HydrophobicContact CB-CG 4.08Å; A144-Y359 PolarHBondContact N-OH 2.96Å; A144-Y359 PolarHBondContact O-OH 2.74Å
145L97.6Very high96.9Very high11 Ų1130.4 Ų30.46%0.05815%0.154CC..EExtended strand (participates in β ladder)trans-127.2140.7171.9-61.8165.7000109.4I136 H137 R138 L302 S303 Y354 T355 T358 Y359I136-L145 HydrophobicContact CG2-CD2 4.5Å; H137-L145 WeakPolarHBondContact O-CA 3.37Å; R138-L145 HydrophobicContact CB-CD2 4.32Å; R138-L145 HydrophobicContact CG-CD2 3.7Å; L145-L302 CarbonylContact O-C 3.59Å; L145-L302 WeakPolarHBondContact O-CA 3.22Å; L145-S303 WeakPolarHBondContact CB-OG 3.31Å; L145-S303 PolarHBondContact N-O 3.41Å; L145-S303 VanDerWaalsContact N-O 3.11Å; L145-S303 PolarHBondContact O-N 2.67Å; L145-S303 PolarHBondContact O-OG 2.9Å; L145-S303 VanDerWaalsContact O-OG 3.05Å; L145-Y354 HydrophobicContact CD1-CD1 4.17Å; L145-Y354 HydrophobicContact CD1-CE1 3.89Å; L145-T355 HydrophobicContact CD1-CG2 4.14Å; L145-T355 HydrophobicContact CG-CG2 4.03Å; L145-T358 HydrophobicContact CD1-CG2 4.15Å; L145-T358 HydrophobicContact CD2-CG2 4.12Å; L145-Y359 HydrophobicContact CG-CE2 4.45Å
146I97.7Very high97Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-111.7129.5162.6-67.8174.5000107.7I136 H137 L139 V296 Y298 G301 L302I136-I146 CarbonylContact C-O 3.51Å; I136-I146 WeakPolarHBondContact CA-O 3.42Å; H137-I146 PolarHBondContact N-O 2.96Å; H137-I146 PolarHBondContact O-N 2.99Å; L139-I146 HydrophobicContact CD1-CD1 3.81Å; L139-I146 HydrophobicContact CD1-CG1 4.09Å; L139-I146 HydrophobicContact CG-CD1 4.42Å; I146-V296 HydrophobicContact CD1-CB 4.27Å; I146-V296 HydrophobicContact CD1-CG1 3.3Å; I146-V296 HydrophobicContact CD1-CG2 4.03Å; I146-Y298 HydrophobicContact CB-CD2 4.49Å; I146-Y298 HydrophobicContact CB-CE2 3.77Å; I146-Y298 HydrophobicContact CD1-CD2 4.43Å; I146-Y298 HydrophobicContact CD1-CE2 3.71Å; I146-Y298 HydrophobicContact CG1-CE2 4.34Å; I146-Y298 HydrophobicContact CG2-CD2 3.87Å; I146-Y298 HydrophobicContact CG2-CE2 3.64Å; I146-G301 WeakPolarHBondContact CA-O 3.36Å; I146-L302 HydrophobicContact CD1-CD1 4.25Å; I146-L302 HydrophobicContact CG1-CB 4.17Å; I146-L302 HydrophobicContact CG1-CD1 3.73Å
147N96.8Very high97.1Very high41 Ų4132.5 Ų32.522%0.21918%0.178CC..EExtended strand (participates in β ladder)trans-130.6141.6176.275.897.1000111.4R135 I136 N214 G300 G301R135-N147 CarbonylContact O-C 3.44Å; R135-N147 VanDerWaalsContact O-CA 3.29Å; R135-N147 WeakPolarHBondContact O-CA 3.37Å; I136-N147 HydrophobicContact CG1-CB 4.23Å; N147-N214 PolarHBondContact O-ND2 3.31Å; N147-N214 PolarHBondContact O-OD1 3.04Å; N147-N214 PolarHBondContact OD1-ND2 3.08Å; N147-N214 VanDerWaalsContact OD1-ND2 3.15Å; N147-G300 WeakPolarHBondContact O-CA 3.47Å; N147-G301 PolarHBondContact N-O 2.81Å; N147-G301 VanDerWaalsContact N-O 3.1Å; N147-G301 PolarHBondContact ND2-O 3.37Å; N147-G301 PolarHBondContact O-N 2.65Å
148H96.7Very high97.1Very high45 Ų4531.3 Ų31.321%0.20818%0.177CC..  trans-127.437.2170.565.8-96.6000113.2N131 P134 R135 H137 G150 N214 E299N131-H148 WeakPolarHBondContact CB-O 3.45Å; N131-H148 PolarHBondContact ND2-O 2.84Å; P134-H148 PolarHBondContact O-CE1 3.39Å; P134-H148 VanDerWaalsContact O-CE1 3.29Å; P134-H148 PolarHBondContact O-NE2 2.78Å; R135-H148 WeakPolarHBondContact CA-CE1 3.34Å; R135-H148 VanDerWaalsContact CB-CD2 3.49Å; R135-H148 WeakPolarHBondContact CB-CD2 3.43Å; R135-H148 VanDerWaalsContact CB-NE2 3.35Å; R135-H148 WeakPolarHBondContact CB-NE2 3.44Å; R135-H148 PolarHBondContact O-N 2.89Å; H137-H148 AromaticContact NE2-CE1 3.77Å; H148-G150 PolarHBondContact O-N 2.85Å; H148-N214 WeakPolarHBondContact CA-OD1 3.44Å; H148-E299 PolarHBondContact ND1-O 3.44Å
149C96.1Very high97.2Very high8 Ų829.3 Ų29.35%0.05417%0.169CC..  trans-60.3-30.3-170.6-56.60000116.5G130 N131 R135 I136 N152G130-C149 CarbonylContact C-O 3.52Å; G130-C149 WeakPolarHBondContact CA-O 3.5Å; N131-C149 PolarHBondContact N-O 2.63Å; R135-C149 HydrophobicContact CG-CB 4.43Å; R135-C149 PolarHBondContact NH1-O 3.42Å; I136-C149 VanDerWaalsContact CG1-SG 3.54Å; C149-N152 WeakPolarHBondContact CB-OD1 3.28Å
150G95.2Very high97.3Very high3 Ų332.1 Ų32.13%0.03118%0.181CC..  trans70.539.8176.500000116.3Q128 H148 N214Q128-G150 PolarHBondContact NE2-O 2.75Å; Q128-G150 VanDerWaalsContact NE2-O 3.13Å; H148-G150 PolarHBondContact O-N 2.85Å; G150-N214 WeakPolarHBondContact CA-O 3.28Å
151F95.4Very high97.4Very high16 Ų1633 Ų337%0.0718%0.183CC..  trans53.359.3-178.9-63.9-21.2000113.3S122 T124 Q128 S153 N209 T215 L218S122-F151 VanDerWaalsContact CB-CD1 3.47Å; S122-F151 VanDerWaalsContact CB-CE1 3.4Å; S122-F151 VanDerWaalsContact OG-CE1 3.3Å; S122-F151 WeakPolarHBondContact OG-CE1 3.3Å; T124-F151 HydrophobicContact CG2-CB 3.87Å; T124-F151 HydrophobicContact CG2-CD2 4.33Å; T124-F151 HydrophobicContact CG2-CG 4.5Å; Q128-F151 WeakPolarHBondContact CG-O 3.17Å; Q128-F151 PolarHBondContact NE2-O 3.09Å; F151-S153 PolarHBondContact O-N 3.22Å; F151-N209 HydrophobicContact CZ-CB 4.37Å; F151-T215 HydrophobicContact CD2-CG2 4.45Å; F151-L218 HydrophobicContact CE2-CD2 3.74Å; F151-L218 HydrophobicContact CZ-CD2 3.76Å
152N97.1Very high97.5Very high28 Ų2832.3 Ų32.315%0.1517%0.168CC..  trans-66.3126.7165.563.6-67.8000109.8K102 Q128 P129 C149K102-N152 WeakPolarHBondContact CD-ND2 3.2Å; K102-N152 WeakPolarHBondContact CD-OD1 3.44Å; K102-N152 VanDerWaalsContact CE-OD1 3.3Å; K102-N152 WeakPolarHBondContact CE-OD1 3.32Å; Q128-N152 WeakPolarHBondContact O-CA 3.49Å; P129-N152 WeakPolarHBondContact O-CB 3.12Å; C149-N152 WeakPolarHBondContact CB-OD1 3.28Å
153S98.1Very high97.5Very high9 Ų931.7 Ų31.76%0.06316%0.164CC..BIsolated β-bridgetrans-157.8145.4-168.5143.50000111.2T124 P127 Q128 F151 G155T124-S153 PolarHBondContact N-OG 2.79Å; T124-S153 WeakPolarHBondContact OG1-CB 3.37Å; T124-S153 PolarHBondContact OG1-OG 3.03Å; P127-S153 CarbonylContact C-O 3.56Å; P127-S153 VanDerWaalsContact CA-O 3.26Å; P127-S153 WeakPolarHBondContact CA-O 3.46Å; Q128-S153 PolarHBondContact N-O 2.97Å; Q128-S153 PolarHBondContact O-N 3.14Å; F151-S153 PolarHBondContact O-N 3.22Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 3.23Å; S153-G155 PolarHBondContact OG-N 2.77Å
154Q98.2Very high97.4Very high81 Ų8132.2 Ų32.238%0.37917%0.17SC..  trans-85.68.3174.2-65.6178.619.500113.3D103 P127 R162D103-Q154 HydrophobicContact CB-CG 4.31Å; D103-Q154 WeakPolarHBondContact OD1-CB 3.16Å; D103-Q154 PolarHBondContact OD1-N 2.99Å; P127-Q154 WeakPolarHBondContact CG-O 3.25Å; Q154-R162 VanDerWaalsContact OE1-CZ 3.23Å
155G98.3Very high97.3Very high1 Ų138.8 Ų38.81%0.0120%0.201CC..Hα-helixtrans85.3160.4176.800000113.7T124 S153 A157 G158 V159T124-G155 CarbonylContact O-C 3.56Å; T124-G155 VanDerWaalsContact O-CA 3.23Å; T124-G155 WeakPolarHBondContact O-CA 3.32Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 3.23Å; S153-G155 PolarHBondContact OG-N 2.77Å; G155-A157 VanDerWaalsContact C-N 3.31Å; G155-A157 PolarHBondContact O-N 3.05Å; G155-G158 PolarHBondContact O-N 2.8Å; G155-V159 PolarHBondContact O-N 2.74Å
156F98.6Very high97.3Very high5 Ų539.7 Ų39.72%0.02221%0.206CC..Hα-helixtrans-59.5-39.8-178-71.3-10000113.3V123 T124 P125 V159 F160 V179 L194 G195 V198 F199V123-F156 HydrophobicContact CB-CD1 4.03Å; V123-F156 HydrophobicContact CB-CE1 4.15Å; V123-F156 HydrophobicContact CG1-CD1 3.7Å; V123-F156 HydrophobicContact CG1-CE1 4.26Å; V123-F156 WeakPolarHBondContact O-CE1 3.1Å; T124-F156 WeakPolarHBondContact O-CD1 3.33Å; T124-F156 WeakPolarHBondContact O-CE1 2.94Å; T124-F156 PolarHBondContact O-N 3.03Å; T124-F156 VanDerWaalsContact O-N 3.07Å; P125-F156 HydrophobicContact CB-CD2 4.09Å; P125-F156 HydrophobicContact CB-CE2 3.82Å; P125-F156 HydrophobicContact CB-CZ 4.19Å; P125-F156 VanDerWaalsContact CD-CZ 3.49Å; P125-F156 HydrophobicContact CG-CD2 4.38Å; P125-F156 HydrophobicContact CG-CE1 4.43Å; P125-F156 HydrophobicContact CG-CE2 3.61Å; P125-F156 HydrophobicContact CG-CZ 3.63Å; P125-F156 PolarHBondContact O-N 2.79Å; P125-F156 VanDerWaalsContact O-N 3.13Å; F156-V159 PolarHBondContact O-N 2.62Å; F156-F160 WeakPolarHBondContact O-CB 3.32Å; F156-F160 PolarHBondContact O-N 2.84Å; F156-V179 HydrophobicContact CE1-CG1 3.91Å; F156-V179 HydrophobicContact CZ-CG1 3.54Å; F156-L194 HydrophobicContact CD2-CD2 4.05Å; F156-L194 HydrophobicContact CD2-CG 3.96Å; F156-L194 HydrophobicContact CE2-CB 4.15Å; F156-L194 HydrophobicContact CE2-CD2 4.18Å; F156-L194 HydrophobicContact CE2-CG 4.01Å; F156-G195 VanDerWaalsContact CE2-CA 3.44Å; F156-G195 VanDerWaalsContact CE2-N 3.33Å; F156-V198 HydrophobicContact CB-CG1 4.23Å; F156-V198 HydrophobicContact CD2-CG2 4.37Å; F156-F199 HydrophobicContact CB-CE2 4.29Å; F156-F199 HydrophobicContact CB-CZ 4.1Å; F156-F199 AromaticContact CD1-CE2 3.43Å; F156-F199 HydrophobicContact CD1-CE2 3.43Å; F156-F199 VanDerWaalsContact CD1-CE2 3.43Å; F156-F199 AromaticContact CD1-CZ 3.79Å; F156-F199 HydrophobicContact CD1-CZ 3.79Å; F156-F199 HydrophobicContact CD2-CE2 4.48Å; F156-F199 AromaticContact CE1-CE2 3.82Å; F156-F199 HydrophobicContact CE1-CE2 3.82Å; F156-F199 AromaticContact CG-CE2 3.82Å; F156-F199 HydrophobicContact CG-CE2 3.82Å; F156-F199 HydrophobicContact CG-CZ 4.1Å
157A98.2Very high97.1Very high79 Ų7942.3 Ų42.365%0.65322%0.223SC*.Hα-helixtrans-60.4-49.5-177.400000112.1G155 V159 F160 E161G155-A157 VanDerWaalsContact C-N 3.31Å; G155-A157 PolarHBondContact O-N 3.05Å; A157-V159 PolarHBondContact O-N 3.26Å; A157-F160 PolarHBondContact O-N 3.04Å; A157-E161 PolarHBondContact O-N 2.95Å
158G97.8Very high96.6Very high16 Ų1647.8 Ų47.817%0.16526%0.257CS..Hα-helixtrans-66.2-38.9-179.500000112.8G155 R162G155-G158 PolarHBondContact O-N 2.8Å; G158-R162 VanDerWaalsContact O-CZ 3.32Å; G158-R162 PolarHBondContact O-N 3.17Å
159V98.5Very high96.1Very high0 Ų048 Ų480%027%0.272CS..Hα-helixtrans-70.4-40.6176.1-179.40000111.4D103 A104 V123 G155 F156 A157 E161 R162 M163 F199D103-V159 HydrophobicContact CB-CG2 4.35Å; A104-V159 HydrophobicContact CB-CG1 3.81Å; V123-V159 HydrophobicContact CB-CG2 4.37Å; V123-V159 HydrophobicContact CG1-CB 4.01Å; V123-V159 HydrophobicContact CG1-CG2 3.47Å; V123-V159 VanDerWaalsContact CG1-CG2 3.47Å; V123-V159 HydrophobicContact CG2-CB 4.25Å; V123-V159 HydrophobicContact CG2-CG1 3.97Å; V123-V159 HydrophobicContact CG2-CG2 3.9Å; G155-V159 PolarHBondContact O-N 2.74Å; F156-V159 PolarHBondContact O-N 2.62Å; A157-V159 PolarHBondContact O-N 3.26Å; V159-E161 VanDerWaalsContact C-N 3.35Å; V159-E161 PolarHBondContact O-N 3.03Å; V159-R162 PolarHBondContact O-N 3.1Å; V159-M163 HydrophobicContact CG1-CG 4.07Å; V159-M163 WeakPolarHBondContact O-CB 3.05Å; V159-M163 WeakPolarHBondContact O-CG 3.38Å; V159-M163 PolarHBondContact O-N 3.22Å; V159-F199 HydrophobicContact CB-CE1 4.16Å; V159-F199 HydrophobicContact CB-CZ 4.16Å; V159-F199 HydrophobicContact CG1-CE1 3.93Å; V159-F199 HydrophobicContact CG1-CZ 4.18Å
160F98.4Very high95.9Very high65 Ų6549.6 Ų49.629%0.28528%0.277SS..Hα-helixtrans-59.6-46.2177178-101000111.2F156 A157 R162 M163 Q164 V198 F199 P201F156-F160 WeakPolarHBondContact O-CB 3.32Å; F156-F160 PolarHBondContact O-N 2.84Å; A157-F160 PolarHBondContact O-N 3.04Å; F160-R162 PolarHBondContact O-N 3.37Å; F160-M163 PolarHBondContact O-N 3.49Å; F160-Q164 HydrophobicContact CD1-CG 4.15Å; F160-Q164 HydrophobicContact CE1-CG 3.75Å; F160-Q164 HydrophobicContact CE2-CG 4.19Å; F160-Q164 HydrophobicContact CZ-CG 3.78Å; F160-Q164 WeakPolarHBondContact O-CG 3.36Å; F160-Q164 PolarHBondContact O-N 3.03Å; F160-V198 HydrophobicContact CB-CG1 3.82Å; F160-V198 HydrophobicContact CD2-CG1 3.76Å; F160-V198 WeakPolarHBondContact CD2-O 3.23Å; F160-V198 WeakPolarHBondContact CE2-O 3.4Å; F160-V198 HydrophobicContact CG-CG1 3.93Å; F160-F199 HydrophobicContact CB-CE1 4.14Å; F160-F199 HydrophobicContact CD2-CD1 4.5Å; F160-P201 HydrophobicContact CE2-CB 4.4Å; F160-P201 HydrophobicContact CE2-CG 4.23Å
161E98Very high95.6Very high119 Ų11953.3 Ų53.356%0.55630%0.296SS*.Hα-helixtrans-56.4-48.5177.1-175.4178.8-169.100111.9A157 V159 M163 Q164 Q165A157-E161 PolarHBondContact O-N 2.95Å; V159-E161 VanDerWaalsContact C-N 3.35Å; V159-E161 PolarHBondContact O-N 3.03Å; E161-M163 PolarHBondContact O-N 3.31Å; E161-Q164 PolarHBondContact O-N 2.85Å; E161-Q165 WeakPolarHBondContact O-CG 3.19Å; E161-Q165 PolarHBondContact O-N 3.3Å
162R98Very high95.4Very high47 Ų4758.5 Ų58.518%0.17733%0.325CS..Hα-helixtrans-64.9-38.9177.2-73.4-175.5-70.7-94.63.1112.8D103 A104 Q154 G158 V159 F160 Q164 Q165D103-R162 PolarHBondContact O-NE 2.96Å; D103-R162 PolarHBondContact O-NH2 3.42Å; A104-R162 HydrophobicContact CB-CB 4.44Å; A104-R162 WeakPolarHBondContact O-CD 3.38Å; Q154-R162 VanDerWaalsContact OE1-CZ 3.23Å; G158-R162 VanDerWaalsContact O-CZ 3.32Å; G158-R162 PolarHBondContact O-N 3.17Å; V159-R162 PolarHBondContact O-N 3.1Å; F160-R162 PolarHBondContact O-N 3.37Å; R162-Q164 VanDerWaalsContact C-N 3.28Å; R162-Q164 PolarHBondContact O-N 3.03Å; R162-Q165 PolarHBondContact O-N 3.19Å; R162-Q165 VanDerWaalsContact O-N 3.13Å
163M97.7Very high95.4Very high2 Ų257.3 Ų57.31%0.0132%0.318CS..Hα-helixtrans-63.6-32.3176.1-75.3-66.2-66.500112.8A104 V120 V159 F160 E161 Q165 L166 I175 V177 C202A104-M163 HydrophobicContact CB-CG 4.06Å; A104-M163 HydrophobicContact CB-SD 3.93Å; V120-M163 HydrophobicContact CG2-SD 4.22Å; V159-M163 HydrophobicContact CG1-CG 4.07Å; V159-M163 WeakPolarHBondContact O-CB 3.05Å; V159-M163 WeakPolarHBondContact O-CG 3.38Å; V159-M163 PolarHBondContact O-N 3.22Å; F160-M163 PolarHBondContact O-N 3.49Å; E161-M163 PolarHBondContact O-N 3.31Å; M163-Q165 VanDerWaalsContact C-N 3.31Å; M163-L166 HydrophobicContact CE-CD1 4.09Å; M163-L166 HydrophobicContact SD-CD1 3.64Å; M163-I175 HydrophobicContact CE-CB 4.13Å; M163-I175 HydrophobicContact CE-CD1 4.39Å; M163-I175 HydrophobicContact CE-CG2 3.52Å; M163-I175 HydrophobicContact SD-CG2 4.11Å; M163-V177 HydrophobicContact CE-CG2 4Å; M163-C202 HydrophobicContact CB-CB 4.1Å
164Q95.9Very high95.4Very high100 Ų10057.9 Ų57.947%0.46732%0.321SS..Hα-helixtrans-71.2-25.7174.8-68.6-64.5-4300112.8F160 E161 R162 L166F160-Q164 HydrophobicContact CD1-CG 4.15Å; F160-Q164 HydrophobicContact CE1-CG 3.75Å; F160-Q164 HydrophobicContact CE2-CG 4.19Å; F160-Q164 HydrophobicContact CZ-CG 3.78Å; F160-Q164 WeakPolarHBondContact O-CG 3.36Å; F160-Q164 PolarHBondContact O-N 3.03Å; E161-Q164 PolarHBondContact O-N 2.85Å; R162-Q164 VanDerWaalsContact C-N 3.28Å; R162-Q164 PolarHBondContact O-N 3.03Å; Q164-L166 VanDerWaalsContact C-N 3.29Å; Q164-L166 PolarHBondContact O-N 2.93Å
165Q95.8Very high95.4Very high139 Ų13954 Ų5465%0.6530%0.303SS*.THydrogen-bonded Turntrans-81.8-6.5179.7-66.9172.30.100113.4E161 R162 M163E161-Q165 WeakPolarHBondContact O-CG 3.19Å; E161-Q165 PolarHBondContact O-N 3.3Å; R162-Q165 PolarHBondContact O-N 3.19Å; R162-Q165 VanDerWaalsContact O-N 3.13Å; M163-Q165 VanDerWaalsContact C-N 3.31Å
166L96.4Very high95.4Very high29 Ų2954 Ų5415%0.15230%0.302CS..SBendtrans-66141.1179.7-67175.7000111.5T107 D108 M163 Q164 I175T107-L166 HydrophobicContact CG2-CD1 4.09Å; T107-L166 HydrophobicContact CG2-CD2 4.5Å; D108-L166 HydrophobicContact CB-CD2 3.97Å; M163-L166 HydrophobicContact CE-CD1 4.09Å; M163-L166 HydrophobicContact SD-CD1 3.64Å; Q164-L166 VanDerWaalsContact C-N 3.29Å; Q164-L166 PolarHBondContact O-N 2.93Å; L166-I175 HydrophobicContact CD1-CD1 3.36Å
167P93.5Very high95.4Very high56 Ų5653.8 Ų53.836%0.36430%0.301SS..PPolyproline II helixtrans-62147.5179.826.2-33.8000111.2D108 R170D108-P167 VanDerWaalsContact OD1-CG 3.29Å; D108-P167 WeakPolarHBondContact OD1-CG 3.38Å; P167-R170 VanDerWaalsContact O-CG 3.26Å; P167-R170 WeakPolarHBondContact O-CG 3.12Å; P167-R170 PolarHBondContact O-N 3.47Å
168V87.6Confident95.4Very high155 Ų15550 Ų5094%0.93927%0.27SS*.THydrogen-bonded Turntrans-58140.9172.1-178.30000109.5R170V168-R170 PolarHBondContact O-N 2.99Å; V168-R170 VanDerWaalsContact O-N 3.08Å
169G85.3Confident95.4Very high50 Ų5049.2 Ų49.252%0.51526%0.262SS..THydrogen-bonded Turntrans79.5-27.2178.400000115.3N171 D172G169-N171 PolarHBondContact O-N 2.96Å; G169-D172 PolarHBondContact O-N 3.34Å
170R91.4Very high95.4Very high42 Ų4249.2 Ų49.216%0.15826%0.262CS..G310 helixtrans52.731.4169.2-56162.7178.1-178.4-2.9114.2C111 P167 V168 D172 C173 I175 C202 D204C111-R170 WeakPolarHBondContact CB-O 3.49Å; P167-R170 VanDerWaalsContact O-CG 3.26Å; P167-R170 WeakPolarHBondContact O-CG 3.12Å; P167-R170 PolarHBondContact O-N 3.47Å; V168-R170 PolarHBondContact O-N 2.99Å; V168-R170 VanDerWaalsContact O-N 3.08Å; R170-D172 PolarHBondContact O-N 3.15Å; R170-C173 WeakPolarHBondContact CB-O 3.39Å; R170-C173 WeakPolarHBondContact O-CB 3.37Å; R170-C173 PolarHBondContact O-N 2.97Å; R170-I175 HydrophobicContact CG-CD1 4.21Å; R170-C202 VanDerWaalsContact CZ-O 3.29Å; R170-C202 PolarHBondContact NH1-O 3.26Å; R170-C202 PolarHBondContact NH2-O 3.35Å; R170-D204 IonicContact NH1-OD2 3.4Å; R170-D204 PolarHBondContact NH1-OD2 2.7Å
171N89.4Confident95.3Very high80 Ų8047 Ų4743%0.42825%0.252SS..G310 helixtrans53.937.9-174.6-54.9-85.2000113.4K91 K112 G169 C173K91-N171 PolarHBondContact NZ-O 2.98Å; K112-N171 WeakPolarHBondContact CG-ND2 3.09Å; G169-N171 PolarHBondContact O-N 2.96Å; N171-C173 PolarHBondContact O-N 3.39Å; N171-C173 VanDerWaalsContact O-N 3.1Å
172D91.7Very high95.2Very high126 Ų12641.6 Ų41.667%0.67423%0.227SC*.G310 helixtrans55.526.4-175.8-53.3-46.6000113.1K91 G169 R170K91-D172 HydrophobicContact CD-CB 4.48Å; G169-D172 PolarHBondContact O-N 3.34Å; R170-D172 PolarHBondContact O-N 3.15Å
173C96.6Very high95Very high3 Ų344.3 Ų44.32%0.0224%0.24CC..  trans-96.9123174.1-166.40000109.4C111 F115 F117 R170 N171C111-C173 HydrophobicContact CB-CB 3.55Å; C111-C173 VanDerWaalsContact SG-SG 3.7Å; F115-C173 PolarHBondContact O-SG 3.47Å; F117-C173 VanDerWaalsContact CA-SG 3.54Å; R170-C173 WeakPolarHBondContact CB-O 3.39Å; R170-C173 WeakPolarHBondContact O-CB 3.37Å; R170-C173 PolarHBondContact O-N 2.97Å; N171-C173 PolarHBondContact O-N 3.39Å; N171-C173 VanDerWaalsContact O-N 3.1Å
174L97.3Very high94.7Very high21 Ų2149.4 Ų49.411%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-82.6142.2177.7-63.6174.1000110.7R88 F90 G116 F117 V118 D204R88-L174 HydrophobicContact CB-CD1 3.77Å; F90-L174 HydrophobicContact CD1-CD1 3.86Å; F90-L174 HydrophobicContact CD2-CD1 4.02Å; F90-L174 HydrophobicContact CE1-CB 4.29Å; F90-L174 HydrophobicContact CE1-CD1 3.55Å; F90-L174 HydrophobicContact CE1-CG 4.45Å; F90-L174 HydrophobicContact CE2-CD1 3.69Å; F90-L174 HydrophobicContact CG-CD1 4.09Å; F90-L174 HydrophobicContact CZ-CD1 3.44Å; F90-L174 VanDerWaalsContact CZ-CD1 3.44Å; G116-L174 PolarHBondContact O-N 3.19Å; G116-L174 VanDerWaalsContact O-N 3.17Å; F117-L174 CarbonylContact C-O 3.59Å; F117-L174 WeakPolarHBondContact CA-O 3.3Å; F117-L174 HydrophobicContact CB-CB 4.07Å; F117-L174 WeakPolarHBondContact CB-O 3.42Å; V118-L174 PolarHBondContact N-O 3.1Å; L174-D204 HydrophobicContact CB-CB 4.08Å; L174-D204 HydrophobicContact CD2-CB 4.03Å
175I98.1Very high94.6Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-115.9120.8-176.9-53.7171.8000111.6T107 V118 V120 M163 L166 R170 D204 Y205T107-I175 HydrophobicContact CG2-CD1 3.62Å; T107-I175 HydrophobicContact CG2-CG1 4.16Å; T107-I175 HydrophobicContact CG2-CG2 4.17Å; V118-I175 CarbonylContact O-C 3.52Å; V118-I175 VanDerWaalsContact O-CA 3.32Å; V118-I175 WeakPolarHBondContact O-CA 3.4Å; V120-I175 HydrophobicContact CG1-CG2 4.29Å; M163-I175 HydrophobicContact CE-CB 4.13Å; M163-I175 HydrophobicContact CE-CD1 4.39Å; M163-I175 HydrophobicContact CE-CG2 3.52Å; M163-I175 HydrophobicContact SD-CG2 4.11Å; L166-I175 HydrophobicContact CD1-CD1 3.36Å; R170-I175 HydrophobicContact CG-CD1 4.21Å; I175-D204 PolarHBondContact N-OD2 3.01Å; I175-D204 WeakPolarHBondContact O-CA 3.27Å; I175-D204 WeakPolarHBondContact O-CB 3.46Å; I175-D204 PolarHBondContact O-N 3.26Å; I175-Y205 PolarHBondContact O-N 3.15Å
176G98.4Very high94.3Very high0 Ų049.1 Ų49.10%027%0.266CS..EExtended strand (participates in β ladder)trans-91.1142.5169.100000111.7V118 E119 V120 Y205V118-G176 PolarHBondContact O-N 3.39Å; E119-G176 WeakPolarHBondContact CA-O 3.28Å; V120-G176 WeakPolarHBondContact CG2-O 3.29Å; V120-G176 PolarHBondContact N-O 2.92Å; G176-Y205 VanDerWaalsContact CA-CE2 3.44Å; G176-Y205 WeakPolarHBondContact CA-O 3.21Å
177V98.7Very high94.3Very high0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-110.1116.6167.4-177.90000109.7V120 V123 M163 V179 F199 A203 Y205 V207V120-V177 HydrophobicContact CG2-CB 4.28Å; V120-V177 HydrophobicContact CG2-CG1 4.3Å; V120-V177 HydrophobicContact CG2-CG2 3.81Å; V123-V177 HydrophobicContact CG2-CG1 4.34Å; M163-V177 HydrophobicContact CE-CG2 4Å; V177-V179 HydrophobicContact CG1-CG2 4.24Å; V177-F199 HydrophobicContact CB-CB 4.15Å; V177-F199 HydrophobicContact CB-CD1 4.44Å; V177-F199 HydrophobicContact CB-CD2 4.34Å; V177-F199 HydrophobicContact CB-CG 4.08Å; V177-F199 HydrophobicContact CG1-CB 4.24Å; V177-F199 HydrophobicContact CG1-CD1 3.94Å; V177-F199 HydrophobicContact CG1-CD2 3.52Å; V177-F199 HydrophobicContact CG1-CE1 4.12Å; V177-F199 HydrophobicContact CG1-CE2 3.71Å; V177-F199 HydrophobicContact CG1-CG 3.64Å; V177-F199 HydrophobicContact CG1-CZ 4Å; V177-F199 HydrophobicContact CG2-CB 4.17Å; V177-F199 HydrophobicContact CG2-CD1 4.07Å; V177-F199 HydrophobicContact CG2-CG 4.13Å; V177-A203 HydrophobicContact CB-CB 4.28Å; V177-A203 HydrophobicContact CG2-CB 3.71Å; V177-Y205 PolarHBondContact N-O 2.9Å; V177-V207 PolarHBondContact O-N 2.85Å
178N98.8Very high94.2Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-86.5118.9174.4-171.3-51.8000110.7A98 E119 V120 S122 V123 V207 N209A98-N178 HydrophobicContact CB-CB 3.78Å; E119-N178 HydrophobicContact CG-CB 3.91Å; E119-N178 WeakPolarHBondContact OE1-CB 3.42Å; E119-N178 PolarHBondContact OE1-ND2 3.31Å; V120-N178 VanDerWaalsContact O-CB 3.27Å; V120-N178 WeakPolarHBondContact O-CB 3.26Å; V120-N178 PolarHBondContact O-N 3.41Å; S122-N178 CarbonylContact C-O 3.6Å; S122-N178 VanDerWaalsContact CA-O 3.27Å; S122-N178 WeakPolarHBondContact CA-O 3.38Å; S122-N178 WeakPolarHBondContact CB-OD1 3.21Å; S122-N178 PolarHBondContact OG-OD1 3.05Å; V123-N178 PolarHBondContact N-O 2.71Å; N178-V207 HydrophobicContact CB-CB 4.19Å; N178-N209 WeakPolarHBondContact OD1-CB 3.24Å; N178-N209 PolarHBondContact OD1-ND2 3.24Å
179V98.5Very high94.6Very high0 Ų046.3 Ų46.30%024%0.24CC..EExtended strand (participates in β ladder)trans-107.5134.4-176.6-179.70000109.5F156 V177 Y192 F199 I206 V207 N209F156-V179 HydrophobicContact CE1-CG1 3.91Å; F156-V179 HydrophobicContact CZ-CG1 3.54Å; V177-V179 HydrophobicContact CG1-CG2 4.24Å; V179-Y192 HydrophobicContact CB-CD1 4.45Å; V179-Y192 HydrophobicContact CG1-CD1 3.97Å; V179-Y192 WeakPolarHBondContact O-CE1 3.5Å; V179-F199 HydrophobicContact CG2-CD2 4.01Å; V179-F199 HydrophobicContact CG2-CE2 4.27Å; V179-I206 HydrophobicContact CG2-CG2 4.1Å; V179-V207 PolarHBondContact N-O 3.04Å; V179-N209 PolarHBondContact O-N 3.26Å
180G97.4Very high95.2Very high0 Ų046.8 Ų46.80%024%0.236CC..  trans-125.8167.7171.100000111.8V123 P125V123-G180 PolarHBondContact O-N 3.18Å; P125-G180 WeakPolarHBondContact CD-O 3.04Å
181K96.7Very high95.5Very high18 Ų1845.7 Ų45.78%0.07823%0.233CC..  trans-82.4153172.674.6178.8-167.274.30111.6T124 F188 D191 Y192 L218 L221T124-K181 WeakPolarHBondContact CG2-O 3.33Å; K181-F188 HydrophobicContact CB-CB 4.36Å; K181-F188 HydrophobicContact CD-CB 3.92Å; K181-D191 VanDerWaalsContact CA-OD2 3.3Å; K181-D191 WeakPolarHBondContact CA-OD2 3.5Å; K181-D191 HydrophobicContact CB-CB 4.17Å; K181-D191 VanDerWaalsContact CB-OD2 3.31Å; K181-D191 WeakPolarHBondContact CB-OD2 3.38Å; K181-Y192 HydrophobicContact CB-CE2 4.39Å; K181-L218 HydrophobicContact CD-CD1 3.78Å; K181-L218 HydrophobicContact CG-CD1 3.88Å; K181-L221 HydrophobicContact CD-CD1 4.44Å
182N96.5Very high95.9Very high6 Ų641.9 Ų41.93%0.03221%0.213CC..  trans-65.6150.4166.7-80.8111.6000110.9T124 P125 K126 Q128 D184 S185 D191T124-N182 WeakPolarHBondContact CB-ND2 3.41Å; T124-N182 PolarHBondContact OG1-ND2 3.07Å; P125-N182 WeakPolarHBondContact CB-OD1 3.41Å; P125-N182 WeakPolarHBondContact CD-OD1 3.29Å; K126-N182 PolarHBondContact N-OD1 3.05Å; K126-N182 PolarHBondContact O-ND2 2.95Å; Q128-N182 VanDerWaalsContact OE1-CA 3.3Å; Q128-N182 PolarHBondContact OE1-ND2 3.31Å; N182-D184 VanDerWaalsContact C-N 3.31Å; N182-D184 WeakPolarHBondContact CB-OD1 3.36Å; N182-D184 PolarHBondContact O-N 3.11Å; N182-S185 VanDerWaalsContact O-CB 3.31Å; N182-S185 WeakPolarHBondContact O-CB 3.37Å; N182-S185 PolarHBondContact O-N 3.24Å; N182-D191 PolarHBondContact N-OD2 3.47Å
183K93.3Very high96.1Very high104 Ų10436.7 Ų36.745%0.45219%0.187SC..THydrogen-bonded Turntrans-59.1-42.5-176.7-174.8172.2-179.2171.40112.1N131N131-K183 PolarHBondContact OD1-NZ 2.81Å
184D91.7Very high96.1Very high109 Ų10940.2 Ų40.258%0.58321%0.205SC*.THydrogen-bonded Turntrans-86.9-2.2-178.664.9-31.6000114.2N182 K186N182-D184 VanDerWaalsContact C-N 3.31Å; N182-D184 WeakPolarHBondContact CB-OD1 3.36Å; N182-D184 PolarHBondContact O-N 3.11Å; D184-K186 PolarHBondContact O-N 3.38Å
185S92.8Very high96.1Very high28 Ų2839.2 Ų39.220%0.19620%0.199CC..  trans-57.5126.5-174.7-175.90000112.5N182 N187 D191N182-S185 VanDerWaalsContact O-CB 3.31Å; N182-S185 WeakPolarHBondContact O-CB 3.37Å; N182-S185 PolarHBondContact O-N 3.24Å; S185-N187 PolarHBondContact OG-N 2.94Å; S185-N187 PolarHBondContact OG-O 2.88Å; S185-D191 WeakPolarHBondContact CB-OD2 3.2Å; S185-D191 VanDerWaalsContact OG-CG 3.23Å; S185-D191 PolarHBondContact OG-OD1 3.42Å; S185-D191 PolarHBondContact OG-OD2 3.32Å
186K90.8Very high96Very high204 Ų20439.3 Ų39.389%0.88720%0.2SC*.SBendtrans-89.5-15.1173-55.6-55.8-179.5-176.70112.6D184D184-K186 PolarHBondContact O-N 3.38Å
187N94.5Very high95.8Very high89 Ų8943.8 Ų43.848%0.47622%0.224SC..  trans-133.979.6-179.3-172.9-9.8000109.9S185 I189 S190 D191S185-N187 PolarHBondContact OG-N 2.94Å; S185-N187 PolarHBondContact OG-O 2.88Å; N187-I189 PolarHBondContact O-N 3.18Å; N187-I189 PolarHBondContact OD1-N 3.38Å; N187-S190 WeakPolarHBondContact O-CB 3.47Å; N187-S190 PolarHBondContact O-N 3.07Å; N187-S190 PolarHBondContact OD1-N 3.4Å; N187-S190 VanDerWaalsContact OD1-N 3.12Å; N187-D191 PolarHBondContact O-N 3.33Å
188F92.7Very high95.7Very high46 Ų4645.4 Ų45.420%0.20223%0.234CC..Hα-helixtrans-59.1-30.2179.464.7-91.7000112.6K181 S190 D191 Y192 L221 L230K181-F188 HydrophobicContact CB-CB 4.36Å; K181-F188 HydrophobicContact CD-CB 3.92Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.01Å; F188-D191 PolarHBondContact O-N 3.18Å; F188-Y192 HydrophobicContact CB-CE2 4.35Å; F188-Y192 HydrophobicContact CD2-CD2 4.5Å; F188-Y192 HydrophobicContact CD2-CE2 4.43Å; F188-Y192 WeakPolarHBondContact O-CD2 3.28Å; F188-Y192 PolarHBondContact O-N 2.84Å; F188-L221 HydrophobicContact CB-CD1 4.24Å; F188-L221 HydrophobicContact CD1-CD2 4.02Å; F188-L221 HydrophobicContact CD2-CD1 3.79Å; F188-L221 HydrophobicContact CD2-CD2 3.89Å; F188-L221 HydrophobicContact CE1-CD2 3.87Å; F188-L221 HydrophobicContact CE2-CD1 4.35Å; F188-L221 HydrophobicContact CE2-CD2 3.73Å; F188-L221 HydrophobicContact CG-CD1 4.01Å; F188-L221 HydrophobicContact CG-CD2 4.04Å; F188-L221 HydrophobicContact CZ-CD2 3.72Å; F188-L230 HydrophobicContact CD2-CD1 4.26Å; F188-L230 HydrophobicContact CE2-CB 4.19Å; F188-L230 HydrophobicContact CE2-CD1 4.38Å
189I96.3Very high95.6Very high46 Ų4645.4 Ų45.424%0.23623%0.234CC..Hα-helixtrans-62.1-43.2176.6-64.6178.6000110.3N187 D191 Y192 S193 L230 A233N187-I189 PolarHBondContact O-N 3.18Å; N187-I189 PolarHBondContact OD1-N 3.38Å; I189-D191 VanDerWaalsContact C-N 3.32Å; I189-D191 PolarHBondContact O-N 2.87Å; I189-Y192 PolarHBondContact O-N 2.75Å; I189-S193 VanDerWaalsContact O-CB 3.24Å; I189-S193 WeakPolarHBondContact O-CB 3.44Å; I189-S193 PolarHBondContact O-N 3.48Å; I189-S193 PolarHBondContact O-OG 3.33Å; I189-L230 HydrophobicContact CG1-CD1 4.26Å; I189-A233 HydrophobicContact CD1-CB 4.42Å; I189-A233 HydrophobicContact CG2-CB 3.34Å
190S97Very high95.4Very high61 Ų6145.6 Ų45.643%0.42724%0.235SC..Hα-helixtrans-60.9-41.2176.8-170.60000112N187 F188 S193 L194N187-S190 WeakPolarHBondContact O-CB 3.47Å; N187-S190 PolarHBondContact O-N 3.07Å; N187-S190 PolarHBondContact OD1-N 3.4Å; N187-S190 VanDerWaalsContact OD1-N 3.12Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.01Å; S190-S193 PolarHBondContact O-N 2.65Å; S190-L194 VanDerWaalsContact O-CB 3.27Å; S190-L194 WeakPolarHBondContact O-CB 3.34Å; S190-L194 PolarHBondContact O-N 3.22Å
191D97.5Very high95.1Very high18 Ų1848.3 Ų48.310%0.09625%0.253CS..Hα-helixtrans-61.4-48.6-178.8-67.35.2000111.6P125 K181 N182 S185 N187 F188 I189 G195P125-D191 HydrophobicContact CG-CB 3.55Å; K181-D191 VanDerWaalsContact CA-OD2 3.3Å; K181-D191 WeakPolarHBondContact CA-OD2 3.5Å; K181-D191 HydrophobicContact CB-CB 4.17Å; K181-D191 VanDerWaalsContact CB-OD2 3.31Å; K181-D191 WeakPolarHBondContact CB-OD2 3.38Å; N182-D191 PolarHBondContact N-OD2 3.47Å; S185-D191 WeakPolarHBondContact CB-OD2 3.2Å; S185-D191 VanDerWaalsContact OG-CG 3.23Å; S185-D191 PolarHBondContact OG-OD1 3.42Å; S185-D191 PolarHBondContact OG-OD2 3.32Å; N187-D191 PolarHBondContact O-N 3.33Å; F188-D191 PolarHBondContact O-N 3.18Å; I189-D191 VanDerWaalsContact C-N 3.32Å; I189-D191 PolarHBondContact O-N 2.87Å; D191-G195 PolarHBondContact O-N 3.47Å; D191-G195 VanDerWaalsContact O-N 3.14Å
192Y98.1Very high95Very high0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-69.3-43.8178.5-66.7-69.3000111.8V179 K181 F188 I189 L194 G195 L196 V208 N209 V210 L218 L221 L230V179-Y192 HydrophobicContact CB-CD1 4.45Å; V179-Y192 HydrophobicContact CG1-CD1 3.97Å; V179-Y192 WeakPolarHBondContact O-CE1 3.5Å; K181-Y192 HydrophobicContact CB-CE2 4.39Å; F188-Y192 HydrophobicContact CB-CE2 4.35Å; F188-Y192 HydrophobicContact CD2-CD2 4.5Å; F188-Y192 HydrophobicContact CD2-CE2 4.43Å; F188-Y192 WeakPolarHBondContact O-CD2 3.28Å; F188-Y192 PolarHBondContact O-N 2.84Å; I189-Y192 PolarHBondContact O-N 2.75Å; Y192-L194 VanDerWaalsContact C-N 3.3Å; Y192-L194 PolarHBondContact O-N 2.79Å; Y192-G195 PolarHBondContact O-N 2.87Å; Y192-G195 VanDerWaalsContact O-N 3.09Å; Y192-L196 WeakPolarHBondContact O-CD1 3.39Å; Y192-L196 PolarHBondContact O-N 3.38Å; Y192-V208 HydrophobicContact CD1-CB 4.41Å; Y192-V208 HydrophobicContact CD1-CG1 3.78Å; Y192-V208 HydrophobicContact CD1-CG2 4.36Å; Y192-V208 HydrophobicContact CE1-CG1 3.81Å; Y192-V208 HydrophobicContact CG-CG1 4.24Å; Y192-N209 PolarHBondContact OH-O 3.47Å; Y192-V210 HydrophobicContact CE2-CG1 4.47Å; Y192-L218 WeakPolarHBondContact OH-CD1 3.39Å; Y192-L221 HydrophobicContact CE2-CD1 4.11Å; Y192-L230 HydrophobicContact CD2-CD1 3.57Å; Y192-L230 HydrophobicContact CD2-CD2 3.93Å; Y192-L230 HydrophobicContact CD2-CG 4.41Å; Y192-L230 HydrophobicContact CE2-CD1 4.4Å; Y192-L230 HydrophobicContact CE2-CD2 4.03Å; Y192-L230 HydrophobicContact CG-CD1 4.11Å
193S96.8Very high95Very high18 Ų1847.5 Ų47.513%0.12625%0.25CS..Hα-helixtrans-57.3-43177.2-70.20000112.2I189 S190 L196 D197I189-S193 VanDerWaalsContact O-CB 3.24Å; I189-S193 WeakPolarHBondContact O-CB 3.44Å; I189-S193 PolarHBondContact O-N 3.48Å; I189-S193 PolarHBondContact O-OG 3.33Å; S190-S193 PolarHBondContact O-N 2.65Å; S193-L196 WeakPolarHBondContact O-CB 3.42Å; S193-L196 PolarHBondContact O-N 3.39Å; S193-D197 PolarHBondContact O-N 2.97Å
194L96.6Very high95.1Very high76 Ų7643.6 Ų43.640%0.39823%0.234SC..Hα-helixtrans-64.4-40.5175.6-179.563.5000111.5P125 F156 S190 Y192 L196 D197 V198P125-L194 HydrophobicContact CB-CD2 4.24Å; F156-L194 HydrophobicContact CD2-CD2 4.05Å; F156-L194 HydrophobicContact CD2-CG 3.96Å; F156-L194 HydrophobicContact CE2-CB 4.15Å; F156-L194 HydrophobicContact CE2-CD2 4.18Å; F156-L194 HydrophobicContact CE2-CG 4.01Å; S190-L194 VanDerWaalsContact O-CB 3.27Å; S190-L194 WeakPolarHBondContact O-CB 3.34Å; S190-L194 PolarHBondContact O-N 3.22Å; Y192-L194 VanDerWaalsContact C-N 3.3Å; Y192-L194 PolarHBondContact O-N 2.79Å; L194-L196 VanDerWaalsContact C-N 3.28Å; L194-L196 PolarHBondContact O-N 3Å; L194-D197 PolarHBondContact O-N 2.77Å; L194-V198 HydrophobicContact CD1-CG2 3.91Å; L194-V198 HydrophobicContact CG-CG2 4.13Å; L194-V198 WeakPolarHBondContact O-CB 3.48Å; L194-V198 VanDerWaalsContact O-CG2 3.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.27Å; L194-V198 PolarHBondContact O-N 2.5Å
195G97.1Very high95.4Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-61.3-37.8176.100000112.6F156 D191 Y192 F199F156-G195 VanDerWaalsContact CE2-CA 3.44Å; F156-G195 VanDerWaalsContact CE2-N 3.33Å; D191-G195 PolarHBondContact O-N 3.47Å; D191-G195 VanDerWaalsContact O-N 3.14Å; Y192-G195 PolarHBondContact O-N 2.87Å; Y192-G195 VanDerWaalsContact O-N 3.09Å; G195-F199 WeakPolarHBondContact O-CB 3.45Å; G195-F199 VanDerWaalsContact O-CD2 3.26Å; G195-F199 WeakPolarHBondContact O-CD2 3.31Å; G195-F199 PolarHBondContact O-N 3.11Å
196L95.9Very high95.7Very high3 Ų337.4 Ų37.42%0.01620%0.198CC..Hα-helixtrans-61.3-47.4173.9-91.567.5000111.4Y192 S193 L194 S200 I206 V208 L234 V237 R238 L249Y192-L196 WeakPolarHBondContact O-CD1 3.39Å; Y192-L196 PolarHBondContact O-N 3.38Å; S193-L196 WeakPolarHBondContact O-CB 3.42Å; S193-L196 PolarHBondContact O-N 3.39Å; L194-L196 VanDerWaalsContact C-N 3.28Å; L194-L196 PolarHBondContact O-N 3Å; L196-S200 WeakPolarHBondContact O-CB 3.28Å; L196-S200 PolarHBondContact O-N 3.1Å; L196-S200 VanDerWaalsContact O-N 3.07Å; L196-S200 PolarHBondContact O-OG 2.83Å; L196-I206 HydrophobicContact CD1-CG2 3.94Å; L196-I206 HydrophobicContact CG-CD1 4.32Å; L196-I206 HydrophobicContact CG-CG2 4.42Å; L196-V208 HydrophobicContact CD1-CG2 4.4Å; L196-L234 HydrophobicContact CD1-CD2 4.05Å; L196-L234 HydrophobicContact CD2-CB 4.2Å; L196-L234 HydrophobicContact CD2-CD2 4.02Å; L196-V237 HydrophobicContact CB-CG1 4.36Å; L196-R238 HydrophobicContact CD2-CG 3.74Å; L196-L249 HydrophobicContact CD1-CD1 3.91Å; L196-L249 HydrophobicContact CD2-CD1 4.12Å; L196-L249 HydrophobicContact CG-CD1 4.21Å
197D93.8Very high96.1Very high94 Ų9427.7 Ų27.750%0.50316%0.156SC..Hα-helixtrans-64.4-47.8-179.8-171.642.2000111.9S193 L194 P201S193-D197 PolarHBondContact O-N 2.97Å; L194-D197 PolarHBondContact O-N 2.77Å; D197-P201 WeakPolarHBondContact O-CD 3.46Å
198V95.9Very high96.2Very high33 Ų3323.5 Ų23.520%0.213%0.134CC..Hα-helixtrans-65.3-43.9-177.5172.80000112.3F156 F160 L194 P201F156-V198 HydrophobicContact CB-CG1 4.23Å; F156-V198 HydrophobicContact CD2-CG2 4.37Å; F160-V198 HydrophobicContact CB-CG1 3.82Å; F160-V198 HydrophobicContact CD2-CG1 3.76Å; F160-V198 WeakPolarHBondContact CD2-O 3.23Å; F160-V198 WeakPolarHBondContact CE2-O 3.4Å; F160-V198 HydrophobicContact CG-CG1 3.93Å; L194-V198 HydrophobicContact CD1-CG2 3.91Å; L194-V198 HydrophobicContact CG-CG2 4.13Å; L194-V198 WeakPolarHBondContact O-CB 3.48Å; L194-V198 VanDerWaalsContact O-CG2 3.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.27Å; L194-V198 PolarHBondContact O-N 2.5Å; V198-P201 WeakPolarHBondContact O-CD 3.41Å
199F96.7Very high96.5Very high0 Ų021.5 Ų21.50%013%0.125CC..Hα-helixtrans-97.2-15.1-170.8-64.1-63.1000114.8V123 F156 V159 F160 V177 V179 G195 P201 C202 A203 I206V123-F199 HydrophobicContact CB-CZ 4.45Å; V123-F199 HydrophobicContact CG1-CZ 4.36Å; F156-F199 HydrophobicContact CB-CE2 4.29Å; F156-F199 HydrophobicContact CB-CZ 4.1Å; F156-F199 AromaticContact CD1-CE2 3.43Å; F156-F199 HydrophobicContact CD1-CE2 3.43Å; F156-F199 VanDerWaalsContact CD1-CE2 3.43Å; F156-F199 AromaticContact CD1-CZ 3.79Å; F156-F199 HydrophobicContact CD1-CZ 3.79Å; F156-F199 HydrophobicContact CD2-CE2 4.48Å; F156-F199 AromaticContact CE1-CE2 3.82Å; F156-F199 HydrophobicContact CE1-CE2 3.82Å; F156-F199 AromaticContact CG-CE2 3.82Å; F156-F199 HydrophobicContact CG-CE2 3.82Å; F156-F199 HydrophobicContact CG-CZ 4.1Å; V159-F199 HydrophobicContact CB-CE1 4.16Å; V159-F199 HydrophobicContact CB-CZ 4.16Å; V159-F199 HydrophobicContact CG1-CE1 3.93Å; V159-F199 HydrophobicContact CG1-CZ 4.18Å; F160-F199 HydrophobicContact CB-CE1 4.14Å; F160-F199 HydrophobicContact CD2-CD1 4.5Å; V177-F199 HydrophobicContact CB-CB 4.15Å; V177-F199 HydrophobicContact CB-CD1 4.44Å; V177-F199 HydrophobicContact CB-CD2 4.34Å; V177-F199 HydrophobicContact CB-CG 4.08Å; V177-F199 HydrophobicContact CG1-CB 4.24Å; V177-F199 HydrophobicContact CG1-CD1 3.94Å; V177-F199 HydrophobicContact CG1-CD2 3.52Å; V177-F199 HydrophobicContact CG1-CE1 4.12Å; V177-F199 HydrophobicContact CG1-CE2 3.71Å; V177-F199 HydrophobicContact CG1-CG 3.64Å; V177-F199 HydrophobicContact CG1-CZ 4Å; V177-F199 HydrophobicContact CG2-CB 4.17Å; V177-F199 HydrophobicContact CG2-CD1 4.07Å; V177-F199 HydrophobicContact CG2-CG 4.13Å; V179-F199 HydrophobicContact CG2-CD2 4.01Å; V179-F199 HydrophobicContact CG2-CE2 4.27Å; G195-F199 WeakPolarHBondContact O-CB 3.45Å; G195-F199 VanDerWaalsContact O-CD2 3.26Å; G195-F199 WeakPolarHBondContact O-CD2 3.31Å; G195-F199 PolarHBondContact O-N 3.11Å; F199-P201 VanDerWaalsContact C-N 3.25Å; F199-P201 VanDerWaalsContact O-N 3.15Å; F199-C202 PolarHBondContact O-N 2.73Å; F199-C202 VanDerWaalsContact O-N 3.07Å; F199-A203 HydrophobicContact CB-CB 4.33Å; F199-A203 VanDerWaalsContact O-CB 3.25Å; F199-A203 WeakPolarHBondContact O-CB 3.34Å; F199-A203 PolarHBondContact O-N 3.02Å; F199-I206 HydrophobicContact CB-CD1 4.36Å
200S94.2Very high96.6Very high5 Ų519.3 Ų19.34%0.03511%0.114CC..THydrogen-bonded Turntrans-51.9-32.6173.2-72.40000115.2L196 I206 K247L196-S200 WeakPolarHBondContact O-CB 3.28Å; L196-S200 PolarHBondContact O-N 3.1Å; L196-S200 VanDerWaalsContact O-N 3.07Å; L196-S200 PolarHBondContact O-OG 2.83Å; S200-I206 WeakPolarHBondContact OG-CD1 3.43Å; S200-K247 WeakPolarHBondContact O-CE 3.26Å
201P92.5Very high96.6Very high56 Ų5616.4 Ų16.436%0.3649%0.094SC..THydrogen-bonded Turntrans-67.5-33.2175.9-17.329.8000114.3F160 D197 V198 F199F160-P201 HydrophobicContact CE2-CB 4.4Å; F160-P201 HydrophobicContact CE2-CG 4.23Å; D197-P201 WeakPolarHBondContact O-CD 3.46Å; V198-P201 WeakPolarHBondContact O-CD 3.41Å; F199-P201 VanDerWaalsContact C-N 3.25Å; F199-P201 VanDerWaalsContact O-N 3.15Å
202C93.6Very high96.6Very high7 Ų715.9 Ų15.95%0.0479%0.092CC..THydrogen-bonded Turntrans-116.6-19-170.255.20000114.9M163 R170 F199M163-C202 HydrophobicContact CB-CB 4.1Å; R170-C202 VanDerWaalsContact CZ-O 3.29Å; R170-C202 PolarHBondContact NH1-O 3.26Å; R170-C202 PolarHBondContact NH2-O 3.35Å; F199-C202 PolarHBondContact O-N 2.73Å; F199-C202 VanDerWaalsContact O-N 3.07Å
203A96.2Very high96.4Very high1 Ų117.5 Ų17.51%0.00810%0.102CC..  trans-84.4152.3178.500000112.3V177 F199 I206 K247V177-A203 HydrophobicContact CB-CB 4.28Å; V177-A203 HydrophobicContact CG2-CB 3.71Å; F199-A203 HydrophobicContact CB-CB 4.33Å; F199-A203 VanDerWaalsContact O-CB 3.25Å; F199-A203 WeakPolarHBondContact O-CB 3.34Å; F199-A203 PolarHBondContact O-N 3.02Å; A203-I206 HydrophobicContact CB-CG1 4.22Å; A203-K247 VanDerWaalsContact O-CD 3.29Å; A203-K247 WeakPolarHBondContact O-CD 3.46Å; A203-K247 WeakPolarHBondContact O-CE 3.41Å
204D96.5Very high96.3Very high22 Ų2217.5 Ų17.512%0.11810%0.1CC..SBendtrans-86-30.9168.6-70.5-65.8000112.1R88 R170 L174 I175 P248R88-D204 IonicContact CZ-OD1 3.95Å; R88-D204 PolarHBondContact NE-O 2.88Å; R88-D204 VanDerWaalsContact NE-O 3.09Å; R88-D204 IonicContact NH1-OD1 2.79Å; R88-D204 PolarHBondContact NH1-OD1 3.46Å; R88-D204 PolarHBondContact NH2-O 3.1Å; R88-D204 IonicContact NH2-OD1 3.27Å; R170-D204 IonicContact NH1-OD2 3.4Å; R170-D204 PolarHBondContact NH1-OD2 2.7Å; L174-D204 HydrophobicContact CB-CB 4.08Å; L174-D204 HydrophobicContact CD2-CB 4.03Å; I175-D204 PolarHBondContact N-OD2 3.01Å; I175-D204 WeakPolarHBondContact O-CA 3.27Å; I175-D204 WeakPolarHBondContact O-CB 3.46Å; I175-D204 PolarHBondContact O-N 3.26Å; D204-P248 VanDerWaalsContact O-CD 3.25Å; D204-P248 WeakPolarHBondContact O-CD 3.39Å
205Y98.1Very high96Very high2 Ų214.1 Ų14.11%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-150.7159.3169.763-83.5000110.2F117 I175 G176 V177 V207 P248 L250F117-Y205 HydrophobicContact CD2-CE1 4.44Å; F117-Y205 WeakPolarHBondContact CD2-OH 3.26Å; I175-Y205 PolarHBondContact O-N 3.15Å; G176-Y205 VanDerWaalsContact CA-CE2 3.44Å; G176-Y205 WeakPolarHBondContact CA-O 3.21Å; V177-Y205 PolarHBondContact N-O 2.9Å; Y205-V207 HydrophobicContact CD2-CG2 3.71Å; Y205-V207 HydrophobicContact CE2-CG2 3.55Å; Y205-P248 WeakPolarHBondContact CA-O 3.38Å; Y205-L250 HydrophobicContact CD2-CD1 4.27Å; Y205-L250 HydrophobicContact CD2-CD2 3.87Å; Y205-L250 HydrophobicContact CE2-CD2 4.15Å
206I98.3Very high95.5Very high4 Ų419.5 Ų19.52%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-120133.8-179-56.8-178.4000108.5V179 L196 F199 S200 A203 K247 P248 L249 L250V179-I206 HydrophobicContact CG2-CG2 4.1Å; L196-I206 HydrophobicContact CD1-CG2 3.94Å; L196-I206 HydrophobicContact CG-CD1 4.32Å; L196-I206 HydrophobicContact CG-CG2 4.42Å; F199-I206 HydrophobicContact CB-CD1 4.36Å; S200-I206 WeakPolarHBondContact OG-CD1 3.43Å; A203-I206 HydrophobicContact CB-CG1 4.22Å; I206-K247 HydrophobicContact CG1-CB 4.39Å; I206-P248 PolarHBondContact N-O 3.18Å; I206-L249 HydrophobicContact CB-CD1 4.41Å; I206-L249 HydrophobicContact CG2-CD1 4.4Å; I206-L249 CarbonylContact O-C 3.53Å; I206-L249 WeakPolarHBondContact O-CA 3.25Å; I206-L250 PolarHBondContact O-N 3.19Å
207V98.8Very high95.2Very high0 Ų021.3 Ų21.30%014%0.136CC..EExtended strand (participates in β ladder)trans-111.2125.7-179.9178.40000109.8E119 V177 N178 V179 Y205 L250 K252 I280E119-V207 HydrophobicContact CG-CG2 4.42Å; V177-V207 PolarHBondContact O-N 2.85Å; N178-V207 HydrophobicContact CB-CB 4.19Å; V179-V207 PolarHBondContact N-O 3.04Å; Y205-V207 HydrophobicContact CD2-CG2 3.71Å; Y205-V207 HydrophobicContact CE2-CG2 3.55Å; V207-L250 CarbonylContact C-O 3.59Å; V207-L250 WeakPolarHBondContact CA-O 3.29Å; V207-L250 HydrophobicContact CG2-CB 4.09Å; V207-K252 HydrophobicContact CG1-CB 3.74Å; V207-K252 HydrophobicContact CG1-CD 4.39Å; V207-I280 HydrophobicContact CB-CD1 4.05Å; V207-I280 HydrophobicContact CG1-CD1 3.46Å; V207-I280 VanDerWaalsContact CG1-CD1 3.46Å; V207-I280 HydrophobicContact CG2-CD1 3.39Å
208V98.4Very high95.3Very high1 Ų116.9 Ų16.91%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-92.6108.5171.4172.80000107.9Y192 L196 V210 L230 L234 L249 L250 L251 K252Y192-V208 HydrophobicContact CD1-CB 4.41Å; Y192-V208 HydrophobicContact CD1-CG1 3.78Å; Y192-V208 HydrophobicContact CD1-CG2 4.36Å; Y192-V208 HydrophobicContact CE1-CG1 3.81Å; Y192-V208 HydrophobicContact CG-CG1 4.24Å; L196-V208 HydrophobicContact CD1-CG2 4.4Å; V208-V210 HydrophobicContact CG1-CG1 4Å; V208-L230 HydrophobicContact CG1-CD2 3.91Å; V208-L234 HydrophobicContact CG1-CD1 4.28Å; V208-L234 HydrophobicContact CG2-CD1 3.53Å; V208-L249 HydrophobicContact CG2-CD1 3.63Å; V208-L249 HydrophobicContact CG2-CG 4.4Å; V208-L250 PolarHBondContact N-O 3.02Å; V208-L251 HydrophobicContact CB-CD1 4.38Å; V208-L251 HydrophobicContact CG1-CD1 4.14Å; V208-K252 PolarHBondContact O-N 2.94Å
209N98.5Very high95.3Very high5 Ų517.7 Ų17.73%0.02711%0.111CC..EExtended strand (participates in β ladder)trans-96.3106-179.6-174.4-3.9000111.4S122 F151 N178 V179 Y192 S211 S212 N283S122-N209 PolarHBondContact OG-ND2 3.13Å; F151-N209 HydrophobicContact CZ-CB 4.37Å; N178-N209 WeakPolarHBondContact OD1-CB 3.24Å; N178-N209 PolarHBondContact OD1-ND2 3.24Å; V179-N209 PolarHBondContact O-N 3.26Å; Y192-N209 PolarHBondContact OH-O 3.47Å; N209-S211 PolarHBondContact OD1-N 2.86Å; N209-S211 VanDerWaalsContact OD1-N 3.12Å; N209-S211 PolarHBondContact OD1-OG 2.77Å; N209-S212 PolarHBondContact OD1-N 3.36Å; N209-N283 PolarHBondContact OD1-ND2 3.31Å
210V98.1Very high95.2Very high0 Ų020.8 Ų20.80%013%0.128CC..  trans-111.211.6176.8-670000112.4Y192 V208 L221 Q222 L230 L251Y192-V210 HydrophobicContact CE2-CG1 4.47Å; V208-V210 HydrophobicContact CG1-CG1 4Å; V210-L221 HydrophobicContact CB-CB 4.1Å; V210-L221 HydrophobicContact CG1-CB 4.02Å; V210-L221 HydrophobicContact CG1-CD1 4.22Å; V210-Q222 HydrophobicContact CB-CG 4.21Å; V210-Q222 HydrophobicContact CG2-CG 3.68Å; V210-Q222 WeakPolarHBondContact O-CG 3.45Å; V210-L230 HydrophobicContact CG1-CD2 3.78Å; V210-L251 HydrophobicContact CG2-CD1 3.65Å; V210-L251 HydrophobicContact CG2-CG 4.49Å
211S97.8Very high95.3Very high0 Ų021.1 Ų21.10%013%0.129CC..  trans-121.6-1.6-164.4510000115.4N209 R219 K252 N283N209-S211 PolarHBondContact OD1-N 2.86Å; N209-S211 VanDerWaalsContact OD1-N 3.12Å; N209-S211 PolarHBondContact OD1-OG 2.77Å; S211-R219 PolarHBondContact O-NE 3.19Å; S211-R219 PolarHBondContact O-NH2 3.22Å; S211-K252 VanDerWaalsContact CB-O 3.26Å; S211-K252 WeakPolarHBondContact CB-O 3.49Å; S211-K252 VanDerWaalsContact OG-C 3.24Å; S211-K252 PolarHBondContact OG-O 2.91Å; S211-N283 WeakPolarHBondContact OG-CB 3.42Å; S211-N283 PolarHBondContact OG-ND2 2.86Å
212S95.9Very high95.6Very high7 Ų718.8 Ų18.85%0.04911%0.113CC..  trans-60.7126.2173.91730000110.5N209 N214 N283N209-S212 PolarHBondContact OD1-N 3.36Å; S212-N214 PolarHBondContact O-N 2.84Å; S212-N214 PolarHBondContact OG-N 2.8Å; S212-N283 PolarHBondContact N-ND2 2.81Å
213P94.8Very high95.7Very high34 Ų3425 Ų2522%0.22114%0.136CC..THydrogen-bonded Turntrans-72.4-14.5174.124.8-26000113T286P213-T286 HydrophobicContact CB-CG2 3.44Å; P213-T286 VanDerWaalsContact CB-CG2 3.44Å; P213-T286 HydrophobicContact CG-CG2 4.13Å
214N94.3Very high95.8Very high17 Ų1728.3 Ų28.39%0.09115%0.15CC..THydrogen-bonded Turntrans-96.33.9-164.7-53.4-39.8000113N131 N147 H148 G150 S212N131-N214 PolarHBondContact ND2-O 2.89Å; N147-N214 PolarHBondContact O-ND2 3.31Å; N147-N214 PolarHBondContact O-OD1 3.04Å; N147-N214 PolarHBondContact OD1-ND2 3.08Å; N147-N214 VanDerWaalsContact OD1-ND2 3.15Å; H148-N214 WeakPolarHBondContact CA-OD1 3.44Å; G150-N214 WeakPolarHBondContact CA-O 3.28Å; S212-N214 PolarHBondContact O-N 2.84Å; S212-N214 PolarHBondContact OG-N 2.8Å
215T89.8Confident95.8Very high5 Ų533.4 Ų33.43%0.03117%0.173CC..SBendtrans-119.1112.9178.9-54.70000107.7F151 G217 L218F151-T215 HydrophobicContact CD2-CG2 4.45Å; T215-G217 PolarHBondContact O-N 2.81Å; T215-L218 HydrophobicContact CG2-CB 4.05Å; T215-L218 HydrophobicContact CG2-CD2 4.49Å; T215-L218 WeakPolarHBondContact O-CB 3.11Å; T215-L218 PolarHBondContact O-N 2.97Å
216T87.2Confident95.7Very high114 Ų11436.6 Ų36.670%0.69919%0.188SC*.THydrogen-bonded Turntrans-50.6129.9-174.9-480000112.1L218T216-L218 PolarHBondContact O-N 2.55Å; T216-L218 VanDerWaalsContact O-N 3.1Å
217G90.7Very high95.7Very high41 Ų4136.4 Ų36.442%0.42319%0.187SC..THydrogen-bonded Turntrans66.92.217900000115.3T215 D220T215-G217 PolarHBondContact O-N 2.81Å; G217-D220 WeakPolarHBondContact O-CB 3.47Å; G217-D220 PolarHBondContact O-N 3.15Å
218L94.5Very high95.7Very high0 Ų041.1 Ų41.10%021%0.205CC..  trans-65.8-44.4-176.6-176.473.2000111.9F151 K181 Y192 T215 T216 D220 L221F151-L218 HydrophobicContact CE2-CD2 3.74Å; F151-L218 HydrophobicContact CZ-CD2 3.76Å; K181-L218 HydrophobicContact CD-CD1 3.78Å; K181-L218 HydrophobicContact CG-CD1 3.88Å; Y192-L218 WeakPolarHBondContact OH-CD1 3.39Å; T215-L218 HydrophobicContact CG2-CB 4.05Å; T215-L218 HydrophobicContact CG2-CD2 4.49Å; T215-L218 WeakPolarHBondContact O-CB 3.11Å; T215-L218 PolarHBondContact O-N 2.97Å; T216-L218 PolarHBondContact O-N 2.55Å; T216-L218 VanDerWaalsContact O-N 3.1Å; L218-D220 PolarHBondContact O-N 2.96Å; L218-L221 HydrophobicContact CD1-CD1 3.96Å; L218-L221 VanDerWaalsContact O-CB 3.22Å; L218-L221 WeakPolarHBondContact O-CB 3.44Å; L218-L221 WeakPolarHBondContact O-CG 3.08Å; L218-L221 PolarHBondContact O-N 3.46Å
219R95.9Very high95.6Very high51 Ų5146.3 Ų46.319%0.19223%0.227CC..G310 helixtrans-63.9-21.3-178.2-74.5-174.7167.6-166.5-4.5113.1S211 L221 Q222 S254 D256 T284 T286S211-R219 PolarHBondContact O-NE 3.19Å; S211-R219 PolarHBondContact O-NH2 3.22Å; R219-L221 PolarHBondContact O-N 3.11Å; R219-Q222 VanDerWaalsContact O-CB 3.31Å; R219-Q222 WeakPolarHBondContact O-CB 3.27Å; R219-Q222 PolarHBondContact O-N 3.05Å; R219-Q222 VanDerWaalsContact O-N 3.07Å; R219-Q222 PolarHBondContact O-NE2 2.72Å; R219-S254 VanDerWaalsContact CZ-OG 3.26Å; R219-S254 PolarHBondContact NH1-OG 3.06Å; R219-S254 PolarHBondContact NH2-OG 3.42Å; R219-D256 IonicContact CZ-OD2 3.53Å; R219-D256 IonicContact NH1-OD2 2.7Å; R219-D256 PolarHBondContact NH1-OD2 3.47Å; R219-D256 IonicContact NH2-OD2 2.65Å; R219-T284 PolarHBondContact NH2-O 3.08Å; R219-T286 PolarHBondContact NH1-OG1 2.86Å
220D95.4Very high95.6Very high65 Ų6546.1 Ų46.135%0.34823%0.226SC..G310 helixtrans-65.1-22.6173-65-44.1000112.5G217 L218 Q222 R223G217-D220 WeakPolarHBondContact O-CB 3.47Å; G217-D220 PolarHBondContact O-N 3.15Å; L218-D220 PolarHBondContact O-N 2.96Å; D220-Q222 PolarHBondContact O-N 3.41Å; D220-R223 WeakPolarHBondContact O-CB 2.99Å; D220-R223 WeakPolarHBondContact O-CG 3.49Å; D220-R223 PolarHBondContact O-N 3.45Å; D220-R223 VanDerWaalsContact O-N 3.11Å; D220-R223 IonicContact OD1-CZ 2.84Å; D220-R223 IonicContact OD1-NE 3.36Å; D220-R223 PolarHBondContact OD1-NE 3.47Å; D220-R223 IonicContact OD1-NH2 3.28Å; D220-R223 PolarHBondContact OD1-NH2 3.19Å
221L96.6Very high95.6Very high12 Ų1246.3 Ų46.36%0.06323%0.227CC..G310 helixtrans-65.5-14.7172.9-59.8-173.3000113K181 F188 Y192 V210 L218 R219 R223 H226 L227K181-L221 HydrophobicContact CD-CD1 4.44Å; F188-L221 HydrophobicContact CB-CD1 4.24Å; F188-L221 HydrophobicContact CD1-CD2 4.02Å; F188-L221 HydrophobicContact CD2-CD1 3.79Å; F188-L221 HydrophobicContact CD2-CD2 3.89Å; F188-L221 HydrophobicContact CE1-CD2 3.87Å; F188-L221 HydrophobicContact CE2-CD1 4.35Å; F188-L221 HydrophobicContact CE2-CD2 3.73Å; F188-L221 HydrophobicContact CG-CD1 4.01Å; F188-L221 HydrophobicContact CG-CD2 4.04Å; F188-L221 HydrophobicContact CZ-CD2 3.72Å; Y192-L221 HydrophobicContact CE2-CD1 4.11Å; V210-L221 HydrophobicContact CB-CB 4.1Å; V210-L221 HydrophobicContact CG1-CB 4.02Å; V210-L221 HydrophobicContact CG1-CD1 4.22Å; L218-L221 HydrophobicContact CD1-CD1 3.96Å; L218-L221 VanDerWaalsContact O-CB 3.22Å; L218-L221 WeakPolarHBondContact O-CB 3.44Å; L218-L221 WeakPolarHBondContact O-CG 3.08Å; L218-L221 PolarHBondContact O-N 3.46Å; R219-L221 PolarHBondContact O-N 3.11Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-H226 HydrophobicContact CD2-CB 4.22Å; L221-L227 WeakPolarHBondContact O-CA 3.43Å; L221-L227 VanDerWaalsContact O-CB 3.29Å; L221-L227 WeakPolarHBondContact O-CB 3.14Å; L221-L227 PolarHBondContact O-N 3.15Å
222Q97.7Very high95.6Very high7 Ų748.9 Ų48.93%0.03324%0.243CC..G310 helixtrans-78.4-13.8174.7-63.9175.4108.600112.9V210 R219 D220 L257 I265V210-Q222 HydrophobicContact CB-CG 4.21Å; V210-Q222 HydrophobicContact CG2-CG 3.68Å; V210-Q222 WeakPolarHBondContact O-CG 3.45Å; R219-Q222 VanDerWaalsContact O-CB 3.31Å; R219-Q222 WeakPolarHBondContact O-CB 3.27Å; R219-Q222 PolarHBondContact O-N 3.05Å; R219-Q222 VanDerWaalsContact O-N 3.07Å; R219-Q222 PolarHBondContact O-NE2 2.72Å; D220-Q222 PolarHBondContact O-N 3.41Å; Q222-L257 HydrophobicContact CB-CD2 4.2Å; Q222-I265 HydrophobicContact CB-CD1 4.3Å
223R96.9Very high95.7Very high138 Ų13849.6 Ų49.652%0.52125%0.249SC..SBendtrans-67.3141.3175.5-60.6-178-168-175.67.7110.2D220 L221 Q225 H226 L227D220-R223 WeakPolarHBondContact O-CB 2.99Å; D220-R223 WeakPolarHBondContact O-CG 3.49Å; D220-R223 PolarHBondContact O-N 3.45Å; D220-R223 VanDerWaalsContact O-N 3.11Å; D220-R223 IonicContact OD1-CZ 2.84Å; D220-R223 IonicContact OD1-NE 3.36Å; D220-R223 PolarHBondContact OD1-NE 3.47Å; D220-R223 IonicContact OD1-NH2 3.28Å; D220-R223 PolarHBondContact OD1-NH2 3.19Å; L221-R223 VanDerWaalsContact C-N 3.3Å; R223-Q225 VanDerWaalsContact C-N 3.32Å; R223-Q225 PolarHBondContact O-N 3Å; R223-H226 PolarHBondContact O-N 3.04Å; R223-L227 PolarHBondContact O-N 3.48Å
224K97.1Very high95.8Very high70 Ų7048 Ų4830%0.30424%0.239SC..Hα-helixtrans-43.1-51.3-171-163.4178.2-1561470114.1R228 D264 E267 L268K224-R228 WeakPolarHBondContact O-CB 3.48Å; K224-R228 PolarHBondContact O-N 3.05Å; K224-D264 HydrophobicContact CB-CB 4Å; K224-D264 HydrophobicContact CD-CB 4.09Å; K224-D264 WeakPolarHBondContact CD-OD1 3.39Å; K224-D264 WeakPolarHBondContact CE-OD1 3.36Å; K224-D264 HydrophobicContact CG-CB 4.04Å; K224-D264 IonicContact NZ-OD1 3.93Å; K224-D264 PolarHBondContact NZ-OD1 3.36Å; K224-E267 IonicContact NZ-OE2 2.75Å; K224-E267 PolarHBondContact NZ-OE2 2.6Å; K224-L268 HydrophobicContact CG-CD1 4Å; K224-L268 HydrophobicContact CG-CG 4.37Å
225Q96.9Very high95.9Very high128 Ų12849.6 Ų49.660%0.59825%0.246SC*.Hα-helixtrans-66.5-43.8-175.5-169.1-173.91000113R223 K229R223-Q225 VanDerWaalsContact C-N 3.32Å; R223-Q225 PolarHBondContact O-N 3Å; Q225-K229 WeakPolarHBondContact O-CG 3.32Å; Q225-K229 PolarHBondContact O-N 3.3Å
226H96.7Very high96.2Very high70 Ų7052.3 Ų52.332%0.32427%0.265SS..Hα-helixtrans-70-43179.4-67.2-60.8000111L221 R223 K229 L230L221-H226 HydrophobicContact CD2-CB 4.22Å; R223-H226 PolarHBondContact O-N 3.04Å; H226-K229 PolarHBondContact O-N 2.94Å; H226-L230 PolarHBondContact O-N 3.18Å
227L98.3Very high96.5Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-63.4-44.7178.1-172.957.8000111.4L221 R223 K229 L230 L231 L251 I265 L268L221-L227 WeakPolarHBondContact O-CA 3.43Å; L221-L227 VanDerWaalsContact O-CB 3.29Å; L221-L227 WeakPolarHBondContact O-CB 3.14Å; L221-L227 PolarHBondContact O-N 3.15Å; R223-L227 PolarHBondContact O-N 3.48Å; L227-K229 PolarHBondContact O-N 2.86Å; L227-L230 WeakPolarHBondContact O-CB 3.33Å; L227-L230 PolarHBondContact O-N 3.42Å; L227-L231 HydrophobicContact CD1-CD1 3.94Å; L227-L231 HydrophobicContact CD1-CD2 4.38Å; L227-L231 HydrophobicContact CD1-CG 3.92Å; L227-L231 HydrophobicContact CD2-CD1 4.28Å; L227-L231 HydrophobicContact CG-CD1 3.72Å; L227-L231 HydrophobicContact CG-CG 4.12Å; L227-L231 WeakPolarHBondContact O-CB 2.83Å; L227-L231 WeakPolarHBondContact O-CG 3.18Å; L227-L231 PolarHBondContact O-N 2.93Å; L227-L251 HydrophobicContact CD1-CD1 3.95Å; L227-L251 HydrophobicContact CD1-CD2 4.03Å; L227-L251 HydrophobicContact CD2-CD2 3.89Å; L227-I265 HydrophobicContact CD2-CB 4.24Å; L227-I265 HydrophobicContact CD2-CG1 3.68Å; L227-I265 HydrophobicContact CD2-CG2 4.06Å; L227-L268 HydrophobicContact CB-CD1 3.95Å; L227-L268 HydrophobicContact CD2-CD1 3.95Å; L227-L268 HydrophobicContact CG-CD1 4.01Å
228R98.2Very high96.7Very high99 Ų9947.7 Ų47.737%0.37423%0.226SC..Hα-helixtrans-55.9-49175.2-170.7-174.4-168.585.59.5111.4K224 L230 L231 V232 L268 E271K224-R228 WeakPolarHBondContact O-CB 3.48Å; K224-R228 PolarHBondContact O-N 3.05Å; R228-L230 VanDerWaalsContact C-N 3.3Å; R228-L230 PolarHBondContact O-N 2.99Å; R228-L231 PolarHBondContact O-N 2.82Å; R228-V232 HydrophobicContact CG-CG2 4.34Å; R228-V232 WeakPolarHBondContact O-CB 3.5Å; R228-V232 VanDerWaalsContact O-CG2 3.28Å; R228-V232 WeakPolarHBondContact O-CG2 3.29Å; R228-V232 PolarHBondContact O-N 2.86Å; R228-L268 HydrophobicContact CB-CD1 4.3Å; R228-L268 HydrophobicContact CB-CD2 3.73Å; R228-L268 HydrophobicContact CG-CD2 3.8Å; R228-E271 IonicContact CZ-OE1 3.86Å; R228-E271 IonicContact CZ-OE2 2.67Å; R228-E271 IonicContact NH1-OE1 2.76Å; R228-E271 PolarHBondContact NH1-OE1 2.93Å; R228-E271 IonicContact NH1-OE2 3.88Å; R228-E271 PolarHBondContact NH1-OE2 2.91Å; R228-E271 IonicContact NH2-OE2 3.9Å; R228-E271 PolarHBondContact NH2-OE2 2.78Å
229K97.3Very high96.6Very high110 Ų11051.3 Ų51.348%0.47825%0.248SC..Hα-helixtrans-58.1-43.2178-74.8177.4-179.2-178.80111.8Q225 H226 L227 A233Q225-K229 WeakPolarHBondContact O-CG 3.32Å; Q225-K229 PolarHBondContact O-N 3.3Å; H226-K229 PolarHBondContact O-N 2.94Å; L227-K229 PolarHBondContact O-N 2.86Å; K229-A233 WeakPolarHBondContact O-CB 3.29Å; K229-A233 PolarHBondContact O-N 3.11Å
230L98Very high96.4Very high0 Ų054.2 Ų54.20%027%0.271CS..Hα-helixtrans-63.2-53.9176.3179.757.2000111.5F188 I189 Y192 V208 V210 H226 L227 R228 V232 A233 L234F188-L230 HydrophobicContact CD2-CD1 4.26Å; F188-L230 HydrophobicContact CE2-CB 4.19Å; F188-L230 HydrophobicContact CE2-CD1 4.38Å; I189-L230 HydrophobicContact CG1-CD1 4.26Å; Y192-L230 HydrophobicContact CD2-CD1 3.57Å; Y192-L230 HydrophobicContact CD2-CD2 3.93Å; Y192-L230 HydrophobicContact CD2-CG 4.41Å; Y192-L230 HydrophobicContact CE2-CD1 4.4Å; Y192-L230 HydrophobicContact CE2-CD2 4.03Å; Y192-L230 HydrophobicContact CG-CD1 4.11Å; V208-L230 HydrophobicContact CG1-CD2 3.91Å; V210-L230 HydrophobicContact CG1-CD2 3.78Å; H226-L230 PolarHBondContact O-N 3.18Å; L227-L230 WeakPolarHBondContact O-CB 3.33Å; L227-L230 PolarHBondContact O-N 3.42Å; R228-L230 VanDerWaalsContact C-N 3.3Å; R228-L230 PolarHBondContact O-N 2.99Å; L230-V232 PolarHBondContact O-N 3.12Å; L230-A233 WeakPolarHBondContact O-CB 3.4Å; L230-A233 PolarHBondContact O-N 3.35Å; L230-A233 VanDerWaalsContact O-N 3.14Å; L230-L234 HydrophobicContact CD1-CD1 4.01Å; L230-L234 HydrophobicContact CD1-CD2 4.37Å; L230-L234 HydrophobicContact CD1-CG 3.99Å; L230-L234 HydrophobicContact CG-CD1 4.04Å; L230-L234 HydrophobicContact CG-CG 4.34Å; L230-L234 WeakPolarHBondContact O-CG 3.4Å; L230-L234 PolarHBondContact O-N 3.36Å
231L98.3Very high96.2Very high4 Ų451.7 Ų51.72%0.02126%0.257CS..Hα-helixtrans-64.6-37.2-174.5-65.9177000112.4L227 R228 L234 H235 L268 C274 V276L227-L231 HydrophobicContact CD1-CD1 3.94Å; L227-L231 HydrophobicContact CD1-CD2 4.38Å; L227-L231 HydrophobicContact CD1-CG 3.92Å; L227-L231 HydrophobicContact CD2-CD1 4.28Å; L227-L231 HydrophobicContact CG-CD1 3.72Å; L227-L231 HydrophobicContact CG-CG 4.12Å; L227-L231 WeakPolarHBondContact O-CB 2.83Å; L227-L231 WeakPolarHBondContact O-CG 3.18Å; L227-L231 PolarHBondContact O-N 2.93Å; R228-L231 PolarHBondContact O-N 2.82Å; L231-L234 PolarHBondContact O-N 2.89Å; L231-H235 VanDerWaalsContact O-CB 3.28Å; L231-H235 WeakPolarHBondContact O-CB 3.42Å; L231-H235 PolarHBondContact O-N 3.15Å; L231-L268 HydrophobicContact CD1-CB 4.31Å; L231-C274 HydrophobicContact CB-CB 3.83Å; L231-C274 HydrophobicContact CD1-CB 4.09Å; L231-C274 WeakPolarHBondContact CD1-O 3.44Å; L231-V276 HydrophobicContact CD1-CG1 4.49Å; L231-V276 HydrophobicContact CD2-CG1 3.69Å
232V97.9Very high96Very high55 Ų5555 Ų5533%0.33328%0.28SS..Hα-helixtrans-62.1-42.7172.8170.30000111.7R228 L230 H235 S236 F273R228-V232 HydrophobicContact CG-CG2 4.34Å; R228-V232 WeakPolarHBondContact O-CB 3.5Å; R228-V232 VanDerWaalsContact O-CG2 3.28Å; R228-V232 WeakPolarHBondContact O-CG2 3.29Å; R228-V232 PolarHBondContact O-N 2.86Å; L230-V232 PolarHBondContact O-N 3.12Å; V232-H235 PolarHBondContact O-N 3.04Å; V232-S236 PolarHBondContact O-N 2.99Å; V232-S236 PolarHBondContact O-OG 2.88Å; V232-F273 WeakPolarHBondContact CA-O 3.27Å; V232-F273 HydrophobicContact CG2-CB 4.39Å
233A97.1Very high95.5Very high22 Ų2261.1 Ų61.118%0.18231%0.312CS..Hα-helixtrans-66.3-43.7177.700000111.5I189 K229 L230 S236 V237I189-A233 HydrophobicContact CD1-CB 4.42Å; I189-A233 HydrophobicContact CG2-CB 3.34Å; K229-A233 WeakPolarHBondContact O-CB 3.29Å; K229-A233 PolarHBondContact O-N 3.11Å; L230-A233 WeakPolarHBondContact O-CB 3.4Å; L230-A233 PolarHBondContact O-N 3.35Å; L230-A233 VanDerWaalsContact O-N 3.14Å; A233-S236 WeakPolarHBondContact O-CB 3.49Å; A233-S236 PolarHBondContact O-N 3.26Å; A233-V237 WeakPolarHBondContact O-CG2 3.37Å; A233-V237 PolarHBondContact O-N 3.4Å
234L97.3Very high95Very high0 Ų064.3 Ų64.30%033%0.33CS..Hα-helixtrans-65.6-39176.5-64.3-175.5000112.2L196 V208 L230 L231 S236 V237 R238 L249L196-L234 HydrophobicContact CD1-CD2 4.05Å; L196-L234 HydrophobicContact CD2-CB 4.2Å; L196-L234 HydrophobicContact CD2-CD2 4.02Å; V208-L234 HydrophobicContact CG1-CD1 4.28Å; V208-L234 HydrophobicContact CG2-CD1 3.53Å; L230-L234 HydrophobicContact CD1-CD1 4.01Å; L230-L234 HydrophobicContact CD1-CD2 4.37Å; L230-L234 HydrophobicContact CD1-CG 3.99Å; L230-L234 HydrophobicContact CG-CD1 4.04Å; L230-L234 HydrophobicContact CG-CG 4.34Å; L230-L234 WeakPolarHBondContact O-CG 3.4Å; L230-L234 PolarHBondContact O-N 3.36Å; L231-L234 PolarHBondContact O-N 2.89Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.03Å; L234-V237 PolarHBondContact O-N 2.97Å; L234-R238 WeakPolarHBondContact O-CB 3.41Å; L234-R238 VanDerWaalsContact O-CG 3.24Å; L234-R238 WeakPolarHBondContact O-CG 3.49Å; L234-R238 PolarHBondContact O-N 2.95Å; L234-L249 HydrophobicContact CB-CD2 4.18Å; L234-L249 HydrophobicContact CD1-CD2 4.17Å
235H96Very high94.5Very high51 Ų5167 Ų6724%0.23634%0.338CS..Hα-helixtrans-56.9-48.1171.9178.289.7000110.5L231 V232 V237 R238 T239 P272 F273L231-H235 VanDerWaalsContact O-CB 3.28Å; L231-H235 WeakPolarHBondContact O-CB 3.42Å; L231-H235 PolarHBondContact O-N 3.15Å; V232-H235 PolarHBondContact O-N 3.04Å; H235-V237 PolarHBondContact O-N 3.41Å; H235-R238 WeakPolarHBondContact O-CB 3.32Å; H235-R238 PolarHBondContact O-N 3.46Å; H235-R238 VanDerWaalsContact O-N 3.11Å; H235-T239 WeakPolarHBondContact O-CG2 3.26Å; H235-T239 PolarHBondContact O-N 3.32Å; H235-P272 PolarHBondContact CE1-O 3.38Å; H235-F273 VanDerWaalsContact CB-O 3.22Å; H235-F273 WeakPolarHBondContact CB-O 3.3Å
236S95.3Very high94.2Very high61 Ų6164.9 Ų64.943%0.42732%0.324SS..Hα-helixtrans-57.2-47.1177.2-55.60000111.5V232 A233 L234 R238 T239 T240V232-S236 PolarHBondContact O-N 2.99Å; V232-S236 PolarHBondContact O-OG 2.88Å; A233-S236 WeakPolarHBondContact O-CB 3.49Å; A233-S236 PolarHBondContact O-N 3.26Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.03Å; S236-R238 PolarHBondContact O-N 3.39Å; S236-T239 PolarHBondContact O-N 3.08Å; S236-T239 PolarHBondContact O-OG1 3.48Å; S236-T240 PolarHBondContact O-N 2.99Å
237V94.3Very high94.2Very high35 Ų3563.7 Ų63.721%0.21232%0.318CS..Hα-helixtrans-61.5-43.4175174.80000111.8L196 A233 L234 H235 T239 T240 I241L196-V237 HydrophobicContact CB-CG1 4.36Å; A233-V237 WeakPolarHBondContact O-CG2 3.37Å; A233-V237 PolarHBondContact O-N 3.4Å; L234-V237 PolarHBondContact O-N 2.97Å; H235-V237 PolarHBondContact O-N 3.41Å; V237-T239 PolarHBondContact O-N 3.49Å; V237-T240 PolarHBondContact O-N 3.32Å; V237-T240 VanDerWaalsContact O-N 3.13Å; V237-T240 PolarHBondContact O-OG1 3.23Å; V237-I241 PolarHBondContact O-N 3.41Å
238R94.1Very high94.1Very high24 Ų2464.4 Ų64.49%0.09132%0.323CS..Hα-helixtrans-60.2-33.3177.1-71.7175.170.1-166.54.4112.4L196 L234 H235 S236 T240 I241 R246 H275 D277L196-R238 HydrophobicContact CD2-CG 3.74Å; L234-R238 WeakPolarHBondContact O-CB 3.41Å; L234-R238 VanDerWaalsContact O-CG 3.24Å; L234-R238 WeakPolarHBondContact O-CG 3.49Å; L234-R238 PolarHBondContact O-N 2.95Å; H235-R238 WeakPolarHBondContact O-CB 3.32Å; H235-R238 PolarHBondContact O-N 3.46Å; H235-R238 VanDerWaalsContact O-N 3.11Å; S236-R238 PolarHBondContact O-N 3.39Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 2.87Å; R238-I241 PolarHBondContact O-N 3.18Å; R238-R246 VanDerWaalsContact O-CZ 3.25Å; R238-R246 PolarHBondContact O-NE 3.42Å; R238-R246 PolarHBondContact O-NH2 2.76Å; R238-H275 PolarHBondContact NH1-O 2.81Å; R238-D277 IonicContact CZ-OD2 2.89Å; R238-D277 VanDerWaalsContact CZ-OD2 3.28Å; R238-D277 IonicContact NH1-OD2 3.03Å; R238-D277 PolarHBondContact NH1-OD2 2.95Å; R238-D277 IonicContact NH2-OD1 2.76Å; R238-D277 IonicContact NH2-OD2 3.34Å; R238-D277 PolarHBondContact NH2-OD2 2.88Å
239T92.3Very high94.1Very high76 Ų7659.9 Ų59.947%0.46631%0.306SS..Hα-helixtrans-68.4-27.1178.763.40000113.3H235 S236 V237H235-T239 WeakPolarHBondContact O-CG2 3.26Å; H235-T239 PolarHBondContact O-N 3.32Å; S236-T239 PolarHBondContact O-N 3.08Å; S236-T239 PolarHBondContact O-OG1 3.48Å; V237-T239 PolarHBondContact O-N 3.49Å
240T93.2Very high94.2Very high111 Ų11154.7 Ų54.768%0.68128%0.284SS*.Hα-helixtrans-78.8-21.1175.972.40000112.7S236 V237 R238S236-T240 PolarHBondContact O-N 2.99Å; V237-T240 PolarHBondContact O-N 3.32Å; V237-T240 VanDerWaalsContact O-N 3.13Å; V237-T240 PolarHBondContact O-OG1 3.23Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 2.87Å
241I90.7Very high94.2Very high12 Ų1254.7 Ų54.76%0.06228%0.284CS..SBendtrans-76.8126.8176.7-58.9172.2000109.5V237 R238 R245 R246V237-I241 PolarHBondContact O-N 3.41Å; R238-I241 PolarHBondContact O-N 3.18Å; I241-R245 HydrophobicContact CG2-CB 3.74Å; I241-R246 HydrophobicContact CG2-CB 4.42Å; I241-R246 PolarHBondContact O-NH2 3.38Å
242P91.4Very high94.2Very high82 Ų8255 Ų5553%0.53229%0.285SS..  trans-53.7140.5175.5-26.734.3000112K244 R245 R246P242-K244 VanDerWaalsContact C-N 3.26Å; P242-K244 PolarHBondContact O-N 3.49Å; P242-K244 VanDerWaalsContact O-N 3.08Å; P242-R245 CarbonylContact O-C 3.53Å; P242-R245 WeakPolarHBondContact O-CA 3.16Å; P242-R245 PolarHBondContact O-N 2.84Å; P242-R246 PolarHBondContact O-N 3.25Å
243L87.9Confident94.3Very high136 Ų13652.3 Ų52.371%0.71227%0.269SS*.G310 helixtrans-49.5-42.1-174.5-74.4172000113.9R245 R246L243-R245 PolarHBondContact O-N 2.88Å; L243-R246 PolarHBondContact O-N 3.11Å
244K86.5Confident94.3Very high205 Ų20551.4 Ų51.489%0.89126%0.261SS*.G310 helixtrans-62.8-24.8178.1-66.7-174.2178.1-178.20114P242P242-K244 VanDerWaalsContact C-N 3.26Å; P242-K244 PolarHBondContact O-N 3.49Å; P242-K244 VanDerWaalsContact O-N 3.08Å
245R87.1Confident94.3Very high126 Ų12651.4 Ų51.448%0.47526%0.261SS..G310 helixtrans-100-14.2179.5-70-179.762.9170-6.9112.7I241 P242 L243 K247I241-R245 HydrophobicContact CG2-CB 3.74Å; P242-R245 CarbonylContact O-C 3.53Å; P242-R245 WeakPolarHBondContact O-CA 3.16Å; P242-R245 PolarHBondContact O-N 2.84Å; L243-R245 PolarHBondContact O-N 2.88Å; R245-K247 WeakPolarHBondContact O-CE 3.21Å; R245-K247 PolarHBondContact O-N 3.39Å
246R91.1Very high94.4Very high83 Ų8351 Ų5131%0.31326%0.261SS..PPolyproline II helixtrans-67.1121.1179.4-170.7178.6-64.5164.17.1109.6R238 I241 P242 L243R238-R246 VanDerWaalsContact O-CZ 3.25Å; R238-R246 PolarHBondContact O-NE 3.42Å; R238-R246 PolarHBondContact O-NH2 2.76Å; I241-R246 HydrophobicContact CG2-CB 4.42Å; I241-R246 PolarHBondContact O-NH2 3.38Å; P242-R246 PolarHBondContact O-N 3.25Å; L243-R246 PolarHBondContact O-N 3.11Å
247K95.1Very high94.5Very high45 Ų4548.8 Ų48.820%0.19624%0.244CC..PPolyproline II helixtrans-98.8154.9178.5-53.6-55.6177.9178.80111.2S200 A203 I206 R245 L249S200-K247 WeakPolarHBondContact O-CE 3.26Å; A203-K247 VanDerWaalsContact O-CD 3.29Å; A203-K247 WeakPolarHBondContact O-CD 3.46Å; A203-K247 WeakPolarHBondContact O-CE 3.41Å; I206-K247 HydrophobicContact CG1-CB 4.39Å; R245-K247 WeakPolarHBondContact O-CE 3.21Å; R245-K247 PolarHBondContact O-N 3.39Å; K247-L249 PolarHBondContact O-N 2.97Å
248P97.3Very high94.7Very high15 Ų1550.9 Ų50.910%0.09726%0.257CS..PPolyproline II helixtrans-53.3130.4167.7-24.334.2000110.9F86 D204 Y205 I206 L250 D277F86-P248 HydrophobicContact CB-CB 4Å; F86-P248 HydrophobicContact CB-CG 3.68Å; F86-P248 HydrophobicContact CG-CB 4.22Å; F86-P248 HydrophobicContact CG-CG 4.4Å; D204-P248 VanDerWaalsContact O-CD 3.25Å; D204-P248 WeakPolarHBondContact O-CD 3.39Å; Y205-P248 WeakPolarHBondContact CA-O 3.38Å; I206-P248 PolarHBondContact N-O 3.18Å; P248-L250 HydrophobicContact CB-CD1 3.95Å; P248-D277 VanDerWaalsContact CA-OD2 3.28Å; P248-D277 WeakPolarHBondContact CA-OD2 3.38Å; P248-D277 HydrophobicContact CB-CB 3.95Å
249L97.9Very high94.9Very high5 Ų555.2 Ų55.23%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-103.2119.6175.7-176.371.2000108.9L196 I206 V208 L234 K247 V276 D277L196-L249 HydrophobicContact CD1-CD1 3.91Å; L196-L249 HydrophobicContact CD2-CD1 4.12Å; L196-L249 HydrophobicContact CG-CD1 4.21Å; I206-L249 HydrophobicContact CB-CD1 4.41Å; I206-L249 HydrophobicContact CG2-CD1 4.4Å; I206-L249 CarbonylContact O-C 3.53Å; I206-L249 WeakPolarHBondContact O-CA 3.25Å; V208-L249 HydrophobicContact CG2-CD1 3.63Å; V208-L249 HydrophobicContact CG2-CG 4.4Å; L234-L249 HydrophobicContact CB-CD2 4.18Å; L234-L249 HydrophobicContact CD1-CD2 4.17Å; K247-L249 PolarHBondContact O-N 2.97Å; L249-V276 HydrophobicContact CD2-CG1 4.42Å; L249-V276 CarbonylContact O-C 3.53Å; L249-D277 PolarHBondContact N-OD2 3.3Å; L249-D277 PolarHBondContact O-N 3.07Å
250L98.7Very high95.2Very high0 Ų057 Ų570%028%0.283CS..EExtended strand (participates in β ladder)trans-109.9144.3179.1-80.663.1000110.3F86 Y205 I206 V207 V208 P248 G278 I280 I329F86-L250 HydrophobicContact CE1-CD1 4.22Å; F86-L250 HydrophobicContact CE2-CD1 4.38Å; F86-L250 HydrophobicContact CE2-CD2 4.07Å; F86-L250 HydrophobicContact CZ-CD1 4.13Å; F86-L250 HydrophobicContact CZ-CD2 3.84Å; F86-L250 HydrophobicContact CZ-CG 4.2Å; Y205-L250 HydrophobicContact CD2-CD1 4.27Å; Y205-L250 HydrophobicContact CD2-CD2 3.87Å; Y205-L250 HydrophobicContact CE2-CD2 4.15Å; I206-L250 PolarHBondContact O-N 3.19Å; V207-L250 CarbonylContact C-O 3.59Å; V207-L250 WeakPolarHBondContact CA-O 3.29Å; V207-L250 HydrophobicContact CG2-CB 4.09Å; V208-L250 PolarHBondContact N-O 3.02Å; P248-L250 HydrophobicContact CB-CD1 3.95Å; L250-G278 VanDerWaalsContact CA-O 3.26Å; L250-G278 WeakPolarHBondContact CA-O 3.4Å; L250-I280 HydrophobicContact CB-CD1 4.44Å; L250-I280 HydrophobicContact CD2-CD1 4.21Å; L250-I280 HydrophobicContact CD2-CG1 4.18Å; L250-I329 HydrophobicContact CD2-CD1 3.51Å; L250-I329 HydrophobicContact CD2-CG1 4.06Å
251L98.8Very high95.4Very high1 Ų154.6 Ų54.61%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-106.5126173.1179.872000110V208 V210 L227 V253 I265 V276 G278 L279 I280V208-L251 HydrophobicContact CB-CD1 4.38Å; V208-L251 HydrophobicContact CG1-CD1 4.14Å; V210-L251 HydrophobicContact CG2-CD1 3.65Å; V210-L251 HydrophobicContact CG2-CG 4.49Å; L227-L251 HydrophobicContact CD1-CD1 3.95Å; L227-L251 HydrophobicContact CD1-CD2 4.03Å; L227-L251 HydrophobicContact CD2-CD2 3.89Å; L251-V253 HydrophobicContact CD2-CG1 4.04Å; L251-V253 HydrophobicContact CG-CG1 4.05Å; L251-I265 HydrophobicContact CD2-CG2 3.91Å; L251-V276 HydrophobicContact CB-CG1 4.26Å; L251-G278 PolarHBondContact N-O 2.75Å; L251-L279 HydrophobicContact CB-CD2 3.96Å; L251-L279 HydrophobicContact CD2-CD2 4.29Å; L251-L279 HydrophobicContact CG-CD2 4.47Å; L251-L279 CarbonylContact O-C 3.46Å; L251-L279 WeakPolarHBondContact O-CA 3.27Å; L251-I280 PolarHBondContact O-N 3.27Å
252K98.8Very high95.8Very high9 Ų954.8 Ų54.84%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-98.6121177.1-173.1169.3-169.3165.50110.7E119 V207 V208 S211 I280E119-K252 IonicContact OE1-NZ 2.71Å; E119-K252 PolarHBondContact OE1-NZ 3.14Å; V207-K252 HydrophobicContact CG1-CB 3.74Å; V207-K252 HydrophobicContact CG1-CD 4.39Å; V208-K252 PolarHBondContact O-N 2.94Å; S211-K252 VanDerWaalsContact CB-O 3.26Å; S211-K252 WeakPolarHBondContact CB-O 3.49Å; S211-K252 VanDerWaalsContact OG-C 3.24Å; S211-K252 PolarHBondContact OG-O 2.91Å; K252-I280 HydrophobicContact CB-CB 4.04Å; K252-I280 HydrophobicContact CB-CD1 4.42Å; K252-I280 HydrophobicContact CD-CB 4.39Å; K252-I280 HydrophobicContact CD-CG2 4.02Å; K252-I280 HydrophobicContact CG-CB 3.9Å; K252-I280 HydrophobicContact CG-CG2 3.82Å
253V98.8Very high96.2Very high0 Ų055.3 Ų55.30%026%0.259CS..EExtended strand (participates in β ladder)trans-114.9158.5-171.5-63.30000113.3L251 L257 I265 I280 V281 S282 N283 F318L251-V253 HydrophobicContact CD2-CG1 4.04Å; L251-V253 HydrophobicContact CG-CG1 4.05Å; V253-L257 HydrophobicContact CB-CD1 4.02Å; V253-I265 HydrophobicContact CG1-CD1 4.39Å; V253-I265 HydrophobicContact CG1-CG2 4.21Å; V253-I280 PolarHBondContact N-O 3.01Å; V253-I280 VanDerWaalsContact N-O 3.1Å; V253-V281 HydrophobicContact CG2-CB 4.49Å; V253-V281 HydrophobicContact CG2-CG2 3.84Å; V253-S282 WeakPolarHBondContact O-CA 3.49Å; V253-N283 PolarHBondContact O-N 3.3Å; V253-F318 HydrophobicContact CB-CE2 4.49Å; V253-F318 HydrophobicContact CB-CZ 4.44Å; V253-F318 HydrophobicContact CG1-CZ 4.47Å; V253-F318 HydrophobicContact CG2-CD2 4.36Å; V253-F318 HydrophobicContact CG2-CE2 3.65Å; V253-F318 HydrophobicContact CG2-CZ 3.98Å
254S98Very high96.7Very high2 Ų251 Ų511%0.01424%0.236CC..  trans-78.2144.8178.3-178.40000111.3R219 D256 L257R219-S254 VanDerWaalsContact CZ-OG 3.26Å; R219-S254 PolarHBondContact NH1-OG 3.06Å; R219-S254 PolarHBondContact NH2-OG 3.42Å; S254-D256 PolarHBondContact O-N 3.48Å; S254-D256 WeakPolarHBondContact OG-CB 3.48Å; S254-D256 PolarHBondContact OG-N 3.18Å; S254-D256 VanDerWaalsContact OG-N 3.11Å; S254-L257 VanDerWaalsContact O-CD1 3.32Å; S254-L257 WeakPolarHBondContact O-CD1 3.48Å; S254-L257 WeakPolarHBondContact O-CG 3.43Å
255P97.9Very high97.2Very high1 Ų141.3 Ų41.31%0.00619%0.194CC..THydrogen-bonded Turntrans-71.1-19.4168.329.5-31.7000112.5L257 S282 N283 T284 L307 L310P255-L257 PolarHBondContact O-N 3.46Å; P255-S282 WeakPolarHBondContact CB-OG 3.46Å; P255-N283 VanDerWaalsContact CD-O 3.27Å; P255-N283 WeakPolarHBondContact CD-O 3.41Å; P255-N283 WeakPolarHBondContact CG-O 3.24Å; P255-T284 WeakPolarHBondContact CD-O 3.27Å; P255-L307 HydrophobicContact CB-CD1 4.02Å; P255-L307 HydrophobicContact CG-CD1 3.81Å; P255-L310 HydrophobicContact CB-CD2 3.87Å; P255-L310 HydrophobicContact CB-CG 3.93Å; P255-L310 HydrophobicContact CG-CD2 4.34Å
256D97.4Very high97.8Very high43 Ų4335.4 Ų35.423%0.2317%0.172CC..THydrogen-bonded Turntrans-83.715.9-174-54.9-31.6000113.4R219 S254 T285 T286R219-D256 IonicContact CZ-OD2 3.53Å; R219-D256 IonicContact NH1-OD2 2.7Å; R219-D256 PolarHBondContact NH1-OD2 3.47Å; R219-D256 IonicContact NH2-OD2 2.65Å; S254-D256 PolarHBondContact O-N 3.48Å; S254-D256 WeakPolarHBondContact OG-CB 3.48Å; S254-D256 PolarHBondContact OG-N 3.18Å; S254-D256 VanDerWaalsContact OG-N 3.11Å; D256-T285 VanDerWaalsContact OD1-CB 3.27Å; D256-T285 WeakPolarHBondContact OD1-CB 3.18Å; D256-T285 PolarHBondContact OD1-OG1 2.61Å; D256-T285 WeakPolarHBondContact OD2-CA 3.25Å; D256-T286 PolarHBondContact OD2-N 2.9Å; D256-T286 PolarHBondContact OD2-OG1 3.23Å
257L98.1Very high98.1Very high13 Ų1334.9 Ų34.97%0.06817%0.173CC..  trans-76.6138.4179.1-66.1167.5000110.6Q222 V253 S254 P255 E261 K262 I265 F318Q222-L257 HydrophobicContact CB-CD2 4.2Å; V253-L257 HydrophobicContact CB-CD1 4.02Å; S254-L257 VanDerWaalsContact O-CD1 3.32Å; S254-L257 WeakPolarHBondContact O-CD1 3.48Å; S254-L257 WeakPolarHBondContact O-CG 3.43Å; P255-L257 PolarHBondContact O-N 3.46Å; L257-E261 HydrophobicContact CB-CB 4.29Å; L257-E261 HydrophobicContact CD2-CB 4.02Å; L257-K262 HydrophobicContact CB-CG 3.8Å; L257-K262 HydrophobicContact CD1-CG 4.34Å; L257-K262 VanDerWaalsContact O-CE 3.27Å; L257-K262 WeakPolarHBondContact O-CE 3.37Å; L257-I265 HydrophobicContact CD1-CD1 3.51Å; L257-I265 HydrophobicContact CD2-CD1 4.13Å; L257-I265 HydrophobicContact CG-CD1 4.47Å; L257-F318 HydrophobicContact CD1-CE2 4.24Å; L257-F318 HydrophobicContact CD1-CZ 3.98Å
258T97.9Very high98.3Very high79 Ų7932.7 Ų32.749%0.48516%0.164SC..  trans-64.2160.116665.30000110.5N260 E261 K262T258-N260 VanDerWaalsContact C-N 3.27Å; T258-N260 PolarHBondContact O-N 3.39Å; T258-E261 WeakPolarHBondContact CB-OE2 3.39Å; T258-E261 WeakPolarHBondContact CG2-OE2 3.24Å; T258-E261 PolarHBondContact N-OE2 2.94Å; T258-E261 PolarHBondContact O-N 3.33Å; T258-E261 VanDerWaalsContact OG1-CD 3.31Å; T258-E261 VanDerWaalsContact OG1-CG 3.25Å; T258-E261 WeakPolarHBondContact OG1-CG 3.5Å; T258-E261 PolarHBondContact OG1-N 3.43Å; T258-E261 PolarHBondContact OG1-OE2 3.12Å; T258-K262 WeakPolarHBondContact O-CG 3.24Å; T258-K262 PolarHBondContact O-N 3.22Å
259F98.2Very high98.3Very high115 Ų11532 Ų3250%0.50416%0.159SC..Hα-helixtrans-59.7-37.4178.1-173.9-97000112.9K262 K263 L321F259-K262 WeakPolarHBondContact O-CB 3.49Å; F259-K262 PolarHBondContact O-N 3.34Å; F259-K263 PolarHBondContact O-N 3.08Å; F259-L321 HydrophobicContact CZ-CD2 4.11Å
260N98.4Very high98.2Very high115 Ų11534.9 Ų34.962%0.61518%0.175SC*.Hα-helixtrans-67.2-40.2177.4-72.3-26.7000112.1T258 K263 D264T258-N260 VanDerWaalsContact C-N 3.27Å; T258-N260 PolarHBondContact O-N 3.39Å; N260-K263 WeakPolarHBondContact O-CB 3.22Å; N260-K263 PolarHBondContact O-N 3.09Å; N260-D264 PolarHBondContact O-N 3.1Å
261E98.6Very high98.1Very high59 Ų5937.1 Ų37.128%0.27619%0.185SC..Hα-helixtrans-65-39.8174.4-69.7165.4133.400111.6L257 T258 K263 D264 I265L257-E261 HydrophobicContact CB-CB 4.29Å; L257-E261 HydrophobicContact CD2-CB 4.02Å; T258-E261 WeakPolarHBondContact CB-OE2 3.39Å; T258-E261 WeakPolarHBondContact CG2-OE2 3.24Å; T258-E261 PolarHBondContact N-OE2 2.94Å; T258-E261 PolarHBondContact O-N 3.33Å; T258-E261 VanDerWaalsContact OG1-CD 3.31Å; T258-E261 VanDerWaalsContact OG1-CG 3.25Å; T258-E261 WeakPolarHBondContact OG1-CG 3.5Å; T258-E261 PolarHBondContact OG1-N 3.43Å; T258-E261 PolarHBondContact OG1-OE2 3.12Å; E261-K263 VanDerWaalsContact C-N 3.31Å; E261-K263 PolarHBondContact O-N 3.38Å; E261-D264 PolarHBondContact O-N 3.23Å; E261-I265 WeakPolarHBondContact O-CD1 3.49Å; E261-I265 VanDerWaalsContact O-CG1 3.23Å; E261-I265 WeakPolarHBondContact O-CG1 3.35Å; E261-I265 PolarHBondContact O-N 2.86Å
262K98.7Very high97.8Very high16 Ų1641.8 Ų41.87%0.0722%0.215CC..Hα-helixtrans-59.3-43.4172.6-66.8171.2-176.5166.70111.3L257 T258 F259 I265 A266 D317 F318 L321L257-K262 HydrophobicContact CB-CG 3.8Å; L257-K262 HydrophobicContact CD1-CG 4.34Å; L257-K262 VanDerWaalsContact O-CE 3.27Å; L257-K262 WeakPolarHBondContact O-CE 3.37Å; T258-K262 WeakPolarHBondContact O-CG 3.24Å; T258-K262 PolarHBondContact O-N 3.22Å; F259-K262 WeakPolarHBondContact O-CB 3.49Å; F259-K262 PolarHBondContact O-N 3.34Å; K262-I265 PolarHBondContact O-N 3.47Å; K262-A266 VanDerWaalsContact O-CB 3.29Å; K262-A266 WeakPolarHBondContact O-CB 3.2Å; K262-A266 PolarHBondContact O-N 2.71Å; K262-D317 HydrophobicContact CD-CB 3.94Å; K262-D317 IonicContact NZ-OD2 3.87Å; K262-D317 PolarHBondContact NZ-OD2 3.01Å; K262-F318 HydrophobicContact CB-CE1 4.25Å; K262-F318 HydrophobicContact CB-CE2 4.38Å; K262-F318 HydrophobicContact CB-CZ 4.01Å; K262-F318 HydrophobicContact CG-CE2 3.91Å; K262-F318 HydrophobicContact CG-CZ 3.91Å; K262-L321 HydrophobicContact CB-CD1 3.8Å
263K98.5Very high97.7Very high94 Ų9447.8 Ų47.841%0.40924%0.242SC..Hα-helixtrans-61.4-48.1176.6-178.1-179.3173.3-175.10111.3F259 N260 E261 I265 A266 E267 L321F259-K263 PolarHBondContact O-N 3.08Å; N260-K263 WeakPolarHBondContact O-CB 3.22Å; N260-K263 PolarHBondContact O-N 3.09Å; E261-K263 VanDerWaalsContact C-N 3.31Å; E261-K263 PolarHBondContact O-N 3.38Å; K263-I265 VanDerWaalsContact C-N 3.34Å; K263-I265 PolarHBondContact O-N 3.01Å; K263-A266 PolarHBondContact O-N 3.47Å; K263-E267 WeakPolarHBondContact CE-OE1 3.48Å; K263-E267 WeakPolarHBondContact O-CB 3.35Å; K263-E267 WeakPolarHBondContact O-CG 3.49Å; K263-E267 PolarHBondContact O-N 2.86Å; K263-L321 HydrophobicContact CB-CD2 4.15Å; K263-L321 HydrophobicContact CG-CD2 4.24Å
264D98.4Very high97.5Very high46 Ų4647.8 Ų47.825%0.24624%0.242CC..Hα-helixtrans-59.2-44177.6-80.7-21.4000112.3K224 N260 E261 L268K224-D264 HydrophobicContact CB-CB 4Å; K224-D264 HydrophobicContact CD-CB 4.09Å; K224-D264 WeakPolarHBondContact CD-OD1 3.39Å; K224-D264 WeakPolarHBondContact CE-OD1 3.36Å; K224-D264 HydrophobicContact CG-CB 4.04Å; K224-D264 IonicContact NZ-OD1 3.93Å; K224-D264 PolarHBondContact NZ-OD1 3.36Å; N260-D264 PolarHBondContact O-N 3.1Å; E261-D264 PolarHBondContact O-N 3.23Å; D264-L268 VanDerWaalsContact O-CG 3.3Å; D264-L268 WeakPolarHBondContact O-CG 3.39Å; D264-L268 PolarHBondContact O-N 3.22Å; D264-L268 VanDerWaalsContact O-N 3.09Å
265I98.6Very high97.3Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-65.3-46.4177-66.2164.2000110.4Q222 L227 L251 V253 L257 E261 K262 K263 E267 L268 C269 F318Q222-I265 HydrophobicContact CB-CD1 4.3Å; L227-I265 HydrophobicContact CD2-CB 4.24Å; L227-I265 HydrophobicContact CD2-CG1 3.68Å; L227-I265 HydrophobicContact CD2-CG2 4.06Å; L251-I265 HydrophobicContact CD2-CG2 3.91Å; V253-I265 HydrophobicContact CG1-CD1 4.39Å; V253-I265 HydrophobicContact CG1-CG2 4.21Å; L257-I265 HydrophobicContact CD1-CD1 3.51Å; L257-I265 HydrophobicContact CD2-CD1 4.13Å; L257-I265 HydrophobicContact CG-CD1 4.47Å; E261-I265 WeakPolarHBondContact O-CD1 3.49Å; E261-I265 VanDerWaalsContact O-CG1 3.23Å; E261-I265 WeakPolarHBondContact O-CG1 3.35Å; E261-I265 PolarHBondContact O-N 2.86Å; K262-I265 PolarHBondContact O-N 3.47Å; K263-I265 VanDerWaalsContact C-N 3.34Å; K263-I265 PolarHBondContact O-N 3.01Å; I265-E267 VanDerWaalsContact C-N 3.34Å; I265-E267 PolarHBondContact O-N 2.6Å; I265-L268 PolarHBondContact O-N 3.07Å; I265-C269 PolarHBondContact O-N 3.39Å; I265-C269 PolarHBondContact O-SG 2.94Å; I265-F318 HydrophobicContact CB-CE1 4.01Å; I265-F318 HydrophobicContact CB-CZ 4.35Å; I265-F318 HydrophobicContact CD1-CZ 4.39Å; I265-F318 HydrophobicContact CG2-CE1 3.8Å; I265-F318 HydrophobicContact CG2-CZ 4.2Å
266A98.4Very high97.2Very high2 Ų251.3 Ų51.32%0.01726%0.258CS..Hα-helixtrans-62.2-40.9179.900000112.2K262 K263 C269 L270 F318 L321 T322K262-A266 VanDerWaalsContact O-CB 3.29Å; K262-A266 WeakPolarHBondContact O-CB 3.2Å; K262-A266 PolarHBondContact O-N 2.71Å; K263-A266 PolarHBondContact O-N 3.47Å; A266-C269 PolarHBondContact O-N 3.39Å; A266-L270 WeakPolarHBondContact O-CG 3.13Å; A266-L270 PolarHBondContact O-N 2.96Å; A266-F318 HydrophobicContact CB-CD1 4.31Å; A266-L321 HydrophobicContact CB-CB 3.55Å; A266-L321 HydrophobicContact CB-CD1 4.33Å; A266-T322 HydrophobicContact CB-CG2 3.94Å
267E98Very high97.2Very high72 Ų7251.1 Ų51.134%0.33626%0.257SS..Hα-helixtrans-58.3-51172.6-75.5173.9-177.400110.8K224 K263 I265 C269 L270 E271K224-E267 IonicContact NZ-OE2 2.75Å; K224-E267 PolarHBondContact NZ-OE2 2.6Å; K263-E267 WeakPolarHBondContact CE-OE1 3.48Å; K263-E267 WeakPolarHBondContact O-CB 3.35Å; K263-E267 WeakPolarHBondContact O-CG 3.49Å; K263-E267 PolarHBondContact O-N 2.86Å; I265-E267 VanDerWaalsContact C-N 3.34Å; I265-E267 PolarHBondContact O-N 2.6Å; E267-C269 VanDerWaalsContact C-N 3.32Å; E267-C269 PolarHBondContact O-N 2.72Å; E267-L270 PolarHBondContact O-N 2.81Å; E267-L270 VanDerWaalsContact O-N 3.07Å; E267-E271 WeakPolarHBondContact O-CG 3.41Å; E267-E271 PolarHBondContact O-N 3.01Å
268L98.3Very high97.3Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-58.9-41.5178.1-71.3172.5000112.4K224 L227 R228 L231 D264 I265 L270 E271 C274K224-L268 HydrophobicContact CG-CD1 4Å; K224-L268 HydrophobicContact CG-CG 4.37Å; L227-L268 HydrophobicContact CB-CD1 3.95Å; L227-L268 HydrophobicContact CD2-CD1 3.95Å; L227-L268 HydrophobicContact CG-CD1 4.01Å; R228-L268 HydrophobicContact CB-CD1 4.3Å; R228-L268 HydrophobicContact CB-CD2 3.73Å; R228-L268 HydrophobicContact CG-CD2 3.8Å; L231-L268 HydrophobicContact CD1-CB 4.31Å; D264-L268 VanDerWaalsContact O-CG 3.3Å; D264-L268 WeakPolarHBondContact O-CG 3.39Å; D264-L268 PolarHBondContact O-N 3.22Å; D264-L268 VanDerWaalsContact O-N 3.09Å; I265-L268 PolarHBondContact O-N 3.07Å; L268-L270 PolarHBondContact O-N 3.43Å; L268-E271 PolarHBondContact O-N 3Å; L268-E271 VanDerWaalsContact O-N 3.1Å; L268-C274 HydrophobicContact CB-CB 4.35Å; L268-C274 HydrophobicContact CD2-CB 4.45Å; L268-C274 CarbonylContact O-C 3.55Å; L268-C274 WeakPolarHBondContact O-CB 3.26Å
269C97.8Very high97.3Very high0 Ų046.8 Ų46.80%023%0.231CC..Hα-helixtrans-61.4-24.2178.5-68.80000113.5I265 A266 E267 V276 V326I265-C269 PolarHBondContact O-N 3.39Å; I265-C269 PolarHBondContact O-SG 2.94Å; A266-C269 PolarHBondContact O-N 3.39Å; E267-C269 VanDerWaalsContact C-N 3.32Å; E267-C269 PolarHBondContact O-N 2.72Å; C269-V276 HydrophobicContact CB-CG2 3.78Å; C269-V276 WeakPolarHBondContact SG-CG2 3.34Å; C269-V326 HydrophobicContact CB-CG2 4.36Å
270L96.4Very high97.3Very high66 Ų6641.3 Ų41.335%0.34621%0.207SC..Hα-helixtrans-94.5-11.7177.9-61.1172000113.1A266 E267 L268 Q325 V326A266-L270 WeakPolarHBondContact O-CG 3.13Å; A266-L270 PolarHBondContact O-N 2.96Å; E267-L270 PolarHBondContact O-N 2.81Å; E267-L270 VanDerWaalsContact O-N 3.07Å; L268-L270 PolarHBondContact O-N 3.43Å; L270-Q325 HydrophobicContact CD2-CB 4.07Å; L270-V326 HydrophobicContact CD2-CG2 3.84Å
271E96.8Very high97.4Very high46 Ų4635.8 Ų35.822%0.21518%0.177CC..SBendtrans-74.5135.7179.9-74.5-175-140.900111.3R228 E267 L268 F273 C274 H275R228-E271 IonicContact CZ-OE1 3.86Å; R228-E271 IonicContact CZ-OE2 2.67Å; R228-E271 IonicContact NH1-OE1 2.76Å; R228-E271 PolarHBondContact NH1-OE1 2.93Å; R228-E271 IonicContact NH1-OE2 3.88Å; R228-E271 PolarHBondContact NH1-OE2 2.91Å; R228-E271 IonicContact NH2-OE2 3.9Å; R228-E271 PolarHBondContact NH2-OE2 2.78Å; E267-E271 WeakPolarHBondContact O-CG 3.41Å; E267-E271 PolarHBondContact O-N 3.01Å; L268-E271 PolarHBondContact O-N 3Å; L268-E271 VanDerWaalsContact O-N 3.1Å; E271-F273 VanDerWaalsContact C-N 3.29Å; E271-F273 PolarHBondContact O-N 3.14Å; E271-F273 VanDerWaalsContact O-N 3.08Å; E271-C274 HydrophobicContact CB-CB 4.16Å; E271-C274 CarbonylContact O-C 3.56Å; E271-C274 PolarHBondContact O-N 2.65Å; E271-H275 PolarHBondContact O-N 2.74Å
272P92.9Very high97.3Very high100 Ų10033 Ų3365%0.64917%0.165SC*.THydrogen-bonded Turntrans-52.8-39.2-173.9-30.335.1000115.6H235H235-P272 PolarHBondContact CE1-O 3.38Å
273F95.3Very high97.2Very high134 Ų13433.3 Ų33.359%0.58817%0.167SC*.THydrogen-bonded Turntrans-89.7-6.7-178.6-56.9-68.7000113.9V232 H235 E271V232-F273 WeakPolarHBondContact CA-O 3.27Å; V232-F273 HydrophobicContact CG2-CB 4.39Å; H235-F273 VanDerWaalsContact CB-O 3.22Å; H235-F273 WeakPolarHBondContact CB-O 3.3Å; E271-F273 VanDerWaalsContact C-N 3.29Å; E271-F273 PolarHBondContact O-N 3.14Å; E271-F273 VanDerWaalsContact O-N 3.08Å
274C95.2Very high97.2Very high1 Ų129.6 Ų29.61%0.00715%0.152CC..THydrogen-bonded Turntrans-117.86.1177.6-61.20000112.2L231 L268 E271 V276L231-C274 HydrophobicContact CB-CB 3.83Å; L231-C274 HydrophobicContact CD1-CB 4.09Å; L231-C274 WeakPolarHBondContact CD1-O 3.44Å; L268-C274 HydrophobicContact CB-CB 4.35Å; L268-C274 HydrophobicContact CD2-CB 4.45Å; L268-C274 CarbonylContact O-C 3.55Å; L268-C274 WeakPolarHBondContact O-CB 3.26Å; E271-C274 HydrophobicContact CB-CB 4.16Å; E271-C274 CarbonylContact O-C 3.56Å; E271-C274 PolarHBondContact O-N 2.65Å; C274-V276 PolarHBondContact O-N 2.84Å
275H92.5Very high97.2Very high75 Ų7527.4 Ų27.435%0.34714%0.14SC..  trans-55.6131.1-174174.178.8000112.7R238 E271 D277R238-H275 PolarHBondContact NH1-O 2.81Å; E271-H275 PolarHBondContact O-N 2.74Å; H275-D277 IonicContact CD2-OD1 3.67Å; H275-D277 IonicContact NE2-OD1 3.41Å; H275-D277 PolarHBondContact NE2-OD1 2.82Å
276V97.2Very high97Very high1 Ų130.7 Ų30.71%0.00616%0.161CC..  trans-116.8147.2168.8-60.60000108.6L231 L249 L251 C269 C274 G278 L279 V326L231-V276 HydrophobicContact CD1-CG1 4.49Å; L231-V276 HydrophobicContact CD2-CG1 3.69Å; L249-V276 HydrophobicContact CD2-CG1 4.42Å; L249-V276 CarbonylContact O-C 3.53Å; L251-V276 HydrophobicContact CB-CG1 4.26Å; C269-V276 HydrophobicContact CB-CG2 3.78Å; C269-V276 WeakPolarHBondContact SG-CG2 3.34Å; C274-V276 PolarHBondContact O-N 2.84Å; V276-G278 VanDerWaalsContact C-N 3.3Å; V276-L279 HydrophobicContact CG2-CD2 4.43Å; V276-V326 HydrophobicContact CG2-CG1 4.42Å
277D97.6Very high96.9Very high40 Ų4033.2 Ų33.221%0.21418%0.178CC..SBendtrans-82-13.8-177-53.4-66.4000112.5F86 R238 P248 L249 H275 P327F86-D277 HydrophobicContact CD1-CB 4.44Å; F86-D277 VanDerWaalsContact CD1-O 3.32Å; F86-D277 WeakPolarHBondContact CD1-O 3.49Å; F86-D277 WeakPolarHBondContact CE1-O 3.17Å; R238-D277 IonicContact CZ-OD2 2.89Å; R238-D277 VanDerWaalsContact CZ-OD2 3.28Å; R238-D277 IonicContact NH1-OD2 3.03Å; R238-D277 PolarHBondContact NH1-OD2 2.95Å; R238-D277 IonicContact NH2-OD1 2.76Å; R238-D277 IonicContact NH2-OD2 3.34Å; R238-D277 PolarHBondContact NH2-OD2 2.88Å; P248-D277 VanDerWaalsContact CA-OD2 3.28Å; P248-D277 WeakPolarHBondContact CA-OD2 3.38Å; P248-D277 HydrophobicContact CB-CB 3.95Å; L249-D277 PolarHBondContact N-OD2 3.3Å; L249-D277 PolarHBondContact O-N 3.07Å; H275-D277 IonicContact CD2-OD1 3.67Å; H275-D277 IonicContact NE2-OD1 3.41Å; H275-D277 PolarHBondContact NE2-OD1 2.82Å; D277-P327 WeakPolarHBondContact O-CD 3.44Å
278G98.6Very high96.7Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-169.4172.4175.400000114L250 L251 V276 P327L250-G278 VanDerWaalsContact CA-O 3.26Å; L250-G278 WeakPolarHBondContact CA-O 3.4Å; L251-G278 PolarHBondContact N-O 2.75Å; V276-G278 VanDerWaalsContact C-N 3.3Å; G278-P327 CarbonylContact C-O 3.57Å; G278-P327 WeakPolarHBondContact CA-O 3.49Å
279L98.8Very high96.3Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-120.2146.3174.8-68.5171.9000110.5L251 V276 V281 F318 V326 P327 I328 I329L251-L279 HydrophobicContact CB-CD2 3.96Å; L251-L279 HydrophobicContact CD2-CD2 4.29Å; L251-L279 HydrophobicContact CG-CD2 4.47Å; L251-L279 CarbonylContact O-C 3.46Å; L251-L279 WeakPolarHBondContact O-CA 3.27Å; V276-L279 HydrophobicContact CG2-CD2 4.43Å; L279-V281 HydrophobicContact CB-CG2 3.97Å; L279-F318 HydrophobicContact CD1-CB 4.16Å; L279-F318 HydrophobicContact CD1-CD1 3.71Å; L279-F318 HydrophobicContact CD1-CE1 4.34Å; L279-F318 HydrophobicContact CD1-CG 4.03Å; L279-V326 HydrophobicContact CD1-CG1 4.24Å; L279-V326 HydrophobicContact CG-CG1 3.89Å; L279-P327 PolarHBondContact N-O 3.44Å; L279-I328 HydrophobicContact CB-CG1 4.24Å; L279-I328 CarbonylContact O-C 3.42Å; L279-I328 WeakPolarHBondContact O-CA 3.44Å; L279-I329 PolarHBondContact O-N 3.38Å
280I98.9Very high95.7Very high0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-106.9115.5160.8-66.5152.4000108E119 V207 L250 L251 K252 V253 I329 C331E119-I280 WeakPolarHBondContact OE2-CD1 3.47Å; V207-I280 HydrophobicContact CB-CD1 4.05Å; V207-I280 HydrophobicContact CG1-CD1 3.46Å; V207-I280 VanDerWaalsContact CG1-CD1 3.46Å; V207-I280 HydrophobicContact CG2-CD1 3.39Å; L250-I280 HydrophobicContact CB-CD1 4.44Å; L250-I280 HydrophobicContact CD2-CD1 4.21Å; L250-I280 HydrophobicContact CD2-CG1 4.18Å; L251-I280 PolarHBondContact O-N 3.27Å; K252-I280 HydrophobicContact CB-CB 4.04Å; K252-I280 HydrophobicContact CB-CD1 4.42Å; K252-I280 HydrophobicContact CD-CB 4.39Å; K252-I280 HydrophobicContact CD-CG2 4.02Å; K252-I280 HydrophobicContact CG-CB 3.9Å; K252-I280 HydrophobicContact CG-CG2 3.82Å; V253-I280 PolarHBondContact N-O 3.01Å; V253-I280 VanDerWaalsContact N-O 3.1Å; I280-I329 WeakPolarHBondContact CA-O 3.09Å; I280-I329 HydrophobicContact CB-CB 4.49Å; I280-I329 HydrophobicContact CG1-CB 3.79Å; I280-I329 HydrophobicContact CG1-CD1 4.04Å; I280-I329 HydrophobicContact CG1-CG1 4.12Å; I280-I329 HydrophobicContact CG1-CG2 4.39Å; I280-C331 HydrophobicContact CG2-CB 4.27Å
281V98.8Very high95.2Very high0 Ų043.3 Ų43.30%025%0.253CS..EExtended strand (participates in β ladder)trans-122.998.5-177.7-171.70000107.7V253 L279 C314 I315 F318 I328 I329 G330 C331V253-V281 HydrophobicContact CG2-CB 4.49Å; V253-V281 HydrophobicContact CG2-CG2 3.84Å; L279-V281 HydrophobicContact CB-CG2 3.97Å; V281-C314 HydrophobicContact CG1-CB 3.74Å; V281-C314 WeakPolarHBondContact CG1-SG 3.39Å; V281-I315 HydrophobicContact CB-CG1 3.82Å; V281-I315 HydrophobicContact CG1-CG1 3.78Å; V281-I315 WeakPolarHBondContact O-CG1 3.03Å; V281-F318 HydrophobicContact CG1-CD2 4.08Å; V281-F318 HydrophobicContact CG2-CB 4.43Å; V281-F318 HydrophobicContact CG2-CD2 3.82Å; V281-F318 HydrophobicContact CG2-CE2 4.43Å; V281-F318 HydrophobicContact CG2-CG 4.28Å; V281-I328 HydrophobicContact CB-CG2 3.89Å; V281-I328 HydrophobicContact CG2-CG2 3.82Å; V281-I329 PolarHBondContact N-O 3.11Å; V281-G330 CarbonylContact O-C 3.56Å; V281-G330 WeakPolarHBondContact O-CA 3.32Å; V281-C331 CarbonylContact C-O 3.55Å; V281-C331 PolarHBondContact O-N 3.08Å
282S96.8Very high95Very high1 Ų142.9 Ų42.91%0.00725%0.251CS..  cis-143.6179.913.968.20000114.3V253 P255 C331V253-S282 WeakPolarHBondContact O-CA 3.49Å; P255-S282 WeakPolarHBondContact CB-OG 3.46Å; S282-C331 PolarHBondContact N-O 3.11Å; S282-C331 WeakPolarHBondContact O-CB 3.27Å
283N98Very high95Very high22 Ų2244.4 Ų44.412%0.11825%0.253CS..  trans-74.2-172.1159.6-142.1-40.2000111.2N209 S211 S212 V253 P255N209-N283 PolarHBondContact OD1-ND2 3.31Å; S211-N283 WeakPolarHBondContact OG-CB 3.42Å; S211-N283 PolarHBondContact OG-ND2 2.86Å; S212-N283 PolarHBondContact N-ND2 2.81Å; V253-N283 PolarHBondContact O-N 3.3Å; P255-N283 VanDerWaalsContact CD-O 3.27Å; P255-N283 WeakPolarHBondContact CD-O 3.41Å; P255-N283 WeakPolarHBondContact CG-O 3.24Å
284T97.9Very high94.9Very high15 Ų1539.5 Ų39.59%0.09224%0.235CC..  trans-73.1158.3176.254.40000112.8R219 P255 G301 L302R219-T284 PolarHBondContact NH2-O 3.08Å; P255-T284 WeakPolarHBondContact CD-O 3.27Å; T284-G301 WeakPolarHBondContact OG1-CA 3.3Å; T284-L302 WeakPolarHBondContact CA-O 3.48Å; T284-L302 VanDerWaalsContact CB-O 3.28Å; T284-L302 WeakPolarHBondContact CB-O 3.49Å
285T97.3Very high94.6Very high0 Ų047.2 Ų47.20%028%0.276CS..BIsolated β-bridgetrans-97.3145.2177.2-177.90000111.6D256 S287 G301 L302 L307D256-T285 VanDerWaalsContact OD1-CB 3.27Å; D256-T285 WeakPolarHBondContact OD1-CB 3.18Å; D256-T285 PolarHBondContact OD1-OG1 2.61Å; D256-T285 WeakPolarHBondContact OD2-CA 3.25Å; T285-S287 VanDerWaalsContact OG1-CB 3.23Å; T285-S287 WeakPolarHBondContact OG1-CB 3.44Å; T285-S287 PolarHBondContact OG1-N 3.39Å; T285-S287 PolarHBondContact OG1-OG 2.95Å; T285-G301 CarbonylContact O-C 3.6Å; T285-G301 WeakPolarHBondContact O-CA 3.43Å; T285-L302 HydrophobicContact CG2-CB 3.84Å; T285-L302 HydrophobicContact CG2-CD2 4.11Å; T285-L302 HydrophobicContact CG2-CG 4.24Å; T285-L302 PolarHBondContact N-O 3.23Å; T285-L302 PolarHBondContact O-N 3.45Å; T285-L307 HydrophobicContact CG2-CD1 3.82Å
286T96Very high94.4Very high70 Ų7044.7 Ų44.743%0.42927%0.266SS..SBendtrans-88.4-12.1167.947.60000112.3P213 R219 D256 R288P213-T286 HydrophobicContact CB-CG2 3.44Å; P213-T286 VanDerWaalsContact CB-CG2 3.44Å; P213-T286 HydrophobicContact CG-CG2 4.13Å; R219-T286 PolarHBondContact NH1-OG1 2.86Å; D256-T286 PolarHBondContact OD2-N 2.9Å; D256-T286 PolarHBondContact OD2-OG1 3.23Å; T286-R288 PolarHBondContact O-NH1 3.48Å; T286-R288 VanDerWaalsContact O-NH1 3.1Å
287S94.8Very high93.8Very high54 Ų5452 Ų5238%0.37831%0.305SS..  trans-65.3155.8175.1-50.30000111.1T285T285-S287 VanDerWaalsContact OG1-CB 3.23Å; T285-S287 WeakPolarHBondContact OG1-CB 3.44Å; T285-S287 PolarHBondContact OG1-N 3.39Å; T285-S287 PolarHBondContact OG1-OG 2.95Å
288R94.8Very high93.2Very high77 Ų7753 Ų5329%0.29131%0.306SS..  trans-121.990.9168.8-59.5-62.9178.6-98.80.4107.3T286 M292 Y298 G300T286-R288 PolarHBondContact O-NH1 3.48Å; T286-R288 VanDerWaalsContact O-NH1 3.1Å; R288-M292 HydrophobicContact CB-SD 4.34Å; R288-Y298 PolarHBondContact NH2-O 3.43Å; R288-Y298 VanDerWaalsContact NH2-O 3.08Å; R288-G300 PolarHBondContact NH1-O 3.11Å; R288-G300 PolarHBondContact NH2-O 3.27Å
289P89.6Confident92.9Very high48 Ų4861.1 Ų61.131%0.31235%0.345SS..  trans-58.3145.1-175.2-25.734.8000112.5G291 M292P289-G291 PolarHBondContact O-N 3.22Å; P289-M292 WeakPolarHBondContact O-CG 3.37Å; P289-M292 PolarHBondContact O-N 3.49Å
290V85.8Confident92.8Very high157 Ų15761.5 Ų61.595%0.95235%0.349SS*.THydrogen-bonded Turntrans-59.8137.2171.3-179.80000109.2
291G86.3Confident92.7Very high68 Ų6861.5 Ų61.570%0.70135%0.349SS*.THydrogen-bonded Turntrans93.14.1-179.800000114.9P289P289-G291 PolarHBondContact O-N 3.22Å
292M92.3Very high92.7Very high38 Ų3861.5 Ų61.519%0.18735%0.349CS..  trans-57.5143.6161.6-74.8-177.160.900110.4L139 D142 R288 P289 V296 L302 P306L139-M292 HydrophobicContact CD1-CE 3.44Å; L139-M292 VanDerWaalsContact CD1-CE 3.44Å; D142-M292 WeakPolarHBondContact OD1-CA 3.34Å; R288-M292 HydrophobicContact CB-SD 4.34Å; P289-M292 WeakPolarHBondContact O-CG 3.37Å; P289-M292 PolarHBondContact O-N 3.49Å; M292-V296 HydrophobicContact CE-CG2 4.01Å; M292-L302 HydrophobicContact CE-CD1 4.09Å; M292-L302 HydrophobicContact CE-CD2 4.13Å; M292-L302 HydrophobicContact SD-CD2 3.63Å; M292-P306 HydrophobicContact CG-CB 4.38Å; M292-P306 HydrophobicContact CG-CG 4.42Å
293L93Very high92.7Very high132 Ų13262.1 Ų62.169%0.69135%0.353SS*.SBendtrans-84.7-32.7179.8-63177.5000111.9A141 D142A141-L293 HydrophobicContact CB-CB 3.73Å; A141-L293 HydrophobicContact CB-CD1 3.96Å; A141-L293 WeakPolarHBondContact O-CD1 3.46Å; D142-L293 PolarHBondContact OD1-N 2.96Å
294S92.9Very high92.7Very high30 Ų3061.1 Ų61.121%0.2135%0.347CS..SBendtrans-86.2135174.4-50.80000110.7D142D142-S294 WeakPolarHBondContact OD2-CB 3.39Å; D142-S294 PolarHBondContact OD2-N 3.06Å; D142-S294 PolarHBondContact OD2-OG 2.8Å
295D88.3Confident92.7Very high163 Ų16362.8 Ų62.887%0.87236%0.359SS*.  trans-76.7132.6161.6-167.110.8000109.2
296V89Confident92.7Very high22 Ų2264.2 Ų64.213%0.13337%0.368CS..  trans-136.3113.9-170.61790000109.7L139 I146 M292 Y298L139-V296 HydrophobicContact CD1-CG2 3.86Å; L139-V296 HydrophobicContact CD2-CG2 3.86Å; I146-V296 HydrophobicContact CD1-CB 4.27Å; I146-V296 HydrophobicContact CD1-CG1 3.3Å; I146-V296 HydrophobicContact CD1-CG2 4.03Å; M292-V296 HydrophobicContact CE-CG2 4.01Å; V296-Y298 HydrophobicContact CG1-CD1 4.31Å; V296-Y298 HydrophobicContact CG1-CD2 4.24Å; V296-Y298 HydrophobicContact CG1-CE1 4.09Å; V296-Y298 HydrophobicContact CG1-CE2 4.04Å; V296-Y298 HydrophobicContact CG1-CG 4.37Å
297D84.5Confident92.8Very high154 Ų15461 Ų6182%0.82435%0.348SS*.  trans-106.4-5-179.363.3-15000114
298Y85.8Confident92.9Very high61 Ų6159.8 Ų59.824%0.23934%0.336CS..SBendtrans-103.4152.4-176.752.3-93.7000114.6H137 L139 I146 R288 V296H137-Y298 HydrophobicContact CB-CE2 3.58Å; H137-Y298 WeakPolarHBondContact CB-OH 3.42Å; H137-Y298 AromaticContact CD2-CD2 3.72Å; H137-Y298 AromaticContact CD2-CE2 3.44Å; H137-Y298 VanDerWaalsContact CD2-CE2 3.44Å; H137-Y298 WeakPolarHBondContact CD2-CE2 3.13Å; H137-Y298 AromaticContact CG-CE2 3.4Å; H137-Y298 AromaticContact CG-CZ 3.64Å; H137-Y298 AromaticContact ND1-CZ 4Å; L139-Y298 WeakPolarHBondContact CD2-OH 3.46Å; I146-Y298 HydrophobicContact CB-CD2 4.49Å; I146-Y298 HydrophobicContact CB-CE2 3.77Å; I146-Y298 HydrophobicContact CD1-CD2 4.43Å; I146-Y298 HydrophobicContact CD1-CE2 3.71Å; I146-Y298 HydrophobicContact CG1-CE2 4.34Å; I146-Y298 HydrophobicContact CG2-CD2 3.87Å; I146-Y298 HydrophobicContact CG2-CE2 3.64Å; R288-Y298 PolarHBondContact NH2-O 3.43Å; R288-Y298 VanDerWaalsContact NH2-O 3.08Å; V296-Y298 HydrophobicContact CG1-CD1 4.31Å; V296-Y298 HydrophobicContact CG1-CD2 4.24Å; V296-Y298 HydrophobicContact CG1-CE1 4.09Å; V296-Y298 HydrophobicContact CG1-CE2 4.04Å; V296-Y298 HydrophobicContact CG1-CG 4.37Å
299E91.3Very high93Very high172 Ų17262.8 Ų62.880%0.80435%0.354SS*.  trans-72.2157179.9-63.3-166.4151.300113H148H148-E299 PolarHBondContact ND1-O 3.44Å
300G95.8Very high93.4Very high8 Ų863.2 Ų63.28%0.08235%0.353CS..SBendtrans134.1171.4173.400000113.2N147 R288N147-G300 WeakPolarHBondContact O-CA 3.47Å; R288-G300 PolarHBondContact NH1-O 3.11Å; R288-G300 PolarHBondContact NH2-O 3.27Å
301G97.6Very high94Very high0 Ų055.7 Ų55.70%031%0.308CS..EExtended strand (participates in β ladder)trans-82.4117.4179.600000112.8I146 N147 T284 T285I146-G301 WeakPolarHBondContact CA-O 3.36Å; N147-G301 PolarHBondContact N-O 2.81Å; N147-G301 VanDerWaalsContact N-O 3.1Å; N147-G301 PolarHBondContact ND2-O 3.37Å; N147-G301 PolarHBondContact O-N 2.65Å; T284-G301 WeakPolarHBondContact OG1-CA 3.3Å; T285-G301 CarbonylContact O-C 3.6Å; T285-G301 WeakPolarHBondContact O-CA 3.43Å
302L97.9Very high94.5Very high0 Ų053.4 Ų53.40%028%0.28CS..EExtended strand (participates in β ladder)trans-77.6137.7172.5178.467.8000111.4L139 A144 L145 I146 T284 T285 M292 P306L139-L302 HydrophobicContact CD1-CD1 3.87Å; A144-L302 HydrophobicContact CB-CD1 3.96Å; L145-L302 CarbonylContact O-C 3.59Å; L145-L302 WeakPolarHBondContact O-CA 3.22Å; I146-L302 HydrophobicContact CD1-CD1 4.25Å; I146-L302 HydrophobicContact CG1-CB 4.17Å; I146-L302 HydrophobicContact CG1-CD1 3.73Å; T284-L302 WeakPolarHBondContact CA-O 3.48Å; T284-L302 VanDerWaalsContact CB-O 3.28Å; T284-L302 WeakPolarHBondContact CB-O 3.49Å; T285-L302 HydrophobicContact CG2-CB 3.84Å; T285-L302 HydrophobicContact CG2-CD2 4.11Å; T285-L302 HydrophobicContact CG2-CG 4.24Å; T285-L302 PolarHBondContact N-O 3.23Å; T285-L302 PolarHBondContact O-N 3.45Å; M292-L302 HydrophobicContact CE-CD1 4.09Å; M292-L302 HydrophobicContact CE-CD2 4.13Å; M292-L302 HydrophobicContact SD-CD2 3.63Å; L302-P306 HydrophobicContact CD2-CB 3.94Å; L302-P306 HydrophobicContact CG-CB 4.49Å
303S98.2Very high94.8Very high13 Ų1355 Ų559%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-142.3166.9179.266.30000110.3A144 L145 T355A144-S303 VanDerWaalsContact CA-O 3.27Å; A144-S303 WeakPolarHBondContact CA-O 3.19Å; A144-S303 WeakPolarHBondContact CB-O 3.26Å; L145-S303 WeakPolarHBondContact CB-OG 3.31Å; L145-S303 PolarHBondContact N-O 3.41Å; L145-S303 VanDerWaalsContact N-O 3.11Å; L145-S303 PolarHBondContact O-N 2.67Å; L145-S303 PolarHBondContact O-OG 2.9Å; L145-S303 VanDerWaalsContact O-OG 3.05Å; S303-T355 PolarHBondContact OG-OG1 2.83Å
304G98.1Very high95.1Very high1 Ų148.8 Ų48.81%0.0125%0.254CS..SBendtrans100.5-165.5-17700000112P306 L307 G333 T355G304-P306 VanDerWaalsContact C-N 3.31Å; G304-L307 WeakPolarHBondContact O-CB 3.33Å; G304-L307 PolarHBondContact O-N 3.46Å; G304-G333 WeakPolarHBondContact O-CA 3.27Å; G304-T355 PolarHBondContact N-OG1 3.31Å
305P97.6Very high95.4Very high50 Ų5047.3 Ų47.333%0.32524%0.244SC..G310 helixtrans-50.7-38.3-175.4-26.534.3000115.2R143 L307 Q308R143-P305 HydrophobicContact CB-CG 4.29Å; R143-P305 WeakPolarHBondContact O-CD 3.29Å; P305-L307 PolarHBondContact O-N 2.94Å; P305-Q308 WeakPolarHBondContact O-CB 3.46Å; P305-Q308 PolarHBondContact O-N 2.91Å
306P97.3Very high95.9Very high31 Ų3141.4 Ų41.420%0.20121%0.211CC..G310 helixtrans-58.9-22.2176.5-27.536.8000114.9D142 A144 M292 L302 G304D142-P306 HydrophobicContact CB-CG 4.19Å; A144-P306 HydrophobicContact CB-CG 4.08Å; M292-P306 HydrophobicContact CG-CB 4.38Å; M292-P306 HydrophobicContact CG-CG 4.42Å; L302-P306 HydrophobicContact CD2-CB 3.94Å; L302-P306 HydrophobicContact CG-CB 4.49Å; G304-P306 VanDerWaalsContact C-N 3.31Å
307L97.1Very high96.3Very high3 Ų341.2 Ų41.22%0.01621%0.209CC..G310 helixtrans-87.7-11.2177.5178.359.5000113.1P255 T285 G304 P305 H309 L310 S311P255-L307 HydrophobicContact CB-CD1 4.02Å; P255-L307 HydrophobicContact CG-CD1 3.81Å; T285-L307 HydrophobicContact CG2-CD1 3.82Å; G304-L307 WeakPolarHBondContact O-CB 3.33Å; G304-L307 PolarHBondContact O-N 3.46Å; P305-L307 PolarHBondContact O-N 2.94Å; L307-H309 PolarHBondContact O-N 3.49Å; L307-L310 HydrophobicContact CD1-CB 4.37Å; L307-L310 HydrophobicContact CD1-CD2 4.19Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-S311 WeakPolarHBondContact O-CB 3.39Å; L307-S311 PolarHBondContact O-N 3.5Å; L307-S311 PolarHBondContact O-OG 3.01Å
308Q97.6Very high97Very high27 Ų2733.9 Ų33.913%0.12617%0.17CC..Hα-helixtrans-54.5-55.9-169.7-165.9-80.55.700111.4P305 S311 T312 G333 D339 E342P305-Q308 WeakPolarHBondContact O-CB 3.46Å; P305-Q308 PolarHBondContact O-N 2.91Å; Q308-S311 PolarHBondContact O-N 3.42Å; Q308-S311 PolarHBondContact O-OG 3.39Å; Q308-T312 WeakPolarHBondContact O-CB 3.3Å; Q308-T312 PolarHBondContact O-N 3.3Å; Q308-T312 PolarHBondContact O-OG1 2.71Å; Q308-G333 WeakPolarHBondContact CG-O 3.35Å; Q308-D339 HydrophobicContact CG-CB 4.42Å; Q308-D339 PolarHBondContact NE2-OD1 3.34Å; Q308-D339 VanDerWaalsContact NE2-OD1 3.13Å; Q308-E342 PolarHBondContact NE2-OE2 3.29Å
309H97Very high97.6Very high141 Ų14133.1 Ų33.165%0.65317%0.167SC*.Hα-helixtrans-64-49.5-174.6178.670.9000111.9L307 S311 T312 Q313L307-H309 PolarHBondContact O-N 3.49Å; H309-S311 PolarHBondContact O-N 2.93Å; H309-T312 PolarHBondContact O-N 2.91Å; H309-Q313 PolarHBondContact O-N 3.38Å
310L97.5Very high97.9Very high56 Ų5628.8 Ų28.829%0.29314%0.143SC..Hα-helixtrans-60.3-44.9-178.7179.265.1000111.8P255 L307 C314P255-L310 HydrophobicContact CB-CD2 3.87Å; P255-L310 HydrophobicContact CB-CG 3.93Å; P255-L310 HydrophobicContact CG-CD2 4.34Å; L307-L310 HydrophobicContact CD1-CB 4.37Å; L307-L310 HydrophobicContact CD1-CD2 4.19Å; L307-L310 PolarHBondContact O-N 2.85Å; L310-C314 WeakPolarHBondContact O-CB 3.27Å; L310-C314 PolarHBondContact O-N 2.84Å
311S98.3Very high98Very high0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-69-37.7178.658.20000112.3L307 Q308 H309 C314 I315 C331 G332 K343L307-S311 WeakPolarHBondContact O-CB 3.39Å; L307-S311 PolarHBondContact O-N 3.5Å; L307-S311 PolarHBondContact O-OG 3.01Å; Q308-S311 PolarHBondContact O-N 3.42Å; Q308-S311 PolarHBondContact O-OG 3.39Å; H309-S311 PolarHBondContact O-N 2.93Å; S311-C314 PolarHBondContact O-N 3.1Å; S311-I315 VanDerWaalsContact O-CG1 3.31Å; S311-I315 WeakPolarHBondContact O-CG1 3.41Å; S311-I315 PolarHBondContact O-N 3.33Å; S311-C331 WeakPolarHBondContact CB-O 3.34Å; S311-G332 PolarHBondContact OG-O 3.37Å; S311-K343 PolarHBondContact OG-NZ 3.22Å
312T98.6Very high98Very high20 Ų2030.4 Ų30.412%0.12315%0.149CC..Hα-helixtrans-65.9-41.7175.6-60.90000111.9Q308 H309 C314 I315 K316 K343 A346Q308-T312 WeakPolarHBondContact O-CB 3.3Å; Q308-T312 PolarHBondContact O-N 3.3Å; Q308-T312 PolarHBondContact O-OG1 2.71Å; H309-T312 PolarHBondContact O-N 2.91Å; T312-C314 VanDerWaalsContact C-N 3.34Å; T312-C314 PolarHBondContact O-N 3.01Å; T312-I315 WeakPolarHBondContact O-CB 3.33Å; T312-I315 PolarHBondContact O-N 3.47Å; T312-K316 PolarHBondContact O-N 2.95Å; T312-K316 VanDerWaalsContact O-N 3.08Å; T312-K343 WeakPolarHBondContact OG1-CG 3.4Å; T312-K343 PolarHBondContact OG1-NZ 2.85Å; T312-A346 HydrophobicContact CG2-CB 3.86Å
313Q98.1Very high98Very high72 Ų7238.7 Ų38.734%0.33619%0.185SC..Hα-helixtrans-63.9-41.1173.6-175.6584500111.5H309 I315 K316 D317H309-Q313 PolarHBondContact O-N 3.38Å; Q313-I315 VanDerWaalsContact C-N 3.33Å; Q313-I315 PolarHBondContact O-N 3.06Å; Q313-K316 WeakPolarHBondContact O-CB 3.37Å; Q313-K316 PolarHBondContact O-N 3.5Å; Q313-K316 VanDerWaalsContact O-N 3.15Å; Q313-D317 PolarHBondContact NE2-OD1 3.26Å; Q313-D317 VanDerWaalsContact O-CG 3.27Å; Q313-D317 PolarHBondContact O-N 3.23Å
314C98.5Very high97.9Very high0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-60.7-41.2176.2-166.10000112.1V281 L310 S311 T312 K316 D317 F318V281-C314 HydrophobicContact CG1-CB 3.74Å; V281-C314 WeakPolarHBondContact CG1-SG 3.39Å; L310-C314 WeakPolarHBondContact O-CB 3.27Å; L310-C314 PolarHBondContact O-N 2.84Å; S311-C314 PolarHBondContact O-N 3.1Å; T312-C314 VanDerWaalsContact C-N 3.34Å; T312-C314 PolarHBondContact O-N 3.01Å; C314-K316 VanDerWaalsContact C-N 3.34Å; C314-K316 PolarHBondContact O-N 3.45Å; C314-D317 PolarHBondContact O-N 3.27Å; C314-F318 WeakPolarHBondContact O-CD2 3.15Å; C314-F318 PolarHBondContact O-N 3.47Å
315I98.8Very high97.9Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-57.9-48.3172.9-69.7161.1000110.3V281 S311 T312 Q313 D317 F318 Y319 I328 K343 A346 A348V281-I315 HydrophobicContact CB-CG1 3.82Å; V281-I315 HydrophobicContact CG1-CG1 3.78Å; V281-I315 WeakPolarHBondContact O-CG1 3.03Å; S311-I315 VanDerWaalsContact O-CG1 3.31Å; S311-I315 WeakPolarHBondContact O-CG1 3.41Å; S311-I315 PolarHBondContact O-N 3.33Å; T312-I315 WeakPolarHBondContact O-CB 3.33Å; T312-I315 PolarHBondContact O-N 3.47Å; Q313-I315 VanDerWaalsContact C-N 3.33Å; Q313-I315 PolarHBondContact O-N 3.06Å; I315-D317 VanDerWaalsContact C-N 3.34Å; I315-D317 PolarHBondContact O-N 3.44Å; I315-F318 PolarHBondContact O-N 3.12Å; I315-Y319 WeakPolarHBondContact O-CB 3.24Å; I315-Y319 PolarHBondContact O-N 3.07Å; I315-I328 HydrophobicContact CG1-CG2 4.22Å; I315-I328 HydrophobicContact CG2-CG2 4.24Å; I315-K343 HydrophobicContact CD1-CB 4.11Å; I315-K343 HydrophobicContact CD1-CD 3.83Å; I315-K343 HydrophobicContact CD1-CG 3.84Å; I315-A346 HydrophobicContact CB-CB 4.3Å; I315-A346 HydrophobicContact CG2-CB 3.88Å; I315-A348 HydrophobicContact CD1-CB 4.4Å; I315-A348 HydrophobicContact CG2-CB 4.12Å
316K98.5Very high97.9Very high38 Ų3843.3 Ų43.317%0.16521%0.21CC..Hα-helixtrans-59.4-43.9179.9-167178.4-177.1-179.40112T312 Q313 C314 Y319 R320 A346 D391T312-K316 PolarHBondContact O-N 2.95Å; T312-K316 VanDerWaalsContact O-N 3.08Å; Q313-K316 WeakPolarHBondContact O-CB 3.37Å; Q313-K316 PolarHBondContact O-N 3.5Å; Q313-K316 VanDerWaalsContact O-N 3.15Å; C314-K316 VanDerWaalsContact C-N 3.34Å; C314-K316 PolarHBondContact O-N 3.45Å; K316-Y319 PolarHBondContact O-N 2.94Å; K316-R320 WeakPolarHBondContact O-CB 3.47Å; K316-R320 WeakPolarHBondContact O-CG 3.27Å; K316-R320 PolarHBondContact O-N 3.34Å; K316-A346 WeakPolarHBondContact CA-O 3.45Å; K316-A346 HydrophobicContact CB-CB 4.18Å; K316-D391 VanDerWaalsContact CE-O 3.23Å; K316-D391 WeakPolarHBondContact CE-O 3.35Å; K316-D391 PolarHBondContact NZ-O 3.2Å
317D98.5Very high98Very high18 Ų1843.6 Ų43.610%0.09621%0.211CC..Hα-helixtrans-61.8-51.9178.3-64.3-19.5000111.1K262 Q313 C314 I315 Y319 R320 L321K262-D317 HydrophobicContact CD-CB 3.94Å; K262-D317 IonicContact NZ-OD2 3.87Å; K262-D317 PolarHBondContact NZ-OD2 3.01Å; Q313-D317 PolarHBondContact NE2-OD1 3.26Å; Q313-D317 VanDerWaalsContact O-CG 3.27Å; Q313-D317 PolarHBondContact O-N 3.23Å; C314-D317 PolarHBondContact O-N 3.27Å; I315-D317 VanDerWaalsContact C-N 3.34Å; I315-D317 PolarHBondContact O-N 3.44Å; D317-Y319 VanDerWaalsContact C-N 3.33Å; D317-Y319 PolarHBondContact O-N 3.2Å; D317-R320 PolarHBondContact O-N 3.19Å; D317-L321 WeakPolarHBondContact O-CB 3.47Å; D317-L321 WeakPolarHBondContact O-CD1 3.31Å; D317-L321 WeakPolarHBondContact O-CG 3.22Å; D317-L321 PolarHBondContact O-N 3.15Å
318F98.7Very high98Very high0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-63.2-38.6179-85.4-67.8000112.5V253 L257 K262 I265 A266 L279 V281 C314 I315 L321 T322 I328V253-F318 HydrophobicContact CB-CE2 4.49Å; V253-F318 HydrophobicContact CB-CZ 4.44Å; V253-F318 HydrophobicContact CG1-CZ 4.47Å; V253-F318 HydrophobicContact CG2-CD2 4.36Å; V253-F318 HydrophobicContact CG2-CE2 3.65Å; V253-F318 HydrophobicContact CG2-CZ 3.98Å; L257-F318 HydrophobicContact CD1-CE2 4.24Å; L257-F318 HydrophobicContact CD1-CZ 3.98Å; K262-F318 HydrophobicContact CB-CE1 4.25Å; K262-F318 HydrophobicContact CB-CE2 4.38Å; K262-F318 HydrophobicContact CB-CZ 4.01Å; K262-F318 HydrophobicContact CG-CE2 3.91Å; K262-F318 HydrophobicContact CG-CZ 3.91Å; I265-F318 HydrophobicContact CB-CE1 4.01Å; I265-F318 HydrophobicContact CB-CZ 4.35Å; I265-F318 HydrophobicContact CD1-CZ 4.39Å; I265-F318 HydrophobicContact CG2-CE1 3.8Å; I265-F318 HydrophobicContact CG2-CZ 4.2Å; A266-F318 HydrophobicContact CB-CD1 4.31Å; L279-F318 HydrophobicContact CD1-CB 4.16Å; L279-F318 HydrophobicContact CD1-CD1 3.71Å; L279-F318 HydrophobicContact CD1-CE1 4.34Å; L279-F318 HydrophobicContact CD1-CG 4.03Å; V281-F318 HydrophobicContact CG1-CD2 4.08Å; V281-F318 HydrophobicContact CG2-CB 4.43Å; V281-F318 HydrophobicContact CG2-CD2 3.82Å; V281-F318 HydrophobicContact CG2-CE2 4.43Å; V281-F318 HydrophobicContact CG2-CG 4.28Å; C314-F318 WeakPolarHBondContact O-CD2 3.15Å; C314-F318 PolarHBondContact O-N 3.47Å; I315-F318 PolarHBondContact O-N 3.12Å; F318-L321 PolarHBondContact O-N 2.87Å; F318-T322 WeakPolarHBondContact O-CB 3.3Å; F318-T322 VanDerWaalsContact O-CG2 3.31Å; F318-T322 WeakPolarHBondContact O-CG2 3.44Å; F318-T322 PolarHBondContact O-N 2.82Å; F318-T322 PolarHBondContact O-OG1 3.14Å; F318-I328 HydrophobicContact CB-CD1 3.96Å
319Y98.5Very high98.1Very high46 Ų4642.2 Ų42.218%0.1821%0.205CC..Hα-helixtrans-62.2-45.4176.2-174.1-91.8000111.4I315 K316 D317 T322 K323 G324 I328 G347 I388 S392I315-Y319 WeakPolarHBondContact O-CB 3.24Å; I315-Y319 PolarHBondContact O-N 3.07Å; K316-Y319 PolarHBondContact O-N 2.94Å; D317-Y319 VanDerWaalsContact C-N 3.33Å; D317-Y319 PolarHBondContact O-N 3.2Å; Y319-T322 PolarHBondContact O-OG1 2.91Å; Y319-K323 WeakPolarHBondContact O-CA 3.29Å; Y319-K323 PolarHBondContact O-N 2.9Å; Y319-G324 PolarHBondContact O-N 2.76Å; Y319-I328 HydrophobicContact CD2-CD1 4.46Å; Y319-G347 VanDerWaalsContact CD2-CA 3.41Å; Y319-G347 VanDerWaalsContact CD2-O 3.3Å; Y319-G347 WeakPolarHBondContact CD2-O 3.43Å; Y319-I388 HydrophobicContact CE2-CG2 4.06Å; Y319-S392 WeakPolarHBondContact CD1-OG 3.26Å
320R98.3Very high98.2Very high81 Ų8135.5 Ų35.531%0.30617%0.174SC..Hα-helixtrans-63.7-48.1175.6-75.9178.1167.8-177.6-3.2111.9K316 D317 T322 K323 K394 D396K316-R320 WeakPolarHBondContact O-CB 3.47Å; K316-R320 WeakPolarHBondContact O-CG 3.27Å; K316-R320 PolarHBondContact O-N 3.34Å; D317-R320 PolarHBondContact O-N 3.19Å; R320-T322 VanDerWaalsContact C-N 3.35Å; R320-T322 PolarHBondContact O-N 3.18Å; R320-K323 PolarHBondContact O-N 3.3Å; R320-K323 VanDerWaalsContact O-N 3.09Å; R320-K394 PolarHBondContact NH2-O 3.07Å; R320-D396 IonicContact CZ-OD2 2.74Å; R320-D396 IonicContact NH1-OD2 3.79Å; R320-D396 PolarHBondContact NH1-OD2 3.24Å; R320-D396 IonicContact NH2-OD1 3.61Å; R320-D396 IonicContact NH2-OD2 3.65Å; R320-D396 PolarHBondContact NH2-OD2 3.22Å
321L98.2Very high98.3Very high41 Ų4133.6 Ų33.622%0.21517%0.165CC..Hα-helixtrans-64-38.3-177.8-71.5165.6000112.4F259 K262 K263 A266 D317 F318 K323F259-L321 HydrophobicContact CZ-CD2 4.11Å; K262-L321 HydrophobicContact CB-CD1 3.8Å; K263-L321 HydrophobicContact CB-CD2 4.15Å; K263-L321 HydrophobicContact CG-CD2 4.24Å; A266-L321 HydrophobicContact CB-CB 3.55Å; A266-L321 HydrophobicContact CB-CD1 4.33Å; D317-L321 WeakPolarHBondContact O-CB 3.47Å; D317-L321 WeakPolarHBondContact O-CD1 3.31Å; D317-L321 WeakPolarHBondContact O-CG 3.22Å; D317-L321 PolarHBondContact O-N 3.15Å; F318-L321 PolarHBondContact O-N 2.87Å; L321-K323 VanDerWaalsContact C-N 3.29Å
322T97.9Very high98.2Very high0 Ų034 Ų340%017%0.169CC..THydrogen-bonded Turntrans-84.2-4.1175.961.90000113.4A266 F318 Y319 R320 G324 Q325 V326A266-T322 HydrophobicContact CB-CG2 3.94Å; F318-T322 WeakPolarHBondContact O-CB 3.3Å; F318-T322 VanDerWaalsContact O-CG2 3.31Å; F318-T322 WeakPolarHBondContact O-CG2 3.44Å; F318-T322 PolarHBondContact O-N 2.82Å; F318-T322 PolarHBondContact O-OG1 3.14Å; Y319-T322 PolarHBondContact O-OG1 2.91Å; R320-T322 VanDerWaalsContact C-N 3.35Å; R320-T322 PolarHBondContact O-N 3.18Å; T322-G324 PolarHBondContact O-N 3.2Å; T322-Q325 WeakPolarHBondContact O-CB 3.16Å; T322-Q325 PolarHBondContact O-N 2.87Å; T322-Q325 VanDerWaalsContact O-N 3.11Å; T322-Q325 PolarHBondContact O-NE2 3.03Å; T322-Q325 VanDerWaalsContact O-NE2 3.14Å; T322-V326 HydrophobicContact CG2-CB 4.03Å; T322-V326 HydrophobicContact CG2-CG2 3.91Å
323K97Very high98.2Very high174 Ų17433.3 Ų33.376%0.75717%0.166SC*.THydrogen-bonded Turntrans54.534.2-174.1-51.8175.7-176.5175.50112.4Y319 R320 L321 Q325Y319-K323 WeakPolarHBondContact O-CA 3.29Å; Y319-K323 PolarHBondContact O-N 2.9Å; R320-K323 PolarHBondContact O-N 3.3Å; R320-K323 VanDerWaalsContact O-N 3.09Å; L321-K323 VanDerWaalsContact C-N 3.29Å; K323-Q325 PolarHBondContact O-N 2.82Å
324G96.9Very high98.2Very high31 Ų3130.2 Ų30.232%0.3215%0.152SC..THydrogen-bonded Turntrans68.68.2-177.700000115.6Y319 T322 V326Y319-G324 PolarHBondContact O-N 2.76Å; T322-G324 PolarHBondContact O-N 3.2Å; G324-V326 VanDerWaalsContact C-N 3.34Å
325Q96.9Very high98.2Very high127 Ų12731.3 Ų31.359%0.59316%0.16SC*.  trans-76.1-22.5-178.6-67.5172.889.800113.4L270 T322 K323L270-Q325 HydrophobicContact CD2-CB 4.07Å; T322-Q325 WeakPolarHBondContact O-CB 3.16Å; T322-Q325 PolarHBondContact O-N 2.87Å; T322-Q325 VanDerWaalsContact O-N 3.11Å; T322-Q325 PolarHBondContact O-NE2 3.03Å; T322-Q325 VanDerWaalsContact O-NE2 3.14Å; K323-Q325 PolarHBondContact O-N 2.82Å
326V98Very high98.2Very high4 Ų432.8 Ų32.82%0.02417%0.17CC..SBendtrans-109110179.8-175.30000108.1C269 L270 V276 L279 T322 G324C269-V326 HydrophobicContact CB-CG2 4.36Å; L270-V326 HydrophobicContact CD2-CG2 3.84Å; V276-V326 HydrophobicContact CG2-CG1 4.42Å; L279-V326 HydrophobicContact CD1-CG1 4.24Å; L279-V326 HydrophobicContact CG-CG1 3.89Å; T322-V326 HydrophobicContact CG2-CB 4.03Å; T322-V326 HydrophobicContact CG2-CG2 3.91Å; G324-V326 VanDerWaalsContact C-N 3.34Å
327P98.4Very high98.2Very high36 Ų3631 Ų3123%0.23416%0.162CC..  trans-59.2142.1177.9-21.730.1000112.3V85 F86 D277 G278 L279V85-P327 HydrophobicContact CG1-CB 3.53Å; V85-P327 HydrophobicContact CG1-CG 4.01Å; F86-P327 HydrophobicContact CD1-CB 4.47Å; F86-P327 HydrophobicContact CD1-CG 4.34Å; F86-P327 HydrophobicContact CE1-CB 3.7Å; F86-P327 HydrophobicContact CE1-CG 3.99Å; F86-P327 HydrophobicContact CZ-CB 4.19Å; D277-P327 WeakPolarHBondContact O-CD 3.44Å; G278-P327 CarbonylContact C-O 3.57Å; G278-P327 WeakPolarHBondContact CA-O 3.49Å; L279-P327 PolarHBondContact N-O 3.44Å
328I98.9Very high98.2Very high1 Ų136.3 Ų36.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-116.1129.4-176.1-63.8165.1000110L279 V281 I315 F318 Y319 A348 S349 L350L279-I328 HydrophobicContact CB-CG1 4.24Å; L279-I328 CarbonylContact O-C 3.42Å; L279-I328 WeakPolarHBondContact O-CA 3.44Å; V281-I328 HydrophobicContact CB-CG2 3.89Å; V281-I328 HydrophobicContact CG2-CG2 3.82Å; I315-I328 HydrophobicContact CG1-CG2 4.22Å; I315-I328 HydrophobicContact CG2-CG2 4.24Å; F318-I328 HydrophobicContact CB-CD1 3.96Å; Y319-I328 HydrophobicContact CD2-CD1 4.46Å; I328-A348 HydrophobicContact CG2-CB 4.49Å; I328-A348 CarbonylContact O-C 3.58Å; I328-A348 WeakPolarHBondContact O-CA 3.25Å; I328-S349 PolarHBondContact O-N 3.39Å; I328-L350 PolarHBondContact O-N 3.33Å
329I98.9Very high98.2Very high0 Ų037.6 Ų37.60%019%0.191CC..EExtended strand (participates in β ladder)trans-88.5112161.3-50.4-166.9000107.7F86 F117 L250 L279 I280 V281 L350 Q352F86-I329 HydrophobicContact CE2-CD1 4.34Å; F86-I329 HydrophobicContact CZ-CG1 4.39Å; F117-I329 HydrophobicContact CE2-CD1 4.14Å; F117-I329 HydrophobicContact CE2-CG2 4.2Å; F117-I329 HydrophobicContact CZ-CD1 4.46Å; F117-I329 HydrophobicContact CZ-CG2 3.98Å; L250-I329 HydrophobicContact CD2-CD1 3.51Å; L250-I329 HydrophobicContact CD2-CG1 4.06Å; L279-I329 PolarHBondContact O-N 3.38Å; I280-I329 WeakPolarHBondContact CA-O 3.09Å; I280-I329 HydrophobicContact CB-CB 4.49Å; I280-I329 HydrophobicContact CG1-CB 3.79Å; I280-I329 HydrophobicContact CG1-CD1 4.04Å; I280-I329 HydrophobicContact CG1-CG1 4.12Å; I280-I329 HydrophobicContact CG1-CG2 4.39Å; V281-I329 PolarHBondContact N-O 3.11Å; I329-L350 CarbonylContact C-O 3.49Å; I329-L350 WeakPolarHBondContact CA-O 3.2Å; I329-L350 HydrophobicContact CB-CB 4.38Å; I329-L350 HydrophobicContact CD1-CD1 4.12Å; I329-L350 HydrophobicContact CG1-CB 4.06Å; I329-L350 HydrophobicContact CG1-CD1 4.14Å; I329-L350 HydrophobicContact CG2-CB 4.17Å; I329-Q352 HydrophobicContact CG2-CB 4.29Å; I329-Q352 HydrophobicContact CG2-CG 3.64Å
330G98.9Very high98.3Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-79.9122.5178.400000112V281 L350 L351 Q352V281-G330 CarbonylContact O-C 3.56Å; V281-G330 WeakPolarHBondContact O-CA 3.32Å; G330-L350 PolarHBondContact N-O 3.24Å; G330-L351 CarbonylContact O-C 3.52Å; G330-L351 VanDerWaalsContact O-CA 3.29Å; G330-L351 WeakPolarHBondContact O-CA 3.35Å; G330-Q352 PolarHBondContact O-N 2.98Å
331C98.6Very high98.3Very high16 Ų1632 Ų3211%0.10817%0.17CC..EExtended strand (participates in β ladder)trans-135139.6-178.8-177.40000110.2I280 V281 S282 S311 Q352I280-C331 HydrophobicContact CG2-CB 4.27Å; V281-C331 CarbonylContact C-O 3.55Å; V281-C331 PolarHBondContact O-N 3.08Å; S282-C331 PolarHBondContact N-O 3.11Å; S282-C331 WeakPolarHBondContact O-CB 3.27Å; S311-C331 WeakPolarHBondContact CB-O 3.34Å; C331-Q352 HydrophobicContact CB-CB 3.92Å
332G98Very high98.3Very high9 Ų933 Ų339%0.09317%0.174CC..SBendtrans119.2116.7173.800000113.9S311 I334 K343S311-G332 PolarHBondContact OG-O 3.37Å; G332-I334 PolarHBondContact O-N 3.39Å; G332-K343 WeakPolarHBondContact O-CE 3.37Å; G332-K343 PolarHBondContact O-NZ 3.13Å
333G97.9Very high98.4Very high6 Ų633 Ų336%0.06217%0.174CC..  trans69.225.617200000116.3G304 Q308 S335G304-G333 WeakPolarHBondContact O-CA 3.27Å; Q308-G333 WeakPolarHBondContact CG-O 3.35Å; G333-S335 PolarHBondContact O-N 2.97Å
334I98.8Very high98.4Very high7 Ų724.7 Ų24.74%0.03614%0.138CC..  trans-83.4111.5172.4-54.7174.8000108.5F94 G332 D339 A340 K343 L351 I353F94-I334 HydrophobicContact CE1-CG2 4.47Å; G332-I334 PolarHBondContact O-N 3.39Å; I334-D339 HydrophobicContact CB-CB 4.48Å; I334-D339 HydrophobicContact CG2-CB 4.27Å; I334-A340 HydrophobicContact CG2-CB 4.14Å; I334-K343 HydrophobicContact CD1-CD 3.71Å; I334-K343 HydrophobicContact CG1-CD 3.65Å; I334-K343 VanDerWaalsContact CG1-CE 3.45Å; I334-L351 HydrophobicContact CD1-CB 3.91Å; I334-L351 HydrophobicContact CD1-CD2 4Å; I334-L351 HydrophobicContact CD1-CG 4.37Å; I334-I353 HydrophobicContact CB-CG2 3.97Å; I334-I353 HydrophobicContact CD1-CG2 4.27Å; I334-I353 HydrophobicContact CG2-CG2 3.94Å
335S98.4Very high98.5Very high23 Ų2325.3 Ų25.316%0.16113%0.131CC..  trans-123.9-13.3177.3-61.40000113.1G333 D339 R367G333-S335 PolarHBondContact O-N 2.97Å; S335-D339 PolarHBondContact N-OD2 2.9Å; S335-R367 PolarHBondContact O-NH2 3.35Å
336S98.7Very high98.6Very high31 Ų3119.5 Ų19.522%0.21711%0.105CC..SBendtrans-138.8166177.865.30000112.2K338 D339 A340 L368 E371S336-K338 PolarHBondContact O-N 3.43Å; S336-K338 PolarHBondContact OG-N 2.82Å; S336-D339 PolarHBondContact N-OD2 2.96Å; S336-D339 PolarHBondContact O-N 3.46Å; S336-D339 VanDerWaalsContact OG-CG 3.25Å; S336-D339 PolarHBondContact OG-N 3.36Å; S336-D339 VanDerWaalsContact OG-N 3.15Å; S336-D339 PolarHBondContact OG-OD2 3.43Å; S336-A340 PolarHBondContact O-N 3.2Å; S336-A340 VanDerWaalsContact O-N 3.14Å; S336-L368 VanDerWaalsContact CA-CD2 3.49Å; S336-E371 WeakPolarHBondContact CA-OE2 3.3Å
337G98.7Very high98.6Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-62-25.6169.200000112.9Y341 E371G337-Y341 VanDerWaalsContact O-CB 3.27Å; G337-Y341 WeakPolarHBondContact O-CB 3.45Å; G337-Y341 PolarHBondContact O-N 3.46Å; G337-E371 PolarHBondContact N-OE2 3.14Å
338K98.8Very high98.7Very high130 Ų13017.6 Ų17.657%0.5659%0.092SC*.Hα-helixtrans-66.3-45.6172.2-175.7-175.2174.8-169.10111.4S336 A340 Y341 E342S336-K338 PolarHBondContact O-N 3.43Å; S336-K338 PolarHBondContact OG-N 2.82Å; K338-A340 VanDerWaalsContact C-N 3.31Å; K338-A340 PolarHBondContact O-N 2.85Å; K338-Y341 WeakPolarHBondContact O-CB 3.46Å; K338-Y341 PolarHBondContact O-N 2.7Å; K338-E342 WeakPolarHBondContact CE-OE1 3.37Å; K338-E342 WeakPolarHBondContact O-CG 3.42Å; K338-E342 PolarHBondContact O-N 3.12Å
339D98.8Very high98.7Very high27 Ų2718.2 Ų18.214%0.14410%0.097CC..Hα-helixtrans-62.3-41.6176.6-58.3-50.8000111.6Q308 I334 S335 S336 Y341 E342 K343Q308-D339 HydrophobicContact CG-CB 4.42Å; Q308-D339 PolarHBondContact NE2-OD1 3.34Å; Q308-D339 VanDerWaalsContact NE2-OD1 3.13Å; I334-D339 HydrophobicContact CB-CB 4.48Å; I334-D339 HydrophobicContact CG2-CB 4.27Å; S335-D339 PolarHBondContact N-OD2 2.9Å; S336-D339 PolarHBondContact N-OD2 2.96Å; S336-D339 PolarHBondContact O-N 3.46Å; S336-D339 VanDerWaalsContact OG-CG 3.25Å; S336-D339 PolarHBondContact OG-N 3.36Å; S336-D339 VanDerWaalsContact OG-N 3.15Å; S336-D339 PolarHBondContact OG-OD2 3.43Å; D339-Y341 VanDerWaalsContact C-N 3.33Å; D339-E342 PolarHBondContact O-N 2.93Å; D339-K343 PolarHBondContact O-N 3.47Å; D339-K343 VanDerWaalsContact O-N 3.11Å
340A98.9Very high98.7Very high0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-58.5-47.6173.900000110.9F94 I334 S336 K338 E342 K343 L344 L351 L372F94-A340 HydrophobicContact CE1-CB 3.88Å; F94-A340 HydrophobicContact CZ-CB 3.65Å; I334-A340 HydrophobicContact CG2-CB 4.14Å; S336-A340 PolarHBondContact O-N 3.2Å; S336-A340 VanDerWaalsContact O-N 3.14Å; K338-A340 VanDerWaalsContact C-N 3.31Å; K338-A340 PolarHBondContact O-N 2.85Å; A340-E342 PolarHBondContact O-N 3.43Å; A340-K343 PolarHBondContact O-N 2.98Å; A340-L344 WeakPolarHBondContact O-CG 3.37Å; A340-L344 PolarHBondContact O-N 3.42Å; A340-L344 VanDerWaalsContact O-N 3.09Å; A340-L351 HydrophobicContact CB-CD1 3.47Å; A340-L351 VanDerWaalsContact CB-CD1 3.47Å; A340-L372 HydrophobicContact CB-CD1 4.33Å; A340-L372 HydrophobicContact CB-CD2 4.29Å
341Y98.8Very high98.7Very high8 Ų818.3 Ų18.33%0.03110%0.097CC..Hα-helixtrans-61.3-44.1178.9-171.3-125.5000112.3G337 K338 D339 K343 L344 K345 L372 C375 L376 D379 Y381 V387G337-Y341 VanDerWaalsContact O-CB 3.27Å; G337-Y341 WeakPolarHBondContact O-CB 3.45Å; G337-Y341 PolarHBondContact O-N 3.46Å; K338-Y341 WeakPolarHBondContact O-CB 3.46Å; K338-Y341 PolarHBondContact O-N 2.7Å; D339-Y341 VanDerWaalsContact C-N 3.33Å; Y341-K343 VanDerWaalsContact C-N 3.33Å; Y341-K343 PolarHBondContact O-N 3.47Å; Y341-L344 PolarHBondContact O-N 2.83Å; Y341-K345 HydrophobicContact CD1-CD 3.9Å; Y341-K345 HydrophobicContact CE1-CD 3.51Å; Y341-K345 HydrophobicContact CE1-CG 4.42Å; Y341-K345 HydrophobicContact CE2-CD 4.23Å; Y341-K345 HydrophobicContact CE2-CG 4.32Å; Y341-K345 HydrophobicContact CG-CD 4.41Å; Y341-K345 WeakPolarHBondContact O-CG 3.06Å; Y341-K345 PolarHBondContact O-N 3.01Å; Y341-L372 HydrophobicContact CD2-CD1 3.98Å; Y341-L372 HydrophobicContact CG-CD1 4.34Å; Y341-C375 HydrophobicContact CD1-CB 4Å; Y341-C375 HydrophobicContact CD2-CB 4.29Å; Y341-C375 HydrophobicContact CE1-CB 4.48Å; Y341-C375 HydrophobicContact CG-CB 3.91Å; Y341-L376 HydrophobicContact CD2-CD2 4.17Å; Y341-L376 HydrophobicContact CE2-CD2 3.72Å; Y341-L376 HydrophobicContact CE2-CG 4.39Å; Y341-D379 VanDerWaalsContact CE1-OD2 3.25Å; Y341-D379 WeakPolarHBondContact CE1-OD2 3.39Å; Y341-D379 PolarHBondContact OH-OD2 3.45Å; Y341-Y381 WeakPolarHBondContact OH-CD2 3.16Å; Y341-Y381 VanDerWaalsContact OH-CE2 3.25Å; Y341-Y381 WeakPolarHBondContact OH-CE2 2.86Å; Y341-V387 HydrophobicContact CD2-CG2 4.38Å; Y341-V387 HydrophobicContact CE2-CB 4.1Å; Y341-V387 HydrophobicContact CE2-CG1 3.9Å; Y341-V387 HydrophobicContact CE2-CG2 3.92Å
342E98.7Very high98.7Very high63 Ų6317.6 Ų17.629%0.2949%0.093SC..Hα-helixtrans-60.4-40.1176.2-73.8177-172.100112.5Q308 K338 D339 A340 K345 A346Q308-E342 PolarHBondContact NE2-OE2 3.29Å; K338-E342 WeakPolarHBondContact CE-OE1 3.37Å; K338-E342 WeakPolarHBondContact O-CG 3.42Å; K338-E342 PolarHBondContact O-N 3.12Å; D339-E342 PolarHBondContact O-N 2.93Å; A340-E342 PolarHBondContact O-N 3.43Å; E342-K345 PolarHBondContact O-N 2.92Å; E342-A346 WeakPolarHBondContact O-CB 3.09Å; E342-A346 PolarHBondContact O-N 3.1Å
343K98.8Very high98.7Very high0 Ų017.3 Ų17.30%09%0.089CC..Hα-helixtrans-68-38.4176.4-73.9-171.8-174.6-58.10113.2S311 T312 I315 G332 I334 D339 A340 Y341 A346 G347 A348 L351S311-K343 PolarHBondContact OG-NZ 3.22Å; T312-K343 WeakPolarHBondContact OG1-CG 3.4Å; T312-K343 PolarHBondContact OG1-NZ 2.85Å; I315-K343 HydrophobicContact CD1-CB 4.11Å; I315-K343 HydrophobicContact CD1-CD 3.83Å; I315-K343 HydrophobicContact CD1-CG 3.84Å; G332-K343 WeakPolarHBondContact O-CE 3.37Å; G332-K343 PolarHBondContact O-NZ 3.13Å; I334-K343 HydrophobicContact CD1-CD 3.71Å; I334-K343 HydrophobicContact CG1-CD 3.65Å; I334-K343 VanDerWaalsContact CG1-CE 3.45Å; D339-K343 PolarHBondContact O-N 3.47Å; D339-K343 VanDerWaalsContact O-N 3.11Å; A340-K343 PolarHBondContact O-N 2.98Å; Y341-K343 VanDerWaalsContact C-N 3.33Å; Y341-K343 PolarHBondContact O-N 3.47Å; K343-A346 PolarHBondContact O-N 3.28Å; K343-G347 PolarHBondContact O-N 3.5Å; K343-G347 VanDerWaalsContact O-N 3.17Å; K343-A348 HydrophobicContact CB-CB 4.37Å; K343-A348 WeakPolarHBondContact O-CB 3.3Å; K343-A348 PolarHBondContact O-N 3.13Å; K343-L351 HydrophobicContact CB-CD2 3.62Å; K343-L351 HydrophobicContact CD-CD2 4.16Å
344L98.8Very high98.7Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-61.5-48.7173.3-65.8170.3000110A340 Y341 A346 G347 A348 L351 L372 I384 V387 I388 G389A340-L344 WeakPolarHBondContact O-CG 3.37Å; A340-L344 PolarHBondContact O-N 3.42Å; A340-L344 VanDerWaalsContact O-N 3.09Å; Y341-L344 PolarHBondContact O-N 2.83Å; L344-A346 VanDerWaalsContact C-N 3.25Å; L344-A346 PolarHBondContact O-N 2.75Å; L344-G347 WeakPolarHBondContact O-CA 3.36Å; L344-G347 PolarHBondContact O-N 3.47Å; L344-A348 WeakPolarHBondContact CA-O 3.42Å; L344-A348 VanDerWaalsContact CD2-O 3.26Å; L344-A348 WeakPolarHBondContact CD2-O 3.34Å; L344-L351 HydrophobicContact CD1-CD1 4.48Å; L344-L351 HydrophobicContact CD2-CD1 4.35Å; L344-L351 HydrophobicContact CD2-CD2 4.45Å; L344-L351 HydrophobicContact CD2-CG 4.28Å; L344-L351 HydrophobicContact CG-CD1 4.2Å; L344-L372 HydrophobicContact CD1-CD1 3.87Å; L344-L372 HydrophobicContact CD1-CD2 3.96Å; L344-I384 HydrophobicContact CD1-CB 4.07Å; L344-I384 HydrophobicContact CD1-CG2 3.67Å; L344-V387 HydrophobicContact CB-CG2 4.08Å; L344-I388 VanDerWaalsContact O-CA 3.32Å; L344-I388 WeakPolarHBondContact O-CA 3.47Å; L344-G389 PolarHBondContact O-N 3.41Å
345K98.7Very high98.7Very high44 Ų4419.7 Ų19.719%0.19110%0.097CC..Hα-helixtrans-59.3-33.5176.5-68.8-178.252.6172.80114Y341 E342 G347 V387 G389 I390 D391Y341-K345 HydrophobicContact CD1-CD 3.9Å; Y341-K345 HydrophobicContact CE1-CD 3.51Å; Y341-K345 HydrophobicContact CE1-CG 4.42Å; Y341-K345 HydrophobicContact CE2-CD 4.23Å; Y341-K345 HydrophobicContact CE2-CG 4.32Å; Y341-K345 HydrophobicContact CG-CD 4.41Å; Y341-K345 WeakPolarHBondContact O-CG 3.06Å; Y341-K345 PolarHBondContact O-N 3.01Å; E342-K345 PolarHBondContact O-N 2.92Å; K345-G347 VanDerWaalsContact C-N 3.33Å; K345-V387 WeakPolarHBondContact CA-O 3.23Å; K345-V387 HydrophobicContact CG-CB 4.31Å; K345-G389 CarbonylContact O-C 3.53Å; K345-G389 WeakPolarHBondContact O-CA 3.28Å; K345-G389 PolarHBondContact O-N 3.5Å; K345-I390 HydrophobicContact CB-CG1 3.99Å; K345-I390 HydrophobicContact CD-CD1 3.97Å; K345-I390 HydrophobicContact CD-CG1 4.32Å; K345-I390 HydrophobicContact CG-CD1 3.76Å; K345-I390 HydrophobicContact CG-CG1 3.77Å; K345-I390 PolarHBondContact O-N 3.4Å; K345-D391 WeakPolarHBondContact CB-OD2 3.46Å; K345-D391 WeakPolarHBondContact CE-OD1 3.42Å; K345-D391 WeakPolarHBondContact CE-OD2 3Å; K345-D391 IonicContact NZ-OD1 2.8Å; K345-D391 IonicContact NZ-OD2 2.62Å; K345-D391 PolarHBondContact O-N 2.9Å; K345-D391 VanDerWaalsContact O-N 3.11Å
346A98.6Very high98.7Very high4 Ų418.8 Ų18.83%0.0339%0.091CC..Hα-helixtrans-68.5-29.7173.800000112.9T312 I315 K316 E342 K343 L344 S392T312-A346 HydrophobicContact CG2-CB 3.86Å; I315-A346 HydrophobicContact CB-CB 4.3Å; I315-A346 HydrophobicContact CG2-CB 3.88Å; K316-A346 WeakPolarHBondContact CA-O 3.45Å; K316-A346 HydrophobicContact CB-CB 4.18Å; E342-A346 WeakPolarHBondContact O-CB 3.09Å; E342-A346 PolarHBondContact O-N 3.1Å; K343-A346 PolarHBondContact O-N 3.28Å; L344-A346 VanDerWaalsContact C-N 3.25Å; L344-A346 PolarHBondContact O-N 2.75Å; A346-S392 PolarHBondContact O-OG 3.33Å
347G98.6Very high98.7Very high0 Ų017.8 Ų17.80%08%0.083CC..THydrogen-bonded Turntrans138.10.6176.600000116Y319 K343 L344 K345Y319-G347 VanDerWaalsContact CD2-CA 3.41Å; Y319-G347 VanDerWaalsContact CD2-O 3.3Å; Y319-G347 WeakPolarHBondContact CD2-O 3.43Å; K343-G347 PolarHBondContact O-N 3.5Å; K343-G347 VanDerWaalsContact O-N 3.17Å; L344-G347 WeakPolarHBondContact O-CA 3.36Å; L344-G347 PolarHBondContact O-N 3.47Å; K345-G347 VanDerWaalsContact C-N 3.33Å
348A98.8Very high98.7Very high0 Ų019.1 Ų19.10%09%0.092CC..EExtended strand (participates in β ladder)trans-68.7142.717400000110.8I315 I328 K343 L344 L351I315-A348 HydrophobicContact CD1-CB 4.4Å; I315-A348 HydrophobicContact CG2-CB 4.12Å; I328-A348 HydrophobicContact CG2-CB 4.49Å; I328-A348 CarbonylContact O-C 3.58Å; I328-A348 WeakPolarHBondContact O-CA 3.25Å; K343-A348 HydrophobicContact CB-CB 4.37Å; K343-A348 WeakPolarHBondContact O-CB 3.3Å; K343-A348 PolarHBondContact O-N 3.13Å; L344-A348 WeakPolarHBondContact CA-O 3.42Å; L344-A348 VanDerWaalsContact CD2-O 3.26Å; L344-A348 WeakPolarHBondContact CD2-O 3.34Å; A348-L351 HydrophobicContact CB-CD2 4.04Å
349S98.7Very high98.6Very high15 Ų1513.5 Ų13.511%0.1057%0.067CC..EExtended strand (participates in β ladder)trans-103.7-25.5173.8-45.80000112.3I328I328-S349 PolarHBondContact O-N 3.39Å
350L98.9Very high98.6Very high1 Ų112.9 Ų12.91%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-131.9161.2174.9-63.8170.6000108.6I83 V85 F86 F90 C93 F117 I328 I329 G330I83-L350 HydrophobicContact CG2-CD2 3.81Å; V85-L350 HydrophobicContact CB-CD1 4.25Å; V85-L350 HydrophobicContact CG1-CD1 4.39Å; V85-L350 HydrophobicContact CG2-CD1 4.42Å; V85-L350 HydrophobicContact CG2-CD2 4.34Å; V85-L350 HydrophobicContact CG2-CG 4.15Å; F86-L350 HydrophobicContact CE2-CD1 3.89Å; F90-L350 HydrophobicContact CB-CD2 4.32Å; F90-L350 HydrophobicContact CD1-CD1 4.24Å; F90-L350 HydrophobicContact CD1-CD2 3.8Å; F90-L350 HydrophobicContact CD2-CD1 4.49Å; F90-L350 HydrophobicContact CD2-CD2 4.15Å; F90-L350 HydrophobicContact CE1-CD1 3.63Å; F90-L350 HydrophobicContact CE1-CD2 4.07Å; F90-L350 HydrophobicContact CE2-CD1 3.96Å; F90-L350 HydrophobicContact CE2-CD2 4.44Å; F90-L350 HydrophobicContact CG-CD2 3.84Å; F90-L350 HydrophobicContact CZ-CD1 3.49Å; F90-L350 VanDerWaalsContact CZ-CD1 3.49Å; F90-L350 HydrophobicContact CZ-CD2 4.4Å; C93-L350 HydrophobicContact CB-CD2 4.29Å; F117-L350 HydrophobicContact CD1-CD2 4.49Å; F117-L350 HydrophobicContact CE1-CB 3.87Å; F117-L350 HydrophobicContact CE1-CD1 4.29Å; F117-L350 HydrophobicContact CE1-CD2 4.03Å; F117-L350 HydrophobicContact CE1-CG 4.28Å; F117-L350 HydrophobicContact CZ-CB 3.86Å; F117-L350 HydrophobicContact CZ-CD1 4.44Å; I328-L350 PolarHBondContact O-N 3.33Å; I329-L350 CarbonylContact C-O 3.49Å; I329-L350 WeakPolarHBondContact CA-O 3.2Å; I329-L350 HydrophobicContact CB-CB 4.38Å; I329-L350 HydrophobicContact CD1-CD1 4.12Å; I329-L350 HydrophobicContact CG1-CB 4.06Å; I329-L350 HydrophobicContact CG1-CD1 4.14Å; I329-L350 HydrophobicContact CG2-CB 4.17Å; G330-L350 PolarHBondContact N-O 3.24Å
351L98.9Very high98.5Very high0 Ų013.1 Ų13.10%07%0.066CC..EExtended strand (participates in β ladder)trans-131.8139.9-175.6-61.5174.5000110.8C93 F94 G95 F117 G330 I334 A340 K343 L344 A348C93-L351 PolarHBondContact O-N 3.33Å; F94-L351 CarbonylContact C-O 3.53Å; F94-L351 HydrophobicContact CD1-CB 4.2Å; F94-L351 HydrophobicContact CD1-CD1 4.46Å; F94-L351 HydrophobicContact CE1-CB 4.41Å; F94-L351 HydrophobicContact CE1-CD1 3.96Å; F94-L351 HydrophobicContact CZ-CD1 4.24Å; G95-L351 PolarHBondContact N-O 3.3Å; F117-L351 WeakPolarHBondContact CZ-O 3.33Å; G330-L351 CarbonylContact O-C 3.52Å; G330-L351 VanDerWaalsContact O-CA 3.29Å; G330-L351 WeakPolarHBondContact O-CA 3.35Å; I334-L351 HydrophobicContact CD1-CB 3.91Å; I334-L351 HydrophobicContact CD1-CD2 4Å; I334-L351 HydrophobicContact CD1-CG 4.37Å; A340-L351 HydrophobicContact CB-CD1 3.47Å; A340-L351 VanDerWaalsContact CB-CD1 3.47Å; K343-L351 HydrophobicContact CB-CD2 3.62Å; K343-L351 HydrophobicContact CD-CD2 4.16Å; L344-L351 HydrophobicContact CD1-CD1 4.48Å; L344-L351 HydrophobicContact CD2-CD1 4.35Å; L344-L351 HydrophobicContact CD2-CD2 4.45Å; L344-L351 HydrophobicContact CD2-CG 4.28Å; L344-L351 HydrophobicContact CG-CD1 4.2Å; A348-L351 HydrophobicContact CB-CD2 4.04Å
352Q98.9Very high98.3Very high1 Ų113 Ų131%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-118.2134.4175.5-84.9178.6-19.400111.6G95 A97 F117 E119 I329 G330 C331G95-Q352 VanDerWaalsContact O-CA 3.32Å; G95-Q352 WeakPolarHBondContact O-CA 3.37Å; A97-Q352 HydrophobicContact CB-CB 3.99Å; A97-Q352 HydrophobicContact CB-CG 4.43Å; F117-Q352 HydrophobicContact CE2-CG 3.66Å; F117-Q352 HydrophobicContact CZ-CG 3.91Å; E119-Q352 PolarHBondContact OE2-NE2 3.38Å; I329-Q352 HydrophobicContact CG2-CB 4.29Å; I329-Q352 HydrophobicContact CG2-CG 3.64Å; G330-Q352 PolarHBondContact O-N 2.98Å; C331-Q352 HydrophobicContact CB-CB 3.92Å
353I98.7Very high98.3Very high4 Ų410.1 Ų10.12%0.0215%0.052CC..EExtended strand (participates in β ladder)trans-118.8153.3176.366.5172.9000111.4F94 G95 A97 F115 I334 V356 I357 L365 L368F94-I353 HydrophobicContact CD1-CG2 4.29Å; G95-I353 PolarHBondContact O-N 3.26Å; A97-I353 PolarHBondContact N-O 2.89Å; F115-I353 HydrophobicContact CE1-CD1 3.91Å; F115-I353 HydrophobicContact CE1-CG1 3.92Å; F115-I353 HydrophobicContact CZ-CD1 4.32Å; F115-I353 HydrophobicContact CZ-CG1 4.46Å; I334-I353 HydrophobicContact CB-CG2 3.97Å; I334-I353 HydrophobicContact CD1-CG2 4.27Å; I334-I353 HydrophobicContact CG2-CG2 3.94Å; I353-V356 HydrophobicContact CB-CG1 4.01Å; I353-V356 HydrophobicContact CD1-CG1 4.12Å; I353-V356 HydrophobicContact CG2-CG1 4.48Å; I353-I357 HydrophobicContact CD1-CD1 3.96Å; I353-I357 HydrophobicContact CD1-CG1 4.12Å; I353-I357 HydrophobicContact CG1-CD1 3.98Å; I353-L365 HydrophobicContact CD1-CD1 4.48Å; I353-L368 HydrophobicContact CD1-CD1 3.69Å; I353-L368 HydrophobicContact CG2-CD1 4.11Å
354Y98.5Very high98.2Very high48 Ų4810.1 Ų10.119%0.1885%0.052CC..  trans-151.6-65170.7-174.7-56.5000109.5F100 L145 V356 I357 T358F100-Y354 HydrophobicContact CB-CD2 4.05Å; F100-Y354 HydrophobicContact CB-CE2 3.77Å; F100-Y354 HydrophobicContact CD2-CE2 4.43Å; L145-Y354 HydrophobicContact CD1-CD1 4.17Å; L145-Y354 HydrophobicContact CD1-CE1 3.89Å; Y354-V356 VanDerWaalsContact C-N 3.27Å; Y354-V356 PolarHBondContact O-N 3.19Å; Y354-I357 WeakPolarHBondContact O-CB 3.48Å; Y354-I357 PolarHBondContact O-N 3.43Å; Y354-T358 PolarHBondContact O-N 3.25Å
355T98.5Very high98.2Very high14 Ų1410.1 Ų10.19%0.0865%0.052CC..Hα-helixtrans-59.4-38.6-165.6-49.80000112.2R143 L145 S303 G304 I357 T358 Y359R143-T355 WeakPolarHBondContact O-CG2 3.3Å; L145-T355 HydrophobicContact CD1-CG2 4.14Å; L145-T355 HydrophobicContact CG-CG2 4.03Å; S303-T355 PolarHBondContact OG-OG1 2.83Å; G304-T355 PolarHBondContact N-OG1 3.31Å; T355-I357 VanDerWaalsContact C-N 3.28Å; T355-I357 PolarHBondContact O-N 2.84Å; T355-T358 WeakPolarHBondContact O-CA 3.39Å; T355-T358 VanDerWaalsContact O-CB 3.27Å; T355-T358 WeakPolarHBondContact O-CB 3.49Å; T355-T358 PolarHBondContact O-N 2.97Å; T355-Y359 HydrophobicContact CG2-CD2 4.07Å; T355-Y359 HydrophobicContact CG2-CE2 3.96Å; T355-Y359 WeakPolarHBondContact O-CD2 3.44Å; T355-Y359 PolarHBondContact O-N 3.22Å
356V98.6Very high98.2Very high4 Ų48 Ų82%0.0244%0.043CC..Hα-helixtrans-58.2-37.6176.168.90000112.8I353 Y354 T358 Y359 E360 V364 L368I353-V356 HydrophobicContact CB-CG1 4.01Å; I353-V356 HydrophobicContact CD1-CG1 4.12Å; I353-V356 HydrophobicContact CG2-CG1 4.48Å; Y354-V356 VanDerWaalsContact C-N 3.27Å; Y354-V356 PolarHBondContact O-N 3.19Å; V356-T358 VanDerWaalsContact C-N 3.26Å; V356-T358 PolarHBondContact O-N 3.47Å; V356-Y359 PolarHBondContact O-N 2.88Å; V356-Y359 VanDerWaalsContact O-N 3.11Å; V356-E360 HydrophobicContact CG2-CG 4.3Å; V356-E360 WeakPolarHBondContact O-CB 3.2Å; V356-E360 PolarHBondContact O-N 2.94Å; V356-V364 HydrophobicContact CG1-CG1 4.08Å; V356-V364 HydrophobicContact CG2-CG1 4.29Å; V356-V364 HydrophobicContact CG2-CG2 3.67Å; V356-L368 HydrophobicContact CG1-CD1 4.27Å
357I97.9Very high98.2Very high10 Ų1010.1 Ų10.15%0.0515%0.05CC..Hα-helixtrans-66.1-33.4176.6-61.5164.4000110.8L96 F100 F115 I353 Y354 T355 Y359 G361 M362 V364L96-I357 HydrophobicContact CD1-CD1 3.46Å; L96-I357 VanDerWaalsContact CD1-CD1 3.46Å; F100-I357 HydrophobicContact CE2-CG2 4.3Å; F115-I357 HydrophobicContact CZ-CD1 3.84Å; I353-I357 HydrophobicContact CD1-CD1 3.96Å; I353-I357 HydrophobicContact CD1-CG1 4.12Å; I353-I357 HydrophobicContact CG1-CD1 3.98Å; Y354-I357 WeakPolarHBondContact O-CB 3.48Å; Y354-I357 PolarHBondContact O-N 3.43Å; T355-I357 VanDerWaalsContact C-N 3.28Å; T355-I357 PolarHBondContact O-N 2.84Å; I357-Y359 PolarHBondContact O-N 3.46Å; I357-G361 VanDerWaalsContact O-CA 3.26Å; I357-G361 WeakPolarHBondContact O-CA 3.49Å; I357-G361 PolarHBondContact O-N 3.26Å; I357-M362 HydrophobicContact CD1-SD 4.43Å; I357-M362 HydrophobicContact CG2-CG 4.34Å; I357-M362 HydrophobicContact CG2-SD 3.88Å; I357-V364 HydrophobicContact CG1-CG1 3.95Å
358T97.7Very high98.2Very high29 Ų2910.1 Ų10.118%0.1785%0.05CC..Hα-helixtrans-64.5-30.1176.2-55.10000111.8I43 H47 L145 Y354 T355 V356I43-T358 WeakPolarHBondContact CG2-O 3.48Å; H47-T358 PolarHBondContact CE1-O 2.94Å; H47-T358 PolarHBondContact NE2-O 3.41Å; H47-T358 VanDerWaalsContact NE2-O 3.08Å; L145-T358 HydrophobicContact CD1-CG2 4.15Å; L145-T358 HydrophobicContact CD2-CG2 4.12Å; Y354-T358 PolarHBondContact O-N 3.25Å; T355-T358 WeakPolarHBondContact O-CA 3.39Å; T355-T358 VanDerWaalsContact O-CB 3.27Å; T355-T358 WeakPolarHBondContact O-CB 3.49Å; T355-T358 PolarHBondContact O-N 2.97Å; V356-T358 VanDerWaalsContact C-N 3.26Å; V356-T358 PolarHBondContact O-N 3.47Å
359Y98.2Very high98.2Very high11 Ų1110.1 Ų10.14%0.0435%0.05CC..Hα-helixtrans-101.5-16.7-177.7-74.2-79.8000114.5L139 I140 R143 A144 L145 T355 V356 I357L139-Y359 PolarHBondContact N-OH 3.19Å; L139-Y359 PolarHBondContact O-OH 3.48Å; I140-Y359 HydrophobicContact CD1-CE1 3.86Å; R143-Y359 HydrophobicContact CB-CD1 4.48Å; R143-Y359 HydrophobicContact CB-CD2 4.23Å; R143-Y359 HydrophobicContact CB-CE2 4.4Å; R143-Y359 HydrophobicContact CB-CG 4.28Å; R143-Y359 VanDerWaalsContact O-CE2 3.29Å; R143-Y359 WeakPolarHBondContact O-CE2 3.35Å; A144-Y359 PolarHBondContact N-OH 2.96Å; A144-Y359 PolarHBondContact O-OH 2.74Å; L145-Y359 HydrophobicContact CG-CE2 4.45Å; T355-Y359 HydrophobicContact CG2-CD2 4.07Å; T355-Y359 HydrophobicContact CG2-CE2 3.96Å; T355-Y359 WeakPolarHBondContact O-CD2 3.44Å; T355-Y359 PolarHBondContact O-N 3.22Å; V356-Y359 PolarHBondContact O-N 2.88Å; V356-Y359 VanDerWaalsContact O-N 3.11Å; I357-Y359 PolarHBondContact O-N 3.46Å
360E97.8Very high98.2Very high15 Ų1513.5 Ų13.57%0.076%0.06CC..Hα-helixtrans-134.80-170-56.5-177.9-152.400113.6Y38 A39 R143 V356 V364 R367Y38-E360 WeakPolarHBondContact CB-O 3.32Å; A39-E360 HydrophobicContact CB-CB 4.14Å; A39-E360 HydrophobicContact CB-CG 3.99Å; R143-E360 IonicContact CZ-OE1 2.83Å; R143-E360 IonicContact NE-OE1 3.9Å; R143-E360 IonicContact NH2-OE1 3.05Å; R143-E360 PolarHBondContact NH2-OE1 3.36Å; V356-E360 HydrophobicContact CG2-CG 4.3Å; V356-E360 WeakPolarHBondContact O-CB 3.2Å; V356-E360 PolarHBondContact O-N 2.94Å; E360-V364 HydrophobicContact CB-CB 4.04Å; E360-V364 HydrophobicContact CB-CG2 4.11Å; E360-V364 WeakPolarHBondContact OE2-CG2 3.39Å; E360-R367 IonicContact OE1-NH2 2.78Å; E360-R367 IonicContact OE2-CZ 2.97Å; E360-R367 IonicContact OE2-NH1 3.38Å; E360-R367 PolarHBondContact OE2-NH1 3.44Å; E360-R367 IonicContact OE2-NH2 3.92Å; E360-R367 PolarHBondContact OE2-NH2 3.41Å
361G96.6Very high98.2Very high5 Ų516.4 Ų16.45%0.0527%0.074CC..  trans72.3178.8-179.400000114.1I357 P363 V364I357-G361 VanDerWaalsContact O-CA 3.26Å; I357-G361 WeakPolarHBondContact O-CA 3.49Å; I357-G361 PolarHBondContact O-N 3.26Å; G361-P363 VanDerWaalsContact C-CD 3.43Å; G361-V364 WeakPolarHBondContact O-CG1 3.22Å; G361-V364 PolarHBondContact O-N 3.4Å
362M96.2Very high98.2Very high6 Ų616.4 Ų16.43%0.037%0.074CC..THydrogen-bonded Turntrans-63.3-33.7-179.1-69.3-70.6-75.200114.8L63 M74 L110 A113 F115 I357 V364 L365L63-M362 HydrophobicContact CD2-CE 4.48Å; M74-M362 HydrophobicContact CE-CB 3.73Å; M74-M362 HydrophobicContact CE-CE 4.21Å; M74-M362 HydrophobicContact SD-CB 4.26Å; L110-M362 HydrophobicContact CD2-CE 3.78Å; A113-M362 HydrophobicContact CB-CE 3.55Å; F115-M362 HydrophobicContact CE2-CE 3.84Å; F115-M362 HydrophobicContact CE2-SD 4.49Å; I357-M362 HydrophobicContact CD1-SD 4.43Å; I357-M362 HydrophobicContact CG2-CG 4.34Å; I357-M362 HydrophobicContact CG2-SD 3.88Å; M362-V364 PolarHBondContact O-N 2.93Å; M362-L365 PolarHBondContact O-N 2.89Å
363P97.3Very high98.1Very high1 Ų116.9 Ų16.91%0.0068%0.077CC..THydrogen-bonded Turntrans-56.5-22.8179.1-30.438.6000115.2G33 E35 Y38 M74 G361 L365 G366G33-P363 VanDerWaalsContact O-CB 3.26Å; G33-P363 WeakPolarHBondContact O-CB 3.29Å; E35-P363 HydrophobicContact CG-CB 3.76Å; Y38-P363 HydrophobicContact CD1-CG 4.28Å; Y38-P363 HydrophobicContact CD2-CG 3.83Å; Y38-P363 HydrophobicContact CE1-CG 4.28Å; Y38-P363 HydrophobicContact CE2-CG 3.83Å; Y38-P363 HydrophobicContact CG-CG 4.03Å; M74-P363 HydrophobicContact SD-CG 4.38Å; G361-P363 VanDerWaalsContact C-CD 3.43Å; P363-L365 PolarHBondContact O-N 2.9Å; P363-G366 PolarHBondContact O-N 2.9Å
364V97.9Very high98.1Very high1 Ų120.2 Ų20.21%0.00610%0.101CC..Hα-helixtrans-55.2-26.6178.177.50000113.6V356 I357 E360 G361 M362 G366 R367 L368V356-V364 HydrophobicContact CG1-CG1 4.08Å; V356-V364 HydrophobicContact CG2-CG1 4.29Å; V356-V364 HydrophobicContact CG2-CG2 3.67Å; I357-V364 HydrophobicContact CG1-CG1 3.95Å; E360-V364 HydrophobicContact CB-CB 4.04Å; E360-V364 HydrophobicContact CB-CG2 4.11Å; E360-V364 WeakPolarHBondContact OE2-CG2 3.39Å; G361-V364 WeakPolarHBondContact O-CG1 3.22Å; G361-V364 PolarHBondContact O-N 3.4Å; M362-V364 PolarHBondContact O-N 2.93Å; V364-G366 VanDerWaalsContact C-N 3.29Å; V364-G366 PolarHBondContact O-N 3.25Å; V364-R367 VanDerWaalsContact CG2-NH2 3.29Å; V364-R367 WeakPolarHBondContact O-CB 3.36Å; V364-R367 PolarHBondContact O-N 2.87Å; V364-L368 HydrophobicContact CG2-CD1 4.39Å; V364-L368 HydrophobicContact CG2-CG 4.25Å; V364-L368 VanDerWaalsContact O-CG 3.3Å; V364-L368 WeakPolarHBondContact O-CG 3.31Å; V364-L368 PolarHBondContact O-N 2.99Å
365L98.3Very high98.2Very high0 Ų018.5 Ų18.50%010%0.095CC..Hα-helixtrans-57.5-43174.5177.860.9000112F94 F115 I353 M362 P363 R367 L368 K369F94-L365 HydrophobicContact CB-CD1 3.72Å; F94-L365 HydrophobicContact CG-CD1 4.22Å; F115-L365 HydrophobicContact CD1-CD1 3.94Å; F115-L365 HydrophobicContact CD1-CD2 3.81Å; F115-L365 HydrophobicContact CD2-CD2 4.03Å; F115-L365 HydrophobicContact CE1-CD1 3.82Å; F115-L365 HydrophobicContact CE1-CD2 3.91Å; F115-L365 HydrophobicContact CE1-CG 4.36Å; F115-L365 HydrophobicContact CE2-CD2 4.11Å; F115-L365 HydrophobicContact CG-CD2 3.87Å; F115-L365 HydrophobicContact CZ-CD2 4.04Å; I353-L365 HydrophobicContact CD1-CD1 4.48Å; M362-L365 PolarHBondContact O-N 2.89Å; P363-L365 PolarHBondContact O-N 2.9Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-L368 PolarHBondContact O-N 3.36Å; L365-K369 WeakPolarHBondContact O-CG 3.48Å; L365-K369 PolarHBondContact O-N 3.28Å; L365-K369 VanDerWaalsContact O-N 3.16Å
366G98.1Very high98.2Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-63.1-41.8177.500000111.8S73 P363 V364 R370S73-G366 VanDerWaalsContact O-CA 3.3Å; S73-G366 WeakPolarHBondContact O-CA 3.37Å; P363-G366 PolarHBondContact O-N 2.9Å; V364-G366 VanDerWaalsContact C-N 3.29Å; V364-G366 PolarHBondContact O-N 3.25Å; G366-R370 WeakPolarHBondContact O-CG 3.35Å; G366-R370 PolarHBondContact O-N 2.77Å; G366-R370 VanDerWaalsContact O-N 3.16Å
367R98.2Very high98.2Very high48 Ų4822.2 Ų22.218%0.18111%0.114CC..Hα-helixtrans-60.5-51174.7-162.4-173.569.3-146.8-6.2112.4E35 S335 E360 V364 L365 K369 R370 E371E35-R367 PolarHBondContact OE1-N 3.4Å; E35-R367 VanDerWaalsContact OE2-CB 3.3Å; E35-R367 WeakPolarHBondContact OE2-CB 3.26Å; E35-R367 WeakPolarHBondContact OE2-CG 2.98Å; S335-R367 PolarHBondContact O-NH2 3.35Å; E360-R367 IonicContact OE1-NH2 2.78Å; E360-R367 IonicContact OE2-CZ 2.97Å; E360-R367 IonicContact OE2-NH1 3.38Å; E360-R367 PolarHBondContact OE2-NH1 3.44Å; E360-R367 IonicContact OE2-NH2 3.92Å; E360-R367 PolarHBondContact OE2-NH2 3.41Å; V364-R367 VanDerWaalsContact CG2-NH2 3.29Å; V364-R367 WeakPolarHBondContact O-CB 3.36Å; V364-R367 PolarHBondContact O-N 2.87Å; L365-R367 VanDerWaalsContact C-N 3.34Å; R367-K369 VanDerWaalsContact C-N 3.29Å; R367-K369 PolarHBondContact O-N 2.79Å; R367-R370 PolarHBondContact O-N 2.85Å; R367-R370 VanDerWaalsContact O-N 3.09Å; R367-E371 WeakPolarHBondContact CD-OE1 3.19Å; R367-E371 HydrophobicContact CG-CG 4.14Å; R367-E371 VanDerWaalsContact CG-OE1 3.27Å; R367-E371 WeakPolarHBondContact CG-OE1 3.38Å; R367-E371 IonicContact NE-OE1 3.52Å; R367-E371 PolarHBondContact NE-OE1 3.29Å; R367-E371 IonicContact NE-OE2 2.76Å; R367-E371 WeakPolarHBondContact O-CG 3.49Å; R367-E371 PolarHBondContact O-N 3.49Å
368L98.8Very high98.2Very high0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-59.6-40.2-177.1-69.6173.1000111.9F94 S336 I353 V356 V364 L365 L372F94-L368 HydrophobicContact CE1-CB 3.96Å; F94-L368 HydrophobicContact CE1-CD1 4.34Å; F94-L368 HydrophobicContact CE2-CB 4.27Å; F94-L368 HydrophobicContact CZ-CB 3.77Å; S336-L368 VanDerWaalsContact CA-CD2 3.49Å; I353-L368 HydrophobicContact CD1-CD1 3.69Å; I353-L368 HydrophobicContact CG2-CD1 4.11Å; V356-L368 HydrophobicContact CG1-CD1 4.27Å; V364-L368 HydrophobicContact CG2-CD1 4.39Å; V364-L368 HydrophobicContact CG2-CG 4.25Å; V364-L368 VanDerWaalsContact O-CG 3.3Å; V364-L368 WeakPolarHBondContact O-CG 3.31Å; V364-L368 PolarHBondContact O-N 2.99Å; L365-L368 PolarHBondContact O-N 3.36Å; L368-L372 VanDerWaalsContact O-CB 3.24Å; L368-L372 WeakPolarHBondContact O-CB 3.21Å; L368-L372 PolarHBondContact O-N 3.13Å
369K98.8Very high98.2Very high0 Ų031.3 Ų31.30%015%0.15CC..Hα-helixtrans-59.8-51.5172.6-69.5178.5-175.6-173.30111.4M74 Q76 E77 Y78 L81 N92 F94 G114 L365 R367 L372 V373M74-K369 PolarHBondContact O-NZ 3.16Å; Q76-K369 WeakPolarHBondContact O-CD 3.2Å; Q76-K369 PolarHBondContact O-NZ 3.44Å; E77-K369 IonicContact OE1-NZ 3.01Å; E77-K369 PolarHBondContact OE1-NZ 3.21Å; E77-K369 IonicContact OE2-NZ 2.72Å; E77-K369 PolarHBondContact OE2-NZ 3.37Å; Y78-K369 HydrophobicContact CD2-CB 3.97Å; Y78-K369 HydrophobicContact CE2-CB 3.88Å; L81-K369 HydrophobicContact CD1-CB 3.82Å; L81-K369 HydrophobicContact CD1-CG 3.95Å; N92-K369 WeakPolarHBondContact ND2-CE 3.37Å; N92-K369 PolarHBondContact ND2-NZ 3.01Å; N92-K369 VanDerWaalsContact ND2-NZ 3.16Å; F94-K369 HydrophobicContact CD2-CG 3.86Å; F94-K369 HydrophobicContact CE2-CG 4.18Å; G114-K369 WeakPolarHBondContact O-CE 3.38Å; G114-K369 PolarHBondContact O-NZ 2.94Å; L365-K369 WeakPolarHBondContact O-CG 3.48Å; L365-K369 PolarHBondContact O-N 3.28Å; L365-K369 VanDerWaalsContact O-N 3.16Å; R367-K369 VanDerWaalsContact C-N 3.29Å; R367-K369 PolarHBondContact O-N 2.79Å; K369-L372 PolarHBondContact O-N 2.82Å; K369-V373 WeakPolarHBondContact O-CG2 3.39Å; K369-V373 PolarHBondContact O-N 3.5Å
370R98.6Very high98.2Very high85 Ų8533.9 Ų33.932%0.32118%0.179SC..Hα-helixtrans-59.8-47.2179.9-74.7-170.7-41.3-97.22.7112.9E35 Y78 G366 R367 V373 S374E35-R370 IonicContact OE1-CZ 3.64Å; E35-R370 VanDerWaalsContact OE1-CZ 3.27Å; E35-R370 IonicContact OE1-NH1 3.06Å; E35-R370 PolarHBondContact OE1-NH1 2.96Å; E35-R370 IonicContact OE1-NH2 3.17Å; E35-R370 PolarHBondContact OE1-NH2 2.88Å; E35-R370 IonicContact OE2-CZ 3.56Å; E35-R370 IonicContact OE2-NH2 3.36Å; E35-R370 PolarHBondContact OE2-NH2 3.43Å; Y78-R370 HydrophobicContact CE2-CG 4.27Å; Y78-R370 WeakPolarHBondContact OH-CG 3.48Å; G366-R370 WeakPolarHBondContact O-CG 3.35Å; G366-R370 PolarHBondContact O-N 2.77Å; G366-R370 VanDerWaalsContact O-N 3.16Å; R367-R370 PolarHBondContact O-N 2.85Å; R367-R370 VanDerWaalsContact O-N 3.09Å; R370-V373 PolarHBondContact O-N 2.86Å; R370-S374 WeakPolarHBondContact O-CB 3.34Å; R370-S374 PolarHBondContact O-N 3.44Å; R370-S374 PolarHBondContact O-OG 2.68Å
371E98.8Very high98.2Very high63 Ų6336.6 Ų36.629%0.29419%0.189SC..Hα-helixtrans-66.3-39-179.3-72.1177.1-18000111.9S336 G337 R367 S374 C375S336-E371 WeakPolarHBondContact CA-OE2 3.3Å; G337-E371 PolarHBondContact N-OE2 3.14Å; R367-E371 WeakPolarHBondContact CD-OE1 3.19Å; R367-E371 HydrophobicContact CG-CG 4.14Å; R367-E371 VanDerWaalsContact CG-OE1 3.27Å; R367-E371 WeakPolarHBondContact CG-OE1 3.38Å; R367-E371 IonicContact NE-OE1 3.52Å; R367-E371 PolarHBondContact NE-OE1 3.29Å; R367-E371 IonicContact NE-OE2 2.76Å; R367-E371 WeakPolarHBondContact O-CG 3.49Å; R367-E371 PolarHBondContact O-N 3.49Å; E371-S374 WeakPolarHBondContact O-CB 3.37Å; E371-S374 PolarHBondContact O-N 2.9Å; E371-C375 PolarHBondContact O-N 3.43Å; E371-C375 PolarHBondContact O-SG 3.13Å
372L98.9Very high98.2Very high0 Ų046.8 Ų46.80%023%0.226CC..Hα-helixtrans-65.1-45.2176.7176.157.9000111.4L81 F94 A340 Y341 L344 L368 K369 S374 C375 L376 I384L81-L372 HydrophobicContact CD2-CB 4.39Å; L81-L372 HydrophobicContact CD2-CD2 3.57Å; L81-L372 HydrophobicContact CD2-CG 3.74Å; F94-L372 HydrophobicContact CE2-CB 4.34Å; F94-L372 HydrophobicContact CE2-CD2 3.67Å; F94-L372 HydrophobicContact CZ-CB 4.36Å; F94-L372 HydrophobicContact CZ-CD2 3.85Å; A340-L372 HydrophobicContact CB-CD1 4.33Å; A340-L372 HydrophobicContact CB-CD2 4.29Å; Y341-L372 HydrophobicContact CD2-CD1 3.98Å; Y341-L372 HydrophobicContact CG-CD1 4.34Å; L344-L372 HydrophobicContact CD1-CD1 3.87Å; L344-L372 HydrophobicContact CD1-CD2 3.96Å; L368-L372 VanDerWaalsContact O-CB 3.24Å; L368-L372 WeakPolarHBondContact O-CB 3.21Å; L368-L372 PolarHBondContact O-N 3.13Å; K369-L372 PolarHBondContact O-N 2.82Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 3.47Å; L372-C375 WeakPolarHBondContact O-CB 3.23Å; L372-C375 PolarHBondContact O-N 2.85Å; L372-C375 VanDerWaalsContact O-N 3.15Å; L372-L376 HydrophobicContact CG-CD1 4.41Å; L372-L376 WeakPolarHBondContact O-CG 3.31Å; L372-L376 PolarHBondContact O-N 3.05Å; L372-I384 HydrophobicContact CD2-CG2 4.33Å
373V98.8Very high98.3Very high10 Ų1047.8 Ų47.86%0.06123%0.234CC..Hα-helixtrans-58.6-43.9173.81720000110.7Y78 E80 L81 K369 R370 C375 L376 L377Y78-V373 HydrophobicContact CD1-CB 4.46Å; Y78-V373 HydrophobicContact CD1-CG1 4.3Å; Y78-V373 HydrophobicContact CD1-CG2 3.85Å; Y78-V373 HydrophobicContact CD2-CG2 4.2Å; Y78-V373 HydrophobicContact CG-CG2 3.63Å; E80-V373 HydrophobicContact CB-CG2 4.46Å; L81-V373 HydrophobicContact CD1-CG2 3.92Å; L81-V373 HydrophobicContact CD2-CG2 3.8Å; L81-V373 HydrophobicContact CG-CG2 3.7Å; K369-V373 WeakPolarHBondContact O-CG2 3.39Å; K369-V373 PolarHBondContact O-N 3.5Å; R370-V373 PolarHBondContact O-N 2.86Å; V373-C375 VanDerWaalsContact C-N 3.28Å; V373-C375 PolarHBondContact O-N 3.07Å; V373-L376 PolarHBondContact O-N 3.13Å; V373-L376 VanDerWaalsContact O-N 3.16Å; V373-L377 HydrophobicContact CG1-CD1 3.73Å; V373-L377 HydrophobicContact CG1-CG 4.1Å; V373-L377 WeakPolarHBondContact O-CG 3.45Å; V373-L377 PolarHBondContact O-N 2.86Å
374S98.7Very high98.4Very high75 Ų7547.7 Ų47.752%0.52423%0.233SC..Hα-helixtrans-59.4-39.4176.9-57.10000112R370 E371 L372 R378R370-S374 WeakPolarHBondContact O-CB 3.34Å; R370-S374 PolarHBondContact O-N 3.44Å; R370-S374 PolarHBondContact O-OG 2.68Å; E371-S374 WeakPolarHBondContact O-CB 3.37Å; E371-S374 PolarHBondContact O-N 2.9Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 3.47Å; S374-R378 WeakPolarHBondContact O-CB 3.09Å; S374-R378 PolarHBondContact O-N 2.8Å
375C98.8Very high98.4Very high11 Ų1150.7 Ų50.77%0.07425%0.254CS..Hα-helixtrans-65.2-43.9174.8-66.80000112.4Y341 E371 L372 V373 D379Y341-C375 HydrophobicContact CD1-CB 4Å; Y341-C375 HydrophobicContact CD2-CB 4.29Å; Y341-C375 HydrophobicContact CE1-CB 4.48Å; Y341-C375 HydrophobicContact CG-CB 3.91Å; E371-C375 PolarHBondContact O-N 3.43Å; E371-C375 PolarHBondContact O-SG 3.13Å; L372-C375 WeakPolarHBondContact O-CB 3.23Å; L372-C375 PolarHBondContact O-N 2.85Å; L372-C375 VanDerWaalsContact O-N 3.15Å; V373-C375 VanDerWaalsContact C-N 3.28Å; V373-C375 PolarHBondContact O-N 3.07Å; C375-D379 PolarHBondContact O-N 2.77Å
376L98.6Very high98.3Very high0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-61.1-51.6178.3-69.5164.6000111.4E80 L81 Y341 L372 V373 D379 G380 Y381 I384 V387E80-L376 HydrophobicContact CB-CD1 4.22Å; L81-L376 HydrophobicContact CD2-CD1 3.89Å; Y341-L376 HydrophobicContact CD2-CD2 4.17Å; Y341-L376 HydrophobicContact CE2-CD2 3.72Å; Y341-L376 HydrophobicContact CE2-CG 4.39Å; L372-L376 HydrophobicContact CG-CD1 4.41Å; L372-L376 WeakPolarHBondContact O-CG 3.31Å; L372-L376 PolarHBondContact O-N 3.05Å; V373-L376 PolarHBondContact O-N 3.13Å; V373-L376 VanDerWaalsContact O-N 3.16Å; L376-D379 CarbonylContact O-C 3.57Å; L376-D379 PolarHBondContact O-N 3.49Å; L376-G380 PolarHBondContact O-N 3.32Å; L376-G380 VanDerWaalsContact O-N 3.1Å; L376-Y381 PolarHBondContact O-N 3.42Å; L376-I384 HydrophobicContact CD1-CG2 3.59Å; L376-I384 HydrophobicContact CD2-CG2 4.36Å; L376-V387 HydrophobicContact CD2-CG1 3.99Å; L376-V387 HydrophobicContact CD2-CG2 3.84Å
377L98.4Very high98.3Very high97 Ų9754.6 Ų54.651%0.50828%0.275SS..Hα-helixtrans-66.5-39.6-176.8-64.7-179.9000111.9E80 V373 D379 G380E80-L377 HydrophobicContact CG-CD2 4.49Å; V373-L377 HydrophobicContact CG1-CD1 3.73Å; V373-L377 HydrophobicContact CG1-CG 4.1Å; V373-L377 WeakPolarHBondContact O-CG 3.45Å; V373-L377 PolarHBondContact O-N 2.86Å; L377-D379 VanDerWaalsContact C-N 3.26Å; L377-D379 PolarHBondContact O-N 3.29Å; L377-G380 PolarHBondContact O-N 3.03Å; L377-G380 VanDerWaalsContact O-N 3.15Å
378R98.4Very high98.3Very high163 Ų16353.6 Ų53.662%0.61527%0.273SS*.Hα-helixtrans-57.1-41.1174.1-178-163.967.5-141.9-9.5111.7S374 G380S374-R378 WeakPolarHBondContact O-CB 3.09Å; S374-R378 PolarHBondContact O-N 2.8Å; R378-G380 VanDerWaalsContact C-N 3.3Å
379D98.2Very high98.3Very high67 Ų6753.6 Ų53.636%0.35827%0.273SS..THydrogen-bonded Turntrans-90.97.5-177.4-63.2-1.1000112.4Y341 C375 L376 L377 Y381Y341-D379 VanDerWaalsContact CE1-OD2 3.25Å; Y341-D379 WeakPolarHBondContact CE1-OD2 3.39Å; Y341-D379 PolarHBondContact OH-OD2 3.45Å; C375-D379 PolarHBondContact O-N 2.77Å; L376-D379 CarbonylContact O-C 3.57Å; L376-D379 PolarHBondContact O-N 3.49Å; L377-D379 VanDerWaalsContact C-N 3.26Å; L377-D379 PolarHBondContact O-N 3.29Å; D379-Y381 HydrophobicContact CB-CD2 3.79Å; D379-Y381 HydrophobicContact CB-CE2 3.8Å
380G98Very high98.2Very high64 Ų6455.2 Ų55.266%0.6628%0.281SS*.THydrogen-bonded Turntrans82.313.1172.300000115.9L376 L377 R378L376-G380 PolarHBondContact O-N 3.32Å; L376-G380 VanDerWaalsContact O-N 3.1Å; L377-G380 PolarHBondContact O-N 3.03Å; L377-G380 VanDerWaalsContact O-N 3.15Å; R378-G380 VanDerWaalsContact C-N 3.3Å
381Y98.3Very high98.1Very high72 Ų7253.1 Ų53.128%0.28228%0.276SS..  trans-91.5148179.2-61.1-72.6000112.1Y341 L376 D379 D386 V387Y341-Y381 WeakPolarHBondContact OH-CD2 3.16Å; Y341-Y381 VanDerWaalsContact OH-CE2 3.25Å; Y341-Y381 WeakPolarHBondContact OH-CE2 2.86Å; L376-Y381 PolarHBondContact O-N 3.42Å; D379-Y381 HydrophobicContact CB-CD2 3.79Å; D379-Y381 HydrophobicContact CB-CE2 3.8Å; Y381-D386 HydrophobicContact CD1-CB 3.58Å; Y381-D386 HydrophobicContact CE1-CB 4.31Å; Y381-D386 HydrophobicContact CG-CB 4.33Å; Y381-V387 HydrophobicContact CD1-CG1 3.62Å; Y381-V387 HydrophobicContact CD2-CG1 3.33Å; Y381-V387 HydrophobicContact CE1-CG1 3.85Å; Y381-V387 HydrophobicContact CE2-CG1 3.57Å; Y381-V387 HydrophobicContact CG-CG1 3.34Å
382R97Very high97.4Very high219 Ų21951 Ų5183%0.82627%0.269SS*.SBendtrans-108.1-16.7-178.6-65-175.4179.6-174-0.3113.1E80 D386E80-R382 WeakPolarHBondContact CG-O 3.26Å; R382-D386 PolarHBondContact N-OD2 3Å; R382-D386 VanDerWaalsContact N-OD2 3.16Å
383S98.2Very high96.3Very high27 Ų2759.1 Ų59.119%0.18930%0.304CS..SBendtrans-141.9148.9175.5-179.20000110.4E80 S385 D386E80-S383 WeakPolarHBondContact O-CA 3.44Å; S383-S385 PolarHBondContact O-N 2.8Å; S383-S385 VanDerWaalsContact O-N 3.15Å; S383-S385 PolarHBondContact OG-N 3.39Å; S383-S385 VanDerWaalsContact OG-N 3.14Å; S383-S385 PolarHBondContact OG-OG 2.93Å; S383-D386 PolarHBondContact N-OD2 3.49Å; S383-D386 WeakPolarHBondContact O-CB 3.4Å; S383-D386 PolarHBondContact O-N 2.92Å
384I98.3Very high94.4Very high0 Ų065.1 Ų65.10%033%0.329CS..G310 helixtrans-53.9-29.5165.754.9172.6000112.3E80 L81 I83 C93 L344 L372 L376 D386 V387 I388E80-I384 PolarHBondContact O-N 3.07Å; L81-I384 HydrophobicContact CD2-CG2 3.74Å; L81-I384 VanDerWaalsContact O-CD1 3.29Å; L81-I384 WeakPolarHBondContact O-CD1 3.35Å; I83-I384 HydrophobicContact CB-CD1 3.86Å; I83-I384 HydrophobicContact CB-CG1 4.37Å; I83-I384 HydrophobicContact CD1-CD1 4.16Å; I83-I384 HydrophobicContact CD1-CG1 4.42Å; I83-I384 HydrophobicContact CG2-CD1 3.91Å; C93-I384 HydrophobicContact CB-CD1 3.48Å; C93-I384 VanDerWaalsContact CB-CD1 3.48Å; L344-I384 HydrophobicContact CD1-CB 4.07Å; L344-I384 HydrophobicContact CD1-CG2 3.67Å; L372-I384 HydrophobicContact CD2-CG2 4.33Å; L376-I384 HydrophobicContact CD1-CG2 3.59Å; L376-I384 HydrophobicContact CD2-CG2 4.36Å; I384-D386 PolarHBondContact O-N 3.37Å; I384-V387 WeakPolarHBondContact O-CG2 3.43Å; I384-V387 PolarHBondContact O-N 3.29Å; I384-V387 VanDerWaalsContact O-N 3.1Å; I384-I388 WeakPolarHBondContact O-CG1 3.37Å; I384-I388 PolarHBondContact O-N 2.95Å
385S97.8Very high91.9Very high64 Ų6470.8 Ų70.845%0.44834%0.344SS..G310 helixtrans-59.5-28.7177.9-55.70000112.6S383 V387S383-S385 PolarHBondContact O-N 2.8Å; S383-S385 VanDerWaalsContact O-N 3.15Å; S383-S385 PolarHBondContact OG-N 3.39Å; S383-S385 VanDerWaalsContact OG-N 3.14Å; S383-S385 PolarHBondContact OG-OG 2.93Å; S385-V387 PolarHBondContact O-N 2.96Å
386D97.4Very high89.4Confident81 Ų8175.4 Ų75.443%0.43337%0.368SS..G310 helixtrans-71.2-22.8-178.9-56-33.3000112.4Y381 R382 S383 I384 I390Y381-D386 HydrophobicContact CD1-CB 3.58Å; Y381-D386 HydrophobicContact CE1-CB 4.31Å; Y381-D386 HydrophobicContact CG-CB 4.33Å; R382-D386 PolarHBondContact N-OD2 3Å; R382-D386 VanDerWaalsContact N-OD2 3.16Å; S383-D386 PolarHBondContact N-OD2 3.49Å; S383-D386 WeakPolarHBondContact O-CB 3.4Å; S383-D386 PolarHBondContact O-N 2.92Å; I384-D386 PolarHBondContact O-N 3.37Å; D386-I390 WeakPolarHBondContact O-CG2 3.32Å
387V98Very high86.5Confident0 Ų081.3 Ų81.30%041%0.405CS..THydrogen-bonded Turntrans-107.5-8.9-172.7-57.90000113.8Y341 L344 K345 L376 Y381 I384 S385 G389 I390Y341-V387 HydrophobicContact CD2-CG2 4.38Å; Y341-V387 HydrophobicContact CE2-CB 4.1Å; Y341-V387 HydrophobicContact CE2-CG1 3.9Å; Y341-V387 HydrophobicContact CE2-CG2 3.92Å; L344-V387 HydrophobicContact CB-CG2 4.08Å; K345-V387 WeakPolarHBondContact CA-O 3.23Å; K345-V387 HydrophobicContact CG-CB 4.31Å; L376-V387 HydrophobicContact CD2-CG1 3.99Å; L376-V387 HydrophobicContact CD2-CG2 3.84Å; Y381-V387 HydrophobicContact CD1-CG1 3.62Å; Y381-V387 HydrophobicContact CD2-CG1 3.33Å; Y381-V387 HydrophobicContact CE1-CG1 3.85Å; Y381-V387 HydrophobicContact CE2-CG1 3.57Å; Y381-V387 HydrophobicContact CG-CG1 3.34Å; I384-V387 WeakPolarHBondContact O-CG2 3.43Å; I384-V387 PolarHBondContact O-N 3.29Å; I384-V387 VanDerWaalsContact O-N 3.1Å; S385-V387 PolarHBondContact O-N 2.96Å; V387-G389 PolarHBondContact O-N 2.94Å; V387-G389 VanDerWaalsContact O-N 3.08Å; V387-I390 HydrophobicContact CB-CD1 4.1Å; V387-I390 HydrophobicContact CG1-CD1 4.28Å; V387-I390 WeakPolarHBondContact O-CG1 3.49Å; V387-I390 WeakPolarHBondContact O-CG2 3.49Å; V387-I390 PolarHBondContact O-N 3.29Å
388I98.4Very high83.3Confident27 Ų2785.4 Ų85.414%0.13842%0.421CS..THydrogen-bonded Turntrans-59.4118-178.9-65.3171.4000110.2I83 Y319 L344 I384 I390I83-I388 HydrophobicContact CD1-CD1 3.45Å; I83-I388 VanDerWaalsContact CD1-CD1 3.45Å; Y319-I388 HydrophobicContact CE2-CG2 4.06Å; L344-I388 VanDerWaalsContact O-CA 3.32Å; L344-I388 WeakPolarHBondContact O-CA 3.47Å; I384-I388 WeakPolarHBondContact O-CG1 3.37Å; I384-I388 PolarHBondContact O-N 2.95Å; I388-I390 VanDerWaalsContact C-N 3.3Å; I388-I390 PolarHBondContact O-N 2.98Å
389G98.1Very high80.4Confident0 Ų083.6 Ų83.60%043%0.428CS..THydrogen-bonded Turntrans71.714.2173.800000115.6L344 K345 V387 D391 S392L344-G389 PolarHBondContact O-N 3.41Å; K345-G389 CarbonylContact O-C 3.53Å; K345-G389 WeakPolarHBondContact O-CA 3.28Å; K345-G389 PolarHBondContact O-N 3.5Å; V387-G389 PolarHBondContact O-N 2.94Å; V387-G389 VanDerWaalsContact O-N 3.08Å; G389-D391 PolarHBondContact O-N 2.76Å; G389-S392 VanDerWaalsContact O-CB 3.31Å; G389-S392 WeakPolarHBondContact O-CB 3.43Å; G389-S392 PolarHBondContact O-N 3.07Å
390I97.4Very high77.4Confident34 Ų3485.6 Ų85.617%0.17445%0.445CS..G310 helixtrans-61.2-30.1-178.963.2178.1000113.3K345 D386 V387 I388 S392 K393K345-I390 HydrophobicContact CB-CG1 3.99Å; K345-I390 HydrophobicContact CD-CD1 3.97Å; K345-I390 HydrophobicContact CD-CG1 4.32Å; K345-I390 HydrophobicContact CG-CD1 3.76Å; K345-I390 HydrophobicContact CG-CG1 3.77Å; K345-I390 PolarHBondContact O-N 3.4Å; D386-I390 WeakPolarHBondContact O-CG2 3.32Å; V387-I390 HydrophobicContact CB-CD1 4.1Å; V387-I390 HydrophobicContact CG1-CD1 4.28Å; V387-I390 WeakPolarHBondContact O-CG1 3.49Å; V387-I390 WeakPolarHBondContact O-CG2 3.49Å; V387-I390 PolarHBondContact O-N 3.29Å; I388-I390 VanDerWaalsContact C-N 3.3Å; I388-I390 PolarHBondContact O-N 2.98Å; I390-S392 PolarHBondContact O-N 3.38Å; I390-K393 PolarHBondContact O-N 2.85Å
391D95.7Very high74.5Confident41 Ų4192 Ų9222%0.21946%0.455CS..G310 helixtrans-78.4-10.6177-72-22.2000112.8K316 K345 G389 K394K316-D391 VanDerWaalsContact CE-O 3.23Å; K316-D391 WeakPolarHBondContact CE-O 3.35Å; K316-D391 PolarHBondContact NZ-O 3.2Å; K345-D391 WeakPolarHBondContact CB-OD2 3.46Å; K345-D391 WeakPolarHBondContact CE-OD1 3.42Å; K345-D391 WeakPolarHBondContact CE-OD2 3Å; K345-D391 IonicContact NZ-OD1 2.8Å; K345-D391 IonicContact NZ-OD2 2.62Å; K345-D391 PolarHBondContact O-N 2.9Å; K345-D391 VanDerWaalsContact O-N 3.11Å; G389-D391 PolarHBondContact O-N 2.76Å; D391-K394 IonicContact OD1-NZ 3.63Å
392S84.2Confident71.7Confident19 Ų1994.7 Ų94.713%0.13348%0.482CS..G310 helixtrans-82.6-20.4174.6-68.90000112.7Y319 A346 G389 I390Y319-S392 WeakPolarHBondContact CD1-OG 3.26Å; A346-S392 PolarHBondContact O-OG 3.33Å; G389-S392 VanDerWaalsContact O-CB 3.31Å; G389-S392 WeakPolarHBondContact O-CB 3.43Å; G389-S392 PolarHBondContact O-N 3.07Å; I390-S392 PolarHBondContact O-N 3.38Å
393K76.3Confident69Low170 Ų17089.1 Ų89.174%0.73947%0.473SS*.SBendtrans-81-22.8178.9-65.1-178.7-177.9174.50113.9I390 K395I390-K393 PolarHBondContact O-N 2.85Å; K393-K395 PolarHBondContact O-N 3.36Å; K393-K395 VanDerWaalsContact O-N 3.12Å
394K59.1Low66.6Low137 Ų13792.5 Ų92.560%0.59650%0.503SS*.SBendtrans-67.2112.3175.4-69.4178.4179.7170.10107.9R320 D391 D396R320-K394 PolarHBondContact NH2-O 3.07Å; D391-K394 IonicContact OD1-NZ 3.63Å; K394-D396 PolarHBondContact O-N 3.15Å
395K45.5Very low63.7Low193 Ų19399 Ų9984%0.83954%0.537SS*.  trans-53.7122.6161.9-80-177176.5179.60105.4K393 T397K393-K395 PolarHBondContact O-N 3.36Å; K393-K395 VanDerWaalsContact O-N 3.12Å; K395-T397 VanDerWaalsContact C-N 3.29Å; K395-T397 PolarHBondContact O-N 2.9Å
396D46.6Very low61Low108 Ų108107.9 Ų107.958%0.57858%0.578SS**  trans-57.2102.5171.1-67.1-44.6000105.3R320 K394 Q398R320-D396 IonicContact CZ-OD2 2.74Å; R320-D396 IonicContact NH1-OD2 3.79Å; R320-D396 PolarHBondContact NH1-OD2 3.24Å; R320-D396 IonicContact NH2-OD1 3.61Å; R320-D396 IonicContact NH2-OD2 3.65Å; R320-D396 PolarHBondContact NH2-OD2 3.22Å; K394-D396 PolarHBondContact O-N 3.15Å; D396-Q398 PolarHBondContact O-N 3.18Å
397T36.3Very low59.2Low125 Ų125109.2 Ų109.277%0.76759%0.585SS**  trans-62.796.7169.641.20000104.5K395 V399K395-T397 VanDerWaalsContact C-N 3.29Å; K395-T397 PolarHBondContact O-N 2.9Å; T397-V399 VanDerWaalsContact C-N 3.31Å; T397-V399 PolarHBondContact O-N 3.07Å
398Q32Very low57.1Low182 Ų182114.9 Ų114.985%0.8562%0.616SS**  trans-53.4106.3163.7-80.1179.5-22.100105.4D396 P400D396-Q398 PolarHBondContact O-N 3.18Å; Q398-P400 WeakPolarHBondContact O-CD 3.49Å; Q398-P400 VanDerWaalsContact O-N 3.12Å
399V36.8Very low54.8Low125 Ų125119.8 Ų119.876%0.75864%0.643SS**  trans-57.8117.1165-178.30000104.2T397 F401T397-V399 VanDerWaalsContact C-N 3.31Å; T397-V399 PolarHBondContact O-N 3.07Å; V399-F401 PolarHBondContact O-N 3.37Å; V399-F401 VanDerWaalsContact O-N 3.13Å
400P35.7Very low52.3Low110 Ų110126.9 Ų126.971%0.71468%0.681SS**  trans-61.5124.9179.7-2.712.7000106.6Q398 C402Q398-P400 WeakPolarHBondContact O-CD 3.49Å; Q398-P400 VanDerWaalsContact O-N 3.12Å; P400-C402 VanDerWaalsContact C-N 3.33Å; P400-C402 PolarHBondContact O-N 2.75Å
401F37.8Very low49.5Very low199 Ų199132.7 Ų132.787%0.87371%0.712SS**  trans-53103.4165-108.9-99.4000107V399 V403V399-F401 PolarHBondContact O-N 3.37Å; V399-F401 VanDerWaalsContact O-N 3.13Å; F401-V403 PolarHBondContact O-N 3.38Å
402C39.5Very low46.4Very low127 Ų127138.8 Ų138.886%0.85875%0.745SS**  trans-69.692.1166.6-116.70000106.1P400 A404P400-C402 VanDerWaalsContact C-N 3.33Å; P400-C402 PolarHBondContact O-N 2.75Å; C402-A404 VanDerWaalsContact C-N 3.34Å; C402-A404 PolarHBondContact O-N 2.97Å; C402-A404 VanDerWaalsContact O-N 3.12Å
403V39.4Very low43.7Very low102 Ų102147.4 Ų147.462%0.61879%0.789SS**  trans-71.298.7162.4-176.20000105.5F401 N405F401-V403 PolarHBondContact O-N 3.38Å; V403-N405 VanDerWaalsContact C-N 3.29Å; V403-N405 PolarHBondContact O-N 2.92Å
404A47.7Very low41.2Very low99 Ų99145.6 Ų145.682%0.81879%0.793SS**  trans-7194.3164.100000107.2C402C402-A404 VanDerWaalsContact C-N 3.34Å; C402-A404 PolarHBondContact O-N 2.97Å; C402-A404 VanDerWaalsContact O-N 3.12Å
405N37.8Very low39.7Very low137 Ų137146.3 Ų146.373%0.73381%0.809SS**  trans-85.9117.8163.1-88.5-22.3000108.6V403V403-N405 VanDerWaalsContact C-N 3.29Å; V403-N405 PolarHBondContact O-N 2.92Å
406L41Very low39.1Very low249 Ų249142.1 Ų142.1100%1.30481%0.806SS**  trans138.50146-77167.1000111.6

Retrieved 406 of 406 residues in 408.6 ms (Link to these results)

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