A0A087Y2D1_POEFO Loading...

Protein-glucosylgalactosylhydroxylysine glucosidase

Catalyzes the hydrolysis of glucose from the disaccharide unit linked to hydroxylysine residues of collagen and collagen-like proteins.

AlphaFold DB , UniProt , Accession A0A087Y2D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 697 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low73.4Confident241 Ų24184.6 Ų84.6100%1.18749%0.494SS*.  0129.70-68.2175.6-175.700105.5C3M1-C3 PolarHBondContact O-N 2.93Å
2S32.9Very low75.4Confident101 Ų10180 Ų8071%0.70647%0.468SS*.  trans-56.4122-154.757.10000113D4S2-D4 PolarHBondContact O-N 3.25Å
3C39.8Very low77Confident130 Ų13083.3 Ų83.388%0.87848%0.483SS*.  trans-83.422-178.5-1440000112.8M1M1-C3 PolarHBondContact O-N 2.93Å
4D52Low78.2Confident151 Ų15181.3 Ų81.381%0.80748%0.481SS*.  trans-1201.4-157.5-74.6-26.5000116.3S2S2-D4 PolarHBondContact O-N 3.25Å
5S78.8Confident79.4Confident63 Ų6378.5 Ų78.544%0.44146%0.462SS..  trans-95.5113.8172.568.80000110.8E245S5-E245 PolarHBondContact OG-OE1 3.29Å
6D91.8Very high80.3Confident67 Ų6775.3 Ų75.336%0.35844%0.444SS..  trans-55.5120.2171.6-173.3-17.2000110.5Y8 V9 H80D6-Y8 PolarHBondContact O-N 3.37Å; D6-Y8 VanDerWaalsContact O-N 3.09Å; D6-Y8 WeakPolarHBondContact OD1-CB 3.45Å; D6-Y8 PolarHBondContact OD1-N 2.75Å; D6-V9 HydrophobicContact CB-CB 4.4Å; D6-V9 HydrophobicContact CB-CG2 4.1Å; D6-V9 PolarHBondContact O-N 3.38Å; D6-V9 VanDerWaalsContact O-N 3.13Å; D6-H80 IonicContact OD1-NE2 2.97Å; D6-H80 IonicContact OD2-CD2 3.6Å; D6-H80 IonicContact OD2-NE2 3.4Å; D6-H80 PolarHBondContact OD2-NE2 3.08Å
7P92.1Very high81Confident37 Ų3780.9 Ų80.924%0.2447%0.472CS..THydrogen-bonded Turntrans-65.9-10.5-178.327.7-34.9000113.7F10 K249P7-F10 WeakPolarHBondContact O-CE1 3.41Å; P7-K249 HydrophobicContact CB-CG 4.2Å
8Y95.4Very high81.8Confident13 Ų1379.1 Ų79.15%0.05146%0.46CS..THydrogen-bonded Turntrans-89.7-6.3176.4-69.3-100.5000114.1D6 T79 H80 W234 V252D6-Y8 PolarHBondContact O-N 3.37Å; D6-Y8 VanDerWaalsContact O-N 3.09Å; D6-Y8 WeakPolarHBondContact OD1-CB 3.45Å; D6-Y8 PolarHBondContact OD1-N 2.75Å; Y8-T79 VanDerWaalsContact CA-OG1 3.29Å; Y8-T79 WeakPolarHBondContact CA-OG1 3.35Å; Y8-T79 WeakPolarHBondContact CB-OG1 3.42Å; Y8-T79 WeakPolarHBondContact CD1-OG1 3.4Å; Y8-T79 WeakPolarHBondContact O-CB 3.38Å; Y8-T79 PolarHBondContact O-N 3.12Å; Y8-T79 PolarHBondContact O-OG1 3.04Å; Y8-H80 WeakPolarHBondContact CB-NE2 3.47Å; Y8-H80 AromaticContact CD1-CE1 3.5Å; Y8-H80 VanDerWaalsContact CD1-CE1 3.5Å; Y8-H80 WeakPolarHBondContact CD1-CE1 3.21Å; Y8-H80 AromaticContact CD1-ND1 3.52Å; Y8-H80 AromaticContact CD2-CE1 3.35Å; Y8-H80 WeakPolarHBondContact CD2-CE1 3.42Å; Y8-H80 AromaticContact CD2-NE2 3.67Å; Y8-H80 AromaticContact CE1-CE1 3.98Å; Y8-H80 AromaticContact CE2-CE1 3.87Å; Y8-H80 AromaticContact CG-CE1 3.16Å; Y8-H80 AromaticContact CG-ND1 3.6Å; Y8-H80 AromaticContact CG-NE2 3.52Å; Y8-W234 HydrophobicContact CD1-CZ2 4.3Å; Y8-W234 HydrophobicContact CE1-CD2 4.24Å; Y8-W234 HydrophobicContact CE1-CE3 4.1Å; Y8-W234 HydrophobicContact CE1-CH2 4.01Å; Y8-W234 HydrophobicContact CE1-CZ2 4.15Å; Y8-W234 AromaticContact CE1-CZ3 3.99Å; Y8-W234 HydrophobicContact CE1-CZ3 3.99Å; Y8-V252 HydrophobicContact CD1-CB 4.49Å; Y8-V252 HydrophobicContact CD1-CG1 3.39Å; Y8-V252 HydrophobicContact CD1-CG2 4.25Å; Y8-V252 HydrophobicContact CD2-CG1 4.45Å; Y8-V252 HydrophobicContact CD2-CG2 4.31Å; Y8-V252 HydrophobicContact CE1-CB 4.47Å; Y8-V252 HydrophobicContact CE1-CG1 3.73Å; Y8-V252 HydrophobicContact CE1-CG2 3.92Å; Y8-V252 HydrophobicContact CE2-CG2 3.96Å; Y8-V252 HydrophobicContact CG-CG1 3.79Å; Y8-V252 HydrophobicContact CG-CG2 4.43Å
9V96.9Very high82.3Confident48 Ų4879.4 Ų79.429%0.29147%0.465SS..EExtended strand (participates in β ladder)trans-117.6113.8-175.3-175.60000110.5D6 T76D6-V9 HydrophobicContact CB-CB 4.4Å; D6-V9 HydrophobicContact CB-CG2 4.1Å; D6-V9 PolarHBondContact O-N 3.38Å; D6-V9 VanDerWaalsContact O-N 3.13Å; V9-T76 HydrophobicContact CG1-CG2 3.45Å; V9-T76 VanDerWaalsContact CG1-CG2 3.45Å
10F96.6Very high82.9Confident8 Ų880 Ų804%0.03546%0.459CS..EExtended strand (participates in β ladder)trans-102118.2178.6-51.4-41.8000110P7 T76 L77 T79 K249 V252 F564 Q565P7-F10 WeakPolarHBondContact O-CE1 3.41Å; F10-T76 CarbonylContact O-C 3.33Å; F10-T76 VanDerWaalsContact O-CA 3.27Å; F10-T76 WeakPolarHBondContact O-CA 3.43Å; F10-L77 HydrophobicContact CD2-CD2 4.22Å; F10-L77 PolarHBondContact N-O 3.02Å; F10-L77 PolarHBondContact O-N 3.2Å; F10-T79 HydrophobicContact CD2-CG2 4.05Å; F10-T79 HydrophobicContact CE2-CG2 3.56Å; F10-T79 HydrophobicContact CZ-CG2 4.24Å; F10-K249 HydrophobicContact CE1-CB 4.25Å; F10-K249 HydrophobicContact CE1-CG 4.25Å; F10-V252 HydrophobicContact CZ-CG1 4.43Å; F10-F564 HydrophobicContact CB-CD1 4.13Å; F10-Q565 HydrophobicContact CD1-CG 4.13Å; F10-Q565 HydrophobicContact CD2-CG 3.98Å; F10-Q565 HydrophobicContact CE1-CG 3.69Å; F10-Q565 HydrophobicContact CE2-CB 4Å; F10-Q565 HydrophobicContact CE2-CG 3.52Å; F10-Q565 HydrophobicContact CG-CG 4.27Å; F10-Q565 HydrophobicContact CZ-CB 4.24Å; F10-Q565 HydrophobicContact CZ-CG 3.38Å
11T95.8Very high83.5Confident72 Ų7277 Ų7744%0.44244%0.44SS..EExtended strand (participates in β ladder)trans-128.2142.7-173.7-620000111.9N74 Y75 T76T11-N74 WeakPolarHBondContact CG2-OD1 3.09Å; T11-Y75 CarbonylContact C-O 3.58Å; T11-Y75 VanDerWaalsContact CA-O 3.27Å; T11-Y75 WeakPolarHBondContact CA-O 3.19Å; T11-T76 WeakPolarHBondContact CG2-OG1 3.39Å; T11-T76 PolarHBondContact OG1-OG1 2.65Å
12T96.4Very high86.4Confident29 Ų2966.4 Ų66.418%0.17839%0.389CS..EExtended strand (participates in β ladder)trans-150.5157.3177.4-173.30000110.9A14 Y75 P563 F564T12-A14 WeakPolarHBondContact CG2-O 3.35Å; T12-A14 PolarHBondContact OG1-N 3.06Å; T12-A14 PolarHBondContact OG1-O 3.07Å; T12-A14 VanDerWaalsContact OG1-O 3.08Å; T12-Y75 HydrophobicContact CG2-CD2 4.44Å; T12-Y75 PolarHBondContact N-O 3.21Å; T12-Y75 PolarHBondContact O-N 2.91Å; T12-P563 HydrophobicContact CG2-CB 4.27Å; T12-P563 HydrophobicContact CG2-CG 3.55Å; T12-F564 HydrophobicContact CG2-CE1 4.28Å; T12-F564 HydrophobicContact CG2-CE2 4.33Å; T12-F564 HydrophobicContact CG2-CZ 3.68Å
13D96.3Very high89.4Confident123 Ų12361.6 Ų61.666%0.65836%0.355SS*.SBendtrans-89.7-13.4174.356.4-12.3000113.3
14A94.8Very high92.1Very high55 Ų5555.6 Ų55.646%0.45531%0.314SS..SBendtrans-138.4141.7179.100000112.1T12T12-A14 WeakPolarHBondContact CG2-O 3.35Å; T12-A14 PolarHBondContact OG1-N 3.06Å; T12-A14 PolarHBondContact OG1-O 3.07Å; T12-A14 VanDerWaalsContact OG1-O 3.08Å
15L95.1Very high94.3Very high39 Ų3948.5 Ų48.520%0.20428%0.277CS..  trans-68.5153.8172.5-66176.5000111L22 F35 Y75 F84 F564L15-L22 HydrophobicContact CB-CD2 4.14Å; L15-L22 HydrophobicContact CD1-CD2 4.12Å; L15-L22 HydrophobicContact CD2-CD2 3.82Å; L15-L22 HydrophobicContact CG-CD2 4.24Å; L15-F35 HydrophobicContact CD1-CD2 4.14Å; L15-F35 HydrophobicContact CD1-CE2 3.91Å; L15-Y75 HydrophobicContact CD1-CE1 4.03Å; L15-Y75 HydrophobicContact CD2-CD1 3.57Å; L15-Y75 HydrophobicContact CD2-CD2 4.09Å; L15-Y75 HydrophobicContact CD2-CE1 3.88Å; L15-Y75 HydrophobicContact CD2-CE2 4.39Å; L15-Y75 HydrophobicContact CD2-CG 3.67Å; L15-Y75 HydrophobicContact CG-CD1 4.05Å; L15-Y75 HydrophobicContact CG-CD2 4.17Å; L15-Y75 HydrophobicContact CG-CE1 3.84Å; L15-Y75 HydrophobicContact CG-CE2 4Å; L15-Y75 HydrophobicContact CG-CG 4.19Å; L15-F84 HydrophobicContact CD2-CZ 4.11Å; L15-F564 HydrophobicContact CD2-CE2 4.42Å
16P94.1Very high95.2Very high27 Ų2746 Ų4618%0.17526%0.26CS..  trans-51.6141.5172.3-2734.1000112.9D18 F21 F564P16-D18 VanDerWaalsContact C-N 3.32Å; P16-F21 HydrophobicContact CB-CB 4.27Å; P16-F21 HydrophobicContact CG-CB 4.42Å; P16-F564 HydrophobicContact CG-CD2 4.35Å; P16-F564 HydrophobicContact CG-CE2 4.32Å
17N92.6Very high95.4Very high172 Ų17242.8 Ų42.892%0.9224%0.242SC*.SBendtrans-66.2-36174.8-70-33000112P19N17-P19 WeakPolarHBondContact O-CD 3.32Å
18D94.4Very high95.4Very high48 Ų4841.4 Ų41.426%0.25724%0.235SC..SBendtrans-89.3111.7172.2-175.4-16000108.9P16 R20 F21P16-D18 VanDerWaalsContact C-N 3.32Å; D18-R20 PolarHBondContact O-N 3Å; D18-R20 VanDerWaalsContact O-N 3.12Å; D18-R20 VanDerWaalsContact OD1-CB 3.25Å; D18-R20 WeakPolarHBondContact OD1-CB 3.4Å; D18-R20 VanDerWaalsContact OD1-CG 3.24Å; D18-R20 WeakPolarHBondContact OD1-CG 3.08Å; D18-R20 PolarHBondContact OD1-N 3.46Å; D18-R20 IonicContact OD1-NE 2.71Å; D18-R20 PolarHBondContact OD1-NE 2.85Å; D18-R20 IonicContact OD2-CZ 3.43Å; D18-R20 VanDerWaalsContact OD2-CZ 3.27Å; D18-R20 IonicContact OD2-NE 2.67Å; D18-R20 PolarHBondContact OD2-NE 3.22Å; D18-R20 IonicContact OD2-NH2 3.82Å; D18-R20 PolarHBondContact OD2-NH2 3.47Å; D18-F21 HydrophobicContact CB-CD2 3.74Å; D18-F21 HydrophobicContact CB-CE2 3.91Å; D18-F21 PolarHBondContact O-N 3.3Å; D18-F21 VanDerWaalsContact O-N 3.14Å; D18-F21 WeakPolarHBondContact OD2-CE2 3.35Å
19P92.6Very high95.4Very high84 Ų8441.7 Ų41.755%0.54524%0.237SC..G310 helixtrans-64.9-16.1-176.227.9-35.6000113.2N17 F21 L22N17-P19 WeakPolarHBondContact O-CD 3.32Å; P19-F21 PolarHBondContact O-N 2.86Å; P19-L22 HydrophobicContact CB-CD1 4.15Å; P19-L22 WeakPolarHBondContact O-CB 3.48Å; P19-L22 WeakPolarHBondContact O-CG 3.26Å; P19-L22 PolarHBondContact O-N 3.02Å
20R93.9Very high95.3Very high91 Ų9139.4 Ų39.434%0.34322%0.223SC..G310 helixtrans-62-24.5174.6-62-177.1-59.9143.55.8112.7D18 G573 V577D18-R20 PolarHBondContact O-N 3Å; D18-R20 VanDerWaalsContact O-N 3.12Å; D18-R20 VanDerWaalsContact OD1-CB 3.25Å; D18-R20 WeakPolarHBondContact OD1-CB 3.4Å; D18-R20 VanDerWaalsContact OD1-CG 3.24Å; D18-R20 WeakPolarHBondContact OD1-CG 3.08Å; D18-R20 PolarHBondContact OD1-N 3.46Å; D18-R20 IonicContact OD1-NE 2.71Å; D18-R20 PolarHBondContact OD1-NE 2.85Å; D18-R20 IonicContact OD2-CZ 3.43Å; D18-R20 VanDerWaalsContact OD2-CZ 3.27Å; D18-R20 IonicContact OD2-NE 2.67Å; D18-R20 PolarHBondContact OD2-NE 3.22Å; D18-R20 IonicContact OD2-NH2 3.82Å; D18-R20 PolarHBondContact OD2-NH2 3.47Å; R20-G573 PolarHBondContact NH2-O 3.37Å; R20-V577 HydrophobicContact CB-CB 4.45Å; R20-V577 HydrophobicContact CB-CG1 3.95Å; R20-V577 HydrophobicContact CB-CG2 4.15Å
21F95.8Very high95.3Very high17 Ų1739 Ų398%0.07522%0.222CC..G310 helixtrans-9712.1179.7-53.2-50.8000113.8P16 D18 P19 Q561 V566 V577P16-F21 HydrophobicContact CB-CB 4.27Å; P16-F21 HydrophobicContact CG-CB 4.42Å; D18-F21 HydrophobicContact CB-CD2 3.74Å; D18-F21 HydrophobicContact CB-CE2 3.91Å; D18-F21 PolarHBondContact O-N 3.3Å; D18-F21 VanDerWaalsContact O-N 3.14Å; D18-F21 WeakPolarHBondContact OD2-CE2 3.35Å; P19-F21 PolarHBondContact O-N 2.86Å; F21-Q561 HydrophobicContact CB-CB 4.27Å; F21-Q561 HydrophobicContact CD1-CB 3.74Å; F21-Q561 HydrophobicContact CD1-CG 3.73Å; F21-Q561 HydrophobicContact CD2-CB 4.12Å; F21-Q561 HydrophobicContact CD2-CG 4.28Å; F21-Q561 HydrophobicContact CE1-CB 4.1Å; F21-Q561 HydrophobicContact CE1-CG 3.54Å; F21-Q561 HydrophobicContact CE2-CB 4.45Å; F21-Q561 HydrophobicContact CE2-CG 4.12Å; F21-Q561 HydrophobicContact CG-CB 3.77Å; F21-Q561 HydrophobicContact CG-CG 4.12Å; F21-Q561 HydrophobicContact CZ-CB 4.44Å; F21-Q561 HydrophobicContact CZ-CG 3.74Å; F21-V566 HydrophobicContact CD1-CG1 4.17Å; F21-V577 HydrophobicContact CD1-CB 4.49Å; F21-V577 HydrophobicContact CD1-CG1 4.24Å; F21-V577 HydrophobicContact CE1-CB 4.23Å; F21-V577 HydrophobicContact CE1-CG1 3.58Å; F21-V577 HydrophobicContact CZ-CG1 4.32Å
22L96.4Very high95.3Very high19 Ų1935.6 Ų35.610%0.09920%0.201CC..SBendtrans-61.5140.9163.3-71.1170.5000109.6L15 P19 P24 V34L15-L22 HydrophobicContact CB-CD2 4.14Å; L15-L22 HydrophobicContact CD1-CD2 4.12Å; L15-L22 HydrophobicContact CD2-CD2 3.82Å; L15-L22 HydrophobicContact CG-CD2 4.24Å; P19-L22 HydrophobicContact CB-CD1 4.15Å; P19-L22 WeakPolarHBondContact O-CB 3.48Å; P19-L22 WeakPolarHBondContact O-CG 3.26Å; P19-L22 PolarHBondContact O-N 3.02Å; L22-P24 WeakPolarHBondContact O-CD 3.4Å; L22-V34 HydrophobicContact CB-CG2 3.98Å; L22-V34 HydrophobicContact CD2-CG2 4.27Å
23P96.6Very high95.3Very high0 Ų035 Ų350%020%0.196CC..PPolyproline II helixtrans-65.9125.4-171.423.5-31.7000110.7V34 L77 F84 F564P23-V34 VanDerWaalsContact CD-CG2 3.45Å; P23-V34 HydrophobicContact CG-CG1 4.28Å; P23-V34 HydrophobicContact CG-CG2 3.63Å; P23-V34 PolarHBondContact O-N 3.31Å; P23-L77 HydrophobicContact CB-CD2 3.9Å; P23-F84 HydrophobicContact CG-CD2 3.5Å; P23-F84 HydrophobicContact CG-CE2 3.68Å; P23-F84 HydrophobicContact CG-CG 4.38Å; P23-F564 HydrophobicContact CB-CB 4Å; P23-F564 HydrophobicContact CB-CD2 4.35Å; P23-F564 HydrophobicContact CB-CG 4.09Å; P23-F564 VanDerWaalsContact CD-CD2 3.49Å; P23-F564 HydrophobicContact CG-CB 4.44Å; P23-F564 HydrophobicContact CG-CD1 4.35Å; P23-F564 HydrophobicContact CG-CD2 3.92Å; P23-F564 HydrophobicContact CG-CE2 4.2Å; P23-F564 HydrophobicContact CG-CG 3.98Å
24P96.6Very high95.2Very high4 Ų429.1 Ų29.13%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-74.6136.8170.428-30.8000110.6L22 K33 Y257 S281 N578L22-P24 WeakPolarHBondContact O-CD 3.4Å; P24-K33 HydrophobicContact CB-CG 4.33Å; P24-Y257 HydrophobicContact CG-CD1 3.85Å; P24-Y257 HydrophobicContact CG-CE1 3.62Å; P24-S281 WeakPolarHBondContact CB-OG 3.44Å; P24-N578 HydrophobicContact CG-CB 3.82Å; P24-N578 WeakPolarHBondContact CG-OD1 3.25Å
25L97.6Very high95.2Very high3 Ų327.4 Ų27.42%0.01615%0.146CC..EExtended strand (participates in β ladder)trans-112.4128172.1-56.3178.3000108.3G31 W32 V34 L77 F84 L99 C101 S281L25-G31 WeakPolarHBondContact O-CA 3.3Å; L25-W32 PolarHBondContact N-O 2.8Å; L25-W32 PolarHBondContact O-N 2.72Å; L25-V34 HydrophobicContact CD1-CG1 3.49Å; L25-V34 VanDerWaalsContact CD1-CG1 3.49Å; L25-V34 HydrophobicContact CG-CG1 3.81Å; L25-L77 HydrophobicContact CD2-CD1 4.01Å; L25-F84 HydrophobicContact CD1-CB 4.07Å; L25-F84 HydrophobicContact CD2-CB 4.29Å; L25-L99 HydrophobicContact CD1-CB 4.11Å; L25-L99 WeakPolarHBondContact CD1-O 3.06Å; L25-C101 VanDerWaalsContact C-SG 3.57Å; L25-C101 PolarHBondContact O-SG 3.06Å; L25-S281 PolarHBondContact O-OG 3.49Å
26A96.9Very high95.2Very high10 Ų1028 Ų288%0.08315%0.15CC..EExtended strand (participates in β ladder)trans-146.7161.4-179.800000112L30 S260 L280A26-L30 WeakPolarHBondContact CA-O 3.48Å; A26-S260 CarbonylContact C-O 3.29Å; A26-S260 WeakPolarHBondContact CB-O 3.5Å; A26-L280 HydrophobicContact CB-CB 4.26Å; A26-L280 HydrophobicContact CB-CD2 4.35Å
27N95.7Very high95.2Very high0 Ų029.1 Ų29.10%016%0.158CC..  trans-139.122.5177.164.88.5000113.3L29 L30 C101 H102 A106 S260 F262N27-L29 PolarHBondContact O-N 3.45Å; N27-L29 PolarHBondContact OD1-N 3.27Å; N27-L29 VanDerWaalsContact OD1-N 3.12Å; N27-L30 PolarHBondContact N-O 2.86Å; N27-L30 VanDerWaalsContact N-O 3.14Å; N27-L30 PolarHBondContact OD1-N 2.88Å; N27-L30 PolarHBondContact OD1-O 3.47Å; N27-C101 HydrophobicContact CB-CB 3.97Å; N27-H102 WeakPolarHBondContact CB-O 3.27Å; N27-H102 PolarHBondContact ND2-O 3.07Å; N27-A106 WeakPolarHBondContact ND2-CA 3.07Å; N27-A106 PolarHBondContact ND2-O 3.22Å; N27-A106 PolarHBondContact OD1-O 2.69Å; N27-S260 CarbonylContact C-O 3.52Å; N27-S260 WeakPolarHBondContact CA-O 3.32Å; N27-S260 PolarHBondContact N-O 2.98Å; N27-S260 VanDerWaalsContact N-O 3.11Å; N27-F262 CarbonylContact C-O 3.6Å
28G93.2Very high95.4Very high8 Ų822.6 Ų22.68%0.08212%0.123CC..SBendtrans78.8-11.2-176.100000116.4S260 A261 F262G28-S260 PolarHBondContact N-O 3.19Å; G28-A261 WeakPolarHBondContact CA-O 3.11Å; G28-F262 VanDerWaalsContact CA-C 3.45Å; G28-F262 WeakPolarHBondContact CA-O 3.24Å; G28-F262 PolarHBondContact N-O 2.87Å
29L94.8Very high95.5Very high19 Ų1920.3 Ų20.310%0.09911%0.111CC..SBendtrans-118.4-45.9170.9-177.161.3000112.2N27 M41 G42 A106 N107N27-L29 PolarHBondContact O-N 3.45Å; N27-L29 PolarHBondContact OD1-N 3.27Å; N27-L29 VanDerWaalsContact OD1-N 3.12Å; L29-M41 HydrophobicContact CD1-CE 3.86Å; L29-M41 HydrophobicContact CD1-CG 4.06Å; L29-M41 HydrophobicContact CD2-CE 4.32Å; L29-M41 HydrophobicContact CG-CE 4.29Å; L29-M41 HydrophobicContact CG-CG 4.35Å; L29-M41 CarbonylContact O-C 3.57Å; L29-M41 VanDerWaalsContact O-CA 3.29Å; L29-M41 WeakPolarHBondContact O-CA 3.31Å; L29-G42 PolarHBondContact O-N 3.31Å; L29-A106 HydrophobicContact CB-CB 3.79Å; L29-A106 HydrophobicContact CD2-CB 3.87Å; L29-N107 WeakPolarHBondContact CD2-ND2 3.46Å
30L96.3Very high95.7Very high0 Ų016.5 Ų16.50%09%0.086CC..EExtended strand (participates in β ladder)trans-108.4138.7176.5-55.4-177.9000109.9A26 N27 M39 M41 A106 N107 V199 L280A26-L30 WeakPolarHBondContact CA-O 3.48Å; N27-L30 PolarHBondContact N-O 2.86Å; N27-L30 VanDerWaalsContact N-O 3.14Å; N27-L30 PolarHBondContact OD1-N 2.88Å; N27-L30 PolarHBondContact OD1-O 3.47Å; L30-M39 HydrophobicContact CB-CE 4.12Å; L30-M39 HydrophobicContact CD1-CE 4.16Å; L30-M39 HydrophobicContact CD2-CE 3.77Å; L30-M39 HydrophobicContact CG-CE 4.22Å; L30-M41 HydrophobicContact CD2-CB 4.01Å; L30-M41 HydrophobicContact CD2-CG 3.9Å; L30-M41 HydrophobicContact CD2-SD 4.46Å; L30-A106 WeakPolarHBondContact CD1-O 3.5Å; L30-A106 WeakPolarHBondContact CG-O 3.33Å; L30-N107 WeakPolarHBondContact CD1-O 3.25Å; L30-V199 HydrophobicContact CD1-CB 4.42Å; L30-V199 HydrophobicContact CD1-CG2 4.47Å; L30-V199 HydrophobicContact CD2-CB 3.88Å; L30-V199 HydrophobicContact CD2-CG1 4.43Å; L30-V199 HydrophobicContact CD2-CG2 4.43Å; L30-L280 VanDerWaalsContact C-CD2 3.49Å; L30-L280 WeakPolarHBondContact O-CD2 3.44Å
31G96.4Very high95.8Very high0 Ų012.6 Ų12.60%07%0.072CC..EExtended strand (participates in β ladder)trans-132.3132.3173.500000110.6L25 M39 H40 S281L25-G31 WeakPolarHBondContact O-CA 3.3Å; G31-M39 WeakPolarHBondContact O-CB 3.48Å; G31-H40 PolarHBondContact N-O 2.85Å; G31-H40 PolarHBondContact O-N 3.14Å; G31-S281 WeakPolarHBondContact CA-OG 3.34Å
32W95.9Very high95.7Very high0 Ų012.3 Ų12.30%07%0.073CC..EExtended strand (participates in β ladder)trans-146.3132.9-178.9179.649.5000110.7L25 D36 M39 A62 L99 L109 S281L25-W32 PolarHBondContact N-O 2.8Å; L25-W32 PolarHBondContact O-N 2.72Å; W32-D36 PolarHBondContact NE1-O 3.19Å; W32-M39 HydrophobicContact CB-CB 4.02Å; W32-M39 HydrophobicContact CG-CB 4.18Å; W32-A62 HydrophobicContact CZ2-CB 4.36Å; W32-L99 HydrophobicContact CH2-CD1 3.77Å; W32-L99 HydrophobicContact CH2-CD2 4.08Å; W32-L99 HydrophobicContact CH2-CG 4.41Å; W32-L99 HydrophobicContact CZ3-CB 4.1Å; W32-L99 HydrophobicContact CZ3-CD1 3.92Å; W32-L99 HydrophobicContact CZ3-CD2 4.05Å; W32-L99 HydrophobicContact CZ3-CG 4.25Å; W32-L109 HydrophobicContact CD2-CD2 4.31Å; W32-L109 HydrophobicContact CE3-CD1 3.84Å; W32-L109 HydrophobicContact CE3-CD2 3.96Å; W32-L109 HydrophobicContact CE3-CG 4.41Å; W32-L109 HydrophobicContact CZ3-CD2 4.26Å; W32-S281 PolarHBondContact N-OG 3.28Å; W32-S281 PolarHBondContact O-OG 3.12Å
33K95.6Very high95.4Very high16 Ų1612 Ų127%0.078%0.075CC..EExtended strand (participates in β ladder)trans-81.9131.7166.1-75.1-179.7-62-154.80108.4P24 F35 D36 N282P24-K33 HydrophobicContact CB-CG 4.33Å; K33-F35 PolarHBondContact O-N 3.44Å; K33-D36 HydrophobicContact CB-CB 4.01Å; K33-D36 WeakPolarHBondContact CE-OD2 3.42Å; K33-D36 IonicContact NZ-OD2 2.93Å; K33-D36 VanDerWaalsContact O-CB 3.25Å; K33-D36 WeakPolarHBondContact O-CB 3.48Å; K33-D36 PolarHBondContact O-N 3.25Å; K33-N282 VanDerWaalsContact CD-OD1 3.3Å; K33-N282 WeakPolarHBondContact CD-OD1 3.35Å; K33-N282 WeakPolarHBondContact CE-OD1 3.34Å; K33-N282 PolarHBondContact NZ-OD1 3.07Å
34V94.8Very high95.4Very high0 Ų012.3 Ų12.30%08%0.076CC..THydrogen-bonded Turntrans-53.5132.2-175.6-65.60000111.4L22 P23 L25 D36 F84 L99L22-V34 HydrophobicContact CB-CG2 3.98Å; L22-V34 HydrophobicContact CD2-CG2 4.27Å; P23-V34 VanDerWaalsContact CD-CG2 3.45Å; P23-V34 HydrophobicContact CG-CG1 4.28Å; P23-V34 HydrophobicContact CG-CG2 3.63Å; P23-V34 PolarHBondContact O-N 3.31Å; L25-V34 HydrophobicContact CD1-CG1 3.49Å; L25-V34 VanDerWaalsContact CD1-CG1 3.49Å; L25-V34 HydrophobicContact CG-CG1 3.81Å; V34-D36 PolarHBondContact O-N 3.11Å; V34-F84 HydrophobicContact CB-CD1 4.23Å; V34-F84 HydrophobicContact CB-CE1 4.4Å; V34-F84 HydrophobicContact CB-CG 4.48Å; V34-F84 HydrophobicContact CG1-CB 3.85Å; V34-F84 HydrophobicContact CG1-CD1 3.86Å; V34-F84 HydrophobicContact CG1-CD2 4.34Å; V34-F84 HydrophobicContact CG1-CE1 4.49Å; V34-F84 HydrophobicContact CG1-CG 3.76Å; V34-F84 HydrophobicContact CG2-CD1 4.46Å; V34-F84 HydrophobicContact CG2-CE1 4.31Å; V34-F84 HydrophobicContact CG2-CE2 4.36Å; V34-F84 HydrophobicContact CG2-CZ 4.24Å; V34-L99 HydrophobicContact CB-CD1 4.38Å; V34-L99 HydrophobicContact CG1-CD1 4.4Å
35F94.8Very high95.4Very high18 Ų1812.4 Ų12.48%0.0798%0.076CC..THydrogen-bonded Turntrans67.4-0.1-178.3-45.7-55.6000117.2L15 K33 K64 F84 H86 L99L15-F35 HydrophobicContact CD1-CD2 4.14Å; L15-F35 HydrophobicContact CD1-CE2 3.91Å; K33-F35 PolarHBondContact O-N 3.44Å; F35-K64 HydrophobicContact CB-CG 4.47Å; F35-K64 HydrophobicContact CD1-CD 4.29Å; F35-K64 HydrophobicContact CD1-CG 3.5Å; F35-K64 HydrophobicContact CD2-CD 4.49Å; F35-K64 HydrophobicContact CD2-CG 4.49Å; F35-K64 HydrophobicContact CE1-CG 3.66Å; F35-K64 HydrophobicContact CG-CD 4.23Å; F35-K64 HydrophobicContact CG-CG 3.94Å; F35-K64 HydrophobicContact CZ-CG 4.21Å; F35-F84 AromaticContact CE2-CE1 3.74Å; F35-F84 HydrophobicContact CE2-CE1 3.74Å; F35-F84 HydrophobicContact CE2-CZ 4.08Å; F35-F84 AromaticContact CZ-CE1 3.67Å; F35-F84 HydrophobicContact CZ-CE1 3.67Å; F35-F84 HydrophobicContact CZ-CZ 4.41Å; F35-H86 HydrophobicContact CZ-CB 4.39Å; F35-L99 HydrophobicContact CD1-CD1 4.01Å; F35-L99 HydrophobicContact CE1-CD1 3.65Å; F35-L99 HydrophobicContact CZ-CD1 4.3Å
36D94.6Very high95.4Very high53 Ų5312.8 Ų12.828%0.2838%0.078SC..  trans-68.3143.3173.4-158-25.6000109.8W32 K33 V34 I38 A62W32-D36 PolarHBondContact NE1-O 3.19Å; K33-D36 HydrophobicContact CB-CB 4.01Å; K33-D36 WeakPolarHBondContact CE-OD2 3.42Å; K33-D36 IonicContact NZ-OD2 2.93Å; K33-D36 VanDerWaalsContact O-CB 3.25Å; K33-D36 WeakPolarHBondContact O-CB 3.48Å; K33-D36 PolarHBondContact O-N 3.25Å; V34-D36 PolarHBondContact O-N 3.11Å; D36-I38 PolarHBondContact O-N 2.91Å; D36-I38 PolarHBondContact OD1-N 3.44Å; D36-A62 VanDerWaalsContact O-CB 3.22Å; D36-A62 WeakPolarHBondContact O-CB 3.01Å
37S94.4Very high95.4Very high49 Ų4912.4 Ų12.434%0.3438%0.075SC..SBendtrans-72.7-18.7175.549.60000112.4P58 C59S37-P58 CarbonylContact O-C 3.55Å; S37-P58 WeakPolarHBondContact O-CA 3.39Å; S37-C59 PolarHBondContact O-N 3.02Å
38I95.6Very high95.4Very high35 Ų3516.8 Ų16.818%0.17910%0.096CC..EExtended strand (participates in β ladder)trans-109139.4-178.7-56.3-54.6000110.7D36 D56D36-I38 PolarHBondContact O-N 2.91Å; D36-I38 PolarHBondContact OD1-N 3.44Å; I38-D56 HydrophobicContact CD1-CB 4.23Å; I38-D56 HydrophobicContact CG2-CB 3.81Å
39M96.8Very high95.3Very high0 Ų018.6 Ų18.60%011%0.11CC..EExtended strand (participates in β ladder)trans-128.5169.6168.463.3170.4-75.500109.8L30 G31 W32 I57 C59 L197 V199L30-M39 HydrophobicContact CB-CE 4.12Å; L30-M39 HydrophobicContact CD1-CE 4.16Å; L30-M39 HydrophobicContact CD2-CE 3.77Å; L30-M39 HydrophobicContact CG-CE 4.22Å; G31-M39 WeakPolarHBondContact O-CB 3.48Å; W32-M39 HydrophobicContact CB-CB 4.02Å; W32-M39 HydrophobicContact CG-CB 4.18Å; M39-I57 HydrophobicContact CG-CB 4.02Å; M39-I57 HydrophobicContact CG-CG2 3.97Å; M39-I57 VanDerWaalsContact CG-O 3.3Å; M39-I57 WeakPolarHBondContact CG-O 3.33Å; M39-I57 PolarHBondContact N-O 3.49Å; M39-I57 WeakPolarHBondContact O-CB 3.44Å; M39-I57 PolarHBondContact O-N 3.12Å; M39-I57 HydrophobicContact SD-CG2 4.42Å; M39-C59 HydrophobicContact CB-CB 4.32Å; M39-C59 HydrophobicContact CG-CB 4.08Å; M39-C59 HydrophobicContact SD-CB 4.33Å; M39-L197 HydrophobicContact SD-CD2 3.59Å; M39-L197 VanDerWaalsContact SD-CD2 3.59Å; M39-V199 HydrophobicContact CE-CB 4.39Å; M39-V199 HydrophobicContact CE-CG2 3.65Å; M39-V199 HydrophobicContact SD-CG2 4.02Å
40H97.2Very high95.3Very high5 Ų518.7 Ų18.72%0.02312%0.116CC..EExtended strand (participates in β ladder)trans-129.9155.7178.5-54.798.2000111.3G31 D56 L280 S281G31-H40 PolarHBondContact N-O 2.85Å; G31-H40 PolarHBondContact O-N 3.14Å; H40-D56 IonicContact NE2-OD1 3.2Å; H40-L280 WeakPolarHBondContact CB-O 3.43Å; H40-S281 PolarHBondContact CE1-O 2.87Å; H40-S281 PolarHBondContact ND1-O 3.13Å; H40-S281 VanDerWaalsContact ND1-O 3.13Å
41M96Very high95.2Very high9 Ų923.8 Ų23.84%0.04414%0.143CC..EExtended strand (participates in β ladder)trans-123.1135.5174.4-178.6178172.300109.7L29 L30 G43 V44 I57 V199 N201L29-M41 HydrophobicContact CD1-CE 3.86Å; L29-M41 HydrophobicContact CD1-CG 4.06Å; L29-M41 HydrophobicContact CD2-CE 4.32Å; L29-M41 HydrophobicContact CG-CE 4.29Å; L29-M41 HydrophobicContact CG-CG 4.35Å; L29-M41 CarbonylContact O-C 3.57Å; L29-M41 VanDerWaalsContact O-CA 3.29Å; L29-M41 WeakPolarHBondContact O-CA 3.31Å; L30-M41 HydrophobicContact CD2-CB 4.01Å; L30-M41 HydrophobicContact CD2-CG 3.9Å; L30-M41 HydrophobicContact CD2-SD 4.46Å; M41-G43 PolarHBondContact O-N 3.03Å; M41-V44 HydrophobicContact CB-CB 4.5Å; M41-V44 HydrophobicContact CB-CG2 3.93Å; M41-V44 HydrophobicContact CG-CG2 3.98Å; M41-V44 PolarHBondContact O-N 2.8Å; M41-V44 HydrophobicContact SD-CG2 4.08Å; M41-I57 HydrophobicContact CB-CD1 3.67Å; M41-V199 HydrophobicContact SD-CG1 3.81Å; M41-N201 HydrophobicContact CE-CB 4.42Å
42G93.5Very high95.3Very high10 Ų1023.8 Ų23.810%0.10314%0.143CC..THydrogen-bonded Turntrans-57134.3175.500000111.6L29 V44L29-G42 PolarHBondContact O-N 3.31Å; G42-V44 VanDerWaalsContact C-N 3.33Å
43G90.9Very high95.4Very high14 Ų1424.2 Ų24.214%0.14415%0.145CC..THydrogen-bonded Turntrans78.19.8179.600000115.3M41M41-G43 PolarHBondContact O-N 3.03Å
44V95.3Very high95.4Very high5 Ų523.7 Ų23.73%0.0314%0.142CC..  trans-111.5101.7176.2-172.40000109.7M41 G42 A55 I140 T158 P169 V171M41-V44 HydrophobicContact CB-CB 4.5Å; M41-V44 HydrophobicContact CB-CG2 3.93Å; M41-V44 HydrophobicContact CG-CG2 3.98Å; M41-V44 PolarHBondContact O-N 2.8Å; M41-V44 HydrophobicContact SD-CG2 4.08Å; G42-V44 VanDerWaalsContact C-N 3.33Å; V44-A55 HydrophobicContact CG1-CB 3.82Å; V44-A55 PolarHBondContact O-N 3.36Å; V44-I140 HydrophobicContact CG1-CD1 4.49Å; V44-T158 HydrophobicContact CG1-CG2 3.8Å; V44-P169 HydrophobicContact CG1-CB 4.29Å; V44-V171 HydrophobicContact CG1-CG2 3.73Å; V44-V171 HydrophobicContact CG2-CG2 4.18Å
45Y96.6Very high95.5Very high6 Ų623.7 Ų23.72%0.02414%0.143CC..EExtended strand (participates in β ladder)trans-120.2153.1177.8-68.9-102.2000111.3H53 R54 T158 G291 H292 A346 V347Y45-H53 CarbonylContact C-O 3.56Å; Y45-H53 WeakPolarHBondContact CA-O 3.28Å; Y45-H53 WeakPolarHBondContact CB-O 3.09Å; Y45-H53 WeakPolarHBondContact CD1-O 3.48Å; Y45-R54 HydrophobicContact CD1-CG 4.16Å; Y45-R54 HydrophobicContact CE1-CG 3.63Å; Y45-R54 PolarHBondContact OH-NH2 2.96Å; Y45-T158 WeakPolarHBondContact O-CG2 3.39Å; Y45-T158 PolarHBondContact O-OG1 2.97Å; Y45-G291 PolarHBondContact OH-O 2.95Å; Y45-H292 AromaticContact CE1-CD2 3.71Å; Y45-A346 HydrophobicContact CD1-CB 3.96Å; Y45-A346 HydrophobicContact CD2-CB 4.32Å; Y45-A346 HydrophobicContact CE1-CB 4.12Å; Y45-A346 HydrophobicContact CE2-CB 4.4Å; Y45-A346 HydrophobicContact CG-CB 4.08Å; Y45-V347 HydrophobicContact CD2-CG2 3.52Å; Y45-V347 HydrophobicContact CE2-CG2 4.03Å; Y45-V347 HydrophobicContact CG-CG2 4.45Å
46N97.3Very high95.7Very high11 Ų1123.7 Ų23.76%0.05914%0.144CC..EExtended strand (participates in β ladder)trans-131.9141.6176.8178.861.4000109.5C52 H53 A55 D139 T158 A159 K160N46-C52 CarbonylContact O-C 3.59Å; N46-C52 WeakPolarHBondContact O-CA 3.21Å; N46-H53 PolarHBondContact N-O 3.45Å; N46-H53 PolarHBondContact O-N 3.09Å; N46-H53 PolarHBondContact O-ND1 3.08Å; N46-A55 HydrophobicContact CB-CB 4.12Å; N46-D139 HydrophobicContact CB-CB 3.8Å; N46-D139 PolarHBondContact ND2-OD1 3.12Å; N46-T158 HydrophobicContact CB-CG2 4.43Å; N46-A159 PolarHBondContact OD1-N 2.86Å; N46-A159 VanDerWaalsContact OD1-N 3.12Å; N46-K160 PolarHBondContact OD1-N 2.93Å; N46-K160 PolarHBondContact OD1-O 3.26Å
47G96.8Very high95.8Very high2 Ų221.2 Ų21.22%0.02113%0.13CC..SBendtrans110.4159.8178.800000112.8K160 A161 E162G47-K160 PolarHBondContact N-O 2.83Å; G47-A161 CarbonylContact C-O 3.59Å; G47-A161 CarbonylContact O-C 3.58Å; G47-E162 WeakPolarHBondContact O-CA 3.22Å; G47-E162 PolarHBondContact O-N 3Å
48E95.6Very high96Very high93 Ų9319 Ų1944%0.43512%0.115SC..SBendtrans-110.1134.6-177.2-177.8179.6162.700109.6G50 D51 A161 P164E48-G50 PolarHBondContact O-N 2.61Å; E48-D51 WeakPolarHBondContact O-CB 3.28Å; E48-D51 PolarHBondContact O-N 2.75Å; E48-A161 WeakPolarHBondContact CA-O 3.36Å; E48-P164 VanDerWaalsContact OE1-CD 3.26Å; E48-P164 WeakPolarHBondContact OE1-CD 3.29Å; E48-P164 VanDerWaalsContact OE1-CG 3.22Å; E48-P164 WeakPolarHBondContact OE1-CG 3.14Å
49A93Very high96.1Very high46 Ų4617.3 Ų17.338%0.3811%0.106SC..G310 helixtrans48.2-124179.500000111.8D51 C52 E162 V352A49-D51 PolarHBondContact O-N 3Å; A49-D51 VanDerWaalsContact O-N 3.13Å; A49-C52 WeakPolarHBondContact O-CB 3.39Å; A49-C52 PolarHBondContact O-N 2.74Å; A49-E162 PolarHBondContact N-O 3.3Å; A49-V352 WeakPolarHBondContact O-CB 3.47Å
50G93.1Very high96Very high21 Ų2117.5 Ų17.522%0.21611%0.107CC..G310 helixtrans-59.9-17.3179.200000116.2E48 C52 V352 P354E48-G50 PolarHBondContact O-N 2.61Å; G50-C52 VanDerWaalsContact C-N 3.32Å; G50-V352 WeakPolarHBondContact CA-O 3.4Å; G50-P354 WeakPolarHBondContact O-CG 3.42Å
51D95.8Very high96Very high106 Ų10617.2 Ų17.257%0.56711%0.106SC*.G310 helixtrans-87.6-2.7175.3-65.8-25.1000112.1E48 A49 H53E48-D51 WeakPolarHBondContact O-CB 3.28Å; E48-D51 PolarHBondContact O-N 2.75Å; A49-D51 PolarHBondContact O-N 3Å; A49-D51 VanDerWaalsContact O-N 3.13Å; D51-H53 PolarHBondContact O-ND1 2.83Å
52C97.1Very high96Very high0 Ų017 Ų170%011%0.106CC..  trans-64.2136.5-179.9176.10000111.2N46 A49 G50 H292 V352N46-C52 CarbonylContact O-C 3.59Å; N46-C52 WeakPolarHBondContact O-CA 3.21Å; A49-C52 WeakPolarHBondContact O-CB 3.39Å; A49-C52 PolarHBondContact O-N 2.74Å; G50-C52 VanDerWaalsContact C-N 3.32Å; C52-H292 PolarHBondContact O-CE1 3.46Å; C52-H292 PolarHBondContact O-NE2 3.45Å; C52-H292 PolarHBondContact SG-NE2 2.85Å; C52-V352 HydrophobicContact CB-CB 3.9Å; C52-V352 HydrophobicContact CB-CG1 3.84Å
53H97.7Very high96.1Very high10 Ų1016.5 Ų16.55%0.04610%0.101CC..EExtended strand (participates in β ladder)trans-161.6165176.957.8-85.3000112.1Y45 N46 D51 A55 D139 D285 W290Y45-H53 CarbonylContact C-O 3.56Å; Y45-H53 WeakPolarHBondContact CA-O 3.28Å; Y45-H53 WeakPolarHBondContact CB-O 3.09Å; Y45-H53 WeakPolarHBondContact CD1-O 3.48Å; N46-H53 PolarHBondContact N-O 3.45Å; N46-H53 PolarHBondContact O-N 3.09Å; N46-H53 PolarHBondContact O-ND1 3.08Å; D51-H53 PolarHBondContact O-ND1 2.83Å; H53-A55 PolarHBondContact O-N 2.9Å; H53-D139 IonicContact CD2-OD2 3.72Å; H53-D139 IonicContact CE1-OD1 3.56Å; H53-D139 IonicContact NE2-OD1 3.28Å; H53-D139 PolarHBondContact NE2-OD1 2.95Å; H53-D139 IonicContact NE2-OD2 3.74Å; H53-D285 PolarHBondContact CD2-N 3.2Å; H53-D285 VanDerWaalsContact CD2-N 3.25Å; H53-W290 WeakPolarHBondContact CA-O 3.01Å; H53-W290 HydrophobicContact CB-CB 3.69Å; H53-W290 HydrophobicContact CB-CG 4.01Å
54R96.8Very high96.3Very high4 Ų419.9 Ų19.92%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-62.3133.6175.3-69.3178.9-175-89.1-6.3109.8Y45 D56 N282 G283 W290 G291Y45-R54 HydrophobicContact CD1-CG 4.16Å; Y45-R54 HydrophobicContact CE1-CG 3.63Å; Y45-R54 PolarHBondContact OH-NH2 2.96Å; R54-D56 PolarHBondContact O-N 3.23Å; R54-N282 VanDerWaalsContact CD-O 3.32Å; R54-N282 WeakPolarHBondContact CD-O 3.41Å; R54-G283 WeakPolarHBondContact CB-O 3.46Å; R54-G283 PolarHBondContact N-O 3.06Å; R54-W290 PolarHBondContact N-O 3.24Å; R54-W290 VanDerWaalsContact N-O 3.12Å; R54-G291 VanDerWaalsContact NE-CA 3.33Å; R54-G291 PolarHBondContact NE-O 2.69Å; R54-G291 PolarHBondContact NH2-O 3.5Å
55A97.7Very high96.4Very high1 Ų119.7 Ų19.71%0.00811%0.11CC..PPolyproline II helixtrans-72.3132.3-179.400000111V44 N46 H53 I57 D139 I140 T158V44-A55 HydrophobicContact CG1-CB 3.82Å; V44-A55 PolarHBondContact O-N 3.36Å; N46-A55 HydrophobicContact CB-CB 4.12Å; H53-A55 PolarHBondContact O-N 2.9Å; A55-I57 PolarHBondContact O-N 3.24Å; A55-D139 HydrophobicContact CB-CB 3.81Å; A55-I140 HydrophobicContact CB-CD1 3.9Å; A55-I140 HydrophobicContact CB-CG1 4Å; A55-T158 HydrophobicContact CB-CG2 3.92Å
56D97.4Very high96.4Very high18 Ų1824 Ų2410%0.09613%0.13CC..PPolyproline II helixtrans-64.9120.2174.7-73.7-7.6000109.8I38 H40 R54 S137 K138 D139I38-D56 HydrophobicContact CD1-CB 4.23Å; I38-D56 HydrophobicContact CG2-CB 3.81Å; H40-D56 IonicContact NE2-OD1 3.2Å; R54-D56 PolarHBondContact O-N 3.23Å; D56-S137 WeakPolarHBondContact O-CB 3.35Å; D56-S137 PolarHBondContact O-OG 2.63Å; D56-K138 IonicContact OD1-NZ 2.68Å; D56-K138 WeakPolarHBondContact OD2-CD 3.02Å; D56-K138 WeakPolarHBondContact OD2-CE 3.48Å; D56-K138 IonicContact OD2-NZ 3.52Å; D56-K138 PolarHBondContact OD2-NZ 2.72Å; D56-D139 WeakPolarHBondContact CB-OD2 3.29Å; D56-D139 PolarHBondContact N-OD2 3.08Å
57I98.1Very high96.2Very high0 Ų024.9 Ų24.90%014%0.136CC..EExtended strand (participates in β ladder)trans-111.1124.9174-62.9168.5000108.6M39 M41 A55 I140 V171 L173 V199M39-I57 HydrophobicContact CG-CB 4.02Å; M39-I57 HydrophobicContact CG-CG2 3.97Å; M39-I57 VanDerWaalsContact CG-O 3.3Å; M39-I57 WeakPolarHBondContact CG-O 3.33Å; M39-I57 PolarHBondContact N-O 3.49Å; M39-I57 WeakPolarHBondContact O-CB 3.44Å; M39-I57 PolarHBondContact O-N 3.12Å; M39-I57 HydrophobicContact SD-CG2 4.42Å; M41-I57 HydrophobicContact CB-CD1 3.67Å; A55-I57 PolarHBondContact O-N 3.24Å; I57-I140 HydrophobicContact CG1-CD1 3.84Å; I57-V171 HydrophobicContact CD1-CG1 4.01Å; I57-L173 HydrophobicContact CG2-CD1 4Å; I57-L173 HydrophobicContact CG2-CD2 3.82Å; I57-L173 HydrophobicContact CG2-CG 4.29Å; I57-V199 HydrophobicContact CD1-CG1 4.27Å
58P97.4Very high95.8Very high2 Ų233.7 Ų33.71%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-70.8141.4-179.130.9-35.9000110.8S37 P60 F133 D134 F142 L173S37-P58 CarbonylContact O-C 3.55Å; S37-P58 WeakPolarHBondContact O-CA 3.39Å; P58-P60 WeakPolarHBondContact O-CD 3.25Å; P58-F133 HydrophobicContact CB-CE2 3.95Å; P58-F133 HydrophobicContact CG-CE2 4.42Å; P58-D134 WeakPolarHBondContact CB-O 3.2Å; P58-F142 VanDerWaalsContact CD-CE2 3.45Å; P58-F142 HydrophobicContact CG-CD2 4.32Å; P58-F142 HydrophobicContact CG-CE2 4.04Å; P58-L173 WeakPolarHBondContact O-CD2 3.41Å
59C97.3Very high95.6Very high0 Ų032.8 Ų32.80%017%0.173CC..  trans-107.7105.8-176.7-175.50000111.9S37 M39 L61 A62S37-C59 PolarHBondContact O-N 3.02Å; M39-C59 HydrophobicContact CB-CB 4.32Å; M39-C59 HydrophobicContact CG-CB 4.08Å; M39-C59 HydrophobicContact SD-CB 4.33Å; C59-L61 PolarHBondContact O-N 3.13Å; C59-L61 VanDerWaalsContact O-N 3.17Å; C59-A62 HydrophobicContact CB-CB 4.45Å; C59-A62 VanDerWaalsContact O-CB 3.27Å; C59-A62 WeakPolarHBondContact O-CB 3.39Å; C59-A62 PolarHBondContact O-N 2.92Å; C59-A62 VanDerWaalsContact O-N 3.15Å
60P96.5Very high95.6Very high4 Ų436.6 Ų36.63%0.02619%0.193CC..THydrogen-bonded Turntrans-62-18.7174.9-2228.1000115.6P58 A62 F133 W175 L197P58-P60 WeakPolarHBondContact O-CD 3.25Å; P60-A62 VanDerWaalsContact C-N 3.31Å; P60-F133 HydrophobicContact CB-CD1 4.41Å; P60-F133 HydrophobicContact CB-CD2 4.08Å; P60-F133 HydrophobicContact CB-CE1 4.37Å; P60-F133 HydrophobicContact CB-CE2 4.02Å; P60-F133 HydrophobicContact CB-CG 4.26Å; P60-F133 HydrophobicContact CB-CZ 4.16Å; P60-F133 HydrophobicContact CG-CD2 4.05Å; P60-F133 HydrophobicContact CG-CE1 4.28Å; P60-F133 HydrophobicContact CG-CE2 3.5Å; P60-F133 HydrophobicContact CG-CZ 3.64Å; P60-W175 HydrophobicContact CB-CB 4.33Å; P60-W175 HydrophobicContact CB-CD2 4.01Å; P60-W175 HydrophobicContact CB-CG 3.68Å; P60-W175 HydrophobicContact CG-CB 4.22Å; P60-W175 HydrophobicContact CG-CD2 3.59Å; P60-W175 HydrophobicContact CG-CE3 4.11Å; P60-W175 HydrophobicContact CG-CG 3.65Å; P60-W175 HydrophobicContact CG-CZ2 4.43Å; P60-L197 HydrophobicContact CG-CD1 4.12Å
61L96.8Very high95.7Very high0 Ų036.7 Ų36.70%019%0.193CC..THydrogen-bonded Turntrans-90.65.9179.3-54.1-169000112.7C59 A63 L109 M111 V178 F195 L197C59-L61 PolarHBondContact O-N 3.13Å; C59-L61 VanDerWaalsContact O-N 3.17Å; L61-A63 PolarHBondContact O-N 3.21Å; L61-L109 HydrophobicContact CB-CD2 4.01Å; L61-L109 HydrophobicContact CD1-CB 4.34Å; L61-L109 HydrophobicContact CD1-CD2 3.81Å; L61-L109 HydrophobicContact CD1-CG 4.02Å; L61-L109 HydrophobicContact CG-CD2 4.15Å; L61-M111 HydrophobicContact CB-CB 4.43Å; L61-M111 HydrophobicContact CD1-CB 4.07Å; L61-M111 HydrophobicContact CD2-CB 4.45Å; L61-V178 HydrophobicContact CD2-CG2 3.87Å; L61-F195 HydrophobicContact CD2-CB 3.92Å; L61-L197 HydrophobicContact CD1-CB 3.91Å; L61-L197 HydrophobicContact CG-CB 3.95Å
62A95.4Very high95.8Very high4 Ų438.7 Ų38.73%0.03320%0.199CC..  trans-69.271.9168.300000110.6W32 D36 C59 P60 S131W32-A62 HydrophobicContact CZ2-CB 4.36Å; D36-A62 VanDerWaalsContact O-CB 3.22Å; D36-A62 WeakPolarHBondContact O-CB 3.01Å; C59-A62 HydrophobicContact CB-CB 4.45Å; C59-A62 VanDerWaalsContact O-CB 3.27Å; C59-A62 WeakPolarHBondContact O-CB 3.39Å; C59-A62 PolarHBondContact O-N 2.92Å; C59-A62 VanDerWaalsContact O-N 3.15Å; P60-A62 VanDerWaalsContact C-N 3.31Å; A62-S131 WeakPolarHBondContact O-CA 3.34Å; A62-S131 PolarHBondContact O-OG 3.15Å
63A95.5Very high95.8Very high0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-131.7150179.100000110.2L61 Q97 M111 V130 V178L61-A63 PolarHBondContact O-N 3.21Å; A63-Q97 PolarHBondContact O-NE2 3.11Å; A63-M111 HydrophobicContact CB-CE 4.46Å; A63-M111 HydrophobicContact CB-SD 4.22Å; A63-V130 CarbonylContact C-O 3.56Å; A63-V130 VanDerWaalsContact CA-O 3.25Å; A63-V130 WeakPolarHBondContact CA-O 3.28Å; A63-V178 HydrophobicContact CB-CG1 4.36Å
64K96.2Very high95.8Very high85 Ų8544.3 Ų44.337%0.3723%0.227SC..EExtended strand (participates in β ladder)trans-123.1142176.4-67.3179.2-176.6178.90110.3F35 L129 V130F35-K64 HydrophobicContact CB-CG 4.47Å; F35-K64 HydrophobicContact CD1-CD 4.29Å; F35-K64 HydrophobicContact CD1-CG 3.5Å; F35-K64 HydrophobicContact CD2-CD 4.49Å; F35-K64 HydrophobicContact CD2-CG 4.49Å; F35-K64 HydrophobicContact CE1-CG 3.66Å; F35-K64 HydrophobicContact CG-CD 4.23Å; F35-K64 HydrophobicContact CG-CG 3.94Å; F35-K64 HydrophobicContact CZ-CG 4.21Å; K64-L129 WeakPolarHBondContact O-CA 3.33Å; K64-V130 PolarHBondContact N-O 3.29Å; K64-V130 PolarHBondContact O-N 2.98Å
65I96.9Very high95.8Very high1 Ų145.4 Ų45.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-77132.9170.154.1166.4000110.5H86 L88 A95 Q97 V113 V127 N128 L129I65-H86 WeakPolarHBondContact CD1-O 3.18Å; I65-H86 WeakPolarHBondContact CG1-ND1 3.32Å; I65-L88 HydrophobicContact CB-CD2 4.04Å; I65-L88 HydrophobicContact CD1-CD2 3.71Å; I65-L88 HydrophobicContact CD1-CG 3.85Å; I65-L88 HydrophobicContact CG1-CD2 3.76Å; I65-L88 HydrophobicContact CG1-CG 4.44Å; I65-A95 HydrophobicContact CD1-CB 4Å; I65-A95 WeakPolarHBondContact CD1-O 3.36Å; I65-Q97 HydrophobicContact CD1-CB 3.9Å; I65-Q97 HydrophobicContact CG1-CB 3.97Å; I65-Q97 HydrophobicContact CG2-CB 3.97Å; I65-Q97 HydrophobicContact CG2-CG 4.49Å; I65-V113 HydrophobicContact CG2-CG1 4.17Å; I65-V113 HydrophobicContact CG2-CG2 4.28Å; I65-V127 HydrophobicContact CB-CG1 3.99Å; I65-V127 HydrophobicContact CG2-CG1 4.2Å; I65-N128 WeakPolarHBondContact CA-O 3.33Å; I65-L129 HydrophobicContact CG2-CD2 3.55Å
66E95.6Very high95.8Very high95 Ų9546.5 Ų46.544%0.44424%0.237SC..EExtended strand (participates in β ladder)trans-137.6150175.5-67.7-172.2-179.300111.4V127 N128 V130E66-V127 WeakPolarHBondContact O-CG1 3.43Å; E66-N128 HydrophobicContact CB-CB 4.32Å; E66-N128 PolarHBondContact N-O 3.48Å; E66-N128 PolarHBondContact O-N 3.22Å; E66-V130 HydrophobicContact CB-CG2 4.25Å; E66-V130 HydrophobicContact CG-CG2 4.05Å; E66-V130 WeakPolarHBondContact OE2-CG2 3.17Å
67T93.1Very high95.9Very high31 Ų3145.6 Ų45.619%0.1923%0.233CC..  trans-124.5148174.453.50000110.7E69 L88 V93 V127T67-E69 VanDerWaalsContact C-N 3.29Å; T67-E69 PolarHBondContact OG1-O 3.45Å; T67-L88 HydrophobicContact CG2-CD1 3.34Å; T67-L88 HydrophobicContact CG2-CD2 4.1Å; T67-L88 HydrophobicContact CG2-CG 4.4Å; T67-V93 HydrophobicContact CG2-CG1 4.37Å; T67-V127 HydrophobicContact CG2-CG1 4.41Å; T67-V127 HydrophobicContact CG2-CG2 3.98Å
68E89.9Confident95.9Very high187 Ų18747.4 Ų47.487%0.87424%0.242SC*.SBendtrans-70.2-30.6170.8-62.1-172.8170.200111.8
69E91.1Very high95.9Very high73 Ų7347.3 Ų47.334%0.34124%0.242SC..SBendtrans-71.1142.8173.4-69.6179.4-162.900111.2T67 A71 S90 A91 S92T67-E69 VanDerWaalsContact C-N 3.29Å; T67-E69 PolarHBondContact OG1-O 3.45Å; E69-A71 PolarHBondContact O-N 2.8Å; E69-S90 WeakPolarHBondContact OE2-CB 3.39Å; E69-S90 PolarHBondContact OE2-OG 3.42Å; E69-A91 PolarHBondContact OE2-N 3.23Å; E69-S92 VanDerWaalsContact OE1-CB 3.28Å; E69-S92 WeakPolarHBondContact OE1-CB 3.39Å; E69-S92 PolarHBondContact OE1-OG 3.37Å; E69-S92 PolarHBondContact OE2-N 2.95Å; E69-S92 VanDerWaalsContact OE2-N 3.1Å; E69-S92 PolarHBondContact OE2-OG 3.36Å
70P93.4Very high95.9Very high126 Ų12650.2 Ų50.282%0.81826%0.255SS*.  trans-54.4126.7166.2-23.333.4000110.5
71A94.9Very high96Very high24 Ų2450.9 Ų50.920%0.19826%0.259CS..  trans-126.9149.6-178.700000111.1E69 H73 L88 S89E69-A71 PolarHBondContact O-N 2.8Å; A71-H73 PolarHBondContact O-CD2 2.67Å; A71-H73 VanDerWaalsContact O-CD2 3.23Å; A71-L88 HydrophobicContact CB-CB 4.03Å; A71-L88 HydrophobicContact CB-CD1 4.2Å; A71-S89 CarbonylContact C-O 3.58Å; A71-S89 VanDerWaalsContact CA-O 3.32Å; A71-S89 WeakPolarHBondContact CA-O 3.43Å
72Q96.5Very high96Very high148 Ų14851.1 Ų51.169%0.69226%0.261SS*.EExtended strand (participates in β ladder)trans-81.9133.7163.9-177.2-1808.700108.8L88 S89Q72-L88 CarbonylContact O-C 3.52Å; Q72-L88 VanDerWaalsContact O-CA 3.27Å; Q72-L88 WeakPolarHBondContact O-CA 3.47Å; Q72-S89 PolarHBondContact N-O 2.88Å; Q72-S89 PolarHBondContact O-N 2.93Å
73H96.8Very high96.2Very high68 Ų6851 Ų5132%0.31526%0.26SS..EExtended strand (participates in β ladder)trans-104.1143.6180-64.9-111.3000110.6A71 Y75 H86 T87A71-H73 PolarHBondContact O-CD2 2.67Å; A71-H73 VanDerWaalsContact O-CD2 3.23Å; H73-Y75 HydrophobicContact CB-CE2 3.9Å; H73-Y75 PolarHBondContact ND1-OH 2.97Å; H73-H86 AromaticContact CE1-NE2 3.93Å; H73-H86 AromaticContact CG-NE2 4Å; H73-H86 AromaticContact ND1-CE1 3.74Å; H73-H86 AromaticContact ND1-NE2 3.1Å; H73-H86 PolarHBondContact ND1-NE2 3.3Å; H73-T87 CarbonylContact C-O 3.53Å
74N97.6Very high96.3Very high60 Ų6051 Ų5132%0.32126%0.26SS..EExtended strand (participates in β ladder)trans-142.2125.4172.4-173.166.9000109T11 T76 T87T11-N74 WeakPolarHBondContact CG2-OD1 3.09Å; N74-T76 PolarHBondContact ND2-OG1 3.07Å; N74-T76 VanDerWaalsContact ND2-OG1 3.17Å; N74-T87 PolarHBondContact N-O 2.79Å; N74-T87 PolarHBondContact O-N 3.35Å
75Y98.3Very high96.4Very high26 Ų2648.1 Ų48.110%0.10225%0.251CS..EExtended strand (participates in β ladder)trans-114.4127.4177.9-56.6-83.9000108.6T11 T12 L15 H73 F84 S85 H86T11-Y75 CarbonylContact C-O 3.58Å; T11-Y75 VanDerWaalsContact CA-O 3.27Å; T11-Y75 WeakPolarHBondContact CA-O 3.19Å; T12-Y75 HydrophobicContact CG2-CD2 4.44Å; T12-Y75 PolarHBondContact N-O 3.21Å; T12-Y75 PolarHBondContact O-N 2.91Å; L15-Y75 HydrophobicContact CD1-CE1 4.03Å; L15-Y75 HydrophobicContact CD2-CD1 3.57Å; L15-Y75 HydrophobicContact CD2-CD2 4.09Å; L15-Y75 HydrophobicContact CD2-CE1 3.88Å; L15-Y75 HydrophobicContact CD2-CE2 4.39Å; L15-Y75 HydrophobicContact CD2-CG 3.67Å; L15-Y75 HydrophobicContact CG-CD1 4.05Å; L15-Y75 HydrophobicContact CG-CD2 4.17Å; L15-Y75 HydrophobicContact CG-CE1 3.84Å; L15-Y75 HydrophobicContact CG-CE2 4Å; L15-Y75 HydrophobicContact CG-CG 4.19Å; H73-Y75 HydrophobicContact CB-CE2 3.9Å; H73-Y75 PolarHBondContact ND1-OH 2.97Å; Y75-F84 HydrophobicContact CD1-CE1 4.38Å; Y75-F84 AromaticContact CD1-CZ 3.81Å; Y75-F84 HydrophobicContact CD1-CZ 3.81Å; Y75-F84 HydrophobicContact CG-CZ 4.39Å; Y75-S85 CarbonylContact C-O 3.51Å; Y75-S85 WeakPolarHBondContact CA-O 3.25Å; Y75-H86 HydrophobicContact CD1-CB 3.79Å; Y75-H86 AromaticContact CD1-CD2 3.77Å; Y75-H86 AromaticContact CD1-CG 3.77Å; Y75-H86 HydrophobicContact CE1-CB 3.84Å; Y75-H86 AromaticContact CE1-CD2 3.3Å; Y75-H86 WeakPolarHBondContact CE1-CD2 3.39Å; Y75-H86 AromaticContact CE1-CE1 3.99Å; Y75-H86 AromaticContact CE1-CG 3.33Å; Y75-H86 AromaticContact CE1-ND1 3.76Å; Y75-H86 AromaticContact CE1-NE2 3.75Å; Y75-H86 AromaticContact CZ-CD2 3.73Å; Y75-H86 AromaticContact CZ-NE2 3.8Å
76T98.3Very high96.5Very high24 Ų2448.3 Ų48.315%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-132.9127.4-175.7-63.90000110.1V9 F10 T11 N74 F84 S85V9-T76 HydrophobicContact CG1-CG2 3.45Å; V9-T76 VanDerWaalsContact CG1-CG2 3.45Å; F10-T76 CarbonylContact O-C 3.33Å; F10-T76 VanDerWaalsContact O-CA 3.27Å; F10-T76 WeakPolarHBondContact O-CA 3.43Å; T11-T76 WeakPolarHBondContact CG2-OG1 3.39Å; T11-T76 PolarHBondContact OG1-OG1 2.65Å; N74-T76 PolarHBondContact ND2-OG1 3.07Å; N74-T76 VanDerWaalsContact ND2-OG1 3.17Å; T76-F84 CarbonylContact O-C 3.52Å; T76-F84 WeakPolarHBondContact O-CA 3.47Å; T76-S85 PolarHBondContact N-O 2.98Å; T76-S85 PolarHBondContact O-N 3.32Å
77L98.5Very high96.6Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-101111.8161.8178.863.8000108F10 P23 L25 T79 F84 F256 Y257 F564F10-L77 HydrophobicContact CD2-CD2 4.22Å; F10-L77 PolarHBondContact N-O 3.02Å; F10-L77 PolarHBondContact O-N 3.2Å; P23-L77 HydrophobicContact CB-CD2 3.9Å; L25-L77 HydrophobicContact CD2-CD1 4.01Å; L77-T79 HydrophobicContact CD2-CG2 4.35Å; L77-T79 HydrophobicContact CG-CG2 4.28Å; L77-F84 HydrophobicContact CB-CD2 4.47Å; L77-F84 HydrophobicContact CD1-CB 4.35Å; L77-F256 HydrophobicContact CD1-CE1 4.28Å; L77-F256 HydrophobicContact CD1-CZ 4.19Å; L77-F256 HydrophobicContact CD2-CD1 4.41Å; L77-F256 HydrophobicContact CD2-CE1 3.93Å; L77-F256 HydrophobicContact CG-CE1 4.49Å; L77-Y257 WeakPolarHBondContact CD2-OH 3.4Å; L77-F564 HydrophobicContact CB-CD1 3.69Å; L77-F564 HydrophobicContact CB-CE1 4.19Å; L77-F564 HydrophobicContact CD2-CB 4.28Å
78D98.3Very high96.8Very high38 Ų3843.8 Ų43.820%0.20323%0.231CC..EExtended strand (participates in β ladder)trans-92.7104.9171.8175.29.7000109.2H80 T81 G82 I83D78-H80 VanDerWaalsContact C-N 3.27Å; D78-H80 PolarHBondContact O-N 3.36Å; D78-H80 VanDerWaalsContact OD1-CB 3.23Å; D78-H80 WeakPolarHBondContact OD1-CB 3.13Å; D78-H80 IonicContact OD1-CD2 3.72Å; D78-H80 IonicContact OD1-CG 3.27Å; D78-H80 PolarHBondContact OD1-N 2.94Å; D78-T81 VanDerWaalsContact CG-OG1 3.25Å; D78-T81 PolarHBondContact O-N 3.36Å; D78-T81 PolarHBondContact O-OG1 3.15Å; D78-T81 WeakPolarHBondContact OD2-CG2 3.4Å; D78-T81 PolarHBondContact OD2-OG1 3.24Å; D78-G82 WeakPolarHBondContact O-CA 3.3Å; D78-G82 PolarHBondContact O-N 3.35Å; D78-I83 PolarHBondContact N-O 2.78Å; D78-I83 PolarHBondContact O-N 3.25Å
79T97.8Very high97.1Very high0 Ų036 Ų360%020%0.197CC..THydrogen-bonded Turntrans-75.3-14.8-179.3660000113Y8 F10 L77 T81 W234 V252 F256Y8-T79 VanDerWaalsContact CA-OG1 3.29Å; Y8-T79 WeakPolarHBondContact CA-OG1 3.35Å; Y8-T79 WeakPolarHBondContact CB-OG1 3.42Å; Y8-T79 WeakPolarHBondContact CD1-OG1 3.4Å; Y8-T79 WeakPolarHBondContact O-CB 3.38Å; Y8-T79 PolarHBondContact O-N 3.12Å; Y8-T79 PolarHBondContact O-OG1 3.04Å; F10-T79 HydrophobicContact CD2-CG2 4.05Å; F10-T79 HydrophobicContact CE2-CG2 3.56Å; F10-T79 HydrophobicContact CZ-CG2 4.24Å; L77-T79 HydrophobicContact CD2-CG2 4.35Å; L77-T79 HydrophobicContact CG-CG2 4.28Å; T79-T81 PolarHBondContact O-N 2.85Å; T79-W234 PolarHBondContact O-NE1 2.66Å; T79-V252 WeakPolarHBondContact OG1-CG1 3.06Å; T79-F256 HydrophobicContact CG2-CB 3.91Å; T79-F256 HydrophobicContact CG2-CD1 3.87Å; T79-F256 HydrophobicContact CG2-CD2 3.99Å; T79-F256 HydrophobicContact CG2-CE1 4.45Å; T79-F256 HydrophobicContact CG2-CG 3.61Å
80H97Very high97.3Very high61 Ų6132.9 Ų32.928%0.28218%0.183SC..THydrogen-bonded Turntrans-63.8-34.1170.2-75.5-50.5000111.9D6 Y8 D78 W230D6-H80 IonicContact OD1-NE2 2.97Å; D6-H80 IonicContact OD2-CD2 3.6Å; D6-H80 IonicContact OD2-NE2 3.4Å; D6-H80 PolarHBondContact OD2-NE2 3.08Å; Y8-H80 WeakPolarHBondContact CB-NE2 3.47Å; Y8-H80 AromaticContact CD1-CE1 3.5Å; Y8-H80 VanDerWaalsContact CD1-CE1 3.5Å; Y8-H80 WeakPolarHBondContact CD1-CE1 3.21Å; Y8-H80 AromaticContact CD1-ND1 3.52Å; Y8-H80 AromaticContact CD2-CE1 3.35Å; Y8-H80 WeakPolarHBondContact CD2-CE1 3.42Å; Y8-H80 AromaticContact CD2-NE2 3.67Å; Y8-H80 AromaticContact CE1-CE1 3.98Å; Y8-H80 AromaticContact CE2-CE1 3.87Å; Y8-H80 AromaticContact CG-CE1 3.16Å; Y8-H80 AromaticContact CG-ND1 3.6Å; Y8-H80 AromaticContact CG-NE2 3.52Å; D78-H80 VanDerWaalsContact C-N 3.27Å; D78-H80 PolarHBondContact O-N 3.36Å; D78-H80 VanDerWaalsContact OD1-CB 3.23Å; D78-H80 WeakPolarHBondContact OD1-CB 3.13Å; D78-H80 IonicContact OD1-CD2 3.72Å; D78-H80 IonicContact OD1-CG 3.27Å; D78-H80 PolarHBondContact OD1-N 2.94Å; H80-W230 WeakPolarHBondContact O-CB 3.49Å
81T97.6Very high97.3Very high18 Ų1830.5 Ų30.511%0.1117%0.174CC..THydrogen-bonded Turntrans-114.4-12.9-174.658.90000112.8D78 T79 I83 H226 E227 W230D78-T81 VanDerWaalsContact CG-OG1 3.25Å; D78-T81 PolarHBondContact O-N 3.36Å; D78-T81 PolarHBondContact O-OG1 3.15Å; D78-T81 WeakPolarHBondContact OD2-CG2 3.4Å; D78-T81 PolarHBondContact OD2-OG1 3.24Å; T79-T81 PolarHBondContact O-N 2.85Å; T81-I83 PolarHBondContact O-N 2.94Å; T81-H226 PolarHBondContact O-CE1 2.88Å; T81-H226 PolarHBondContact O-NE2 3.12Å; T81-E227 HydrophobicContact CG2-CB 4.32Å; T81-E227 HydrophobicContact CG2-CG 3.78Å; T81-W230 VanDerWaalsContact C-CD1 3.5Å; T81-W230 PolarHBondContact O-NE1 2.71Å; T81-W230 VanDerWaalsContact O-NE1 3.12Å
82G97.8Very high97.2Very high4 Ų430.2 Ų30.24%0.04117%0.17CC..THydrogen-bonded Turntrans6425.3-172.800000113.6D78D78-G82 WeakPolarHBondContact O-CA 3.3Å; D78-G82 PolarHBondContact O-N 3.35Å
83I98.7Very high97.2Very high1 Ų123.2 Ų23.21%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-100.4122.3178.8-60.6175.5000108.8D78 T81 Y100 R223 H226 E227D78-I83 PolarHBondContact N-O 2.78Å; D78-I83 PolarHBondContact O-N 3.25Å; T81-I83 PolarHBondContact O-N 2.94Å; I83-Y100 HydrophobicContact CD1-CD1 4.35Å; I83-Y100 HydrophobicContact CG1-CD1 3.98Å; I83-Y100 HydrophobicContact CG1-CG 4.18Å; I83-Y100 HydrophobicContact CG2-CD1 4.36Å; I83-R223 HydrophobicContact CD1-CG 4.24Å; I83-H226 WeakPolarHBondContact CG1-NE2 3.24Å; I83-E227 HydrophobicContact CD1-CG 4.22Å
84F98.7Very high97.2Very high1 Ų121 Ų210%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-86.5134.2163.1178.8-94.1000109.3L15 P23 L25 V34 F35 Y75 T76 L77 H86 S98 L99 F564L15-F84 HydrophobicContact CD2-CZ 4.11Å; P23-F84 HydrophobicContact CG-CD2 3.5Å; P23-F84 HydrophobicContact CG-CE2 3.68Å; P23-F84 HydrophobicContact CG-CG 4.38Å; L25-F84 HydrophobicContact CD1-CB 4.07Å; L25-F84 HydrophobicContact CD2-CB 4.29Å; V34-F84 HydrophobicContact CB-CD1 4.23Å; V34-F84 HydrophobicContact CB-CE1 4.4Å; V34-F84 HydrophobicContact CB-CG 4.48Å; V34-F84 HydrophobicContact CG1-CB 3.85Å; V34-F84 HydrophobicContact CG1-CD1 3.86Å; V34-F84 HydrophobicContact CG1-CD2 4.34Å; V34-F84 HydrophobicContact CG1-CE1 4.49Å; V34-F84 HydrophobicContact CG1-CG 3.76Å; V34-F84 HydrophobicContact CG2-CD1 4.46Å; V34-F84 HydrophobicContact CG2-CE1 4.31Å; V34-F84 HydrophobicContact CG2-CE2 4.36Å; V34-F84 HydrophobicContact CG2-CZ 4.24Å; F35-F84 AromaticContact CE2-CE1 3.74Å; F35-F84 HydrophobicContact CE2-CE1 3.74Å; F35-F84 HydrophobicContact CE2-CZ 4.08Å; F35-F84 AromaticContact CZ-CE1 3.67Å; F35-F84 HydrophobicContact CZ-CE1 3.67Å; F35-F84 HydrophobicContact CZ-CZ 4.41Å; Y75-F84 HydrophobicContact CD1-CE1 4.38Å; Y75-F84 AromaticContact CD1-CZ 3.81Å; Y75-F84 HydrophobicContact CD1-CZ 3.81Å; Y75-F84 HydrophobicContact CG-CZ 4.39Å; T76-F84 CarbonylContact O-C 3.52Å; T76-F84 WeakPolarHBondContact O-CA 3.47Å; L77-F84 HydrophobicContact CB-CD2 4.47Å; L77-F84 HydrophobicContact CD1-CB 4.35Å; F84-H86 HydrophobicContact CE1-CB 4.43Å; F84-S98 CarbonylContact O-C 3.59Å; F84-S98 WeakPolarHBondContact O-CA 3.25Å; F84-L99 HydrophobicContact CD1-CD1 4.15Å; F84-L99 PolarHBondContact N-O 3.04Å; F84-L99 PolarHBondContact O-N 3.23Å; F84-F564 HydrophobicContact CE2-CE1 4.04Å; F84-F564 HydrophobicContact CE2-CE2 4.39Å; F84-F564 AromaticContact CE2-CZ 3.78Å; F84-F564 HydrophobicContact CE2-CZ 3.78Å
85S98.3Very high97.2Very high24 Ų2418.1 Ų18.117%0.16811%0.114CC..EExtended strand (participates in β ladder)trans-128.6136176.5-61.10000112.1Y75 T76 Q97 S98Y75-S85 CarbonylContact C-O 3.51Å; Y75-S85 WeakPolarHBondContact CA-O 3.25Å; T76-S85 PolarHBondContact N-O 2.98Å; T76-S85 PolarHBondContact O-N 3.32Å; S85-Q97 CarbonylContact C-O 3.55Å; S85-Q97 WeakPolarHBondContact CA-O 3.36Å; S85-S98 PolarHBondContact OG-OG 3.45Å; S85-S98 VanDerWaalsContact OG-OG 3.09Å
86H98.2Very high97.2Very high5 Ų518.1 Ų18.12%0.02312%0.118CC..EExtended strand (participates in β ladder)trans-110.3115166172.2-156.6000107.9F35 I65 H73 Y75 F84 S96 Q97F35-H86 HydrophobicContact CZ-CB 4.39Å; I65-H86 WeakPolarHBondContact CD1-O 3.18Å; I65-H86 WeakPolarHBondContact CG1-ND1 3.32Å; H73-H86 AromaticContact CE1-NE2 3.93Å; H73-H86 AromaticContact CG-NE2 4Å; H73-H86 AromaticContact ND1-CE1 3.74Å; H73-H86 AromaticContact ND1-NE2 3.1Å; H73-H86 PolarHBondContact ND1-NE2 3.3Å; Y75-H86 HydrophobicContact CD1-CB 3.79Å; Y75-H86 AromaticContact CD1-CD2 3.77Å; Y75-H86 AromaticContact CD1-CG 3.77Å; Y75-H86 HydrophobicContact CE1-CB 3.84Å; Y75-H86 AromaticContact CE1-CD2 3.3Å; Y75-H86 WeakPolarHBondContact CE1-CD2 3.39Å; Y75-H86 AromaticContact CE1-CE1 3.99Å; Y75-H86 AromaticContact CE1-CG 3.33Å; Y75-H86 AromaticContact CE1-ND1 3.76Å; Y75-H86 AromaticContact CE1-NE2 3.75Å; Y75-H86 AromaticContact CZ-CD2 3.73Å; Y75-H86 AromaticContact CZ-NE2 3.8Å; F84-H86 HydrophobicContact CE1-CB 4.43Å; H86-S96 CarbonylContact O-C 3.55Å; H86-S96 WeakPolarHBondContact O-CA 3.24Å; H86-Q97 HydrophobicContact CB-CB 4.46Å; H86-Q97 PolarHBondContact N-O 3.41Å; H86-Q97 PolarHBondContact O-N 3.01Å
87T98.2Very high97.2Very high32 Ų3217 Ų1720%0.19611%0.111CC..EExtended strand (participates in β ladder)trans-106.3124.9171.4-61.90000109.3H73 N74 T94 A95 S96H73-T87 CarbonylContact C-O 3.53Å; N74-T87 PolarHBondContact N-O 2.79Å; N74-T87 PolarHBondContact O-N 3.35Å; T87-T94 HydrophobicContact CG2-CG2 3.73Å; T87-A95 CarbonylContact C-O 3.55Å; T87-A95 VanDerWaalsContact CA-O 3.3Å; T87-A95 WeakPolarHBondContact CA-O 3.43Å; T87-S96 PolarHBondContact OG1-OG 2.92Å
88L96.6Very high97.2Very high0 Ų017.5 Ų17.50%011%0.114CC..EExtended strand (participates in β ladder)trans-108.9143.5164.866.782.4000109.9I65 T67 A71 Q72 T94 A95I65-L88 HydrophobicContact CB-CD2 4.04Å; I65-L88 HydrophobicContact CD1-CD2 3.71Å; I65-L88 HydrophobicContact CD1-CG 3.85Å; I65-L88 HydrophobicContact CG1-CD2 3.76Å; I65-L88 HydrophobicContact CG1-CG 4.44Å; T67-L88 HydrophobicContact CG2-CD1 3.34Å; T67-L88 HydrophobicContact CG2-CD2 4.1Å; T67-L88 HydrophobicContact CG2-CG 4.4Å; A71-L88 HydrophobicContact CB-CB 4.03Å; A71-L88 HydrophobicContact CB-CD1 4.2Å; Q72-L88 CarbonylContact O-C 3.52Å; Q72-L88 VanDerWaalsContact O-CA 3.27Å; Q72-L88 WeakPolarHBondContact O-CA 3.47Å; L88-T94 WeakPolarHBondContact O-CA 3.35Å; L88-A95 HydrophobicContact CD1-CB 3.7Å; L88-A95 HydrophobicContact CD2-CB 4.5Å; L88-A95 HydrophobicContact CG-CB 3.87Å; L88-A95 PolarHBondContact N-O 2.89Å; L88-A95 PolarHBondContact O-N 3.3Å
89S96.9Very high97.2Very high23 Ų2315.8 Ų15.816%0.16111%0.105CC..EExtended strand (participates in β ladder)trans-131105-176.2-74.60000109.6A71 Q72 R118A71-S89 CarbonylContact C-O 3.58Å; A71-S89 VanDerWaalsContact CA-O 3.32Å; A71-S89 WeakPolarHBondContact CA-O 3.43Å; Q72-S89 PolarHBondContact N-O 2.88Å; Q72-S89 PolarHBondContact O-N 2.93Å; S89-R118 PolarHBondContact OG-NH2 2.89Å
90S95.1Very high97.3Very high8 Ų815.8 Ų15.86%0.05611%0.105CC..  trans-101.3-171.5175.885.50000111.3E69 S92 V93 R118E69-S90 WeakPolarHBondContact OE2-CB 3.39Å; E69-S90 PolarHBondContact OE2-OG 3.42Å; S90-S92 PolarHBondContact OG-N 3.12Å; S90-S92 PolarHBondContact OG-OG 3.24Å; S90-V93 PolarHBondContact N-O 2.97Å; S90-V93 PolarHBondContact OG-N 2.65Å; S90-R118 WeakPolarHBondContact O-CD 3.22Å
91A93Very high97.3Very high76 Ų7613 Ų1363%0.6289%0.092SC*.SBendtrans-67.9-37.9173.400000111.5E69 V119E69-A91 PolarHBondContact OE2-N 3.23Å; A91-V119 WeakPolarHBondContact O-CG1 3.46Å
92S93.1Very high97.3Very high17 Ų1712.2 Ų12.212%0.1199%0.087CC..SBendtrans-93.7-26-17561.10000115.1E69 S90 R118E69-S92 VanDerWaalsContact OE1-CB 3.28Å; E69-S92 WeakPolarHBondContact OE1-CB 3.39Å; E69-S92 PolarHBondContact OE1-OG 3.37Å; E69-S92 PolarHBondContact OE2-N 2.95Å; E69-S92 VanDerWaalsContact OE2-N 3.1Å; E69-S92 PolarHBondContact OE2-OG 3.36Å; S90-S92 PolarHBondContact OG-N 3.12Å; S90-S92 PolarHBondContact OG-OG 3.24Å; S92-R118 PolarHBondContact O-N 2.9Å
93V95.8Very high97.3Very high1 Ų112.2 Ų12.21%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-147.9146.1-170.764.60000114.4T67 S90 L115 E116 V125 V127T67-V93 HydrophobicContact CG2-CG1 4.37Å; S90-V93 PolarHBondContact N-O 2.97Å; S90-V93 PolarHBondContact OG-N 2.65Å; V93-L115 HydrophobicContact CG2-CB 4.18Å; V93-L115 HydrophobicContact CG2-CD2 4.21Å; V93-E116 WeakPolarHBondContact CA-O 3.46Å; V93-V125 HydrophobicContact CB-CG1 3.5Å; V93-V125 VanDerWaalsContact CB-CG1 3.5Å; V93-V125 HydrophobicContact CG1-CG1 3.61Å; V93-V125 HydrophobicContact CG2-CG1 3.87Å; V93-V127 HydrophobicContact CG1-CG2 4.25Å
94T97.6Very high97.1Very high22 Ų2215.8 Ų15.814%0.13510%0.102CC..EExtended strand (participates in β ladder)trans-97118.5154.2-470000107.8T87 L88 E116 R118T87-T94 HydrophobicContact CG2-CG2 3.73Å; L88-T94 WeakPolarHBondContact O-CA 3.35Å; T94-E116 PolarHBondContact N-O 2.85Å; T94-E116 PolarHBondContact O-N 3.21Å; T94-R118 VanDerWaalsContact OG1-CZ 3.26Å; T94-R118 PolarHBondContact OG1-NE 2.98Å; T94-R118 PolarHBondContact OG1-NH2 3.39Å
95A98Very high97Very high0 Ų018.5 Ų18.50%011%0.112CC..EExtended strand (participates in β ladder)trans-112128.2172.800000109.4I65 T87 L88 L114 L115 V127I65-A95 HydrophobicContact CD1-CB 4Å; I65-A95 WeakPolarHBondContact CD1-O 3.36Å; T87-A95 CarbonylContact C-O 3.55Å; T87-A95 VanDerWaalsContact CA-O 3.3Å; T87-A95 WeakPolarHBondContact CA-O 3.43Å; L88-A95 HydrophobicContact CD1-CB 3.7Å; L88-A95 HydrophobicContact CD2-CB 4.5Å; L88-A95 HydrophobicContact CG-CB 3.87Å; L88-A95 PolarHBondContact N-O 2.89Å; L88-A95 PolarHBondContact O-N 3.3Å; A95-L114 CarbonylContact C-O 3.43Å; A95-L114 WeakPolarHBondContact CA-O 3.37Å; A95-L115 HydrophobicContact CB-CD2 3.25Å; A95-V127 HydrophobicContact CB-CG1 4.29Å; A95-V127 HydrophobicContact CB-CG2 4.11Å
96S98.1Very high96.8Very high26 Ų2617.9 Ų17.918%0.18211%0.108CC..EExtended strand (participates in β ladder)trans-123.2120.1178.9-66.70000109.8H86 T87 V113 L114H86-S96 CarbonylContact O-C 3.55Å; H86-S96 WeakPolarHBondContact O-CA 3.24Å; T87-S96 PolarHBondContact OG1-OG 2.92Å; S96-V113 CarbonylContact O-C 3.49Å; S96-V113 WeakPolarHBondContact O-CA 3.33Å; S96-L114 PolarHBondContact N-O 3.17Å; S96-L114 PolarHBondContact O-N 3.29Å
97Q98.5Very high96.7Very high1 Ų119 Ų191%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-99130170.3-177.7-177.923.500108.5A63 I65 S85 H86 L99 M111 E112 V113A63-Q97 PolarHBondContact O-NE2 3.11Å; I65-Q97 HydrophobicContact CD1-CB 3.9Å; I65-Q97 HydrophobicContact CG1-CB 3.97Å; I65-Q97 HydrophobicContact CG2-CB 3.97Å; I65-Q97 HydrophobicContact CG2-CG 4.49Å; S85-Q97 CarbonylContact C-O 3.55Å; S85-Q97 WeakPolarHBondContact CA-O 3.36Å; H86-Q97 HydrophobicContact CB-CB 4.46Å; H86-Q97 PolarHBondContact N-O 3.41Å; H86-Q97 PolarHBondContact O-N 3.01Å; Q97-L99 HydrophobicContact CG-CD2 4.32Å; Q97-L99 HydrophobicContact CG-CG 4.32Å; Q97-M111 HydrophobicContact CG-CG 4.22Å; Q97-M111 HydrophobicContact CG-SD 4.47Å; Q97-M111 PolarHBondContact NE2-SD 3.26Å; Q97-E112 CarbonylContact C-O 3.58Å; Q97-E112 VanDerWaalsContact CA-O 3.29Å; Q97-E112 WeakPolarHBondContact CA-O 3.5Å; Q97-V113 HydrophobicContact CG-CG2 4.48Å
98S98.6Very high96.7Very high10 Ų1017.4 Ų17.47%0.0711%0.105CC..EExtended strand (participates in β ladder)trans-118.1133.7172.8-67.10000109.9F84 S85 M111 E112 R223F84-S98 CarbonylContact O-C 3.59Å; F84-S98 WeakPolarHBondContact O-CA 3.25Å; S85-S98 PolarHBondContact OG-OG 3.45Å; S85-S98 VanDerWaalsContact OG-OG 3.09Å; S98-M111 CarbonylContact O-C 3.56Å; S98-M111 WeakPolarHBondContact O-CA 3.47Å; S98-E112 PolarHBondContact N-O 3.34Å; S98-E112 PolarHBondContact O-N 3.42Å; S98-R223 PolarHBondContact OG-NH1 3.26Å
99L98.7Very high96.8Very high1 Ų117.4 Ų17.41%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-127131.2-176.9-62.9175.9000109.6L25 W32 V34 F35 F84 Q97 V110 M111L25-L99 HydrophobicContact CD1-CB 4.11Å; L25-L99 WeakPolarHBondContact CD1-O 3.06Å; W32-L99 HydrophobicContact CH2-CD1 3.77Å; W32-L99 HydrophobicContact CH2-CD2 4.08Å; W32-L99 HydrophobicContact CH2-CG 4.41Å; W32-L99 HydrophobicContact CZ3-CB 4.1Å; W32-L99 HydrophobicContact CZ3-CD1 3.92Å; W32-L99 HydrophobicContact CZ3-CD2 4.05Å; W32-L99 HydrophobicContact CZ3-CG 4.25Å; V34-L99 HydrophobicContact CB-CD1 4.38Å; V34-L99 HydrophobicContact CG1-CD1 4.4Å; F35-L99 HydrophobicContact CD1-CD1 4.01Å; F35-L99 HydrophobicContact CE1-CD1 3.65Å; F35-L99 HydrophobicContact CZ-CD1 4.3Å; F84-L99 HydrophobicContact CD1-CD1 4.15Å; F84-L99 PolarHBondContact N-O 3.04Å; F84-L99 PolarHBondContact O-N 3.23Å; Q97-L99 HydrophobicContact CG-CD2 4.32Å; Q97-L99 HydrophobicContact CG-CG 4.32Å; L99-V110 WeakPolarHBondContact CA-O 3.24Å; L99-M111 HydrophobicContact CD2-CB 3.68Å; L99-M111 HydrophobicContact CD2-CG 3.63Å; L99-M111 HydrophobicContact CD2-SD 4.16Å
100Y98.6Very high96.9Very high0 Ų016.3 Ų16.30%010%0.097CC..EExtended strand (participates in β ladder)trans-159.1147176.956.7-87.4000113.6I83 V110 R223 H226I83-Y100 HydrophobicContact CD1-CD1 4.35Å; I83-Y100 HydrophobicContact CG1-CD1 3.98Å; I83-Y100 HydrophobicContact CG1-CG 4.18Å; I83-Y100 HydrophobicContact CG2-CD1 4.36Å; Y100-V110 HydrophobicContact CD1-CB 4.25Å; Y100-V110 HydrophobicContact CD2-CB 4Å; Y100-V110 HydrophobicContact CD2-CG2 4.09Å; Y100-V110 HydrophobicContact CE1-CB 3.83Å; Y100-V110 HydrophobicContact CE1-CG1 3.8Å; Y100-V110 HydrophobicContact CE2-CB 3.57Å; Y100-V110 HydrophobicContact CE2-CG1 4.13Å; Y100-V110 HydrophobicContact CE2-CG2 3.48Å; Y100-V110 VanDerWaalsContact CE2-CG2 3.48Å; Y100-V110 HydrophobicContact CG-CB 4.33Å; Y100-V110 VanDerWaalsContact CZ-CB 3.48Å; Y100-V110 PolarHBondContact N-O 2.93Å; Y100-V110 VanDerWaalsContact N-O 3.13Å; Y100-V110 PolarHBondContact O-N 2.91Å; Y100-V110 WeakPolarHBondContact OH-CG1 3.39Å; Y100-R223 WeakPolarHBondContact OH-CA 3.12Å; Y100-H226 HydrophobicContact CD2-CB 4.31Å; Y100-H226 AromaticContact CD2-CD2 3.6Å; Y100-H226 AromaticContact CD2-CE1 3.58Å; Y100-H226 AromaticContact CD2-CG 3.66Å; Y100-H226 AromaticContact CD2-ND1 3.67Å; Y100-H226 AromaticContact CD2-NE2 3.52Å; Y100-H226 HydrophobicContact CE2-CB 3.96Å; Y100-H226 AromaticContact CE2-CD2 3.89Å; Y100-H226 AromaticContact CE2-CG 3.81Å; Y100-H226 AromaticContact CG-CD2 3.99Å; Y100-H226 AromaticContact CG-CE1 3.97Å; Y100-H226 AromaticContact CG-NE2 3.62Å
101C97.7Very high97.1Very high4 Ų416 Ų163%0.02710%0.095CC..EExtended strand (participates in β ladder)trans-80.8119.7161.9-62.10000107.9L25 N27 R103 L109 H226L25-C101 VanDerWaalsContact C-SG 3.57Å; L25-C101 PolarHBondContact O-SG 3.06Å; N27-C101 HydrophobicContact CB-CB 3.97Å; C101-R103 PolarHBondContact O-N 3.3Å; C101-L109 HydrophobicContact CB-CD1 4.38Å; C101-L109 WeakPolarHBondContact SG-CD1 3.08Å; C101-H226 PolarHBondContact O-CE1 2.66Å; C101-H226 VanDerWaalsContact O-CE1 3.24Å; C101-H226 PolarHBondContact O-ND1 3.04Å
102H98.1Very high97.3Very high0 Ų013.2 Ų13.20%07%0.069CC..  trans-62.5130.7-174.8-166.3-58.6000110.1N27 F104 Y105 I108 L222 S225N27-H102 WeakPolarHBondContact CB-O 3.27Å; N27-H102 PolarHBondContact ND2-O 3.07Å; H102-F104 PolarHBondContact ND1-N 2.79Å; H102-Y105 AromaticContact CE1-CD2 3.33Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.16Å; H102-Y105 AromaticContact CE1-CE2 3.95Å; H102-Y105 AromaticContact ND1-CD2 3.65Å; H102-Y105 PolarHBondContact ND1-N 3.4Å; H102-Y105 VanDerWaalsContact ND1-N 3.16Å; H102-Y105 AromaticContact NE2-CD2 3.68Å; H102-I108 HydrophobicContact CB-CB 3.97Å; H102-I108 HydrophobicContact CB-CG2 4.41Å; H102-I108 VanDerWaalsContact CB-O 3.24Å; H102-I108 WeakPolarHBondContact CB-O 3.32Å; H102-I108 PolarHBondContact N-O 3.29Å; H102-L222 PolarHBondContact NE2-O 3.28Å; H102-L222 VanDerWaalsContact NE2-O 3.11Å; H102-S225 PolarHBondContact CE1-OG 3.04Å; H102-S225 PolarHBondContact NE2-OG 2.98Å; H102-S225 VanDerWaalsContact NE2-OG 3.1Å
103R96.4Very high97.6Very high4 Ų412.4 Ų12.42%0.0156%0.063CC..SBendtrans-82.4-36.9-167.1-179.859.5-170.5-138.722.9112.3C101 H226 A229 W230 L233 L259 F262 P263 S264C101-R103 PolarHBondContact O-N 3.3Å; R103-H226 PolarHBondContact N-ND1 3.28Å; R103-H226 VanDerWaalsContact N-ND1 3.12Å; R103-A229 HydrophobicContact CB-CB 3.99Å; R103-A229 HydrophobicContact CG-CB 3.86Å; R103-W230 HydrophobicContact CB-CG 4.36Å; R103-W230 HydrophobicContact CG-CD2 4.45Å; R103-W230 HydrophobicContact CG-CG 4.25Å; R103-L233 VanDerWaalsContact NH1-CD2 3.27Å; R103-L259 VanDerWaalsContact CZ-O 3.29Å; R103-L259 PolarHBondContact NH1-O 3.29Å; R103-L259 PolarHBondContact NH2-O 2.72Å; R103-F262 PolarHBondContact NH2-O 3.48Å; R103-P263 PolarHBondContact NH2-O 3.03Å; R103-S264 WeakPolarHBondContact O-CB 3.38Å
104F95.8Very high97.7Very high76 Ų7614 Ų1433%0.3337%0.071SC..SBendtrans-78.9-55.9176.1-165.5-89.1000112.1H102 A106 A229 H266H102-F104 PolarHBondContact ND1-N 2.79Å; F104-A106 PolarHBondContact O-N 2.97Å; F104-A229 HydrophobicContact CB-CB 4.03Å; F104-A229 HydrophobicContact CD2-CB 4.44Å; F104-H266 HydrophobicContact CD2-CB 4.36Å; F104-H266 AromaticContact CD2-CD2 3.72Å; F104-H266 HydrophobicContact CE2-CB 3.66Å; F104-H266 AromaticContact CE2-CD2 3.46Å; F104-H266 VanDerWaalsContact CE2-CD2 3.46Å; F104-H266 WeakPolarHBondContact CE2-CD2 3.34Å; F104-H266 AromaticContact CE2-CG 3.63Å; F104-H266 HydrophobicContact CZ-CB 4.16Å
105Y95.8Very high97.7Very high59 Ų5912.9 Ų12.923%0.2317%0.065CC..SBendtrans-88.994177.9-54.7-78.9000111.5H102 N107 I108 E212 L216H102-Y105 AromaticContact CE1-CD2 3.33Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.16Å; H102-Y105 AromaticContact CE1-CE2 3.95Å; H102-Y105 AromaticContact ND1-CD2 3.65Å; H102-Y105 PolarHBondContact ND1-N 3.4Å; H102-Y105 VanDerWaalsContact ND1-N 3.16Å; H102-Y105 AromaticContact NE2-CD2 3.68Å; Y105-N107 PolarHBondContact O-N 2.94Å; Y105-N107 VanDerWaalsContact O-N 3.14Å; Y105-I108 HydrophobicContact CG-CD1 4.23Å; Y105-I108 PolarHBondContact O-N 2.93Å; Y105-I108 VanDerWaalsContact O-N 3.15Å; Y105-E212 HydrophobicContact CD1-CG 3.9Å; Y105-E212 HydrophobicContact CE1-CG 3.48Å; Y105-E212 VanDerWaalsContact CE1-CG 3.48Å; Y105-E212 WeakPolarHBondContact CE1-OE1 3.37Å; Y105-E212 VanDerWaalsContact CZ-OE1 3.24Å; Y105-E212 PolarHBondContact OH-OE1 3.42Å; Y105-L216 HydrophobicContact CD2-CD1 3.57Å; Y105-L216 HydrophobicContact CE2-CD1 3.3Å; Y105-L216 HydrophobicContact CE2-CD2 4.15Å; Y105-L216 HydrophobicContact CE2-CG 4.31Å; Y105-L216 HydrophobicContact CG-CD1 4.43Å
106A94.5Very high97.6Very high10 Ų1017 Ų178%0.0838%0.084CC..THydrogen-bonded Turntrans-60.5-28.1-168.700000114.5N27 L29 L30 F104 I108N27-A106 WeakPolarHBondContact ND2-CA 3.07Å; N27-A106 PolarHBondContact ND2-O 3.22Å; N27-A106 PolarHBondContact OD1-O 2.69Å; L29-A106 HydrophobicContact CB-CB 3.79Å; L29-A106 HydrophobicContact CD2-CB 3.87Å; L30-A106 WeakPolarHBondContact CD1-O 3.5Å; L30-A106 WeakPolarHBondContact CG-O 3.33Å; F104-A106 PolarHBondContact O-N 2.97Å; A106-I108 VanDerWaalsContact C-N 3.3Å; A106-I108 PolarHBondContact O-N 3.47Å
107N96.7Very high97.5Very high28 Ų2817.6 Ų17.615%0.158%0.082CC..THydrogen-bonded Turntrans-78.6-4.4-179.3-60.993.9000114.9L29 L30 Y105 V198 V199L29-N107 WeakPolarHBondContact CD2-ND2 3.46Å; L30-N107 WeakPolarHBondContact CD1-O 3.25Å; Y105-N107 PolarHBondContact O-N 2.94Å; Y105-N107 VanDerWaalsContact O-N 3.14Å; N107-V198 HydrophobicContact CB-CG1 4.31Å; N107-V198 VanDerWaalsContact O-CA 3.28Å; N107-V198 WeakPolarHBondContact O-CA 3.46Å; N107-V199 WeakPolarHBondContact CB-O 3.46Å; N107-V199 PolarHBondContact ND2-O 3.01Å; N107-V199 PolarHBondContact O-N 3.04Å; N107-V199 VanDerWaalsContact O-N 3.12Å
108I98.1Very high97.2Very high0 Ų023.6 Ų23.60%011%0.105CC..EExtended strand (participates in β ladder)trans-107.7123.5-170.4-52.5-177.8000111.2H102 Y105 A106 V110 I196 L197 V198H102-I108 HydrophobicContact CB-CB 3.97Å; H102-I108 HydrophobicContact CB-CG2 4.41Å; H102-I108 VanDerWaalsContact CB-O 3.24Å; H102-I108 WeakPolarHBondContact CB-O 3.32Å; H102-I108 PolarHBondContact N-O 3.29Å; Y105-I108 HydrophobicContact CG-CD1 4.23Å; Y105-I108 PolarHBondContact O-N 2.93Å; Y105-I108 VanDerWaalsContact O-N 3.15Å; A106-I108 VanDerWaalsContact C-N 3.3Å; A106-I108 PolarHBondContact O-N 3.47Å; I108-V110 HydrophobicContact CG2-CG2 3.8Å; I108-I196 HydrophobicContact CG2-CB 4.24Å; I108-I196 HydrophobicContact CG2-CG2 4.22Å; I108-L197 WeakPolarHBondContact CA-O 3.42Å; I108-V198 HydrophobicContact CG1-CG2 4.21Å
109L98.4Very high96.8Very high0 Ų026.3 Ų26.30%012%0.121CC..EExtended strand (participates in β ladder)trans-101.8140.1163.4-172.582.2000109W32 L61 C101 I196 L197W32-L109 HydrophobicContact CD2-CD2 4.31Å; W32-L109 HydrophobicContact CE3-CD1 3.84Å; W32-L109 HydrophobicContact CE3-CD2 3.96Å; W32-L109 HydrophobicContact CE3-CG 4.41Å; W32-L109 HydrophobicContact CZ3-CD2 4.26Å; L61-L109 HydrophobicContact CB-CD2 4.01Å; L61-L109 HydrophobicContact CD1-CB 4.34Å; L61-L109 HydrophobicContact CD1-CD2 3.81Å; L61-L109 HydrophobicContact CD1-CG 4.02Å; L61-L109 HydrophobicContact CG-CD2 4.15Å; C101-L109 HydrophobicContact CB-CD1 4.38Å; C101-L109 WeakPolarHBondContact SG-CD1 3.08Å; L109-I196 WeakPolarHBondContact O-CA 3.44Å; L109-L197 HydrophobicContact CB-CB 4.19Å; L109-L197 HydrophobicContact CB-CD2 4.35Å; L109-L197 HydrophobicContact CB-CG 4.5Å; L109-L197 HydrophobicContact CD2-CD2 3.87Å; L109-L197 PolarHBondContact N-O 3.04Å; L109-L197 PolarHBondContact O-N 3.43Å
110V98.7Very high96.1Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-127.5139-175.1-172.30000111.9L99 Y100 I108 E112 I196 L222L99-V110 WeakPolarHBondContact CA-O 3.24Å; Y100-V110 HydrophobicContact CD1-CB 4.25Å; Y100-V110 HydrophobicContact CD2-CB 4Å; Y100-V110 HydrophobicContact CD2-CG2 4.09Å; Y100-V110 HydrophobicContact CE1-CB 3.83Å; Y100-V110 HydrophobicContact CE1-CG1 3.8Å; Y100-V110 HydrophobicContact CE2-CB 3.57Å; Y100-V110 HydrophobicContact CE2-CG1 4.13Å; Y100-V110 HydrophobicContact CE2-CG2 3.48Å; Y100-V110 VanDerWaalsContact CE2-CG2 3.48Å; Y100-V110 HydrophobicContact CG-CB 4.33Å; Y100-V110 VanDerWaalsContact CZ-CB 3.48Å; Y100-V110 PolarHBondContact N-O 2.93Å; Y100-V110 VanDerWaalsContact N-O 3.13Å; Y100-V110 PolarHBondContact O-N 2.91Å; Y100-V110 WeakPolarHBondContact OH-CG1 3.39Å; I108-V110 HydrophobicContact CG2-CG2 3.8Å; V110-E112 HydrophobicContact CG1-CG 4.07Å; V110-I196 HydrophobicContact CG2-CG2 4.26Å; V110-L222 HydrophobicContact CB-CD2 4.48Å; V110-L222 HydrophobicContact CG1-CD2 3.63Å; V110-L222 HydrophobicContact CG1-CG 4.42Å; V110-L222 HydrophobicContact CG2-CD1 4.11Å; V110-L222 HydrophobicContact CG2-CD2 3.96Å; V110-L222 HydrophobicContact CG2-CG 4.18Å
111M98.6Very high95.4Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-122.7124.7162.5176.8176.774.500109.5L61 A63 Q97 S98 L99 V113 V178 G194 F195L61-M111 HydrophobicContact CB-CB 4.43Å; L61-M111 HydrophobicContact CD1-CB 4.07Å; L61-M111 HydrophobicContact CD2-CB 4.45Å; A63-M111 HydrophobicContact CB-CE 4.46Å; A63-M111 HydrophobicContact CB-SD 4.22Å; Q97-M111 HydrophobicContact CG-CG 4.22Å; Q97-M111 HydrophobicContact CG-SD 4.47Å; Q97-M111 PolarHBondContact NE2-SD 3.26Å; S98-M111 CarbonylContact O-C 3.56Å; S98-M111 WeakPolarHBondContact O-CA 3.47Å; L99-M111 HydrophobicContact CD2-CB 3.68Å; L99-M111 HydrophobicContact CD2-CG 3.63Å; L99-M111 HydrophobicContact CD2-SD 4.16Å; M111-V113 HydrophobicContact CG-CG2 4.47Å; M111-V178 HydrophobicContact CE-CB 4.44Å; M111-V178 HydrophobicContact CE-CG1 3.72Å; M111-V178 HydrophobicContact CE-CG2 3.78Å; M111-G194 CarbonylContact O-C 3.57Å; M111-F195 HydrophobicContact CB-CB 4.36Å; M111-F195 HydrophobicContact CE-CB 4.1Å; M111-F195 HydrophobicContact CE-CD2 3.32Å; M111-F195 HydrophobicContact CE-CE2 3.85Å; M111-F195 HydrophobicContact CE-CG 3.78Å; M111-F195 HydrophobicContact CG-CD2 4.38Å; M111-F195 PolarHBondContact N-O 3.04Å; M111-F195 PolarHBondContact O-N 3.38Å
112E98.3Very high94.9Very high18 Ų1844.1 Ų44.18%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-112.7142.4169.6-63.3-176.5108.700109.8Q97 S98 V110 R192 W193 R223Q97-E112 CarbonylContact C-O 3.58Å; Q97-E112 VanDerWaalsContact CA-O 3.29Å; Q97-E112 WeakPolarHBondContact CA-O 3.5Å; S98-E112 PolarHBondContact N-O 3.34Å; S98-E112 PolarHBondContact O-N 3.42Å; V110-E112 HydrophobicContact CG1-CG 4.07Å; E112-R192 IonicContact OE1-NH1 3.43Å; E112-R192 PolarHBondContact OE1-NH1 3.33Å; E112-W193 CarbonylContact C-O 3.56Å; E112-W193 WeakPolarHBondContact CA-O 3.49Å; E112-R223 VanDerWaalsContact OE2-CD 3.27Å; E112-R223 WeakPolarHBondContact OE2-CD 3.21Å; E112-R223 IonicContact OE2-NH1 3.52Å
113V98.4Very high94.5Very high0 Ų050.4 Ų50.40%025%0.249CC..EExtended strand (participates in β ladder)trans-125124.5172.1-178.70000108.6I65 S96 Q97 M111 L115 L129 V182 R192 W193 F195I65-V113 HydrophobicContact CG2-CG1 4.17Å; I65-V113 HydrophobicContact CG2-CG2 4.28Å; S96-V113 CarbonylContact O-C 3.49Å; S96-V113 WeakPolarHBondContact O-CA 3.33Å; Q97-V113 HydrophobicContact CG-CG2 4.48Å; M111-V113 HydrophobicContact CG-CG2 4.47Å; V113-L115 HydrophobicContact CG1-CD2 4.25Å; V113-L129 HydrophobicContact CG2-CD2 4.06Å; V113-V182 HydrophobicContact CG1-CG2 4.08Å; V113-R192 CarbonylContact O-C 3.51Å; V113-R192 VanDerWaalsContact O-CA 3.27Å; V113-R192 WeakPolarHBondContact O-CA 3.38Å; V113-W193 PolarHBondContact N-O 3.04Å; V113-W193 PolarHBondContact O-N 2.83Å; V113-F195 HydrophobicContact CG2-CE2 4.38Å
114L97.9Very high94.3Very high34 Ų3452.9 Ų52.918%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-114.5124.6175173.266.2000108.7A95 S96 E116 A191 R192A95-L114 CarbonylContact C-O 3.43Å; A95-L114 WeakPolarHBondContact CA-O 3.37Å; S96-L114 PolarHBondContact N-O 3.17Å; S96-L114 PolarHBondContact O-N 3.29Å; L114-E116 HydrophobicContact CD1-CG 4.31Å; L114-E116 HydrophobicContact CD2-CG 4.28Å; L114-E116 HydrophobicContact CG-CG 4.08Å; L114-A191 WeakPolarHBondContact CD1-O 3.49Å; L114-R192 HydrophobicContact CD1-CB 4.35Å
115L97.8Very high94.2Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-107.6132.4169.7-58.7-176.3000109.5V93 A95 V113 V127 V182 L184 K190 A191 W193V93-L115 HydrophobicContact CG2-CB 4.18Å; V93-L115 HydrophobicContact CG2-CD2 4.21Å; A95-L115 HydrophobicContact CB-CD2 3.25Å; V113-L115 HydrophobicContact CG1-CD2 4.25Å; L115-V127 HydrophobicContact CD1-CB 4.31Å; L115-V127 HydrophobicContact CD1-CG2 4.03Å; L115-V127 HydrophobicContact CD2-CB 4.04Å; L115-V127 HydrophobicContact CD2-CG1 4.45Å; L115-V127 HydrophobicContact CD2-CG2 3.55Å; L115-V127 HydrophobicContact CG-CG2 4.44Å; L115-V182 HydrophobicContact CD1-CB 4.44Å; L115-V182 HydrophobicContact CD1-CG2 3.84Å; L115-V182 HydrophobicContact CG-CG2 4.39Å; L115-L184 HydrophobicContact CB-CB 4.41Å; L115-L184 HydrophobicContact CB-CD2 4.33Å; L115-L184 HydrophobicContact CD1-CB 4.24Å; L115-K190 WeakPolarHBondContact O-CA 3.42Å; L115-K190 WeakPolarHBondContact O-CB 3.38Å; L115-A191 PolarHBondContact N-O 2.95Å; L115-A191 PolarHBondContact O-N 2.8Å; L115-A191 VanDerWaalsContact O-N 3.07Å; L115-W193 HydrophobicContact CB-CH2 4.41Å; L115-W193 HydrophobicContact CB-CZ3 3.93Å; L115-W193 HydrophobicContact CD1-CH2 3.67Å; L115-W193 HydrophobicContact CD1-CZ3 3.62Å; L115-W193 HydrophobicContact CG-CE3 4.44Å; L115-W193 HydrophobicContact CG-CH2 4.08Å; L115-W193 HydrophobicContact CG-CZ3 3.52Å
116E97.2Very high94.1Very high86 Ų8650.4 Ų50.440%0.40226%0.263SS..EExtended strand (participates in β ladder)trans-125.8119.7173.8-60.1-172.8143.800110V93 T94 L114 K190V93-E116 WeakPolarHBondContact CA-O 3.46Å; T94-E116 PolarHBondContact N-O 2.85Å; T94-E116 PolarHBondContact O-N 3.21Å; L114-E116 HydrophobicContact CD1-CG 4.31Å; L114-E116 HydrophobicContact CD2-CG 4.28Å; L114-E116 HydrophobicContact CG-CG 4.08Å; E116-K190 HydrophobicContact CG-CB 4.2Å
117R95.3Very high94.3Very high38 Ų3849.9 Ų49.914%0.14326%0.259CS..EExtended strand (participates in β ladder)trans-69.6130.7-178.8-178178.3-69.4-831.6110.5V119 L184 P185 Q188 T189R117-V119 WeakPolarHBondContact CD-O 3.23Å; R117-V119 WeakPolarHBondContact CG-O 3.3Å; R117-L184 HydrophobicContact CB-CD2 3.79Å; R117-L184 PolarHBondContact NH2-O 3.44Å; R117-L184 VanDerWaalsContact NH2-O 3.1Å; R117-P185 VanDerWaalsContact NH2-C 3.29Å; R117-P185 PolarHBondContact NH2-O 3.05Å; R117-Q188 PolarHBondContact NE-O 3.19Å; R117-Q188 VanDerWaalsContact NE-O 3.14Å; R117-T189 PolarHBondContact N-O 2.94Å
118R92.7Very high94.3Very high127 Ų12750.8 Ų50.848%0.47926%0.263SS..  trans-97.1-25175.9-68.9-172.6170.9-163.4-3113.9S89 S90 S92 T94S89-R118 PolarHBondContact OG-NH2 2.89Å; S90-R118 WeakPolarHBondContact O-CD 3.22Å; S92-R118 PolarHBondContact O-N 2.9Å; T94-R118 VanDerWaalsContact OG1-CZ 3.26Å; T94-R118 PolarHBondContact OG1-NE 2.98Å; T94-R118 PolarHBondContact OG1-NH2 3.39Å
119V88.7Confident94.2Very high68 Ų6851.1 Ų51.141%0.41227%0.265SS..SBendtrans-132.9141.7-177.6-59.20000111.6A91 R117 S121A91-V119 WeakPolarHBondContact O-CG1 3.46Å; R117-V119 WeakPolarHBondContact CD-O 3.23Å; R117-V119 WeakPolarHBondContact CG-O 3.3Å; V119-S121 PolarHBondContact O-N 3.21Å
120T84.7Confident94.1Very high150 Ų15054.4 Ų54.492%0.9229%0.285SS*.  trans-69.6122.4170.4-50.30000109
121S84.6Confident93.8Very high49 Ų4956.8 Ų56.834%0.34330%0.302SS..  trans-144.7148177.5-179.60000108.9V119 E123V119-S121 PolarHBondContact O-N 3.21Å; S121-E123 PolarHBondContact OG-N 3.24Å; S121-E123 VanDerWaalsContact OG-N 3.16Å
122E87.1Confident93.1Very high179 Ų17960.9 Ų60.984%0.83633%0.33SS*.SBendtrans-77.2-10.5171.9-64.3-171.4170.100112.3P186E122-P186 WeakPolarHBondContact O-CG 3.37Å
123E89.9Confident92.8Very high133 Ų13362.7 Ų62.762%0.62134%0.338SS*.SBendtrans-93.9145.2177.3-62.9-61.6157.900112S121S121-E123 PolarHBondContact OG-N 3.24Å; S121-E123 VanDerWaalsContact OG-N 3.16Å
124P91.8Very high92.5Very high56 Ų5667 Ų6736%0.36436%0.361SS..PPolyproline II helixtrans-65.8144171.928.7-33.1000110.6L184P124-L184 WeakPolarHBondContact CA-O 3.29Å
125V93.3Very high92.2Very high11 Ų1167.7 Ų67.77%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-88.8124.4169.8179.40000107.8V93 S183 L184V93-V125 HydrophobicContact CB-CG1 3.5Å; V93-V125 VanDerWaalsContact CB-CG1 3.5Å; V93-V125 HydrophobicContact CG1-CG1 3.61Å; V93-V125 HydrophobicContact CG2-CG1 3.87Å; V125-S183 CarbonylContact O-C 3.49Å; V125-S183 WeakPolarHBondContact O-CA 3.46Å; V125-L184 HydrophobicContact CB-CB 4.36Å; V125-L184 PolarHBondContact N-O 3.12Å; V125-L184 PolarHBondContact O-N 3.41Å
126V94.6Very high92Very high71 Ų7173.8 Ų73.843%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-111.3134.1178.9-175.10000109.7T181 V182V126-T181 HydrophobicContact CG1-CG2 3.91Å; V126-V182 WeakPolarHBondContact CA-O 3.1Å
127V96.7Very high92Very high0 Ų071 Ų710%039%0.386CS..EExtended strand (participates in β ladder)trans-122.6131.3172.3176.20000108.3I65 E66 T67 V93 A95 L115 T181 V182I65-V127 HydrophobicContact CB-CG1 3.99Å; I65-V127 HydrophobicContact CG2-CG1 4.2Å; E66-V127 WeakPolarHBondContact O-CG1 3.43Å; T67-V127 HydrophobicContact CG2-CG1 4.41Å; T67-V127 HydrophobicContact CG2-CG2 3.98Å; V93-V127 HydrophobicContact CG1-CG2 4.25Å; A95-V127 HydrophobicContact CB-CG1 4.29Å; A95-V127 HydrophobicContact CB-CG2 4.11Å; L115-V127 HydrophobicContact CD1-CB 4.31Å; L115-V127 HydrophobicContact CD1-CG2 4.03Å; L115-V127 HydrophobicContact CD2-CB 4.04Å; L115-V127 HydrophobicContact CD2-CG1 4.45Å; L115-V127 HydrophobicContact CD2-CG2 3.55Å; L115-V127 HydrophobicContact CG-CG2 4.44Å; V127-T181 WeakPolarHBondContact O-CA 3.45Å; V127-V182 HydrophobicContact CB-CG2 4.13Å; V127-V182 PolarHBondContact N-O 2.88Å; V127-V182 PolarHBondContact O-N 3.09Å
128N97.4Very high92Very high46 Ų4674.6 Ų74.625%0.24640%0.402CS..EExtended strand (participates in β ladder)trans-79.5140.8-179.9-63.7-38.4000109.9I65 E66 V130 T181I65-N128 WeakPolarHBondContact CA-O 3.33Å; E66-N128 HydrophobicContact CB-CB 4.32Å; E66-N128 PolarHBondContact N-O 3.48Å; E66-N128 PolarHBondContact O-N 3.22Å; N128-V130 HydrophobicContact CB-CG2 4.27Å; N128-T181 WeakPolarHBondContact OD1-CG2 3.22Å
129L97Very high92.2Very high7 Ų768.8 Ų68.84%0.03738%0.381CS..EExtended strand (participates in β ladder)trans-109.894.2168.2-61.8-179.4000107.4K64 I65 V113 S131 V178 P179 S180 V182 F195K64-L129 WeakPolarHBondContact O-CA 3.33Å; I65-L129 HydrophobicContact CG2-CD2 3.55Å; V113-L129 HydrophobicContact CG2-CD2 4.06Å; L129-S131 PolarHBondContact O-N 3.47Å; L129-V178 HydrophobicContact CB-CG1 4.24Å; L129-V178 HydrophobicContact CD1-CG1 3.79Å; L129-P179 WeakPolarHBondContact CB-O 3.47Å; L129-P179 HydrophobicContact CD1-CG 4.28Å; L129-S180 PolarHBondContact N-O 2.91Å; L129-V182 HydrophobicContact CD1-CG1 3.84Å; L129-F195 HydrophobicContact CD1-CE2 4.31Å; L129-F195 HydrophobicContact CD1-CZ 4.24Å
130V95.5Very high92.6Very high70 Ų7065.7 Ų65.742%0.42436%0.362SS..EExtended strand (participates in β ladder)trans-84110.1-177.8-177.30000108.3A63 K64 E66 N128A63-V130 CarbonylContact C-O 3.56Å; A63-V130 VanDerWaalsContact CA-O 3.25Å; A63-V130 WeakPolarHBondContact CA-O 3.28Å; K64-V130 PolarHBondContact N-O 3.29Å; K64-V130 PolarHBondContact O-N 2.98Å; E66-V130 HydrophobicContact CB-CG2 4.25Å; E66-V130 HydrophobicContact CG-CG2 4.05Å; E66-V130 WeakPolarHBondContact OE2-CG2 3.17Å; N128-V130 HydrophobicContact CB-CG2 4.27Å
131S91.8Very high93.1Very high50 Ų5066 Ų6635%0.3535%0.353SS..EExtended strand (participates in β ladder)trans-116.8140.7177.3-175.40000110.9A62 L129 F133A62-S131 WeakPolarHBondContact O-CA 3.34Å; A62-S131 PolarHBondContact O-OG 3.15Å; L129-S131 PolarHBondContact O-N 3.47Å; S131-F133 WeakPolarHBondContact OG-CB 3.39Å; S131-F133 PolarHBondContact OG-N 3.3Å; S131-F133 VanDerWaalsContact OG-N 3.12Å
132S83.9Confident93.7Very high85 Ų8565.1 Ų65.159%0.59434%0.343SS*.  trans-104.322.8169.661.10000111.7D134S132-D134 PolarHBondContact O-N 3.25Å
133F92.8Very high94.1Very high56 Ų5662.3 Ų62.325%0.24633%0.33CS..  trans-59.5125.6-176.5172.5-115.6000111.5P58 P60 S131 P135 W175P58-F133 HydrophobicContact CB-CE2 3.95Å; P58-F133 HydrophobicContact CG-CE2 4.42Å; P60-F133 HydrophobicContact CB-CD1 4.41Å; P60-F133 HydrophobicContact CB-CD2 4.08Å; P60-F133 HydrophobicContact CB-CE1 4.37Å; P60-F133 HydrophobicContact CB-CE2 4.02Å; P60-F133 HydrophobicContact CB-CG 4.26Å; P60-F133 HydrophobicContact CB-CZ 4.16Å; P60-F133 HydrophobicContact CG-CD2 4.05Å; P60-F133 HydrophobicContact CG-CE1 4.28Å; P60-F133 HydrophobicContact CG-CE2 3.5Å; P60-F133 HydrophobicContact CG-CZ 3.64Å; S131-F133 WeakPolarHBondContact OG-CB 3.39Å; S131-F133 PolarHBondContact OG-N 3.3Å; S131-F133 VanDerWaalsContact OG-N 3.12Å; F133-P135 HydrophobicContact CE1-CB 4.05Å; F133-P135 HydrophobicContact CE1-CG 4.48Å; F133-P135 HydrophobicContact CE2-CB 4.46Å; F133-P135 HydrophobicContact CZ-CB 3.68Å; F133-W175 HydrophobicContact CE1-CH2 4.34Å; F133-W175 AromaticContact CE1-CZ2 3.7Å; F133-W175 HydrophobicContact CE1-CZ2 3.7Å; F133-W175 HydrophobicContact CZ-CH2 4.22Å; F133-W175 AromaticContact CZ-CZ2 3.94Å; F133-W175 HydrophobicContact CZ-CZ2 3.94Å
134D91Very high94.4Very high90 Ų9061.6 Ų61.648%0.48134%0.339SS..  trans-127.3120.4172.8-173.927.4000108P58 S132 H136P58-D134 WeakPolarHBondContact CB-O 3.2Å; S132-D134 PolarHBondContact O-N 3.25Å; D134-H136 PolarHBondContact O-N 2.9Å; D134-H136 IonicContact OD1-CE1 2.76Å; D134-H136 PolarHBondContact OD1-CE1 2.79Å; D134-H136 IonicContact OD1-CG 2.86Å; D134-H136 IonicContact OD1-ND1 2.8Å; D134-H136 PolarHBondContact OD1-ND1 3.01Å; D134-H136 IonicContact OD2-CG 3.07Å; D134-H136 IonicContact OD2-ND1 2.82Å; D134-H136 PolarHBondContact OD2-ND1 3.08Å; D134-H136 VanDerWaalsContact OD2-ND1 3.15Å
135P92.8Very high94.6Very high50 Ų5059.6 Ų59.633%0.32533%0.327SS..  trans-76.232.2-176.233.3-38.2000113.2F133 I154F133-P135 HydrophobicContact CE1-CB 4.05Å; F133-P135 HydrophobicContact CE1-CG 4.48Å; F133-P135 HydrophobicContact CE2-CB 4.46Å; F133-P135 HydrophobicContact CZ-CB 3.68Å; P135-I154 HydrophobicContact CB-CD1 4.24Å
136H94.1Very high94.8Very high127 Ų12764.4 Ų64.459%0.58836%0.359SS*.  trans-108.9149178.8-63.598.3000110.8D134D134-H136 PolarHBondContact O-N 2.9Å; D134-H136 IonicContact OD1-CE1 2.76Å; D134-H136 PolarHBondContact OD1-CE1 2.79Å; D134-H136 IonicContact OD1-CG 2.86Å; D134-H136 IonicContact OD1-ND1 2.8Å; D134-H136 PolarHBondContact OD1-ND1 3.01Å; D134-H136 IonicContact OD2-CG 3.07Å; D134-H136 IonicContact OD2-ND1 2.82Å; D134-H136 PolarHBondContact OD2-ND1 3.08Å; D134-H136 VanDerWaalsContact OD2-ND1 3.15Å
137S96.3Very high94.9Very high28 Ų2865.2 Ų65.220%0.19636%0.361CS..  trans-135147.9170.5167.30000108.3D56 D139 I140D56-S137 WeakPolarHBondContact O-CB 3.35Å; D56-S137 PolarHBondContact O-OG 2.63Å; S137-D139 VanDerWaalsContact C-N 3.29Å; S137-D139 PolarHBondContact OG-N 2.73Å; S137-I140 WeakPolarHBondContact CB-O 3.46Å; S137-I140 PolarHBondContact OG-N 3.13Å; S137-I140 VanDerWaalsContact OG-N 3.09Å
138K95.1Very high95Very high113 Ų11367.6 Ų67.649%0.49137%0.37SS..SBendtrans-75.9-21.9171.371.5-174.1-170.5-146.20112D56D56-K138 IonicContact OD1-NZ 2.68Å; D56-K138 WeakPolarHBondContact OD2-CD 3.02Å; D56-K138 WeakPolarHBondContact OD2-CE 3.48Å; D56-K138 IonicContact OD2-NZ 3.52Å; D56-K138 PolarHBondContact OD2-NZ 2.72Å
139D97.6Very high95Very high6 Ų671.3 Ų71.33%0.03238%0.384CS..SBendtrans-104.9-23.8-171.3-61.6-45.3000113.4N46 H53 A55 D56 S137 T158 A159N46-D139 HydrophobicContact CB-CB 3.8Å; N46-D139 PolarHBondContact ND2-OD1 3.12Å; H53-D139 IonicContact CD2-OD2 3.72Å; H53-D139 IonicContact CE1-OD1 3.56Å; H53-D139 IonicContact NE2-OD1 3.28Å; H53-D139 PolarHBondContact NE2-OD1 2.95Å; H53-D139 IonicContact NE2-OD2 3.74Å; A55-D139 HydrophobicContact CB-CB 3.81Å; D56-D139 WeakPolarHBondContact CB-OD2 3.29Å; D56-D139 PolarHBondContact N-OD2 3.08Å; S137-D139 VanDerWaalsContact C-N 3.29Å; S137-D139 PolarHBondContact OG-N 2.73Å; D139-T158 CarbonylContact O-C 3.57Å; D139-T158 WeakPolarHBondContact O-CA 3.31Å; D139-A159 PolarHBondContact O-N 3.46Å
140I97.6Very high94.9Very high3 Ų373.8 Ų73.82%0.01541%0.411CS..EExtended strand (participates in β ladder)trans-127.9122.5-175.4-55.4172.8000109V44 A55 I57 S137 F142 T158 V171V44-I140 HydrophobicContact CG1-CD1 4.49Å; A55-I140 HydrophobicContact CB-CD1 3.9Å; A55-I140 HydrophobicContact CB-CG1 4Å; I57-I140 HydrophobicContact CG1-CD1 3.84Å; S137-I140 WeakPolarHBondContact CB-O 3.46Å; S137-I140 PolarHBondContact OG-N 3.13Å; S137-I140 VanDerWaalsContact OG-N 3.09Å; I140-F142 HydrophobicContact CB-CD2 4.12Å; I140-F142 HydrophobicContact CB-CE2 3.66Å; I140-F142 HydrophobicContact CB-CZ 3.96Å; I140-F142 HydrophobicContact CD1-CE2 4.18Å; I140-F142 HydrophobicContact CD1-CZ 3.89Å; I140-F142 HydrophobicContact CG2-CD1 4.1Å; I140-F142 HydrophobicContact CG2-CD2 3.95Å; I140-F142 HydrophobicContact CG2-CE1 3.79Å; I140-F142 HydrophobicContact CG2-CE2 3.64Å; I140-F142 HydrophobicContact CG2-CG 4.16Å; I140-F142 HydrophobicContact CG2-CZ 3.55Å; I140-F142 PolarHBondContact O-N 2.94Å; I140-F142 VanDerWaalsContact O-N 3.16Å; I140-T158 HydrophobicContact CD1-CG2 4.45Å; I140-T158 HydrophobicContact CG1-CG2 4.03Å; I140-V171 HydrophobicContact CD1-CB 4.37Å; I140-V171 HydrophobicContact CD1-CG2 3.88Å
141Q94.6Very high95Very high155 Ų15570.4 Ų70.472%0.72439%0.391SS*.EExtended strand (participates in β ladder)trans-80.897.8171.4-172.2174.3-0.800109.4G156Q141-G156 VanDerWaalsContact O-CA 3.28Å; Q141-G156 WeakPolarHBondContact O-CA 3.47Å
142F96.8Very high95.3Very high32 Ų3273.8 Ų73.814%0.1440%0.396CS..EExtended strand (participates in β ladder)trans-81.5137.2177.7-75.2-71.1000112.7P58 I140 I154 Q155 V171 L173P58-F142 VanDerWaalsContact CD-CE2 3.45Å; P58-F142 HydrophobicContact CG-CD2 4.32Å; P58-F142 HydrophobicContact CG-CE2 4.04Å; I140-F142 HydrophobicContact CB-CD2 4.12Å; I140-F142 HydrophobicContact CB-CE2 3.66Å; I140-F142 HydrophobicContact CB-CZ 3.96Å; I140-F142 HydrophobicContact CD1-CE2 4.18Å; I140-F142 HydrophobicContact CD1-CZ 3.89Å; I140-F142 HydrophobicContact CG2-CD1 4.1Å; I140-F142 HydrophobicContact CG2-CD2 3.95Å; I140-F142 HydrophobicContact CG2-CE1 3.79Å; I140-F142 HydrophobicContact CG2-CE2 3.64Å; I140-F142 HydrophobicContact CG2-CG 4.16Å; I140-F142 HydrophobicContact CG2-CZ 3.55Å; I140-F142 PolarHBondContact O-N 2.94Å; I140-F142 VanDerWaalsContact O-N 3.16Å; F142-I154 HydrophobicContact CB-CB 4.45Å; F142-I154 HydrophobicContact CB-CD1 4.08Å; F142-I154 HydrophobicContact CD1-CB 4.22Å; F142-I154 HydrophobicContact CD1-CD1 3.73Å; F142-I154 HydrophobicContact CD1-CG1 3.78Å; F142-I154 HydrophobicContact CD2-CD1 4.29Å; F142-I154 HydrophobicContact CE1-CD1 4.25Å; F142-I154 HydrophobicContact CE1-CG1 4.28Å; F142-I154 HydrophobicContact CG-CD1 3.77Å; F142-I154 HydrophobicContact CG-CG1 4.28Å; F142-Q155 WeakPolarHBondContact CA-O 3.41Å; F142-V171 HydrophobicContact CE1-CB 4.42Å; F142-L173 HydrophobicContact CD1-CD1 4.43Å; F142-L173 HydrophobicContact CE1-CD1 3.44Å; F142-L173 VanDerWaalsContact CE1-CD1 3.44Å; F142-L173 HydrophobicContact CZ-CD1 3.64Å
143E96.6Very high96Very high120 Ų12070.1 Ų70.156%0.56137%0.369SS*.EExtended strand (participates in β ladder)trans-118.6143.2172.5-62-175.6169.200110.5S145 I154 Q155E143-S145 PolarHBondContact O-N 3.09Å; E143-I154 WeakPolarHBondContact O-CA 3.12Å; E143-Q155 PolarHBondContact N-O 2.99Å; E143-Q155 PolarHBondContact O-N 3.14Å
144S95.5Very high96.3Very high117 Ų11767.9 Ų67.982%0.81836%0.36SS*.EExtended strand (participates in β ladder)trans-64.2134.9173-67.30000110.7
145S95.8Very high96.6Very high14 Ų1466.7 Ų66.710%0.09835%0.351CS..EExtended strand (participates in β ladder)trans-121.3163.1176.1-67.90000110.4E143 D147 H153 Q155E143-S145 PolarHBondContact O-N 3.09Å; S145-D147 PolarHBondContact O-N 3.29Å; S145-H153 WeakPolarHBondContact CB-CE1 3.22Å; S145-H153 WeakPolarHBondContact CB-ND1 3.36Å; S145-H153 PolarHBondContact N-O 2.76Å; S145-Q155 VanDerWaalsContact OG-CD 3.3Å; S145-Q155 WeakPolarHBondContact OG-CG 3.07Å; S145-Q155 PolarHBondContact OG-NE2 3.44Å
146P97.1Very high96.8Very high113 Ų11364.8 Ų64.873%0.73434%0.34SS*.EExtended strand (participates in β ladder)trans-58.4129.4179.2-24.734.8000112
147D97.7Very high97Very high88 Ų8863.7 Ų63.747%0.47134%0.336SS..EExtended strand (participates in β ladder)trans-49.8145.1173.1-69.1-14.7000111.3S145 G151 R152S145-D147 PolarHBondContact O-N 3.29Å; D147-G151 CarbonylContact C-O 3.45Å; D147-G151 VanDerWaalsContact CA-O 3.25Å; D147-G151 WeakPolarHBondContact CA-O 3.41Å; D147-G151 VanDerWaalsContact CB-O 3.31Å; D147-G151 WeakPolarHBondContact CB-O 3.34Å; D147-R152 WeakPolarHBondContact OD1-CD 3.5Å; D147-R152 IonicContact OD1-NH1 3.68Å; D147-R152 PolarHBondContact OD1-NH1 2.71Å; D147-R152 IonicContact OD2-CZ 3.74Å; D147-R152 IonicContact OD2-NH1 2.75Å; D147-R152 PolarHBondContact OD2-NH1 3.14Å
148Y98.2Very high97Very high49 Ų4962.6 Ų62.619%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-126.7114.2-176.6-173.3-106.8000111G150 G151 I174 K207 Y210 D211Y148-G150 PolarHBondContact O-N 2.89Å; Y148-G151 PolarHBondContact N-O 3.28Å; Y148-G151 WeakPolarHBondContact O-CA 3.34Å; Y148-G151 PolarHBondContact O-N 3.09Å; Y148-I174 HydrophobicContact CD1-CD1 4.36Å; Y148-K207 HydrophobicContact CD1-CB 4.47Å; Y148-K207 HydrophobicContact CD1-CG 3.97Å; Y148-K207 HydrophobicContact CD2-CD 4.05Å; Y148-K207 HydrophobicContact CD2-CG 4.18Å; Y148-K207 HydrophobicContact CE1-CB 3.89Å; Y148-K207 HydrophobicContact CE1-CD 4.43Å; Y148-K207 HydrophobicContact CE1-CG 3.8Å; Y148-K207 HydrophobicContact CE2-CD 3.75Å; Y148-K207 HydrophobicContact CE2-CG 4.02Å; Y148-K207 HydrophobicContact CG-CG 4.15Å; Y148-Y210 AromaticContact CD1-CD1 3.86Å; Y148-Y210 HydrophobicContact CD1-CD1 3.86Å; Y148-Y210 HydrophobicContact CE1-CD1 4.32Å; Y148-Y210 WeakPolarHBondContact O-CE1 3.22Å; Y148-D211 VanDerWaalsContact CE1-OD1 3.31Å; Y148-D211 WeakPolarHBondContact CE1-OD1 3.32Å; Y148-D211 PolarHBondContact OH-OD1 3.29Å; Y148-D211 PolarHBondContact OH-OD2 3.35Å
149K97.2Very high97Very high124 Ų12460.7 Ų60.754%0.53933%0.333SS..THydrogen-bonded Turntrans47.245.1179.4-65.5-177.3179170.60113.5G151 Y210 D211 L214K149-G151 VanDerWaalsContact C-N 3.26Å; K149-G151 PolarHBondContact O-N 3.15Å; K149-Y210 HydrophobicContact CB-CE1 4.41Å; K149-D211 VanDerWaalsContact CD-OD1 3.27Å; K149-D211 WeakPolarHBondContact CD-OD1 3.22Å; K149-D211 WeakPolarHBondContact CE-OD1 3.2Å; K149-D211 IonicContact NZ-OD1 3.65Å; K149-D211 PolarHBondContact NZ-OD1 3.18Å; K149-D211 IonicContact NZ-OD2 2.75Å; K149-D211 PolarHBondContact NZ-OD2 3.12Å; K149-L214 HydrophobicContact CB-CD1 4.02Å; K149-L214 HydrophobicContact CD-CD1 4.32Å
150G95.5Very high96.9Very high59 Ų5965.9 Ų65.961%0.60836%0.355SS*.THydrogen-bonded Turntrans81.6-4.7-179.300000115.1Y148 P177Y148-G150 PolarHBondContact O-N 2.89Å; G150-P177 VanDerWaalsContact O-CD 3.27Å; G150-P177 WeakPolarHBondContact O-CD 3.31Å
151G97.9Very high96.8Very high0 Ų066.5 Ų66.50%036%0.361CS..EExtended strand (participates in β ladder)trans-85.8145.6169.900000112.4D147 Y148 K149 W175 Y210D147-G151 CarbonylContact C-O 3.45Å; D147-G151 VanDerWaalsContact CA-O 3.25Å; D147-G151 WeakPolarHBondContact CA-O 3.41Å; D147-G151 VanDerWaalsContact CB-O 3.31Å; D147-G151 WeakPolarHBondContact CB-O 3.34Å; Y148-G151 PolarHBondContact N-O 3.28Å; Y148-G151 WeakPolarHBondContact O-CA 3.34Å; Y148-G151 PolarHBondContact O-N 3.09Å; K149-G151 VanDerWaalsContact C-N 3.26Å; K149-G151 PolarHBondContact O-N 3.15Å; G151-W175 CarbonylContact C-O 3.44Å; G151-W175 WeakPolarHBondContact CA-O 3.27Å; G151-Y210 VanDerWaalsContact CA-OH 3.22Å; G151-Y210 WeakPolarHBondContact CA-OH 3.4Å; G151-Y210 PolarHBondContact N-OH 2.62Å
152R98.3Very high96.9Very high120 Ų12060.1 Ų60.145%0.45333%0.331SS..EExtended strand (participates in β ladder)trans-75.7148.7168.1-63.9-55.6-174179.9-3.4109.8D147 I174 W175 P177D147-R152 WeakPolarHBondContact OD1-CD 3.5Å; D147-R152 IonicContact OD1-NH1 3.68Å; D147-R152 PolarHBondContact OD1-NH1 2.71Å; D147-R152 IonicContact OD2-CZ 3.74Å; D147-R152 IonicContact OD2-NH1 2.75Å; D147-R152 PolarHBondContact OD2-NH1 3.14Å; R152-I174 VanDerWaalsContact O-CA 3.26Å; R152-I174 WeakPolarHBondContact O-CA 3.46Å; R152-W175 HydrophobicContact CB-CD2 3.78Å; R152-W175 VanDerWaalsContact CB-CE2 3.5Å; R152-W175 HydrophobicContact CB-CE3 3.88Å; R152-W175 HydrophobicContact CB-CH2 3.49Å; R152-W175 VanDerWaalsContact CB-CH2 3.49Å; R152-W175 HydrophobicContact CB-CZ2 3.37Å; R152-W175 HydrophobicContact CB-CZ3 3.73Å; R152-W175 HydrophobicContact CG-CH2 4.4Å; R152-W175 HydrophobicContact CG-CZ2 3.87Å; R152-W175 PolarHBondContact N-O 3.29Å; R152-W175 PolarHBondContact O-N 3.02Å; R152-P177 HydrophobicContact CG-CG 4.17Å
153H98.4Very high96.7Very high9 Ų961.2 Ų61.24%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-132.9125.8-179.4-178.2-151.2000111.1S145 H172 L173 I174 L203S145-H153 WeakPolarHBondContact CB-CE1 3.22Å; S145-H153 WeakPolarHBondContact CB-ND1 3.36Å; S145-H153 PolarHBondContact N-O 2.76Å; H153-H172 AromaticContact CE1-ND1 3.95Å; H153-H172 AromaticContact NE2-ND1 3.47Å; H153-H172 PolarHBondContact NE2-ND1 2.82Å; H153-L173 WeakPolarHBondContact CA-O 3.37Å; H153-L173 PolarHBondContact CD2-O 3.13Å; H153-L173 VanDerWaalsContact CD2-O 3.3Å; H153-I174 HydrophobicContact CB-CG1 4.3Å; H153-L203 WeakPolarHBondContact CE1-CD1 3.48Å
154I98.3Very high96.5Very high9 Ų960.2 Ų60.25%0.04634%0.339CS..EExtended strand (participates in β ladder)trans-123.3153.7164.365.9179.4000110.1P135 F142 E143 L173 W175P135-I154 HydrophobicContact CB-CD1 4.24Å; F142-I154 HydrophobicContact CB-CB 4.45Å; F142-I154 HydrophobicContact CB-CD1 4.08Å; F142-I154 HydrophobicContact CD1-CB 4.22Å; F142-I154 HydrophobicContact CD1-CD1 3.73Å; F142-I154 HydrophobicContact CD1-CG1 3.78Å; F142-I154 HydrophobicContact CD2-CD1 4.29Å; F142-I154 HydrophobicContact CE1-CD1 4.25Å; F142-I154 HydrophobicContact CE1-CG1 4.28Å; F142-I154 HydrophobicContact CG-CD1 3.77Å; F142-I154 HydrophobicContact CG-CG1 4.28Å; E143-I154 WeakPolarHBondContact O-CA 3.12Å; I154-L173 HydrophobicContact CD1-CB 4.44Å; I154-L173 HydrophobicContact CD1-CD2 4.32Å; I154-L173 HydrophobicContact CG1-CB 3.82Å; I154-L173 HydrophobicContact CG1-CD1 4.28Å; I154-L173 HydrophobicContact CG1-CG 4.45Å; I154-L173 PolarHBondContact N-O 2.97Å; I154-L173 VanDerWaalsContact N-O 3.08Å; I154-L173 PolarHBondContact O-N 3.31Å; I154-W175 HydrophobicContact CB-CZ3 4.49Å; I154-W175 HydrophobicContact CD1-CZ3 4.41Å; I154-W175 HydrophobicContact CG1-CZ3 4.01Å; I154-W175 HydrophobicContact CG2-CH2 3.96Å; I154-W175 HydrophobicContact CG2-CZ3 4.09Å
155Q98Very high96.3Very high65 Ų6558.7 Ų58.730%0.30434%0.343SS..EExtended strand (participates in β ladder)trans-142151.9173.770.8-171.5-14.400110.4F142 E143 S145 V171 H172F142-Q155 WeakPolarHBondContact CA-O 3.41Å; E143-Q155 PolarHBondContact N-O 2.99Å; E143-Q155 PolarHBondContact O-N 3.14Å; S145-Q155 VanDerWaalsContact OG-CD 3.3Å; S145-Q155 WeakPolarHBondContact OG-CG 3.07Å; S145-Q155 PolarHBondContact OG-NE2 3.44Å; Q155-V171 CarbonylContact C-O 3.47Å; Q155-V171 VanDerWaalsContact CA-O 3.27Å; Q155-V171 WeakPolarHBondContact CA-O 3.27Å; Q155-H172 PolarHBondContact OE1-CE1 3.37Å; Q155-H172 PolarHBondContact OE1-ND1 3.39Å
156G97.4Very high96.1Very high9 Ų959 Ų599%0.09335%0.348CS..EExtended strand (participates in β ladder)trans-161.8174.6177.800000111.5Q141 T170 V171Q141-G156 VanDerWaalsContact O-CA 3.28Å; Q141-G156 WeakPolarHBondContact O-CA 3.47Å; G156-T170 CarbonylContact O-C 3.49Å; G156-T170 WeakPolarHBondContact O-CA 3.42Å; G156-T170 WeakPolarHBondContact O-CG2 3.31Å; G156-V171 PolarHBondContact N-O 3.48Å; G156-V171 PolarHBondContact O-N 3.49Å
157Q96.5Very high95.8Very high105 Ų10558.2 Ų58.249%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-127.3147.2175.7-168.7175.92100108.6C168 P169Q157-C168 HydrophobicContact CG-CB 3.6Å; Q157-C168 WeakPolarHBondContact CG-O 3.49Å; Q157-C168 PolarHBondContact NE2-O 3.24Å; Q157-P169 WeakPolarHBondContact CA-O 3.27Å; Q157-P169 WeakPolarHBondContact CG-O 3.29Å
158T96.9Very high95.7Very high5 Ų555.5 Ų55.53%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-61.8145.6175.563.60000110.7V44 Y45 N46 A55 D139 I140 C168 P169V44-T158 HydrophobicContact CG1-CG2 3.8Å; Y45-T158 WeakPolarHBondContact O-CG2 3.39Å; Y45-T158 PolarHBondContact O-OG1 2.97Å; N46-T158 HydrophobicContact CB-CG2 4.43Å; A55-T158 HydrophobicContact CB-CG2 3.92Å; D139-T158 CarbonylContact O-C 3.57Å; D139-T158 WeakPolarHBondContact O-CA 3.31Å; I140-T158 HydrophobicContact CD1-CG2 4.45Å; I140-T158 HydrophobicContact CG1-CG2 4.03Å; T158-C168 VanDerWaalsContact O-CB 3.29Å; T158-C168 WeakPolarHBondContact O-CB 3.29Å; T158-C168 PolarHBondContact O-SG 3.26Å; T158-C168 WeakPolarHBondContact OG1-CA 3.34Å; T158-C168 WeakPolarHBondContact OG1-CB 3.3Å; T158-P169 PolarHBondContact N-O 2.84Å; T158-P169 VanDerWaalsContact OG1-CD 3.28Å; T158-P169 WeakPolarHBondContact OG1-CD 3.35Å
159A95.6Very high95.4Very high72 Ų7254.7 Ų54.760%0.59533%0.333SS*.SBendtrans-71.6-33.5-171.900000113.1N46 D139N46-A159 PolarHBondContact OD1-N 2.86Å; N46-A159 VanDerWaalsContact OD1-N 3.12Å; D139-A159 PolarHBondContact O-N 3.46Å
160K96.1Very high95.4Very high115 Ų11551.3 Ų51.350%0.532%0.323SS..  trans-136.8140.3-176.1-64.6-177.9-178.31790111.2N46 G47N46-K160 PolarHBondContact OD1-N 2.93Å; N46-K160 PolarHBondContact OD1-O 3.26Å; G47-K160 PolarHBondContact N-O 2.83Å
161A95.5Very high95.5Very high16 Ų1648.5 Ų48.513%0.13229%0.294CS..  trans-87.8158.3172.100000111.2G47 E48 F163 G166 C168G47-A161 CarbonylContact C-O 3.59Å; G47-A161 CarbonylContact O-C 3.58Å; E48-A161 WeakPolarHBondContact CA-O 3.36Å; A161-F163 PolarHBondContact O-N 3.13Å; A161-F163 VanDerWaalsContact O-N 3.1Å; A161-G166 WeakPolarHBondContact CB-O 3.26Å; A161-C168 PolarHBondContact N-SG 2.97Å; A161-C168 VanDerWaalsContact N-SG 3.42Å
162E94.8Very high95.5Very high22 Ų2249.1 Ų49.110%0.10330%0.297CS..SBendtrans-57.8-25.8-178.8-64.1-177.6-155.600114.5G47 A49 A346 V347 S348G47-E162 WeakPolarHBondContact O-CA 3.22Å; G47-E162 PolarHBondContact O-N 3Å; A49-E162 PolarHBondContact N-O 3.3Å; E162-A346 VanDerWaalsContact CD-CB 3.49Å; E162-A346 HydrophobicContact CG-CB 4.48Å; E162-A346 VanDerWaalsContact OE1-CB 3.32Å; E162-A346 WeakPolarHBondContact OE1-CB 3.47Å; E162-V347 WeakPolarHBondContact OE1-CA 3.39Å; E162-V347 WeakPolarHBondContact OE1-CB 3.38Å; E162-V347 WeakPolarHBondContact OE1-CG2 3.39Å; E162-V347 PolarHBondContact OE1-N 3.12Å; E162-V347 PolarHBondContact OE2-N 3.26Å; E162-S348 WeakPolarHBondContact OE2-CB 3.25Å; E162-S348 PolarHBondContact OE2-N 2.97Å; E162-S348 PolarHBondContact OE2-OG 3.14Å
163F93.4Very high95.5Very high54 Ų5443.4 Ų43.424%0.23728%0.276CS..SBendtrans-151.3161177.961.4-91.6000110.6A161 G165 G166A161-F163 PolarHBondContact O-N 3.13Å; A161-F163 VanDerWaalsContact O-N 3.1Å; F163-G165 PolarHBondContact O-N 3.05Å; F163-G165 VanDerWaalsContact O-N 3.13Å; F163-G166 PolarHBondContact O-N 3.27Å
164P93.2Very high95.5Very high99 Ų9943 Ų4364%0.64327%0.274SS*.THydrogen-bonded Turntrans-57.4119.3179.6-27.736.9000112.4E48E48-P164 VanDerWaalsContact OE1-CD 3.26Å; E48-P164 WeakPolarHBondContact OE1-CD 3.29Å; E48-P164 VanDerWaalsContact OE1-CG 3.22Å; E48-P164 WeakPolarHBondContact OE1-CG 3.14Å
165G90.3Very high95.5Very high86 Ų8643.7 Ų43.789%0.88728%0.276SS*.THydrogen-bonded Turntrans83.95.3-177.100000115.3F163F163-G165 PolarHBondContact O-N 3.05Å; F163-G165 VanDerWaalsContact O-N 3.13Å
166G92Very high95.5Very high21 Ų2141.9 Ų41.922%0.21627%0.269CS..PPolyproline II helixtrans-69.2172.3170.600000113A161 F163A161-G166 WeakPolarHBondContact CB-O 3.26Å; F163-G166 PolarHBondContact O-N 3.27Å
167S90.9Very high95.5Very high96 Ų9644.1 Ų44.167%0.67128%0.282SS*.PPolyproline II helixtrans-81.9138.1176.755.40000111.8
168C94.4Very high95.5Very high31 Ų3140.8 Ų40.821%0.20927%0.269CS..PPolyproline II helixtrans-95.8116.3162.6-63.70000109.3Q157 T158 A161Q157-C168 HydrophobicContact CG-CB 3.6Å; Q157-C168 WeakPolarHBondContact CG-O 3.49Å; Q157-C168 PolarHBondContact NE2-O 3.24Å; T158-C168 VanDerWaalsContact O-CB 3.29Å; T158-C168 WeakPolarHBondContact O-CB 3.29Å; T158-C168 PolarHBondContact O-SG 3.26Å; T158-C168 WeakPolarHBondContact OG1-CA 3.34Å; T158-C168 WeakPolarHBondContact OG1-CB 3.3Å; A161-C168 PolarHBondContact N-SG 2.97Å; A161-C168 VanDerWaalsContact N-SG 3.42Å
169P93.4Very high95.5Very high31 Ų3143.3 Ų43.320%0.20129%0.285CS..PPolyproline II helixtrans-60.4141.3178.2-27.336.8000113.3V44 Q157 T158V44-P169 HydrophobicContact CG1-CB 4.29Å; Q157-P169 WeakPolarHBondContact CA-O 3.27Å; Q157-P169 WeakPolarHBondContact CG-O 3.29Å; T158-P169 PolarHBondContact N-O 2.84Å; T158-P169 VanDerWaalsContact OG1-CD 3.28Å; T158-P169 WeakPolarHBondContact OG1-CD 3.35Å
170T96Very high95.5Very high53 Ų5344.2 Ų44.233%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-90.7143.8170.6-57.90000109.6G156 N201G156-T170 CarbonylContact O-C 3.49Å; G156-T170 WeakPolarHBondContact O-CA 3.42Å; G156-T170 WeakPolarHBondContact O-CG2 3.31Å; T170-N201 VanDerWaalsContact O-CA 3.29Å; T170-N201 WeakPolarHBondContact O-CA 3.19Å
171V97.8Very high95.6Very high0 Ų041.5 Ų41.50%028%0.28CS..EExtended strand (participates in β ladder)trans-130.8131.1177.5-171.50000109.6V44 I57 I140 F142 Q155 G156 L173 V199V44-V171 HydrophobicContact CG1-CG2 3.73Å; V44-V171 HydrophobicContact CG2-CG2 4.18Å; I57-V171 HydrophobicContact CD1-CG1 4.01Å; I140-V171 HydrophobicContact CD1-CB 4.37Å; I140-V171 HydrophobicContact CD1-CG2 3.88Å; F142-V171 HydrophobicContact CE1-CB 4.42Å; Q155-V171 CarbonylContact C-O 3.47Å; Q155-V171 VanDerWaalsContact CA-O 3.27Å; Q155-V171 WeakPolarHBondContact CA-O 3.27Å; G156-V171 PolarHBondContact N-O 3.48Å; G156-V171 PolarHBondContact O-N 3.49Å; V171-L173 HydrophobicContact CG1-CD1 3.72Å; V171-V199 HydrophobicContact CG1-CG1 3.62Å
172H98.4Very high95.6Very high13 Ų1340.9 Ų40.96%0.0628%0.275CS..EExtended strand (participates in β ladder)trans-115.5133.4172.9-62.5-101.9000109.7H153 Q155 V199 A200 L203 A206H153-H172 AromaticContact CE1-ND1 3.95Å; H153-H172 AromaticContact NE2-ND1 3.47Å; H153-H172 PolarHBondContact NE2-ND1 2.82Å; Q155-H172 PolarHBondContact OE1-CE1 3.37Å; Q155-H172 PolarHBondContact OE1-ND1 3.39Å; H172-V199 WeakPolarHBondContact O-CA 3.25Å; H172-A200 PolarHBondContact N-O 2.79Å; H172-A200 PolarHBondContact O-N 3.32Å; H172-L203 PolarHBondContact CD2-N 2.96Å; H172-L203 PolarHBondContact NE2-N 3.5Å; H172-A206 HydrophobicContact CB-CB 3.87Å
173L98.6Very high95.6Very high0 Ų042.1 Ų42.10%029%0.286CS..EExtended strand (participates in β ladder)trans-118.1122.6173.9-73.878.7000109.6I57 P58 F142 H153 I154 V171 W175 L197 V198 V199I57-L173 HydrophobicContact CG2-CD1 4Å; I57-L173 HydrophobicContact CG2-CD2 3.82Å; I57-L173 HydrophobicContact CG2-CG 4.29Å; P58-L173 WeakPolarHBondContact O-CD2 3.41Å; F142-L173 HydrophobicContact CD1-CD1 4.43Å; F142-L173 HydrophobicContact CE1-CD1 3.44Å; F142-L173 VanDerWaalsContact CE1-CD1 3.44Å; F142-L173 HydrophobicContact CZ-CD1 3.64Å; H153-L173 WeakPolarHBondContact CA-O 3.37Å; H153-L173 PolarHBondContact CD2-O 3.13Å; H153-L173 VanDerWaalsContact CD2-O 3.3Å; I154-L173 HydrophobicContact CD1-CB 4.44Å; I154-L173 HydrophobicContact CD1-CD2 4.32Å; I154-L173 HydrophobicContact CG1-CB 3.82Å; I154-L173 HydrophobicContact CG1-CD1 4.28Å; I154-L173 HydrophobicContact CG1-CG 4.45Å; I154-L173 PolarHBondContact N-O 2.97Å; I154-L173 VanDerWaalsContact N-O 3.08Å; I154-L173 PolarHBondContact O-N 3.31Å; V171-L173 HydrophobicContact CG1-CD1 3.72Å; L173-W175 HydrophobicContact CB-CE3 4.34Å; L173-W175 HydrophobicContact CB-CZ3 4.46Å; L173-L197 HydrophobicContact CB-CD1 4.23Å; L173-L197 HydrophobicContact CD2-CD1 4.13Å; L173-L197 HydrophobicContact CG-CD1 4.32Å; L173-V198 CarbonylContact C-O 3.45Å; L173-V198 VanDerWaalsContact CA-O 3.28Å; L173-V198 WeakPolarHBondContact CA-O 3.5Å; L173-V199 HydrophobicContact CD1-CG1 4.44Å; L173-V199 HydrophobicContact CG-CG1 4.43Å; L173-V199 HydrophobicContact CG-CG2 4.18Å
174I98.8Very high95.7Very high0 Ų039.6 Ų39.60%028%0.275CS..EExtended strand (participates in β ladder)trans-120.8123.7170.2-53.8178.7000108.6Y148 R152 H153 V198 A206 K207 Y210Y148-I174 HydrophobicContact CD1-CD1 4.36Å; R152-I174 VanDerWaalsContact O-CA 3.26Å; R152-I174 WeakPolarHBondContact O-CA 3.46Å; H153-I174 HydrophobicContact CB-CG1 4.3Å; I174-V198 PolarHBondContact N-O 3.16Å; I174-V198 PolarHBondContact O-N 3.45Å; I174-A206 HydrophobicContact CD1-CB 3.84Å; I174-A206 HydrophobicContact CG1-CB 4.22Å; I174-K207 HydrophobicContact CD1-CG 3.99Å; I174-Y210 HydrophobicContact CB-CD2 4.09Å; I174-Y210 HydrophobicContact CB-CG 4.27Å; I174-Y210 HydrophobicContact CG2-CD1 3.87Å; I174-Y210 HydrophobicContact CG2-CD2 3.56Å; I174-Y210 HydrophobicContact CG2-CE1 4.05Å; I174-Y210 HydrophobicContact CG2-CE2 3.79Å; I174-Y210 HydrophobicContact CG2-CG 3.61Å
175W98.5Very high95.8Very high24 Ų2436.4 Ų36.49%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-139.8151.1-177.874.5101.9000114.1P60 F133 G151 R152 I154 L173 I196 L197P60-W175 HydrophobicContact CB-CB 4.33Å; P60-W175 HydrophobicContact CB-CD2 4.01Å; P60-W175 HydrophobicContact CB-CG 3.68Å; P60-W175 HydrophobicContact CG-CB 4.22Å; P60-W175 HydrophobicContact CG-CD2 3.59Å; P60-W175 HydrophobicContact CG-CE3 4.11Å; P60-W175 HydrophobicContact CG-CG 3.65Å; P60-W175 HydrophobicContact CG-CZ2 4.43Å; F133-W175 HydrophobicContact CE1-CH2 4.34Å; F133-W175 AromaticContact CE1-CZ2 3.7Å; F133-W175 HydrophobicContact CE1-CZ2 3.7Å; F133-W175 HydrophobicContact CZ-CH2 4.22Å; F133-W175 AromaticContact CZ-CZ2 3.94Å; F133-W175 HydrophobicContact CZ-CZ2 3.94Å; G151-W175 CarbonylContact C-O 3.44Å; G151-W175 WeakPolarHBondContact CA-O 3.27Å; R152-W175 HydrophobicContact CB-CD2 3.78Å; R152-W175 VanDerWaalsContact CB-CE2 3.5Å; R152-W175 HydrophobicContact CB-CE3 3.88Å; R152-W175 HydrophobicContact CB-CH2 3.49Å; R152-W175 VanDerWaalsContact CB-CH2 3.49Å; R152-W175 HydrophobicContact CB-CZ2 3.37Å; R152-W175 HydrophobicContact CB-CZ3 3.73Å; R152-W175 HydrophobicContact CG-CH2 4.4Å; R152-W175 HydrophobicContact CG-CZ2 3.87Å; R152-W175 PolarHBondContact N-O 3.29Å; R152-W175 PolarHBondContact O-N 3.02Å; I154-W175 HydrophobicContact CB-CZ3 4.49Å; I154-W175 HydrophobicContact CD1-CZ3 4.41Å; I154-W175 HydrophobicContact CG1-CZ3 4.01Å; I154-W175 HydrophobicContact CG2-CH2 3.96Å; I154-W175 HydrophobicContact CG2-CZ3 4.09Å; L173-W175 HydrophobicContact CB-CE3 4.34Å; L173-W175 HydrophobicContact CB-CZ3 4.46Å; W175-I196 CarbonylContact C-O 3.52Å; W175-I196 VanDerWaalsContact CA-O 3.23Å; W175-I196 WeakPolarHBondContact CA-O 3.36Å; W175-L197 HydrophobicContact CB-CB 4.13Å; W175-L197 HydrophobicContact CB-CD1 3.83Å
176T97.9Very high95.9Very high28 Ų2834.8 Ų34.817%0.17223%0.228CC..PPolyproline II helixtrans-70.4124.8170-49.20000109.5V178 F195 I196 Y210T176-V178 PolarHBondContact O-N 3.43Å; T176-F195 HydrophobicContact CG2-CD1 4.02Å; T176-I196 PolarHBondContact N-O 3.47Å; T176-I196 WeakPolarHBondContact OG1-CG1 3.48Å; T176-I196 PolarHBondContact OG1-N 3.38Å; T176-Y210 PolarHBondContact OG1-OH 2.95Å
177P96.5Very high95.9Very high56 Ų5640.8 Ų40.836%0.36425%0.251SS..PPolyproline II helixtrans-56127.3177.6-20.627.7000112G150 R152G150-P177 VanDerWaalsContact O-CD 3.27Å; G150-P177 WeakPolarHBondContact O-CD 3.31Å; R152-P177 HydrophobicContact CG-CG 4.17Å
178V96.7Very high96Very high35 Ų3540 Ų4021%0.21224%0.237CC..PPolyproline II helixtrans-88.2117.1174.5-177.70000108.4L61 A63 M111 L129 T176 F195L61-V178 HydrophobicContact CD2-CG2 3.87Å; A63-V178 HydrophobicContact CB-CG1 4.36Å; M111-V178 HydrophobicContact CE-CB 4.44Å; M111-V178 HydrophobicContact CE-CG1 3.72Å; M111-V178 HydrophobicContact CE-CG2 3.78Å; L129-V178 HydrophobicContact CB-CG1 4.24Å; L129-V178 HydrophobicContact CD1-CG1 3.79Å; T176-V178 PolarHBondContact O-N 3.43Å; V178-F195 HydrophobicContact CG2-CB 4.35Å; V178-F195 HydrophobicContact CG2-CD1 4.05Å; V178-F195 HydrophobicContact CG2-CG 4.19Å
179P96.8Very high96Very high57 Ų5743.7 Ų43.737%0.3726%0.258SS..PPolyproline II helixtrans-72.4161.6177.232.3-35.5000110.6L129 T181 V182 F195L129-P179 WeakPolarHBondContact CB-O 3.47Å; L129-P179 HydrophobicContact CD1-CG 4.28Å; P179-T181 PolarHBondContact O-N 3.05Å; P179-V182 HydrophobicContact CG-CG1 4.32Å; P179-F195 VanDerWaalsContact CD-CE1 3.41Å; P179-F195 HydrophobicContact CG-CE1 4.39Å; P179-F195 HydrophobicContact CG-CZ 4.29Å
180S96.3Very high96.2Very high91 Ų9148.7 Ų48.764%0.63628%0.277SS*.SBendtrans-69.3-19.5175.357.80000113.6L129L129-S180 PolarHBondContact N-O 2.91Å
181T96.8Very high96.2Very high58 Ų5846.9 Ų46.936%0.35627%0.267SS..EExtended strand (participates in β ladder)trans-147147.5-178.359.30000111.2V126 V127 N128 P179V126-T181 HydrophobicContact CG1-CG2 3.91Å; V127-T181 WeakPolarHBondContact O-CA 3.45Å; N128-T181 WeakPolarHBondContact OD1-CG2 3.22Å; P179-T181 PolarHBondContact O-N 3.05Å
182V96.6Very high96.1Very high3 Ų353.5 Ų53.52%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-113.7142.9162.2-70.90000109.4V113 L115 V126 V127 L129 P179 W193V113-V182 HydrophobicContact CG1-CG2 4.08Å; L115-V182 HydrophobicContact CD1-CB 4.44Å; L115-V182 HydrophobicContact CD1-CG2 3.84Å; L115-V182 HydrophobicContact CG-CG2 4.39Å; V126-V182 WeakPolarHBondContact CA-O 3.1Å; V127-V182 HydrophobicContact CB-CG2 4.13Å; V127-V182 PolarHBondContact N-O 2.88Å; V127-V182 PolarHBondContact O-N 3.09Å; L129-V182 HydrophobicContact CD1-CG1 3.84Å; P179-V182 HydrophobicContact CG-CG1 4.32Å; V182-W193 HydrophobicContact CB-CD2 3.93Å; V182-W193 HydrophobicContact CB-CE3 4.09Å; V182-W193 HydrophobicContact CB-CH2 4.19Å; V182-W193 HydrophobicContact CB-CZ2 4.04Å; V182-W193 HydrophobicContact CB-CZ3 4.25Å; V182-W193 HydrophobicContact CG1-CB 4.44Å; V182-W193 HydrophobicContact CG1-CD2 3.76Å; V182-W193 HydrophobicContact CG1-CE3 4.25Å; V182-W193 HydrophobicContact CG1-CG 3.84Å; V182-W193 HydrophobicContact CG2-CE3 4.4Å; V182-W193 HydrophobicContact CG2-CZ3 4.46Å
183S95.3Very high96.1Very high49 Ų4956 Ų5634%0.34330%0.301SS..EExtended strand (participates in β ladder)trans-130.6127.4-172.6176.50000110.8V125 P185 W193V125-S183 CarbonylContact O-C 3.49Å; V125-S183 WeakPolarHBondContact O-CA 3.46Å; S183-P185 WeakPolarHBondContact O-CD 3.39Å; S183-W193 WeakPolarHBondContact O-CZ2 3.32Å
184L95.1Very high96Very high0 Ų057 Ų570%031%0.311CS..EExtended strand (participates in β ladder)trans-96.6110.7173.1-176.967000109.5L115 R117 P124 V125 Q188 A191L115-L184 HydrophobicContact CB-CB 4.41Å; L115-L184 HydrophobicContact CB-CD2 4.33Å; L115-L184 HydrophobicContact CD1-CB 4.24Å; R117-L184 HydrophobicContact CB-CD2 3.79Å; R117-L184 PolarHBondContact NH2-O 3.44Å; R117-L184 VanDerWaalsContact NH2-O 3.1Å; P124-L184 WeakPolarHBondContact CA-O 3.29Å; V125-L184 HydrophobicContact CB-CB 4.36Å; V125-L184 PolarHBondContact N-O 3.12Å; V125-L184 PolarHBondContact O-N 3.41Å; L184-Q188 HydrophobicContact CD1-CB 3.54Å; L184-Q188 HydrophobicContact CG-CB 4.3Å; L184-A191 HydrophobicContact CD1-CB 3.53Å
185P94.6Very high96Very high33 Ų3357.5 Ų57.521%0.21431%0.313CS..  trans-60.9156.7179.6-24.535.3000113.4R117 S183 E187 Q188R117-P185 VanDerWaalsContact NH2-C 3.29Å; R117-P185 PolarHBondContact NH2-O 3.05Å; S183-P185 WeakPolarHBondContact O-CD 3.39Å; P185-E187 HydrophobicContact CB-CG 4.37Å; P185-E187 WeakPolarHBondContact CB-OE1 3.11Å; P185-E187 WeakPolarHBondContact CB-OE2 3.25Å; P185-E187 PolarHBondContact O-N 2.93Å; P185-Q188 PolarHBondContact O-N 3.23Å; P185-Q188 VanDerWaalsContact O-N 3.08Å
186P92.3Very high96Very high51 Ų5156.3 Ų56.333%0.33131%0.309SS..THydrogen-bonded Turntrans-52.3-38.3178.7-2836.4000114.2E122 Q188E122-P186 WeakPolarHBondContact O-CG 3.37Å; P186-Q188 VanDerWaalsContact C-N 3.27Å; P186-Q188 PolarHBondContact O-N 3.24Å
187E92.1Very high96Very high148 Ų14855 Ų5569%0.69230%0.301SS*.THydrogen-bonded Turntrans-75.6-10-177.965.5-81.3-174.200114.3P185P185-E187 HydrophobicContact CB-CG 4.37Å; P185-E187 WeakPolarHBondContact CB-OE1 3.11Å; P185-E187 WeakPolarHBondContact CB-OE2 3.25Å; P185-E187 PolarHBondContact O-N 2.93Å
188Q93.7Very high96.1Very high80 Ų8052.3 Ų52.337%0.37428%0.283SS..  trans-106.6135.8-179.1-62.3-173.83.400111.6R117 L184 P185 P186R117-Q188 PolarHBondContact NE-O 3.19Å; R117-Q188 VanDerWaalsContact NE-O 3.14Å; L184-Q188 HydrophobicContact CD1-CB 3.54Å; L184-Q188 HydrophobicContact CG-CB 4.3Å; P185-Q188 PolarHBondContact O-N 3.23Å; P185-Q188 VanDerWaalsContact O-N 3.08Å; P186-Q188 VanDerWaalsContact C-N 3.27Å; P186-Q188 PolarHBondContact O-N 3.24Å
189T94.3Very high96.2Very high108 Ų10850.7 Ų50.766%0.66327%0.273SS*.SBendtrans-89.6-25.7174.554.70000112.5R117R117-T189 PolarHBondContact N-O 2.94Å
190K96.5Very high96.2Very high136 Ų13648 Ų4859%0.59126%0.256SS*.EExtended strand (participates in β ladder)trans-153.6150.8175.665-179.4-178178.80111.9L115 E116L115-K190 WeakPolarHBondContact O-CA 3.42Å; L115-K190 WeakPolarHBondContact O-CB 3.38Å; E116-K190 HydrophobicContact CG-CB 4.2Å
191A96.6Very high96.1Very high15 Ų1548.7 Ų48.712%0.12425%0.252CS..EExtended strand (participates in β ladder)trans-148.8150.8171.500000110.5L114 L115 L184 W193L114-A191 WeakPolarHBondContact CD1-O 3.49Å; L115-A191 PolarHBondContact N-O 2.95Å; L115-A191 PolarHBondContact O-N 2.8Å; L115-A191 VanDerWaalsContact O-N 3.07Å; L184-A191 HydrophobicContact CD1-CB 3.53Å; A191-W193 HydrophobicContact CB-CH2 3.45Å; A191-W193 VanDerWaalsContact CB-CH2 3.45Å; A191-W193 HydrophobicContact CB-CZ2 3.98Å; A191-W193 HydrophobicContact CB-CZ3 3.73Å; A191-W193 WeakPolarHBondContact O-CZ3 3.49Å
192R96Very high96Very high139 Ų13948 Ų4853%0.52525%0.25SC..EExtended strand (participates in β ladder)trans-125.4137.6178.5-176.6176.6-66.3-174.72.3110.3E112 V113 L114E112-R192 IonicContact OE1-NH1 3.43Å; E112-R192 PolarHBondContact OE1-NH1 3.33Å; V113-R192 CarbonylContact O-C 3.51Å; V113-R192 VanDerWaalsContact O-CA 3.27Å; V113-R192 WeakPolarHBondContact O-CA 3.38Å; L114-R192 HydrophobicContact CD1-CB 4.35Å
193W97.3Very high96.1Very high66 Ų6650.7 Ų50.725%0.2526%0.264CS..EExtended strand (participates in β ladder)trans-117.7140.3170.8-61-96.4000108.6E112 V113 L115 V182 S183 A191 F195E112-W193 CarbonylContact C-O 3.56Å; E112-W193 WeakPolarHBondContact CA-O 3.49Å; V113-W193 PolarHBondContact N-O 3.04Å; V113-W193 PolarHBondContact O-N 2.83Å; L115-W193 HydrophobicContact CB-CH2 4.41Å; L115-W193 HydrophobicContact CB-CZ3 3.93Å; L115-W193 HydrophobicContact CD1-CH2 3.67Å; L115-W193 HydrophobicContact CD1-CZ3 3.62Å; L115-W193 HydrophobicContact CG-CE3 4.44Å; L115-W193 HydrophobicContact CG-CH2 4.08Å; L115-W193 HydrophobicContact CG-CZ3 3.52Å; V182-W193 HydrophobicContact CB-CD2 3.93Å; V182-W193 HydrophobicContact CB-CE3 4.09Å; V182-W193 HydrophobicContact CB-CH2 4.19Å; V182-W193 HydrophobicContact CB-CZ2 4.04Å; V182-W193 HydrophobicContact CB-CZ3 4.25Å; V182-W193 HydrophobicContact CG1-CB 4.44Å; V182-W193 HydrophobicContact CG1-CD2 3.76Å; V182-W193 HydrophobicContact CG1-CE3 4.25Å; V182-W193 HydrophobicContact CG1-CG 3.84Å; V182-W193 HydrophobicContact CG2-CE3 4.4Å; V182-W193 HydrophobicContact CG2-CZ3 4.46Å; S183-W193 WeakPolarHBondContact O-CZ2 3.32Å; A191-W193 HydrophobicContact CB-CH2 3.45Å; A191-W193 VanDerWaalsContact CB-CH2 3.45Å; A191-W193 HydrophobicContact CB-CZ2 3.98Å; A191-W193 HydrophobicContact CB-CZ3 3.73Å; A191-W193 WeakPolarHBondContact O-CZ3 3.49Å; W193-F195 HydrophobicContact CB-CE2 3.72Å; W193-F195 HydrophobicContact CB-CZ 3.86Å
194G97.1Very high96.2Very high20 Ų2056.2 Ų56.221%0.20628%0.284CS..EExtended strand (participates in β ladder)trans-123.3144172.900000110M111 M217M111-G194 CarbonylContact O-C 3.57Å; G194-M217 VanDerWaalsContact O-CE 3.29Å; G194-M217 WeakPolarHBondContact O-CE 3.34Å
195F98.3Very high96.2Very high10 Ų1057.6 Ų57.64%0.04430%0.296CS..EExtended strand (participates in β ladder)trans-135.2129.6179.1-52.5-85.8000107.6L61 M111 V113 L129 T176 V178 P179 W193L61-F195 HydrophobicContact CD2-CB 3.92Å; M111-F195 HydrophobicContact CB-CB 4.36Å; M111-F195 HydrophobicContact CE-CB 4.1Å; M111-F195 HydrophobicContact CE-CD2 3.32Å; M111-F195 HydrophobicContact CE-CE2 3.85Å; M111-F195 HydrophobicContact CE-CG 3.78Å; M111-F195 HydrophobicContact CG-CD2 4.38Å; M111-F195 PolarHBondContact N-O 3.04Å; M111-F195 PolarHBondContact O-N 3.38Å; V113-F195 HydrophobicContact CG2-CE2 4.38Å; L129-F195 HydrophobicContact CD1-CE2 4.31Å; L129-F195 HydrophobicContact CD1-CZ 4.24Å; T176-F195 HydrophobicContact CG2-CD1 4.02Å; V178-F195 HydrophobicContact CG2-CB 4.35Å; V178-F195 HydrophobicContact CG2-CD1 4.05Å; V178-F195 HydrophobicContact CG2-CG 4.19Å; P179-F195 VanDerWaalsContact CD-CE1 3.41Å; P179-F195 HydrophobicContact CG-CE1 4.39Å; P179-F195 HydrophobicContact CG-CZ 4.29Å; W193-F195 HydrophobicContact CB-CE2 3.72Å; W193-F195 HydrophobicContact CB-CZ 3.86Å
196I98.6Very high96.4Very high0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-117.1144.7177.360.8172.3000110.1I108 L109 V110 W175 T176 Y210 L214 M217 L222I108-I196 HydrophobicContact CG2-CB 4.24Å; I108-I196 HydrophobicContact CG2-CG2 4.22Å; L109-I196 WeakPolarHBondContact O-CA 3.44Å; V110-I196 HydrophobicContact CG2-CG2 4.26Å; W175-I196 CarbonylContact C-O 3.52Å; W175-I196 VanDerWaalsContact CA-O 3.23Å; W175-I196 WeakPolarHBondContact CA-O 3.36Å; T176-I196 PolarHBondContact N-O 3.47Å; T176-I196 WeakPolarHBondContact OG1-CG1 3.48Å; T176-I196 PolarHBondContact OG1-N 3.38Å; I196-Y210 HydrophobicContact CD1-CD2 3.79Å; I196-Y210 HydrophobicContact CD1-CE2 3.78Å; I196-Y210 HydrophobicContact CG1-CD2 4.14Å; I196-Y210 HydrophobicContact CG1-CE2 3.76Å; I196-L214 HydrophobicContact CD1-CD2 4.41Å; I196-M217 HydrophobicContact CG1-SD 4.49Å; I196-M217 HydrophobicContact CG2-SD 3.87Å; I196-L222 HydrophobicContact CG2-CD2 3.82Å
197L98.6Very high96.7Very high0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-120.1130167.1161.868.7000107.6M39 P60 L61 I108 L109 L173 W175 V199M39-L197 HydrophobicContact SD-CD2 3.59Å; M39-L197 VanDerWaalsContact SD-CD2 3.59Å; P60-L197 HydrophobicContact CG-CD1 4.12Å; L61-L197 HydrophobicContact CD1-CB 3.91Å; L61-L197 HydrophobicContact CG-CB 3.95Å; I108-L197 WeakPolarHBondContact CA-O 3.42Å; L109-L197 HydrophobicContact CB-CB 4.19Å; L109-L197 HydrophobicContact CB-CD2 4.35Å; L109-L197 HydrophobicContact CB-CG 4.5Å; L109-L197 HydrophobicContact CD2-CD2 3.87Å; L109-L197 PolarHBondContact N-O 3.04Å; L109-L197 PolarHBondContact O-N 3.43Å; L173-L197 HydrophobicContact CB-CD1 4.23Å; L173-L197 HydrophobicContact CD2-CD1 4.13Å; L173-L197 HydrophobicContact CG-CD1 4.32Å; W175-L197 HydrophobicContact CB-CB 4.13Å; W175-L197 HydrophobicContact CB-CD1 3.83Å; L197-V199 HydrophobicContact CD1-CG2 4.1Å; L197-V199 HydrophobicContact CD2-CG2 4.21Å; L197-V199 HydrophobicContact CG-CG2 3.99Å
198V98.6Very high96.9Very high0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-110.3131172.8172.60000109.5N107 I108 L173 I174 A206 Y210N107-V198 HydrophobicContact CB-CG1 4.31Å; N107-V198 VanDerWaalsContact O-CA 3.28Å; N107-V198 WeakPolarHBondContact O-CA 3.46Å; I108-V198 HydrophobicContact CG1-CG2 4.21Å; L173-V198 CarbonylContact C-O 3.45Å; L173-V198 VanDerWaalsContact CA-O 3.28Å; L173-V198 WeakPolarHBondContact CA-O 3.5Å; I174-V198 PolarHBondContact N-O 3.16Å; I174-V198 PolarHBondContact O-N 3.45Å; V198-A206 HydrophobicContact CG1-CB 4.34Å; V198-A206 WeakPolarHBondContact CG1-O 3.19Å; V198-Y210 HydrophobicContact CG2-CD2 4.02Å
199V97.9Very high97.1Very high0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-124.4126.9172.5-167.70000109.3L30 M39 M41 I57 N107 V171 H172 L173 L197L30-V199 HydrophobicContact CD1-CB 4.42Å; L30-V199 HydrophobicContact CD1-CG2 4.47Å; L30-V199 HydrophobicContact CD2-CB 3.88Å; L30-V199 HydrophobicContact CD2-CG1 4.43Å; L30-V199 HydrophobicContact CD2-CG2 4.43Å; M39-V199 HydrophobicContact CE-CB 4.39Å; M39-V199 HydrophobicContact CE-CG2 3.65Å; M39-V199 HydrophobicContact SD-CG2 4.02Å; M41-V199 HydrophobicContact SD-CG1 3.81Å; I57-V199 HydrophobicContact CD1-CG1 4.27Å; N107-V199 WeakPolarHBondContact CB-O 3.46Å; N107-V199 PolarHBondContact ND2-O 3.01Å; N107-V199 PolarHBondContact O-N 3.04Å; N107-V199 VanDerWaalsContact O-N 3.12Å; V171-V199 HydrophobicContact CG1-CG1 3.62Å; H172-V199 WeakPolarHBondContact O-CA 3.25Å; L173-V199 HydrophobicContact CD1-CG1 4.44Å; L173-V199 HydrophobicContact CG-CG1 4.43Å; L173-V199 HydrophobicContact CG-CG2 4.18Å; L197-V199 HydrophobicContact CD1-CG2 4.1Å; L197-V199 HydrophobicContact CD2-CG2 4.21Å; L197-V199 HydrophobicContact CG-CG2 3.99Å
200A96.9Very high97.4Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-149.7162.5-179.900000112.6H172 S202 A205 A206H172-A200 PolarHBondContact N-O 2.79Å; H172-A200 PolarHBondContact O-N 3.32Å; A200-S202 VanDerWaalsContact C-N 3.32Å; A200-A205 HydrophobicContact CB-CB 3.87Å; A200-A206 HydrophobicContact CB-CB 4.04Å
201N94.6Very high97.5Very high107 Ų10741.8 Ų41.857%0.57222%0.221SC*.SBendtrans-85-2.3-179.665.7-2.7000114.3M41 T170M41-N201 HydrophobicContact CE-CB 4.42Å; T170-N201 VanDerWaalsContact O-CA 3.29Å; T170-N201 WeakPolarHBondContact O-CA 3.19Å
202S95.9Very high97.5Very high43 Ų4343.9 Ų43.930%0.30123%0.228SC..SBendtrans-147.7152.917768.90000111.5A200 E204 A205 A206A200-S202 VanDerWaalsContact C-N 3.32Å; S202-E204 VanDerWaalsContact C-N 3.29Å; S202-E204 PolarHBondContact O-N 3.45Å; S202-A205 PolarHBondContact O-N 3.24Å; S202-A205 VanDerWaalsContact OG-CB 3.29Å; S202-A205 WeakPolarHBondContact OG-CB 3.25Å; S202-A205 PolarHBondContact OG-N 2.68Å; S202-A206 WeakPolarHBondContact O-CB 3.09Å; S202-A206 PolarHBondContact O-N 2.83Å
203L97.2Very high97.6Very high60 Ų6037.3 Ų37.331%0.31420%0.203SC..Hα-helixtrans-62.7-36.5178.7-175.757.8000112.7H153 H172 A206 K207H153-L203 WeakPolarHBondContact CE1-CD1 3.48Å; H172-L203 PolarHBondContact CD2-N 2.96Å; H172-L203 PolarHBondContact NE2-N 3.5Å; L203-A206 PolarHBondContact O-N 2.88Å; L203-K207 HydrophobicContact CD1-CD 4.22Å; L203-K207 HydrophobicContact CD1-CG 4.24Å; L203-K207 HydrophobicContact CG-CD 4.17Å; L203-K207 WeakPolarHBondContact O-CB 3.5Å; L203-K207 WeakPolarHBondContact O-CG 3.07Å; L203-K207 PolarHBondContact O-N 2.95Å
204E97.4Very high97.7Very high164 Ų16436.7 Ų36.777%0.76620%0.204SC*.Hα-helixtrans-65.1-49.1179.1-177.1175.7-178.100110.9S202 A206 K207 S208S202-E204 VanDerWaalsContact C-N 3.29Å; S202-E204 PolarHBondContact O-N 3.45Å; E204-A206 PolarHBondContact O-N 2.87Å; E204-K207 PolarHBondContact O-N 3.25Å; E204-S208 VanDerWaalsContact O-CB 3.3Å; E204-S208 WeakPolarHBondContact O-CB 3.45Å; E204-S208 PolarHBondContact O-N 3.12Å
205A95.9Very high97.8Very high30 Ų3039.2 Ų39.225%0.24821%0.213CC..Hα-helixtrans-60.6-45.1175.400000111.3A200 S202 K207 S208 S209A200-A205 HydrophobicContact CB-CB 3.87Å; S202-A205 PolarHBondContact O-N 3.24Å; S202-A205 VanDerWaalsContact OG-CB 3.29Å; S202-A205 WeakPolarHBondContact OG-CB 3.25Å; S202-A205 PolarHBondContact OG-N 2.68Å; A205-K207 PolarHBondContact O-N 3.28Å; A205-S208 PolarHBondContact O-N 3.12Å; A205-S209 WeakPolarHBondContact O-CB 3.46Å; A205-S209 PolarHBondContact O-N 2.88Å; A205-S209 PolarHBondContact O-OG 2.67Å
206A97.9Very high97.8Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-58.9-46.3178.400000112.3H172 I174 V198 A200 S202 L203 E204 Y210H172-A206 HydrophobicContact CB-CB 3.87Å; I174-A206 HydrophobicContact CD1-CB 3.84Å; I174-A206 HydrophobicContact CG1-CB 4.22Å; V198-A206 HydrophobicContact CG1-CB 4.34Å; V198-A206 WeakPolarHBondContact CG1-O 3.19Å; A200-A206 HydrophobicContact CB-CB 4.04Å; S202-A206 WeakPolarHBondContact O-CB 3.09Å; S202-A206 PolarHBondContact O-N 2.83Å; L203-A206 PolarHBondContact O-N 2.88Å; E204-A206 PolarHBondContact O-N 2.87Å; A206-Y210 VanDerWaalsContact O-CB 3.31Å; A206-Y210 WeakPolarHBondContact O-CB 3.42Å; A206-Y210 PolarHBondContact O-N 3.47Å
207K98.5Very high97.7Very high71 Ų7142 Ų4231%0.30923%0.227SC..Hα-helixtrans-66.8-42.9178.3-74.5178.6173.6174.30112.2Y148 I174 L203 E204 A205 Y210 D211Y148-K207 HydrophobicContact CD1-CB 4.47Å; Y148-K207 HydrophobicContact CD1-CG 3.97Å; Y148-K207 HydrophobicContact CD2-CD 4.05Å; Y148-K207 HydrophobicContact CD2-CG 4.18Å; Y148-K207 HydrophobicContact CE1-CB 3.89Å; Y148-K207 HydrophobicContact CE1-CD 4.43Å; Y148-K207 HydrophobicContact CE1-CG 3.8Å; Y148-K207 HydrophobicContact CE2-CD 3.75Å; Y148-K207 HydrophobicContact CE2-CG 4.02Å; Y148-K207 HydrophobicContact CG-CG 4.15Å; I174-K207 HydrophobicContact CD1-CG 3.99Å; L203-K207 HydrophobicContact CD1-CD 4.22Å; L203-K207 HydrophobicContact CD1-CG 4.24Å; L203-K207 HydrophobicContact CG-CD 4.17Å; L203-K207 WeakPolarHBondContact O-CB 3.5Å; L203-K207 WeakPolarHBondContact O-CG 3.07Å; L203-K207 PolarHBondContact O-N 2.95Å; E204-K207 PolarHBondContact O-N 3.25Å; A205-K207 PolarHBondContact O-N 3.28Å; K207-Y210 PolarHBondContact O-N 2.82Å; K207-D211 WeakPolarHBondContact O-CB 3.44Å; K207-D211 PolarHBondContact O-N 3.18Å
208S98Very high97.6Very high79 Ų7950.1 Ų50.155%0.55227%0.265SS*.Hα-helixtrans-61-48178.1-174.30000111.6E204 A205 Y210 D211 E212E204-S208 VanDerWaalsContact O-CB 3.3Å; E204-S208 WeakPolarHBondContact O-CB 3.45Å; E204-S208 PolarHBondContact O-N 3.12Å; A205-S208 PolarHBondContact O-N 3.12Å; S208-Y210 VanDerWaalsContact C-N 3.34Å; S208-Y210 PolarHBondContact O-N 2.8Å; S208-D211 PolarHBondContact O-N 3.38Å; S208-E212 PolarHBondContact O-N 3.23Å
209S97.9Very high97.5Very high20 Ų2054.2 Ų54.214%0.1429%0.29CS..Hα-helixtrans-67.1-33.4177.1-59.60000112.8A205 G213A205-S209 WeakPolarHBondContact O-CB 3.46Å; A205-S209 PolarHBondContact O-N 2.88Å; A205-S209 PolarHBondContact O-OG 2.67Å; S209-G213 PolarHBondContact O-N 3.43Å
210Y98.6Very high97.4Very high3 Ų356.7 Ų56.71%0.01232%0.316CS..Hα-helixtrans-70-40.9175.8-167.8-105000111.6Y148 K149 G151 I174 T176 I196 V198 A206 K207 S208 E212 G213 L214Y148-Y210 AromaticContact CD1-CD1 3.86Å; Y148-Y210 HydrophobicContact CD1-CD1 3.86Å; Y148-Y210 HydrophobicContact CE1-CD1 4.32Å; Y148-Y210 WeakPolarHBondContact O-CE1 3.22Å; K149-Y210 HydrophobicContact CB-CE1 4.41Å; G151-Y210 VanDerWaalsContact CA-OH 3.22Å; G151-Y210 WeakPolarHBondContact CA-OH 3.4Å; G151-Y210 PolarHBondContact N-OH 2.62Å; I174-Y210 HydrophobicContact CB-CD2 4.09Å; I174-Y210 HydrophobicContact CB-CG 4.27Å; I174-Y210 HydrophobicContact CG2-CD1 3.87Å; I174-Y210 HydrophobicContact CG2-CD2 3.56Å; I174-Y210 HydrophobicContact CG2-CE1 4.05Å; I174-Y210 HydrophobicContact CG2-CE2 3.79Å; I174-Y210 HydrophobicContact CG2-CG 3.61Å; T176-Y210 PolarHBondContact OG1-OH 2.95Å; I196-Y210 HydrophobicContact CD1-CD2 3.79Å; I196-Y210 HydrophobicContact CD1-CE2 3.78Å; I196-Y210 HydrophobicContact CG1-CD2 4.14Å; I196-Y210 HydrophobicContact CG1-CE2 3.76Å; V198-Y210 HydrophobicContact CG2-CD2 4.02Å; A206-Y210 VanDerWaalsContact O-CB 3.31Å; A206-Y210 WeakPolarHBondContact O-CB 3.42Å; A206-Y210 PolarHBondContact O-N 3.47Å; K207-Y210 PolarHBondContact O-N 2.82Å; S208-Y210 VanDerWaalsContact C-N 3.34Å; S208-Y210 PolarHBondContact O-N 2.8Å; Y210-E212 VanDerWaalsContact C-N 3.34Å; Y210-E212 PolarHBondContact O-N 3.4Å; Y210-G213 PolarHBondContact O-N 3.06Å; Y210-L214 HydrophobicContact CD1-CD1 3.89Å; Y210-L214 HydrophobicContact CD1-CG 4.21Å; Y210-L214 HydrophobicContact CE1-CD1 3.61Å; Y210-L214 HydrophobicContact CE1-CD2 4.29Å; Y210-L214 HydrophobicContact CE1-CG 3.98Å; Y210-L214 WeakPolarHBondContact O-CG 3.37Å; Y210-L214 PolarHBondContact O-N 3.09Å
211D98.6Very high97.5Very high51 Ų5160.1 Ų60.127%0.27333%0.334SS..Hα-helixtrans-59.6-44.9173.2-80.1-3.3000111.8Y148 K149 K207 S208 L214 N215Y148-D211 VanDerWaalsContact CE1-OD1 3.31Å; Y148-D211 WeakPolarHBondContact CE1-OD1 3.32Å; Y148-D211 PolarHBondContact OH-OD1 3.29Å; Y148-D211 PolarHBondContact OH-OD2 3.35Å; K149-D211 VanDerWaalsContact CD-OD1 3.27Å; K149-D211 WeakPolarHBondContact CD-OD1 3.22Å; K149-D211 WeakPolarHBondContact CE-OD1 3.2Å; K149-D211 IonicContact NZ-OD1 3.65Å; K149-D211 PolarHBondContact NZ-OD1 3.18Å; K149-D211 IonicContact NZ-OD2 2.75Å; K149-D211 PolarHBondContact NZ-OD2 3.12Å; K207-D211 WeakPolarHBondContact O-CB 3.44Å; K207-D211 PolarHBondContact O-N 3.18Å; S208-D211 PolarHBondContact O-N 3.38Å; D211-L214 PolarHBondContact O-N 3.26Å; D211-N215 WeakPolarHBondContact O-CB 3.46Å; D211-N215 PolarHBondContact O-N 2.77Å
212E98.4Very high97.6Very high59 Ų5955.3 Ų55.328%0.27631%0.309SS..Hα-helixtrans-63.4-44.1175.6-175.261.4-169.900111.4Y105 S208 Y210 L214 N215 L216Y105-E212 HydrophobicContact CD1-CG 3.9Å; Y105-E212 HydrophobicContact CE1-CG 3.48Å; Y105-E212 VanDerWaalsContact CE1-CG 3.48Å; Y105-E212 WeakPolarHBondContact CE1-OE1 3.37Å; Y105-E212 VanDerWaalsContact CZ-OE1 3.24Å; Y105-E212 PolarHBondContact OH-OE1 3.42Å; S208-E212 PolarHBondContact O-N 3.23Å; Y210-E212 VanDerWaalsContact C-N 3.34Å; Y210-E212 PolarHBondContact O-N 3.4Å; E212-L214 PolarHBondContact O-N 3.36Å; E212-N215 PolarHBondContact O-N 2.88Å; E212-L216 HydrophobicContact CG-CD1 4.1Å; E212-L216 HydrophobicContact CG-CG 4.47Å; E212-L216 WeakPolarHBondContact O-CB 3.14Å; E212-L216 VanDerWaalsContact O-CG 3.22Å; E212-L216 WeakPolarHBondContact O-CG 3.25Å; E212-L216 PolarHBondContact O-N 2.85Å
213G98.3Very high97.7Very high0 Ų056.2 Ų56.20%031%0.305CS..Hα-helixtrans-58.1-44.9175.100000113.2S209 Y210 L216 M217S209-G213 PolarHBondContact O-N 3.43Å; Y210-G213 PolarHBondContact O-N 3.06Å; G213-L216 PolarHBondContact O-N 3.33Å; G213-M217 WeakPolarHBondContact O-CG 3.3Å; G213-M217 PolarHBondContact O-N 3.31Å
214L98.3Very high97.8Very high53 Ų5356.3 Ų56.328%0.27731%0.31SS..Hα-helixtrans-63.4-43.6175.9-70.4179.9000112K149 I196 Y210 D211 E212 L216 M217 E218K149-L214 HydrophobicContact CB-CD1 4.02Å; K149-L214 HydrophobicContact CD-CD1 4.32Å; I196-L214 HydrophobicContact CD1-CD2 4.41Å; Y210-L214 HydrophobicContact CD1-CD1 3.89Å; Y210-L214 HydrophobicContact CD1-CG 4.21Å; Y210-L214 HydrophobicContact CE1-CD1 3.61Å; Y210-L214 HydrophobicContact CE1-CD2 4.29Å; Y210-L214 HydrophobicContact CE1-CG 3.98Å; Y210-L214 WeakPolarHBondContact O-CG 3.37Å; Y210-L214 PolarHBondContact O-N 3.09Å; D211-L214 PolarHBondContact O-N 3.26Å; E212-L214 PolarHBondContact O-N 3.36Å; L214-L216 PolarHBondContact O-N 2.97Å; L214-M217 WeakPolarHBondContact O-CB 3.37Å; L214-M217 PolarHBondContact O-N 3.33Å; L214-E218 PolarHBondContact O-N 3.11Å
215N98.4Very high97.8Very high73 Ų7349.2 Ų49.239%0.3928%0.278SS..Hα-helixtrans-62.6-41176.8176.560.1000111.9D211 E212 M217 E218 T219D211-N215 WeakPolarHBondContact O-CB 3.46Å; D211-N215 PolarHBondContact O-N 2.77Å; E212-N215 PolarHBondContact O-N 2.88Å; N215-M217 VanDerWaalsContact C-N 3.33Å; N215-M217 PolarHBondContact O-N 2.83Å; N215-E218 PolarHBondContact O-N 3.12Å; N215-T219 WeakPolarHBondContact O-CB 3.34Å; N215-T219 WeakPolarHBondContact O-CG2 3.35Å; N215-T219 PolarHBondContact O-N 3.45Å; N215-T219 PolarHBondContact O-OG1 2.8Å
216L98.2Very high97.9Very high3 Ų347.8 Ų47.82%0.01627%0.266CS..Hα-helixtrans-65-35.8175.2-70.6168.2000112.4Y105 E212 G213 L214 T219 G220 N221 L222Y105-L216 HydrophobicContact CD2-CD1 3.57Å; Y105-L216 HydrophobicContact CE2-CD1 3.3Å; Y105-L216 HydrophobicContact CE2-CD2 4.15Å; Y105-L216 HydrophobicContact CE2-CG 4.31Å; Y105-L216 HydrophobicContact CG-CD1 4.43Å; E212-L216 HydrophobicContact CG-CD1 4.1Å; E212-L216 HydrophobicContact CG-CG 4.47Å; E212-L216 WeakPolarHBondContact O-CB 3.14Å; E212-L216 VanDerWaalsContact O-CG 3.22Å; E212-L216 WeakPolarHBondContact O-CG 3.25Å; E212-L216 PolarHBondContact O-N 2.85Å; G213-L216 PolarHBondContact O-N 3.33Å; L214-L216 PolarHBondContact O-N 2.97Å; L216-T219 PolarHBondContact O-OG1 3.15Å; L216-G220 CarbonylContact O-C 3.05Å; L216-G220 PolarHBondContact O-N 2.8Å; L216-G220 VanDerWaalsContact O-N 3.13Å; L216-N221 HydrophobicContact CD2-CB 3.99Å; L216-N221 PolarHBondContact O-N 2.87Å; L216-L222 HydrophobicContact CB-CB 3.94Å; L216-L222 HydrophobicContact CB-CD1 4Å; L216-L222 HydrophobicContact CD1-CD1 4.02Å; L216-L222 PolarHBondContact O-N 3.09Å; L216-L222 VanDerWaalsContact O-N 3.11Å
217M96.8Very high97.9Very high65 Ų6550.7 Ų50.732%0.3228%0.28SS..Hα-helixtrans-66.8-46.8172.9-73.2-177.364.300111.7G194 I196 G213 L214 N215 T219 G220 L222G194-M217 VanDerWaalsContact O-CE 3.29Å; G194-M217 WeakPolarHBondContact O-CE 3.34Å; I196-M217 HydrophobicContact CG1-SD 4.49Å; I196-M217 HydrophobicContact CG2-SD 3.87Å; G213-M217 WeakPolarHBondContact O-CG 3.3Å; G213-M217 PolarHBondContact O-N 3.31Å; L214-M217 WeakPolarHBondContact O-CB 3.37Å; L214-M217 PolarHBondContact O-N 3.33Å; N215-M217 VanDerWaalsContact C-N 3.33Å; N215-M217 PolarHBondContact O-N 2.83Å; M217-T219 VanDerWaalsContact C-N 3.33Å; M217-T219 PolarHBondContact O-N 3.25Å; M217-G220 PolarHBondContact O-N 3.2Å; M217-L222 HydrophobicContact CG-CB 4.45Å; M217-L222 HydrophobicContact CG-CD2 3.65Å; M217-L222 HydrophobicContact SD-CD2 4.41Å
218E96.7Very high97.9Very high171 Ų17153.6 Ų53.680%0.79929%0.293SS*.Hα-helixtrans-61.7-41.2-179.9-176.1176.2-174.900112L214 N215 G220L214-E218 PolarHBondContact O-N 3.11Å; N215-E218 PolarHBondContact O-N 3.12Å; E218-G220 VanDerWaalsContact C-N 3.31Å; E218-G220 PolarHBondContact O-N 3.36Å
219T97.3Very high97.9Very high86 Ų8650.1 Ų50.153%0.52827%0.269SS..THydrogen-bonded Turntrans-81.4-7.8178.857.70000113.9N215 L216 M217 N221N215-T219 WeakPolarHBondContact O-CB 3.34Å; N215-T219 WeakPolarHBondContact O-CG2 3.35Å; N215-T219 PolarHBondContact O-N 3.45Å; N215-T219 PolarHBondContact O-OG1 2.8Å; L216-T219 PolarHBondContact O-OG1 3.15Å; M217-T219 VanDerWaalsContact C-N 3.33Å; M217-T219 PolarHBondContact O-N 3.25Å; T219-N221 VanDerWaalsContact C-N 3.29Å; T219-N221 PolarHBondContact O-N 2.97Å
220G96.1Very high97.9Very high53 Ų5349.3 Ų49.355%0.54626%0.263SS..THydrogen-bonded Turntrans71.618.2-176.200000114.6L216 M217 E218 P224L216-G220 CarbonylContact O-C 3.05Å; L216-G220 PolarHBondContact O-N 2.8Å; L216-G220 VanDerWaalsContact O-N 3.13Å; M217-G220 PolarHBondContact O-N 3.2Å; E218-G220 VanDerWaalsContact C-N 3.31Å; E218-G220 PolarHBondContact O-N 3.36Å; G220-P224 WeakPolarHBondContact O-CD 3.46Å
221N97.6Very high97.8Very high72 Ų7255.9 Ų55.939%0.38529%0.291SS..  trans-100.4-0.6-175.2-162.517.5000114.1L216 T219 S225L216-N221 HydrophobicContact CD2-CB 3.99Å; L216-N221 PolarHBondContact O-N 2.87Å; T219-N221 VanDerWaalsContact C-N 3.29Å; T219-N221 PolarHBondContact O-N 2.97Å; N221-S225 VanDerWaalsContact O-CB 3.23Å; N221-S225 WeakPolarHBondContact O-CB 3.46Å; N221-S225 PolarHBondContact O-N 3.06Å; N221-S225 PolarHBondContact O-OG 2.91Å
222L97.7Very high97.6Very high6 Ų656 Ų563%0.03129%0.29CS..Hα-helixtrans-57.1-58.2-179.2-17565.3000112.8H102 V110 I196 L216 M217 S225 H226H102-L222 PolarHBondContact NE2-O 3.28Å; H102-L222 VanDerWaalsContact NE2-O 3.11Å; V110-L222 HydrophobicContact CB-CD2 4.48Å; V110-L222 HydrophobicContact CG1-CD2 3.63Å; V110-L222 HydrophobicContact CG1-CG 4.42Å; V110-L222 HydrophobicContact CG2-CD1 4.11Å; V110-L222 HydrophobicContact CG2-CD2 3.96Å; V110-L222 HydrophobicContact CG2-CG 4.18Å; I196-L222 HydrophobicContact CG2-CD2 3.82Å; L216-L222 HydrophobicContact CB-CB 3.94Å; L216-L222 HydrophobicContact CB-CD1 4Å; L216-L222 HydrophobicContact CD1-CD1 4.02Å; L216-L222 PolarHBondContact O-N 3.09Å; L216-L222 VanDerWaalsContact O-N 3.11Å; M217-L222 HydrophobicContact CG-CB 4.45Å; M217-L222 HydrophobicContact CG-CD2 3.65Å; M217-L222 HydrophobicContact SD-CD2 4.41Å; L222-S225 PolarHBondContact O-OG 2.61Å; L222-H226 PolarHBondContact O-N 2.83Å
223R98.1Very high97.4Very high61 Ų6153.2 Ų53.223%0.2328%0.277CS..Hα-helixtrans-69.9-46176.5176.9171.4176.6153.96.4113.3I83 S98 Y100 E112 S225 H226 E227I83-R223 HydrophobicContact CD1-CG 4.24Å; S98-R223 PolarHBondContact OG-NH1 3.26Å; Y100-R223 WeakPolarHBondContact OH-CA 3.12Å; E112-R223 VanDerWaalsContact OE2-CD 3.27Å; E112-R223 WeakPolarHBondContact OE2-CD 3.21Å; E112-R223 IonicContact OE2-NH1 3.52Å; R223-S225 VanDerWaalsContact C-N 3.32Å; R223-S225 PolarHBondContact O-N 3.32Å; R223-H226 WeakPolarHBondContact O-CB 3.35Å; R223-H226 PolarHBondContact O-N 3.39Å; R223-H226 VanDerWaalsContact O-N 3.17Å; R223-E227 HydrophobicContact CG-CG 4.09Å; R223-E227 WeakPolarHBondContact CG-OE1 3.13Å; R223-E227 IonicContact CZ-OE1 2.69Å; R223-E227 IonicContact NE-OE1 2.76Å; R223-E227 PolarHBondContact NE-OE1 2.79Å; R223-E227 IonicContact NH2-OE1 3.5Å; R223-E227 PolarHBondContact NH2-OE1 3.27Å; R223-E227 WeakPolarHBondContact O-CG 3.46Å; R223-E227 PolarHBondContact O-N 3.48Å
224P98.3Very high97.3Very high63 Ų6353.6 Ų53.641%0.40928%0.279SS..Hα-helixtrans-58.2-37.1179.2-28.535.8000114.7G220 K228G220-P224 WeakPolarHBondContact O-CD 3.46Å; P224-K228 WeakPolarHBondContact O-CB 3.3Å; P224-K228 PolarHBondContact O-N 2.75Å
225S97.9Very high97Very high14 Ų1455.5 Ų55.510%0.09829%0.288CS..Hα-helixtrans-70.2-35.4177.563.70000112.8H102 N221 L222 R223 A229H102-S225 PolarHBondContact CE1-OG 3.04Å; H102-S225 PolarHBondContact NE2-OG 2.98Å; H102-S225 VanDerWaalsContact NE2-OG 3.1Å; N221-S225 VanDerWaalsContact O-CB 3.23Å; N221-S225 WeakPolarHBondContact O-CB 3.46Å; N221-S225 PolarHBondContact O-N 3.06Å; N221-S225 PolarHBondContact O-OG 2.91Å; L222-S225 PolarHBondContact O-OG 2.61Å; R223-S225 VanDerWaalsContact C-N 3.32Å; R223-S225 PolarHBondContact O-N 3.32Å; S225-A229 PolarHBondContact O-N 2.98Å; S225-A229 VanDerWaalsContact O-N 3.13Å
226H98.3Very high96.7Very high0 Ų054.8 Ų54.80%028%0.283CS..Hα-helixtrans-64.3-51.6170.5167.481000112.3T81 I83 Y100 C101 R103 L222 R223 K228 A229 W230T81-H226 PolarHBondContact O-CE1 2.88Å; T81-H226 PolarHBondContact O-NE2 3.12Å; I83-H226 WeakPolarHBondContact CG1-NE2 3.24Å; Y100-H226 HydrophobicContact CD2-CB 4.31Å; Y100-H226 AromaticContact CD2-CD2 3.6Å; Y100-H226 AromaticContact CD2-CE1 3.58Å; Y100-H226 AromaticContact CD2-CG 3.66Å; Y100-H226 AromaticContact CD2-ND1 3.67Å; Y100-H226 AromaticContact CD2-NE2 3.52Å; Y100-H226 HydrophobicContact CE2-CB 3.96Å; Y100-H226 AromaticContact CE2-CD2 3.89Å; Y100-H226 AromaticContact CE2-CG 3.81Å; Y100-H226 AromaticContact CG-CD2 3.99Å; Y100-H226 AromaticContact CG-CE1 3.97Å; Y100-H226 AromaticContact CG-NE2 3.62Å; C101-H226 PolarHBondContact O-CE1 2.66Å; C101-H226 VanDerWaalsContact O-CE1 3.24Å; C101-H226 PolarHBondContact O-ND1 3.04Å; R103-H226 PolarHBondContact N-ND1 3.28Å; R103-H226 VanDerWaalsContact N-ND1 3.12Å; L222-H226 PolarHBondContact O-N 2.83Å; R223-H226 WeakPolarHBondContact O-CB 3.35Å; R223-H226 PolarHBondContact O-N 3.39Å; R223-H226 VanDerWaalsContact O-N 3.17Å; H226-K228 VanDerWaalsContact C-N 3.28Å; H226-K228 PolarHBondContact O-N 3.13Å; H226-A229 PolarHBondContact O-N 2.92Å; H226-A229 VanDerWaalsContact O-N 3.14Å; H226-W230 AromaticContact CE1-CD1 3.44Å; H226-W230 VanDerWaalsContact CE1-CD1 3.44Å; H226-W230 AromaticContact CE1-NE1 3.36Å; H226-W230 PolarHBondContact CE1-NE1 2.88Å; H226-W230 AromaticContact ND1-CD1 3.79Å; H226-W230 AromaticContact ND1-NE1 3.99Å; H226-W230 AromaticContact NE2-CD1 3.78Å; H226-W230 AromaticContact NE2-NE1 3.95Å; H226-W230 PolarHBondContact O-N 2.96Å; H226-W230 VanDerWaalsContact O-N 3.07Å
227E98.5Very high96.4Very high62 Ų6254.6 Ų54.629%0.2928%0.282SS..Hα-helixtrans-61.1-38.7179.3-68.3178.9168.400111.6T81 I83 R223 W230 K231T81-E227 HydrophobicContact CG2-CB 4.32Å; T81-E227 HydrophobicContact CG2-CG 3.78Å; I83-E227 HydrophobicContact CD1-CG 4.22Å; R223-E227 HydrophobicContact CG-CG 4.09Å; R223-E227 WeakPolarHBondContact CG-OE1 3.13Å; R223-E227 IonicContact CZ-OE1 2.69Å; R223-E227 IonicContact NE-OE1 2.76Å; R223-E227 PolarHBondContact NE-OE1 2.79Å; R223-E227 IonicContact NH2-OE1 3.5Å; R223-E227 PolarHBondContact NH2-OE1 3.27Å; R223-E227 WeakPolarHBondContact O-CG 3.46Å; R223-E227 PolarHBondContact O-N 3.48Å; E227-W230 PolarHBondContact O-N 3.43Å; E227-K231 WeakPolarHBondContact O-CB 3.17Å; E227-K231 PolarHBondContact O-N 3.21Å
228K98Very high96.2Very high132 Ų13253.7 Ų53.757%0.57428%0.276SS*.Hα-helixtrans-60.5-46.3174.3179.8-178.9170-172.30111.6P224 H226 W230 K231 E232P224-K228 WeakPolarHBondContact O-CB 3.3Å; P224-K228 PolarHBondContact O-N 2.75Å; H226-K228 VanDerWaalsContact C-N 3.28Å; H226-K228 PolarHBondContact O-N 3.13Å; K228-W230 VanDerWaalsContact C-N 3.35Å; K228-W230 PolarHBondContact O-N 3.22Å; K228-K231 PolarHBondContact O-N 2.88Å; K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 IonicContact NZ-OE1 3.93Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 3.5Å
229A97.2Very high96.2Very high6 Ų645.8 Ų45.85%0.0524%0.239CC..Hα-helixtrans-63.8-39.4179.800000112.2R103 F104 S225 H226 E232 L233R103-A229 HydrophobicContact CB-CB 3.99Å; R103-A229 HydrophobicContact CG-CB 3.86Å; F104-A229 HydrophobicContact CB-CB 4.03Å; F104-A229 HydrophobicContact CD2-CB 4.44Å; S225-A229 PolarHBondContact O-N 2.98Å; S225-A229 VanDerWaalsContact O-N 3.13Å; H226-A229 PolarHBondContact O-N 2.92Å; H226-A229 VanDerWaalsContact O-N 3.14Å; A229-E232 PolarHBondContact O-N 3.38Å; A229-L233 PolarHBondContact O-N 3.1Å; A229-L233 VanDerWaalsContact O-N 3.07Å
230W97.8Very high96.1Very high3 Ų344.2 Ų44.21%0.01123%0.226CC..Hα-helixtrans-65.3-42.1172.6-91.5110.7000113.1H80 T81 R103 H226 E227 K228 E232 L233 W234 F256 L259 S260H80-W230 WeakPolarHBondContact O-CB 3.49Å; T81-W230 VanDerWaalsContact C-CD1 3.5Å; T81-W230 PolarHBondContact O-NE1 2.71Å; T81-W230 VanDerWaalsContact O-NE1 3.12Å; R103-W230 HydrophobicContact CB-CG 4.36Å; R103-W230 HydrophobicContact CG-CD2 4.45Å; R103-W230 HydrophobicContact CG-CG 4.25Å; H226-W230 AromaticContact CE1-CD1 3.44Å; H226-W230 VanDerWaalsContact CE1-CD1 3.44Å; H226-W230 AromaticContact CE1-NE1 3.36Å; H226-W230 PolarHBondContact CE1-NE1 2.88Å; H226-W230 AromaticContact ND1-CD1 3.79Å; H226-W230 AromaticContact ND1-NE1 3.99Å; H226-W230 AromaticContact NE2-CD1 3.78Å; H226-W230 AromaticContact NE2-NE1 3.95Å; H226-W230 PolarHBondContact O-N 2.96Å; H226-W230 VanDerWaalsContact O-N 3.07Å; E227-W230 PolarHBondContact O-N 3.43Å; K228-W230 VanDerWaalsContact C-N 3.35Å; K228-W230 PolarHBondContact O-N 3.22Å; W230-E232 VanDerWaalsContact C-N 3.35Å; W230-E232 PolarHBondContact O-N 3.42Å; W230-L233 HydrophobicContact CE3-CD2 3.95Å; W230-L233 HydrophobicContact CZ3-CD2 3.84Å; W230-L233 WeakPolarHBondContact O-CB 3.43Å; W230-L233 PolarHBondContact O-N 2.58Å; W230-W234 AromaticContact CE3-CD1 3.94Å; W230-W234 AromaticContact CE3-NE1 3.52Å; W230-W234 HydrophobicContact CZ3-CZ2 4.45Å; W230-W234 AromaticContact CZ3-NE1 3.86Å; W230-W234 VanDerWaalsContact O-CD1 3.31Å; W230-W234 PolarHBondContact O-N 3.48Å; W230-F256 AromaticContact CH2-CD2 3.54Å; W230-F256 HydrophobicContact CH2-CD2 3.54Å; W230-F256 AromaticContact CH2-CE2 3.45Å; W230-F256 HydrophobicContact CH2-CE2 3.45Å; W230-F256 VanDerWaalsContact CH2-CE2 3.45Å; W230-F256 HydrophobicContact CZ2-CD2 4.19Å; W230-F256 AromaticContact CZ2-CE2 3.62Å; W230-F256 HydrophobicContact CZ2-CE2 3.62Å; W230-F256 AromaticContact CZ3-CD2 3.91Å; W230-F256 HydrophobicContact CZ3-CD2 3.91Å; W230-F256 HydrophobicContact CZ3-CE2 4.16Å; W230-L259 HydrophobicContact CZ3-CB 4.35Å; W230-S260 WeakPolarHBondContact CH2-OG 3.4Å
231K97Very high96.1Very high141 Ų14142.2 Ų42.261%0.61320%0.203SC*.Hα-helixtrans-60.7-44.1175.3-177.2176.8-179.6175.50111.8E227 K228 L233 W234 L235E227-K231 WeakPolarHBondContact O-CB 3.17Å; E227-K231 PolarHBondContact O-N 3.21Å; K228-K231 PolarHBondContact O-N 2.88Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 3.23Å; K231-W234 PolarHBondContact O-N 3.39Å; K231-L235 HydrophobicContact CG-CD1 4.18Å; K231-L235 WeakPolarHBondContact O-CB 3.38Å; K231-L235 WeakPolarHBondContact O-CG 3.4Å; K231-L235 PolarHBondContact O-N 3.38Å
232E94.8Very high96Very high52 Ų5242.1 Ų42.124%0.24321%0.205CC..Hα-helixtrans-61.3-36.6176.1-75.1173.3179.700112.4K228 A229 W230 Q236 H266K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 IonicContact NZ-OE1 3.93Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 3.5Å; A229-E232 PolarHBondContact O-N 3.38Å; W230-E232 VanDerWaalsContact C-N 3.35Å; W230-E232 PolarHBondContact O-N 3.42Å; E232-Q236 PolarHBondContact O-NE2 2.88Å; E232-H266 IonicContact OE2-CD2 3.46Å; E232-H266 IonicContact OE2-CE1 3.55Å; E232-H266 IonicContact OE2-NE2 2.8Å; E232-H266 PolarHBondContact OE2-NE2 3.29Å
233L94.4Very high95.7Very high1 Ų144.4 Ų44.41%0.00523%0.23CC..Hα-helixtrans-63.9-62.4172.5-164.471000109.6R103 A229 W230 K231 L235 Q236 L259 I265 Y309R103-L233 VanDerWaalsContact NH1-CD2 3.27Å; A229-L233 PolarHBondContact O-N 3.1Å; A229-L233 VanDerWaalsContact O-N 3.07Å; W230-L233 HydrophobicContact CE3-CD2 3.95Å; W230-L233 HydrophobicContact CZ3-CD2 3.84Å; W230-L233 WeakPolarHBondContact O-CB 3.43Å; W230-L233 PolarHBondContact O-N 2.58Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 3.23Å; L233-L235 PolarHBondContact O-N 2.92Å; L233-Q236 WeakPolarHBondContact O-CB 3.45Å; L233-Q236 PolarHBondContact O-N 3.27Å; L233-L259 HydrophobicContact CD1-CD2 4.34Å; L233-L259 HydrophobicContact CD2-CB 3.83Å; L233-L259 HydrophobicContact CD2-CD1 4.01Å; L233-L259 HydrophobicContact CD2-CD2 4.11Å; L233-L259 HydrophobicContact CD2-CG 4.2Å; L233-L259 HydrophobicContact CG-CD1 4.25Å; L233-L259 HydrophobicContact CG-CD2 4.24Å; L233-I265 HydrophobicContact CD1-CG2 3.73Å; L233-Y309 HydrophobicContact CD1-CD1 4.49Å; L233-Y309 HydrophobicContact CD1-CE1 3.71Å; L233-Y309 HydrophobicContact CD1-CE2 4.13Å; L233-Y309 VanDerWaalsContact CD1-CZ 3.49Å; L233-Y309 WeakPolarHBondContact CD1-OH 3.44Å; L233-Y309 WeakPolarHBondContact CG-OH 3.45Å; L233-Y309 PolarHBondContact O-OH 3.24Å
234W95.8Very high95.4Very high9 Ų942.3 Ų42.33%0.03423%0.225CC..Hα-helixtrans-55.8-31-177.2-77.3120000114.6Y8 T79 W230 K231 Q236 S237 K238 M255 F256 L259Y8-W234 HydrophobicContact CD1-CZ2 4.3Å; Y8-W234 HydrophobicContact CE1-CD2 4.24Å; Y8-W234 HydrophobicContact CE1-CE3 4.1Å; Y8-W234 HydrophobicContact CE1-CH2 4.01Å; Y8-W234 HydrophobicContact CE1-CZ2 4.15Å; Y8-W234 AromaticContact CE1-CZ3 3.99Å; Y8-W234 HydrophobicContact CE1-CZ3 3.99Å; T79-W234 PolarHBondContact O-NE1 2.66Å; W230-W234 AromaticContact CE3-CD1 3.94Å; W230-W234 AromaticContact CE3-NE1 3.52Å; W230-W234 HydrophobicContact CZ3-CZ2 4.45Å; W230-W234 AromaticContact CZ3-NE1 3.86Å; W230-W234 VanDerWaalsContact O-CD1 3.31Å; W230-W234 PolarHBondContact O-N 3.48Å; K231-W234 PolarHBondContact O-N 3.39Å; W234-Q236 PolarHBondContact O-N 3.4Å; W234-Q236 VanDerWaalsContact O-N 3.16Å; W234-S237 PolarHBondContact O-N 3.49Å; W234-K238 WeakPolarHBondContact O-CG 3.47Å; W234-M255 HydrophobicContact CH2-CB 3.76Å; W234-M255 HydrophobicContact CZ3-CB 3.85Å; W234-F256 HydrophobicContact CH2-CB 4.35Å; W234-F256 HydrophobicContact CZ2-CB 4.1Å; W234-F256 HydrophobicContact CZ2-CD2 4.48Å; W234-L259 HydrophobicContact CE3-CD1 4.34Å; W234-L259 HydrophobicContact CH2-CD1 4.27Å; W234-L259 HydrophobicContact CZ3-CD1 4.13Å
235L92.6Very high95.1Very high92 Ų9244.6 Ų44.648%0.48223%0.23SC..THydrogen-bonded Turntrans-62-19.7175.2-75.7169.6000113.9K231 L233 R643K231-L235 HydrophobicContact CG-CD1 4.18Å; K231-L235 WeakPolarHBondContact O-CB 3.38Å; K231-L235 WeakPolarHBondContact O-CG 3.4Å; K231-L235 PolarHBondContact O-N 3.38Å; L233-L235 PolarHBondContact O-N 2.92Å; L235-R643 PolarHBondContact O-NH1 3.02Å; L235-R643 PolarHBondContact O-NH2 3.25Å; L235-R643 VanDerWaalsContact O-NH2 3.14Å
236Q91.2Very high94.9Very high58 Ų5847.9 Ų47.927%0.27125%0.25SC..THydrogen-bonded Turntrans-104.7-4.4-177-65.2177.567.600114.1E232 L233 W234 Y309 G621E232-Q236 PolarHBondContact O-NE2 2.88Å; L233-Q236 WeakPolarHBondContact O-CB 3.45Å; L233-Q236 PolarHBondContact O-N 3.27Å; W234-Q236 PolarHBondContact O-N 3.4Å; W234-Q236 VanDerWaalsContact O-N 3.16Å; Q236-Y309 HydrophobicContact CB-CE1 3.54Å; Q236-Y309 HydrophobicContact CG-CE1 4.39Å; Q236-G621 WeakPolarHBondContact O-CA 3.5Å
237S92.8Very high94.8Very high0 Ų048 Ų480%025%0.25CS..  trans-150.853.5-173.7600000114.2W234 M255 Y309 R620W234-S237 PolarHBondContact O-N 3.49Å; S237-M255 WeakPolarHBondContact O-CE 3.24Å; S237-Y309 VanDerWaalsContact CB-CE2 3.46Å; S237-Y309 VanDerWaalsContact CB-OH 3.22Å; S237-Y309 WeakPolarHBondContact CB-OH 3.29Å; S237-Y309 WeakPolarHBondContact OG-CE2 3.11Å; S237-Y309 PolarHBondContact OG-OH 3.46Å; S237-R620 WeakPolarHBondContact CA-O 3.38Å
238K92.7Very high94.6Very high46 Ų4645.9 Ų45.920%0.224%0.242CC..EExtended strand (participates in β ladder)trans-87.1133.1178.1-58.4-163.7164.2-160.80111.7W234 E240 V619 R620W234-K238 WeakPolarHBondContact O-CG 3.47Å; K238-E240 HydrophobicContact CB-CG 4.4Å; K238-E240 WeakPolarHBondContact CD-OE1 3.39Å; K238-E240 IonicContact NZ-OE1 2.73Å; K238-V619 CarbonylContact O-C 3.59Å; K238-V619 WeakPolarHBondContact O-CA 3.4Å; K238-R620 HydrophobicContact CB-CB 4.02Å; K238-R620 HydrophobicContact CB-CG 4.2Å; K238-R620 PolarHBondContact N-O 3.16Å; K238-R620 PolarHBondContact O-N 2.9Å
239V96.3Very high94.5Very high4 Ų441.9 Ų41.92%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-125.599.2168.7-169.40000107V251 M255 F308 V590 L591 L617 C618 V619V239-V251 HydrophobicContact CB-CG1 3.62Å; V239-V251 HydrophobicContact CG1-CG1 3.64Å; V239-M255 HydrophobicContact CG2-CE 4.4Å; V239-M255 HydrophobicContact CG2-CG 4.44Å; V239-M255 HydrophobicContact CG2-SD 4.33Å; V239-F308 HydrophobicContact CG2-CE2 4.21Å; V239-F308 HydrophobicContact CG2-CZ 3.82Å; V239-V590 HydrophobicContact CG1-CG1 3.92Å; V239-L591 HydrophobicContact CG1-CD2 4.31Å; V239-L591 HydrophobicContact CG2-CD2 3.75Å; V239-L617 HydrophobicContact CG1-CD1 4.09Å; V239-C618 WeakPolarHBondContact CA-O 3.41Å; V239-V619 HydrophobicContact CG2-CG1 4.48Å
240E95.4Very high94.5Very high53 Ų5341.6 Ų41.625%0.24822%0.223CC..EExtended strand (participates in β ladder)trans-110.4123.9-175-64.5170.2157.600108.9K238 C618 R620K238-E240 HydrophobicContact CB-CG 4.4Å; K238-E240 WeakPolarHBondContact CD-OE1 3.39Å; K238-E240 IonicContact NZ-OE1 2.73Å; E240-C618 HydrophobicContact CB-CB 4.24Å; E240-C618 PolarHBondContact N-O 3.45Å; E240-C618 PolarHBondContact O-N 2.92Å; E240-R620 IonicContact OE2-CZ 2.72Å; E240-R620 IonicContact OE2-NE 3.27Å; E240-R620 IonicContact OE2-NH2 2.97Å; E240-R620 PolarHBondContact OE2-NH2 3.37Å
241V95.4Very high94.4Very high11 Ų1141.5 Ų41.57%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-112.2126-178.6-179.40000109.1L247 V251 I614 L617V241-L247 HydrophobicContact CG1-CD2 3.88Å; V241-L247 HydrophobicContact CG1-CG 4.16Å; V241-L247 HydrophobicContact CG2-CD2 4.48Å; V241-L247 HydrophobicContact CG2-CG 4.34Å; V241-V251 HydrophobicContact CG2-CG2 4.44Å; V241-I614 HydrophobicContact CG1-CD1 3.75Å; V241-I614 HydrophobicContact CG1-CG2 4.05Å; V241-L617 HydrophobicContact CG2-CD1 3.87Å
242T94.9Very high94.4Very high71 Ų7134.9 Ų34.944%0.43619%0.194SC..EExtended strand (participates in β ladder)trans-107.3129.2174.7-57.60000109.8C615 E616T242-C615 HydrophobicContact CG2-CB 4.26Å; T242-C615 PolarHBondContact O-N 3.39Å; T242-E616 PolarHBondContact N-O 2.85Å; T242-E616 PolarHBondContact O-N 3.38Å
243G92.1Very high94.5Very high53 Ų5332.4 Ų32.455%0.54618%0.182SC..SBendtrans122-29.2176.900000114E613G243-E613 CarbonylContact C-O 3.46Å; G243-E613 WeakPolarHBondContact CA-O 3.48Å
244S92.7Very high94.7Very high17 Ų1732.4 Ų32.412%0.11918%0.182CC..  trans-131.2107.4178.9178.90000111.3T246 L247 S248S244-T246 VanDerWaalsContact C-N 3.35Å; S244-L247 PolarHBondContact O-N 3.46Å; S244-L247 WeakPolarHBondContact OG-CB 3.36Å; S244-L247 PolarHBondContact OG-N 3.09Å; S244-S248 WeakPolarHBondContact O-CB 3.44Å; S244-S248 PolarHBondContact O-N 2.98Å
245E92.1Very high94.8Very high111 Ų11132.2 Ų32.252%0.51918%0.182SC..Hα-helixtrans-65.1-39.2178.9-171.1-173.3157.300111.6S5 S248 K249S5-E245 PolarHBondContact OG-OE1 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.36Å; E245-S248 PolarHBondContact O-N 2.88Å; E245-K249 HydrophobicContact CG-CD 4.32Å; E245-K249 PolarHBondContact O-N 3.47Å; E245-K249 WeakPolarHBondContact OE1-CE 3.43Å; E245-K249 IonicContact OE1-NZ 2.88Å; E245-K249 PolarHBondContact OE1-NZ 3.43Å
246T93.2Very high95Very high84 Ų8427.9 Ų27.952%0.51516%0.159SC..Hα-helixtrans-60.6-48.5177-56.70000111.1S244 K249 A250 F557S244-T246 VanDerWaalsContact C-N 3.35Å; T246-K249 PolarHBondContact O-N 3Å; T246-A250 WeakPolarHBondContact O-CB 3.45Å; T246-A250 PolarHBondContact O-N 3.32Å; T246-F557 HydrophobicContact CG2-CD1 4.31Å; T246-F557 HydrophobicContact CG2-CD2 4.11Å; T246-F557 HydrophobicContact CG2-CE1 4.29Å; T246-F557 HydrophobicContact CG2-CE2 4.1Å; T246-F557 HydrophobicContact CG2-CG 4.23Å; T246-F557 HydrophobicContact CG2-CZ 4.2Å
247L94.9Very high95.4Very high1 Ų125.3 Ų25.31%0.00515%0.147CC..Hα-helixtrans-65.3-40.2177179.457000111.6V241 S244 A250 V251 F557 F586 V590 Y594 I614V241-L247 HydrophobicContact CG1-CD2 3.88Å; V241-L247 HydrophobicContact CG1-CG 4.16Å; V241-L247 HydrophobicContact CG2-CD2 4.48Å; V241-L247 HydrophobicContact CG2-CG 4.34Å; S244-L247 PolarHBondContact O-N 3.46Å; S244-L247 WeakPolarHBondContact OG-CB 3.36Å; S244-L247 PolarHBondContact OG-N 3.09Å; L247-A250 PolarHBondContact O-N 2.97Å; L247-V251 HydrophobicContact CD1-CG2 3.88Å; L247-V251 HydrophobicContact CG-CG2 4.35Å; L247-V251 WeakPolarHBondContact O-CB 3.22Å; L247-V251 VanDerWaalsContact O-CG2 3.31Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 3.26Å; L247-F557 HydrophobicContact CB-CZ 4.3Å; L247-F557 HydrophobicContact CD1-CE1 4.41Å; L247-F557 HydrophobicContact CD1-CZ 4.35Å; L247-F586 HydrophobicContact CD1-CE1 4.14Å; L247-F586 HydrophobicContact CD1-CE2 4.36Å; L247-F586 HydrophobicContact CD1-CZ 3.46Å; L247-F586 VanDerWaalsContact CD1-CZ 3.46Å; L247-V590 HydrophobicContact CD1-CG2 4.32Å; L247-Y594 HydrophobicContact CD2-CE2 4.12Å; L247-I614 HydrophobicContact CD2-CD1 3.54Å; L247-I614 HydrophobicContact CD2-CG1 4.41Å
248S95.3Very high95.6Very high18 Ų1825.4 Ų25.413%0.12615%0.148CC..Hα-helixtrans-57.7-51176.4-179.90000111.7S244 E245 A250 V251 V252S244-S248 WeakPolarHBondContact O-CB 3.44Å; S244-S248 PolarHBondContact O-N 2.98Å; E245-S248 WeakPolarHBondContact O-CB 3.36Å; E245-S248 PolarHBondContact O-N 2.88Å; S248-A250 PolarHBondContact O-N 2.98Å; S248-V251 PolarHBondContact O-N 3.35Å; S248-V252 VanDerWaalsContact O-CG2 3.3Å; S248-V252 WeakPolarHBondContact O-CG2 3.25Å; S248-V252 PolarHBondContact O-N 3.12Å
249K95.6Very high95.7Very high48 Ų4823.2 Ų23.221%0.20914%0.138CC..Hα-helixtrans-63.6-40.4177.5-74176.6170.3168.10112.4P7 F10 E245 T246 V252 G253P7-K249 HydrophobicContact CB-CG 4.2Å; F10-K249 HydrophobicContact CE1-CB 4.25Å; F10-K249 HydrophobicContact CE1-CG 4.25Å; E245-K249 HydrophobicContact CG-CD 4.32Å; E245-K249 PolarHBondContact O-N 3.47Å; E245-K249 WeakPolarHBondContact OE1-CE 3.43Å; E245-K249 IonicContact OE1-NZ 2.88Å; E245-K249 PolarHBondContact OE1-NZ 3.43Å; T246-K249 PolarHBondContact O-N 3Å; K249-V252 PolarHBondContact O-N 2.89Å; K249-G253 PolarHBondContact O-N 3.13Å
250A96.5Very high95.7Very high0 Ų023.2 Ų23.20%014%0.138CC..Hα-helixtrans-61.9-47.6177.200000111.9T246 L247 S248 G253 C254 F557 I560 F586T246-A250 WeakPolarHBondContact O-CB 3.45Å; T246-A250 PolarHBondContact O-N 3.32Å; L247-A250 PolarHBondContact O-N 2.97Å; S248-A250 PolarHBondContact O-N 2.98Å; A250-G253 PolarHBondContact O-N 3.38Å; A250-C254 WeakPolarHBondContact O-CB 3.36Å; A250-C254 PolarHBondContact O-N 3.12Å; A250-C254 PolarHBondContact O-SG 3.27Å; A250-F557 HydrophobicContact CB-CD1 4.42Å; A250-F557 HydrophobicContact CB-CE1 4.08Å; A250-I560 HydrophobicContact CB-CD1 3.51Å; A250-F586 HydrophobicContact CB-CE1 4.03Å; A250-F586 HydrophobicContact CB-CZ 4.08Å
251V97Very high95.7Very high1 Ų121 Ų211%0.00613%0.129CC..Hα-helixtrans-61.8-44.7177.5168.10000111.1V239 V241 L247 S248 C254 M255 F586 L587 V590V239-V251 HydrophobicContact CB-CG1 3.62Å; V239-V251 HydrophobicContact CG1-CG1 3.64Å; V241-V251 HydrophobicContact CG2-CG2 4.44Å; L247-V251 HydrophobicContact CD1-CG2 3.88Å; L247-V251 HydrophobicContact CG-CG2 4.35Å; L247-V251 WeakPolarHBondContact O-CB 3.22Å; L247-V251 VanDerWaalsContact O-CG2 3.31Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 3.26Å; S248-V251 PolarHBondContact O-N 3.35Å; V251-C254 PolarHBondContact O-N 3.37Å; V251-M255 HydrophobicContact CG1-CG 4.45Å; V251-M255 WeakPolarHBondContact O-CB 3.45Å; V251-M255 WeakPolarHBondContact O-CG 3.46Å; V251-M255 PolarHBondContact O-N 3.32Å; V251-F586 HydrophobicContact CG2-CE1 4.08Å; V251-L587 HydrophobicContact CG1-CD2 4.15Å; V251-V590 HydrophobicContact CG2-CG1 4.39Å; V251-V590 HydrophobicContact CG2-CG2 4.01Å
252V96.9Very high95.7Very high3 Ų320.5 Ų20.52%0.01813%0.126CC..Hα-helixtrans-62-45.8177.6170.90000111.3Y8 F10 T79 S248 K249 M255 F256Y8-V252 HydrophobicContact CD1-CB 4.49Å; Y8-V252 HydrophobicContact CD1-CG1 3.39Å; Y8-V252 HydrophobicContact CD1-CG2 4.25Å; Y8-V252 HydrophobicContact CD2-CG1 4.45Å; Y8-V252 HydrophobicContact CD2-CG2 4.31Å; Y8-V252 HydrophobicContact CE1-CB 4.47Å; Y8-V252 HydrophobicContact CE1-CG1 3.73Å; Y8-V252 HydrophobicContact CE1-CG2 3.92Å; Y8-V252 HydrophobicContact CE2-CG2 3.96Å; Y8-V252 HydrophobicContact CG-CG1 3.79Å; Y8-V252 HydrophobicContact CG-CG2 4.43Å; F10-V252 HydrophobicContact CZ-CG1 4.43Å; T79-V252 WeakPolarHBondContact OG1-CG1 3.06Å; S248-V252 VanDerWaalsContact O-CG2 3.3Å; S248-V252 WeakPolarHBondContact O-CG2 3.25Å; S248-V252 PolarHBondContact O-N 3.12Å; K249-V252 PolarHBondContact O-N 2.89Å; V252-M255 PolarHBondContact O-N 3.24Å; V252-F256 WeakPolarHBondContact O-CB 3.39Å; V252-F256 PolarHBondContact O-N 3.21Å
253G97.3Very high95.6Very high0 Ų017.6 Ų17.60%011%0.108CC..Hα-helixtrans-59.2-48.5175.600000112.4K249 A250 M255 F256 Y257K249-G253 PolarHBondContact O-N 3.13Å; A250-G253 PolarHBondContact O-N 3.38Å; G253-M255 PolarHBondContact O-N 3.27Å; G253-F256 PolarHBondContact O-N 3.05Å; G253-Y257 WeakPolarHBondContact O-CD2 3.45Å; G253-Y257 PolarHBondContact O-N 3.19Å
254C97.6Very high95.5Very high0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-59.5-47.8177.9-65.90000111.8A250 V251 F256 L258 W567 M583 L587A250-C254 WeakPolarHBondContact O-CB 3.36Å; A250-C254 PolarHBondContact O-N 3.12Å; A250-C254 PolarHBondContact O-SG 3.27Å; V251-C254 PolarHBondContact O-N 3.37Å; C254-F256 PolarHBondContact O-N 3.36Å; C254-L258 VanDerWaalsContact O-CB 3.23Å; C254-L258 WeakPolarHBondContact O-CB 3.47Å; C254-L258 PolarHBondContact O-N 3.24Å; C254-W567 VanDerWaalsContact SG-CE2 3.55Å; C254-W567 WeakPolarHBondContact SG-CZ2 3.5Å; C254-M583 HydrophobicContact CB-CB 3.91Å; C254-M583 HydrophobicContact CB-CG 4.28Å; C254-L587 HydrophobicContact CB-CD1 3.62Å; C254-L587 HydrophobicContact CB-CD2 3.85Å; C254-L587 HydrophobicContact CB-CG 3.57Å
255M97.7Very high95.4Very high5 Ų515.6 Ų15.63%0.0258%0.083CC..Hα-helixtrans-61.8-43.4177.5-74.2-64.3-68.800111.2W234 S237 V239 V251 V252 G253 L259 F308 L587W234-M255 HydrophobicContact CH2-CB 3.76Å; W234-M255 HydrophobicContact CZ3-CB 3.85Å; S237-M255 WeakPolarHBondContact O-CE 3.24Å; V239-M255 HydrophobicContact CG2-CE 4.4Å; V239-M255 HydrophobicContact CG2-CG 4.44Å; V239-M255 HydrophobicContact CG2-SD 4.33Å; V251-M255 HydrophobicContact CG1-CG 4.45Å; V251-M255 WeakPolarHBondContact O-CB 3.45Å; V251-M255 WeakPolarHBondContact O-CG 3.46Å; V251-M255 PolarHBondContact O-N 3.32Å; V252-M255 PolarHBondContact O-N 3.24Å; G253-M255 PolarHBondContact O-N 3.27Å; M255-L259 HydrophobicContact CE-CD1 4.28Å; M255-L259 WeakPolarHBondContact O-CB 3.39Å; M255-L259 WeakPolarHBondContact O-CD1 3.45Å; M255-L259 WeakPolarHBondContact O-CG 3.31Å; M255-L259 PolarHBondContact O-N 3.43Å; M255-F308 HydrophobicContact CE-CD2 4.03Å; M255-F308 HydrophobicContact CE-CE2 3.89Å; M255-F308 HydrophobicContact SD-CE2 4.45Å; M255-L587 HydrophobicContact CG-CD1 4.28Å; M255-L587 HydrophobicContact CG-CD2 3.89Å; M255-L587 HydrophobicContact SD-CD1 3.82Å; M255-L587 HydrophobicContact SD-CD2 4.01Å
256F97.9Very high95.2Very high1 Ų115.2 Ų15.20%0.0048%0.081CC..Hα-helixtrans-59.9-51.6179.4169.9-104.3000112.8L77 T79 W230 W234 V252 G253 C254 L259 S260L77-F256 HydrophobicContact CD1-CE1 4.28Å; L77-F256 HydrophobicContact CD1-CZ 4.19Å; L77-F256 HydrophobicContact CD2-CD1 4.41Å; L77-F256 HydrophobicContact CD2-CE1 3.93Å; L77-F256 HydrophobicContact CG-CE1 4.49Å; T79-F256 HydrophobicContact CG2-CB 3.91Å; T79-F256 HydrophobicContact CG2-CD1 3.87Å; T79-F256 HydrophobicContact CG2-CD2 3.99Å; T79-F256 HydrophobicContact CG2-CE1 4.45Å; T79-F256 HydrophobicContact CG2-CG 3.61Å; W230-F256 AromaticContact CH2-CD2 3.54Å; W230-F256 HydrophobicContact CH2-CD2 3.54Å; W230-F256 AromaticContact CH2-CE2 3.45Å; W230-F256 HydrophobicContact CH2-CE2 3.45Å; W230-F256 VanDerWaalsContact CH2-CE2 3.45Å; W230-F256 HydrophobicContact CZ2-CD2 4.19Å; W230-F256 AromaticContact CZ2-CE2 3.62Å; W230-F256 HydrophobicContact CZ2-CE2 3.62Å; W230-F256 AromaticContact CZ3-CD2 3.91Å; W230-F256 HydrophobicContact CZ3-CD2 3.91Å; W230-F256 HydrophobicContact CZ3-CE2 4.16Å; W234-F256 HydrophobicContact CH2-CB 4.35Å; W234-F256 HydrophobicContact CZ2-CB 4.1Å; W234-F256 HydrophobicContact CZ2-CD2 4.48Å; V252-F256 WeakPolarHBondContact O-CB 3.39Å; V252-F256 PolarHBondContact O-N 3.21Å; G253-F256 PolarHBondContact O-N 3.05Å; C254-F256 PolarHBondContact O-N 3.36Å; F256-L259 PolarHBondContact O-N 3.4Å; F256-S260 WeakPolarHBondContact O-CB 3.49Å; F256-S260 PolarHBondContact O-N 3.18Å; F256-S260 PolarHBondContact O-OG 3.45Å
257Y98Very high94.5Very high4 Ų413.5 Ų13.52%0.0167%0.069CC..Hα-helixtrans-69.2-38.9-178-70.8-59.1000112.1P24 L77 G253 S260 A261 F564 Q565 V566 M583P24-Y257 HydrophobicContact CG-CD1 3.85Å; P24-Y257 HydrophobicContact CG-CE1 3.62Å; L77-Y257 WeakPolarHBondContact CD2-OH 3.4Å; G253-Y257 WeakPolarHBondContact O-CD2 3.45Å; G253-Y257 PolarHBondContact O-N 3.19Å; Y257-S260 PolarHBondContact O-N 3.13Å; Y257-A261 PolarHBondContact O-N 3.4Å; Y257-F564 WeakPolarHBondContact CE2-O 3.43Å; Y257-F564 PolarHBondContact OH-O 3.24Å; Y257-Q565 WeakPolarHBondContact CE2-O 3.24Å; Y257-V566 HydrophobicContact CE2-CG2 4.4Å; Y257-V566 WeakPolarHBondContact OH-CG2 3.24Å; Y257-M583 HydrophobicContact CD2-CE 3.6Å; Y257-M583 HydrophobicContact CD2-SD 4.08Å; Y257-M583 HydrophobicContact CE2-CE 4.44Å; Y257-M583 HydrophobicContact CG-CE 3.98Å; Y257-M583 HydrophobicContact CG-SD 4.25Å
258L97.1Very high93.3Very high3 Ų315.6 Ų15.62%0.0168%0.082CC..Hα-helixtrans-61.9-50.9173.9-172.662.3000110.6C254 S260 A261 F262 M301 I305 L587C254-L258 VanDerWaalsContact O-CB 3.23Å; C254-L258 WeakPolarHBondContact O-CB 3.47Å; C254-L258 PolarHBondContact O-N 3.24Å; L258-S260 VanDerWaalsContact C-N 3.28Å; L258-S260 PolarHBondContact O-N 2.9Å; L258-A261 WeakPolarHBondContact O-CB 3.21Å; L258-A261 PolarHBondContact O-N 3.01Å; L258-F262 HydrophobicContact CD1-CE2 4.16Å; L258-F262 HydrophobicContact CG-CE2 4.36Å; L258-F262 VanDerWaalsContact O-CD2 3.31Å; L258-F262 WeakPolarHBondContact O-CD2 3.45Å; L258-M301 HydrophobicContact CD1-CB 3.83Å; L258-M301 HydrophobicContact CD1-CG 3.72Å; L258-M301 HydrophobicContact CD1-SD 4.44Å; L258-I305 HydrophobicContact CD2-CD1 3.9Å; L258-I305 HydrophobicContact CD2-CG1 3.83Å; L258-I305 HydrophobicContact CG-CD1 3.97Å; L258-I305 HydrophobicContact CG-CG1 4.08Å; L258-L587 HydrophobicContact CD2-CD1 4.04Å
259L96.2Very high91.6Very high0 Ų020.1 Ų20.10%011%0.113CC..Hα-helixtrans-62.7-33.1179.1-72.6173.1000113.1R103 W230 L233 W234 M255 F256 A261 F262 I305 Y309R103-L259 VanDerWaalsContact CZ-O 3.29Å; R103-L259 PolarHBondContact NH1-O 3.29Å; R103-L259 PolarHBondContact NH2-O 2.72Å; W230-L259 HydrophobicContact CZ3-CB 4.35Å; L233-L259 HydrophobicContact CD1-CD2 4.34Å; L233-L259 HydrophobicContact CD2-CB 3.83Å; L233-L259 HydrophobicContact CD2-CD1 4.01Å; L233-L259 HydrophobicContact CD2-CD2 4.11Å; L233-L259 HydrophobicContact CD2-CG 4.2Å; L233-L259 HydrophobicContact CG-CD1 4.25Å; L233-L259 HydrophobicContact CG-CD2 4.24Å; W234-L259 HydrophobicContact CE3-CD1 4.34Å; W234-L259 HydrophobicContact CH2-CD1 4.27Å; W234-L259 HydrophobicContact CZ3-CD1 4.13Å; M255-L259 HydrophobicContact CE-CD1 4.28Å; M255-L259 WeakPolarHBondContact O-CB 3.39Å; M255-L259 WeakPolarHBondContact O-CD1 3.45Å; M255-L259 WeakPolarHBondContact O-CG 3.31Å; M255-L259 PolarHBondContact O-N 3.43Å; F256-L259 PolarHBondContact O-N 3.4Å; L259-A261 PolarHBondContact O-N 3.31Å; L259-F262 PolarHBondContact O-N 2.97Å; L259-I305 HydrophobicContact CD2-CD1 3.94Å; L259-Y309 HydrophobicContact CD2-CD2 4.17Å; L259-Y309 HydrophobicContact CD2-CE2 3.56Å
260S96.1Very high89.9Confident4 Ų420 Ų203%0.02812%0.119CC..Hα-helixtrans-63.7-29.1174.9-64.50000112.7A26 N27 G28 W230 F256 Y257 L258 F262A26-S260 CarbonylContact C-O 3.29Å; A26-S260 WeakPolarHBondContact CB-O 3.5Å; N27-S260 CarbonylContact C-O 3.52Å; N27-S260 WeakPolarHBondContact CA-O 3.32Å; N27-S260 PolarHBondContact N-O 2.98Å; N27-S260 VanDerWaalsContact N-O 3.11Å; G28-S260 PolarHBondContact N-O 3.19Å; W230-S260 WeakPolarHBondContact CH2-OG 3.4Å; F256-S260 WeakPolarHBondContact O-CB 3.49Å; F256-S260 PolarHBondContact O-N 3.18Å; F256-S260 PolarHBondContact O-OG 3.45Å; Y257-S260 PolarHBondContact O-N 3.13Å; L258-S260 VanDerWaalsContact C-N 3.28Å; L258-S260 PolarHBondContact O-N 2.9Å; S260-F262 VanDerWaalsContact C-N 3.27Å; S260-F262 PolarHBondContact O-N 2.73Å
261A95.2Very high88.7Confident6 Ų625.8 Ų25.85%0.0514%0.142CC..THydrogen-bonded Turntrans-78.7-8.1179.700000113.8G28 Y257 L258 L259 L275 L580G28-A261 WeakPolarHBondContact CA-O 3.11Å; Y257-A261 PolarHBondContact O-N 3.4Å; L258-A261 WeakPolarHBondContact O-CB 3.21Å; L258-A261 PolarHBondContact O-N 3.01Å; L259-A261 PolarHBondContact O-N 3.31Å; A261-L275 HydrophobicContact CB-CD2 3.64Å; A261-L580 HydrophobicContact CB-CD1 3.65Å
262F94.8Very high88.3Confident0 Ų026.6 Ų26.60%015%0.145CC..SBendtrans-101.3153.2178.9-81.4-94.9000113.2N27 G28 R103 L258 L259 S260 F272 L275 I305 L312 V316N27-F262 CarbonylContact C-O 3.6Å; G28-F262 VanDerWaalsContact CA-C 3.45Å; G28-F262 WeakPolarHBondContact CA-O 3.24Å; G28-F262 PolarHBondContact N-O 2.87Å; R103-F262 PolarHBondContact NH2-O 3.48Å; L258-F262 HydrophobicContact CD1-CE2 4.16Å; L258-F262 HydrophobicContact CG-CE2 4.36Å; L258-F262 VanDerWaalsContact O-CD2 3.31Å; L258-F262 WeakPolarHBondContact O-CD2 3.45Å; L259-F262 PolarHBondContact O-N 2.97Å; S260-F262 VanDerWaalsContact C-N 3.27Å; S260-F262 PolarHBondContact O-N 2.73Å; F262-F272 HydrophobicContact CD1-CZ 4.3Å; F262-F272 HydrophobicContact CE1-CZ 4.41Å; F262-L275 HydrophobicContact CD2-CD2 4.4Å; F262-L275 HydrophobicContact CE1-CD1 4.41Å; F262-L275 HydrophobicContact CE2-CD1 3.53Å; F262-L275 HydrophobicContact CE2-CD2 4.17Å; F262-L275 HydrophobicContact CE2-CG 4.39Å; F262-L275 HydrophobicContact CZ-CD1 3.5Å; F262-L275 HydrophobicContact CZ-CG 4.38Å; F262-I305 HydrophobicContact CD1-CG2 4.31Å; F262-I305 HydrophobicContact CD2-CD1 4.14Å; F262-I305 HydrophobicContact CD2-CG1 4.29Å; F262-I305 HydrophobicContact CE1-CB 4.48Å; F262-I305 HydrophobicContact CE1-CG2 3.74Å; F262-I305 HydrophobicContact CE2-CB 4.3Å; F262-I305 HydrophobicContact CE2-CD1 3.86Å; F262-I305 HydrophobicContact CE2-CG1 3.52Å; F262-I305 HydrophobicContact CE2-CG2 4.21Å; F262-I305 HydrophobicContact CZ-CB 3.91Å; F262-I305 HydrophobicContact CZ-CD1 4.34Å; F262-I305 HydrophobicContact CZ-CG1 3.64Å; F262-I305 HydrophobicContact CZ-CG2 3.66Å; F262-L312 HydrophobicContact CB-CD1 4Å; F262-L312 HydrophobicContact CB-CD2 4.46Å; F262-L312 HydrophobicContact CD1-CB 3.8Å; F262-L312 HydrophobicContact CD1-CD1 4.35Å; F262-L312 HydrophobicContact CD1-CG 4.45Å; F262-L312 HydrophobicContact CE1-CB 4.21Å; F262-L312 HydrophobicContact CG-CD1 4.33Å; F262-V316 HydrophobicContact CE1-CG2 3.54Å; F262-V316 HydrophobicContact CZ-CG2 3.99Å
263P92.8Very high87.9Confident10 Ų1026.8 Ų26.87%0.06515%0.148CC..  trans-64.1174.7177.826.9-34.4000112.6R103 F272 L312R103-P263 PolarHBondContact NH2-O 3.03Å; P263-F272 HydrophobicContact CG-CD2 4.11Å; P263-F272 HydrophobicContact CG-CG 4.49Å; P263-L312 HydrophobicContact CG-CD2 4.01Å
264S91.7Very high87.7Confident3 Ų327.2 Ų27.22%0.02115%0.152CC..  trans-62.7136.4170.8179.80000110.6R103 H266 D267R103-S264 WeakPolarHBondContact O-CB 3.38Å; S264-H266 PolarHBondContact O-N 3.03Å; S264-H266 VanDerWaalsContact O-N 3.09Å; S264-H266 PolarHBondContact OG-N 3Å; S264-D267 CarbonylContact O-C 3.59Å; S264-D267 VanDerWaalsContact O-C 3.29Å; S264-D267 PolarHBondContact O-N 3.47Å; S264-D267 VanDerWaalsContact O-N 3.11Å
265I90.5Very high87.6Confident25 Ų2527.4 Ų27.413%0.12815%0.153CC..THydrogen-bonded Turntrans-65.2-11.6173.861.2172.1000113.4L233 Y309 L312L233-I265 HydrophobicContact CD1-CG2 3.73Å; I265-Y309 HydrophobicContact CG2-CD1 4.1Å; I265-Y309 HydrophobicContact CG2-CE1 4.27Å; I265-L312 HydrophobicContact CG2-CD1 3.9Å; I265-L312 HydrophobicContact CG2-CD2 4.15Å; I265-L312 HydrophobicContact CG2-CG 4.06Å
266H86.7Confident87.6Confident103 Ų10327.2 Ų27.248%0.47715%0.152SC..THydrogen-bonded Turntrans-99.1-13.9177.2-61-72.1000113.5F104 E232 S264F104-H266 HydrophobicContact CD2-CB 4.36Å; F104-H266 AromaticContact CD2-CD2 3.72Å; F104-H266 HydrophobicContact CE2-CB 3.66Å; F104-H266 AromaticContact CE2-CD2 3.46Å; F104-H266 VanDerWaalsContact CE2-CD2 3.46Å; F104-H266 WeakPolarHBondContact CE2-CD2 3.34Å; F104-H266 AromaticContact CE2-CG 3.63Å; F104-H266 HydrophobicContact CZ-CB 4.16Å; E232-H266 IonicContact OE2-CD2 3.46Å; E232-H266 IonicContact OE2-CE1 3.55Å; E232-H266 IonicContact OE2-NE2 2.8Å; E232-H266 PolarHBondContact OE2-NE2 3.29Å; S264-H266 PolarHBondContact O-N 3.03Å; S264-H266 VanDerWaalsContact O-N 3.09Å; S264-H266 PolarHBondContact OG-N 3Å
267D79.4Confident87.5Confident49 Ų4927.2 Ų27.226%0.26215%0.152SC..  trans-140.481.6176-179.220.2000110S264 S269 S270S264-D267 CarbonylContact O-C 3.59Å; S264-D267 VanDerWaalsContact O-C 3.29Å; S264-D267 PolarHBondContact O-N 3.47Å; S264-D267 VanDerWaalsContact O-N 3.11Å; D267-S269 VanDerWaalsContact C-N 3.31Å; D267-S269 PolarHBondContact OD1-N 3.06Å; D267-S269 VanDerWaalsContact OD1-N 3.11Å; D267-S269 PolarHBondContact OD1-OG 3.41Å; D267-S270 PolarHBondContact OD1-N 3.08Å; D267-S270 PolarHBondContact OD2-OG 2.98Å
268T69.3Low87.4Confident45 Ų4527 Ų2728%0.27615%0.151SC..  trans-92.44167.162.70000111.9L312T268-L312 HydrophobicContact CG2-CD2 4.06Å
269S58.8Low87.3Confident112 Ų11227 Ų2778%0.78315%0.152SC*.  trans-82.3-22.7-178.969.80000112.4D267D267-S269 VanDerWaalsContact C-N 3.31Å; D267-S269 PolarHBondContact OD1-N 3.06Å; D267-S269 VanDerWaalsContact OD1-N 3.11Å; D267-S269 PolarHBondContact OD1-OG 3.41Å
270S60.3Low87.1Confident46 Ų4627.5 Ų27.532%0.32216%0.155SC..SBendtrans-64.1136.7167.6-710000111D267 F272D267-S270 PolarHBondContact OD1-N 3.08Å; D267-S270 PolarHBondContact OD2-OG 2.98Å; S270-F272 PolarHBondContact O-N 3.48Å
271Y70.6Confident87Confident122 Ų12227.4 Ų27.448%0.47815%0.154SC..  trans-58.5108.8-177.3-175.9-95000111.3V347Y271-V347 HydrophobicContact CE1-CG1 4.45Å
272F89.4Confident86.9Confident17 Ų1727.2 Ų27.28%0.07515%0.152CC..  trans-83.1120.7175179.1-117.7000110.1F262 P263 S270 G274 L275 V316F262-F272 HydrophobicContact CD1-CZ 4.3Å; F262-F272 HydrophobicContact CE1-CZ 4.41Å; P263-F272 HydrophobicContact CG-CD2 4.11Å; P263-F272 HydrophobicContact CG-CG 4.49Å; S270-F272 PolarHBondContact O-N 3.48Å; F272-G274 VanDerWaalsContact C-N 3.27Å; F272-G274 PolarHBondContact O-N 3Å; F272-L275 HydrophobicContact CE1-CG 4.48Å; F272-L275 HydrophobicContact CE2-CD2 4.33Å; F272-L275 HydrophobicContact CZ-CD2 3.71Å; F272-L275 HydrophobicContact CZ-CG 3.84Å; F272-V316 HydrophobicContact CE1-CG2 4.12Å
273G88.9Confident86.9Confident8 Ų827.2 Ų27.28%0.08215%0.152CC..  trans-85.516.3-174.300000115.6Y319G273-Y319 WeakPolarHBondContact O-CE2 3.38Å
274G93.3Very high87Confident8 Ų826.7 Ų26.78%0.08215%0.149CC..  trans75179.5-175.500000114.6F272F272-G274 VanDerWaalsContact C-N 3.27Å; F272-G274 PolarHBondContact O-N 3Å
275L95.3Very high87.1Confident4 Ų430.9 Ų30.92%0.02117%0.171CC..  trans-111130.7-179-62.1174.4000111.9A261 F262 F272 Q297 M301A261-L275 HydrophobicContact CB-CD2 3.64Å; F262-L275 HydrophobicContact CD2-CD2 4.4Å; F262-L275 HydrophobicContact CE1-CD1 4.41Å; F262-L275 HydrophobicContact CE2-CD1 3.53Å; F262-L275 HydrophobicContact CE2-CD2 4.17Å; F262-L275 HydrophobicContact CE2-CG 4.39Å; F262-L275 HydrophobicContact CZ-CD1 3.5Å; F262-L275 HydrophobicContact CZ-CG 4.38Å; F272-L275 HydrophobicContact CE1-CG 4.48Å; F272-L275 HydrophobicContact CE2-CD2 4.33Å; F272-L275 HydrophobicContact CZ-CD2 3.71Å; F272-L275 HydrophobicContact CZ-CG 3.84Å; L275-Q297 HydrophobicContact CB-CB 4.35Å; L275-Q297 HydrophobicContact CB-CG 4.11Å; L275-Q297 HydrophobicContact CD1-CG 4.36Å; L275-Q297 HydrophobicContact CG-CG 4.44Å; L275-M301 HydrophobicContact CB-CE 4.37Å; L275-M301 HydrophobicContact CB-SD 3.8Å; L275-M301 HydrophobicContact CD1-CB 3.77Å; L275-M301 HydrophobicContact CD1-CG 4.34Å; L275-M301 HydrophobicContact CD1-SD 3.8Å; L275-M301 HydrophobicContact CG-SD 4.41Å
276S96.7Very high87.1Confident1 Ų132.5 Ų32.51%0.00719%0.194CC..  trans-93.5150.8170.1-171.70000111.5G278 G279 G291 H292S276-G278 PolarHBondContact O-N 3.15Å; S276-G279 PolarHBondContact O-N 2.96Å; S276-G291 VanDerWaalsContact CB-O 3.29Å; S276-G291 WeakPolarHBondContact CB-O 3.41Å; S276-G291 WeakPolarHBondContact OG-CA 3.32Å; S276-G291 PolarHBondContact OG-O 3.36Å; S276-H292 WeakPolarHBondContact CA-O 3.28Å; S276-H292 WeakPolarHBondContact CB-O 3.03Å; S276-H292 PolarHBondContact OG-O 3.29Å
277P96.9Very high87.4Confident1 Ų131.6 Ų31.61%0.00619%0.19CC..THydrogen-bonded Turntrans-52.2-36.8170.8-27.234.9000113.4G279 Y289 H292 F294 D296 F579 L580 T581P277-G279 VanDerWaalsContact C-N 3.31Å; P277-G279 PolarHBondContact O-N 3.42Å; P277-Y289 HydrophobicContact CB-CD2 3.66Å; P277-Y289 HydrophobicContact CB-CE2 3.67Å; P277-Y289 HydrophobicContact CG-CD2 3.97Å; P277-Y289 HydrophobicContact CG-CE2 4.21Å; P277-Y289 HydrophobicContact CG-CG 4.48Å; P277-H292 WeakPolarHBondContact CD-O 3.49Å; P277-F294 HydrophobicContact CG-CB 4.44Å; P277-F294 HydrophobicContact CG-CD2 3.73Å; P277-F294 HydrophobicContact CG-CE2 4.23Å; P277-F294 HydrophobicContact CG-CG 4.22Å; P277-D296 HydrophobicContact CG-CB 4.17Å; P277-F579 HydrophobicContact CB-CD2 4.18Å; P277-F579 HydrophobicContact CB-CE2 3.9Å; P277-F579 CarbonylContact O-C 3.48Å; P277-F579 WeakPolarHBondContact O-CA 3.48Å; P277-L580 PolarHBondContact O-N 2.87Å; P277-T581 WeakPolarHBondContact CB-OG1 3.46Å
278G94.9Very high88Confident0 Ų030.5 Ų30.50%018%0.184CC..THydrogen-bonded Turntrans-832.4177.400000115.5S276 N282 N578S276-G278 PolarHBondContact O-N 3.15Å; G278-N282 PolarHBondContact O-ND2 3.4Å; G278-N578 CarbonylContact C-O 3.58Å; G278-N578 PolarHBondContact O-ND2 3.25Å
279G94.6Very high89.3Confident2 Ų231.2 Ų31.22%0.02118%0.182CC..  trans71-158.9-172.100000113.8S276 P277 L580S276-G279 PolarHBondContact O-N 2.96Å; P277-G279 VanDerWaalsContact C-N 3.31Å; P277-G279 PolarHBondContact O-N 3.42Å; G279-L580 VanDerWaalsContact CA-CD1 3.48Å
280L93.8Very high91.1Very high12 Ų1228.9 Ų28.96%0.06316%0.156CC..SBendtrans-95.9-23.7-171.1-175.456.4000113.8A26 L30 H40 N282A26-L280 HydrophobicContact CB-CB 4.26Å; A26-L280 HydrophobicContact CB-CD2 4.35Å; L30-L280 VanDerWaalsContact C-CD2 3.49Å; L30-L280 WeakPolarHBondContact O-CD2 3.44Å; H40-L280 WeakPolarHBondContact CB-O 3.43Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 3.39Å
281S93.8Very high92.8Very high2 Ų226.7 Ų26.71%0.01414%0.141CC..SBendtrans-81.7-7.1-174.9-54.20000113.7P24 L25 G31 W32 H40P24-S281 WeakPolarHBondContact CB-OG 3.44Å; L25-S281 PolarHBondContact O-OG 3.49Å; G31-S281 WeakPolarHBondContact CA-OG 3.34Å; W32-S281 PolarHBondContact N-OG 3.28Å; W32-S281 PolarHBondContact O-OG 3.12Å; H40-S281 PolarHBondContact CE1-O 2.87Å; H40-S281 PolarHBondContact ND1-O 3.13Å; H40-S281 VanDerWaalsContact ND1-O 3.13Å
282N93.4Very high94.1Very high1 Ų120.9 Ų20.91%0.00512%0.118CC..  trans-123.2-179.5179-60.2-49.1000110.3K33 R54 G278 L280 D288 V577K33-N282 VanDerWaalsContact CD-OD1 3.3Å; K33-N282 WeakPolarHBondContact CD-OD1 3.35Å; K33-N282 WeakPolarHBondContact CE-OD1 3.34Å; K33-N282 PolarHBondContact NZ-OD1 3.07Å; R54-N282 VanDerWaalsContact CD-O 3.32Å; R54-N282 WeakPolarHBondContact CD-O 3.41Å; G278-N282 PolarHBondContact O-ND2 3.4Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 3.39Å; N282-D288 HydrophobicContact CB-CB 3.71Å; N282-D288 WeakPolarHBondContact CB-OD2 3.35Å; N282-V577 PolarHBondContact ND2-O 3.47Å
283G94.2Very high94.5Very high0 Ų020 Ų200%011%0.114CC..  trans110.91717400000115.6R54 Q287 W290R54-G283 WeakPolarHBondContact CB-O 3.46Å; R54-G283 PolarHBondContact N-O 3.06Å; G283-Q287 WeakPolarHBondContact CA-O 3.4Å; G283-W290 CarbonylContact O-C 3.56Å; G283-W290 VanDerWaalsContact O-CA 3.28Å; G283-W290 WeakPolarHBondContact O-CA 3.29Å
284G94.2Very high95Very high0 Ų020 Ų200%011%0.112CC..SBendtrans-67.9178.1168.200000112G286 Q287G284-G286 PolarHBondContact O-N 2.86Å; G284-G286 VanDerWaalsContact O-N 3.12Å; G284-Q287 WeakPolarHBondContact O-CB 3.37Å; G284-Q287 PolarHBondContact O-N 3.13Å
285D93.9Very high95.2Very high91 Ų9119.8 Ų19.849%0.48711%0.108SC..THydrogen-bonded Turntrans-47.6117.8178.8-172.513.1000113.2H53 Q287H53-D285 PolarHBondContact CD2-N 3.2Å; H53-D285 VanDerWaalsContact CD2-N 3.25Å; D285-Q287 VanDerWaalsContact C-N 3.32Å; D285-Q287 PolarHBondContact O-N 3.27Å
286G90.8Very high95.4Very high59 Ų5920 Ų2061%0.60811%0.11SC*.THydrogen-bonded Turntrans73.515.9177.800000115G284 W290G284-G286 PolarHBondContact O-N 2.86Å; G284-G286 VanDerWaalsContact O-N 3.12Å; G286-W290 VanDerWaalsContact N-CD1 3.33Å
287Q92.6Very high95.4Very high84 Ų8420 Ų2039%0.39311%0.109SC..SBendtrans-121.5135.7-177.3-59.6-178.112.400111.3G283 G284 D285 Y289 W290G283-Q287 WeakPolarHBondContact CA-O 3.4Å; G284-Q287 WeakPolarHBondContact O-CB 3.37Å; G284-Q287 PolarHBondContact O-N 3.13Å; D285-Q287 VanDerWaalsContact C-N 3.32Å; D285-Q287 PolarHBondContact O-N 3.27Å; Q287-Y289 VanDerWaalsContact C-N 3.3Å; Q287-Y289 PolarHBondContact O-N 2.98Å; Q287-Y289 VanDerWaalsContact O-N 3.09Å; Q287-W290 WeakPolarHBondContact O-CA 3.47Å; Q287-W290 PolarHBondContact O-N 2.78Å
288D93.4Very high95.5Very high26 Ų2620.1 Ų20.114%0.13911%0.11CC..G310 helixtrans4650.3160.8-55.9-63.4000113.9N282 W290 G291 A576 V577N282-D288 HydrophobicContact CB-CB 3.71Å; N282-D288 WeakPolarHBondContact CB-OD2 3.35Å; D288-W290 VanDerWaalsContact C-N 3.29Å; D288-W290 PolarHBondContact O-N 3.25Å; D288-G291 PolarHBondContact O-N 3.12Å; D288-A576 HydrophobicContact CB-CB 4.44Å; D288-A576 WeakPolarHBondContact OD1-CA 3.46Å; D288-V577 PolarHBondContact OD1-N 3.39Å
289Y95.5Very high95.6Very high59 Ų5920.2 Ų20.223%0.23111%0.111CC..G310 helixtrans58.133.2-177.1-49-83.8000115.2P277 Q287 G291 H292 F294 E569 A576 F579P277-Y289 HydrophobicContact CB-CD2 3.66Å; P277-Y289 HydrophobicContact CB-CE2 3.67Å; P277-Y289 HydrophobicContact CG-CD2 3.97Å; P277-Y289 HydrophobicContact CG-CE2 4.21Å; P277-Y289 HydrophobicContact CG-CG 4.48Å; Q287-Y289 VanDerWaalsContact C-N 3.3Å; Q287-Y289 PolarHBondContact O-N 2.98Å; Q287-Y289 VanDerWaalsContact O-N 3.09Å; Y289-G291 PolarHBondContact O-N 2.98Å; Y289-H292 WeakPolarHBondContact O-CB 3.45Å; Y289-H292 PolarHBondContact O-N 2.94Å; Y289-F294 HydrophobicContact CD1-CE1 4.39Å; Y289-F294 HydrophobicContact CD1-CE2 4.28Å; Y289-F294 AromaticContact CD1-CZ 3.75Å; Y289-F294 HydrophobicContact CD1-CZ 3.75Å; Y289-F294 HydrophobicContact CG-CE2 4.04Å; Y289-F294 AromaticContact CG-CZ 3.98Å; Y289-F294 HydrophobicContact CG-CZ 3.98Å; Y289-E569 PolarHBondContact OH-OE1 3.09Å; Y289-E569 PolarHBondContact OH-OE2 3.22Å; Y289-A576 HydrophobicContact CD2-CB 4.02Å; Y289-A576 HydrophobicContact CE2-CB 3.55Å; Y289-F579 HydrophobicContact CE2-CE2 4.09Å
290W97Very high95.8Very high63 Ų6320.3 Ų20.324%0.23911%0.11CC..G310 helixtrans54.517.2177.9-59.8-87.3000113.7H53 R54 G283 G286 Q287 D288 H292 P354H53-W290 WeakPolarHBondContact CA-O 3.01Å; H53-W290 HydrophobicContact CB-CB 3.69Å; H53-W290 HydrophobicContact CB-CG 4.01Å; R54-W290 PolarHBondContact N-O 3.24Å; R54-W290 VanDerWaalsContact N-O 3.12Å; G283-W290 CarbonylContact O-C 3.56Å; G283-W290 VanDerWaalsContact O-CA 3.28Å; G283-W290 WeakPolarHBondContact O-CA 3.29Å; G286-W290 VanDerWaalsContact N-CD1 3.33Å; Q287-W290 WeakPolarHBondContact O-CA 3.47Å; Q287-W290 PolarHBondContact O-N 2.78Å; D288-W290 VanDerWaalsContact C-N 3.29Å; D288-W290 PolarHBondContact O-N 3.25Å; W290-H292 PolarHBondContact O-N 3.48Å; W290-P354 HydrophobicContact CE3-CG 4.22Å; W290-P354 HydrophobicContact CH2-CG 3.72Å; W290-P354 HydrophobicContact CZ2-CG 4.01Å; W290-P354 HydrophobicContact CZ3-CG 3.82Å
291G96.1Very high96Very high0 Ų019.7 Ų19.70%011%0.107CC..G310 helixtrans72.79.8-176.500000114.9Y45 R54 S276 D288 Y289Y45-G291 PolarHBondContact OH-O 2.95Å; R54-G291 VanDerWaalsContact NE-CA 3.33Å; R54-G291 PolarHBondContact NE-O 2.69Å; R54-G291 PolarHBondContact NH2-O 3.5Å; S276-G291 VanDerWaalsContact CB-O 3.29Å; S276-G291 WeakPolarHBondContact CB-O 3.41Å; S276-G291 WeakPolarHBondContact OG-CA 3.32Å; S276-G291 PolarHBondContact OG-O 3.36Å; D288-G291 PolarHBondContact O-N 3.12Å; Y289-G291 PolarHBondContact O-N 2.98Å
292H97.9Very high96.2Very high0 Ų019.7 Ų19.70%011%0.107CC..  trans-66.4159.4179.9-61.6154.6000112.9Y45 C52 S276 P277 Y289 W290 F294 E344 S345Y45-H292 AromaticContact CE1-CD2 3.71Å; C52-H292 PolarHBondContact O-CE1 3.46Å; C52-H292 PolarHBondContact O-NE2 3.45Å; C52-H292 PolarHBondContact SG-NE2 2.85Å; S276-H292 WeakPolarHBondContact CA-O 3.28Å; S276-H292 WeakPolarHBondContact CB-O 3.03Å; S276-H292 PolarHBondContact OG-O 3.29Å; P277-H292 WeakPolarHBondContact CD-O 3.49Å; Y289-H292 WeakPolarHBondContact O-CB 3.45Å; Y289-H292 PolarHBondContact O-N 2.94Å; W290-H292 PolarHBondContact O-N 3.48Å; H292-F294 HydrophobicContact CB-CD2 4.41Å; H292-F294 HydrophobicContact CB-CE2 3.81Å; H292-F294 WeakPolarHBondContact O-CD2 3.46Å; H292-E344 HydrophobicContact CB-CB 4.01Å; H292-E344 IonicContact CE1-OE2 2.69Å; H292-E344 IonicContact CG-OE2 3.72Å; H292-E344 IonicContact ND1-OE2 3.74Å; H292-E344 PolarHBondContact ND1-OE2 3.48Å; H292-S345 WeakPolarHBondContact CA-O 3.45Å
293V97.9Very high96.4Very high0 Ų020 Ų200%011%0.109CC..BIsolated β-bridgetrans-101.8124.6179.3-179.10000109.7Q297 Y319 S345V293-Q297 HydrophobicContact CG1-CB 3.96Å; V293-Q297 HydrophobicContact CG1-CG 4.39Å; V293-Y319 HydrophobicContact CB-CE1 3.98Å; V293-Y319 HydrophobicContact CG1-CD1 4.38Å; V293-Y319 HydrophobicContact CG1-CE1 3.65Å; V293-Y319 HydrophobicContact CG2-CE1 4.13Å; V293-Y319 HydrophobicContact CG2-CE2 4.48Å; V293-S345 PolarHBondContact N-O 3.22Å; V293-S345 WeakPolarHBondContact O-CB 3.4Å; V293-S345 PolarHBondContact O-N 3.46Å
294F98.3Very high96.4Very high7 Ų720.4 Ų20.43%0.03111%0.113CC..  trans-112.7-179.1-176.6-69.4-109.9000110.8P277 Y289 H292 D296 Q297 R320 W343 E344P277-F294 HydrophobicContact CG-CB 4.44Å; P277-F294 HydrophobicContact CG-CD2 3.73Å; P277-F294 HydrophobicContact CG-CE2 4.23Å; P277-F294 HydrophobicContact CG-CG 4.22Å; Y289-F294 HydrophobicContact CD1-CE1 4.39Å; Y289-F294 HydrophobicContact CD1-CE2 4.28Å; Y289-F294 AromaticContact CD1-CZ 3.75Å; Y289-F294 HydrophobicContact CD1-CZ 3.75Å; Y289-F294 HydrophobicContact CG-CE2 4.04Å; Y289-F294 AromaticContact CG-CZ 3.98Å; Y289-F294 HydrophobicContact CG-CZ 3.98Å; H292-F294 HydrophobicContact CB-CD2 4.41Å; H292-F294 HydrophobicContact CB-CE2 3.81Å; H292-F294 WeakPolarHBondContact O-CD2 3.46Å; F294-D296 HydrophobicContact CB-CB 4.13Å; F294-D296 WeakPolarHBondContact CB-OD2 3.19Å; F294-D296 PolarHBondContact O-N 2.57Å; F294-D296 VanDerWaalsContact O-N 3.15Å; F294-Q297 PolarHBondContact O-N 2.89Å; F294-R320 PolarHBondContact O-NH2 2.86Å; F294-W343 HydrophobicContact CD1-CD2 4.31Å; F294-W343 AromaticContact CD1-CE2 3.82Å; F294-W343 HydrophobicContact CD1-CZ2 4.03Å; F294-W343 AromaticContact CD1-NE1 3.94Å; F294-W343 AromaticContact CE1-CE2 4Å; F294-W343 HydrophobicContact CE1-CZ2 4.39Å; F294-W343 AromaticContact CE1-NE1 3.64Å; F294-E344 HydrophobicContact CD1-CG 4.18Å; F294-E344 HydrophobicContact CE1-CG 3.41Å; F294-E344 VanDerWaalsContact CE1-CG 3.41Å; F294-E344 HydrophobicContact CE2-CG 4.11Å; F294-E344 HydrophobicContact CZ-CB 4.31Å; F294-E344 HydrophobicContact CZ-CG 3.36Å
295W98.1Very high96.5Very high3 Ų320.5 Ų20.51%0.01111%0.114CC..THydrogen-bonded Turntrans-55.6-23.2166.573.4-61.3000112.3Q297 D298 V299 W300 W343 H364 I365 D368 P423 Y435 M499W295-Q297 PolarHBondContact O-N 3.15Å; W295-Q297 VanDerWaalsContact O-N 3.15Å; W295-D298 PolarHBondContact O-N 2.99Å; W295-V299 HydrophobicContact CE3-CB 4.07Å; W295-V299 HydrophobicContact CE3-CG1 4.47Å; W295-V299 HydrophobicContact CE3-CG2 3.56Å; W295-V299 HydrophobicContact CZ3-CB 4.32Å; W295-V299 HydrophobicContact CZ3-CG1 4.22Å; W295-V299 HydrophobicContact CZ3-CG2 4.05Å; W295-V299 PolarHBondContact O-N 2.89Å; W295-W300 AromaticContact CH2-CZ2 3.65Å; W295-W300 HydrophobicContact CH2-CZ2 3.65Å; W295-W300 HydrophobicContact CZ2-CZ2 4.17Å; W295-W300 AromaticContact CZ2-NE1 3.88Å; W295-W300 HydrophobicContact CZ3-CZ2 4.18Å; W295-W343 AromaticContact CD1-CH2 3.27Å; W295-W343 AromaticContact CD1-CZ3 3.3Å; W295-W343 HydrophobicContact CG-CH2 4.25Å; W295-W343 AromaticContact CG-CZ3 3.94Å; W295-W343 HydrophobicContact CG-CZ3 3.94Å; W295-W343 AromaticContact NE1-CH2 3.23Å; W295-W343 AromaticContact NE1-CZ3 3.72Å; W295-H364 AromaticContact CD2-CE1 3.53Å; W295-H364 AromaticContact CE2-CE1 3.85Å; W295-H364 AromaticContact CE3-CE1 3.55Å; W295-H364 AromaticContact CE3-ND1 3.87Å; W295-H364 AromaticContact CG-CE1 3.97Å; W295-H364 AromaticContact CZ3-CE1 3.9Å; W295-I365 HydrophobicContact CB-CB 4.13Å; W295-I365 HydrophobicContact CB-CD1 3.91Å; W295-I365 HydrophobicContact CB-CG1 3.79Å; W295-I365 VanDerWaalsContact N-CD1 3.34Å; W295-D368 HydrophobicContact CB-CB 4.25Å; W295-P423 HydrophobicContact CH2-CB 4.09Å; W295-P423 HydrophobicContact CH2-CG 4.39Å; W295-P423 HydrophobicContact CZ2-CB 4.49Å; W295-Y435 HydrophobicContact CZ3-CE1 4.44Å; W295-M499 HydrophobicContact CH2-CE 3.75Å; W295-M499 HydrophobicContact CH2-SD 4.34Å; W295-M499 HydrophobicContact CZ3-CE 3.85Å; W295-M499 HydrophobicContact CZ3-SD 4.31Å
296D98.4Very high96.6Very high9 Ų916.2 Ų16.25%0.0489%0.091CC..Hα-helixtrans-50.2-40.2176.1-63.4-120.1000113.7P277 F294 D298 W300 M301 T581P277-D296 HydrophobicContact CG-CB 4.17Å; F294-D296 HydrophobicContact CB-CB 4.13Å; F294-D296 WeakPolarHBondContact CB-OD2 3.19Å; F294-D296 PolarHBondContact O-N 2.57Å; F294-D296 VanDerWaalsContact O-N 3.15Å; D296-D298 PolarHBondContact O-N 3.45Å; D296-W300 VanDerWaalsContact CA-CD1 3.42Å; D296-W300 WeakPolarHBondContact O-CA 3.29Å; D296-W300 WeakPolarHBondContact O-CB 3.17Å; D296-W300 PolarHBondContact O-N 3.18Å; D296-M301 VanDerWaalsContact C-CE 3.41Å; D296-M301 HydrophobicContact CB-CE 3.57Å; D296-M301 WeakPolarHBondContact O-CE 3.18Å; D296-M301 PolarHBondContact O-N 3.37Å; D296-T581 WeakPolarHBondContact CB-OG1 3.37Å; D296-T581 WeakPolarHBondContact OD1-CB 3.31Å; D296-T581 WeakPolarHBondContact OD1-CG2 3.44Å; D296-T581 PolarHBondContact OD1-OG1 3.17Å
297Q98.1Very high96.8Very high0 Ų013.4 Ų13.40%06%0.062CC..Iπ-helixtrans-54.1-48.4177175.9-176.8-9600110.3L275 V293 F294 W295 Y302 V316L275-Q297 HydrophobicContact CB-CB 4.35Å; L275-Q297 HydrophobicContact CB-CG 4.11Å; L275-Q297 HydrophobicContact CD1-CG 4.36Å; L275-Q297 HydrophobicContact CG-CG 4.44Å; V293-Q297 HydrophobicContact CG1-CB 3.96Å; V293-Q297 HydrophobicContact CG1-CG 4.39Å; F294-Q297 PolarHBondContact O-N 2.89Å; W295-Q297 PolarHBondContact O-N 3.15Å; W295-Q297 VanDerWaalsContact O-N 3.15Å; Q297-Y302 WeakPolarHBondContact O-CB 3.47Å; Q297-Y302 PolarHBondContact O-N 3.49Å; Q297-V316 VanDerWaalsContact CD-CG1 3.44Å; Q297-V316 HydrophobicContact CG-CG1 3.53Å; Q297-V316 VanDerWaalsContact NE2-CG1 3.3Å
298D98.3Very high97Very high5 Ų59.5 Ų9.53%0.0274%0.044CC..Iπ-helixtrans-84.5-32.6-168-52-58.2000111.9W295 D296 Y302 R320 V369 A372W295-D298 PolarHBondContact O-N 2.99Å; D296-D298 PolarHBondContact O-N 3.45Å; D298-Y302 WeakPolarHBondContact O-CB 3.43Å; D298-R320 IonicContact OD1-NE 3.51Å; D298-R320 IonicContact OD2-CZ 2.84Å; D298-R320 VanDerWaalsContact OD2-CZ 3.29Å; D298-R320 IonicContact OD2-NE 3.71Å; D298-R320 PolarHBondContact OD2-NE 2.76Å; D298-R320 VanDerWaalsContact OD2-NE 3.12Å; D298-R320 IonicContact OD2-NH2 3.69Å; D298-R320 PolarHBondContact OD2-NH2 3.25Å; D298-V369 WeakPolarHBondContact OD2-CG2 3.49Å; D298-A372 HydrophobicContact CB-CB 4.04Å
299V97.9Very high97.2Very high2 Ų28.6 Ų8.61%0.0124%0.039CC..Iπ-helixtrans-94.2-44.5-177.9-177.60000112.8W295 P303 D368 P503 Q588W295-V299 HydrophobicContact CE3-CB 4.07Å; W295-V299 HydrophobicContact CE3-CG1 4.47Å; W295-V299 HydrophobicContact CE3-CG2 3.56Å; W295-V299 HydrophobicContact CZ3-CB 4.32Å; W295-V299 HydrophobicContact CZ3-CG1 4.22Å; W295-V299 HydrophobicContact CZ3-CG2 4.05Å; W295-V299 PolarHBondContact O-N 2.89Å; V299-P303 WeakPolarHBondContact O-CD 3.44Å; V299-P303 VanDerWaalsContact O-CG 3.29Å; V299-P303 WeakPolarHBondContact O-CG 3.26Å; V299-D368 HydrophobicContact CG2-CB 3.57Å; V299-D368 WeakPolarHBondContact CG2-OD1 3.43Å; V299-P503 HydrophobicContact CG1-CG 4.16Å; V299-Q588 PolarHBondContact O-NE2 2.96Å
300W97.8Very high97.1Very high3 Ų37.2 Ų7.21%0.0114%0.037CC..Iπ-helixtrans-96.5-47-169.3-52.7126.6000112.9W295 D296 A495 M499 M531 M535 T581 G584 Q588W295-W300 AromaticContact CH2-CZ2 3.65Å; W295-W300 HydrophobicContact CH2-CZ2 3.65Å; W295-W300 HydrophobicContact CZ2-CZ2 4.17Å; W295-W300 AromaticContact CZ2-NE1 3.88Å; W295-W300 HydrophobicContact CZ3-CZ2 4.18Å; D296-W300 VanDerWaalsContact CA-CD1 3.42Å; D296-W300 WeakPolarHBondContact O-CA 3.29Å; D296-W300 WeakPolarHBondContact O-CB 3.17Å; D296-W300 PolarHBondContact O-N 3.18Å; W300-A495 HydrophobicContact CH2-CB 4.48Å; W300-M499 HydrophobicContact CH2-SD 3.45Å; W300-M499 WeakPolarHBondContact CH2-SD 3.28Å; W300-M499 HydrophobicContact CZ2-SD 3.93Å; W300-M499 HydrophobicContact CZ3-SD 4.34Å; W300-M531 HydrophobicContact CD2-CB 4.06Å; W300-M531 HydrophobicContact CD2-CG 3.9Å; W300-M531 HydrophobicContact CE3-CB 4.14Å; W300-M531 HydrophobicContact CE3-CG 4.29Å; W300-M531 HydrophobicContact CG-CB 4.49Å; W300-M531 HydrophobicContact CG-CG 4.42Å; W300-M531 HydrophobicContact CH2-CG 4.08Å; W300-M531 HydrophobicContact CZ2-CG 3.67Å; W300-M531 HydrophobicContact CZ3-CB 4.41Å; W300-M531 HydrophobicContact CZ3-CG 4.38Å; W300-M535 HydrophobicContact CE3-CE 4.24Å; W300-M535 HydrophobicContact CH2-CG 3.66Å; W300-M535 HydrophobicContact CH2-SD 4.35Å; W300-M535 HydrophobicContact CZ3-CE 3.69Å; W300-M535 HydrophobicContact CZ3-CG 3.44Å; W300-M535 VanDerWaalsContact CZ3-CG 3.44Å; W300-M535 HydrophobicContact CZ3-SD 3.65Å; W300-T581 HydrophobicContact CB-CG2 4.43Å; W300-T581 VanDerWaalsContact CD1-CG2 3.5Å; W300-T581 HydrophobicContact CG-CG2 4.04Å; W300-G584 CarbonylContact O-C 3.5Å; W300-G584 VanDerWaalsContact O-CA 3.24Å; W300-G584 WeakPolarHBondContact O-CA 2.95Å; W300-Q588 VanDerWaalsContact C-NE2 3.34Å; W300-Q588 VanDerWaalsContact CA-NE2 3.33Å; W300-Q588 PolarHBondContact O-NE2 2.77Å
301M98.1Very high96.9Very high0 Ų010.2 Ų10.20%05%0.051CC..Iπ-helixtrans-88.5-40.6-173.6-72.8168.6-92.500112.6L258 L275 D296 L580L258-M301 HydrophobicContact CD1-CB 3.83Å; L258-M301 HydrophobicContact CD1-CG 3.72Å; L258-M301 HydrophobicContact CD1-SD 4.44Å; L275-M301 HydrophobicContact CB-CE 4.37Å; L275-M301 HydrophobicContact CB-SD 3.8Å; L275-M301 HydrophobicContact CD1-CB 3.77Å; L275-M301 HydrophobicContact CD1-CG 4.34Å; L275-M301 HydrophobicContact CD1-SD 3.8Å; L275-M301 HydrophobicContact CG-SD 4.41Å; D296-M301 VanDerWaalsContact C-CE 3.41Å; D296-M301 HydrophobicContact CB-CE 3.57Å; D296-M301 WeakPolarHBondContact O-CE 3.18Å; D296-M301 PolarHBondContact O-N 3.37Å; M301-L580 HydrophobicContact CG-CB 4.22Å; M301-L580 HydrophobicContact SD-CB 3.59Å; M301-L580 VanDerWaalsContact SD-CB 3.59Å; M301-L580 HydrophobicContact SD-CD1 4.24Å
302Y98.1Very high96.8Very high1 Ų110.2 Ų10.20%0.0045%0.051CC..Hα-helixtrans-63.1-45.2-172.9172.9-94.6000115.2Q297 D298 G304 I305 A306 A313 V316 L317 A372 H375 Y376Q297-Y302 WeakPolarHBondContact O-CB 3.47Å; Q297-Y302 PolarHBondContact O-N 3.49Å; D298-Y302 WeakPolarHBondContact O-CB 3.43Å; Y302-G304 PolarHBondContact O-N 2.98Å; Y302-I305 PolarHBondContact O-N 3.38Å; Y302-A306 HydrophobicContact CD1-CB 4.34Å; Y302-A306 HydrophobicContact CE1-CB 3.88Å; Y302-A306 HydrophobicContact CE2-CB 4.31Å; Y302-A306 PolarHBondContact O-N 3.27Å; Y302-A313 HydrophobicContact CD2-CB 4.31Å; Y302-A313 HydrophobicContact CE2-CB 3.6Å; Y302-V316 HydrophobicContact CD2-CB 3.86Å; Y302-V316 HydrophobicContact CD2-CG1 3.81Å; Y302-V316 HydrophobicContact CD2-CG2 4.09Å; Y302-V316 HydrophobicContact CE2-CB 4.19Å; Y302-V316 HydrophobicContact CE2-CG1 4.44Å; Y302-L317 HydrophobicContact CE2-CD2 4.05Å; Y302-L317 HydrophobicContact CE2-CG 4.28Å; Y302-A372 HydrophobicContact CD1-CB 3.7Å; Y302-A372 HydrophobicContact CE1-CB 3.61Å; Y302-A372 VanDerWaalsContact CE1-O 3.3Å; Y302-A372 WeakPolarHBondContact CE1-O 3.32Å; Y302-A372 HydrophobicContact CE2-CB 4.48Å; Y302-A372 HydrophobicContact CG-CB 4.21Å; Y302-A372 PolarHBondContact OH-O 2.89Å; Y302-H375 HydrophobicContact CE1-CB 4.26Å; Y302-H375 AromaticContact CE1-ND1 3.75Å; Y302-Y376 VanDerWaalsContact OH-CB 3.3Å; Y302-Y376 WeakPolarHBondContact OH-CB 3.3Å
303P96.8Very high96.7Very high9 Ų910.2 Ų10.26%0.0585%0.051CC..Hα-helixtrans-59.3-42-171.1-29.137.7000114.1V299 I305 L307 F592V299-P303 WeakPolarHBondContact O-CD 3.44Å; V299-P303 VanDerWaalsContact O-CG 3.29Å; V299-P303 WeakPolarHBondContact O-CG 3.26Å; P303-I305 VanDerWaalsContact C-N 3.34Å; P303-I305 PolarHBondContact O-N 3.03Å; P303-L307 PolarHBondContact O-N 2.77Å; P303-F592 HydrophobicContact CB-CE2 3.81Å; P303-F592 HydrophobicContact CB-CZ 3.87Å
304G94.9Very high96.6Very high8 Ų812.9 Ų12.98%0.0826%0.062CC..Hα-helixtrans-63.9-39.3176.700000112.2Y302 L307 F308Y302-G304 PolarHBondContact O-N 2.98Å; G304-L307 WeakPolarHBondContact O-CB 3.42Å; G304-L307 PolarHBondContact O-N 3.12Å; G304-F308 WeakPolarHBondContact O-CD2 3.36Å
305I96.3Very high96.4Very high1 Ų112.7 Ų12.71%0.0056%0.061CC..Hα-helixtrans-73.6-39.8-179.9-63-71.1000111.7L258 L259 F262 Y302 P303 L307 F308 Y309 L312L258-I305 HydrophobicContact CD2-CD1 3.9Å; L258-I305 HydrophobicContact CD2-CG1 3.83Å; L258-I305 HydrophobicContact CG-CD1 3.97Å; L258-I305 HydrophobicContact CG-CG1 4.08Å; L259-I305 HydrophobicContact CD2-CD1 3.94Å; F262-I305 HydrophobicContact CD1-CG2 4.31Å; F262-I305 HydrophobicContact CD2-CD1 4.14Å; F262-I305 HydrophobicContact CD2-CG1 4.29Å; F262-I305 HydrophobicContact CE1-CB 4.48Å; F262-I305 HydrophobicContact CE1-CG2 3.74Å; F262-I305 HydrophobicContact CE2-CB 4.3Å; F262-I305 HydrophobicContact CE2-CD1 3.86Å; F262-I305 HydrophobicContact CE2-CG1 3.52Å; F262-I305 HydrophobicContact CE2-CG2 4.21Å; F262-I305 HydrophobicContact CZ-CB 3.91Å; F262-I305 HydrophobicContact CZ-CD1 4.34Å; F262-I305 HydrophobicContact CZ-CG1 3.64Å; F262-I305 HydrophobicContact CZ-CG2 3.66Å; Y302-I305 PolarHBondContact O-N 3.38Å; P303-I305 VanDerWaalsContact C-N 3.34Å; P303-I305 PolarHBondContact O-N 3.03Å; I305-L307 PolarHBondContact O-N 2.82Å; I305-F308 PolarHBondContact O-N 3.12Å; I305-F308 VanDerWaalsContact O-N 3.14Å; I305-Y309 CarbonylContact O-C 3.59Å; I305-Y309 WeakPolarHBondContact O-CA 3.37Å; I305-Y309 PolarHBondContact O-N 2.97Å; I305-L312 HydrophobicContact CG2-CB 3.9Å
306A96.4Very high96.3Very high2 Ų212.5 Ų12.52%0.0176%0.06CC..Hα-helixtrans-58-35.8174.900000112.4Y302 F308 A313 L379Y302-A306 HydrophobicContact CD1-CB 4.34Å; Y302-A306 HydrophobicContact CE1-CB 3.88Å; Y302-A306 HydrophobicContact CE2-CB 4.31Å; Y302-A306 PolarHBondContact O-N 3.27Å; A306-F308 PolarHBondContact O-N 2.91Å; A306-A313 HydrophobicContact CB-CB 3.79Å; A306-L379 HydrophobicContact CB-CD1 3.72Å
307L95.7Very high96.3Very high0 Ų012.1 Ų12.10%06%0.058CC..Hα-helixtrans-67.1-33.7178.1-164.264.7000113.1P303 G304 I305 L379 F592 F597 I622 N623P303-L307 PolarHBondContact O-N 2.77Å; G304-L307 WeakPolarHBondContact O-CB 3.42Å; G304-L307 PolarHBondContact O-N 3.12Å; I305-L307 PolarHBondContact O-N 2.82Å; L307-L379 HydrophobicContact CD1-CD2 4.31Å; L307-F592 HydrophobicContact CD2-CE1 4.26Å; L307-F592 HydrophobicContact CD2-CZ 4.07Å; L307-F597 HydrophobicContact CD2-CD2 4.18Å; L307-I622 HydrophobicContact CD1-CD1 4.15Å; L307-I622 HydrophobicContact CD1-CG2 3.82Å; L307-I622 HydrophobicContact CD2-CD1 3.4Å; L307-I622 HydrophobicContact CG-CD1 3.49Å; L307-I622 VanDerWaalsContact CG-CD1 3.49Å; L307-I622 HydrophobicContact CG-CG2 4.2Å; L307-N623 PolarHBondContact O-N 2.67Å
308F96.7Very high96.2Very high1 Ų115.5 Ų15.50%0.0047%0.074CC..Hα-helixtrans-102.4-30.8-177-65-60.8000114.7V239 M255 G304 I305 A306 L591 V619 R620 I622 N623V239-F308 HydrophobicContact CG2-CE2 4.21Å; V239-F308 HydrophobicContact CG2-CZ 3.82Å; M255-F308 HydrophobicContact CE-CD2 4.03Å; M255-F308 HydrophobicContact CE-CE2 3.89Å; M255-F308 HydrophobicContact SD-CE2 4.45Å; G304-F308 WeakPolarHBondContact O-CD2 3.36Å; I305-F308 PolarHBondContact O-N 3.12Å; I305-F308 VanDerWaalsContact O-N 3.14Å; A306-F308 PolarHBondContact O-N 2.91Å; F308-L591 HydrophobicContact CE2-CD1 3.79Å; F308-L591 HydrophobicContact CE2-CD2 3.97Å; F308-L591 HydrophobicContact CZ-CD1 4.38Å; F308-L591 HydrophobicContact CZ-CD2 3.7Å; F308-V619 HydrophobicContact CE1-CG1 3.81Å; F308-V619 HydrophobicContact CZ-CG1 3.69Å; F308-R620 WeakPolarHBondContact CE1-O 3.14Å; F308-I622 HydrophobicContact CD1-CD1 4.42Å; F308-I622 HydrophobicContact CE1-CD1 3.79Å; F308-I622 HydrophobicContact CZ-CD1 4.29Å; F308-N623 VanDerWaalsContact C-ND2 3.35Å; F308-N623 PolarHBondContact O-ND2 3.23Å
309Y96Very high96.2Very high8 Ų815.5 Ų15.53%0.0317%0.074CC..  trans-140.880.5-171.9-58.9-77.2000111.7L233 Q236 S237 L259 I265 I305 K311 L312 A313L233-Y309 HydrophobicContact CD1-CD1 4.49Å; L233-Y309 HydrophobicContact CD1-CE1 3.71Å; L233-Y309 HydrophobicContact CD1-CE2 4.13Å; L233-Y309 VanDerWaalsContact CD1-CZ 3.49Å; L233-Y309 WeakPolarHBondContact CD1-OH 3.44Å; L233-Y309 WeakPolarHBondContact CG-OH 3.45Å; L233-Y309 PolarHBondContact O-OH 3.24Å; Q236-Y309 HydrophobicContact CB-CE1 3.54Å; Q236-Y309 HydrophobicContact CG-CE1 4.39Å; S237-Y309 VanDerWaalsContact CB-CE2 3.46Å; S237-Y309 VanDerWaalsContact CB-OH 3.22Å; S237-Y309 WeakPolarHBondContact CB-OH 3.29Å; S237-Y309 WeakPolarHBondContact OG-CE2 3.11Å; S237-Y309 PolarHBondContact OG-OH 3.46Å; L259-Y309 HydrophobicContact CD2-CD2 4.17Å; L259-Y309 HydrophobicContact CD2-CE2 3.56Å; I265-Y309 HydrophobicContact CG2-CD1 4.1Å; I265-Y309 HydrophobicContact CG2-CE1 4.27Å; I305-Y309 CarbonylContact O-C 3.59Å; I305-Y309 WeakPolarHBondContact O-CA 3.37Å; I305-Y309 PolarHBondContact O-N 2.97Å; Y309-K311 PolarHBondContact O-N 3.15Å; Y309-L312 HydrophobicContact CD1-CD1 4.34Å; Y309-L312 HydrophobicContact CD2-CD1 4.07Å; Y309-L312 HydrophobicContact CG-CD1 3.81Å; Y309-L312 HydrophobicContact CG-CG 4.32Å; Y309-L312 PolarHBondContact O-N 3.27Å; Y309-A313 PolarHBondContact O-N 2.91Å
310P93.9Very high96.1Very high30 Ų3015.4 Ų15.420%0.1957%0.073CC..Hα-helixtrans-53.1-32.1174.9-29.136.2000113.9R314 Y376 T380 N623P310-R314 WeakPolarHBondContact O-CB 3.38Å; P310-R314 PolarHBondContact O-N 3.32Å; P310-Y376 WeakPolarHBondContact O-CE2 3.32Å; P310-T380 HydrophobicContact CB-CG2 3.88Å; P310-T380 HydrophobicContact CG-CG2 4.34Å; P310-N623 HydrophobicContact CG-CB 3.62Å
311K92.2Very high96.1Very high125 Ų12516.4 Ų16.454%0.5438%0.08SC..Hα-helixtrans-66.1-43.2175.2-69.3-174.4178.6-177.90113.2Y309 R314 S315Y309-K311 PolarHBondContact O-N 3.15Å; K311-R314 WeakPolarHBondContact O-CB 3.34Å; K311-R314 PolarHBondContact O-N 3.48Å; K311-S315 PolarHBondContact O-N 2.81Å; K311-S315 PolarHBondContact O-OG 2.75Å
312L95.2Very high96Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-71.7-37.9178.2-64.5-177.7000111F262 P263 I265 T268 I305 Y309 R314 S315 V316F262-L312 HydrophobicContact CB-CD1 4Å; F262-L312 HydrophobicContact CB-CD2 4.46Å; F262-L312 HydrophobicContact CD1-CB 3.8Å; F262-L312 HydrophobicContact CD1-CD1 4.35Å; F262-L312 HydrophobicContact CD1-CG 4.45Å; F262-L312 HydrophobicContact CE1-CB 4.21Å; F262-L312 HydrophobicContact CG-CD1 4.33Å; P263-L312 HydrophobicContact CG-CD2 4.01Å; I265-L312 HydrophobicContact CG2-CD1 3.9Å; I265-L312 HydrophobicContact CG2-CD2 4.15Å; I265-L312 HydrophobicContact CG2-CG 4.06Å; T268-L312 HydrophobicContact CG2-CD2 4.06Å; I305-L312 HydrophobicContact CG2-CB 3.9Å; Y309-L312 HydrophobicContact CD1-CD1 4.34Å; Y309-L312 HydrophobicContact CD2-CD1 4.07Å; Y309-L312 HydrophobicContact CG-CD1 3.81Å; Y309-L312 HydrophobicContact CG-CG 4.32Å; Y309-L312 PolarHBondContact O-N 3.27Å; L312-R314 VanDerWaalsContact C-N 3.3Å; L312-R314 PolarHBondContact O-N 3.15Å; L312-S315 WeakPolarHBondContact O-CB 3.41Å; L312-S315 PolarHBondContact O-N 3.19Å; L312-S315 VanDerWaalsContact O-N 3.14Å; L312-V316 PolarHBondContact O-N 2.75Å
313A95.7Very high96Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-60.6-40.1172.700000112Y302 A306 Y309 S315 V316 L317 Y376Y302-A313 HydrophobicContact CD2-CB 4.31Å; Y302-A313 HydrophobicContact CE2-CB 3.6Å; A306-A313 HydrophobicContact CB-CB 3.79Å; Y309-A313 PolarHBondContact O-N 2.91Å; A313-S315 VanDerWaalsContact C-N 3.29Å; A313-S315 PolarHBondContact O-N 3Å; A313-V316 VanDerWaalsContact O-CB 3.3Å; A313-V316 WeakPolarHBondContact O-CB 3.28Å; A313-V316 PolarHBondContact O-N 2.92Å; A313-V316 VanDerWaalsContact O-N 3.09Å; A313-L317 PolarHBondContact O-N 3.13Å; A313-Y376 HydrophobicContact CB-CD2 4.36Å; A313-Y376 HydrophobicContact CB-CE2 4.47Å
314R95.4Very high96.1Very high57 Ų5719.1 Ų19.122%0.21511%0.105CC..Hα-helixtrans-57.7-40.5172.9-178.1172.7170.2146.60.6112.3P310 K311 L312 V316 L317 E318 Y376 D382 S384 V385P310-R314 WeakPolarHBondContact O-CB 3.38Å; P310-R314 PolarHBondContact O-N 3.32Å; K311-R314 WeakPolarHBondContact O-CB 3.34Å; K311-R314 PolarHBondContact O-N 3.48Å; L312-R314 VanDerWaalsContact C-N 3.3Å; L312-R314 PolarHBondContact O-N 3.15Å; R314-V316 VanDerWaalsContact C-N 3.26Å; R314-V316 PolarHBondContact O-N 3.34Å; R314-L317 WeakPolarHBondContact O-CB 3.45Å; R314-L317 PolarHBondContact O-N 2.61Å; R314-L317 VanDerWaalsContact O-N 3.09Å; R314-E318 HydrophobicContact CG-CG 4.2Å; R314-E318 WeakPolarHBondContact CG-OE1 3.09Å; R314-E318 IonicContact CZ-OE1 2.7Å; R314-E318 IonicContact NE-OE1 3.24Å; R314-E318 PolarHBondContact NE-OE1 2.9Å; R314-E318 IonicContact NH2-OE1 3.67Å; R314-E318 WeakPolarHBondContact O-CG 3.34Å; R314-E318 PolarHBondContact O-N 3.4Å; R314-Y376 HydrophobicContact CB-CE2 3.92Å; R314-D382 IonicContact NH1-OD2 3.9Å; R314-D382 PolarHBondContact NH1-OD2 3.03Å; R314-S384 PolarHBondContact NH1-OG 2.86Å; R314-V385 HydrophobicContact CG-CG2 3.84Å
315S94.9Very high96.2Very high2 Ų225.2 Ų25.21%0.01414%0.136CC..Hα-helixtrans-61.4-32.4176.4-57.50000113.2K311 L312 A313 E318 Y319K311-S315 PolarHBondContact O-N 2.81Å; K311-S315 PolarHBondContact O-OG 2.75Å; L312-S315 WeakPolarHBondContact O-CB 3.41Å; L312-S315 PolarHBondContact O-N 3.19Å; L312-S315 VanDerWaalsContact O-N 3.14Å; A313-S315 VanDerWaalsContact C-N 3.29Å; A313-S315 PolarHBondContact O-N 3Å; S315-E318 PolarHBondContact O-N 2.8Å; S315-Y319 PolarHBondContact O-N 3.38Å; S315-Y319 VanDerWaalsContact O-N 3.07Å
316V96.6Very high96.2Very high0 Ų025.2 Ų25.20%014%0.136CC..Hα-helixtrans-64-43.8173.2-177.60000111F262 F272 Q297 Y302 L312 A313 R314 Y319 R320F262-V316 HydrophobicContact CE1-CG2 3.54Å; F262-V316 HydrophobicContact CZ-CG2 3.99Å; F272-V316 HydrophobicContact CE1-CG2 4.12Å; Q297-V316 VanDerWaalsContact CD-CG1 3.44Å; Q297-V316 HydrophobicContact CG-CG1 3.53Å; Q297-V316 VanDerWaalsContact NE2-CG1 3.3Å; Y302-V316 HydrophobicContact CD2-CB 3.86Å; Y302-V316 HydrophobicContact CD2-CG1 3.81Å; Y302-V316 HydrophobicContact CD2-CG2 4.09Å; Y302-V316 HydrophobicContact CE2-CB 4.19Å; Y302-V316 HydrophobicContact CE2-CG1 4.44Å; L312-V316 PolarHBondContact O-N 2.75Å; A313-V316 VanDerWaalsContact O-CB 3.3Å; A313-V316 WeakPolarHBondContact O-CB 3.28Å; A313-V316 PolarHBondContact O-N 2.92Å; A313-V316 VanDerWaalsContact O-N 3.09Å; R314-V316 VanDerWaalsContact C-N 3.26Å; R314-V316 PolarHBondContact O-N 3.34Å; V316-Y319 WeakPolarHBondContact O-CB 3.36Å; V316-Y319 PolarHBondContact O-N 3.28Å; V316-R320 PolarHBondContact O-N 3.32Å
317L97.8Very high96.4Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-68.6-39.5177.5-56.3-175.7000111.7Y302 A313 R314 Y319 R320 V321 A372 F373 Y376 V385Y302-L317 HydrophobicContact CE2-CD2 4.05Å; Y302-L317 HydrophobicContact CE2-CG 4.28Å; A313-L317 PolarHBondContact O-N 3.13Å; R314-L317 WeakPolarHBondContact O-CB 3.45Å; R314-L317 PolarHBondContact O-N 2.61Å; R314-L317 VanDerWaalsContact O-N 3.09Å; L317-Y319 VanDerWaalsContact C-N 3.26Å; L317-Y319 PolarHBondContact O-N 3.12Å; L317-R320 PolarHBondContact O-N 3.47Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 2.77Å; L317-A372 HydrophobicContact CD2-CB 3.94Å; L317-F373 HydrophobicContact CB-CD1 4.42Å; L317-F373 HydrophobicContact CB-CE1 3.83Å; L317-F373 HydrophobicContact CB-CE2 4.19Å; L317-F373 HydrophobicContact CB-CZ 3.69Å; L317-F373 HydrophobicContact CD1-CD1 3.92Å; L317-F373 HydrophobicContact CD1-CE1 4.12Å; L317-F373 HydrophobicContact CD1-CG 4.25Å; L317-F373 HydrophobicContact CD2-CD1 4.35Å; L317-F373 HydrophobicContact CD2-CD2 3.76Å; L317-F373 HydrophobicContact CD2-CE1 4.44Å; L317-F373 HydrophobicContact CD2-CE2 3.85Å; L317-F373 HydrophobicContact CD2-CG 4.01Å; L317-F373 HydrophobicContact CD2-CZ 4.2Å; L317-F373 HydrophobicContact CG-CD1 4.46Å; L317-F373 HydrophobicContact CG-CE1 4.35Å; L317-F373 HydrophobicContact CG-CZ 4.37Å; L317-Y376 HydrophobicContact CD1-CD1 4.14Å; L317-Y376 HydrophobicContact CD1-CD2 3.82Å; L317-Y376 HydrophobicContact CD1-CG 3.58Å; L317-V385 HydrophobicContact CD1-CG1 4.11Å
318E96.4Very high96.5Very high71 Ų7129.9 Ų29.933%0.33216%0.156SC..Hα-helixtrans-62.8-32.4176.7-74.1170.8169.800112R314 S315 V321 G322R314-E318 HydrophobicContact CG-CG 4.2Å; R314-E318 WeakPolarHBondContact CG-OE1 3.09Å; R314-E318 IonicContact CZ-OE1 2.7Å; R314-E318 IonicContact NE-OE1 3.24Å; R314-E318 PolarHBondContact NE-OE1 2.9Å; R314-E318 IonicContact NH2-OE1 3.67Å; R314-E318 WeakPolarHBondContact O-CG 3.34Å; R314-E318 PolarHBondContact O-N 3.4Å; S315-E318 PolarHBondContact O-N 2.8Å; E318-V321 PolarHBondContact O-N 2.98Å; E318-G322 PolarHBondContact O-N 2.71Å
319Y96.6Very high96.5Very high5 Ų531.3 Ų31.32%0.0216%0.164CC..Hα-helixtrans-60.6-45.5169.1169-94.8000112.1G273 V293 S315 V316 L317 V321 G322 T323 S345 A346G273-Y319 WeakPolarHBondContact O-CE2 3.38Å; V293-Y319 HydrophobicContact CB-CE1 3.98Å; V293-Y319 HydrophobicContact CG1-CD1 4.38Å; V293-Y319 HydrophobicContact CG1-CE1 3.65Å; V293-Y319 HydrophobicContact CG2-CE1 4.13Å; V293-Y319 HydrophobicContact CG2-CE2 4.48Å; S315-Y319 PolarHBondContact O-N 3.38Å; S315-Y319 VanDerWaalsContact O-N 3.07Å; V316-Y319 WeakPolarHBondContact O-CB 3.36Å; V316-Y319 PolarHBondContact O-N 3.28Å; L317-Y319 VanDerWaalsContact C-N 3.26Å; L317-Y319 PolarHBondContact O-N 3.12Å; Y319-V321 VanDerWaalsContact C-N 3.34Å; Y319-V321 PolarHBondContact O-N 3Å; Y319-G322 PolarHBondContact O-N 3.47Å; Y319-T323 HydrophobicContact CE2-CG2 4.18Å; Y319-T323 PolarHBondContact O-N 3.35Å; Y319-T323 PolarHBondContact O-OG1 2.93Å; Y319-S345 VanDerWaalsContact OH-CB 3.25Å; Y319-S345 WeakPolarHBondContact OH-CB 3.05Å; Y319-S345 PolarHBondContact OH-OG 2.94Å; Y319-A346 PolarHBondContact OH-O 3.46Å
320R97.7Very high96.6Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-65.6-36176.2-65.5-64-171.7-1682.8112.1F294 D298 V316 L317 T323 F341 V369 F373F294-R320 PolarHBondContact O-NH2 2.86Å; D298-R320 IonicContact OD1-NE 3.51Å; D298-R320 IonicContact OD2-CZ 2.84Å; D298-R320 VanDerWaalsContact OD2-CZ 3.29Å; D298-R320 IonicContact OD2-NE 3.71Å; D298-R320 PolarHBondContact OD2-NE 2.76Å; D298-R320 VanDerWaalsContact OD2-NE 3.12Å; D298-R320 IonicContact OD2-NH2 3.69Å; D298-R320 PolarHBondContact OD2-NH2 3.25Å; V316-R320 PolarHBondContact O-N 3.32Å; L317-R320 PolarHBondContact O-N 3.47Å; R320-T323 WeakPolarHBondContact CA-OG1 3.29Å; R320-T323 PolarHBondContact O-N 3.27Å; R320-T323 PolarHBondContact O-OG1 3.17Å; R320-F341 HydrophobicContact CB-CE1 4.13Å; R320-F341 HydrophobicContact CB-CZ 4.23Å; R320-F341 WeakPolarHBondContact O-CE1 3.46Å; R320-V369 HydrophobicContact CB-CG1 4.19Å; R320-V369 HydrophobicContact CG-CG1 4.03Å; R320-V369 HydrophobicContact CG-CG2 4.25Å; R320-F373 HydrophobicContact CB-CE2 4.21Å
321V97.8Very high96.9Very high25 Ų2529.8 Ų29.815%0.15215%0.154CC..Hα-helixtrans-63.9-42.5171.3174.40000111.1L317 E318 Y319 T323 I324 F373 G389 K390 V394L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 2.77Å; E318-V321 PolarHBondContact O-N 2.98Å; Y319-V321 VanDerWaalsContact C-N 3.34Å; Y319-V321 PolarHBondContact O-N 3Å; V321-T323 PolarHBondContact O-N 3.11Å; V321-T323 VanDerWaalsContact O-N 3.11Å; V321-I324 HydrophobicContact CG1-CD1 4.11Å; V321-I324 WeakPolarHBondContact O-CD1 3.4Å; V321-I324 VanDerWaalsContact O-CG1 3.24Å; V321-I324 WeakPolarHBondContact O-CG1 3.44Å; V321-I324 PolarHBondContact O-N 3.41Å; V321-F373 HydrophobicContact CG2-CE1 4.41Å; V321-F373 HydrophobicContact CG2-CZ 4Å; V321-G389 WeakPolarHBondContact CG1-O 3.35Å; V321-G389 WeakPolarHBondContact CG2-O 3.28Å; V321-K390 HydrophobicContact CG1-CB 3.93Å; V321-V394 HydrophobicContact CG2-CG2 3.89Å
322G96.1Very high97.1Very high50 Ų5029.4 Ų29.452%0.51516%0.155SC..Hα-helixtrans-64.2-13.1179.200000114.6E318 Y319E318-G322 PolarHBondContact O-N 2.71Å; Y319-G322 PolarHBondContact O-N 3.47Å
323T97Very high97.2Very high0 Ų036.2 Ų36.20%018%0.184CC..THydrogen-bonded Turntrans-110.59.3-176.547.40000113.7Y319 R320 V321 D325 G326 A327Y319-T323 HydrophobicContact CE2-CG2 4.18Å; Y319-T323 PolarHBondContact O-N 3.35Å; Y319-T323 PolarHBondContact O-OG1 2.93Å; R320-T323 WeakPolarHBondContact CA-OG1 3.29Å; R320-T323 PolarHBondContact O-N 3.27Å; R320-T323 PolarHBondContact O-OG1 3.17Å; V321-T323 PolarHBondContact O-N 3.11Å; V321-T323 VanDerWaalsContact O-N 3.11Å; T323-D325 VanDerWaalsContact C-N 3.3Å; T323-D325 PolarHBondContact O-N 3.48Å; T323-G326 PolarHBondContact O-N 3.36Å; T323-G326 VanDerWaalsContact O-N 3.16Å; T323-A327 PolarHBondContact O-N 3.23Å
324I98Very high97.2Very high17 Ų1739 Ų399%0.08720%0.198CC..Hα-helixtrans-55.5-40.7-179.6-74.4171000112.7V321 G326 A327 K328 L339 E393 V394V321-I324 HydrophobicContact CG1-CD1 4.11Å; V321-I324 WeakPolarHBondContact O-CD1 3.4Å; V321-I324 VanDerWaalsContact O-CG1 3.24Å; V321-I324 WeakPolarHBondContact O-CG1 3.44Å; V321-I324 PolarHBondContact O-N 3.41Å; I324-G326 VanDerWaalsContact C-N 3.32Å; I324-G326 PolarHBondContact O-N 3.16Å; I324-A327 PolarHBondContact O-N 3.32Å; I324-K328 WeakPolarHBondContact O-CB 3.24Å; I324-K328 PolarHBondContact O-N 3.45Å; I324-L339 HydrophobicContact CG1-CD1 4.14Å; I324-L339 HydrophobicContact CG2-CD1 3.95Å; I324-L339 HydrophobicContact CG2-CD2 3.86Å; I324-E393 HydrophobicContact CD1-CB 3.96Å; I324-V394 HydrophobicContact CD1-CG2 3.71Å; I324-V394 HydrophobicContact CG1-CG2 3.92Å
325D97.6Very high97.3Very high135 Ų13539.5 Ų39.572%0.72222%0.22SC*.Hα-helixtrans-64.3-38.8-178.7-77-26.4000111.9T323 D329T323-D325 VanDerWaalsContact C-N 3.3Å; T323-D325 PolarHBondContact O-N 3.48Å; D325-D329 PolarHBondContact O-N 3.2Å; D325-D329 VanDerWaalsContact O-N 3.12Å
326G97.7Very high97.5Very high1 Ų142.1 Ų42.11%0.0123%0.23CC..Hα-helixtrans-66.9-44.7172.500000112.2T323 I324 K328 D329 N330 S348 G349T323-G326 PolarHBondContact O-N 3.36Å; T323-G326 VanDerWaalsContact O-N 3.16Å; I324-G326 VanDerWaalsContact C-N 3.32Å; I324-G326 PolarHBondContact O-N 3.16Å; G326-K328 VanDerWaalsContact C-N 3.25Å; G326-K328 PolarHBondContact O-N 2.79Å; G326-D329 WeakPolarHBondContact O-CB 3.37Å; G326-D329 PolarHBondContact O-N 3.01Å; G326-D329 VanDerWaalsContact O-N 3.12Å; G326-N330 PolarHBondContact O-N 3.12Å; G326-N330 PolarHBondContact O-ND2 2.74Å; G326-N330 PolarHBondContact O-OD1 3.41Å; G326-S348 WeakPolarHBondContact CA-O 3.46Å; G326-G349 CarbonylContact C-O 3.5Å; G326-G349 WeakPolarHBondContact CA-O 3.33Å
327A98.6Very high97.6Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-61-34.9177.300000112.8T323 I324 A331 L339 K340 F341 G349T323-A327 PolarHBondContact O-N 3.23Å; I324-A327 PolarHBondContact O-N 3.32Å; A327-A331 PolarHBondContact O-N 3.23Å; A327-L339 HydrophobicContact CB-CB 4.16Å; A327-L339 HydrophobicContact CB-CD2 4.41Å; A327-K340 CarbonylContact C-O 3.43Å; A327-K340 WeakPolarHBondContact CA-O 3.44Å; A327-K340 PolarHBondContact O-N 2.73Å; A327-K340 VanDerWaalsContact O-O 3.07Å; A327-F341 HydrophobicContact CB-CD1 3.92Å; A327-F341 HydrophobicContact CB-CE1 4.04Å; A327-F341 HydrophobicContact CB-CG 4.2Å; A327-F341 HydrophobicContact CB-CZ 4.41Å; A327-G349 PolarHBondContact N-O 2.89Å
328K98.7Very high97.6Very high100 Ų10050.6 Ų50.644%0.43527%0.273SS..Hα-helixtrans-67.6-44.3173.9-172.3176.7179.61780112.2I324 G326 N330 A331 Q332 L339I324-K328 WeakPolarHBondContact O-CB 3.24Å; I324-K328 PolarHBondContact O-N 3.45Å; G326-K328 VanDerWaalsContact C-N 3.25Å; G326-K328 PolarHBondContact O-N 2.79Å; K328-N330 VanDerWaalsContact C-N 3.33Å; K328-N330 PolarHBondContact O-N 3.41Å; K328-A331 PolarHBondContact O-N 2.98Å; K328-Q332 WeakPolarHBondContact O-CB 3.3Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.41Å; K328-Q332 PolarHBondContact O-N 3.31Å; K328-L339 HydrophobicContact CB-CD2 3.65Å; K328-L339 HydrophobicContact CG-CD2 4.34Å
329D97.7Very high97.7Very high31 Ų3147.8 Ų47.817%0.16626%0.26CS..Hα-helixtrans-59.6-44176.1-17969000111.1D325 G326 A331 Q332 K333 R350D325-D329 PolarHBondContact O-N 3.2Å; D325-D329 VanDerWaalsContact O-N 3.12Å; G326-D329 WeakPolarHBondContact O-CB 3.37Å; G326-D329 PolarHBondContact O-N 3.01Å; G326-D329 VanDerWaalsContact O-N 3.12Å; D329-A331 PolarHBondContact O-N 2.79Å; D329-Q332 PolarHBondContact O-N 2.96Å; D329-K333 WeakPolarHBondContact O-CB 3.45Å; D329-K333 WeakPolarHBondContact O-CG 3.38Å; D329-K333 PolarHBondContact O-N 3.1Å; D329-K333 WeakPolarHBondContact OD2-CE 3.46Å; D329-K333 IonicContact OD2-NZ 2.79Å; D329-K333 PolarHBondContact OD2-NZ 3.27Å; D329-R350 IonicContact OD2-CZ 3.85Å; D329-R350 IonicContact OD2-NE 3.62Å
330N98.1Very high97.8Very high6 Ų647.6 Ų47.63%0.03226%0.259CS..Hα-helixtrans-59.7-46.7177.2-61.8-25.3000112.2G326 K328 Q334 K340 G349 E351G326-N330 PolarHBondContact O-N 3.12Å; G326-N330 PolarHBondContact O-ND2 2.74Å; G326-N330 PolarHBondContact O-OD1 3.41Å; K328-N330 VanDerWaalsContact C-N 3.33Å; K328-N330 PolarHBondContact O-N 3.41Å; N330-Q334 PolarHBondContact O-N 3.14Å; N330-K340 HydrophobicContact CB-CB 4.4Å; N330-K340 VanDerWaalsContact CB-O 3.29Å; N330-K340 WeakPolarHBondContact CB-O 3.32Å; N330-K340 PolarHBondContact ND2-O 3.08Å; N330-G349 PolarHBondContact ND2-O 3.22Å; N330-G349 VanDerWaalsContact ND2-O 3.12Å; N330-E351 PolarHBondContact OD1-N 3.18Å
331A98.4Very high97.8Very high0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-61.9-45177.100000111.7A327 K328 D329 Q334 G335 Y336 K340 Y401A327-A331 PolarHBondContact O-N 3.23Å; K328-A331 PolarHBondContact O-N 2.98Å; D329-A331 PolarHBondContact O-N 2.79Å; A331-Q334 PolarHBondContact O-N 3.23Å; A331-G335 PolarHBondContact O-N 3.41Å; A331-Y336 CarbonylContact C-O 3.32Å; A331-Y336 PolarHBondContact O-N 2.94Å; A331-K340 HydrophobicContact CB-CB 3.82Å; A331-Y401 HydrophobicContact CB-CD2 4.31Å
332Q98.1Very high97.9Very high118 Ų11846.4 Ų46.455%0.55125%0.252SS*.Hα-helixtrans-64.2-41.6-179.2-73.8178.90.100112.9K328 D329 Q334 G335K328-Q332 WeakPolarHBondContact O-CB 3.3Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.41Å; K328-Q332 PolarHBondContact O-N 3.31Å; D329-Q332 PolarHBondContact O-N 2.96Å; Q332-Q334 PolarHBondContact O-N 3.45Å; Q332-G335 PolarHBondContact O-N 2.98Å
333K96.2Very high98Very high142 Ų14244.6 Ų44.662%0.61723%0.23SC*.Hα-helixtrans-59.3-31.2176.3-79.5171.2171.7166.50112.7D329D329-K333 WeakPolarHBondContact O-CB 3.45Å; D329-K333 WeakPolarHBondContact O-CG 3.38Å; D329-K333 PolarHBondContact O-N 3.1Å; D329-K333 WeakPolarHBondContact OD2-CE 3.46Å; D329-K333 IonicContact OD2-NZ 2.79Å; D329-K333 PolarHBondContact OD2-NZ 3.27Å
334Q95.9Very high98Very high60 Ų6045.1 Ų45.128%0.2823%0.232SC..THydrogen-bonded Turntrans-90.52.1176.1-63.2-176.211.600113.3N330 A331 Q332 Y336 G359N330-Q334 PolarHBondContact O-N 3.14Å; A331-Q334 PolarHBondContact O-N 3.23Å; Q332-Q334 PolarHBondContact O-N 3.45Å; Q334-Y336 VanDerWaalsContact C-N 3.35Å; Q334-Y336 HydrophobicContact CB-CD2 3.56Å; Q334-Y336 HydrophobicContact CB-CE2 3.8Å; Q334-G359 PolarHBondContact NE2-O 3.37Å
335G97.8Very high98Very high67 Ų6744.3 Ų44.369%0.69123%0.228SC*.THydrogen-bonded Turntrans77.316.3179.200000114.8A331 Q332A331-G335 PolarHBondContact O-N 3.41Å; Q332-G335 PolarHBondContact O-N 2.98Å
336Y98.3Very high97.9Very high57 Ų5737.9 Ų37.922%0.22419%0.194CC..  trans-98.7164.2178-62.2-62.1000111.9A331 Q334 Y401 R405A331-Y336 CarbonylContact C-O 3.32Å; A331-Y336 PolarHBondContact O-N 2.94Å; Q334-Y336 VanDerWaalsContact C-N 3.35Å; Q334-Y336 HydrophobicContact CB-CD2 3.56Å; Q334-Y336 HydrophobicContact CB-CE2 3.8Å; Y336-Y401 AromaticContact CD2-CE2 3.92Å; Y336-Y401 HydrophobicContact CD2-CE2 3.92Å; Y336-Y401 HydrophobicContact CG-CD2 4.46Å; Y336-Y401 HydrophobicContact CG-CE2 4.01Å; Y336-R405 HydrophobicContact CD1-CB 4.39Å; Y336-R405 HydrophobicContact CE1-CB 4.41Å; Y336-R405 VanDerWaalsContact CE1-CD 3.46Å; Y336-R405 WeakPolarHBondContact OH-CD 3.21Å; Y336-R405 PolarHBondContact OH-NE 3.19Å
337K98.4Very high97.6Very high156 Ų15639.7 Ų39.768%0.67821%0.205SC*.  trans-92.9176.7173.3-60.8-179.2-177.9176.20109.9Y401 S404K337-Y401 VanDerWaalsContact O-CA 3.27Å; K337-Y401 WeakPolarHBondContact O-CA 3.36Å; K337-Y401 WeakPolarHBondContact O-CB 3.38Å; K337-S404 PolarHBondContact N-OG 3.4Å
338G98.4Very high97.5Very high22 Ų2240.9 Ų40.923%0.22721%0.213CC..SBendtrans72.7-146.5171.900000113.2G397G338-G397 CarbonylContact C-O 3.6Å; G338-G397 WeakPolarHBondContact CA-O 3.43Å
339L98.8Very high97.3Very high11 Ų1136.1 Ų36.16%0.05819%0.193CC..  trans-121.6128.4-177.1-59.2178.2000110I324 A327 K328 E393 G397 V398 Y401I324-L339 HydrophobicContact CG1-CD1 4.14Å; I324-L339 HydrophobicContact CG2-CD1 3.95Å; I324-L339 HydrophobicContact CG2-CD2 3.86Å; A327-L339 HydrophobicContact CB-CB 4.16Å; A327-L339 HydrophobicContact CB-CD2 4.41Å; K328-L339 HydrophobicContact CB-CD2 3.65Å; K328-L339 HydrophobicContact CG-CD2 4.34Å; L339-E393 WeakPolarHBondContact CD1-O 3.5Å; L339-G397 PolarHBondContact N-O 3.44Å; L339-V398 HydrophobicContact CB-CG2 4.46Å; L339-Y401 VanDerWaalsContact O-CB 3.27Å; L339-Y401 WeakPolarHBondContact O-CB 3.37Å
340K98.6Very high97.3Very high1 Ų137.8 Ų37.80%0.00420%0.197CC..  trans-119.6104.3171.3-176.5-165.5169.3-70.90108.6A327 N330 A331 G359 N366 Y401A327-K340 CarbonylContact C-O 3.43Å; A327-K340 WeakPolarHBondContact CA-O 3.44Å; A327-K340 PolarHBondContact O-N 2.73Å; A327-K340 VanDerWaalsContact O-O 3.07Å; N330-K340 HydrophobicContact CB-CB 4.4Å; N330-K340 VanDerWaalsContact CB-O 3.29Å; N330-K340 WeakPolarHBondContact CB-O 3.32Å; N330-K340 PolarHBondContact ND2-O 3.08Å; A331-K340 HydrophobicContact CB-CB 3.82Å; K340-G359 WeakPolarHBondContact CE-O 3.49Å; K340-G359 PolarHBondContact NZ-O 3.16Å; K340-N366 VanDerWaalsContact CA-OD1 3.27Å; K340-N366 WeakPolarHBondContact CA-OD1 3.3Å; K340-Y401 HydrophobicContact CB-CD2 3.91Å; K340-Y401 HydrophobicContact CB-CE2 3.75Å; K340-Y401 HydrophobicContact CB-CG 4.46Å; K340-Y401 HydrophobicContact CD-CE2 4.05Å; K340-Y401 HydrophobicContact CG-CE1 4.47Å; K340-Y401 HydrophobicContact CG-CE2 3.92Å
341F98.7Very high97.2Very high0 Ų039.4 Ų39.40%020%0.204CC..  trans-60.5145.3172.8-72.9-79.8000110.8R320 A327 N366 V369 V394 V398R320-F341 HydrophobicContact CB-CE1 4.13Å; R320-F341 HydrophobicContact CB-CZ 4.23Å; R320-F341 WeakPolarHBondContact O-CE1 3.46Å; A327-F341 HydrophobicContact CB-CD1 3.92Å; A327-F341 HydrophobicContact CB-CE1 4.04Å; A327-F341 HydrophobicContact CB-CG 4.2Å; A327-F341 HydrophobicContact CB-CZ 4.41Å; F341-N366 PolarHBondContact N-OD1 2.87Å; F341-V369 HydrophobicContact CD2-CB 4.33Å; F341-V369 HydrophobicContact CD2-CG1 4.25Å; F341-V369 HydrophobicContact CD2-CG2 4.13Å; F341-V369 HydrophobicContact CE2-CB 4.43Å; F341-V369 HydrophobicContact CE2-CG1 3.87Å; F341-V369 HydrophobicContact CG-CG2 4.29Å; F341-V369 HydrophobicContact CZ-CG1 4.26Å; F341-V394 HydrophobicContact CE2-CG1 3.75Å; F341-V394 HydrophobicContact CZ-CG1 3.82Å; F341-V394 HydrophobicContact CZ-CG2 4.43Å; F341-V398 HydrophobicContact CD2-CG2 4.21Å; F341-V398 HydrophobicContact CE2-CG2 3.96Å
342P98.1Very high97.2Very high0 Ų039.4 Ų39.40%020%0.204CC..  trans-71.7152.4177.434.2-37.1000109.9E344 G349 E351 I365P342-E344 WeakPolarHBondContact CB-O 3.34Å; P342-G349 VanDerWaalsContact CD-O 3.3Å; P342-G349 WeakPolarHBondContact CD-O 3.4Å; P342-G349 WeakPolarHBondContact CG-O 3.29Å; P342-E351 VanDerWaalsContact CA-OE2 3.31Å; P342-E351 WeakPolarHBondContact CA-OE2 3.45Å; P342-E351 HydrophobicContact CB-CB 4.15Å; P342-I365 WeakPolarHBondContact O-CD1 3.45Å
343W98.2Very high97.1Very high12 Ų1234.1 Ų34.15%0.04518%0.18CC..SBendtrans-62.4-49.3171.9175-117.4000110.4F294 W295 E351 Y358 E362 H364F294-W343 HydrophobicContact CD1-CD2 4.31Å; F294-W343 AromaticContact CD1-CE2 3.82Å; F294-W343 HydrophobicContact CD1-CZ2 4.03Å; F294-W343 AromaticContact CD1-NE1 3.94Å; F294-W343 AromaticContact CE1-CE2 4Å; F294-W343 HydrophobicContact CE1-CZ2 4.39Å; F294-W343 AromaticContact CE1-NE1 3.64Å; W295-W343 AromaticContact CD1-CH2 3.27Å; W295-W343 AromaticContact CD1-CZ3 3.3Å; W295-W343 HydrophobicContact CG-CH2 4.25Å; W295-W343 AromaticContact CG-CZ3 3.94Å; W295-W343 HydrophobicContact CG-CZ3 3.94Å; W295-W343 AromaticContact NE1-CH2 3.23Å; W295-W343 AromaticContact NE1-CZ3 3.72Å; W343-E351 PolarHBondContact N-OE1 3.24Å; W343-E351 PolarHBondContact N-OE2 3.03Å; W343-Y358 VanDerWaalsContact CD1-CB 3.4Å; W343-E362 HydrophobicContact CD2-CB 4.39Å; W343-E362 HydrophobicContact CD2-CG 4.41Å; W343-E362 HydrophobicContact CE3-CB 4.07Å; W343-E362 HydrophobicContact CE3-CG 3.81Å; W343-E362 HydrophobicContact CH2-CG 3.96Å; W343-E362 WeakPolarHBondContact CH2-OE1 3.35Å; W343-E362 WeakPolarHBondContact CH2-OE2 3.13Å; W343-E362 WeakPolarHBondContact CZ2-OE2 3.3Å; W343-E362 HydrophobicContact CZ3-CB 4.34Å; W343-E362 HydrophobicContact CZ3-CG 3.56Å; W343-E362 WeakPolarHBondContact CZ3-OE1 3Å; W343-H364 AromaticContact CZ3-CE1 3.95Å; W343-H364 AromaticContact CZ3-NE2 3.98Å
344E97.9Very high96.9Very high11 Ų1129.7 Ų29.75%0.05117%0.165CC..SBendtrans-110.1121.1171.1-57.1-165-147.900109.7H292 F294 P342 E351 V352 C353H292-E344 HydrophobicContact CB-CB 4.01Å; H292-E344 IonicContact CE1-OE2 2.69Å; H292-E344 IonicContact CG-OE2 3.72Å; H292-E344 IonicContact ND1-OE2 3.74Å; H292-E344 PolarHBondContact ND1-OE2 3.48Å; F294-E344 HydrophobicContact CD1-CG 4.18Å; F294-E344 HydrophobicContact CE1-CG 3.41Å; F294-E344 VanDerWaalsContact CE1-CG 3.41Å; F294-E344 HydrophobicContact CE2-CG 4.11Å; F294-E344 HydrophobicContact CZ-CB 4.31Å; F294-E344 HydrophobicContact CZ-CG 3.36Å; P342-E344 WeakPolarHBondContact CB-O 3.34Å; E344-E351 PolarHBondContact N-OE1 3.13Å; E344-E351 VanDerWaalsContact N-OE1 3.13Å; E344-V352 HydrophobicContact CB-CG2 4.07Å; E344-V352 WeakPolarHBondContact O-CG2 3.43Å; E344-V352 PolarHBondContact O-N 2.83Å; E344-C353 HydrophobicContact CB-CB 4.02Å; E344-C353 HydrophobicContact CG-CB 3.72Å; E344-C353 PolarHBondContact OE1-SG 2.95Å
345S97.3Very high96.8Very high0 Ų031.6 Ų31.60%018%0.178CC..BIsolated β-bridgetrans-112.2135.7-178.5-166.80000111.8H292 V293 Y319H292-S345 WeakPolarHBondContact CA-O 3.45Å; V293-S345 PolarHBondContact N-O 3.22Å; V293-S345 WeakPolarHBondContact O-CB 3.4Å; V293-S345 PolarHBondContact O-N 3.46Å; Y319-S345 VanDerWaalsContact OH-CB 3.25Å; Y319-S345 WeakPolarHBondContact OH-CB 3.05Å; Y319-S345 PolarHBondContact OH-OG 2.94Å
346A95.6Very high96.5Very high1 Ų133.6 Ų33.61%0.00817%0.173CC..  trans-110.8-135.316700000110.6Y45 E162 Y319 V352Y45-A346 HydrophobicContact CD1-CB 3.96Å; Y45-A346 HydrophobicContact CD2-CB 4.32Å; Y45-A346 HydrophobicContact CE1-CB 4.12Å; Y45-A346 HydrophobicContact CE2-CB 4.4Å; Y45-A346 HydrophobicContact CG-CB 4.08Å; E162-A346 VanDerWaalsContact CD-CB 3.49Å; E162-A346 HydrophobicContact CG-CB 4.48Å; E162-A346 VanDerWaalsContact OE1-CB 3.32Å; E162-A346 WeakPolarHBondContact OE1-CB 3.47Å; Y319-A346 PolarHBondContact OH-O 3.46Å; A346-V352 HydrophobicContact CB-CG1 4.46Å; A346-V352 HydrophobicContact CB-CG2 4.08Å
347V92.6Very high96.4Very high39 Ų3933.5 Ų33.524%0.23618%0.175CC..SBendtrans-77.6-39.2-177.4-174.10000111.5Y45 E162 Y271 G349Y45-V347 HydrophobicContact CD2-CG2 3.52Å; Y45-V347 HydrophobicContact CE2-CG2 4.03Å; Y45-V347 HydrophobicContact CG-CG2 4.45Å; E162-V347 WeakPolarHBondContact OE1-CA 3.39Å; E162-V347 WeakPolarHBondContact OE1-CB 3.38Å; E162-V347 WeakPolarHBondContact OE1-CG2 3.39Å; E162-V347 PolarHBondContact OE1-N 3.12Å; E162-V347 PolarHBondContact OE2-N 3.26Å; Y271-V347 HydrophobicContact CE1-CG1 4.45Å; V347-G349 PolarHBondContact O-N 3.42Å
348S94.8Very high96.3Very high25 Ų2529.1 Ų29.118%0.17516%0.155CC..SBendtrans-78.8-18.2-172.568.60000114.6E162 G326 R350E162-S348 WeakPolarHBondContact OE2-CB 3.25Å; E162-S348 PolarHBondContact OE2-N 2.97Å; E162-S348 PolarHBondContact OE2-OG 3.14Å; G326-S348 WeakPolarHBondContact CA-O 3.46Å; S348-R350 PolarHBondContact O-N 2.98Å; S348-R350 WeakPolarHBondContact OG-CB 3.41Å; S348-R350 PolarHBondContact OG-N 2.74Å
349G95.9Very high96.1Very high0 Ų028.1 Ų28.10%015%0.145CC..  trans73.65.9-170.700000114.7G326 A327 N330 P342 V347G326-G349 CarbonylContact C-O 3.5Å; G326-G349 WeakPolarHBondContact CA-O 3.33Å; A327-G349 PolarHBondContact N-O 2.89Å; N330-G349 PolarHBondContact ND2-O 3.22Å; N330-G349 VanDerWaalsContact ND2-O 3.12Å; P342-G349 VanDerWaalsContact CD-O 3.3Å; P342-G349 WeakPolarHBondContact CD-O 3.4Å; P342-G349 WeakPolarHBondContact CG-O 3.29Å; V347-G349 PolarHBondContact O-N 3.42Å
350R96.6Very high95.9Very high66 Ų6632.1 Ų32.125%0.24916%0.164CC..SBendtrans-80.1157.3171.7-66.5-178.1174.7-163.2-6.7109.8D329 S348 V352D329-R350 IonicContact OD2-CZ 3.85Å; D329-R350 IonicContact OD2-NE 3.62Å; S348-R350 PolarHBondContact O-N 2.98Å; S348-R350 WeakPolarHBondContact OG-CB 3.41Å; S348-R350 PolarHBondContact OG-N 2.74Å; R350-V352 PolarHBondContact O-N 3.44Å
351E97.3Very high95.9Very high39 Ų3933.6 Ų33.618%0.18217%0.17CC..BIsolated β-bridgetrans-60.5121.4174-171.160.9-99.400110.7N330 P342 W343 E344 C353 G359N330-E351 PolarHBondContact OD1-N 3.18Å; P342-E351 VanDerWaalsContact CA-OE2 3.31Å; P342-E351 WeakPolarHBondContact CA-OE2 3.45Å; P342-E351 HydrophobicContact CB-CB 4.15Å; W343-E351 PolarHBondContact N-OE1 3.24Å; W343-E351 PolarHBondContact N-OE2 3.03Å; E344-E351 PolarHBondContact N-OE1 3.13Å; E344-E351 VanDerWaalsContact N-OE1 3.13Å; E351-C353 HydrophobicContact CG-CB 4.32Å; E351-C353 WeakPolarHBondContact OE1-CB 3.05Å; E351-C353 PolarHBondContact OE1-N 3.43Å; E351-G359 WeakPolarHBondContact OE2-CA 3.3Å
352V96.9Very high95.8Very high1 Ų133.6 Ų33.61%0.00617%0.17CC..  trans-121.78.3174.7-66.20000112.2A49 G50 C52 E344 A346 R350 P354A49-V352 WeakPolarHBondContact O-CB 3.47Å; G50-V352 WeakPolarHBondContact CA-O 3.4Å; C52-V352 HydrophobicContact CB-CB 3.9Å; C52-V352 HydrophobicContact CB-CG1 3.84Å; E344-V352 HydrophobicContact CB-CG2 4.07Å; E344-V352 WeakPolarHBondContact O-CG2 3.43Å; E344-V352 PolarHBondContact O-N 2.83Å; A346-V352 HydrophobicContact CB-CG1 4.46Å; A346-V352 HydrophobicContact CB-CG2 4.08Å; R350-V352 PolarHBondContact O-N 3.44Å; V352-P354 WeakPolarHBondContact O-CD 3.4Å
353C95.8Very high95.9Very high7 Ų733.6 Ų33.65%0.04717%0.17CC..  trans-59.1128.2172.9-172.90000109.9E344 E351 D355E344-C353 HydrophobicContact CB-CB 4.02Å; E344-C353 HydrophobicContact CG-CB 3.72Å; E344-C353 PolarHBondContact OE1-SG 2.95Å; E351-C353 HydrophobicContact CG-CB 4.32Å; E351-C353 WeakPolarHBondContact OE1-CB 3.05Å; E351-C353 PolarHBondContact OE1-N 3.43Å; C353-D355 PolarHBondContact O-N 3.29Å; C353-D355 PolarHBondContact SG-O 2.86Å; C353-D355 VanDerWaalsContact SG-O 3.35Å
354P92.4Very high95.9Very high48 Ų4833 Ų3331%0.31217%0.168SC..SBendtrans-60.3-33.1176.9-21.630.6000113.3G50 W290 V352G50-P354 WeakPolarHBondContact O-CG 3.42Å; W290-P354 HydrophobicContact CE3-CG 4.22Å; W290-P354 HydrophobicContact CH2-CG 3.72Å; W290-P354 HydrophobicContact CZ2-CG 4.01Å; W290-P354 HydrophobicContact CZ3-CG 3.82Å; V352-P354 WeakPolarHBondContact O-CD 3.4Å
355D93.5Very high95.9Very high100 Ų10032.5 Ų32.554%0.53517%0.166SC..SBendtrans-104.8105.3-177.5-75.9-36.8000110.9C353 I357 Y358C353-D355 PolarHBondContact O-N 3.29Å; C353-D355 PolarHBondContact SG-O 2.86Å; C353-D355 VanDerWaalsContact SG-O 3.35Å; D355-I357 PolarHBondContact O-N 3.31Å; D355-Y358 HydrophobicContact CB-CD2 3.62Å; D355-Y358 HydrophobicContact CB-CE2 3.73Å; D355-Y358 PolarHBondContact O-N 3.46Å
356D92.6Very high96Very high110 Ų11032.5 Ų32.559%0.58817%0.166SC*.Hα-helixtrans-49.2-30.5-176.4-85.6-18.7000114.9Y358 G359 Q360D356-Y358 VanDerWaalsContact C-N 3.35Å; D356-Y358 PolarHBondContact O-N 3.49Å; D356-G359 PolarHBondContact O-N 3.4Å; D356-Q360 VanDerWaalsContact O-CB 3.29Å; D356-Q360 WeakPolarHBondContact O-CB 3.34Å; D356-Q360 WeakPolarHBondContact O-CG 3.24Å; D356-Q360 PolarHBondContact O-N 3.01Å
357I95.6Very high96.1Very high55 Ų5532.5 Ų32.528%0.28217%0.166SC..Hα-helixtrans-61.7-41.1-174.3-169.4171000112.3D355 Q360 Q361 M421 Y428D355-I357 PolarHBondContact O-N 3.31Å; I357-Q360 PolarHBondContact O-N 3.1Å; I357-Q361 HydrophobicContact CG1-CG 4.45Å; I357-Q361 WeakPolarHBondContact O-CB 3.27Å; I357-Q361 PolarHBondContact O-N 3.41Å; I357-M421 HydrophobicContact CD1-CE 4.14Å; I357-M421 HydrophobicContact CG1-CE 4Å; I357-M421 HydrophobicContact CG2-CE 4.36Å; I357-Y428 HydrophobicContact CD1-CD1 4.42Å; I357-Y428 HydrophobicContact CD1-CD2 3.75Å; I357-Y428 HydrophobicContact CD1-CE2 4.26Å; I357-Y428 HydrophobicContact CD1-CG 3.84Å
358Y96.1Very high96.4Very high63 Ų6330.7 Ų30.725%0.24716%0.155CC..Hα-helixtrans-66.1-52.5179.9-60.2-77.8000109.9W343 D355 D356 Q360 Q361 E362 M421 E425W343-Y358 VanDerWaalsContact CD1-CB 3.4Å; D355-Y358 HydrophobicContact CB-CD2 3.62Å; D355-Y358 HydrophobicContact CB-CE2 3.73Å; D355-Y358 PolarHBondContact O-N 3.46Å; D356-Y358 VanDerWaalsContact C-N 3.35Å; D356-Y358 PolarHBondContact O-N 3.49Å; Y358-Q360 PolarHBondContact O-N 3.4Å; Y358-Q360 VanDerWaalsContact O-N 3.12Å; Y358-Q361 PolarHBondContact O-N 3.13Å; Y358-E362 WeakPolarHBondContact CD1-OE2 3.21Å; Y358-E362 WeakPolarHBondContact O-CB 3.33Å; Y358-E362 PolarHBondContact O-N 3.37Å; Y358-M421 HydrophobicContact CD1-CE 3.94Å; Y358-M421 HydrophobicContact CD1-SD 3.39Å; Y358-M421 WeakPolarHBondContact CD1-SD 3.15Å; Y358-M421 HydrophobicContact CE1-CE 3.99Å; Y358-M421 HydrophobicContact CE1-SD 3.73Å; Y358-M421 HydrophobicContact CG-SD 4.4Å; Y358-E425 HydrophobicContact CE1-CB 4.31Å; Y358-E425 HydrophobicContact CE1-CG 4.15Å; Y358-E425 WeakPolarHBondContact CE1-OE2 3.22Å
359G94.1Very high96.6Very high2 Ų229.5 Ų29.52%0.02115%0.147CC..Hα-helixtrans-59.2-26.3175.300000114Q334 K340 E351 D356Q334-G359 PolarHBondContact NE2-O 3.37Å; K340-G359 WeakPolarHBondContact CE-O 3.49Å; K340-G359 PolarHBondContact NZ-O 3.16Å; E351-G359 WeakPolarHBondContact OE2-CA 3.3Å; D356-G359 PolarHBondContact O-N 3.4Å
360Q95.5Very high96.7Very high95 Ų9529.7 Ų29.744%0.44415%0.148SC..Hα-helixtrans-84.4-38.7177.4-73.9174.123.300113.7D356 I357 Y358D356-Q360 VanDerWaalsContact O-CB 3.29Å; D356-Q360 WeakPolarHBondContact O-CB 3.34Å; D356-Q360 WeakPolarHBondContact O-CG 3.24Å; D356-Q360 PolarHBondContact O-N 3.01Å; I357-Q360 PolarHBondContact O-N 3.1Å; Y358-Q360 PolarHBondContact O-N 3.4Å; Y358-Q360 VanDerWaalsContact O-N 3.12Å
361Q97.8Very high96.8Very high31 Ų3127.9 Ų27.915%0.14514%0.143CC..Hα-helixtrans-114.8-25.4-165.1-60.3-170.826.200114.3I357 Y358 I363 V420 M421I357-Q361 HydrophobicContact CG1-CG 4.45Å; I357-Q361 WeakPolarHBondContact O-CB 3.27Å; I357-Q361 PolarHBondContact O-N 3.41Å; Y358-Q361 PolarHBondContact O-N 3.13Å; Q361-I363 PolarHBondContact O-N 3.42Å; Q361-V420 WeakPolarHBondContact O-CA 3.15Å; Q361-M421 HydrophobicContact CB-CB 3.77Å; Q361-M421 PolarHBondContact O-N 3.31Å
362E98.1Very high96.9Very high0 Ų026.1 Ų26.10%014%0.135CC..  trans-86.467.9-177.8-158.2163.3-170.600110.8W343 Y358 H364 M421W343-E362 HydrophobicContact CD2-CB 4.39Å; W343-E362 HydrophobicContact CD2-CG 4.41Å; W343-E362 HydrophobicContact CE3-CB 4.07Å; W343-E362 HydrophobicContact CE3-CG 3.81Å; W343-E362 HydrophobicContact CH2-CG 3.96Å; W343-E362 WeakPolarHBondContact CH2-OE1 3.35Å; W343-E362 WeakPolarHBondContact CH2-OE2 3.13Å; W343-E362 WeakPolarHBondContact CZ2-OE2 3.3Å; W343-E362 HydrophobicContact CZ3-CB 4.34Å; W343-E362 HydrophobicContact CZ3-CG 3.56Å; W343-E362 WeakPolarHBondContact CZ3-OE1 3Å; Y358-E362 WeakPolarHBondContact CD1-OE2 3.21Å; Y358-E362 WeakPolarHBondContact O-CB 3.33Å; Y358-E362 PolarHBondContact O-N 3.37Å; E362-H364 VanDerWaalsContact CG-NE2 3.31Å; E362-H364 WeakPolarHBondContact CG-NE2 3.32Å; E362-H364 IonicContact OE1-NE2 2.71Å; E362-H364 PolarHBondContact OE1-NE2 2.77Å; E362-M421 HydrophobicContact CB-CB 4.12Å; E362-M421 HydrophobicContact CB-CG 4.32Å; E362-M421 HydrophobicContact CB-SD 4.13Å; E362-M421 HydrophobicContact CG-CG 4.36Å; E362-M421 HydrophobicContact CG-SD 4.44Å
363I98.4Very high97Very high0 Ų026 Ų260%014%0.135CC..THydrogen-bonded Turntrans-89-1.7-167.364.5174.3000113.4Q361 I365 N366 Y401 W402 R405 V420 T436Q361-I363 PolarHBondContact O-N 3.42Å; I363-I365 PolarHBondContact O-N 2.8Å; I363-N366 PolarHBondContact O-N 3.11Å; I363-N366 PolarHBondContact O-ND2 3.47Å; I363-Y401 WeakPolarHBondContact CG2-OH 3.28Å; I363-W402 HydrophobicContact CD1-CH2 4.27Å; I363-W402 HydrophobicContact CD1-CZ3 3.71Å; I363-W402 HydrophobicContact CG1-CH2 4.06Å; I363-W402 HydrophobicContact CG1-CZ3 4.02Å; I363-W402 VanDerWaalsContact O-CH2 3.29Å; I363-W402 WeakPolarHBondContact O-CH2 3.45Å; I363-R405 HydrophobicContact CD1-CG 3.92Å; I363-V420 HydrophobicContact CD1-CG1 3.7Å; I363-V420 HydrophobicContact CG1-CG1 4.07Å; I363-T436 HydrophobicContact CD1-CG2 4.47Å; I363-T436 HydrophobicContact CG1-CG2 3.91Å
364H98.7Very high97.1Very high0 Ų027.2 Ų27.20%014%0.139CC..THydrogen-bonded Turntrans-65-24.2-178.967.577000112.9W295 W343 E362 N366 G367 D368 Y435 T436 V439W295-H364 AromaticContact CD2-CE1 3.53Å; W295-H364 AromaticContact CE2-CE1 3.85Å; W295-H364 AromaticContact CE3-CE1 3.55Å; W295-H364 AromaticContact CE3-ND1 3.87Å; W295-H364 AromaticContact CG-CE1 3.97Å; W295-H364 AromaticContact CZ3-CE1 3.9Å; W343-H364 AromaticContact CZ3-CE1 3.95Å; W343-H364 AromaticContact CZ3-NE2 3.98Å; E362-H364 VanDerWaalsContact CG-NE2 3.31Å; E362-H364 WeakPolarHBondContact CG-NE2 3.32Å; E362-H364 IonicContact OE1-NE2 2.71Å; E362-H364 PolarHBondContact OE1-NE2 2.77Å; H364-N366 PolarHBondContact O-N 3.03Å; H364-G367 WeakPolarHBondContact O-CA 3.39Å; H364-G367 PolarHBondContact O-N 3.34Å; H364-D368 IonicContact CE1-OD2 3.9Å; H364-D368 IonicContact CG-OD2 3.64Å; H364-D368 IonicContact ND1-OD2 3.35Å; H364-D368 PolarHBondContact ND1-OD2 2.79Å; H364-D368 PolarHBondContact O-N 3.34Å; H364-D368 VanDerWaalsContact O-N 3.14Å; H364-D368 VanDerWaalsContact O-OD2 3.08Å; H364-Y435 HydrophobicContact CB-CD1 3.94Å; H364-Y435 HydrophobicContact CB-CE1 3.94Å; H364-Y435 AromaticContact CG-CE1 3.9Å; H364-Y435 AromaticContact ND1-CE1 3.74Å; H364-T436 HydrophobicContact CB-CG2 4.2Å; H364-V439 HydrophobicContact CB-CG2 3.98Å
365I98.6Very high97.4Very high0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-47.9-33.2175-173.1158000113.5W295 P342 I363 G367 D368 V369W295-I365 HydrophobicContact CB-CB 4.13Å; W295-I365 HydrophobicContact CB-CD1 3.91Å; W295-I365 HydrophobicContact CB-CG1 3.79Å; W295-I365 VanDerWaalsContact N-CD1 3.34Å; P342-I365 WeakPolarHBondContact O-CD1 3.45Å; I363-I365 PolarHBondContact O-N 2.8Å; I365-G367 VanDerWaalsContact C-N 3.3Å; I365-G367 PolarHBondContact O-N 3.37Å; I365-D368 WeakPolarHBondContact CA-OD2 3.38Å; I365-D368 PolarHBondContact N-OD2 3.25Å; I365-D368 PolarHBondContact O-N 2.79Å; I365-V369 HydrophobicContact CG1-CG2 4.49Å; I365-V369 WeakPolarHBondContact O-CG2 3.39Å; I365-V369 PolarHBondContact O-N 3.37Å
366N98.6Very high97.6Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-62-41.2176.4-63.2-66.5000111.9K340 F341 I363 H364 T370 V398 W402K340-N366 VanDerWaalsContact CA-OD1 3.27Å; K340-N366 WeakPolarHBondContact CA-OD1 3.3Å; F341-N366 PolarHBondContact N-OD1 2.87Å; I363-N366 PolarHBondContact O-N 3.11Å; I363-N366 PolarHBondContact O-ND2 3.47Å; H364-N366 PolarHBondContact O-N 3.03Å; N366-T370 WeakPolarHBondContact O-CG2 3.02Å; N366-T370 PolarHBondContact O-N 3.17Å; N366-V398 HydrophobicContact CB-CG1 3.81Å; N366-V398 HydrophobicContact CB-CG2 4.36Å; N366-W402 HydrophobicContact CB-CZ2 3.8Å
367G98.6Very high97.9Very high2 Ų216.9 Ų16.92%0.0218%0.08CC..Hα-helixtrans-70.7-38.1175.500000112.8H364 I365 V369 T370 L371 S443H364-G367 WeakPolarHBondContact O-CA 3.39Å; H364-G367 PolarHBondContact O-N 3.34Å; I365-G367 VanDerWaalsContact C-N 3.3Å; I365-G367 PolarHBondContact O-N 3.37Å; G367-V369 PolarHBondContact O-N 2.77Å; G367-T370 WeakPolarHBondContact CA-OG1 3.41Å; G367-T370 PolarHBondContact O-N 3.25Å; G367-T370 VanDerWaalsContact O-N 3.12Å; G367-T370 PolarHBondContact O-OG1 2.79Å; G367-L371 PolarHBondContact O-N 3.36Å; G367-S443 VanDerWaalsContact CA-OG 3.3Å; G367-S443 WeakPolarHBondContact CA-OG 3.45Å
368D98.7Very high97.9Very high0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-62.2-43.4176.4-58-47.9000112.3W295 V299 H364 I365 T370 L371 A372 Y435W295-D368 HydrophobicContact CB-CB 4.25Å; V299-D368 HydrophobicContact CG2-CB 3.57Å; V299-D368 WeakPolarHBondContact CG2-OD1 3.43Å; H364-D368 IonicContact CE1-OD2 3.9Å; H364-D368 IonicContact CG-OD2 3.64Å; H364-D368 IonicContact ND1-OD2 3.35Å; H364-D368 PolarHBondContact ND1-OD2 2.79Å; H364-D368 PolarHBondContact O-N 3.34Å; H364-D368 VanDerWaalsContact O-N 3.14Å; H364-D368 VanDerWaalsContact O-OD2 3.08Å; I365-D368 WeakPolarHBondContact CA-OD2 3.38Å; I365-D368 PolarHBondContact N-OD2 3.25Å; I365-D368 PolarHBondContact O-N 2.79Å; D368-T370 VanDerWaalsContact C-N 3.34Å; D368-T370 PolarHBondContact O-N 2.74Å; D368-L371 WeakPolarHBondContact O-CB 3.44Å; D368-L371 PolarHBondContact O-N 2.97Å; D368-A372 PolarHBondContact O-N 2.96Å; D368-A372 VanDerWaalsContact O-N 3.15Å; D368-Y435 PolarHBondContact OD1-OH 3.47Å
369V98.8Very high98Very high0 Ų012.7 Ų12.70%06%0.061CC..Hα-helixtrans-58.2-47.8171.6171.90000110.1D298 R320 F341 I365 G367 L371 A372 F373 V394D298-V369 WeakPolarHBondContact OD2-CG2 3.49Å; R320-V369 HydrophobicContact CB-CG1 4.19Å; R320-V369 HydrophobicContact CG-CG1 4.03Å; R320-V369 HydrophobicContact CG-CG2 4.25Å; F341-V369 HydrophobicContact CD2-CB 4.33Å; F341-V369 HydrophobicContact CD2-CG1 4.25Å; F341-V369 HydrophobicContact CD2-CG2 4.13Å; F341-V369 HydrophobicContact CE2-CB 4.43Å; F341-V369 HydrophobicContact CE2-CG1 3.87Å; F341-V369 HydrophobicContact CG-CG2 4.29Å; F341-V369 HydrophobicContact CZ-CG1 4.26Å; I365-V369 HydrophobicContact CG1-CG2 4.49Å; I365-V369 WeakPolarHBondContact O-CG2 3.39Å; I365-V369 PolarHBondContact O-N 3.37Å; G367-V369 PolarHBondContact O-N 2.77Å; V369-L371 VanDerWaalsContact C-N 3.27Å; V369-L371 PolarHBondContact O-N 2.88Å; V369-A372 PolarHBondContact O-N 2.95Å; V369-F373 HydrophobicContact CG1-CD2 4.07Å; V369-F373 HydrophobicContact CG1-CE2 3.92Å; V369-F373 WeakPolarHBondContact O-CD2 3.47Å; V369-F373 PolarHBondContact O-N 2.86Å; V369-V394 HydrophobicContact CG1-CG1 3.96Å
370T98.7Very high98Very high4 Ų413.7 Ų13.73%0.0257%0.067CC..Hα-helixtrans-63-34.4179.966.90000112.9N366 G367 D368 F373 Q374 I395 V398 S443N366-T370 WeakPolarHBondContact O-CG2 3.02Å; N366-T370 PolarHBondContact O-N 3.17Å; G367-T370 WeakPolarHBondContact CA-OG1 3.41Å; G367-T370 PolarHBondContact O-N 3.25Å; G367-T370 VanDerWaalsContact O-N 3.12Å; G367-T370 PolarHBondContact O-OG1 2.79Å; D368-T370 VanDerWaalsContact C-N 3.34Å; D368-T370 PolarHBondContact O-N 2.74Å; T370-F373 PolarHBondContact O-N 3.47Å; T370-Q374 PolarHBondContact O-N 3.15Å; T370-I395 HydrophobicContact CG2-CD1 3.9Å; T370-V398 HydrophobicContact CG2-CB 3.92Å; T370-V398 HydrophobicContact CG2-CG1 3.6Å; T370-V398 HydrophobicContact CG2-CG2 4.29Å; T370-S443 WeakPolarHBondContact OG1-CB 3.28Å; T370-S443 PolarHBondContact OG1-OG 2.83Å
371L98.6Very high98Very high28 Ų2812.4 Ų12.415%0.1476%0.06CC..Hα-helixtrans-63.6-41.2176.8-175.766.6000111.1G367 D368 V369 F373 Q374 H375 P503 L504G367-L371 PolarHBondContact O-N 3.36Å; D368-L371 WeakPolarHBondContact O-CB 3.44Å; D368-L371 PolarHBondContact O-N 2.97Å; V369-L371 VanDerWaalsContact C-N 3.27Å; V369-L371 PolarHBondContact O-N 2.88Å; L371-F373 PolarHBondContact O-N 3.46Å; L371-Q374 PolarHBondContact O-N 3.44Å; L371-H375 VanDerWaalsContact O-CB 3.26Å; L371-H375 WeakPolarHBondContact O-CB 3.46Å; L371-H375 PolarHBondContact O-N 3.13Å; L371-P503 HydrophobicContact CD2-CB 4.25Å; L371-P503 HydrophobicContact CD2-CG 4.16Å; L371-L504 HydrophobicContact CD2-CD2 3.79Å
372A98.7Very high97.8Very high2 Ų212.7 Ų12.72%0.0176%0.063CC..Hα-helixtrans-62.3-41.9176.200000112.6D298 Y302 L317 D368 V369 H375 Y376D298-A372 HydrophobicContact CB-CB 4.04Å; Y302-A372 HydrophobicContact CD1-CB 3.7Å; Y302-A372 HydrophobicContact CE1-CB 3.61Å; Y302-A372 VanDerWaalsContact CE1-O 3.3Å; Y302-A372 WeakPolarHBondContact CE1-O 3.32Å; Y302-A372 HydrophobicContact CE2-CB 4.48Å; Y302-A372 HydrophobicContact CG-CB 4.21Å; Y302-A372 PolarHBondContact OH-O 2.89Å; L317-A372 HydrophobicContact CD2-CB 3.94Å; D368-A372 PolarHBondContact O-N 2.96Å; D368-A372 VanDerWaalsContact O-N 3.15Å; V369-A372 PolarHBondContact O-N 2.95Å; A372-H375 PolarHBondContact O-N 3Å; A372-Y376 PolarHBondContact O-N 3.35Å
373F98.8Very high97.7Very high0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-65.3-43.1174-84.6-90.9000112.5L317 R320 V321 V369 T370 L371 H375 Y376 L377 V385 F386 V394 I395 F446L317-F373 HydrophobicContact CB-CD1 4.42Å; L317-F373 HydrophobicContact CB-CE1 3.83Å; L317-F373 HydrophobicContact CB-CE2 4.19Å; L317-F373 HydrophobicContact CB-CZ 3.69Å; L317-F373 HydrophobicContact CD1-CD1 3.92Å; L317-F373 HydrophobicContact CD1-CE1 4.12Å; L317-F373 HydrophobicContact CD1-CG 4.25Å; L317-F373 HydrophobicContact CD2-CD1 4.35Å; L317-F373 HydrophobicContact CD2-CD2 3.76Å; L317-F373 HydrophobicContact CD2-CE1 4.44Å; L317-F373 HydrophobicContact CD2-CE2 3.85Å; L317-F373 HydrophobicContact CD2-CG 4.01Å; L317-F373 HydrophobicContact CD2-CZ 4.2Å; L317-F373 HydrophobicContact CG-CD1 4.46Å; L317-F373 HydrophobicContact CG-CE1 4.35Å; L317-F373 HydrophobicContact CG-CZ 4.37Å; R320-F373 HydrophobicContact CB-CE2 4.21Å; V321-F373 HydrophobicContact CG2-CE1 4.41Å; V321-F373 HydrophobicContact CG2-CZ 4Å; V369-F373 HydrophobicContact CG1-CD2 4.07Å; V369-F373 HydrophobicContact CG1-CE2 3.92Å; V369-F373 WeakPolarHBondContact O-CD2 3.47Å; V369-F373 PolarHBondContact O-N 2.86Å; T370-F373 PolarHBondContact O-N 3.47Å; L371-F373 PolarHBondContact O-N 3.46Å; F373-H375 VanDerWaalsContact C-N 3.35Å; F373-Y376 WeakPolarHBondContact O-CB 3.47Å; F373-Y376 PolarHBondContact O-N 2.99Å; F373-L377 PolarHBondContact O-N 3.5Å; F373-V385 HydrophobicContact CD1-CG1 4.32Å; F373-V385 HydrophobicContact CE1-CG1 4.07Å; F373-F386 HydrophobicContact CB-CE1 4.1Å; F373-F386 HydrophobicContact CB-CZ 4.25Å; F373-F386 HydrophobicContact CD1-CD1 4.39Å; F373-F386 AromaticContact CD1-CE1 3.7Å; F373-F386 HydrophobicContact CD1-CE1 3.7Å; F373-F386 HydrophobicContact CD1-CZ 4.11Å; F373-F386 HydrophobicContact CG-CE1 4.34Å; F373-V394 HydrophobicContact CD2-CG1 4.35Å; F373-V394 HydrophobicContact CE2-CB 4.34Å; F373-V394 HydrophobicContact CE2-CG1 3.86Å; F373-V394 HydrophobicContact CE2-CG2 4.45Å; F373-V394 HydrophobicContact CZ-CB 4.27Å; F373-V394 HydrophobicContact CZ-CG1 4.28Å; F373-V394 HydrophobicContact CZ-CG2 4.1Å; F373-I395 HydrophobicContact CB-CD1 3.72Å; F373-I395 HydrophobicContact CB-CG1 4.44Å; F373-I395 HydrophobicContact CD2-CD1 4.2Å; F373-I395 HydrophobicContact CG-CD1 3.95Å; F373-F446 HydrophobicContact CB-CE1 4.14Å
374Q98.6Very high97.6Very high31 Ų3116.8 Ų16.815%0.1459%0.086CC..Hα-helixtrans-60.8-47.1176-178.1-177.75800110.9T370 L371 Y376 L377 Y378 F446T370-Q374 PolarHBondContact O-N 3.15Å; L371-Q374 PolarHBondContact O-N 3.44Å; Q374-Y376 VanDerWaalsContact C-N 3.26Å; Q374-Y376 PolarHBondContact O-N 3.5Å; Q374-L377 PolarHBondContact O-N 3.03Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; Q374-Y378 HydrophobicContact CG-CD2 3.99Å; Q374-Y378 HydrophobicContact CG-CE1 4.11Å; Q374-Y378 HydrophobicContact CG-CE2 3.51Å; Q374-Y378 HydrophobicContact CG-CG 4.48Å; Q374-Y378 PolarHBondContact NE2-OH 2.69Å; Q374-Y378 VanDerWaalsContact NE2-OH 3.13Å; Q374-Y378 PolarHBondContact O-N 2.91Å; Q374-F446 VanDerWaalsContact CA-CZ 3.47Å; Q374-F446 HydrophobicContact CB-CD1 3.91Å; Q374-F446 HydrophobicContact CB-CD2 3.86Å; Q374-F446 HydrophobicContact CB-CE1 3.88Å; Q374-F446 HydrophobicContact CB-CE2 3.86Å; Q374-F446 HydrophobicContact CB-CG 3.9Å; Q374-F446 HydrophobicContact CB-CZ 3.88Å; Q374-F446 HydrophobicContact CG-CD2 3.65Å; Q374-F446 HydrophobicContact CG-CE2 3.83Å; Q374-F446 HydrophobicContact CG-CG 4.06Å; Q374-F446 HydrophobicContact CG-CZ 4.37Å
375H97.8Very high97.4Very high28 Ų2816.9 Ų16.913%0.139%0.087CC..Hα-helixtrans-57.8-40.9177.4-173.4-148.5000111.5Y302 L371 A372 F373 L379 V599Y302-H375 HydrophobicContact CE1-CB 4.26Å; Y302-H375 AromaticContact CE1-ND1 3.75Å; L371-H375 VanDerWaalsContact O-CB 3.26Å; L371-H375 WeakPolarHBondContact O-CB 3.46Å; L371-H375 PolarHBondContact O-N 3.13Å; A372-H375 PolarHBondContact O-N 3Å; F373-H375 VanDerWaalsContact C-N 3.35Å; H375-L379 WeakPolarHBondContact O-CB 3.18Å; H375-L379 WeakPolarHBondContact O-CG 3.43Å; H375-L379 PolarHBondContact O-N 3.29Å; H375-V599 VanDerWaalsContact CD2-CB 3.44Å; H375-V599 WeakPolarHBondContact CD2-CB 3.37Å; H375-V599 WeakPolarHBondContact NE2-CG2 3.21Å
376Y98.3Very high97.4Very high9 Ų916.9 Ų16.94%0.0359%0.087CC..Hα-helixtrans-59.7-50.3173.9-168.8-96.9000112.7Y302 P310 A313 R314 L317 A372 F373 Q374 Y378 L379 T380 D382 V385Y302-Y376 VanDerWaalsContact OH-CB 3.3Å; Y302-Y376 WeakPolarHBondContact OH-CB 3.3Å; P310-Y376 WeakPolarHBondContact O-CE2 3.32Å; A313-Y376 HydrophobicContact CB-CD2 4.36Å; A313-Y376 HydrophobicContact CB-CE2 4.47Å; R314-Y376 HydrophobicContact CB-CE2 3.92Å; L317-Y376 HydrophobicContact CD1-CD1 4.14Å; L317-Y376 HydrophobicContact CD1-CD2 3.82Å; L317-Y376 HydrophobicContact CD1-CG 3.58Å; A372-Y376 PolarHBondContact O-N 3.35Å; F373-Y376 WeakPolarHBondContact O-CB 3.47Å; F373-Y376 PolarHBondContact O-N 2.99Å; Q374-Y376 VanDerWaalsContact C-N 3.26Å; Q374-Y376 PolarHBondContact O-N 3.5Å; Y376-Y378 VanDerWaalsContact C-N 3.31Å; Y376-Y378 PolarHBondContact O-N 3.16Å; Y376-L379 PolarHBondContact O-N 3.09Å; Y376-T380 HydrophobicContact CD2-CG2 4.37Å; Y376-T380 HydrophobicContact CE1-CG2 4.27Å; Y376-T380 WeakPolarHBondContact CE1-OG1 3.5Å; Y376-T380 HydrophobicContact CE2-CG2 4.09Å; Y376-T380 WeakPolarHBondContact O-CB 3.28Å; Y376-T380 WeakPolarHBondContact O-CG2 3.41Å; Y376-T380 PolarHBondContact O-N 3.29Å; Y376-T380 PolarHBondContact O-OG1 3.44Å; Y376-D382 HydrophobicContact CE1-CB 3.92Å; Y376-D382 PolarHBondContact OH-OD2 3.23Å; Y376-V385 HydrophobicContact CD1-CB 4.36Å; Y376-V385 HydrophobicContact CD1-CG2 4.11Å; Y376-V385 HydrophobicContact CE1-CB 4Å; Y376-V385 HydrophobicContact CE1-CG1 4.48Å; Y376-V385 HydrophobicContact CE1-CG2 3.33Å
377L98.1Very high97.3Very high5 Ų520.6 Ų20.63%0.02611%0.11CC..Hα-helixtrans-60.3-44.8-178.2-178.261.1000110.5F373 Q374 L379 T380 E381 L383 F386 F446 L450 F453F373-L377 PolarHBondContact O-N 3.5Å; Q374-L377 PolarHBondContact O-N 3.03Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; L377-L379 PolarHBondContact O-N 2.6Å; L377-T380 PolarHBondContact O-N 3.47Å; L377-E381 VanDerWaalsContact O-CA 3.28Å; L377-E381 WeakPolarHBondContact O-CA 3.3Å; L377-E381 PolarHBondContact O-N 3.28Å; L377-L383 HydrophobicContact CD1-CD2 3.69Å; L377-L383 HydrophobicContact CD1-CG 4.44Å; L377-F386 HydrophobicContact CB-CE2 3.82Å; L377-F386 HydrophobicContact CB-CZ 3.93Å; L377-F386 HydrophobicContact CD1-CD2 4.35Å; L377-F386 HydrophobicContact CD1-CE2 3.81Å; L377-F386 HydrophobicContact CD2-CE2 4.35Å; L377-F386 HydrophobicContact CD2-CZ 4.5Å; L377-F386 HydrophobicContact CG-CE2 4.19Å; L377-F446 HydrophobicContact CD2-CE2 3.85Å; L377-F446 HydrophobicContact CD2-CZ 4.15Å; L377-L450 HydrophobicContact CD2-CD1 4.36Å; L377-F453 HydrophobicContact CD2-CD2 3.95Å; L377-F453 HydrophobicContact CD2-CE2 3.99Å
378Y97.3Very high97.1Very high26 Ų2628 Ų2810%0.10214%0.144CC..Hα-helixtrans-70.1-31-179.6-65.4-7000112.9Q374 Y376 E449 V599 K601Q374-Y378 HydrophobicContact CG-CD2 3.99Å; Q374-Y378 HydrophobicContact CG-CE1 4.11Å; Q374-Y378 HydrophobicContact CG-CE2 3.51Å; Q374-Y378 HydrophobicContact CG-CG 4.48Å; Q374-Y378 PolarHBondContact NE2-OH 2.69Å; Q374-Y378 VanDerWaalsContact NE2-OH 3.13Å; Q374-Y378 PolarHBondContact O-N 2.91Å; Y376-Y378 VanDerWaalsContact C-N 3.31Å; Y376-Y378 PolarHBondContact O-N 3.16Å; Y378-E449 PolarHBondContact OH-OE1 2.96Å; Y378-E449 PolarHBondContact OH-OE2 3.41Å; Y378-V599 VanDerWaalsContact CB-CG1 3.47Å; Y378-K601 HydrophobicContact CD1-CB 4.26Å; Y378-K601 HydrophobicContact CD1-CG 4.45Å; Y378-K601 HydrophobicContact CE1-CB 3.83Å; Y378-K601 HydrophobicContact CE1-CG 3.93Å; Y378-K601 HydrophobicContact CE2-CB 4.09Å
379L96.4Very high96.7Very high4 Ų428.7 Ų28.72%0.02115%0.152CC..Hα-helixtrans-72.9-35.1174.8-82.1173.2000113.2A306 L307 H375 Y376 L377 V599 Y624 L625A306-L379 HydrophobicContact CB-CD1 3.72Å; L307-L379 HydrophobicContact CD1-CD2 4.31Å; H375-L379 WeakPolarHBondContact O-CB 3.18Å; H375-L379 WeakPolarHBondContact O-CG 3.43Å; H375-L379 PolarHBondContact O-N 3.29Å; Y376-L379 PolarHBondContact O-N 3.09Å; L377-L379 PolarHBondContact O-N 2.6Å; L379-V599 HydrophobicContact CD2-CB 4.5Å; L379-V599 HydrophobicContact CD2-CG1 4.11Å; L379-V599 HydrophobicContact CD2-CG2 3.55Å; L379-V599 HydrophobicContact CG-CG1 3.92Å; L379-V599 HydrophobicContact CG-CG2 3.94Å; L379-Y624 HydrophobicContact CD2-CD2 4.25Å; L379-L625 PolarHBondContact O-N 3.05Å
380T95.9Very high96.7Very high23 Ų2333.8 Ų33.814%0.14117%0.174CC..Hα-helixtrans-118.2-26.7-163.164.70000114.7P310 Y376 L377 D382P310-T380 HydrophobicContact CB-CG2 3.88Å; P310-T380 HydrophobicContact CG-CG2 4.34Å; Y376-T380 HydrophobicContact CD2-CG2 4.37Å; Y376-T380 HydrophobicContact CE1-CG2 4.27Å; Y376-T380 WeakPolarHBondContact CE1-OG1 3.5Å; Y376-T380 HydrophobicContact CE2-CG2 4.09Å; Y376-T380 WeakPolarHBondContact O-CB 3.28Å; Y376-T380 WeakPolarHBondContact O-CG2 3.41Å; Y376-T380 PolarHBondContact O-N 3.29Å; Y376-T380 PolarHBondContact O-OG1 3.44Å; L377-T380 PolarHBondContact O-N 3.47Å; T380-D382 PolarHBondContact O-N 3.3Å; T380-D382 PolarHBondContact OG1-N 3.4Å; T380-D382 VanDerWaalsContact OG1-N 3.09Å
381E94.5Very high96.6Very high67 Ų6733.6 Ų33.631%0.31317%0.172SC..  trans51.921-162.4-71.8179.4-166.500113.7L377 L383 L625 H655 K687L377-E381 VanDerWaalsContact O-CA 3.28Å; L377-E381 WeakPolarHBondContact O-CA 3.3Å; L377-E381 PolarHBondContact O-N 3.28Å; E381-L383 PolarHBondContact O-N 2.99Å; E381-L383 VanDerWaalsContact O-N 3.08Å; E381-L625 HydrophobicContact CB-CD2 4.13Å; E381-L625 HydrophobicContact CG-CD2 3.55Å; E381-H655 IonicContact OE2-CE1 3.69Å; E381-H655 IonicContact OE2-NE2 3.39Å; E381-K687 IonicContact OE1-NZ 3.63Å; E381-K687 PolarHBondContact OE1-NZ 3.09Å; E381-K687 IonicContact OE2-NZ 2.97Å
382D94.4Very high96.6Very high37 Ų3733.4 Ų33.420%0.19817%0.173CC..  trans-80.291.2179.4179.417.2000111.8R314 Y376 T380 S384R314-D382 IonicContact NH1-OD2 3.9Å; R314-D382 PolarHBondContact NH1-OD2 3.03Å; Y376-D382 HydrophobicContact CE1-CB 3.92Å; Y376-D382 PolarHBondContact OH-OD2 3.23Å; T380-D382 PolarHBondContact O-N 3.3Å; T380-D382 PolarHBondContact OG1-N 3.4Å; T380-D382 VanDerWaalsContact OG1-N 3.09Å; D382-S384 VanDerWaalsContact CG-OG 3.23Å; D382-S384 PolarHBondContact O-N 3.28Å; D382-S384 WeakPolarHBondContact OD1-CB 3.47Å; D382-S384 PolarHBondContact OD1-N 3Å; D382-S384 PolarHBondContact OD1-OG 3.33Å; D382-S384 PolarHBondContact OD2-OG 2.83Å
383L95.9Very high96.6Very high60 Ų6037.6 Ų37.631%0.31419%0.193SC..G310 helixtrans-67.5-15.1175.2-67.5174.8000113.8L377 E381 V385 F386 T387 F453 L454L377-L383 HydrophobicContact CD1-CD2 3.69Å; L377-L383 HydrophobicContact CD1-CG 4.44Å; E381-L383 PolarHBondContact O-N 2.99Å; E381-L383 VanDerWaalsContact O-N 3.08Å; L383-V385 PolarHBondContact O-N 3.05Å; L383-F386 PolarHBondContact O-N 3.06Å; L383-T387 PolarHBondContact O-N 2.84Å; L383-T387 VanDerWaalsContact O-N 3.1Å; L383-T387 PolarHBondContact O-OG1 3.42Å; L383-F453 HydrophobicContact CD2-CB 4.16Å; L383-L454 HydrophobicContact CD2-CD2 4.32Å
384S95.5Very high96.6Very high26 Ų2637.6 Ų37.618%0.18219%0.193CC..G310 helixtrans-64.6-28-179.675.80000112.4R314 D382 F386 T387 E388 G389R314-S384 PolarHBondContact NH1-OG 2.86Å; D382-S384 VanDerWaalsContact CG-OG 3.23Å; D382-S384 PolarHBondContact O-N 3.28Å; D382-S384 WeakPolarHBondContact OD1-CB 3.47Å; D382-S384 PolarHBondContact OD1-N 3Å; D382-S384 PolarHBondContact OD1-OG 3.33Å; D382-S384 PolarHBondContact OD2-OG 2.83Å; S384-F386 PolarHBondContact O-N 3.38Å; S384-T387 WeakPolarHBondContact CA-OG1 3.39Å; S384-T387 PolarHBondContact O-N 2.86Å; S384-E388 PolarHBondContact O-N 3.15Å; S384-G389 PolarHBondContact O-N 3.07Å
385V95.6Very high96.6Very high3 Ų336.2 Ų36.22%0.01819%0.186CC..G310 helixtrans-61.2-33.9172.8171.40000111.4R314 L317 F373 Y376 L383 G389 K390 G391R314-V385 HydrophobicContact CG-CG2 3.84Å; L317-V385 HydrophobicContact CD1-CG1 4.11Å; F373-V385 HydrophobicContact CD1-CG1 4.32Å; F373-V385 HydrophobicContact CE1-CG1 4.07Å; Y376-V385 HydrophobicContact CD1-CB 4.36Å; Y376-V385 HydrophobicContact CD1-CG2 4.11Å; Y376-V385 HydrophobicContact CE1-CB 4Å; Y376-V385 HydrophobicContact CE1-CG1 4.48Å; Y376-V385 HydrophobicContact CE1-CG2 3.33Å; L383-V385 PolarHBondContact O-N 3.05Å; V385-G389 CarbonylContact O-C 3.54Å; V385-G389 VanDerWaalsContact O-CA 3.28Å; V385-G389 WeakPolarHBondContact O-CA 3.35Å; V385-K390 PolarHBondContact O-N 2.78Å; V385-G391 WeakPolarHBondContact O-CA 3.28Å; V385-G391 PolarHBondContact O-N 2.84Å
386F97.9Very high96.7Very high0 Ų036.3 Ų36.30%019%0.187CC..THydrogen-bonded Turntrans-87.3-31.5-178.3-60.4-85000113.2F373 L377 L383 S384 S392 I395 F446 L450 L454F373-F386 HydrophobicContact CB-CE1 4.1Å; F373-F386 HydrophobicContact CB-CZ 4.25Å; F373-F386 HydrophobicContact CD1-CD1 4.39Å; F373-F386 AromaticContact CD1-CE1 3.7Å; F373-F386 HydrophobicContact CD1-CE1 3.7Å; F373-F386 HydrophobicContact CD1-CZ 4.11Å; F373-F386 HydrophobicContact CG-CE1 4.34Å; L377-F386 HydrophobicContact CB-CE2 3.82Å; L377-F386 HydrophobicContact CB-CZ 3.93Å; L377-F386 HydrophobicContact CD1-CD2 4.35Å; L377-F386 HydrophobicContact CD1-CE2 3.81Å; L377-F386 HydrophobicContact CD2-CE2 4.35Å; L377-F386 HydrophobicContact CD2-CZ 4.5Å; L377-F386 HydrophobicContact CG-CE2 4.19Å; L383-F386 PolarHBondContact O-N 3.06Å; S384-F386 PolarHBondContact O-N 3.38Å; F386-S392 VanDerWaalsContact O-CB 3.32Å; F386-S392 WeakPolarHBondContact O-CB 3.43Å; F386-S392 PolarHBondContact O-N 3.47Å; F386-S392 VanDerWaalsContact O-N 3.08Å; F386-S392 PolarHBondContact O-OG 3.1Å; F386-I395 HydrophobicContact CD1-CG1 4.46Å; F386-I395 HydrophobicContact CE1-CG1 4.12Å; F386-F446 HydrophobicContact CE1-CE1 4.26Å; F386-F446 HydrophobicContact CE1-CZ 4.03Å; F386-F446 HydrophobicContact CZ-CZ 4.01Å; F386-L450 HydrophobicContact CB-CD1 4.15Å; F386-L450 HydrophobicContact CD1-CD1 3.71Å; F386-L450 HydrophobicContact CD1-CD2 3.44Å; F386-L450 VanDerWaalsContact CD1-CD2 3.44Å; F386-L450 HydrophobicContact CD1-CG 4.23Å; F386-L450 HydrophobicContact CD2-CD1 4.18Å; F386-L450 HydrophobicContact CE1-CD1 4.11Å; F386-L450 HydrophobicContact CE1-CD2 3.85Å; F386-L450 HydrophobicContact CG-CD1 3.73Å; F386-L450 HydrophobicContact CG-CD2 4.21Å; F386-L454 HydrophobicContact CB-CD1 4.31Å
387T96.1Very high96.7Very high77 Ų7736.3 Ų36.347%0.47219%0.189SC..THydrogen-bonded Turntrans-89.4-74.7-179.756.20000111.7L383 S384 K390 L454L383-T387 PolarHBondContact O-N 2.84Å; L383-T387 VanDerWaalsContact O-N 3.1Å; L383-T387 PolarHBondContact O-OG1 3.42Å; S384-T387 WeakPolarHBondContact CA-OG1 3.39Å; S384-T387 PolarHBondContact O-N 2.86Å; T387-K390 PolarHBondContact O-N 3.37Å; T387-L454 HydrophobicContact CG2-CD2 3.67Å
388E93.7Very high96.7Very high157 Ų15736.1 Ų36.173%0.73419%0.188SC*.THydrogen-bonded Turntrans-68.4-41.2-178.5-62.9173-171.100111.5S384 K390S384-E388 PolarHBondContact O-N 3.15Å; E388-K390 PolarHBondContact O-N 3.34Å
389G92.1Very high96.8Very high16 Ų1634.9 Ų34.917%0.16518%0.183CC..THydrogen-bonded Turntrans-79.52.8177.600000114.3V321 S384 V385 G391V321-G389 WeakPolarHBondContact CG1-O 3.35Å; V321-G389 WeakPolarHBondContact CG2-O 3.28Å; S384-G389 PolarHBondContact O-N 3.07Å; V385-G389 CarbonylContact O-C 3.54Å; V385-G389 VanDerWaalsContact O-CA 3.28Å; V385-G389 WeakPolarHBondContact O-CA 3.35Å; G389-G391 PolarHBondContact O-N 3.42Å
390K97Very high96.9Very high106 Ų10638 Ų3846%0.46120%0.2SC..  trans57.417.1177.2-56.5-179.7167.1-159.80116.3V321 V385 T387 E388 S392 E393V321-K390 HydrophobicContact CG1-CB 3.93Å; V385-K390 PolarHBondContact O-N 2.78Å; T387-K390 PolarHBondContact O-N 3.37Å; E388-K390 PolarHBondContact O-N 3.34Å; K390-S392 PolarHBondContact O-N 3.41Å; K390-S392 VanDerWaalsContact O-N 3.12Å; K390-E393 HydrophobicContact CB-CG 4.3Å; K390-E393 WeakPolarHBondContact CD-OE1 3.35Å; K390-E393 IonicContact NZ-OE1 2.64Å; K390-E393 WeakPolarHBondContact O-CB 3.38Å; K390-E393 PolarHBondContact O-N 3.05Å
391G98.2Very high97.1Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-57.8-26.2175.200000113.6V385 G389 E393 V394 I395V385-G391 WeakPolarHBondContact O-CA 3.28Å; V385-G391 PolarHBondContact O-N 2.84Å; G389-G391 PolarHBondContact O-N 3.42Å; G391-E393 VanDerWaalsContact C-N 3.29Å; G391-E393 PolarHBondContact O-N 3.35Å; G391-V394 WeakPolarHBondContact O-CB 3.34Å; G391-V394 PolarHBondContact O-N 3.35Å; G391-I395 WeakPolarHBondContact O-CG1 3.47Å; G391-I395 PolarHBondContact O-N 3.47Å; G391-I395 VanDerWaalsContact O-N 3.16Å
392S98.4Very high97.3Very high24 Ų2433.7 Ų33.717%0.16818%0.178CC..Hα-helixtrans-63.3-32.517355.50000113.3F386 K390 V394 I395 F396F386-S392 VanDerWaalsContact O-CB 3.32Å; F386-S392 WeakPolarHBondContact O-CB 3.43Å; F386-S392 PolarHBondContact O-N 3.47Å; F386-S392 VanDerWaalsContact O-N 3.08Å; F386-S392 PolarHBondContact O-OG 3.1Å; K390-S392 PolarHBondContact O-N 3.41Å; K390-S392 VanDerWaalsContact O-N 3.12Å; S392-V394 VanDerWaalsContact C-N 3.3Å; S392-V394 PolarHBondContact O-N 3.2Å; S392-I395 PolarHBondContact O-N 3.34Å; S392-F396 WeakPolarHBondContact O-CB 3.38Å; S392-F396 WeakPolarHBondContact O-CD2 3.13Å; S392-F396 VanDerWaalsContact O-CG 3.22Å; S392-F396 WeakPolarHBondContact O-CG 3.36Å; S392-F396 PolarHBondContact O-N 2.98Å
393E98.5Very high97.5Very high91 Ų9133.8 Ų33.843%0.42518%0.18SC..Hα-helixtrans-63.6-38.2174.8-62.6-176.2-150.400111I324 L339 K390 G391 G397I324-E393 HydrophobicContact CD1-CB 3.96Å; L339-E393 WeakPolarHBondContact CD1-O 3.5Å; K390-E393 HydrophobicContact CB-CG 4.3Å; K390-E393 WeakPolarHBondContact CD-OE1 3.35Å; K390-E393 IonicContact NZ-OE1 2.64Å; K390-E393 WeakPolarHBondContact O-CB 3.38Å; K390-E393 PolarHBondContact O-N 3.05Å; G391-E393 VanDerWaalsContact C-N 3.29Å; G391-E393 PolarHBondContact O-N 3.35Å; E393-G397 WeakPolarHBondContact O-CA 3.33Å; E393-G397 PolarHBondContact O-N 3Å
394V98.8Very high97.6Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-62.6-54.7175.2178.20000110.5V321 I324 F341 V369 F373 G391 S392 G397 V398V321-V394 HydrophobicContact CG2-CG2 3.89Å; I324-V394 HydrophobicContact CD1-CG2 3.71Å; I324-V394 HydrophobicContact CG1-CG2 3.92Å; F341-V394 HydrophobicContact CE2-CG1 3.75Å; F341-V394 HydrophobicContact CZ-CG1 3.82Å; F341-V394 HydrophobicContact CZ-CG2 4.43Å; V369-V394 HydrophobicContact CG1-CG1 3.96Å; F373-V394 HydrophobicContact CD2-CG1 4.35Å; F373-V394 HydrophobicContact CE2-CB 4.34Å; F373-V394 HydrophobicContact CE2-CG1 3.86Å; F373-V394 HydrophobicContact CE2-CG2 4.45Å; F373-V394 HydrophobicContact CZ-CB 4.27Å; F373-V394 HydrophobicContact CZ-CG1 4.28Å; F373-V394 HydrophobicContact CZ-CG2 4.1Å; G391-V394 WeakPolarHBondContact O-CB 3.34Å; G391-V394 PolarHBondContact O-N 3.35Å; S392-V394 VanDerWaalsContact C-N 3.3Å; S392-V394 PolarHBondContact O-N 3.2Å; V394-G397 PolarHBondContact O-N 3.4Å; V394-V398 WeakPolarHBondContact O-CG2 3.47Å; V394-V398 PolarHBondContact O-N 2.99Å
395I98.9Very high97.8Very high1 Ų131.9 Ų31.91%0.00517%0.17CC..Hα-helixtrans-65.5-47.3-173-59.5-51.1000111.8T370 F373 F386 G391 S392 V398 A399 F446 A447 L450T370-I395 HydrophobicContact CG2-CD1 3.9Å; F373-I395 HydrophobicContact CB-CD1 3.72Å; F373-I395 HydrophobicContact CB-CG1 4.44Å; F373-I395 HydrophobicContact CD2-CD1 4.2Å; F373-I395 HydrophobicContact CG-CD1 3.95Å; F386-I395 HydrophobicContact CD1-CG1 4.46Å; F386-I395 HydrophobicContact CE1-CG1 4.12Å; G391-I395 WeakPolarHBondContact O-CG1 3.47Å; G391-I395 PolarHBondContact O-N 3.47Å; G391-I395 VanDerWaalsContact O-N 3.16Å; S392-I395 PolarHBondContact O-N 3.34Å; I395-V398 PolarHBondContact O-N 3.39Å; I395-A399 WeakPolarHBondContact O-CB 3.38Å; I395-A399 PolarHBondContact O-N 3.21Å; I395-F446 HydrophobicContact CD1-CD1 4.01Å; I395-F446 HydrophobicContact CD1-CE1 3.71Å; I395-F446 HydrophobicContact CG1-CD1 4.29Å; I395-F446 HydrophobicContact CG1-CE1 3.81Å; I395-F446 HydrophobicContact CG2-CD1 3.9Å; I395-F446 HydrophobicContact CG2-CE1 4.15Å; I395-A447 HydrophobicContact CG2-CB 3.81Å; I395-L450 HydrophobicContact CB-CD2 3.76Å; I395-L450 HydrophobicContact CG1-CD2 3.83Å; I395-L450 HydrophobicContact CG2-CD2 3.88Å
396F98.8Very high97.9Very high31 Ų3132.4 Ų32.414%0.13617%0.173CC..Hα-helixtrans-69.2-36.8179-58.9-20.3000111.5S392 A399 D400 A447 L450 A451 L454 W462S392-F396 WeakPolarHBondContact O-CB 3.38Å; S392-F396 WeakPolarHBondContact O-CD2 3.13Å; S392-F396 VanDerWaalsContact O-CG 3.22Å; S392-F396 WeakPolarHBondContact O-CG 3.36Å; S392-F396 PolarHBondContact O-N 2.98Å; F396-A399 PolarHBondContact O-N 2.97Å; F396-D400 PolarHBondContact O-N 3.47Å; F396-A447 HydrophobicContact CD1-CB 4.37Å; F396-L450 HydrophobicContact CE1-CB 4.38Å; F396-L450 HydrophobicContact CE1-CD2 4.14Å; F396-L450 HydrophobicContact CE1-CG 4.29Å; F396-L450 HydrophobicContact CZ-CD2 4.46Å; F396-L450 HydrophobicContact CZ-CG 4.44Å; F396-A451 HydrophobicContact CE1-CB 4.13Å; F396-A451 HydrophobicContact CZ-CB 4.1Å; F396-L454 HydrophobicContact CZ-CD1 4.28Å; F396-W462 HydrophobicContact CB-CH2 3.68Å; F396-W462 HydrophobicContact CB-CZ2 3.99Å; F396-W462 AromaticContact CD1-CH2 3.36Å; F396-W462 HydrophobicContact CD1-CH2 3.36Å; F396-W462 HydrophobicContact CD1-CZ2 4.38Å; F396-W462 AromaticContact CD1-CZ3 3.59Å; F396-W462 HydrophobicContact CD1-CZ3 3.59Å; F396-W462 HydrophobicContact CD2-CH2 4.32Å; F396-W462 HydrophobicContact CE1-CH2 4.05Å; F396-W462 AromaticContact CE1-CZ3 3.92Å; F396-W462 HydrophobicContact CE1-CZ3 3.92Å; F396-W462 AromaticContact CG-CH2 3.52Å; F396-W462 HydrophobicContact CG-CH2 3.52Å; F396-W462 HydrophobicContact CG-CZ2 4.34Å; F396-W462 HydrophobicContact CG-CZ3 4.23Å
397G98.8Very high98Very high9 Ų937.9 Ų37.99%0.09320%0.196CC..Hα-helixtrans-62.4-42.7175.100000113G338 L339 E393 V394 D400 Y401G338-G397 CarbonylContact C-O 3.6Å; G338-G397 WeakPolarHBondContact CA-O 3.43Å; L339-G397 PolarHBondContact N-O 3.44Å; E393-G397 WeakPolarHBondContact O-CA 3.33Å; E393-G397 PolarHBondContact O-N 3Å; V394-G397 PolarHBondContact O-N 3.4Å; G397-D400 PolarHBondContact O-N 3.38Å; G397-Y401 PolarHBondContact O-N 2.84Å
398V98.9Very high98.1Very high0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-68-39174.9168.90000111.5L339 F341 N366 T370 V394 I395 D400 Y401 W402L339-V398 HydrophobicContact CB-CG2 4.46Å; F341-V398 HydrophobicContact CD2-CG2 4.21Å; F341-V398 HydrophobicContact CE2-CG2 3.96Å; N366-V398 HydrophobicContact CB-CG1 3.81Å; N366-V398 HydrophobicContact CB-CG2 4.36Å; T370-V398 HydrophobicContact CG2-CB 3.92Å; T370-V398 HydrophobicContact CG2-CG1 3.6Å; T370-V398 HydrophobicContact CG2-CG2 4.29Å; V394-V398 WeakPolarHBondContact O-CG2 3.47Å; V394-V398 PolarHBondContact O-N 2.99Å; I395-V398 PolarHBondContact O-N 3.39Å; V398-D400 VanDerWaalsContact C-N 3.34Å; V398-D400 PolarHBondContact O-N 3.47Å; V398-Y401 WeakPolarHBondContact O-CB 3.49Å; V398-Y401 PolarHBondContact O-N 3.28Å; V398-Y401 VanDerWaalsContact O-N 3.16Å; V398-W402 VanDerWaalsContact O-CD1 3.25Å; V398-W402 PolarHBondContact O-N 3.47Å
399A98.9Very high98.3Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-59.3-44.8174.500000112I395 F396 Y401 W402 V403 L444 A447 W462I395-A399 WeakPolarHBondContact O-CB 3.38Å; I395-A399 PolarHBondContact O-N 3.21Å; F396-A399 PolarHBondContact O-N 2.97Å; A399-Y401 VanDerWaalsContact C-N 3.3Å; A399-Y401 PolarHBondContact O-N 3.03Å; A399-W402 PolarHBondContact O-N 3.11Å; A399-V403 PolarHBondContact O-N 3.4Å; A399-L444 HydrophobicContact CB-CD2 3.88Å; A399-A447 HydrophobicContact CB-CB 3.6Å; A399-W462 HydrophobicContact CB-CD2 3.89Å; A399-W462 HydrophobicContact CB-CE3 4.48Å; A399-W462 HydrophobicContact CB-CG 4.13Å; A399-W462 HydrophobicContact CB-CZ2 4.17Å
400D98.9Very high98.5Very high70 Ų7036.4 Ų36.437%0.37418%0.184SC..Hα-helixtrans-64.1-34.3175.1-78.4-11.1000112.8F396 G397 V398 S404 W462F396-D400 PolarHBondContact O-N 3.47Å; G397-D400 PolarHBondContact O-N 3.38Å; V398-D400 VanDerWaalsContact C-N 3.34Å; V398-D400 PolarHBondContact O-N 3.47Å; D400-S404 WeakPolarHBondContact O-CB 3.3Å; D400-S404 PolarHBondContact O-N 2.8Å; D400-S404 PolarHBondContact O-OG 2.87Å; D400-W462 PolarHBondContact OD1-NE1 2.85Å
401Y98.9Very high98.5Very high0 Ų038.5 Ų38.50%020%0.2CC..Hα-helixtrans-61.4-52.6172.4170.8-101.1000110.9A331 Y336 K337 L339 K340 I363 G397 V398 A399 V403 S404 R405A331-Y401 HydrophobicContact CB-CD2 4.31Å; Y336-Y401 AromaticContact CD2-CE2 3.92Å; Y336-Y401 HydrophobicContact CD2-CE2 3.92Å; Y336-Y401 HydrophobicContact CG-CD2 4.46Å; Y336-Y401 HydrophobicContact CG-CE2 4.01Å; K337-Y401 VanDerWaalsContact O-CA 3.27Å; K337-Y401 WeakPolarHBondContact O-CA 3.36Å; K337-Y401 WeakPolarHBondContact O-CB 3.38Å; L339-Y401 VanDerWaalsContact O-CB 3.27Å; L339-Y401 WeakPolarHBondContact O-CB 3.37Å; K340-Y401 HydrophobicContact CB-CD2 3.91Å; K340-Y401 HydrophobicContact CB-CE2 3.75Å; K340-Y401 HydrophobicContact CB-CG 4.46Å; K340-Y401 HydrophobicContact CD-CE2 4.05Å; K340-Y401 HydrophobicContact CG-CE1 4.47Å; K340-Y401 HydrophobicContact CG-CE2 3.92Å; I363-Y401 WeakPolarHBondContact CG2-OH 3.28Å; G397-Y401 PolarHBondContact O-N 2.84Å; V398-Y401 WeakPolarHBondContact O-CB 3.49Å; V398-Y401 PolarHBondContact O-N 3.28Å; V398-Y401 VanDerWaalsContact O-N 3.16Å; A399-Y401 VanDerWaalsContact C-N 3.3Å; A399-Y401 PolarHBondContact O-N 3.03Å; Y401-V403 PolarHBondContact O-N 3.37Å; Y401-S404 CarbonylContact O-C 3.57Å; Y401-S404 WeakPolarHBondContact O-CA 3.15Å; Y401-S404 PolarHBondContact O-N 3.08Å; Y401-S404 PolarHBondContact O-OG 3.26Å; Y401-R405 HydrophobicContact CE1-CB 4.42Å; Y401-R405 HydrophobicContact CE1-CG 4.43Å; Y401-R405 WeakPolarHBondContact O-CB 3.5Å; Y401-R405 PolarHBondContact O-N 2.87Å
402W98.9Very high98.4Very high0 Ų041.5 Ų41.50%022%0.216CC..Hα-helixtrans-57.3-47.5179.5-71.6129.2000112.6I363 N366 V398 A399 S404 R405 V406 L417 T436 A440 S443 L444I363-W402 HydrophobicContact CD1-CH2 4.27Å; I363-W402 HydrophobicContact CD1-CZ3 3.71Å; I363-W402 HydrophobicContact CG1-CH2 4.06Å; I363-W402 HydrophobicContact CG1-CZ3 4.02Å; I363-W402 VanDerWaalsContact O-CH2 3.29Å; I363-W402 WeakPolarHBondContact O-CH2 3.45Å; N366-W402 HydrophobicContact CB-CZ2 3.8Å; V398-W402 VanDerWaalsContact O-CD1 3.25Å; V398-W402 PolarHBondContact O-N 3.47Å; A399-W402 PolarHBondContact O-N 3.11Å; W402-S404 PolarHBondContact O-N 3.41Å; W402-R405 PolarHBondContact O-N 3.41Å; W402-V406 PolarHBondContact O-N 2.99Å; W402-V406 VanDerWaalsContact O-N 3.08Å; W402-L417 HydrophobicContact CE3-CD1 4.1Å; W402-L417 HydrophobicContact CE3-CD2 4.31Å; W402-L417 HydrophobicContact CZ3-CD1 3.75Å; W402-L417 HydrophobicContact CZ3-CD2 4.33Å; W402-T436 HydrophobicContact CH2-CG2 4.08Å; W402-T436 HydrophobicContact CZ3-CG2 4.34Å; W402-A440 HydrophobicContact CD2-CB 3.5Å; W402-A440 HydrophobicContact CE3-CB 3.64Å; W402-A440 HydrophobicContact CG-CB 4.02Å; W402-A440 HydrophobicContact CH2-CB 4.05Å; W402-A440 HydrophobicContact CZ2-CB 3.91Å; W402-A440 HydrophobicContact CZ3-CB 3.91Å; W402-S443 PolarHBondContact NE1-OG 2.92Å; W402-L444 HydrophobicContact CB-CD1 4.27Å; W402-L444 HydrophobicContact CB-CD2 4.12Å; W402-L444 HydrophobicContact CB-CG 4.25Å
403V98.9Very high98.3Very high39 Ų3945.5 Ų45.524%0.23623%0.232CC..Hα-helixtrans-59.5-36.9176.2170.60000111.8A399 Y401 R405 V406 L444 E461 V465A399-V403 PolarHBondContact O-N 3.4Å; Y401-V403 PolarHBondContact O-N 3.37Å; V403-R405 VanDerWaalsContact C-N 3.34Å; V403-V406 WeakPolarHBondContact O-CG2 3.42Å; V403-L444 HydrophobicContact CG2-CD2 3.98Å; V403-E461 HydrophobicContact CG1-CB 3.9Å; V403-E461 HydrophobicContact CG2-CB 4.3Å; V403-V465 HydrophobicContact CG2-CB 4.42Å; V403-V465 HydrophobicContact CG2-CG2 4.09Å
404S98.7Very high98.3Very high31 Ų3144.5 Ų44.522%0.21723%0.227CC..Hα-helixtrans-76-21.5176.979.50000114.1K337 D400 Y401 W402K337-S404 PolarHBondContact N-OG 3.4Å; D400-S404 WeakPolarHBondContact O-CB 3.3Å; D400-S404 PolarHBondContact O-N 2.8Å; D400-S404 PolarHBondContact O-OG 2.87Å; Y401-S404 CarbonylContact O-C 3.57Å; Y401-S404 WeakPolarHBondContact O-CA 3.15Å; Y401-S404 PolarHBondContact O-N 3.08Å; Y401-S404 PolarHBondContact O-OG 3.26Å; W402-S404 PolarHBondContact O-N 3.41Å
405R98.6Very high98.3Very high15 Ų1546.2 Ų46.26%0.05723%0.233CC..Hα-helixtrans-90-32.5-173.9-177.559.3179.680.6-4.2113.6Y336 I363 Y401 W402 V403 L417 L418 G419Y336-R405 HydrophobicContact CD1-CB 4.39Å; Y336-R405 HydrophobicContact CE1-CB 4.41Å; Y336-R405 VanDerWaalsContact CE1-CD 3.46Å; Y336-R405 WeakPolarHBondContact OH-CD 3.21Å; Y336-R405 PolarHBondContact OH-NE 3.19Å; I363-R405 HydrophobicContact CD1-CG 3.92Å; Y401-R405 HydrophobicContact CE1-CB 4.42Å; Y401-R405 HydrophobicContact CE1-CG 4.43Å; Y401-R405 WeakPolarHBondContact O-CB 3.5Å; Y401-R405 PolarHBondContact O-N 2.87Å; W402-R405 PolarHBondContact O-N 3.41Å; V403-R405 VanDerWaalsContact C-N 3.34Å; R405-L417 HydrophobicContact CB-CD2 4.24Å; R405-L417 HydrophobicContact CG-CD2 3.65Å; R405-L418 PolarHBondContact NH1-O 3.06Å; R405-L418 PolarHBondContact NH2-O 3.28Å; R405-G419 PolarHBondContact NH2-O 3.43Å
406V98.6Very high98.3Very high14 Ų1447 Ų479%0.08524%0.237CC..  trans-68.7155.6-179.8-67.60000113W402 V403 Y415 H416 L417 V465 I469W402-V406 PolarHBondContact O-N 2.99Å; W402-V406 VanDerWaalsContact O-N 3.08Å; V403-V406 WeakPolarHBondContact O-CG2 3.42Å; V406-Y415 HydrophobicContact CB-CD1 4.11Å; V406-Y415 HydrophobicContact CB-CG 4.45Å; V406-Y415 HydrophobicContact CG2-CD1 3.64Å; V406-Y415 HydrophobicContact CG2-CE1 4.27Å; V406-Y415 HydrophobicContact CG2-CG 4.21Å; V406-H416 WeakPolarHBondContact CA-O 3.46Å; V406-L417 HydrophobicContact CB-CD2 4.47Å; V406-L417 HydrophobicContact CG1-CD2 3.65Å; V406-L417 HydrophobicContact CG1-CG 4.01Å; V406-V465 HydrophobicContact CB-CG1 4.47Å; V406-V465 HydrophobicContact CG1-CG1 3.94Å; V406-V465 HydrophobicContact CG2-CG1 3.9Å; V406-V465 HydrophobicContact CG2-CG2 4Å; V406-I469 HydrophobicContact CG1-CD1 4.16Å
407K98.5Very high98.3Very high114 Ų11445.6 Ų45.650%0.49623%0.231SC..EExtended strand (participates in β ladder)trans-119.2126.6172.7-63.4-60.6-177.3-170.40110Y415 H416 L418K407-Y415 CarbonylContact O-C 3.57Å; K407-Y415 WeakPolarHBondContact O-CA 3.45Å; K407-H416 PolarHBondContact N-O 3.24Å; K407-H416 PolarHBondContact O-N 3.25Å; K407-L418 HydrophobicContact CB-CD1 4.3Å; K407-L418 HydrophobicContact CG-CD1 4.09Å
408W98.4Very high98.3Very high95 Ų9548.5 Ų48.536%0.3624%0.244SC..EExtended strand (participates in β ladder)trans-74129.9172.6177.6-105.5000110.6Q413 Y415 R468W408-Q413 HydrophobicContact CH2-CB 3.86Å; W408-Q413 WeakPolarHBondContact CH2-O 3.36Å; W408-Q413 HydrophobicContact CZ2-CB 4.03Å; W408-Q413 HydrophobicContact CZ2-CG 4.48Å; W408-Q413 VanDerWaalsContact CZ3-C 3.47Å; W408-Q413 VanDerWaalsContact CZ3-O 3.28Å; W408-Q413 WeakPolarHBondContact CZ3-O 3.23Å; W408-Y415 HydrophobicContact CB-CD1 4.09Å; W408-Y415 HydrophobicContact CB-CE1 3.87Å; W408-Y415 HydrophobicContact CD2-CE1 4.37Å; W408-Y415 AromaticContact CE3-CD1 3.93Å; W408-Y415 HydrophobicContact CE3-CD1 3.93Å; W408-Y415 AromaticContact CE3-CD2 3.8Å; W408-Y415 HydrophobicContact CE3-CD2 3.8Å; W408-Y415 AromaticContact CE3-CE1 3.73Å; W408-Y415 HydrophobicContact CE3-CE1 3.73Å; W408-Y415 AromaticContact CE3-CE2 3.57Å; W408-Y415 HydrophobicContact CE3-CE2 3.57Å; W408-Y415 AromaticContact CE3-CG 3.97Å; W408-Y415 HydrophobicContact CE3-CG 3.97Å; W408-Y415 AromaticContact CE3-CZ 3.54Å; W408-Y415 HydrophobicContact CG-CE1 4.49Å; W408-Y415 AromaticContact CZ3-CD2 3.96Å; W408-Y415 HydrophobicContact CZ3-CD2 3.96Å; W408-Y415 AromaticContact CZ3-CE2 3.68Å; W408-Y415 HydrophobicContact CZ3-CE2 3.68Å; W408-R468 HydrophobicContact CZ3-CB 4.44Å
409N97.8Very high98.2Very high46 Ų4649.2 Ų49.225%0.24625%0.251CS..EExtended strand (participates in β ladder)trans-106.4115.4170.4-179.18.6000109.7D411 D412 Q413 K414 H416N409-D411 PolarHBondContact O-N 2.84Å; N409-D411 PolarHBondContact OD1-N 2.99Å; N409-D411 VanDerWaalsContact OD1-N 3.08Å; N409-D412 VanDerWaalsContact CB-OD1 3.32Å; N409-D412 WeakPolarHBondContact CB-OD1 3.25Å; N409-D412 PolarHBondContact ND2-OD1 3.02Å; N409-D412 PolarHBondContact ND2-OD2 3.48Å; N409-Q413 WeakPolarHBondContact O-CA 3.36Å; N409-Q413 PolarHBondContact O-N 2.94Å; N409-K414 PolarHBondContact N-O 3.48Å; N409-K414 PolarHBondContact O-N 3.25Å; N409-H416 WeakPolarHBondContact CB-CD2 3.24Å; N409-H416 WeakPolarHBondContact CB-NE2 3.46Å
410P96.4Very high98.2Very high78 Ų7849.2 Ų49.251%0.50625%0.251SS..THydrogen-bonded Turntrans-71.4-17.7-179.930.2-35.6000113.5Q413P410-Q413 PolarHBondContact O-NE2 2.53Å
411D96.9Very high98.2Very high150 Ų15046 Ų4680%0.80223%0.234SC*.THydrogen-bonded Turntrans-77.3-39.3-173.4-66.9-23.8000112.2N409N409-D411 PolarHBondContact O-N 2.84Å; N409-D411 PolarHBondContact OD1-N 2.99Å; N409-D411 VanDerWaalsContact OD1-N 3.08Å
412D96.4Very high98.2Very high63 Ų6346 Ų4634%0.33723%0.234SC..THydrogen-bonded Turntrans-106.8-3.6176.557.421.1000113.6N409 K414 H416N409-D412 VanDerWaalsContact CB-OD1 3.32Å; N409-D412 WeakPolarHBondContact CB-OD1 3.25Å; N409-D412 PolarHBondContact ND2-OD1 3.02Å; N409-D412 PolarHBondContact ND2-OD2 3.48Å; D412-K414 VanDerWaalsContact C-N 3.29Å; D412-K414 PolarHBondContact O-N 2.88Å; D412-K414 PolarHBondContact OD1-N 2.91Å; D412-H416 IonicContact OD1-NE2 3.3Å; D412-H416 PolarHBondContact OD1-NE2 3.48Å; D412-H416 IonicContact OD2-CE1 3.22Å; D412-H416 PolarHBondContact OD2-CE1 2.76Å; D412-H416 IonicContact OD2-NE2 3Å; D412-H416 PolarHBondContact OD2-NE2 3.01Å
413Q97.6Very high98.1Very high108 Ų10846 Ų4651%0.50523%0.234SC..THydrogen-bonded Turntrans59.837-178.7-57.1-76.6-62.900112.8W408 N409 P410W408-Q413 HydrophobicContact CH2-CB 3.86Å; W408-Q413 WeakPolarHBondContact CH2-O 3.36Å; W408-Q413 HydrophobicContact CZ2-CB 4.03Å; W408-Q413 HydrophobicContact CZ2-CG 4.48Å; W408-Q413 VanDerWaalsContact CZ3-C 3.47Å; W408-Q413 VanDerWaalsContact CZ3-O 3.28Å; W408-Q413 WeakPolarHBondContact CZ3-O 3.23Å; N409-Q413 WeakPolarHBondContact O-CA 3.36Å; N409-Q413 PolarHBondContact O-N 2.94Å; P410-Q413 PolarHBondContact O-NE2 2.53Å
414K98.4Very high98.1Very high71 Ų7144.1 Ų44.131%0.30922%0.223SC..EExtended strand (participates in β ladder)trans-121.1162.5178.1-64.9-175.4-175.2178.50112.9N409 D412 R468 E470N409-K414 PolarHBondContact N-O 3.48Å; N409-K414 PolarHBondContact O-N 3.25Å; D412-K414 VanDerWaalsContact C-N 3.29Å; D412-K414 PolarHBondContact O-N 2.88Å; D412-K414 PolarHBondContact OD1-N 2.91Å; K414-R468 CarbonylContact C-O 3.59Å; K414-R468 VanDerWaalsContact CA-O 3.28Å; K414-R468 WeakPolarHBondContact CA-O 3.39Å; K414-R468 WeakPolarHBondContact CB-O 3.11Å; K414-E470 HydrophobicContact CB-CB 4.45Å; K414-E470 HydrophobicContact CD-CB 4.05Å; K414-E470 HydrophobicContact CD-CG 4.32Å; K414-E470 WeakPolarHBondContact CD-OE2 3.43Å; K414-E470 WeakPolarHBondContact CE-OE2 3.42Å; K414-E470 IonicContact NZ-OE1 3.7Å; K414-E470 PolarHBondContact NZ-OE1 3.47Å; K414-E470 IonicContact NZ-OE2 3.55Å; K414-E470 PolarHBondContact NZ-OE2 3.12Å
415Y98.8Very high98Very high35 Ų3544.2 Ų44.214%0.13722%0.219CC..EExtended strand (participates in β ladder)trans-94.9136.4166.7-69.4-81.7000110.3V406 K407 W408 E464 V465 R468 I469 E470V406-Y415 HydrophobicContact CB-CD1 4.11Å; V406-Y415 HydrophobicContact CB-CG 4.45Å; V406-Y415 HydrophobicContact CG2-CD1 3.64Å; V406-Y415 HydrophobicContact CG2-CE1 4.27Å; V406-Y415 HydrophobicContact CG2-CG 4.21Å; K407-Y415 CarbonylContact O-C 3.57Å; K407-Y415 WeakPolarHBondContact O-CA 3.45Å; W408-Y415 HydrophobicContact CB-CD1 4.09Å; W408-Y415 HydrophobicContact CB-CE1 3.87Å; W408-Y415 HydrophobicContact CD2-CE1 4.37Å; W408-Y415 AromaticContact CE3-CD1 3.93Å; W408-Y415 HydrophobicContact CE3-CD1 3.93Å; W408-Y415 AromaticContact CE3-CD2 3.8Å; W408-Y415 HydrophobicContact CE3-CD2 3.8Å; W408-Y415 AromaticContact CE3-CE1 3.73Å; W408-Y415 HydrophobicContact CE3-CE1 3.73Å; W408-Y415 AromaticContact CE3-CE2 3.57Å; W408-Y415 HydrophobicContact CE3-CE2 3.57Å; W408-Y415 AromaticContact CE3-CG 3.97Å; W408-Y415 HydrophobicContact CE3-CG 3.97Å; W408-Y415 AromaticContact CE3-CZ 3.54Å; W408-Y415 HydrophobicContact CG-CE1 4.49Å; W408-Y415 AromaticContact CZ3-CD2 3.96Å; W408-Y415 HydrophobicContact CZ3-CD2 3.96Å; W408-Y415 AromaticContact CZ3-CE2 3.68Å; W408-Y415 HydrophobicContact CZ3-CE2 3.68Å; Y415-E464 HydrophobicContact CE2-CG 4.05Å; Y415-V465 HydrophobicContact CD1-CG2 4.22Å; Y415-V465 HydrophobicContact CD2-CB 4.29Å; Y415-V465 HydrophobicContact CD2-CG1 4.38Å; Y415-V465 HydrophobicContact CD2-CG2 4.04Å; Y415-V465 HydrophobicContact CE1-CG2 4.03Å; Y415-V465 HydrophobicContact CE2-CB 4.42Å; Y415-V465 HydrophobicContact CE2-CG2 3.85Å; Y415-V465 HydrophobicContact CG-CG1 4.33Å; Y415-V465 HydrophobicContact CG-CG2 4.22Å; Y415-R468 HydrophobicContact CD2-CB 3.82Å; Y415-R468 HydrophobicContact CE2-CB 4.17Å; Y415-R468 PolarHBondContact N-O 2.9Å; Y415-I469 CarbonylContact O-C 3.55Å; Y415-I469 WeakPolarHBondContact O-CA 3.4Å; Y415-E470 PolarHBondContact O-N 3Å
416H98.8Very high97.9Very high19 Ų1948.4 Ų48.49%0.08824%0.236CC..EExtended strand (participates in β ladder)trans-119.7143.9-179.2-62-97.2000111V406 K407 N409 D412 L418 N432V406-H416 WeakPolarHBondContact CA-O 3.46Å; K407-H416 PolarHBondContact N-O 3.24Å; K407-H416 PolarHBondContact O-N 3.25Å; N409-H416 WeakPolarHBondContact CB-CD2 3.24Å; N409-H416 WeakPolarHBondContact CB-NE2 3.46Å; D412-H416 IonicContact OD1-NE2 3.3Å; D412-H416 PolarHBondContact OD1-NE2 3.48Å; D412-H416 IonicContact OD2-CE1 3.22Å; D412-H416 PolarHBondContact OD2-CE1 2.76Å; D412-H416 IonicContact OD2-NE2 3Å; D412-H416 PolarHBondContact OD2-NE2 3.01Å; H416-L418 HydrophobicContact CB-CD2 3.78Å; H416-L418 HydrophobicContact CB-CG 4.37Å; H416-N432 VanDerWaalsContact CA-OD1 3.31Å; H416-N432 WeakPolarHBondContact CA-OD1 3.35Å; H416-N432 WeakPolarHBondContact CB-OD1 3.18Å; H416-N432 PolarHBondContact ND1-ND2 3.44Å; H416-N432 PolarHBondContact ND1-OD1 2.82Å
417L98.6Very high97.9Very high0 Ų049.4 Ų49.40%024%0.239CC..  trans-102.1113.7166.1-74.2174.6000107.9W402 R405 V406 V420 N432 T436 N437 A440 I469W402-L417 HydrophobicContact CE3-CD1 4.1Å; W402-L417 HydrophobicContact CE3-CD2 4.31Å; W402-L417 HydrophobicContact CZ3-CD1 3.75Å; W402-L417 HydrophobicContact CZ3-CD2 4.33Å; R405-L417 HydrophobicContact CB-CD2 4.24Å; R405-L417 HydrophobicContact CG-CD2 3.65Å; V406-L417 HydrophobicContact CB-CD2 4.47Å; V406-L417 HydrophobicContact CG1-CD2 3.65Å; V406-L417 HydrophobicContact CG1-CG 4.01Å; L417-V420 HydrophobicContact CB-CG1 4.29Å; L417-N432 PolarHBondContact N-OD1 3.37Å; L417-N432 VanDerWaalsContact N-OD1 3.09Å; L417-N432 PolarHBondContact O-N 2.92Å; L417-N432 PolarHBondContact O-OD1 2.88Å; L417-T436 HydrophobicContact CD1-CG2 4.02Å; L417-N437 WeakPolarHBondContact CB-OD1 3.1Å; L417-N437 WeakPolarHBondContact CD1-OD1 3.49Å; L417-A440 HydrophobicContact CD1-CB 4.08Å; L417-I469 HydrophobicContact CD1-CD1 4.03Å; L417-I469 HydrophobicContact CG-CD1 4.24Å
418L98.3Very high97.8Very high71 Ų7150.7 Ų50.737%0.37224%0.241SC..  trans-104.8147.1-175.5-51.3-179.7000111R405 K407 H416 N431R405-L418 PolarHBondContact NH1-O 3.06Å; R405-L418 PolarHBondContact NH2-O 3.28Å; K407-L418 HydrophobicContact CB-CD1 4.3Å; K407-L418 HydrophobicContact CG-CD1 4.09Å; H416-L418 HydrophobicContact CB-CD2 3.78Å; H416-L418 HydrophobicContact CB-CG 4.37Å; L418-N431 WeakPolarHBondContact CA-OD1 3.26Å; L418-N431 WeakPolarHBondContact CB-OD1 3.2Å; L418-N431 HydrophobicContact CD2-CB 3.89Å
419G97.8Very high97.8Very high14 Ų1451.2 Ų51.214%0.14425%0.251CS..SBendtrans60.556.2173.500000112.8R405 V430 N431R405-G419 PolarHBondContact NH2-O 3.43Å; G419-V430 WeakPolarHBondContact CA-O 3.3Å; G419-V430 PolarHBondContact N-O 3.43Å; G419-N431 PolarHBondContact N-OD1 2.8Å
420V98.3Very high97.8Very high0 Ų049.9 Ų49.90%024%0.244CC..BIsolated β-bridgetrans-112.5162.5177.9-58.20000110.8Q361 I363 L417 N429 V430Q361-V420 WeakPolarHBondContact O-CA 3.15Å; I363-V420 HydrophobicContact CD1-CG1 3.7Å; I363-V420 HydrophobicContact CG1-CG1 4.07Å; L417-V420 HydrophobicContact CB-CG1 4.29Å; V420-N429 PolarHBondContact O-N 3.45Å; V420-N429 VanDerWaalsContact O-N 3.11Å; V420-V430 HydrophobicContact CG2-CG2 4.23Å; V420-V430 PolarHBondContact N-O 2.87Å; V420-V430 WeakPolarHBondContact O-CG2 3.33Å; V420-V430 PolarHBondContact O-N 2.92Å
421M98.6Very high97.9Very high3 Ų349.2 Ų49.22%0.01524%0.237CC..  trans-107.7122.6164.9179.7179.2-76.100106.3I357 Y358 Q361 E362 E425 Y428I357-M421 HydrophobicContact CD1-CE 4.14Å; I357-M421 HydrophobicContact CG1-CE 4Å; I357-M421 HydrophobicContact CG2-CE 4.36Å; Y358-M421 HydrophobicContact CD1-CE 3.94Å; Y358-M421 HydrophobicContact CD1-SD 3.39Å; Y358-M421 WeakPolarHBondContact CD1-SD 3.15Å; Y358-M421 HydrophobicContact CE1-CE 3.99Å; Y358-M421 HydrophobicContact CE1-SD 3.73Å; Y358-M421 HydrophobicContact CG-SD 4.4Å; Q361-M421 HydrophobicContact CB-CB 3.77Å; Q361-M421 PolarHBondContact O-N 3.31Å; E362-M421 HydrophobicContact CB-CB 4.12Å; E362-M421 HydrophobicContact CB-CG 4.32Å; E362-M421 HydrophobicContact CB-SD 4.13Å; E362-M421 HydrophobicContact CG-CG 4.36Å; E362-M421 HydrophobicContact CG-SD 4.44Å; M421-E425 HydrophobicContact SD-CB 4.26Å; M421-E425 HydrophobicContact SD-CG 4.04Å; M421-Y428 HydrophobicContact CE-CG 4.46Å
422P98.2Very high98Very high0 Ų042.1 Ų42.10%020%0.199CC..  trans-77.7170.8173.840-36.5000109.8D424 Y427 V430 S433 D496P422-D424 HydrophobicContact CG-CB 4.23Å; P422-D424 WeakPolarHBondContact CG-O 3.22Å; P422-D424 CarbonylContact O-C 3.54Å; P422-D424 PolarHBondContact O-N 3.38Å; P422-D424 VanDerWaalsContact O-N 3.08Å; P422-Y427 VanDerWaalsContact CD-O 3.25Å; P422-Y427 WeakPolarHBondContact CD-O 3.44Å; P422-V430 HydrophobicContact CG-CG2 4.38Å; P422-S433 VanDerWaalsContact CB-OG 3.22Å; P422-S433 WeakPolarHBondContact CB-OG 3.45Å; P422-D496 VanDerWaalsContact CB-OD2 3.3Å; P422-D496 WeakPolarHBondContact CB-OD2 3.47Å
423P98.1Very high98.1Very high0 Ų039.1 Ų39.10%018%0.183CC..SBendtrans-48-32.4168.3-28.429.7000113.8W295 E425 Y435 Q494 D496 M499W295-P423 HydrophobicContact CH2-CB 4.09Å; W295-P423 HydrophobicContact CH2-CG 4.39Å; W295-P423 HydrophobicContact CZ2-CB 4.49Å; P423-E425 VanDerWaalsContact C-N 3.34Å; P423-E425 PolarHBondContact O-N 3.04Å; P423-Y435 HydrophobicContact CG-CD1 3.25Å; P423-Y435 HydrophobicContact CG-CD2 4.41Å; P423-Y435 HydrophobicContact CG-CE1 3.73Å; P423-Y435 HydrophobicContact CG-CG 3.65Å; P423-Q494 VanDerWaalsContact O-CG 3.22Å; P423-Q494 WeakPolarHBondContact O-CG 3.37Å; P423-Q494 PolarHBondContact O-NE2 2.84Å; P423-D496 HydrophobicContact CB-CB 4.27Å; P423-D496 WeakPolarHBondContact CB-OD2 3.45Å; P423-D496 WeakPolarHBondContact CD-OD2 3.27Å; P423-M499 HydrophobicContact CB-CE 4.09Å; P423-M499 HydrophobicContact CG-CE 3.91Å
424D97.7Very high98.2Very high0 Ų034 Ų340%016%0.159CC..  trans-71.486.7165.8-173.910.3000112.9P422 Y426 Y427 E482 V492 K493 D496P422-D424 HydrophobicContact CG-CB 4.23Å; P422-D424 WeakPolarHBondContact CG-O 3.22Å; P422-D424 CarbonylContact O-C 3.54Å; P422-D424 PolarHBondContact O-N 3.38Å; P422-D424 VanDerWaalsContact O-N 3.08Å; D424-Y426 PolarHBondContact O-N 3.48Å; D424-Y426 WeakPolarHBondContact OD1-CB 3.33Å; D424-Y426 PolarHBondContact OD1-N 3.47Å; D424-Y427 HydrophobicContact CB-CD2 4.44Å; D424-Y427 PolarHBondContact O-N 3.26Å; D424-Y427 VanDerWaalsContact O-N 3.07Å; D424-Y427 WeakPolarHBondContact OD2-CD2 3.47Å; D424-Y427 WeakPolarHBondContact OD2-CE2 3.49Å; D424-E482 VanDerWaalsContact CB-OE1 3.24Å; D424-E482 WeakPolarHBondContact CB-OE1 3.47Å; D424-V492 HydrophobicContact CB-CG1 4.19Å; D424-V492 VanDerWaalsContact OD2-CA 3.25Å; D424-V492 WeakPolarHBondContact OD2-CA 3.18Å; D424-K493 WeakPolarHBondContact OD1-CB 3.5Å; D424-K493 PolarHBondContact OD1-N 2.82Å; D424-D496 HydrophobicContact CB-CB 4.34Å; D424-D496 PolarHBondContact N-OD2 3.25Å; D424-D496 VanDerWaalsContact N-OD2 3.07Å
425E96.8Very high98.2Very high32 Ų3230.6 Ų30.615%0.1514%0.144CC..THydrogen-bonded Turntrans-66-0.7-178.9-60.7165.9-124.400114.9Y358 M421 P423 Y427 K493 Q494Y358-E425 HydrophobicContact CE1-CB 4.31Å; Y358-E425 HydrophobicContact CE1-CG 4.15Å; Y358-E425 WeakPolarHBondContact CE1-OE2 3.22Å; M421-E425 HydrophobicContact SD-CB 4.26Å; M421-E425 HydrophobicContact SD-CG 4.04Å; P423-E425 VanDerWaalsContact C-N 3.34Å; P423-E425 PolarHBondContact O-N 3.04Å; E425-Y427 PolarHBondContact O-N 3.24Å; E425-K493 HydrophobicContact CB-CD 3.79Å; E425-K493 HydrophobicContact CG-CD 4.42Å; E425-K493 IonicContact OE1-NZ 2.83Å; E425-K493 PolarHBondContact OE1-NZ 3.38Å; E425-K493 IonicContact OE2-NZ 3.78Å; E425-K493 PolarHBondContact OE2-NZ 3.12Å; E425-Q494 PolarHBondContact OE1-NE2 2.84Å; E425-Q494 VanDerWaalsContact OE1-NE2 3.12Å
426Y97.3Very high98.2Very high104 Ų10428.9 Ų28.941%0.40814%0.137SC..THydrogen-bonded Turntrans-68.8-20.1167.5-72.3-12.6000112.9D424 K493 D525D424-Y426 PolarHBondContact O-N 3.48Å; D424-Y426 WeakPolarHBondContact OD1-CB 3.33Å; D424-Y426 PolarHBondContact OD1-N 3.47Å; Y426-K493 HydrophobicContact CD1-CB 3.82Å; Y426-K493 HydrophobicContact CD1-CD 4.33Å; Y426-K493 HydrophobicContact CD1-CG 4.16Å; Y426-K493 HydrophobicContact CD2-CB 3.88Å; Y426-K493 HydrophobicContact CE1-CB 3.85Å; Y426-K493 HydrophobicContact CE1-CD 4.27Å; Y426-K493 HydrophobicContact CE1-CG 3.84Å; Y426-K493 HydrophobicContact CE2-CB 3.92Å; Y426-K493 HydrophobicContact CG-CB 3.84Å; Y426-D525 PolarHBondContact OH-OD2 3.13Å
427Y97.6Very high98.2Very high35 Ų3528 Ų2814%0.13713%0.133CC..  trans-115.1140.9177.2-54.7-72.4000110.5P422 D424 E425 Y483 Q490 P491P422-Y427 VanDerWaalsContact CD-O 3.25Å; P422-Y427 WeakPolarHBondContact CD-O 3.44Å; D424-Y427 HydrophobicContact CB-CD2 4.44Å; D424-Y427 PolarHBondContact O-N 3.26Å; D424-Y427 VanDerWaalsContact O-N 3.07Å; D424-Y427 WeakPolarHBondContact OD2-CD2 3.47Å; D424-Y427 WeakPolarHBondContact OD2-CE2 3.49Å; E425-Y427 PolarHBondContact O-N 3.24Å; Y427-Y483 HydrophobicContact CD1-CE1 4.12Å; Y427-Y483 AromaticContact CD1-CZ 3.88Å; Y427-Y483 WeakPolarHBondContact CD1-OH 3.31Å; Y427-Y483 AromaticContact CD2-CE1 3.63Å; Y427-Y483 HydrophobicContact CD2-CE1 3.63Å; Y427-Y483 VanDerWaalsContact CE1-OH 3.26Å; Y427-Y483 WeakPolarHBondContact CE1-OH 3.12Å; Y427-Y483 HydrophobicContact CE2-CE1 4.28Å; Y427-Y483 AromaticContact CG-CE1 3.56Å; Y427-Y483 HydrophobicContact CG-CE1 3.56Å; Y427-Y483 AromaticContact CG-CZ 3.81Å; Y427-Q490 WeakPolarHBondContact OH-CB 3.36Å; Y427-P491 VanDerWaalsContact CE2-O 3.3Å; Y427-P491 WeakPolarHBondContact CE2-O 3.15Å; Y427-P491 WeakPolarHBondContact OH-CD 3.45Å; Y427-P491 PolarHBondContact OH-O 3.28Å
428Y97.4Very high98.2Very high140 Ų14028 Ų2855%0.54913%0.133SC..  trans-147.2163.4176.560.1-93.1000109.5I357 M421 V430I357-Y428 HydrophobicContact CD1-CD1 4.42Å; I357-Y428 HydrophobicContact CD1-CD2 3.75Å; I357-Y428 HydrophobicContact CD1-CE2 4.26Å; I357-Y428 HydrophobicContact CD1-CG 3.84Å; M421-Y428 HydrophobicContact CE-CG 4.46Å; Y428-V430 PolarHBondContact O-N 2.8Å
429N97.9Very high98.2Very high107 Ų10724.8 Ų24.857%0.57212%0.116SC*.SBendtrans53.332.9-173.9-170.154.1000112.4V420V420-N429 PolarHBondContact O-N 3.45Å; V420-N429 VanDerWaalsContact O-N 3.11Å
430V98.4Very high98.3Very high17 Ų1724.1 Ų24.110%0.10311%0.109CC..BIsolated β-bridgetrans-88.2163.3175.3-60.10000110.3G419 V420 P422 Y428 Y483G419-V430 WeakPolarHBondContact CA-O 3.3Å; G419-V430 PolarHBondContact N-O 3.43Å; V420-V430 HydrophobicContact CG2-CG2 4.23Å; V420-V430 PolarHBondContact N-O 2.87Å; V420-V430 WeakPolarHBondContact O-CG2 3.33Å; V420-V430 PolarHBondContact O-N 2.92Å; P422-V430 HydrophobicContact CG-CG2 4.38Å; Y428-V430 PolarHBondContact O-N 2.8Å; V430-Y483 HydrophobicContact CB-CD1 4.35Å; V430-Y483 HydrophobicContact CB-CD2 3.89Å; V430-Y483 HydrophobicContact CB-CE2 4.48Å; V430-Y483 HydrophobicContact CB-CG 3.83Å; V430-Y483 HydrophobicContact CG1-CD1 4.19Å; V430-Y483 HydrophobicContact CG1-CD2 3.84Å; V430-Y483 HydrophobicContact CG1-CE1 4.25Å; V430-Y483 HydrophobicContact CG1-CE2 3.92Å; V430-Y483 HydrophobicContact CG1-CG 3.99Å; V430-Y483 HydrophobicContact CG2-CD1 4.19Å; V430-Y483 HydrophobicContact CG2-CG 3.97Å
431N98.6Very high98.3Very high64 Ų6426.6 Ų26.634%0.34212%0.12SC..SBendtrans-109.5143.9177-60.9-34.7000109.9L418 G419 S433 Y483 D484L418-N431 WeakPolarHBondContact CA-OD1 3.26Å; L418-N431 WeakPolarHBondContact CB-OD1 3.2Å; L418-N431 HydrophobicContact CD2-CB 3.89Å; G419-N431 PolarHBondContact N-OD1 2.8Å; N431-S433 PolarHBondContact O-N 2.85Å; N431-Y483 WeakPolarHBondContact O-CB 3.17Å; N431-D484 HydrophobicContact CB-CB 4.2Å; N431-D484 WeakPolarHBondContact O-CB 3.38Å; N431-D484 PolarHBondContact O-N 3.14Å
432N98.6Very high98.3Very high1 Ų127.9 Ų27.91%0.00513%0.127CC..  trans48.756.6178-53.6-35.2000113.2H416 L417 V434 N437 P472 Y483 D484H416-N432 VanDerWaalsContact CA-OD1 3.31Å; H416-N432 WeakPolarHBondContact CA-OD1 3.35Å; H416-N432 WeakPolarHBondContact CB-OD1 3.18Å; H416-N432 PolarHBondContact ND1-ND2 3.44Å; H416-N432 PolarHBondContact ND1-OD1 2.82Å; L417-N432 PolarHBondContact N-OD1 3.37Å; L417-N432 VanDerWaalsContact N-OD1 3.09Å; L417-N432 PolarHBondContact O-N 2.92Å; L417-N432 PolarHBondContact O-OD1 2.88Å; N432-V434 PolarHBondContact O-N 3.01Å; N432-V434 VanDerWaalsContact O-N 3.14Å; N432-N437 PolarHBondContact OD1-ND2 3.35Å; N432-P472 HydrophobicContact CB-CG 4.07Å; N432-P472 WeakPolarHBondContact O-CG 3.32Å; N432-Y483 WeakPolarHBondContact O-CA 3.1Å; N432-D484 WeakPolarHBondContact CB-OD1 3.39Å; N432-D484 PolarHBondContact ND2-OD1 2.77Å; N432-D484 PolarHBondContact ND2-OD2 3.32Å
433S98.7Very high98.4Very high0 Ų028 Ų280%013%0.128CC..  trans-51.2123.3164.6158.60000109.1P422 N431 Y435 T436 N437 E482P422-S433 VanDerWaalsContact CB-OG 3.22Å; P422-S433 WeakPolarHBondContact CB-OG 3.45Å; N431-S433 PolarHBondContact O-N 2.85Å; S433-Y435 VanDerWaalsContact C-N 3.28Å; S433-Y435 PolarHBondContact O-N 3.31Å; S433-T436 WeakPolarHBondContact CB-OG1 3.3Å; S433-T436 PolarHBondContact O-N 2.75Å; S433-T436 WeakPolarHBondContact OG-CB 3.49Å; S433-T436 PolarHBondContact OG-N 3.25Å; S433-T436 VanDerWaalsContact OG-N 3.15Å; S433-T436 PolarHBondContact OG-OG1 3.37Å; S433-N437 WeakPolarHBondContact O-CB 3.39Å; S433-N437 PolarHBondContact O-N 2.8Å; S433-N437 PolarHBondContact O-OD1 3.49Å; S433-N437 VanDerWaalsContact O-OD1 3.12Å; S433-E482 CarbonylContact C-O 3.56Å; S433-E482 WeakPolarHBondContact CA-O 3.33Å
434V98.8Very high98.4Very high0 Ų028 Ų280%013%0.128CC..Hα-helixtrans-62.7-38.9-175.270.80000111.1N432 T438 I471 P472 H480 E482 T497 L500N432-V434 PolarHBondContact O-N 3.01Å; N432-V434 VanDerWaalsContact O-N 3.14Å; V434-T438 VanDerWaalsContact O-CB 3.24Å; V434-T438 WeakPolarHBondContact O-CB 3.48Å; V434-T438 PolarHBondContact O-N 2.77Å; V434-T438 PolarHBondContact O-OG1 3.36Å; V434-I471 HydrophobicContact CG2-CG2 3.89Å; V434-P472 HydrophobicContact CB-CB 4.41Å; V434-P472 HydrophobicContact CB-CG 4.1Å; V434-P472 HydrophobicContact CG2-CG 4.47Å; V434-H480 HydrophobicContact CG2-CB 4.17Å; V434-E482 PolarHBondContact N-O 3.33Å; V434-T497 HydrophobicContact CG1-CG2 4.07Å; V434-T497 VanDerWaalsContact CG1-OG1 3.25Å; V434-T497 WeakPolarHBondContact CG1-OG1 3.31Å; V434-L500 HydrophobicContact CG1-CD1 4.26Å; V434-L500 HydrophobicContact CG2-CD1 3.73Å; V434-L500 HydrophobicContact CG2-CD2 4.25Å
435Y98.8Very high98.4Very high0 Ų032 Ų320%015%0.147CC..Hα-helixtrans-63.8-54.3173.4-174.8-95000111.2W295 H364 D368 P423 S433 N437 T438 V439 D496 M499 L504W295-Y435 HydrophobicContact CZ3-CE1 4.44Å; H364-Y435 HydrophobicContact CB-CD1 3.94Å; H364-Y435 HydrophobicContact CB-CE1 3.94Å; H364-Y435 AromaticContact CG-CE1 3.9Å; H364-Y435 AromaticContact ND1-CE1 3.74Å; D368-Y435 PolarHBondContact OD1-OH 3.47Å; P423-Y435 HydrophobicContact CG-CD1 3.25Å; P423-Y435 HydrophobicContact CG-CD2 4.41Å; P423-Y435 HydrophobicContact CG-CE1 3.73Å; P423-Y435 HydrophobicContact CG-CG 3.65Å; S433-Y435 VanDerWaalsContact C-N 3.28Å; S433-Y435 PolarHBondContact O-N 3.31Å; Y435-N437 VanDerWaalsContact C-N 3.34Å; Y435-N437 PolarHBondContact O-N 3.09Å; Y435-T438 PolarHBondContact O-N 3.45Å; Y435-T438 VanDerWaalsContact O-N 3.09Å; Y435-V439 HydrophobicContact CD1-CG1 4.14Å; Y435-V439 HydrophobicContact CE1-CG1 3.67Å; Y435-V439 HydrophobicContact CE1-CG2 4.44Å; Y435-V439 HydrophobicContact CE2-CG1 4.12Å; Y435-V439 PolarHBondContact O-N 3.07Å; Y435-D496 WeakPolarHBondContact CB-OD1 3.47Å; Y435-M499 HydrophobicContact CD2-CB 3.91Å; Y435-M499 HydrophobicContact CD2-CE 3.63Å; Y435-M499 HydrophobicContact CE1-CE 4.2Å; Y435-M499 HydrophobicContact CE2-CB 3.61Å; Y435-M499 HydrophobicContact CE2-CE 3.25Å; Y435-M499 HydrophobicContact CE2-CG 4.39Å; Y435-M499 HydrophobicContact CE2-SD 4.01Å; Y435-M499 HydrophobicContact CG-CE 4.24Å; Y435-L504 HydrophobicContact CD2-CD1 3.78Å; Y435-L504 HydrophobicContact CE2-CD1 3.6Å; Y435-L504 HydrophobicContact CE2-CD2 4.16Å; Y435-L504 HydrophobicContact CE2-CG 3.94Å
436T98.9Very high98.5Very high0 Ų030.6 Ų30.60%014%0.14CC..Hα-helixtrans-58.8-45-176.6-55.20000111.8I363 H364 W402 L417 S433 T438 V439 A440I363-T436 HydrophobicContact CD1-CG2 4.47Å; I363-T436 HydrophobicContact CG1-CG2 3.91Å; H364-T436 HydrophobicContact CB-CG2 4.2Å; W402-T436 HydrophobicContact CH2-CG2 4.08Å; W402-T436 HydrophobicContact CZ3-CG2 4.34Å; L417-T436 HydrophobicContact CD1-CG2 4.02Å; S433-T436 WeakPolarHBondContact CB-OG1 3.3Å; S433-T436 PolarHBondContact O-N 2.75Å; S433-T436 WeakPolarHBondContact OG-CB 3.49Å; S433-T436 PolarHBondContact OG-N 3.25Å; S433-T436 VanDerWaalsContact OG-N 3.15Å; S433-T436 PolarHBondContact OG-OG1 3.37Å; T436-T438 VanDerWaalsContact C-N 3.34Å; T436-V439 WeakPolarHBondContact O-CG2 3.29Å; T436-V439 PolarHBondContact O-N 3.14Å; T436-A440 WeakPolarHBondContact O-CB 3.38Å; T436-A440 PolarHBondContact O-N 3.09Å
437N98.9Very high98.6Very high0 Ų025.6 Ų25.60%012%0.12CC..Hα-helixtrans-67.9-36178.9-70.532.5000111.5L417 N432 S433 Y435 K441 I469 E470 I471L417-N437 WeakPolarHBondContact CB-OD1 3.1Å; L417-N437 WeakPolarHBondContact CD1-OD1 3.49Å; N432-N437 PolarHBondContact OD1-ND2 3.35Å; S433-N437 WeakPolarHBondContact O-CB 3.39Å; S433-N437 PolarHBondContact O-N 2.8Å; S433-N437 PolarHBondContact O-OD1 3.49Å; S433-N437 VanDerWaalsContact O-OD1 3.12Å; Y435-N437 VanDerWaalsContact C-N 3.34Å; Y435-N437 PolarHBondContact O-N 3.09Å; N437-K441 WeakPolarHBondContact O-CB 3.46Å; N437-K441 PolarHBondContact O-N 3.45Å; N437-I469 HydrophobicContact CB-CD1 4.22Å; N437-I469 HydrophobicContact CB-CG1 4.33Å; N437-E470 VanDerWaalsContact CB-O 3.24Å; N437-E470 WeakPolarHBondContact CB-O 3.35Å; N437-E470 PolarHBondContact ND2-O 3.33Å; N437-I471 HydrophobicContact CB-CD1 3.84Å
438T98.9Very high98.7Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-67.3-46.2176.4-59.20000111.3V434 Y435 T436 A440 K441 L442 L500 L504 L506V434-T438 VanDerWaalsContact O-CB 3.24Å; V434-T438 WeakPolarHBondContact O-CB 3.48Å; V434-T438 PolarHBondContact O-N 2.77Å; V434-T438 PolarHBondContact O-OG1 3.36Å; Y435-T438 PolarHBondContact O-N 3.45Å; Y435-T438 VanDerWaalsContact O-N 3.09Å; T436-T438 VanDerWaalsContact C-N 3.34Å; T438-A440 VanDerWaalsContact C-N 3.32Å; T438-A440 PolarHBondContact O-N 3.42Å; T438-K441 WeakPolarHBondContact O-CB 3.36Å; T438-K441 PolarHBondContact O-N 3.41Å; T438-L442 HydrophobicContact CG2-CD1 4.14Å; T438-L442 HydrophobicContact CG2-CG 4.45Å; T438-L442 WeakPolarHBondContact O-CG 3.13Å; T438-L442 PolarHBondContact O-N 2.8Å; T438-L500 HydrophobicContact CG2-CD2 3.91Å; T438-L500 VanDerWaalsContact OG1-CD2 3.29Å; T438-L500 WeakPolarHBondContact OG1-CD2 3.38Å; T438-L504 HydrophobicContact CG2-CD1 3.71Å; T438-L506 HydrophobicContact CG2-CB 4.47Å; T438-L506 HydrophobicContact CG2-CD1 4.28Å; T438-L506 HydrophobicContact CG2-CD2 4.39Å
439V98.8Very high98.7Very high3 Ų319.7 Ų19.72%0.01810%0.101CC..Hα-helixtrans-65.2-37.8177.6-59.50000111.5H364 Y435 T436 K441 L442 S443 L504H364-V439 HydrophobicContact CB-CG2 3.98Å; Y435-V439 HydrophobicContact CD1-CG1 4.14Å; Y435-V439 HydrophobicContact CE1-CG1 3.67Å; Y435-V439 HydrophobicContact CE1-CG2 4.44Å; Y435-V439 HydrophobicContact CE2-CG1 4.12Å; Y435-V439 PolarHBondContact O-N 3.07Å; T436-V439 WeakPolarHBondContact O-CG2 3.29Å; T436-V439 PolarHBondContact O-N 3.14Å; V439-K441 PolarHBondContact O-N 2.94Å; V439-L442 PolarHBondContact O-N 3.48Å; V439-S443 PolarHBondContact O-N 2.79Å; V439-S443 PolarHBondContact O-OG 2.71Å; V439-L504 HydrophobicContact CG1-CD1 3.59Å; V439-L504 HydrophobicContact CG1-CD2 3.6Å; V439-L504 HydrophobicContact CG1-CG 4.25Å
440A98.9Very high98.7Very high0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-60.8-44.1174.200000112.2W402 L417 T436 T438 S443 L444 I469W402-A440 HydrophobicContact CD2-CB 3.5Å; W402-A440 HydrophobicContact CE3-CB 3.64Å; W402-A440 HydrophobicContact CG-CB 4.02Å; W402-A440 HydrophobicContact CH2-CB 4.05Å; W402-A440 HydrophobicContact CZ2-CB 3.91Å; W402-A440 HydrophobicContact CZ3-CB 3.91Å; L417-A440 HydrophobicContact CD1-CB 4.08Å; T436-A440 WeakPolarHBondContact O-CB 3.38Å; T436-A440 PolarHBondContact O-N 3.09Å; T438-A440 VanDerWaalsContact C-N 3.32Å; T438-A440 PolarHBondContact O-N 3.42Å; A440-S443 PolarHBondContact O-N 2.98Å; A440-L444 VanDerWaalsContact O-CG 3.3Å; A440-L444 WeakPolarHBondContact O-CG 3.4Å; A440-L444 PolarHBondContact O-N 2.83Å; A440-L444 VanDerWaalsContact O-N 3.13Å; A440-I469 HydrophobicContact CB-CD1 3.95Å
441K98.8Very high98.7Very high53 Ų5313.8 Ų13.823%0.237%0.069CC..Hα-helixtrans-57.2-50.3173.5176.1172.9178.7174.80111.6N437 T438 V439 L444 Q445 A466 I469 I471N437-K441 WeakPolarHBondContact O-CB 3.46Å; N437-K441 PolarHBondContact O-N 3.45Å; T438-K441 WeakPolarHBondContact O-CB 3.36Å; T438-K441 PolarHBondContact O-N 3.41Å; V439-K441 PolarHBondContact O-N 2.94Å; K441-L444 PolarHBondContact O-N 3.04Å; K441-Q445 WeakPolarHBondContact O-CG 3.35Å; K441-Q445 PolarHBondContact O-N 2.67Å; K441-A466 WeakPolarHBondContact CG-O 3.43Å; K441-I469 HydrophobicContact CB-CG2 3.77Å; K441-I469 HydrophobicContact CD-CG2 4.31Å; K441-I469 HydrophobicContact CG-CG2 4.26Å; K441-I471 HydrophobicContact CD-CD1 4.46Å
442L98.8Very high98.6Very high30 Ų3016.2 Ų16.216%0.1578%0.081CC..Hα-helixtrans-65.2-38.8-178.4-66.6175.9000111.7T438 V439 L444 Q445 F446 L504T438-L442 HydrophobicContact CG2-CD1 4.14Å; T438-L442 HydrophobicContact CG2-CG 4.45Å; T438-L442 WeakPolarHBondContact O-CG 3.13Å; T438-L442 PolarHBondContact O-N 2.8Å; V439-L442 PolarHBondContact O-N 3.48Å; L442-L444 PolarHBondContact O-N 2.84Å; L442-Q445 PolarHBondContact O-N 3.04Å; L442-F446 WeakPolarHBondContact O-CB 3.27Å; L442-F446 PolarHBondContact O-N 2.96Å; L442-L504 HydrophobicContact CD1-CB 3.93Å; L442-L504 HydrophobicContact CD1-CD2 4.36Å; L442-L504 WeakPolarHBondContact CD1-O 3.47Å
443S98.9Very high98.5Very high1 Ų120.3 Ų20.31%0.00710%0.099CC..Hα-helixtrans-57.6-46.7173.6-58.50000112.2G367 T370 W402 V439 A440 F446 A447G367-S443 VanDerWaalsContact CA-OG 3.3Å; G367-S443 WeakPolarHBondContact CA-OG 3.45Å; T370-S443 WeakPolarHBondContact OG1-CB 3.28Å; T370-S443 PolarHBondContact OG1-OG 2.83Å; W402-S443 PolarHBondContact NE1-OG 2.92Å; V439-S443 PolarHBondContact O-N 2.79Å; V439-S443 PolarHBondContact O-OG 2.71Å; A440-S443 PolarHBondContact O-N 2.98Å; S443-F446 PolarHBondContact O-N 2.57Å; S443-A447 WeakPolarHBondContact O-CB 3.43Å; S443-A447 PolarHBondContact O-N 3.47Å
444L98.9Very high98.4Very high0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-67.7-41.3-178.8-69.2167.6000111.6A399 W402 V403 A440 K441 L442 F446 A447 V448 W462 V465 A466A399-L444 HydrophobicContact CB-CD2 3.88Å; W402-L444 HydrophobicContact CB-CD1 4.27Å; W402-L444 HydrophobicContact CB-CD2 4.12Å; W402-L444 HydrophobicContact CB-CG 4.25Å; V403-L444 HydrophobicContact CG2-CD2 3.98Å; A440-L444 VanDerWaalsContact O-CG 3.3Å; A440-L444 WeakPolarHBondContact O-CG 3.4Å; A440-L444 PolarHBondContact O-N 2.83Å; A440-L444 VanDerWaalsContact O-N 3.13Å; K441-L444 PolarHBondContact O-N 3.04Å; L442-L444 PolarHBondContact O-N 2.84Å; L444-F446 VanDerWaalsContact C-N 3.34Å; L444-A447 PolarHBondContact O-N 3.08Å; L444-V448 WeakPolarHBondContact O-CG2 3.46Å; L444-V448 PolarHBondContact O-N 3.21Å; L444-V448 VanDerWaalsContact O-N 3.12Å; L444-W462 HydrophobicContact CD2-CB 4.17Å; L444-W462 HydrophobicContact CD2-CG 4.35Å; L444-V465 HydrophobicContact CD1-CB 3.85Å; L444-V465 HydrophobicContact CD1-CG1 3.52Å; L444-A466 HydrophobicContact CB-CB 3.73Å; L444-A466 HydrophobicContact CD1-CB 4.33Å
445Q98.8Very high98.2Very high86 Ų8631.5 Ų31.540%0.40215%0.153SC..Hα-helixtrans-60.9-45173.9-71.2178.5-21.800111.4K441 L442 A447 V448 E449 A466K441-Q445 WeakPolarHBondContact O-CG 3.35Å; K441-Q445 PolarHBondContact O-N 2.67Å; L442-Q445 PolarHBondContact O-N 3.04Å; Q445-A447 VanDerWaalsContact C-N 3.33Å; Q445-A447 PolarHBondContact O-N 3.29Å; Q445-V448 PolarHBondContact O-N 2.86Å; Q445-E449 WeakPolarHBondContact O-CB 3.33Å; Q445-E449 PolarHBondContact O-N 3.39Å; Q445-A466 HydrophobicContact CG-CB 3.97Å
446F98.8Very high98Very high1 Ų136.6 Ų36.60%0.00418%0.176CC..Hα-helixtrans-65.6-35.8177.3-178.9-125.8000112.3F373 Q374 L377 F386 I395 L442 S443 L444 E449 L450F373-F446 HydrophobicContact CB-CE1 4.14Å; Q374-F446 VanDerWaalsContact CA-CZ 3.47Å; Q374-F446 HydrophobicContact CB-CD1 3.91Å; Q374-F446 HydrophobicContact CB-CD2 3.86Å; Q374-F446 HydrophobicContact CB-CE1 3.88Å; Q374-F446 HydrophobicContact CB-CE2 3.86Å; Q374-F446 HydrophobicContact CB-CG 3.9Å; Q374-F446 HydrophobicContact CB-CZ 3.88Å; Q374-F446 HydrophobicContact CG-CD2 3.65Å; Q374-F446 HydrophobicContact CG-CE2 3.83Å; Q374-F446 HydrophobicContact CG-CG 4.06Å; Q374-F446 HydrophobicContact CG-CZ 4.37Å; L377-F446 HydrophobicContact CD2-CE2 3.85Å; L377-F446 HydrophobicContact CD2-CZ 4.15Å; F386-F446 HydrophobicContact CE1-CE1 4.26Å; F386-F446 HydrophobicContact CE1-CZ 4.03Å; F386-F446 HydrophobicContact CZ-CZ 4.01Å; I395-F446 HydrophobicContact CD1-CD1 4.01Å; I395-F446 HydrophobicContact CD1-CE1 3.71Å; I395-F446 HydrophobicContact CG1-CD1 4.29Å; I395-F446 HydrophobicContact CG1-CE1 3.81Å; I395-F446 HydrophobicContact CG2-CD1 3.9Å; I395-F446 HydrophobicContact CG2-CE1 4.15Å; L442-F446 WeakPolarHBondContact O-CB 3.27Å; L442-F446 PolarHBondContact O-N 2.96Å; S443-F446 PolarHBondContact O-N 2.57Å; L444-F446 VanDerWaalsContact C-N 3.34Å; F446-E449 PolarHBondContact O-N 3.08Å; F446-L450 VanDerWaalsContact O-CB 3.28Å; F446-L450 WeakPolarHBondContact O-CB 3.37Å; F446-L450 PolarHBondContact O-N 2.93Å
447A98.9Very high97.8Very high0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-63.8-41.7175.900000112.4I395 F396 A399 S443 L444 Q445 A451 W462I395-A447 HydrophobicContact CG2-CB 3.81Å; F396-A447 HydrophobicContact CD1-CB 4.37Å; A399-A447 HydrophobicContact CB-CB 3.6Å; S443-A447 WeakPolarHBondContact O-CB 3.43Å; S443-A447 PolarHBondContact O-N 3.47Å; L444-A447 PolarHBondContact O-N 3.08Å; Q445-A447 VanDerWaalsContact C-N 3.33Å; Q445-A447 PolarHBondContact O-N 3.29Å; A447-A451 WeakPolarHBondContact O-CB 3.37Å; A447-A451 PolarHBondContact O-N 2.75Å; A447-W462 HydrophobicContact CB-CD2 4.34Å; A447-W462 HydrophobicContact CB-CE3 3.76Å; A447-W462 HydrophobicContact CB-CZ3 3.98Å
448V98.7Very high97.6Very high26 Ų2642.7 Ų42.716%0.15822%0.22CC..Hα-helixtrans-62.7-47.2173.31750000110.5L444 Q445 L450 A451 D452 A458 W462 Q463L444-V448 WeakPolarHBondContact O-CG2 3.46Å; L444-V448 PolarHBondContact O-N 3.21Å; L444-V448 VanDerWaalsContact O-N 3.12Å; Q445-V448 PolarHBondContact O-N 2.86Å; V448-L450 PolarHBondContact O-N 3.29Å; V448-A451 WeakPolarHBondContact O-CB 3.29Å; V448-A451 PolarHBondContact O-N 3.02Å; V448-D452 PolarHBondContact O-N 3.25Å; V448-D452 VanDerWaalsContact O-N 3.09Å; V448-A458 HydrophobicContact CB-CB 4.42Å; V448-A458 HydrophobicContact CG1-CB 4.29Å; V448-A458 HydrophobicContact CG2-CB 4.17Å; V448-W462 HydrophobicContact CG2-CB 3.96Å; V448-W462 HydrophobicContact CG2-CE3 4.42Å; V448-Q463 HydrophobicContact CG2-CB 4.25Å
449E98.2Very high97.6Very high25 Ų2544.7 Ų44.712%0.11723%0.234CC..Hα-helixtrans-61-44.7178.5178.8-179.1-16500112.6Y378 Q445 F446 A451 D452 F453 K601Y378-E449 PolarHBondContact OH-OE1 2.96Å; Y378-E449 PolarHBondContact OH-OE2 3.41Å; Q445-E449 WeakPolarHBondContact O-CB 3.33Å; Q445-E449 PolarHBondContact O-N 3.39Å; F446-E449 PolarHBondContact O-N 3.08Å; E449-A451 VanDerWaalsContact C-N 3.33Å; E449-D452 WeakPolarHBondContact O-CB 3.37Å; E449-D452 PolarHBondContact O-N 2.93Å; E449-F453 HydrophobicContact CG-CD2 3.86Å; E449-F453 HydrophobicContact CG-CE2 3.58Å; E449-F453 VanDerWaalsContact O-CD2 3.29Å; E449-F453 WeakPolarHBondContact O-CD2 3.18Å; E449-F453 PolarHBondContact O-N 3.3Å; E449-F453 WeakPolarHBondContact OE1-CE2 3.35Å; E449-K601 WeakPolarHBondContact OE1-CD 3.5Å; E449-K601 WeakPolarHBondContact OE1-CE 3.38Å; E449-K601 WeakPolarHBondContact OE1-CG 3.49Å; E449-K601 IonicContact OE1-NZ 3.04Å; E449-K601 PolarHBondContact OE1-NZ 2.85Å
450L98.4Very high97.5Very high0 Ų052.9 Ų52.90%027%0.269CS..Hα-helixtrans-65-39.2178.1179.465.1000111.1L377 F386 I395 F396 F446 V448 D452 F453 L454L377-L450 HydrophobicContact CD2-CD1 4.36Å; F386-L450 HydrophobicContact CB-CD1 4.15Å; F386-L450 HydrophobicContact CD1-CD1 3.71Å; F386-L450 HydrophobicContact CD1-CD2 3.44Å; F386-L450 VanDerWaalsContact CD1-CD2 3.44Å; F386-L450 HydrophobicContact CD1-CG 4.23Å; F386-L450 HydrophobicContact CD2-CD1 4.18Å; F386-L450 HydrophobicContact CE1-CD1 4.11Å; F386-L450 HydrophobicContact CE1-CD2 3.85Å; F386-L450 HydrophobicContact CG-CD1 3.73Å; F386-L450 HydrophobicContact CG-CD2 4.21Å; I395-L450 HydrophobicContact CB-CD2 3.76Å; I395-L450 HydrophobicContact CG1-CD2 3.83Å; I395-L450 HydrophobicContact CG2-CD2 3.88Å; F396-L450 HydrophobicContact CE1-CB 4.38Å; F396-L450 HydrophobicContact CE1-CD2 4.14Å; F396-L450 HydrophobicContact CE1-CG 4.29Å; F396-L450 HydrophobicContact CZ-CD2 4.46Å; F396-L450 HydrophobicContact CZ-CG 4.44Å; F446-L450 VanDerWaalsContact O-CB 3.28Å; F446-L450 WeakPolarHBondContact O-CB 3.37Å; F446-L450 PolarHBondContact O-N 2.93Å; V448-L450 PolarHBondContact O-N 3.29Å; L450-D452 VanDerWaalsContact C-N 3.27Å; L450-D452 PolarHBondContact O-N 2.9Å; L450-F453 PolarHBondContact O-N 3.42Å; L450-L454 HydrophobicContact CD1-CD1 3.98Å; L450-L454 HydrophobicContact CD1-CG 4.05Å; L450-L454 HydrophobicContact CD2-CD1 4.42Å; L450-L454 HydrophobicContact CG-CD1 3.9Å; L450-L454 HydrophobicContact CG-CG 4.3Å; L450-L454 WeakPolarHBondContact O-CB 3.14Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.33Å; L450-L454 PolarHBondContact O-N 3.26Å
451A98.1Very high97.5Very high0 Ų057.8 Ų57.80%029%0.292CS..Hα-helixtrans-58.1-43.4174.200000110.9F396 A447 V448 E449 L454 Q455 H456 A458F396-A451 HydrophobicContact CE1-CB 4.13Å; F396-A451 HydrophobicContact CZ-CB 4.1Å; A447-A451 WeakPolarHBondContact O-CB 3.37Å; A447-A451 PolarHBondContact O-N 2.75Å; V448-A451 WeakPolarHBondContact O-CB 3.29Å; V448-A451 PolarHBondContact O-N 3.02Å; E449-A451 VanDerWaalsContact C-N 3.33Å; A451-L454 CarbonylContact O-C 3.19Å; A451-L454 PolarHBondContact O-N 2.83Å; A451-Q455 PolarHBondContact O-N 3.48Å; A451-H456 CarbonylContact C-O 3.52Å; A451-H456 HydrophobicContact CB-CB 4.25Å; A451-H456 PolarHBondContact O-N 3.34Å; A451-A458 HydrophobicContact CB-CB 3.93Å
452D96.8Very high97.5Very high114 Ų11455.6 Ų55.661%0.6128%0.282SS*.Hα-helixtrans-61.6-45.7174.7-71.5-21.1000112.2V448 E449 L450 L454 Q455V448-D452 PolarHBondContact O-N 3.25Å; V448-D452 VanDerWaalsContact O-N 3.09Å; E449-D452 WeakPolarHBondContact O-CB 3.37Å; E449-D452 PolarHBondContact O-N 2.93Å; L450-D452 VanDerWaalsContact C-N 3.27Å; L450-D452 PolarHBondContact O-N 2.9Å; D452-L454 PolarHBondContact O-N 3.42Å; D452-Q455 PolarHBondContact O-N 3.02Å; D452-Q455 VanDerWaalsContact O-N 3.1Å
453F95.3Very high97.5Very high87 Ų8759 Ų5938%0.38230%0.297SS..Hα-helixtrans-58.4-37.1175.7-81.7-61.5000112.8L377 L383 E449 L450 Q455L377-F453 HydrophobicContact CD2-CD2 3.95Å; L377-F453 HydrophobicContact CD2-CE2 3.99Å; L383-F453 HydrophobicContact CD2-CB 4.16Å; E449-F453 HydrophobicContact CG-CD2 3.86Å; E449-F453 HydrophobicContact CG-CE2 3.58Å; E449-F453 VanDerWaalsContact O-CD2 3.29Å; E449-F453 WeakPolarHBondContact O-CD2 3.18Å; E449-F453 PolarHBondContact O-N 3.3Å; E449-F453 WeakPolarHBondContact OE1-CE2 3.35Å; L450-F453 PolarHBondContact O-N 3.42Å; F453-Q455 VanDerWaalsContact C-N 3.33Å
454L96.6Very high97.5Very high45 Ų4562.3 Ų62.324%0.23631%0.313CS..THydrogen-bonded Turntrans-88.72.2-179.9-61.5-179.5000113.4L383 F386 T387 F396 L450 A451 D452 H456L383-L454 HydrophobicContact CD2-CD2 4.32Å; F386-L454 HydrophobicContact CB-CD1 4.31Å; T387-L454 HydrophobicContact CG2-CD2 3.67Å; F396-L454 HydrophobicContact CZ-CD1 4.28Å; L450-L454 HydrophobicContact CD1-CD1 3.98Å; L450-L454 HydrophobicContact CD1-CG 4.05Å; L450-L454 HydrophobicContact CD2-CD1 4.42Å; L450-L454 HydrophobicContact CG-CD1 3.9Å; L450-L454 HydrophobicContact CG-CG 4.3Å; L450-L454 WeakPolarHBondContact O-CB 3.14Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.33Å; L450-L454 PolarHBondContact O-N 3.26Å; A451-L454 CarbonylContact O-C 3.19Å; A451-L454 PolarHBondContact O-N 2.83Å; D452-L454 PolarHBondContact O-N 3.42Å; L454-H456 HydrophobicContact CB-CB 4.49Å; L454-H456 PolarHBondContact O-N 2.9Å
455Q95.6Very high97.5Very high190 Ų19062.4 Ų62.489%0.88831%0.313SS*.THydrogen-bonded Turntrans53.936.1-174-55.6176.521.500112.6A451 D452 F453A451-Q455 PolarHBondContact O-N 3.48Å; D452-Q455 PolarHBondContact O-N 3.02Å; D452-Q455 VanDerWaalsContact O-N 3.1Å; F453-Q455 VanDerWaalsContact C-N 3.33Å
456H93.8Very high97.4Very high107 Ų10758.4 Ų58.450%0.49530%0.295SS..  trans-100.1148.1175.6-165.873.8000110.2A451 L454 A458A451-H456 CarbonylContact C-O 3.52Å; A451-H456 HydrophobicContact CB-CB 4.25Å; A451-H456 PolarHBondContact O-N 3.34Å; L454-H456 HydrophobicContact CB-CB 4.49Å; L454-H456 PolarHBondContact O-N 2.9Å; H456-A458 PolarHBondContact O-N 2.91Å
457S94.9Very high97.4Very high103 Ų10364.1 Ų64.172%0.7232%0.322SS*.  trans-81.6113.5177.5-174.40000110
458A96.1Very high97.4Very high25 Ų2569.1 Ų69.121%0.20734%0.341CS..  trans-66.8133.5171.700000111.3V448 A451 H456 W462V448-A458 HydrophobicContact CB-CB 4.42Å; V448-A458 HydrophobicContact CG1-CB 4.29Å; V448-A458 HydrophobicContact CG2-CB 4.17Å; A451-A458 HydrophobicContact CB-CB 3.93Å; H456-A458 PolarHBondContact O-N 2.91Å; A458-W462 HydrophobicContact CB-CE3 4.03Å; A458-W462 HydrophobicContact CB-CZ3 4.26Å
459P97.9Very high97.4Very high43 Ų4368.3 Ų68.328%0.27934%0.336SS..  trans-53.1137.9162.8-28.136.3000111.8E461 W462P459-E461 PolarHBondContact O-N 2.87Å; P459-W462 HydrophobicContact CB-CD2 4.16Å; P459-W462 HydrophobicContact CB-CG 4.18Å; P459-W462 HydrophobicContact CG-CD2 4Å; P459-W462 HydrophobicContact CG-CE3 4.47Å; P459-W462 HydrophobicContact CG-CH2 4.12Å; P459-W462 HydrophobicContact CG-CZ2 3.65Å; P459-W462 PolarHBondContact O-N 2.95Å
460K97.7Very high97.4Very high174 Ų17468.9 Ų68.976%0.75734%0.338SS*.Hα-helixtrans-66.7-31.2-177.3-67.6-176.3178.8-177.90111.8W462 Q463 E464K460-W462 PolarHBondContact O-N 2.97Å; K460-Q463 PolarHBondContact O-N 2.64Å; K460-E464 PolarHBondContact O-N 2.88Å
461E98.1Very high97.4Very high104 Ų10470.3 Ų70.349%0.48635%0.346SS..Hα-helixtrans-60.7-32.5179.1-62.382.9172.200111.6V403 P459 E464 V465V403-E461 HydrophobicContact CG1-CB 3.9Å; V403-E461 HydrophobicContact CG2-CB 4.3Å; P459-E461 PolarHBondContact O-N 2.87Å; E461-E464 PolarHBondContact O-N 3.42Å; E461-V465 WeakPolarHBondContact O-CB 3.3Å; E461-V465 VanDerWaalsContact O-CG2 3.32Å; E461-V465 WeakPolarHBondContact O-CG2 3.45Å; E461-V465 PolarHBondContact O-N 2.93Å
462W98.6Very high97.4Very high6 Ų670.7 Ų70.72%0.02335%0.348CS..Hα-helixtrans-61.8-49.2177-63.9-7.8000110.9F396 A399 D400 L444 A447 V448 A458 P459 K460 A466F396-W462 HydrophobicContact CB-CH2 3.68Å; F396-W462 HydrophobicContact CB-CZ2 3.99Å; F396-W462 AromaticContact CD1-CH2 3.36Å; F396-W462 HydrophobicContact CD1-CH2 3.36Å; F396-W462 HydrophobicContact CD1-CZ2 4.38Å; F396-W462 AromaticContact CD1-CZ3 3.59Å; F396-W462 HydrophobicContact CD1-CZ3 3.59Å; F396-W462 HydrophobicContact CD2-CH2 4.32Å; F396-W462 HydrophobicContact CE1-CH2 4.05Å; F396-W462 AromaticContact CE1-CZ3 3.92Å; F396-W462 HydrophobicContact CE1-CZ3 3.92Å; F396-W462 AromaticContact CG-CH2 3.52Å; F396-W462 HydrophobicContact CG-CH2 3.52Å; F396-W462 HydrophobicContact CG-CZ2 4.34Å; F396-W462 HydrophobicContact CG-CZ3 4.23Å; A399-W462 HydrophobicContact CB-CD2 3.89Å; A399-W462 HydrophobicContact CB-CE3 4.48Å; A399-W462 HydrophobicContact CB-CG 4.13Å; A399-W462 HydrophobicContact CB-CZ2 4.17Å; D400-W462 PolarHBondContact OD1-NE1 2.85Å; L444-W462 HydrophobicContact CD2-CB 4.17Å; L444-W462 HydrophobicContact CD2-CG 4.35Å; A447-W462 HydrophobicContact CB-CD2 4.34Å; A447-W462 HydrophobicContact CB-CE3 3.76Å; A447-W462 HydrophobicContact CB-CZ3 3.98Å; V448-W462 HydrophobicContact CG2-CB 3.96Å; V448-W462 HydrophobicContact CG2-CE3 4.42Å; A458-W462 HydrophobicContact CB-CE3 4.03Å; A458-W462 HydrophobicContact CB-CZ3 4.26Å; P459-W462 HydrophobicContact CB-CD2 4.16Å; P459-W462 HydrophobicContact CB-CG 4.18Å; P459-W462 HydrophobicContact CG-CD2 4Å; P459-W462 HydrophobicContact CG-CE3 4.47Å; P459-W462 HydrophobicContact CG-CH2 4.12Å; P459-W462 HydrophobicContact CG-CZ2 3.65Å; P459-W462 PolarHBondContact O-N 2.95Å; K460-W462 PolarHBondContact O-N 2.97Å; W462-A466 WeakPolarHBondContact O-CB 3.31Å; W462-A466 PolarHBondContact O-N 3.25Å; W462-A466 VanDerWaalsContact O-N 3.11Å
463Q98.4Very high97.4Very high102 Ų10269 Ų6948%0.47734%0.335SS..Hα-helixtrans-67-44.4177.6-175.9174.41.700111.6V448 K460 V465 A466 E467V448-Q463 HydrophobicContact CG2-CB 4.25Å; K460-Q463 PolarHBondContact O-N 2.64Å; Q463-V465 PolarHBondContact O-N 3.32Å; Q463-A466 PolarHBondContact O-N 3.38Å; Q463-E467 HydrophobicContact CG-CG 4.37Å; Q463-E467 VanDerWaalsContact CG-OE1 3.31Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.38Å; Q463-E467 PolarHBondContact NE2-OE1 3.26Å; Q463-E467 WeakPolarHBondContact O-CG 3.32Å; Q463-E467 PolarHBondContact O-N 2.87Å
464E98.4Very high97.6Very high70 Ų7067 Ų6733%0.32733%0.328SS..Hα-helixtrans-59.8-44.3-179.1179170-160.200112.3Y415 K460 E461 R468Y415-E464 HydrophobicContact CE2-CG 4.05Å; K460-E464 PolarHBondContact O-N 2.88Å; E461-E464 PolarHBondContact O-N 3.42Å; E464-R468 PolarHBondContact O-N 2.78Å; E464-R468 IonicContact OE1-CZ 2.85Å; E464-R468 IonicContact OE1-NH1 2.61Å; E464-R468 PolarHBondContact OE1-NH1 3.46Å
465V98.8Very high97.6Very high2 Ų271.6 Ų71.61%0.01235%0.349CS..Hα-helixtrans-68.4-42.9177.1175.60000110.8V403 V406 Y415 L444 E461 Q463 E467 R468 I469V403-V465 HydrophobicContact CG2-CB 4.42Å; V403-V465 HydrophobicContact CG2-CG2 4.09Å; V406-V465 HydrophobicContact CB-CG1 4.47Å; V406-V465 HydrophobicContact CG1-CG1 3.94Å; V406-V465 HydrophobicContact CG2-CG1 3.9Å; V406-V465 HydrophobicContact CG2-CG2 4Å; Y415-V465 HydrophobicContact CD1-CG2 4.22Å; Y415-V465 HydrophobicContact CD2-CB 4.29Å; Y415-V465 HydrophobicContact CD2-CG1 4.38Å; Y415-V465 HydrophobicContact CD2-CG2 4.04Å; Y415-V465 HydrophobicContact CE1-CG2 4.03Å; Y415-V465 HydrophobicContact CE2-CB 4.42Å; Y415-V465 HydrophobicContact CE2-CG2 3.85Å; Y415-V465 HydrophobicContact CG-CG1 4.33Å; Y415-V465 HydrophobicContact CG-CG2 4.22Å; L444-V465 HydrophobicContact CD1-CB 3.85Å; L444-V465 HydrophobicContact CD1-CG1 3.52Å; E461-V465 WeakPolarHBondContact O-CB 3.3Å; E461-V465 VanDerWaalsContact O-CG2 3.32Å; E461-V465 WeakPolarHBondContact O-CG2 3.45Å; E461-V465 PolarHBondContact O-N 2.93Å; Q463-V465 PolarHBondContact O-N 3.32Å; V465-E467 VanDerWaalsContact C-N 3.26Å; V465-E467 PolarHBondContact O-N 2.79Å; V465-R468 PolarHBondContact O-N 2.74Å; V465-I469 WeakPolarHBondContact O-CB 3.32Å; V465-I469 PolarHBondContact O-N 2.87Å
466A98.6Very high97.6Very high3 Ų371.3 Ų71.33%0.02535%0.348CS..Hα-helixtrans-59.3-36.5178.700000113.4K441 L444 Q445 W462 Q463K441-A466 WeakPolarHBondContact CG-O 3.43Å; L444-A466 HydrophobicContact CB-CB 3.73Å; L444-A466 HydrophobicContact CD1-CB 4.33Å; Q445-A466 HydrophobicContact CG-CB 3.97Å; W462-A466 WeakPolarHBondContact O-CB 3.31Å; W462-A466 PolarHBondContact O-N 3.25Å; W462-A466 VanDerWaalsContact O-N 3.11Å; Q463-A466 PolarHBondContact O-N 3.38Å
467E98.3Very high97.8Very high121 Ų12170.4 Ų70.457%0.56535%0.346SS*.Hα-helixtrans-77.3-25.5-179.3-73.2176.3-177.500113.2Q463 V465Q463-E467 HydrophobicContact CG-CG 4.37Å; Q463-E467 VanDerWaalsContact CG-OE1 3.31Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.38Å; Q463-E467 PolarHBondContact NE2-OE1 3.26Å; Q463-E467 WeakPolarHBondContact O-CG 3.32Å; Q463-E467 PolarHBondContact O-N 2.87Å; V465-E467 VanDerWaalsContact C-N 3.26Å; V465-E467 PolarHBondContact O-N 2.79Å
468R98.5Very high97.9Very high104 Ų10468 Ų6839%0.39232%0.323SS..Hα-helixtrans-121.41.6-170.5-63.9-173.3-173.2151.18115.2W408 K414 Y415 E464 V465W408-R468 HydrophobicContact CZ3-CB 4.44Å; K414-R468 CarbonylContact C-O 3.59Å; K414-R468 VanDerWaalsContact CA-O 3.28Å; K414-R468 WeakPolarHBondContact CA-O 3.39Å; K414-R468 WeakPolarHBondContact CB-O 3.11Å; Y415-R468 HydrophobicContact CD2-CB 3.82Å; Y415-R468 HydrophobicContact CE2-CB 4.17Å; Y415-R468 PolarHBondContact N-O 2.9Å; E464-R468 PolarHBondContact O-N 2.78Å; E464-R468 IonicContact OE1-CZ 2.85Å; E464-R468 IonicContact OE1-NH1 2.61Å; E464-R468 PolarHBondContact OE1-NH1 3.46Å; V465-R468 PolarHBondContact O-N 2.74Å
469I98.6Very high98Very high10 Ų1067.1 Ų67.15%0.05132%0.315CS..BIsolated β-bridgetrans-64.8135.7173-168.8169.8000110.5V406 Y415 L417 N437 A440 K441 V465V406-I469 HydrophobicContact CG1-CD1 4.16Å; Y415-I469 CarbonylContact O-C 3.55Å; Y415-I469 WeakPolarHBondContact O-CA 3.4Å; L417-I469 HydrophobicContact CD1-CD1 4.03Å; L417-I469 HydrophobicContact CG-CD1 4.24Å; N437-I469 HydrophobicContact CB-CD1 4.22Å; N437-I469 HydrophobicContact CB-CG1 4.33Å; A440-I469 HydrophobicContact CB-CD1 3.95Å; K441-I469 HydrophobicContact CB-CG2 3.77Å; K441-I469 HydrophobicContact CD-CG2 4.31Å; K441-I469 HydrophobicContact CG-CG2 4.26Å; V465-I469 WeakPolarHBondContact O-CB 3.32Å; V465-I469 PolarHBondContact O-N 2.87Å
470E98.1Very high98Very high37 Ų3765.7 Ų65.717%0.17330%0.304CS..  trans-69.4134.1-176.5177.759.4137.200111.3K414 Y415 N437K414-E470 HydrophobicContact CB-CB 4.45Å; K414-E470 HydrophobicContact CD-CB 4.05Å; K414-E470 HydrophobicContact CD-CG 4.32Å; K414-E470 WeakPolarHBondContact CD-OE2 3.43Å; K414-E470 WeakPolarHBondContact CE-OE2 3.42Å; K414-E470 IonicContact NZ-OE1 3.7Å; K414-E470 PolarHBondContact NZ-OE1 3.47Å; K414-E470 IonicContact NZ-OE2 3.55Å; K414-E470 PolarHBondContact NZ-OE2 3.12Å; Y415-E470 PolarHBondContact O-N 3Å; N437-E470 VanDerWaalsContact CB-O 3.24Å; N437-E470 WeakPolarHBondContact CB-O 3.35Å; N437-E470 PolarHBondContact ND2-O 3.33Å
471I98.2Very high98.1Very high30 Ų3058.2 Ų58.215%0.15427%0.274CS..  trans-122108.1171.8-54.5-64000106V434 N437 K441 F473V434-I471 HydrophobicContact CG2-CG2 3.89Å; N437-I471 HydrophobicContact CB-CD1 3.84Å; K441-I471 HydrophobicContact CD-CD1 4.46Å; I471-F473 PolarHBondContact O-N 3.15Å
472P98Very high98.1Very high8 Ų853.3 Ų53.35%0.05225%0.251CS..  trans-51.9127.2179.4-2629.9000112.1N432 V434 H480 P481N432-P472 HydrophobicContact CB-CG 4.07Å; N432-P472 WeakPolarHBondContact O-CG 3.32Å; V434-P472 HydrophobicContact CB-CB 4.41Å; V434-P472 HydrophobicContact CB-CG 4.1Å; V434-P472 HydrophobicContact CG2-CG 4.47Å; P472-H480 PolarHBondContact O-CD2 2.92Å; P472-P481 HydrophobicContact CB-CB 4.49Å; P472-P481 WeakPolarHBondContact CB-O 3.4Å
473F98.2Very high98.1Very high78 Ų7854.2 Ų54.234%0.34225%0.254SS..  trans-150.6126.9177.1-175.7-106.4000110.1I471 Q475 H480 V512I471-F473 PolarHBondContact O-N 3.15Å; F473-Q475 HydrophobicContact CD1-CG 4.26Å; F473-Q475 HydrophobicContact CE1-CG 4.18Å; F473-H480 AromaticContact CD2-CD2 3.68Å; F473-H480 AromaticContact CD2-NE2 3.64Å; F473-V512 HydrophobicContact CE2-CG1 3.84Å; F473-V512 HydrophobicContact CE2-CG2 4.11Å; F473-V512 HydrophobicContact CZ-CG2 4.13Å
474D97.9Very high98.1Very high44 Ų4452.6 Ų52.624%0.23525%0.249CC..BIsolated β-bridgetrans-91.5110.1176.2-171.2-44.5000109.5E476 L477 Q478 Y479 P481D474-E476 VanDerWaalsContact C-N 3.33Å; D474-E476 PolarHBondContact O-N 3.17Å; D474-E476 WeakPolarHBondContact OD1-CA 3.33Å; D474-E476 PolarHBondContact OD1-N 3.25Å; D474-L477 HydrophobicContact CB-CB 4.34Å; D474-L477 PolarHBondContact OD1-N 3.03Å; D474-Q478 VanDerWaalsContact O-CA 3.27Å; D474-Q478 WeakPolarHBondContact O-CA 3.38Å; D474-Q478 PolarHBondContact O-N 2.78Å; D474-Y479 HydrophobicContact CB-CD1 3.77Å; D474-Y479 HydrophobicContact CB-CE1 3.59Å; D474-Y479 PolarHBondContact N-O 2.94Å; D474-P481 HydrophobicContact CB-CG 4.06Å
475Q96.7Very high98Very high142 Ų14252.8 Ų52.866%0.66427%0.269SS*.THydrogen-bonded Turntrans-69.7-24.8179.8-98.3-73.81.300113.8F473 Q478F473-Q475 HydrophobicContact CD1-CG 4.26Å; F473-Q475 HydrophobicContact CE1-CG 4.18Å; Q475-Q478 PolarHBondContact O-NE2 3.43Å
476E96.5Very high97.9Very high185 Ų18553.5 Ų53.586%0.86427%0.272SS*.THydrogen-bonded Turntrans-83.2-43-179-64.1-171.3173.300110.8D474D474-E476 VanDerWaalsContact C-N 3.33Å; D474-E476 PolarHBondContact O-N 3.17Å; D474-E476 WeakPolarHBondContact OD1-CA 3.33Å; D474-E476 PolarHBondContact OD1-N 3.25Å
477L96.7Very high97.7Very high88 Ų8856.7 Ų56.746%0.46129%0.294SS..THydrogen-bonded Turntrans-91.6-7.2-177.9-64.9179.3000113.5D474 Y479 N515D474-L477 HydrophobicContact CB-CB 4.34Å; D474-L477 PolarHBondContact OD1-N 3.03Å; L477-Y479 VanDerWaalsContact C-N 3.34Å; L477-Y479 HydrophobicContact CB-CD1 3.44Å; L477-Y479 VanDerWaalsContact CB-CD1 3.44Å; L477-Y479 HydrophobicContact CB-CE1 3.65Å; L477-Y479 HydrophobicContact CD1-CD1 4.32Å; L477-Y479 HydrophobicContact CD1-CE1 3.68Å; L477-Y479 HydrophobicContact CG-CE1 4.31Å; L477-Y479 PolarHBondContact O-N 3.11Å; L477-N515 PolarHBondContact O-ND2 3.11Å
478Q98Very high97.5Very high53 Ų5356.1 Ų56.125%0.24829%0.29CS..THydrogen-bonded Turntrans51.249.9178.3-64.4-68.6-64.400112.2D474 Q475 V512 N515D474-Q478 VanDerWaalsContact O-CA 3.27Å; D474-Q478 WeakPolarHBondContact O-CA 3.38Å; D474-Q478 PolarHBondContact O-N 2.78Å; Q475-Q478 PolarHBondContact O-NE2 3.43Å; Q478-V512 HydrophobicContact CB-CG2 4.26Å; Q478-V512 WeakPolarHBondContact O-CA 3.39Å; Q478-N515 WeakPolarHBondContact O-CB 3.29Å; Q478-N515 PolarHBondContact O-ND2 3.04Å
479Y98.1Very high97.3Very high6 Ų653.5 Ų53.52%0.02430%0.295CS..BIsolated β-bridgetrans-145.2167.6175.786.6-65.5000109.8D474 L477 P481 K488 D516 A519 Y520D474-Y479 HydrophobicContact CB-CD1 3.77Å; D474-Y479 HydrophobicContact CB-CE1 3.59Å; D474-Y479 PolarHBondContact N-O 2.94Å; L477-Y479 VanDerWaalsContact C-N 3.34Å; L477-Y479 HydrophobicContact CB-CD1 3.44Å; L477-Y479 VanDerWaalsContact CB-CD1 3.44Å; L477-Y479 HydrophobicContact CB-CE1 3.65Å; L477-Y479 HydrophobicContact CD1-CD1 4.32Å; L477-Y479 HydrophobicContact CD1-CE1 3.68Å; L477-Y479 HydrophobicContact CG-CE1 4.31Å; L477-Y479 PolarHBondContact O-N 3.11Å; Y479-P481 HydrophobicContact CE1-CG 4.37Å; Y479-P481 HydrophobicContact CE2-CG 4.45Å; Y479-P481 WeakPolarHBondContact O-CD 3.25Å; Y479-K488 HydrophobicContact CE2-CD 4.5Å; Y479-D516 WeakPolarHBondContact CA-OD1 3.36Å; Y479-D516 WeakPolarHBondContact CB-OD1 3.41Å; Y479-A519 HydrophobicContact CD2-CB 4.1Å; Y479-A519 HydrophobicContact CE2-CB 4.48Å; Y479-Y520 HydrophobicContact CD2-CE2 4.43Å
480H98.6Very high97.2Very high12 Ų1257.1 Ų57.16%0.05631%0.312CS..  trans-95.6111.6176.7-6194000110V434 P472 F473 T497 L500 V512 D516 Y520V434-H480 HydrophobicContact CG2-CB 4.17Å; P472-H480 PolarHBondContact O-CD2 2.92Å; F473-H480 AromaticContact CD2-CD2 3.68Å; F473-H480 AromaticContact CD2-NE2 3.64Å; H480-T497 HydrophobicContact CB-CG2 3.73Å; H480-L500 HydrophobicContact CB-CD1 3.86Å; H480-V512 VanDerWaalsContact CE1-CG1 3.43Å; H480-V512 WeakPolarHBondContact CE1-CG1 3.3Å; H480-D516 IonicContact CE1-OD2 3.12Å; H480-D516 IonicContact CG-OD1 3.98Å; H480-D516 IonicContact CG-OD2 2.67Å; H480-D516 PolarHBondContact N-OD1 3.31Å; H480-D516 IonicContact ND1-OD1 2.98Å; H480-D516 PolarHBondContact ND1-OD1 3.47Å; H480-D516 IonicContact ND1-OD2 3.63Å; H480-D516 PolarHBondContact ND1-OD2 3.26Å; H480-Y520 WeakPolarHBondContact O-CE2 3.34Å; H480-Y520 PolarHBondContact O-OH 3.1Å
481P98.4Very high97.1Very high18 Ų1858.5 Ų58.512%0.11732%0.324CS..  trans-62.9143.1165.7-18.632.3000110.2P472 D474 Y479 Y483 Y486 Y520P472-P481 HydrophobicContact CB-CB 4.49Å; P472-P481 WeakPolarHBondContact CB-O 3.4Å; D474-P481 HydrophobicContact CB-CG 4.06Å; Y479-P481 HydrophobicContact CE1-CG 4.37Å; Y479-P481 HydrophobicContact CE2-CG 4.45Å; Y479-P481 WeakPolarHBondContact O-CD 3.25Å; P481-Y483 VanDerWaalsContact C-N 3.27Å; P481-Y483 PolarHBondContact O-N 3.49Å; P481-Y486 HydrophobicContact CB-CD1 4.39Å; P481-Y520 WeakPolarHBondContact CA-OH 3.46Å
482E98.2Very high97.1Very high0 Ų057.2 Ų57.20%032%0.318CS..SBendtrans-65.5-32.2-173.1-162.8-174112.200113D424 S433 V434 Y486 V492 D496 Y520D424-E482 VanDerWaalsContact CB-OE1 3.24Å; D424-E482 WeakPolarHBondContact CB-OE1 3.47Å; S433-E482 CarbonylContact C-O 3.56Å; S433-E482 WeakPolarHBondContact CA-O 3.33Å; V434-E482 PolarHBondContact N-O 3.33Å; E482-Y486 HydrophobicContact CB-CD1 4.49Å; E482-Y486 HydrophobicContact CB-CD2 3.8Å; E482-Y486 HydrophobicContact CB-CE2 4.13Å; E482-Y486 HydrophobicContact CB-CG 4Å; E482-V492 WeakPolarHBondContact OE2-CG2 3.36Å; E482-D496 HydrophobicContact CG-CB 4.42Å; E482-Y520 HydrophobicContact CB-CE1 4.2Å; E482-Y520 PolarHBondContact N-OH 3.42Å
483Y98.6Very high97Very high25 Ų2558.7 Ų58.710%0.09832%0.323CS..SBendtrans-158.2171.8175.953.4-98.8000110.6Y427 V430 N431 N432 P481 G485 Y486Y427-Y483 HydrophobicContact CD1-CE1 4.12Å; Y427-Y483 AromaticContact CD1-CZ 3.88Å; Y427-Y483 WeakPolarHBondContact CD1-OH 3.31Å; Y427-Y483 AromaticContact CD2-CE1 3.63Å; Y427-Y483 HydrophobicContact CD2-CE1 3.63Å; Y427-Y483 VanDerWaalsContact CE1-OH 3.26Å; Y427-Y483 WeakPolarHBondContact CE1-OH 3.12Å; Y427-Y483 HydrophobicContact CE2-CE1 4.28Å; Y427-Y483 AromaticContact CG-CE1 3.56Å; Y427-Y483 HydrophobicContact CG-CE1 3.56Å; Y427-Y483 AromaticContact CG-CZ 3.81Å; V430-Y483 HydrophobicContact CB-CD1 4.35Å; V430-Y483 HydrophobicContact CB-CD2 3.89Å; V430-Y483 HydrophobicContact CB-CE2 4.48Å; V430-Y483 HydrophobicContact CB-CG 3.83Å; V430-Y483 HydrophobicContact CG1-CD1 4.19Å; V430-Y483 HydrophobicContact CG1-CD2 3.84Å; V430-Y483 HydrophobicContact CG1-CE1 4.25Å; V430-Y483 HydrophobicContact CG1-CE2 3.92Å; V430-Y483 HydrophobicContact CG1-CG 3.99Å; V430-Y483 HydrophobicContact CG2-CD1 4.19Å; V430-Y483 HydrophobicContact CG2-CG 3.97Å; N431-Y483 WeakPolarHBondContact O-CB 3.17Å; N432-Y483 WeakPolarHBondContact O-CA 3.1Å; P481-Y483 VanDerWaalsContact C-N 3.27Å; P481-Y483 PolarHBondContact O-N 3.49Å; Y483-G485 PolarHBondContact O-N 3.02Å; Y483-Y486 HydrophobicContact CD1-CD2 4.25Å; Y483-Y486 AromaticContact CE1-CD2 3.64Å; Y483-Y486 HydrophobicContact CE1-CD2 3.64Å; Y483-Y486 HydrophobicContact CE1-CE2 4.47Å; Y483-Y486 HydrophobicContact CE1-CG 4.49Å; Y483-Y486 HydrophobicContact CE2-CD2 4.41Å; Y483-Y486 AromaticContact CZ-CD2 3.73Å; Y483-Y486 VanDerWaalsContact O-CB 3.24Å; Y483-Y486 WeakPolarHBondContact O-CB 3.5Å; Y483-Y486 PolarHBondContact O-N 2.8Å
484D98.1Very high97Very high68 Ų6855.3 Ų55.336%0.36431%0.308SS..THydrogen-bonded Turntrans-58121.2177.2-74.8-8.9000111.6N431 N432 Y486N431-D484 HydrophobicContact CB-CB 4.2Å; N431-D484 WeakPolarHBondContact O-CB 3.38Å; N431-D484 PolarHBondContact O-N 3.14Å; N432-D484 WeakPolarHBondContact CB-OD1 3.39Å; N432-D484 PolarHBondContact ND2-OD1 2.77Å; N432-D484 PolarHBondContact ND2-OD2 3.32Å; D484-Y486 VanDerWaalsContact C-N 3.32Å
485G96.2Very high96.9Very high74 Ų7453.3 Ų53.376%0.76330%0.298SS*.THydrogen-bonded Turntrans81.57.7-179.500000114.5Y483 S487Y483-G485 PolarHBondContact O-N 3.02Å; G485-S487 PolarHBondContact O-N 2.83Å
486Y97.2Very high97Very high17 Ų1746.7 Ų46.77%0.06727%0.267CS..PPolyproline II helixtrans-54.2133.2170.9178.3-97.4000110.8P481 E482 Y483 D484 Q490 Y520P481-Y486 HydrophobicContact CB-CD1 4.39Å; E482-Y486 HydrophobicContact CB-CD1 4.49Å; E482-Y486 HydrophobicContact CB-CD2 3.8Å; E482-Y486 HydrophobicContact CB-CE2 4.13Å; E482-Y486 HydrophobicContact CB-CG 4Å; Y483-Y486 HydrophobicContact CD1-CD2 4.25Å; Y483-Y486 AromaticContact CE1-CD2 3.64Å; Y483-Y486 HydrophobicContact CE1-CD2 3.64Å; Y483-Y486 HydrophobicContact CE1-CE2 4.47Å; Y483-Y486 HydrophobicContact CE1-CG 4.49Å; Y483-Y486 HydrophobicContact CE2-CD2 4.41Å; Y483-Y486 AromaticContact CZ-CD2 3.73Å; Y483-Y486 VanDerWaalsContact O-CB 3.24Å; Y483-Y486 WeakPolarHBondContact O-CB 3.5Å; Y483-Y486 PolarHBondContact O-N 2.8Å; D484-Y486 VanDerWaalsContact C-N 3.32Å; Y486-Q490 HydrophobicContact CE2-CB 3.92Å; Y486-Q490 PolarHBondContact OH-O 3.14Å; Y486-Y520 AromaticContact CE1-CE1 3.76Å; Y486-Y520 HydrophobicContact CE1-CE1 3.76Å; Y486-Y520 HydrophobicContact CE2-CE1 4.38Å; Y486-Y520 AromaticContact CZ-CE1 3.63Å; Y486-Y520 WeakPolarHBondContact OH-CE1 3.36Å
487S94.4Very high97.1Very high70 Ų7037.9 Ų37.949%0.4923%0.226SC..PPolyproline II helixtrans-102.9118.1177-64.10000109.3G485 G489 Q490G485-S487 PolarHBondContact O-N 2.83Å; S487-G489 PolarHBondContact O-N 2.82Å; S487-Q490 WeakPolarHBondContact O-CB 3.27Å; S487-Q490 WeakPolarHBondContact O-CG 3.37Å; S487-Q490 PolarHBondContact O-N 3.31Å
488K94.4Very high97.2Very high110 Ų11033.8 Ų33.848%0.47821%0.205SC..THydrogen-bonded Turntrans-53.7128.4178.5-171.9170.5-177.3165.40111.3Y479Y479-K488 HydrophobicContact CE2-CD 4.5Å
489G94.3Very high97.2Very high49 Ų4931.3 Ų31.351%0.50519%0.193SC..THydrogen-bonded Turntrans104.1-4.2-179.100000114.7S487S487-G489 PolarHBondContact O-N 2.82Å
490Q96.2Very high97.2Very high85 Ų8531 Ų3140%0.39719%0.192SC..  trans-68.1145.2172.6-70.8-71.9-2.100110.9Y427 Y486 S487 V523Y427-Q490 WeakPolarHBondContact OH-CB 3.36Å; Y486-Q490 HydrophobicContact CE2-CB 3.92Å; Y486-Q490 PolarHBondContact OH-O 3.14Å; S487-Q490 WeakPolarHBondContact O-CB 3.27Å; S487-Q490 WeakPolarHBondContact O-CG 3.37Å; S487-Q490 PolarHBondContact O-N 3.31Å; Q490-V523 WeakPolarHBondContact O-CB 3.4Å; Q490-V523 WeakPolarHBondContact O-CG2 3.38Å
491P97.1Very high97.1Very high66 Ų6630.9 Ų30.943%0.42919%0.194SC..  trans-65.5148.9-17929.3-35000111.1Y427 V523Y427-P491 VanDerWaalsContact CE2-O 3.3Å; Y427-P491 WeakPolarHBondContact CE2-O 3.15Å; Y427-P491 WeakPolarHBondContact OH-CD 3.45Å; Y427-P491 PolarHBondContact OH-O 3.28Å; P491-V523 WeakPolarHBondContact CA-O 3.13Å
492V97.4Very high97.1Very high3 Ų330.7 Ų30.72%0.01819%0.191CC..BIsolated β-bridgetrans-127.7131.8-179.11720000110.2D424 E482 Q494 Y520 V523 T524 D525D424-V492 HydrophobicContact CB-CG1 4.19Å; D424-V492 VanDerWaalsContact OD2-CA 3.25Å; D424-V492 WeakPolarHBondContact OD2-CA 3.18Å; E482-V492 WeakPolarHBondContact OE2-CG2 3.36Å; V492-Q494 WeakPolarHBondContact CG1-O 3.33Å; V492-Y520 HydrophobicContact CG2-CD1 4.01Å; V492-V523 HydrophobicContact CG2-CG2 4.17Å; V492-V523 PolarHBondContact N-O 2.91Å; V492-T524 CarbonylContact O-C 3.56Å; V492-T524 VanDerWaalsContact O-CA 3.3Å; V492-T524 WeakPolarHBondContact O-CA 3.29Å; V492-D525 PolarHBondContact O-N 2.93Å
493K96.8Very high97Very high40 Ų4031.9 Ų31.917%0.17420%0.199CC..SBendtrans-68-49.2-178.5-174.5-170.6173.7-161.10112.4D424 E425 Y426D424-K493 WeakPolarHBondContact OD1-CB 3.5Å; D424-K493 PolarHBondContact OD1-N 2.82Å; E425-K493 HydrophobicContact CB-CD 3.79Å; E425-K493 HydrophobicContact CG-CD 4.42Å; E425-K493 IonicContact OE1-NZ 2.83Å; E425-K493 PolarHBondContact OE1-NZ 3.38Å; E425-K493 IonicContact OE2-NZ 3.78Å; E425-K493 PolarHBondContact OE2-NZ 3.12Å; Y426-K493 HydrophobicContact CD1-CB 3.82Å; Y426-K493 HydrophobicContact CD1-CD 4.33Å; Y426-K493 HydrophobicContact CD1-CG 4.16Å; Y426-K493 HydrophobicContact CD2-CB 3.88Å; Y426-K493 HydrophobicContact CE1-CB 3.85Å; Y426-K493 HydrophobicContact CE1-CD 4.27Å; Y426-K493 HydrophobicContact CE1-CG 3.84Å; Y426-K493 HydrophobicContact CE2-CB 3.92Å; Y426-K493 HydrophobicContact CG-CB 3.84Å
494Q96.4Very high97Very high6 Ų631.2 Ų31.23%0.02820%0.197CC..SBendtrans-151.5179-171.162.7-171.9-1300112.6P423 E425 V492 D496 M531 T532P423-Q494 VanDerWaalsContact O-CG 3.22Å; P423-Q494 WeakPolarHBondContact O-CG 3.37Å; P423-Q494 PolarHBondContact O-NE2 2.84Å; E425-Q494 PolarHBondContact OE1-NE2 2.84Å; E425-Q494 VanDerWaalsContact OE1-NE2 3.12Å; V492-Q494 WeakPolarHBondContact CG1-O 3.33Å; Q494-D496 PolarHBondContact O-N 3.49Å; Q494-M531 VanDerWaalsContact OE1-CE 3.28Å; Q494-T532 WeakPolarHBondContact CA-OG1 3.44Å; Q494-T532 WeakPolarHBondContact CB-OG1 3.5Å
495A97.2Very high96.8Very high2 Ų230.2 Ų30.22%0.01720%0.203CC..  trans-56.8129.9176.600000110.7W300 V498 M499 T532 M535W300-A495 HydrophobicContact CH2-CB 4.48Å; A495-V498 HydrophobicContact CB-CG2 3.79Å; A495-M499 HydrophobicContact CB-CG 4.06Å; A495-M499 HydrophobicContact CB-SD 4.4Å; A495-M499 WeakPolarHBondContact O-CE 3.45Å; A495-T532 HydrophobicContact CB-CG2 4.07Å; A495-T532 PolarHBondContact N-OG1 3.3Å; A495-M535 HydrophobicContact CB-CB 4.1Å; A495-M535 HydrophobicContact CB-CG 4.22Å
496D98.3Very high96.8Very high3 Ų328 Ų282%0.01617%0.173CC..SBendtrans-139.3-89178.7-173-61.7000110.1P422 P423 D424 Y435 E482 Q494 V498 M499P422-D496 VanDerWaalsContact CB-OD2 3.3Å; P422-D496 WeakPolarHBondContact CB-OD2 3.47Å; P423-D496 HydrophobicContact CB-CB 4.27Å; P423-D496 WeakPolarHBondContact CB-OD2 3.45Å; P423-D496 WeakPolarHBondContact CD-OD2 3.27Å; D424-D496 HydrophobicContact CB-CB 4.34Å; D424-D496 PolarHBondContact N-OD2 3.25Å; D424-D496 VanDerWaalsContact N-OD2 3.07Å; Y435-D496 WeakPolarHBondContact CB-OD1 3.47Å; E482-D496 HydrophobicContact CG-CB 4.42Å; Q494-D496 PolarHBondContact O-N 3.49Å; D496-V498 PolarHBondContact O-N 2.95Å; D496-V498 VanDerWaalsContact O-N 3.13Å; D496-M499 VanDerWaalsContact O-CB 3.28Å; D496-M499 WeakPolarHBondContact O-CB 3.35Å; D496-M499 PolarHBondContact O-N 3.2Å
497T98.4Very high96.7Very high1 Ų133.1 Ų33.11%0.00621%0.208CC..G310 helixtrans-61.6-29.5-178.9-62.40000111.8V434 H480 M499 L500 Y520V434-T497 HydrophobicContact CG1-CG2 4.07Å; V434-T497 VanDerWaalsContact CG1-OG1 3.25Å; V434-T497 WeakPolarHBondContact CG1-OG1 3.31Å; H480-T497 HydrophobicContact CB-CG2 3.73Å; T497-M499 PolarHBondContact O-N 2.98Å; T497-M499 VanDerWaalsContact O-N 3.14Å; T497-L500 HydrophobicContact CG2-CD1 3.86Å; T497-L500 HydrophobicContact CG2-CG 4.47Å; T497-L500 WeakPolarHBondContact O-CB 3.37Å; T497-L500 WeakPolarHBondContact O-CG 3.46Å; T497-L500 PolarHBondContact O-N 3.07Å; T497-L500 VanDerWaalsContact O-N 3.09Å; T497-Y520 VanDerWaalsContact CB-CE2 3.44Å; T497-Y520 HydrophobicContact CG2-CD2 4.01Å; T497-Y520 HydrophobicContact CG2-CE2 3.4Å; T497-Y520 VanDerWaalsContact CG2-CE2 3.4Å
498V98.1Very high96.8Very high2 Ų231.8 Ų31.81%0.01220%0.195CC..G310 helixtrans-66.4-15.9177.6-59.60000113.5A495 D496 L500 R513 L517 Y520 M535 F536A495-V498 HydrophobicContact CB-CG2 3.79Å; D496-V498 PolarHBondContact O-N 2.95Å; D496-V498 VanDerWaalsContact O-N 3.13Å; V498-L500 VanDerWaalsContact C-N 3.31Å; V498-R513 PolarHBondContact O-NH1 3.11Å; V498-R513 PolarHBondContact O-NH2 3.08Å; V498-R513 VanDerWaalsContact O-NH2 3.11Å; V498-L517 HydrophobicContact CB-CD2 4.21Å; V498-L517 HydrophobicContact CG1-CD2 4.04Å; V498-Y520 HydrophobicContact CG1-CD2 4.42Å; V498-M535 HydrophobicContact CG2-CB 4.43Å; V498-F536 HydrophobicContact CB-CE1 4.33Å; V498-F536 HydrophobicContact CB-CZ 4.44Å; V498-F536 HydrophobicContact CG1-CD1 4.1Å; V498-F536 HydrophobicContact CG1-CE1 3.46Å; V498-F536 VanDerWaalsContact CG1-CE1 3.46Å; V498-F536 HydrophobicContact CG1-CE2 4.48Å; V498-F536 HydrophobicContact CG1-CZ 3.68Å; V498-F536 HydrophobicContact CG2-CD2 4.43Å; V498-F536 HydrophobicContact CG2-CE1 4.44Å; V498-F536 HydrophobicContact CG2-CE2 4.11Å; V498-F536 HydrophobicContact CG2-CZ 4.12Å
499M98.4Very high97Very high0 Ų030 Ų300%020%0.195CC..G310 helixtrans-79.6-9.8175.2-65.1-165.5-70.700114W295 W300 P423 Y435 A495 D496 T497 G501 Y502 L504 M535W295-M499 HydrophobicContact CH2-CE 3.75Å; W295-M499 HydrophobicContact CH2-SD 4.34Å; W295-M499 HydrophobicContact CZ3-CE 3.85Å; W295-M499 HydrophobicContact CZ3-SD 4.31Å; W300-M499 HydrophobicContact CH2-SD 3.45Å; W300-M499 WeakPolarHBondContact CH2-SD 3.28Å; W300-M499 HydrophobicContact CZ2-SD 3.93Å; W300-M499 HydrophobicContact CZ3-SD 4.34Å; P423-M499 HydrophobicContact CB-CE 4.09Å; P423-M499 HydrophobicContact CG-CE 3.91Å; Y435-M499 HydrophobicContact CD2-CB 3.91Å; Y435-M499 HydrophobicContact CD2-CE 3.63Å; Y435-M499 HydrophobicContact CE1-CE 4.2Å; Y435-M499 HydrophobicContact CE2-CB 3.61Å; Y435-M499 HydrophobicContact CE2-CE 3.25Å; Y435-M499 HydrophobicContact CE2-CG 4.39Å; Y435-M499 HydrophobicContact CE2-SD 4.01Å; Y435-M499 HydrophobicContact CG-CE 4.24Å; A495-M499 HydrophobicContact CB-CG 4.06Å; A495-M499 HydrophobicContact CB-SD 4.4Å; A495-M499 WeakPolarHBondContact O-CE 3.45Å; D496-M499 VanDerWaalsContact O-CB 3.28Å; D496-M499 WeakPolarHBondContact O-CB 3.35Å; D496-M499 PolarHBondContact O-N 3.2Å; T497-M499 PolarHBondContact O-N 2.98Å; T497-M499 VanDerWaalsContact O-N 3.14Å; M499-G501 VanDerWaalsContact C-N 3.25Å; M499-G501 PolarHBondContact O-N 3.23Å; M499-Y502 CarbonylContact C-O 3.53Å; M499-Y502 VanDerWaalsContact CA-O 3.25Å; M499-Y502 WeakPolarHBondContact CA-O 3.38Å; M499-Y502 CarbonylContact O-C 3.58Å; M499-L504 WeakPolarHBondContact O-CB 3.45Å; M499-L504 WeakPolarHBondContact O-CG 3.38Å; M499-L504 PolarHBondContact O-N 2.78Å; M499-M535 HydrophobicContact CG-CG 4.28Å
500L98.6Very high97.2Very high0 Ų032.2 Ų32.20%020%0.2CC..G310 helixtrans-58-38.5176.2-65.5179.8000111.9V434 T438 H480 T497 V498 L504 G505 L506 M508V434-L500 HydrophobicContact CG1-CD1 4.26Å; V434-L500 HydrophobicContact CG2-CD1 3.73Å; V434-L500 HydrophobicContact CG2-CD2 4.25Å; T438-L500 HydrophobicContact CG2-CD2 3.91Å; T438-L500 VanDerWaalsContact OG1-CD2 3.29Å; T438-L500 WeakPolarHBondContact OG1-CD2 3.38Å; H480-L500 HydrophobicContact CB-CD1 3.86Å; T497-L500 HydrophobicContact CG2-CD1 3.86Å; T497-L500 HydrophobicContact CG2-CG 4.47Å; T497-L500 WeakPolarHBondContact O-CB 3.37Å; T497-L500 WeakPolarHBondContact O-CG 3.46Å; T497-L500 PolarHBondContact O-N 3.07Å; T497-L500 VanDerWaalsContact O-N 3.09Å; V498-L500 VanDerWaalsContact C-N 3.31Å; L500-L504 HydrophobicContact CD2-CD1 4.19Å; L500-G505 PolarHBondContact O-N 2.92Å; L500-L506 HydrophobicContact CB-CB 4.3Å; L500-L506 HydrophobicContact CB-CD2 4.19Å; L500-L506 HydrophobicContact CD1-CD2 4.17Å; L500-L506 HydrophobicContact CD2-CD2 4.19Å; L500-L506 HydrophobicContact CG-CD2 4.42Å; L500-L506 WeakPolarHBondContact O-CB 3.47Å; L500-L506 PolarHBondContact O-N 2.95Å; L500-M508 HydrophobicContact CB-CE 3.73Å
501G97.1Very high97.3Very high9 Ų934.2 Ų34.29%0.09321%0.209CC..THydrogen-bonded Turntrans-71-62.4175.500000112.4M499 G505M499-G501 VanDerWaalsContact C-N 3.25Å; M499-G501 PolarHBondContact O-N 3.23Å; G501-G505 WeakPolarHBondContact O-CA 3.47Å; G501-G505 PolarHBondContact O-N 2.91Å
502Y97.4Very high97.3Very high14 Ų1431.2 Ų31.26%0.05519%0.19CC..THydrogen-bonded Turntrans-132.2134.3171.6174.7-86.8000108.5M499 M535 I538 Q588 F592M499-Y502 CarbonylContact C-O 3.53Å; M499-Y502 VanDerWaalsContact CA-O 3.25Å; M499-Y502 WeakPolarHBondContact CA-O 3.38Å; M499-Y502 CarbonylContact O-C 3.58Å; Y502-M535 HydrophobicContact CD1-CE 4.42Å; Y502-M535 HydrophobicContact CD1-SD 3.81Å; Y502-M535 HydrophobicContact CE1-CE 4.13Å; Y502-M535 HydrophobicContact CE1-SD 4.03Å; Y502-I538 HydrophobicContact CD1-CB 4.43Å; Y502-I538 HydrophobicContact CD1-CD1 3.51Å; Y502-I538 HydrophobicContact CD1-CG2 3.86Å; Y502-I538 HydrophobicContact CE1-CD1 3.45Å; Y502-I538 VanDerWaalsContact CE1-CD1 3.45Å; Y502-I538 HydrophobicContact CG-CD1 4.46Å; Y502-I538 HydrophobicContact CG-CG2 3.85Å; Y502-Q588 HydrophobicContact CE1-CB 4.35Å; Y502-Q588 PolarHBondContact OH-OE1 3.12Å; Y502-F592 HydrophobicContact CE1-CB 4.44Å; Y502-F592 HydrophobicContact CE2-CB 3.78Å; Y502-F592 HydrophobicContact CE2-CD1 4.16Å; Y502-F592 AromaticContact CE2-CG 3.96Å; Y502-F592 HydrophobicContact CE2-CG 3.96Å; Y502-F592 AromaticContact CZ-CG 3.77Å; Y502-F592 WeakPolarHBondContact OH-CD2 3.34Å; Y502-F592 WeakPolarHBondContact OH-CG 3.5Å
503P96.8Very high97.4Very high25 Ų2531.5 Ų31.516%0.16219%0.19CC..THydrogen-bonded Turncis-87.8-7.110.133.7-35.7000115.7V299 L371 G505V299-P503 HydrophobicContact CG1-CG 4.16Å; L371-P503 HydrophobicContact CD2-CB 4.25Å; L371-P503 HydrophobicContact CD2-CG 4.16Å; P503-G505 VanDerWaalsContact C-N 3.33Å; P503-G505 PolarHBondContact O-N 3.38Å
504L97.6Very high97.5Very high12 Ų1232.8 Ų32.86%0.06319%0.194CC..THydrogen-bonded Turntrans-70.4-24.9-170.4-59.5-166.9000114.6L371 Y435 T438 V439 L442 M499 L500 L506L371-L504 HydrophobicContact CD2-CD2 3.79Å; Y435-L504 HydrophobicContact CD2-CD1 3.78Å; Y435-L504 HydrophobicContact CE2-CD1 3.6Å; Y435-L504 HydrophobicContact CE2-CD2 4.16Å; Y435-L504 HydrophobicContact CE2-CG 3.94Å; T438-L504 HydrophobicContact CG2-CD1 3.71Å; V439-L504 HydrophobicContact CG1-CD1 3.59Å; V439-L504 HydrophobicContact CG1-CD2 3.6Å; V439-L504 HydrophobicContact CG1-CG 4.25Å; L442-L504 HydrophobicContact CD1-CB 3.93Å; L442-L504 HydrophobicContact CD1-CD2 4.36Å; L442-L504 WeakPolarHBondContact CD1-O 3.47Å; M499-L504 WeakPolarHBondContact O-CB 3.45Å; M499-L504 WeakPolarHBondContact O-CG 3.38Å; M499-L504 PolarHBondContact O-N 2.78Å; L500-L504 HydrophobicContact CD2-CD1 4.19Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 2.9Å
505G95.7Very high97.6Very high47 Ų4734.2 Ų34.249%0.48520%0.202SC..  trans69.924.1177.100000114.1L500 G501 P503 P507L500-G505 PolarHBondContact O-N 2.92Å; G501-G505 WeakPolarHBondContact O-CA 3.47Å; G501-G505 PolarHBondContact O-N 2.91Å; P503-G505 VanDerWaalsContact C-N 3.33Å; P503-G505 PolarHBondContact O-N 3.38Å; G505-P507 WeakPolarHBondContact O-CD 3.42Å
506L96.2Very high97.6Very high26 Ų2634.1 Ų34.114%0.13620%0.201CC..  trans-60.4118.1179.2-176.466.9000109.5T438 L500 L504 M508T438-L506 HydrophobicContact CG2-CB 4.47Å; T438-L506 HydrophobicContact CG2-CD1 4.28Å; T438-L506 HydrophobicContact CG2-CD2 4.39Å; L500-L506 HydrophobicContact CB-CB 4.3Å; L500-L506 HydrophobicContact CB-CD2 4.19Å; L500-L506 HydrophobicContact CD1-CD2 4.17Å; L500-L506 HydrophobicContact CD2-CD2 4.19Å; L500-L506 HydrophobicContact CG-CD2 4.42Å; L500-L506 WeakPolarHBondContact O-CB 3.47Å; L500-L506 PolarHBondContact O-N 2.95Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 2.9Å; L506-M508 HydrophobicContact CB-CE 4Å; L506-M508 HydrophobicContact CD2-CE 4.14Å; L506-M508 HydrophobicContact CG-CE 4.26Å; L506-M508 WeakPolarHBondContact O-CE 3.34Å; L506-M508 PolarHBondContact O-N 3.12Å
507P94.8Very high97.6Very high125 Ų12534 Ų3481%0.81220%0.2SC*.  trans-64.7121.7-179.8-2334.9000111.2G505G505-P507 WeakPolarHBondContact O-CD 3.42Å
508M96.4Very high97.6Very high43 Ų4338.2 Ų38.221%0.21222%0.22CC..  trans-146.4153.9177.764.7-173.474.500111.5L500 L506 V512 R513L500-M508 HydrophobicContact CB-CE 3.73Å; L506-M508 HydrophobicContact CB-CE 4Å; L506-M508 HydrophobicContact CD2-CE 4.14Å; L506-M508 HydrophobicContact CG-CE 4.26Å; L506-M508 WeakPolarHBondContact O-CE 3.34Å; L506-M508 PolarHBondContact O-N 3.12Å; M508-V512 HydrophobicContact CB-CB 4.4Å; M508-V512 HydrophobicContact CB-CG1 4.3Å; M508-V512 HydrophobicContact SD-CG1 4.34Å; M508-R513 HydrophobicContact CG-CB 4.07Å; M508-R513 HydrophobicContact SD-CB 3.84Å; M508-R513 HydrophobicContact SD-CG 4.42Å
509P97.7Very high97.6Very high73 Ų7338.4 Ų38.447%0.47422%0.222SC..  trans-59.8148.2171.7-22.933.7000112E511 V512 R513P509-E511 PolarHBondContact O-N 2.96Å; P509-E511 VanDerWaalsContact O-N 3.15Å; P509-V512 HydrophobicContact CB-CG2 4.22Å; P509-V512 HydrophobicContact CG-CG2 4.07Å; P509-V512 PolarHBondContact O-N 3.39Å; P509-V512 VanDerWaalsContact O-N 3.08Å; P509-R513 PolarHBondContact O-N 3.2Å
510P97.8Very high97.6Very high94 Ų9438.7 Ų38.761%0.6122%0.223SC*.Hα-helixtrans-57-29.8175.7-2735.2000114.2R514 L543P510-R514 WeakPolarHBondContact O-CB 3.08Å; P510-R514 PolarHBondContact O-N 3.3Å; P510-L543 HydrophobicContact CB-CD2 3.99Å
511E98.3Very high97.6Very high128 Ų12841.1 Ų41.160%0.59824%0.235SC*.Hα-helixtrans-65.2-48174.6-178.2176.1-177.700111.7P509 R513 R514 N515P509-E511 PolarHBondContact O-N 2.96Å; P509-E511 VanDerWaalsContact O-N 3.15Å; E511-R513 VanDerWaalsContact C-N 3.35Å; E511-R513 PolarHBondContact O-N 2.82Å; E511-R514 WeakPolarHBondContact O-CB 3.36Å; E511-R514 PolarHBondContact O-N 3.3Å; E511-N515 PolarHBondContact O-N 2.75Å; E511-N515 PolarHBondContact O-ND2 3.15Å; E511-N515 PolarHBondContact O-OD1 2.91Å
512V98.6Very high97.6Very high2 Ų245.5 Ų45.51%0.01226%0.261CS..Hα-helixtrans-61.1-46175.7175.70000110.5F473 Q478 H480 M508 P509 R514 N515 D516F473-V512 HydrophobicContact CE2-CG1 3.84Å; F473-V512 HydrophobicContact CE2-CG2 4.11Å; F473-V512 HydrophobicContact CZ-CG2 4.13Å; Q478-V512 HydrophobicContact CB-CG2 4.26Å; Q478-V512 WeakPolarHBondContact O-CA 3.39Å; H480-V512 VanDerWaalsContact CE1-CG1 3.43Å; H480-V512 WeakPolarHBondContact CE1-CG1 3.3Å; M508-V512 HydrophobicContact CB-CB 4.4Å; M508-V512 HydrophobicContact CB-CG1 4.3Å; M508-V512 HydrophobicContact SD-CG1 4.34Å; P509-V512 HydrophobicContact CB-CG2 4.22Å; P509-V512 HydrophobicContact CG-CG2 4.07Å; P509-V512 PolarHBondContact O-N 3.39Å; P509-V512 VanDerWaalsContact O-N 3.08Å; V512-R514 VanDerWaalsContact C-N 3.27Å; V512-R514 PolarHBondContact O-N 2.91Å; V512-N515 PolarHBondContact O-N 3.22Å; V512-N515 VanDerWaalsContact O-N 3.09Å; V512-D516 PolarHBondContact O-N 2.97Å
513R98.3Very high97.6Very high9 Ų946.3 Ų46.33%0.03427%0.267CS..Hα-helixtrans-57.1-41.6177-178.956.1173.5156-6.1112.1V498 M508 P509 E511 L517 G539 E542 L543V498-R513 PolarHBondContact O-NH1 3.11Å; V498-R513 PolarHBondContact O-NH2 3.08Å; V498-R513 VanDerWaalsContact O-NH2 3.11Å; M508-R513 HydrophobicContact CG-CB 4.07Å; M508-R513 HydrophobicContact SD-CB 3.84Å; M508-R513 HydrophobicContact SD-CG 4.42Å; P509-R513 PolarHBondContact O-N 3.2Å; E511-R513 VanDerWaalsContact C-N 3.35Å; E511-R513 PolarHBondContact O-N 2.82Å; R513-L517 HydrophobicContact CG-CD1 4.42Å; R513-L517 WeakPolarHBondContact O-CG 3.3Å; R513-L517 PolarHBondContact O-N 3.44Å; R513-G539 VanDerWaalsContact NH2-CA 3.28Å; R513-E542 IonicContact CZ-OE2 2.63Å; R513-E542 IonicContact NE-OE2 3.29Å; R513-E542 PolarHBondContact NE-OE2 3.49Å; R513-E542 IonicContact NH2-OE2 2.72Å; R513-E542 PolarHBondContact NH2-OE2 2.89Å; R513-L543 HydrophobicContact CB-CD2 4.2Å; R513-L543 HydrophobicContact CG-CD1 4.32Å; R513-L543 HydrophobicContact CG-CD2 4.06Å; R513-L543 HydrophobicContact CG-CG 4.23Å
514R98.7Very high97.6Very high68 Ų6845.5 Ų45.526%0.25726%0.262SS..Hα-helixtrans-65.4-46.1175.3-177174.7-66.3-93.4-0.4111.4P510 E511 V512 D516 L517 E518 W540 L543 E545P510-R514 WeakPolarHBondContact O-CB 3.08Å; P510-R514 PolarHBondContact O-N 3.3Å; E511-R514 WeakPolarHBondContact O-CB 3.36Å; E511-R514 PolarHBondContact O-N 3.3Å; V512-R514 VanDerWaalsContact C-N 3.27Å; V512-R514 PolarHBondContact O-N 2.91Å; R514-D516 VanDerWaalsContact C-N 3.31Å; R514-D516 PolarHBondContact O-N 3.06Å; R514-L517 PolarHBondContact O-N 2.97Å; R514-E518 HydrophobicContact CG-CG 4.24Å; R514-E518 WeakPolarHBondContact O-CG 3.36Å; R514-E518 PolarHBondContact O-N 3.4Å; R514-W540 HydrophobicContact CG-CH2 4.46Å; R514-W540 HydrophobicContact CG-CZ3 4.28Å; R514-L543 HydrophobicContact CB-CD1 3.72Å; R514-L543 HydrophobicContact CG-CD1 4.26Å; R514-E545 IonicContact CZ-OE1 3.86Å; R514-E545 VanDerWaalsContact CZ-OE1 3.28Å; R514-E545 IonicContact NH1-OE1 3.15Å; R514-E545 PolarHBondContact NH1-OE1 2.87Å; R514-E545 IonicContact NH2-OE1 3.77Å; R514-E545 PolarHBondContact NH2-OE1 2.8Å
515N98.5Very high97.5Very high35 Ų3546.9 Ų46.919%0.18727%0.27CS..Hα-helixtrans-62-38.6-179.5-68-17.2000112.1L477 Q478 E511 V512 A519L477-N515 PolarHBondContact O-ND2 3.11Å; Q478-N515 WeakPolarHBondContact O-CB 3.29Å; Q478-N515 PolarHBondContact O-ND2 3.04Å; E511-N515 PolarHBondContact O-N 2.75Å; E511-N515 PolarHBondContact O-ND2 3.15Å; E511-N515 PolarHBondContact O-OD1 2.91Å; V512-N515 PolarHBondContact O-N 3.22Å; V512-N515 VanDerWaalsContact O-N 3.09Å; N515-A519 WeakPolarHBondContact O-CB 3.5Å; N515-A519 PolarHBondContact O-N 3.32Å
516D98.6Very high97.2Very high0 Ų048.7 Ų48.70%027%0.273CS..Hα-helixtrans-60.6-51.9173.2-67.4-22.6000110.5Y479 H480 V512 R514 E518 A519 Y520Y479-D516 WeakPolarHBondContact CA-OD1 3.36Å; Y479-D516 WeakPolarHBondContact CB-OD1 3.41Å; H480-D516 IonicContact CE1-OD2 3.12Å; H480-D516 IonicContact CG-OD1 3.98Å; H480-D516 IonicContact CG-OD2 2.67Å; H480-D516 PolarHBondContact N-OD1 3.31Å; H480-D516 IonicContact ND1-OD1 2.98Å; H480-D516 PolarHBondContact ND1-OD1 3.47Å; H480-D516 IonicContact ND1-OD2 3.63Å; H480-D516 PolarHBondContact ND1-OD2 3.26Å; V512-D516 PolarHBondContact O-N 2.97Å; R514-D516 VanDerWaalsContact C-N 3.31Å; R514-D516 PolarHBondContact O-N 3.06Å; D516-E518 PolarHBondContact O-N 3.42Å; D516-A519 PolarHBondContact O-N 3.23Å; D516-Y520 WeakPolarHBondContact O-CD2 3.44Å; D516-Y520 PolarHBondContact O-N 3.49Å; D516-Y520 VanDerWaalsContact O-N 3.13Å
517L98.6Very high96.8Very high0 Ų051.6 Ų51.60%029%0.288CS..Hα-helixtrans-60.3-43.9179.9-66.9166.2000112.2V498 R513 R514 A519 Y520 E521 F536 G539 W540 L543V498-L517 HydrophobicContact CB-CD2 4.21Å; V498-L517 HydrophobicContact CG1-CD2 4.04Å; R513-L517 HydrophobicContact CG-CD1 4.42Å; R513-L517 WeakPolarHBondContact O-CG 3.3Å; R513-L517 PolarHBondContact O-N 3.44Å; R514-L517 PolarHBondContact O-N 2.97Å; L517-A519 VanDerWaalsContact C-N 3.32Å; L517-A519 PolarHBondContact O-N 2.64Å; L517-Y520 PolarHBondContact O-N 2.93Å; L517-E521 VanDerWaalsContact O-CB 3.23Å; L517-E521 WeakPolarHBondContact O-CB 3.35Å; L517-E521 PolarHBondContact O-N 2.78Å; L517-F536 HydrophobicContact CD2-CD1 3.84Å; L517-F536 HydrophobicContact CD2-CE1 4.39Å; L517-G539 VanDerWaalsContact CD1-C 3.43Å; L517-G539 WeakPolarHBondContact CD1-O 3.27Å; L517-W540 HydrophobicContact CB-CH2 4.12Å; L517-W540 HydrophobicContact CB-CZ2 3.77Å; L517-W540 HydrophobicContact CD1-CD2 4.06Å; L517-W540 HydrophobicContact CD1-CE3 4.18Å; L517-W540 HydrophobicContact CD1-CG 4.46Å; L517-L543 HydrophobicContact CD1-CD1 3.74Å
518E98.3Very high96.4Very high91 Ų9146 Ų4643%0.42525%0.254SS..Hα-helixtrans-71-26.6179.5-67.6-177.9171.100113.2R514 D516 P522 W540 K548R514-E518 HydrophobicContact CG-CG 4.24Å; R514-E518 WeakPolarHBondContact O-CG 3.36Å; R514-E518 PolarHBondContact O-N 3.4Å; D516-E518 PolarHBondContact O-N 3.42Å; E518-P522 WeakPolarHBondContact O-CD 3.27Å; E518-W540 HydrophobicContact CG-CH2 3.56Å; E518-W540 HydrophobicContact CG-CZ2 4.11Å; E518-K548 IonicContact OE1-NZ 3.29Å
519A98.1Very high96.2Very high6 Ų644.3 Ų44.35%0.0525%0.246CC..Hα-helixtrans-72.5-42.1175.700000112Y479 N515 D516 L517Y479-A519 HydrophobicContact CD2-CB 4.1Å; Y479-A519 HydrophobicContact CE2-CB 4.48Å; N515-A519 WeakPolarHBondContact O-CB 3.5Å; N515-A519 PolarHBondContact O-N 3.32Å; D516-A519 PolarHBondContact O-N 3.23Å; L517-A519 VanDerWaalsContact C-N 3.32Å; L517-A519 PolarHBondContact O-N 2.64Å
520Y98.6Very high95.8Very high5 Ų540.9 Ų40.92%0.0222%0.224CC..Hα-helixtrans-97.7-34.8-169.5-65.8-69.4000114.2Y479 H480 P481 E482 Y486 V492 T497 V498 D516 L517 P522 V523 T524Y479-Y520 HydrophobicContact CD2-CE2 4.43Å; H480-Y520 WeakPolarHBondContact O-CE2 3.34Å; H480-Y520 PolarHBondContact O-OH 3.1Å; P481-Y520 WeakPolarHBondContact CA-OH 3.46Å; E482-Y520 HydrophobicContact CB-CE1 4.2Å; E482-Y520 PolarHBondContact N-OH 3.42Å; Y486-Y520 AromaticContact CE1-CE1 3.76Å; Y486-Y520 HydrophobicContact CE1-CE1 3.76Å; Y486-Y520 HydrophobicContact CE2-CE1 4.38Å; Y486-Y520 AromaticContact CZ-CE1 3.63Å; Y486-Y520 WeakPolarHBondContact OH-CE1 3.36Å; V492-Y520 HydrophobicContact CG2-CD1 4.01Å; T497-Y520 VanDerWaalsContact CB-CE2 3.44Å; T497-Y520 HydrophobicContact CG2-CD2 4.01Å; T497-Y520 HydrophobicContact CG2-CE2 3.4Å; T497-Y520 VanDerWaalsContact CG2-CE2 3.4Å; V498-Y520 HydrophobicContact CG1-CD2 4.42Å; D516-Y520 WeakPolarHBondContact O-CD2 3.44Å; D516-Y520 PolarHBondContact O-N 3.49Å; D516-Y520 VanDerWaalsContact O-N 3.13Å; L517-Y520 PolarHBondContact O-N 2.93Å; Y520-P522 VanDerWaalsContact C-CD 3.45Å; Y520-V523 VanDerWaalsContact O-CG2 3.25Å; Y520-V523 WeakPolarHBondContact O-CG2 3.33Å; Y520-V523 PolarHBondContact O-N 2.82Å; Y520-V523 VanDerWaalsContact O-N 3.12Å; Y520-T524 PolarHBondContact O-N 2.99Å; Y520-T524 PolarHBondContact O-OG1 2.85Å
521E97.8Very high95.6Very high52 Ų5236.6 Ų36.624%0.24320%0.196CC..THydrogen-bonded Turntrans-52.5-46.3-178.1-172.3-173.113900114.5L517 V523 W533 F536 W540 L552L517-E521 VanDerWaalsContact O-CB 3.23Å; L517-E521 WeakPolarHBondContact O-CB 3.35Å; L517-E521 PolarHBondContact O-N 2.78Å; E521-V523 VanDerWaalsContact C-N 3.26Å; E521-V523 PolarHBondContact O-N 2.84Å; E521-W533 HydrophobicContact CG-CZ3 4.28Å; E521-F536 HydrophobicContact CB-CD1 3.77Å; E521-F536 HydrophobicContact CB-CE1 3.47Å; E521-F536 VanDerWaalsContact CB-CE1 3.47Å; E521-F536 HydrophobicContact CB-CZ 4.19Å; E521-F536 HydrophobicContact CG-CD1 4.09Å; E521-F536 HydrophobicContact CG-CE1 4.18Å; E521-F536 VanDerWaalsContact N-CE1 3.27Å; E521-W540 PolarHBondContact OE2-NE1 2.8Å; E521-L552 HydrophobicContact CG-CD2 4.3Å
522P97.3Very high95.5Very high100 Ų10030.6 Ų30.665%0.64917%0.168SC*.THydrogen-bonded Turntrans-75.1-14-175.929.7-35.2000114.1E518 Y520E518-P522 WeakPolarHBondContact O-CD 3.27Å; Y520-P522 VanDerWaalsContact C-CD 3.45Å
523V97.4Very high95.4Very high31 Ų3131.1 Ų31.119%0.18817%0.17CC..THydrogen-bonded Turntrans-109.2-7.7-177.2-61.40000113.3Q490 P491 V492 Y520 E521Q490-V523 WeakPolarHBondContact O-CB 3.4Å; Q490-V523 WeakPolarHBondContact O-CG2 3.38Å; P491-V523 WeakPolarHBondContact CA-O 3.13Å; V492-V523 HydrophobicContact CG2-CG2 4.17Å; V492-V523 PolarHBondContact N-O 2.91Å; Y520-V523 VanDerWaalsContact O-CG2 3.25Å; Y520-V523 WeakPolarHBondContact O-CG2 3.33Å; Y520-V523 PolarHBondContact O-N 2.82Å; Y520-V523 VanDerWaalsContact O-N 3.12Å; E521-V523 VanDerWaalsContact C-N 3.26Å; E521-V523 PolarHBondContact O-N 2.84Å
524T97.4Very high95.3Very high8 Ų830.7 Ų30.75%0.04917%0.168CC..BIsolated β-bridgetrans-65.6132.5170.3-60.30000111.1V492 Y520 P526 T532 W533 F536V492-T524 CarbonylContact O-C 3.56Å; V492-T524 VanDerWaalsContact O-CA 3.3Å; V492-T524 WeakPolarHBondContact O-CA 3.29Å; Y520-T524 PolarHBondContact O-N 2.99Å; Y520-T524 PolarHBondContact O-OG1 2.85Å; T524-P526 WeakPolarHBondContact O-CD 3.42Å; T524-T532 HydrophobicContact CG2-CG2 3.55Å; T524-W533 HydrophobicContact CG2-CH2 4.2Å; T524-W533 HydrophobicContact CG2-CZ2 4.42Å; T524-F536 HydrophobicContact CG2-CE2 4.22Å; T524-F536 WeakPolarHBondContact OG1-CZ 3.43Å
525D94.4Very high95.2Very high41 Ų4127.4 Ų27.422%0.21916%0.156CC..  trans-56.6118.9180-175.6-3.2000110.8Y426 V492 N527 G528Y426-D525 PolarHBondContact OH-OD2 3.13Å; V492-D525 PolarHBondContact O-N 2.93Å; D525-N527 PolarHBondContact O-N 3.09Å; D525-N527 VanDerWaalsContact O-N 3.17Å; D525-N527 PolarHBondContact OD1-N 2.99Å; D525-G528 PolarHBondContact O-N 2.88Å
526P89.8Confident95.2Very high86 Ų8625.8 Ų25.856%0.55815%0.147SC*.THydrogen-bonded Turntrans-59.1-23.7174.825-35000114.3T524T524-P526 WeakPolarHBondContact O-CD 3.42Å
527N87.1Confident95.2Very high86 Ų8625.8 Ų25.846%0.4615%0.147SC..THydrogen-bonded Turntrans-101.54.7178.3-56-48.4000113D525 S570D525-N527 PolarHBondContact O-N 3.09Å; D525-N527 VanDerWaalsContact O-N 3.17Å; D525-N527 PolarHBondContact OD1-N 2.99Å; N527-S570 PolarHBondContact O-OG 2.86Å
528G87.9Confident95.2Very high9 Ų925.8 Ų25.89%0.09315%0.147CC..SBendtrans-62.8171.7174.500000112.6D525D525-G528 PolarHBondContact O-N 2.88Å
529P90.7Very high95.2Very high6 Ų621.5 Ų21.54%0.03913%0.127CC..  trans-56.4139.4-175-29.938.9000114.7M531 T532 F579P529-M531 VanDerWaalsContact C-N 3.28Å; P529-M531 HydrophobicContact CB-CE 3.51Å; P529-M531 HydrophobicContact CB-SD 3.25Å; P529-M531 WeakPolarHBondContact CB-SD 3.41Å; P529-M531 HydrophobicContact CG-CE 4.33Å; P529-M531 PolarHBondContact O-N 3.07Å; P529-T532 WeakPolarHBondContact O-CB 3.41Å; P529-T532 PolarHBondContact O-N 2.94Å; P529-T532 PolarHBondContact O-OG1 2.88Å; P529-T532 VanDerWaalsContact O-OG1 3.12Å; P529-F579 HydrophobicContact CB-CZ 4.47Å
530A89.1Confident95.2Very high1 Ų121.3 Ų21.31%0.00813%0.125CC..THydrogen-bonded Turntrans-57-24.3-16800000117.1T532 N559 W567 E569 F579A530-T532 VanDerWaalsContact C-N 3.29Å; A530-T532 PolarHBondContact O-N 2.86Å; A530-N559 HydrophobicContact CB-CB 4.19Å; A530-N559 WeakPolarHBondContact CB-ND2 3.28Å; A530-W567 HydrophobicContact CB-CE3 4.29Å; A530-W567 HydrophobicContact CB-CZ3 4.28Å; A530-E569 WeakPolarHBondContact CB-O 3.47Å; A530-E569 PolarHBondContact N-O 3.29Å; A530-E569 VanDerWaalsContact N-O 3.13Å; A530-F579 HydrophobicContact CB-CD1 4.03Å; A530-F579 HydrophobicContact CB-CE1 4.02Å
531M94.3Very high95.2Very high5 Ų521.6 Ų21.63%0.02513%0.127CC..THydrogen-bonded Turntrans-70.1-25-178.262.5-68.3-150.900113.3W300 Q494 P529 W533 G534 F579 T581W300-M531 HydrophobicContact CD2-CB 4.06Å; W300-M531 HydrophobicContact CD2-CG 3.9Å; W300-M531 HydrophobicContact CE3-CB 4.14Å; W300-M531 HydrophobicContact CE3-CG 4.29Å; W300-M531 HydrophobicContact CG-CB 4.49Å; W300-M531 HydrophobicContact CG-CG 4.42Å; W300-M531 HydrophobicContact CH2-CG 4.08Å; W300-M531 HydrophobicContact CZ2-CG 3.67Å; W300-M531 HydrophobicContact CZ3-CB 4.41Å; W300-M531 HydrophobicContact CZ3-CG 4.38Å; Q494-M531 VanDerWaalsContact OE1-CE 3.28Å; P529-M531 VanDerWaalsContact C-N 3.28Å; P529-M531 HydrophobicContact CB-CE 3.51Å; P529-M531 HydrophobicContact CB-SD 3.25Å; P529-M531 WeakPolarHBondContact CB-SD 3.41Å; P529-M531 HydrophobicContact CG-CE 4.33Å; P529-M531 PolarHBondContact O-N 3.07Å; M531-W533 PolarHBondContact O-N 2.86Å; M531-G534 PolarHBondContact O-N 3.26Å; M531-G534 VanDerWaalsContact O-N 3.12Å; M531-F579 HydrophobicContact CE-CZ 4.49Å; M531-F579 HydrophobicContact SD-CE1 4.14Å; M531-F579 HydrophobicContact SD-CZ 4.19Å; M531-T581 HydrophobicContact CB-CG2 4.08Å; M531-T581 HydrophobicContact CE-CG2 3.52Å; M531-T581 HydrophobicContact CG-CG2 3.83Å; M531-T581 HydrophobicContact SD-CG2 3.48Å; M531-T581 WeakPolarHBondContact SD-CG2 3.35Å
532T95.5Very high95.1Very high2 Ų222.5 Ų22.51%0.01213%0.131CC..Hα-helixtrans-57-46.5-171.4-630000113.2Q494 A495 T524 P529 A530 G534 M535 F536Q494-T532 WeakPolarHBondContact CA-OG1 3.44Å; Q494-T532 WeakPolarHBondContact CB-OG1 3.5Å; A495-T532 HydrophobicContact CB-CG2 4.07Å; A495-T532 PolarHBondContact N-OG1 3.3Å; T524-T532 HydrophobicContact CG2-CG2 3.55Å; P529-T532 WeakPolarHBondContact O-CB 3.41Å; P529-T532 PolarHBondContact O-N 2.94Å; P529-T532 PolarHBondContact O-OG1 2.88Å; P529-T532 VanDerWaalsContact O-OG1 3.12Å; A530-T532 VanDerWaalsContact C-N 3.29Å; A530-T532 PolarHBondContact O-N 2.86Å; T532-G534 PolarHBondContact O-N 2.75Å; T532-M535 PolarHBondContact O-N 3.02Å; T532-M535 VanDerWaalsContact O-N 3.09Å; T532-F536 HydrophobicContact CG2-CD2 4.01Å; T532-F536 HydrophobicContact CG2-CE2 3.78Å; T532-F536 WeakPolarHBondContact O-CD2 3.47Å; T532-F536 PolarHBondContact O-N 2.67Å
533W96.3Very high95.1Very high12 Ų1219.4 Ų19.45%0.04511%0.109CC..Hα-helixtrans-65.9-27-177.3-60.5115.7000113E521 T524 M531 F536 A537 L552 K555E521-W533 HydrophobicContact CG-CZ3 4.28Å; T524-W533 HydrophobicContact CG2-CH2 4.2Å; T524-W533 HydrophobicContact CG2-CZ2 4.42Å; M531-W533 PolarHBondContact O-N 2.86Å; W533-F536 HydrophobicContact CE3-CD2 4.25Å; W533-F536 HydrophobicContact CZ3-CD2 4.4Å; W533-A537 WeakPolarHBondContact O-CB 3.35Å; W533-A537 PolarHBondContact O-N 2.86Å; W533-L552 HydrophobicContact CE3-CD2 3.49Å; W533-L552 VanDerWaalsContact CE3-CD2 3.49Å; W533-L552 HydrophobicContact CZ3-CD2 3.82Å; W533-K555 HydrophobicContact CD2-CD 3.7Å; W533-K555 HydrophobicContact CE3-CD 3.95Å; W533-K555 HydrophobicContact CG-CB 4.27Å; W533-K555 HydrophobicContact CG-CD 4.17Å; W533-K555 HydrophobicContact CH2-CD 4.46Å; W533-K555 HydrophobicContact CZ2-CD 4.24Å; W533-K555 HydrophobicContact CZ3-CD 4.31Å
534G96.6Very high95.1Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-61.9-41.2172.400000112.2M531 T532 A537 I538M531-G534 PolarHBondContact O-N 3.26Å; M531-G534 VanDerWaalsContact O-N 3.12Å; T532-G534 PolarHBondContact O-N 2.75Å; G534-A537 WeakPolarHBondContact O-CB 3.37Å; G534-A537 PolarHBondContact O-N 2.87Å; G534-I538 WeakPolarHBondContact O-CG1 3.45Å; G534-I538 PolarHBondContact O-N 2.79Å
535M97.6Very high95.1Very high0 Ų022.8 Ų22.80%014%0.136CC..Hα-helixtrans-70.2-40179.9-66.7-54.1107.900112.9W300 A495 V498 M499 Y502 T532 A537 I538 G539 Q588W300-M535 HydrophobicContact CE3-CE 4.24Å; W300-M535 HydrophobicContact CH2-CG 3.66Å; W300-M535 HydrophobicContact CH2-SD 4.35Å; W300-M535 HydrophobicContact CZ3-CE 3.69Å; W300-M535 HydrophobicContact CZ3-CG 3.44Å; W300-M535 VanDerWaalsContact CZ3-CG 3.44Å; W300-M535 HydrophobicContact CZ3-SD 3.65Å; A495-M535 HydrophobicContact CB-CB 4.1Å; A495-M535 HydrophobicContact CB-CG 4.22Å; V498-M535 HydrophobicContact CG2-CB 4.43Å; M499-M535 HydrophobicContact CG-CG 4.28Å; Y502-M535 HydrophobicContact CD1-CE 4.42Å; Y502-M535 HydrophobicContact CD1-SD 3.81Å; Y502-M535 HydrophobicContact CE1-CE 4.13Å; Y502-M535 HydrophobicContact CE1-SD 4.03Å; T532-M535 PolarHBondContact O-N 3.02Å; T532-M535 VanDerWaalsContact O-N 3.09Å; M535-A537 VanDerWaalsContact C-N 3.33Å; M535-I538 HydrophobicContact CE-CD1 3.53Å; M535-I538 PolarHBondContact O-N 2.99Å; M535-I538 HydrophobicContact SD-CD1 4.13Å; M535-G539 PolarHBondContact O-N 2.85Å; M535-Q588 HydrophobicContact CE-CB 4.02Å
536F98.2Very high95.2Very high1 Ų121.7 Ų21.70%0.00413%0.132CC..Hα-helixtrans-61.4-43.6170.8-78.2-81.9000111.4V498 L517 E521 T524 T532 W533 I538 G539 W540 L552V498-F536 HydrophobicContact CB-CE1 4.33Å; V498-F536 HydrophobicContact CB-CZ 4.44Å; V498-F536 HydrophobicContact CG1-CD1 4.1Å; V498-F536 HydrophobicContact CG1-CE1 3.46Å; V498-F536 VanDerWaalsContact CG1-CE1 3.46Å; V498-F536 HydrophobicContact CG1-CE2 4.48Å; V498-F536 HydrophobicContact CG1-CZ 3.68Å; V498-F536 HydrophobicContact CG2-CD2 4.43Å; V498-F536 HydrophobicContact CG2-CE1 4.44Å; V498-F536 HydrophobicContact CG2-CE2 4.11Å; V498-F536 HydrophobicContact CG2-CZ 4.12Å; L517-F536 HydrophobicContact CD2-CD1 3.84Å; L517-F536 HydrophobicContact CD2-CE1 4.39Å; E521-F536 HydrophobicContact CB-CD1 3.77Å; E521-F536 HydrophobicContact CB-CE1 3.47Å; E521-F536 VanDerWaalsContact CB-CE1 3.47Å; E521-F536 HydrophobicContact CB-CZ 4.19Å; E521-F536 HydrophobicContact CG-CD1 4.09Å; E521-F536 HydrophobicContact CG-CE1 4.18Å; E521-F536 VanDerWaalsContact N-CE1 3.27Å; T524-F536 HydrophobicContact CG2-CE2 4.22Å; T524-F536 WeakPolarHBondContact OG1-CZ 3.43Å; T532-F536 HydrophobicContact CG2-CD2 4.01Å; T532-F536 HydrophobicContact CG2-CE2 3.78Å; T532-F536 WeakPolarHBondContact O-CD2 3.47Å; T532-F536 PolarHBondContact O-N 2.67Å; W533-F536 HydrophobicContact CE3-CD2 4.25Å; W533-F536 HydrophobicContact CZ3-CD2 4.4Å; F536-I538 VanDerWaalsContact C-N 3.33Å; F536-I538 PolarHBondContact O-N 2.86Å; F536-G539 PolarHBondContact O-N 2.86Å; F536-G539 VanDerWaalsContact O-N 3.15Å; F536-W540 PolarHBondContact O-N 2.97Å; F536-L552 HydrophobicContact CB-CD1 3.62Å
537A98Very high95.4Very high0 Ų023.7 Ų23.70%013%0.134CC..Hα-helixtrans-59.1-44.8177.900000111.6W533 G534 M535 G539 W540 L541 A549 L552 L553 A589W533-A537 WeakPolarHBondContact O-CB 3.35Å; W533-A537 PolarHBondContact O-N 2.86Å; G534-A537 WeakPolarHBondContact O-CB 3.37Å; G534-A537 PolarHBondContact O-N 2.87Å; M535-A537 VanDerWaalsContact C-N 3.33Å; A537-G539 PolarHBondContact O-N 2.87Å; A537-W540 PolarHBondContact O-N 2.78Å; A537-L541 WeakPolarHBondContact O-CD1 3.3Å; A537-L541 VanDerWaalsContact O-CG 3.24Å; A537-L541 WeakPolarHBondContact O-CG 3.44Å; A537-L541 PolarHBondContact O-N 3.2Å; A537-A549 HydrophobicContact CB-CB 4.09Å; A537-A549 VanDerWaalsContact O-CB 3.31Å; A537-A549 WeakPolarHBondContact O-CB 3.14Å; A537-L552 HydrophobicContact CB-CB 4.27Å; A537-L553 HydrophobicContact CB-CD1 4.36Å; A537-L553 HydrophobicContact CB-CD2 3.98Å; A537-L553 HydrophobicContact CB-CG 3.84Å; A537-A589 HydrophobicContact CB-CB 4.34Å
538I98.4Very high95.9Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-59.9-46.2174.4-64.7168.9000110.9Y502 G534 M535 F536 W540 L541 E542 Q588 A589 R598Y502-I538 HydrophobicContact CD1-CB 4.43Å; Y502-I538 HydrophobicContact CD1-CD1 3.51Å; Y502-I538 HydrophobicContact CD1-CG2 3.86Å; Y502-I538 HydrophobicContact CE1-CD1 3.45Å; Y502-I538 VanDerWaalsContact CE1-CD1 3.45Å; Y502-I538 HydrophobicContact CG-CD1 4.46Å; Y502-I538 HydrophobicContact CG-CG2 3.85Å; G534-I538 WeakPolarHBondContact O-CG1 3.45Å; G534-I538 PolarHBondContact O-N 2.79Å; M535-I538 HydrophobicContact CE-CD1 3.53Å; M535-I538 PolarHBondContact O-N 2.99Å; M535-I538 HydrophobicContact SD-CD1 4.13Å; F536-I538 VanDerWaalsContact C-N 3.33Å; F536-I538 PolarHBondContact O-N 2.86Å; I538-W540 VanDerWaalsContact C-N 3.33Å; I538-W540 PolarHBondContact O-N 2.76Å; I538-L541 WeakPolarHBondContact O-CB 3.36Å; I538-L541 PolarHBondContact O-N 3.41Å; I538-L541 VanDerWaalsContact O-N 3.13Å; I538-E542 WeakPolarHBondContact O-CG 3.37Å; I538-E542 PolarHBondContact O-N 2.79Å; I538-Q588 HydrophobicContact CD1-CB 4.03Å; I538-A589 HydrophobicContact CG1-CB 4.09Å; I538-R598 VanDerWaalsContact CG2-NH2 3.29Å
539G98.2Very high96.3Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-59-41.1178.800000113.6R513 L517 M535 F536 A537 E542 L543R513-G539 VanDerWaalsContact NH2-CA 3.28Å; L517-G539 VanDerWaalsContact CD1-C 3.43Å; L517-G539 WeakPolarHBondContact CD1-O 3.27Å; M535-G539 PolarHBondContact O-N 2.85Å; F536-G539 PolarHBondContact O-N 2.86Å; F536-G539 VanDerWaalsContact O-N 3.15Å; A537-G539 PolarHBondContact O-N 2.87Å; G539-E542 WeakPolarHBondContact O-CB 3.47Å; G539-E542 PolarHBondContact O-N 3.33Å; G539-L543 PolarHBondContact O-N 3.38Å
540W98.5Very high96.5Very high3 Ų322 Ų221%0.01112%0.12CC..Hα-helixtrans-69.5-35.7174.9-73117.2000112.9R514 L517 E518 E521 F536 A537 I538 E542 L543 G544 E545 K548 A549R514-W540 HydrophobicContact CG-CH2 4.46Å; R514-W540 HydrophobicContact CG-CZ3 4.28Å; L517-W540 HydrophobicContact CB-CH2 4.12Å; L517-W540 HydrophobicContact CB-CZ2 3.77Å; L517-W540 HydrophobicContact CD1-CD2 4.06Å; L517-W540 HydrophobicContact CD1-CE3 4.18Å; L517-W540 HydrophobicContact CD1-CG 4.46Å; E518-W540 HydrophobicContact CG-CH2 3.56Å; E518-W540 HydrophobicContact CG-CZ2 4.11Å; E521-W540 PolarHBondContact OE2-NE1 2.8Å; F536-W540 PolarHBondContact O-N 2.97Å; A537-W540 PolarHBondContact O-N 2.78Å; I538-W540 VanDerWaalsContact C-N 3.33Å; I538-W540 PolarHBondContact O-N 2.76Å; W540-E542 VanDerWaalsContact C-N 3.33Å; W540-E542 PolarHBondContact O-N 3.48Å; W540-L543 HydrophobicContact CE3-CD1 4.04Å; W540-L543 HydrophobicContact CZ3-CD1 4.05Å; W540-L543 CarbonylContact O-C 3.54Å; W540-L543 PolarHBondContact O-N 3.3Å; W540-L543 VanDerWaalsContact O-N 3.12Å; W540-G544 PolarHBondContact O-N 3.42Å; W540-E545 HydrophobicContact CB-CB 4.13Å; W540-E545 HydrophobicContact CE3-CB 3.9Å; W540-E545 HydrophobicContact CE3-CG 3.87Å; W540-E545 HydrophobicContact CZ3-CG 4.34Å; W540-E545 WeakPolarHBondContact O-CB 3.03Å; W540-E545 PolarHBondContact O-N 2.76Å; W540-K548 HydrophobicContact CB-CB 4.1Å; W540-K548 HydrophobicContact CD2-CB 4.03Å; W540-K548 HydrophobicContact CD2-CD 3.6Å; W540-K548 HydrophobicContact CD2-CG 4.47Å; W540-K548 HydrophobicContact CE3-CD 3.53Å; W540-K548 HydrophobicContact CG-CB 3.81Å; W540-K548 HydrophobicContact CG-CD 4.3Å; W540-K548 HydrophobicContact CH2-CD 3.84Å; W540-K548 HydrophobicContact CZ2-CD 3.9Å; W540-K548 HydrophobicContact CZ3-CD 3.66Å; W540-K548 VanDerWaalsContact CZ3-NZ 3.3Å; W540-A549 HydrophobicContact CB-CB 4.13Å
541L98.1Very high96.7Very high11 Ų1127.9 Ų27.96%0.05814%0.142CC..Hα-helixtrans-63.9-37.7173.9-69.4162.6000111.7A537 I538 L543 G544 A546 A549 Y594 L609A537-L541 WeakPolarHBondContact O-CD1 3.3Å; A537-L541 VanDerWaalsContact O-CG 3.24Å; A537-L541 WeakPolarHBondContact O-CG 3.44Å; A537-L541 PolarHBondContact O-N 3.2Å; I538-L541 WeakPolarHBondContact O-CB 3.36Å; I538-L541 PolarHBondContact O-N 3.41Å; I538-L541 VanDerWaalsContact O-N 3.13Å; L541-L543 PolarHBondContact O-N 3.18Å; L541-G544 PolarHBondContact O-N 3.36Å; L541-A546 HydrophobicContact CD2-CB 4.33Å; L541-A549 HydrophobicContact CD1-CB 4.09Å; L541-A549 HydrophobicContact CD2-CB 3.86Å; L541-A549 HydrophobicContact CG-CB 3.55Å; L541-Y594 HydrophobicContact CD1-CD1 3.68Å; L541-Y594 HydrophobicContact CD1-CE1 3.95Å; L541-Y594 HydrophobicContact CD2-CD1 4.26Å; L541-L609 HydrophobicContact CB-CD2 4.38Å; L541-L609 HydrophobicContact CD2-CB 4.28Å; L541-L609 HydrophobicContact CD2-CD2 3.75Å; L541-L609 HydrophobicContact CD2-CG 3.94Å; L541-L609 WeakPolarHBondContact O-CD2 3.46Å
542E96.9Very high96.8Very high71 Ų7127.7 Ų27.733%0.33214%0.141SC..Hα-helixtrans-57.8-29.9173.2-69.2172.4151.300112.6R513 I538 G539 W540 R598R513-E542 IonicContact CZ-OE2 2.63Å; R513-E542 IonicContact NE-OE2 3.29Å; R513-E542 PolarHBondContact NE-OE2 3.49Å; R513-E542 IonicContact NH2-OE2 2.72Å; R513-E542 PolarHBondContact NH2-OE2 2.89Å; I538-E542 WeakPolarHBondContact O-CG 3.37Å; I538-E542 PolarHBondContact O-N 2.79Å; G539-E542 WeakPolarHBondContact O-CB 3.47Å; G539-E542 PolarHBondContact O-N 3.33Å; W540-E542 VanDerWaalsContact C-N 3.33Å; W540-E542 PolarHBondContact O-N 3.48Å; E542-R598 IonicContact OE1-CZ 3.87Å; E542-R598 IonicContact OE1-NE 3.72Å; E542-R598 PolarHBondContact OE1-NE 3.03Å; E542-R598 IonicContact OE1-NH2 3.78Å; E542-R598 PolarHBondContact OE1-NH2 2.79Å
543L97.6Very high96.6Very high34 Ų3427.7 Ų27.718%0.17814%0.141CC..THydrogen-bonded Turntrans-93.62.4179.9-63.6178.5000114.1P510 R513 R514 L517 G539 W540 L541 E545P510-L543 HydrophobicContact CB-CD2 3.99Å; R513-L543 HydrophobicContact CB-CD2 4.2Å; R513-L543 HydrophobicContact CG-CD1 4.32Å; R513-L543 HydrophobicContact CG-CD2 4.06Å; R513-L543 HydrophobicContact CG-CG 4.23Å; R514-L543 HydrophobicContact CB-CD1 3.72Å; R514-L543 HydrophobicContact CG-CD1 4.26Å; L517-L543 HydrophobicContact CD1-CD1 3.74Å; G539-L543 PolarHBondContact O-N 3.38Å; W540-L543 HydrophobicContact CE3-CD1 4.04Å; W540-L543 HydrophobicContact CZ3-CD1 4.05Å; W540-L543 CarbonylContact O-C 3.54Å; W540-L543 PolarHBondContact O-N 3.3Å; W540-L543 VanDerWaalsContact O-N 3.12Å; L541-L543 PolarHBondContact O-N 3.18Å; L543-E545 HydrophobicContact CB-CG 4.22Å
544G96.7Very high96.4Very high52 Ų5231.4 Ų31.454%0.53616%0.159SC..THydrogen-bonded Turntrans82.69.4-178.100000115W540 L541 A546W540-G544 PolarHBondContact O-N 3.42Å; L541-G544 PolarHBondContact O-N 3.36Å; G544-A546 PolarHBondContact O-N 3.16Å
545E97.5Very high96.2Very high59 Ų5935 Ų3528%0.27617%0.174SC..  trans-97.162.5-170.7-61.9-84-168.800111.6R514 W540 L543 E547 K548 A549R514-E545 IonicContact CZ-OE1 3.86Å; R514-E545 VanDerWaalsContact CZ-OE1 3.28Å; R514-E545 IonicContact NH1-OE1 3.15Å; R514-E545 PolarHBondContact NH1-OE1 2.87Å; R514-E545 IonicContact NH2-OE1 3.77Å; R514-E545 PolarHBondContact NH2-OE1 2.8Å; W540-E545 HydrophobicContact CB-CB 4.13Å; W540-E545 HydrophobicContact CE3-CB 3.9Å; W540-E545 HydrophobicContact CE3-CG 3.87Å; W540-E545 HydrophobicContact CZ3-CG 4.34Å; W540-E545 WeakPolarHBondContact O-CB 3.03Å; W540-E545 PolarHBondContact O-N 2.76Å; L543-E545 HydrophobicContact CB-CG 4.22Å; E545-E547 VanDerWaalsContact C-N 3.29Å; E545-E547 PolarHBondContact O-N 2.86Å; E545-K548 HydrophobicContact CB-CB 4.19Å; E545-K548 HydrophobicContact CB-CD 4.15Å; E545-K548 HydrophobicContact CB-CG 4.33Å; E545-K548 HydrophobicContact CG-CD 4.45Å; E545-K548 PolarHBondContact O-N 2.79Å; E545-K548 VanDerWaalsContact O-N 3.13Å; E545-A549 PolarHBondContact O-N 2.85Å
546A95.9Very high95.9Very high17 Ų1735 Ų3514%0.1417%0.174CC..Hα-helixtrans-58.4-35.9-173.200000113.9L541 G544 A549 Q550 L609L541-A546 HydrophobicContact CD2-CB 4.33Å; G544-A546 PolarHBondContact O-N 3.16Å; A546-A549 PolarHBondContact O-N 3.13Å; A546-Q550 WeakPolarHBondContact O-CB 3.46Å; A546-Q550 PolarHBondContact O-N 2.92Å; A546-L609 HydrophobicContact CB-CD1 4.26Å; A546-L609 HydrophobicContact CB-CD2 4.14Å; A546-L609 HydrophobicContact CB-CG 4.04Å
547E95.3Very high95.7Very high129 Ų12937.1 Ų37.160%0.60318%0.184SC*.Hα-helixtrans-67.5-36.9178-66-175.7-176.200113E545 R551E545-E547 VanDerWaalsContact C-N 3.29Å; E545-E547 PolarHBondContact O-N 2.86Å; E547-R551 WeakPolarHBondContact O-CG 3.4Å; E547-R551 PolarHBondContact O-N 3.4Å; E547-R551 PolarHBondContact O-NH1 3.41Å
548K96.3Very high95.5Very high49 Ų4943.7 Ų43.721%0.21321%0.212CC..Hα-helixtrans-64.9-46.2175.1-74.2-174.1178.2-166.90109.9E518 W540 E545 Q550 R551 L552E518-K548 IonicContact OE1-NZ 3.29Å; W540-K548 HydrophobicContact CB-CB 4.1Å; W540-K548 HydrophobicContact CD2-CB 4.03Å; W540-K548 HydrophobicContact CD2-CD 3.6Å; W540-K548 HydrophobicContact CD2-CG 4.47Å; W540-K548 HydrophobicContact CE3-CD 3.53Å; W540-K548 HydrophobicContact CG-CB 3.81Å; W540-K548 HydrophobicContact CG-CD 4.3Å; W540-K548 HydrophobicContact CH2-CD 3.84Å; W540-K548 HydrophobicContact CZ2-CD 3.9Å; W540-K548 HydrophobicContact CZ3-CD 3.66Å; W540-K548 VanDerWaalsContact CZ3-NZ 3.3Å; E545-K548 HydrophobicContact CB-CB 4.19Å; E545-K548 HydrophobicContact CB-CD 4.15Å; E545-K548 HydrophobicContact CB-CG 4.33Å; E545-K548 HydrophobicContact CG-CD 4.45Å; E545-K548 PolarHBondContact O-N 2.79Å; E545-K548 VanDerWaalsContact O-N 3.13Å; K548-Q550 VanDerWaalsContact C-N 3.35Å; K548-Q550 PolarHBondContact O-N 2.86Å; K548-R551 VanDerWaalsContact CG-NH2 3.3Å; K548-R551 PolarHBondContact O-N 3.43Å; K548-L552 WeakPolarHBondContact O-CG 3.24Å; K548-L552 PolarHBondContact O-N 2.9Å
549A96.6Very high95.4Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-59.5-44.1177.700000112.6A537 W540 L541 E545 A546 R551 L552 L553A537-A549 HydrophobicContact CB-CB 4.09Å; A537-A549 VanDerWaalsContact O-CB 3.31Å; A537-A549 WeakPolarHBondContact O-CB 3.14Å; W540-A549 HydrophobicContact CB-CB 4.13Å; L541-A549 HydrophobicContact CD1-CB 4.09Å; L541-A549 HydrophobicContact CD2-CB 3.86Å; L541-A549 HydrophobicContact CG-CB 3.55Å; E545-A549 PolarHBondContact O-N 2.85Å; A546-A549 PolarHBondContact O-N 3.13Å; A549-R551 PolarHBondContact O-N 3.3Å; A549-L552 WeakPolarHBondContact O-CB 3.42Å; A549-L552 PolarHBondContact O-N 2.63Å; A549-L552 VanDerWaalsContact O-N 3.12Å; A549-L553 PolarHBondContact O-N 2.85Å; A549-L553 VanDerWaalsContact O-N 3.08Å
550Q94.2Very high95.3Very high15 Ų1545.2 Ų45.27%0.0722%0.22CC..Hα-helixtrans-58.7-46.3178.8-178.260.429.500112.3A546 K548 L552 L553 E554 Y594 P611 E613A546-Q550 WeakPolarHBondContact O-CB 3.46Å; A546-Q550 PolarHBondContact O-N 2.92Å; K548-Q550 VanDerWaalsContact C-N 3.35Å; K548-Q550 PolarHBondContact O-N 2.86Å; Q550-L552 PolarHBondContact O-N 2.55Å; Q550-L553 PolarHBondContact O-N 3.36Å; Q550-L553 VanDerWaalsContact O-N 3.13Å; Q550-E554 WeakPolarHBondContact O-CG 3.22Å; Q550-E554 PolarHBondContact O-N 3.04Å; Q550-Y594 PolarHBondContact OE1-OH 3.24Å; Q550-P611 HydrophobicContact CB-CB 4.26Å; Q550-P611 HydrophobicContact CG-CB 4.45Å; Q550-E613 PolarHBondContact NE2-OE1 3.12Å; Q550-E613 PolarHBondContact NE2-OE2 3.06Å
551R94.5Very high95.1Very high125 Ų12547 Ų4747%0.47223%0.228SC..Hα-helixtrans-60.2-29177.7-72.3-171-63.8-90.77113.3E547 K548 A549E547-R551 WeakPolarHBondContact O-CG 3.4Å; E547-R551 PolarHBondContact O-N 3.4Å; E547-R551 PolarHBondContact O-NH1 3.41Å; K548-R551 VanDerWaalsContact CG-NH2 3.3Å; K548-R551 PolarHBondContact O-N 3.43Å; A549-R551 PolarHBondContact O-N 3.3Å
552L95Very high94.8Very high2 Ų248.9 Ų48.91%0.0125%0.251CS..Hα-helixtrans-77.9-39.7177.5-63.4163.2000111.1E521 W533 F536 A537 K548 A549 Q550 E554 K555E521-L552 HydrophobicContact CG-CD2 4.3Å; W533-L552 HydrophobicContact CE3-CD2 3.49Å; W533-L552 VanDerWaalsContact CE3-CD2 3.49Å; W533-L552 HydrophobicContact CZ3-CD2 3.82Å; F536-L552 HydrophobicContact CB-CD1 3.62Å; A537-L552 HydrophobicContact CB-CB 4.27Å; K548-L552 WeakPolarHBondContact O-CG 3.24Å; K548-L552 PolarHBondContact O-N 2.9Å; A549-L552 WeakPolarHBondContact O-CB 3.42Å; A549-L552 PolarHBondContact O-N 2.63Å; A549-L552 VanDerWaalsContact O-N 3.12Å; Q550-L552 PolarHBondContact O-N 2.55Å; L552-E554 VanDerWaalsContact C-N 3.29Å; L552-E554 PolarHBondContact O-N 3.49Å; L552-K555 HydrophobicContact CD2-CD 4.33Å; L552-K555 VanDerWaalsContact O-CB 3.25Å; L552-K555 WeakPolarHBondContact O-CB 3.39Å; L552-K555 PolarHBondContact O-N 2.92Å
553L91.9Very high94.6Very high1 Ų147.2 Ų47.21%0.00525%0.246CC..Hα-helixtrans-65.9-33.1174.9-68.1175.3000112.7A537 A549 Q550 K555 C556 F586 A589 Y594A537-L553 HydrophobicContact CB-CD1 4.36Å; A537-L553 HydrophobicContact CB-CD2 3.98Å; A537-L553 HydrophobicContact CB-CG 3.84Å; A549-L553 PolarHBondContact O-N 2.85Å; A549-L553 VanDerWaalsContact O-N 3.08Å; Q550-L553 PolarHBondContact O-N 3.36Å; Q550-L553 VanDerWaalsContact O-N 3.13Å; L553-K555 PolarHBondContact O-N 3.11Å; L553-C556 WeakPolarHBondContact O-CB 3.38Å; L553-C556 PolarHBondContact O-N 2.9Å; L553-F586 HydrophobicContact CD2-CD2 3.93Å; L553-F586 HydrophobicContact CD2-CE2 4.07Å; L553-A589 HydrophobicContact CD1-CB 4.22Å; L553-A589 HydrophobicContact CD2-CB 3.5Å; L553-A589 HydrophobicContact CG-CB 4.41Å; L553-Y594 HydrophobicContact CD1-CE1 3.91Å; L553-Y594 WeakPolarHBondContact CD1-OH 3.36Å
554E92.2Very high94.5Very high91 Ų9145.6 Ų45.643%0.42524%0.237SC..Hα-helixtrans-59.8-29.4171.1-73.5170.1-174.100112.7Q550 L552 C556 F557Q550-E554 WeakPolarHBondContact O-CG 3.22Å; Q550-E554 PolarHBondContact O-N 3.04Å; L552-E554 VanDerWaalsContact C-N 3.29Å; L552-E554 PolarHBondContact O-N 3.49Å; E554-C556 VanDerWaalsContact C-N 3.33Å; E554-F557 HydrophobicContact CG-CE2 4.31Å; E554-F557 PolarHBondContact O-N 2.87Å
555K91.9Very high94.5Very high76 Ų7644.5 Ų44.533%0.3322%0.219SC..Hα-helixtrans-65.2-38.6174.3-60.2178.3-178.6177.70111.2W533 L552 L553 F557 K558W533-K555 HydrophobicContact CD2-CD 3.7Å; W533-K555 HydrophobicContact CE3-CD 3.95Å; W533-K555 HydrophobicContact CG-CB 4.27Å; W533-K555 HydrophobicContact CG-CD 4.17Å; W533-K555 HydrophobicContact CH2-CD 4.46Å; W533-K555 HydrophobicContact CZ2-CD 4.24Å; W533-K555 HydrophobicContact CZ3-CD 4.31Å; L552-K555 HydrophobicContact CD2-CD 4.33Å; L552-K555 VanDerWaalsContact O-CB 3.25Å; L552-K555 WeakPolarHBondContact O-CB 3.39Å; L552-K555 PolarHBondContact O-N 2.92Å; L553-K555 PolarHBondContact O-N 3.11Å; K555-F557 PolarHBondContact O-N 2.79Å; K555-K558 PolarHBondContact O-N 2.86Å
556C92.5Very high94.5Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-63-25.8-179.3-560000112.8L553 E554 K558 N559 W567 F586L553-C556 WeakPolarHBondContact O-CB 3.38Å; L553-C556 PolarHBondContact O-N 2.9Å; E554-C556 VanDerWaalsContact C-N 3.33Å; C556-K558 PolarHBondContact O-N 2.91Å; C556-K558 VanDerWaalsContact O-N 3.14Å; C556-N559 WeakPolarHBondContact O-CB 3.29Å; C556-N559 PolarHBondContact O-N 2.84Å; C556-N559 PolarHBondContact O-OD1 3.38Å; C556-W567 HydrophobicContact CB-CH2 4.04Å; C556-W567 HydrophobicContact CB-CZ3 4.4Å; C556-F586 HydrophobicContact CB-CD2 3.76Å; C556-F586 HydrophobicContact CB-CE2 4.2Å
557F94Very high94.5Very high45 Ų4540.9 Ų40.920%0.19720%0.199CC..G310 helixtrans-62.9-21.1178.7-62.6-33.8000113.4T246 L247 A250 E554 K555 N559 I560 F586T246-F557 HydrophobicContact CG2-CD1 4.31Å; T246-F557 HydrophobicContact CG2-CD2 4.11Å; T246-F557 HydrophobicContact CG2-CE1 4.29Å; T246-F557 HydrophobicContact CG2-CE2 4.1Å; T246-F557 HydrophobicContact CG2-CG 4.23Å; T246-F557 HydrophobicContact CG2-CZ 4.2Å; L247-F557 HydrophobicContact CB-CZ 4.3Å; L247-F557 HydrophobicContact CD1-CE1 4.41Å; L247-F557 HydrophobicContact CD1-CZ 4.35Å; A250-F557 HydrophobicContact CB-CD1 4.42Å; A250-F557 HydrophobicContact CB-CE1 4.08Å; E554-F557 HydrophobicContact CG-CE2 4.31Å; E554-F557 PolarHBondContact O-N 2.87Å; K555-F557 PolarHBondContact O-N 2.79Å; F557-N559 VanDerWaalsContact C-N 3.26Å; F557-N559 PolarHBondContact O-N 3.46Å; F557-I560 HydrophobicContact CD1-CD1 3.89Å; F557-I560 WeakPolarHBondContact O-CB 3.48Å; F557-I560 PolarHBondContact O-N 3.26Å; F557-F586 AromaticContact CE1-CE2 3.99Å; F557-F586 HydrophobicContact CE1-CE2 3.99Å; F557-F586 AromaticContact CE1-CZ 3.84Å; F557-F586 HydrophobicContact CE1-CZ 3.84Å
558K94.3Very high94.6Very high138 Ų13834.8 Ų34.860%0.617%0.17SC*.G310 helixtrans-70.6-22.9174.9-65-177.6179.8179.10113.3K555 C556 I560 Q561K555-K558 PolarHBondContact O-N 2.86Å; C556-K558 PolarHBondContact O-N 2.91Å; C556-K558 VanDerWaalsContact O-N 3.14Å; K558-I560 PolarHBondContact O-N 2.9Å; K558-Q561 PolarHBondContact O-NE2 2.83Å
559N95.8Very high94.6Very high5 Ų533.9 Ų33.93%0.02717%0.167CC..G310 helixtrans-75.4-14.6174.6-64.788.7000112.3A530 C556 F557 Q561 W567 S568 E569 S570 S571A530-N559 HydrophobicContact CB-CB 4.19Å; A530-N559 WeakPolarHBondContact CB-ND2 3.28Å; C556-N559 WeakPolarHBondContact O-CB 3.29Å; C556-N559 PolarHBondContact O-N 2.84Å; C556-N559 PolarHBondContact O-OD1 3.38Å; F557-N559 VanDerWaalsContact C-N 3.26Å; F557-N559 PolarHBondContact O-N 3.46Å; N559-Q561 PolarHBondContact O-N 3.14Å; N559-W567 HydrophobicContact CB-CD2 4.47Å; N559-W567 HydrophobicContact CB-CE3 3.94Å; N559-W567 HydrophobicContact CB-CZ3 4.28Å; N559-W567 CarbonylContact O-C 3.55Å; N559-W567 VanDerWaalsContact O-CA 3.3Å; N559-W567 WeakPolarHBondContact O-CA 3.31Å; N559-S568 WeakPolarHBondContact CB-O 3.47Å; N559-S568 PolarHBondContact ND2-O 3.35Å; N559-S568 PolarHBondContact O-N 3.2Å; N559-S568 PolarHBondContact O-OG 3.39Å; N559-E569 PolarHBondContact ND2-O 2.82Å; N559-S570 PolarHBondContact ND2-O 2.98Å; N559-S571 PolarHBondContact ND2-N 2.89Å
560I95.8Very high94.4Very high26 Ų2634.7 Ų34.713%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-84.3112.3-177.4-51-173.3000110A250 F557 K558 Q565 W567A250-I560 HydrophobicContact CB-CD1 3.51Å; F557-I560 HydrophobicContact CD1-CD1 3.89Å; F557-I560 WeakPolarHBondContact O-CB 3.48Å; F557-I560 PolarHBondContact O-N 3.26Å; K558-I560 PolarHBondContact O-N 2.9Å; I560-Q565 HydrophobicContact CG2-CB 4.2Å; I560-Q565 VanDerWaalsContact CG2-OE1 3.3Å; I560-W567 HydrophobicContact CD1-CZ2 3.8Å; I560-W567 HydrophobicContact CG1-CD2 4.33Å; I560-W567 HydrophobicContact CG1-CZ2 3.77Å
561Q94.8Very high94.3Very high40 Ų4035.6 Ų35.619%0.18718%0.18CC..EExtended strand (participates in β ladder)trans-91.9110.9177.8-50.8-56.8-32.200109.7F21 K558 N559 Q565 V566 S568F21-Q561 HydrophobicContact CB-CB 4.27Å; F21-Q561 HydrophobicContact CD1-CB 3.74Å; F21-Q561 HydrophobicContact CD1-CG 3.73Å; F21-Q561 HydrophobicContact CD2-CB 4.12Å; F21-Q561 HydrophobicContact CD2-CG 4.28Å; F21-Q561 HydrophobicContact CE1-CB 4.1Å; F21-Q561 HydrophobicContact CE1-CG 3.54Å; F21-Q561 HydrophobicContact CE2-CB 4.45Å; F21-Q561 HydrophobicContact CE2-CG 4.12Å; F21-Q561 HydrophobicContact CG-CB 3.77Å; F21-Q561 HydrophobicContact CG-CG 4.12Å; F21-Q561 HydrophobicContact CZ-CB 4.44Å; F21-Q561 HydrophobicContact CZ-CG 3.74Å; K558-Q561 PolarHBondContact O-NE2 2.83Å; N559-Q561 PolarHBondContact O-N 3.14Å; Q561-Q565 PolarHBondContact O-N 2.88Å; Q561-V566 WeakPolarHBondContact CA-O 3.23Å; Q561-V566 VanDerWaalsContact CB-O 3.29Å; Q561-V566 WeakPolarHBondContact CB-O 3.39Å; Q561-V566 PolarHBondContact N-O 3.43Å; Q561-V566 PolarHBondContact O-N 2.7Å; Q561-S568 PolarHBondContact NE2-OG 3.11Å
562G90.8Very high94.2Very high51 Ų5135 Ų3553%0.52619%0.187SC..THydrogen-bonded Turntrans-68159173.900000112.1
563P92.8Very high94Very high36 Ų3635.3 Ų35.323%0.23419%0.19CC..THydrogen-bonded Turncis-91.5-12.94.730-24.9000113.9T12 Q565T12-P563 HydrophobicContact CG2-CB 4.27Å; T12-P563 HydrophobicContact CG2-CG 3.55Å; P563-Q565 PolarHBondContact O-N 3.05Å
564F96.8Very high94.1Very high0 Ų037.7 Ų37.70%021%0.207CC..THydrogen-bonded Turntrans-94.815.5-169.5-54.7-67.4000114.7F10 T12 L15 P16 P23 L77 F84 Y257 V566F10-F564 HydrophobicContact CB-CD1 4.13Å; T12-F564 HydrophobicContact CG2-CE1 4.28Å; T12-F564 HydrophobicContact CG2-CE2 4.33Å; T12-F564 HydrophobicContact CG2-CZ 3.68Å; L15-F564 HydrophobicContact CD2-CE2 4.42Å; P16-F564 HydrophobicContact CG-CD2 4.35Å; P16-F564 HydrophobicContact CG-CE2 4.32Å; P23-F564 HydrophobicContact CB-CB 4Å; P23-F564 HydrophobicContact CB-CD2 4.35Å; P23-F564 HydrophobicContact CB-CG 4.09Å; P23-F564 VanDerWaalsContact CD-CD2 3.49Å; P23-F564 HydrophobicContact CG-CB 4.44Å; P23-F564 HydrophobicContact CG-CD1 4.35Å; P23-F564 HydrophobicContact CG-CD2 3.92Å; P23-F564 HydrophobicContact CG-CE2 4.2Å; P23-F564 HydrophobicContact CG-CG 3.98Å; L77-F564 HydrophobicContact CB-CD1 3.69Å; L77-F564 HydrophobicContact CB-CE1 4.19Å; L77-F564 HydrophobicContact CD2-CB 4.28Å; F84-F564 HydrophobicContact CE2-CE1 4.04Å; F84-F564 HydrophobicContact CE2-CE2 4.39Å; F84-F564 AromaticContact CE2-CZ 3.78Å; F84-F564 HydrophobicContact CE2-CZ 3.78Å; Y257-F564 WeakPolarHBondContact CE2-O 3.43Å; Y257-F564 PolarHBondContact OH-O 3.24Å; F564-V566 HydrophobicContact CB-CG2 4.38Å; F564-V566 PolarHBondContact O-N 2.78Å
565Q96.4Very high94.1Very high30 Ų3035.1 Ų35.114%0.1421%0.205CC..THydrogen-bonded Turntrans5930.2179.6-50.9-64.9-61.700114F10 Y257 I560 Q561 P563F10-Q565 HydrophobicContact CD1-CG 4.13Å; F10-Q565 HydrophobicContact CD2-CG 3.98Å; F10-Q565 HydrophobicContact CE1-CG 3.69Å; F10-Q565 HydrophobicContact CE2-CB 4Å; F10-Q565 HydrophobicContact CE2-CG 3.52Å; F10-Q565 HydrophobicContact CG-CG 4.27Å; F10-Q565 HydrophobicContact CZ-CB 4.24Å; F10-Q565 HydrophobicContact CZ-CG 3.38Å; Y257-Q565 WeakPolarHBondContact CE2-O 3.24Å; I560-Q565 HydrophobicContact CG2-CB 4.2Å; I560-Q565 VanDerWaalsContact CG2-OE1 3.3Å; Q561-Q565 PolarHBondContact O-N 2.88Å; P563-Q565 PolarHBondContact O-N 3.05Å
566V96.8Very high94.2Very high0 Ų031.7 Ų31.70%019%0.191CC..EExtended strand (participates in β ladder)trans-74.3136.3175.8178.20000108.5F21 Y257 Q561 F564 N578F21-V566 HydrophobicContact CD1-CG1 4.17Å; Y257-V566 HydrophobicContact CE2-CG2 4.4Å; Y257-V566 WeakPolarHBondContact OH-CG2 3.24Å; Q561-V566 WeakPolarHBondContact CA-O 3.23Å; Q561-V566 VanDerWaalsContact CB-O 3.29Å; Q561-V566 WeakPolarHBondContact CB-O 3.39Å; Q561-V566 PolarHBondContact N-O 3.43Å; Q561-V566 PolarHBondContact O-N 2.7Å; F564-V566 HydrophobicContact CB-CG2 4.38Å; F564-V566 PolarHBondContact O-N 2.78Å; V566-N578 HydrophobicContact CG1-CB 4.17Å
567W96.8Very high94.3Very high0 Ų031.8 Ų31.80%019%0.191CC..EExtended strand (participates in β ladder)trans-94.8141.2-179.6-74.843.3000112.4C254 A530 C556 N559 I560 V577 N578 F579 G582 M583 F586C254-W567 VanDerWaalsContact SG-CE2 3.55Å; C254-W567 WeakPolarHBondContact SG-CZ2 3.5Å; A530-W567 HydrophobicContact CB-CE3 4.29Å; A530-W567 HydrophobicContact CB-CZ3 4.28Å; C556-W567 HydrophobicContact CB-CH2 4.04Å; C556-W567 HydrophobicContact CB-CZ3 4.4Å; N559-W567 HydrophobicContact CB-CD2 4.47Å; N559-W567 HydrophobicContact CB-CE3 3.94Å; N559-W567 HydrophobicContact CB-CZ3 4.28Å; N559-W567 CarbonylContact O-C 3.55Å; N559-W567 VanDerWaalsContact O-CA 3.3Å; N559-W567 WeakPolarHBondContact O-CA 3.31Å; I560-W567 HydrophobicContact CD1-CZ2 3.8Å; I560-W567 HydrophobicContact CG1-CD2 4.33Å; I560-W567 HydrophobicContact CG1-CZ2 3.77Å; W567-V577 CarbonylContact O-C 3.56Å; W567-N578 WeakPolarHBondContact O-CA 3.48Å; W567-N578 PolarHBondContact O-N 3.15Å; W567-F579 HydrophobicContact CB-CB 4.32Å; W567-F579 PolarHBondContact O-N 3.14Å; W567-G582 WeakPolarHBondContact CZ3-O 3.45Å; W567-M583 HydrophobicContact CB-CE 3.66Å; W567-M583 HydrophobicContact CB-CG 4.07Å; W567-M583 HydrophobicContact CD2-CG 3.66Å; W567-M583 HydrophobicContact CE3-CG 4.26Å; W567-M583 HydrophobicContact CG-CE 3.72Å; W567-M583 HydrophobicContact CG-CG 3.55Å; W567-M583 HydrophobicContact CG-SD 4.45Å; W567-F586 HydrophobicContact CH2-CB 3.36Å; W567-F586 AromaticContact CH2-CD1 3.96Å; W567-F586 HydrophobicContact CH2-CD1 3.96Å; W567-F586 AromaticContact CH2-CD2 3.84Å; W567-F586 HydrophobicContact CH2-CD2 3.84Å; W567-F586 AromaticContact CH2-CG 3.45Å; W567-F586 HydrophobicContact CH2-CG 3.45Å; W567-F586 VanDerWaalsContact CH2-CG 3.45Å; W567-F586 HydrophobicContact CZ2-CB 4.14Å; W567-F586 AromaticContact CZ2-CD1 3.94Å; W567-F586 HydrophobicContact CZ2-CD1 3.94Å; W567-F586 HydrophobicContact CZ2-CD2 4.45Å; W567-F586 HydrophobicContact CZ2-CE1 4.45Å; W567-F586 AromaticContact CZ2-CG 3.92Å; W567-F586 HydrophobicContact CZ2-CG 3.92Å; W567-F586 HydrophobicContact CZ3-CB 3.97Å; W567-F586 HydrophobicContact CZ3-CG 4.49Å
568S96.3Very high94.4Very high0 Ų030 Ų300%018%0.184CC..BIsolated β-bridgetrans-98.5149.3162.557.30000111N559 Q561 S570 G573 A576N559-S568 WeakPolarHBondContact CB-O 3.47Å; N559-S568 PolarHBondContact ND2-O 3.35Å; N559-S568 PolarHBondContact O-N 3.2Å; N559-S568 PolarHBondContact O-OG 3.39Å; Q561-S568 PolarHBondContact NE2-OG 3.11Å; S568-S570 PolarHBondContact OG-O 3.15Å; S568-G573 WeakPolarHBondContact OG-CA 3.12Å; S568-A576 CarbonylContact C-O 3.48Å; S568-A576 WeakPolarHBondContact CA-O 3.31Å
569E95.6Very high94.5Very high30 Ų3023.4 Ų23.414%0.1416%0.155CC..SBendtrans-58.8-50.2175.8179-175.4172.900112.1Y289 A530 N559 G575 A576 F579Y289-E569 PolarHBondContact OH-OE1 3.09Å; Y289-E569 PolarHBondContact OH-OE2 3.22Å; A530-E569 WeakPolarHBondContact CB-O 3.47Å; A530-E569 PolarHBondContact N-O 3.29Å; A530-E569 VanDerWaalsContact N-O 3.13Å; N559-E569 PolarHBondContact ND2-O 2.82Å; E569-G575 WeakPolarHBondContact OE2-CA 3.26Å; E569-A576 HydrophobicContact CB-CB 4.26Å; E569-A576 PolarHBondContact N-O 3.49Å; E569-A576 PolarHBondContact OE2-N 3.4Å; E569-F579 HydrophobicContact CB-CD1 4.14Å; E569-F579 HydrophobicContact CB-CD2 4.03Å; E569-F579 HydrophobicContact CB-CE1 4.28Å; E569-F579 HydrophobicContact CB-CE2 4.16Å; E569-F579 HydrophobicContact CB-CG 4Å; E569-F579 HydrophobicContact CB-CZ 4.28Å; E569-F579 HydrophobicContact CG-CD1 4.45Å; E569-F579 HydrophobicContact CG-CD2 4.33Å; E569-F579 HydrophobicContact CG-CE1 4.08Å; E569-F579 HydrophobicContact CG-CE2 3.94Å; E569-F579 HydrophobicContact CG-CZ 3.8Å
570S93.9Very high94.6Very high18 Ų1823.2 Ų23.213%0.12615%0.154CC..SBendtrans-99153.5176.9-65.50000111.6N527 N559 S568 D572 G573 S574N527-S570 PolarHBondContact O-OG 2.86Å; N559-S570 PolarHBondContact ND2-O 2.98Å; S568-S570 PolarHBondContact OG-O 3.15Å; S570-D572 WeakPolarHBondContact CB-OD1 3.19Å; S570-D572 PolarHBondContact O-N 3.31Å; S570-G573 PolarHBondContact O-N 2.67Å; S570-S574 WeakPolarHBondContact CB-OG 3.48Å; S570-S574 PolarHBondContact N-O 2.89Å
571S91.8Very high94.7Very high33 Ų3322 Ų2223%0.23115%0.148CC..THydrogen-bonded Turntrans-70.5-10.2-174.972.60000114.5N559N559-S571 PolarHBondContact ND2-N 2.89Å
572D91.7Very high94.8Very high114 Ų11420 Ų2061%0.6114%0.139SC*.THydrogen-bonded Turntrans-93.81.8176.568.7-10.3000113.4S570 S574S570-D572 WeakPolarHBondContact CB-OD1 3.19Å; S570-D572 PolarHBondContact O-N 3.31Å; D572-S574 VanDerWaalsContact OD1-CB 3.25Å; D572-S574 WeakPolarHBondContact OD1-CB 3.28Å; D572-S574 PolarHBondContact OD1-N 3.41Å; D572-S574 PolarHBondContact OD1-OG 2.97Å; D572-S574 PolarHBondContact OD2-OG 3.48Å
573G92Very high95.2Very high8 Ų817.6 Ų17.68%0.08211%0.114CC..SBendtrans883.8-177.100000114.5R20 S568 S570R20-G573 PolarHBondContact NH2-O 3.37Å; S568-G573 WeakPolarHBondContact OG-CA 3.12Å; S570-G573 PolarHBondContact O-N 2.67Å
574S93.3Very high95.4Very high50 Ų5016 Ų1635%0.3510%0.103SC..  trans-88.3176.6173.873.80000112.6S570 D572S570-S574 WeakPolarHBondContact CB-OG 3.48Å; S570-S574 PolarHBondContact N-O 2.89Å; D572-S574 VanDerWaalsContact OD1-CB 3.25Å; D572-S574 WeakPolarHBondContact OD1-CB 3.28Å; D572-S574 PolarHBondContact OD1-N 3.41Å; D572-S574 PolarHBondContact OD1-OG 2.97Å; D572-S574 PolarHBondContact OD2-OG 3.48Å
575G92.9Very high95.4Very high38 Ų3816 Ų1639%0.39210%0.103SC..SBendtrans74.3-158.4-174.700000113.2E569E569-G575 WeakPolarHBondContact OE2-CA 3.26Å
576A93.8Very high95.5Very high4 Ų414.6 Ų14.63%0.03310%0.097CC..  trans-63.6145.9-179.100000112.3D288 Y289 S568 E569 F579D288-A576 HydrophobicContact CB-CB 4.44Å; D288-A576 WeakPolarHBondContact OD1-CA 3.46Å; Y289-A576 HydrophobicContact CD2-CB 4.02Å; Y289-A576 HydrophobicContact CE2-CB 3.55Å; S568-A576 CarbonylContact C-O 3.48Å; S568-A576 WeakPolarHBondContact CA-O 3.31Å; E569-A576 HydrophobicContact CB-CB 4.26Å; E569-A576 PolarHBondContact N-O 3.49Å; E569-A576 PolarHBondContact OE2-N 3.4Å; A576-F579 HydrophobicContact CB-CD2 3.94Å
577V94Very high95.5Very high1 Ų114.8 Ų14.81%0.00610%0.098CC..BIsolated β-bridgetrans-112.8154.6178.7-56.90000111.5R20 F21 N282 D288 W567 F579R20-V577 HydrophobicContact CB-CB 4.45Å; R20-V577 HydrophobicContact CB-CG1 3.95Å; R20-V577 HydrophobicContact CB-CG2 4.15Å; F21-V577 HydrophobicContact CD1-CB 4.49Å; F21-V577 HydrophobicContact CD1-CG1 4.24Å; F21-V577 HydrophobicContact CE1-CB 4.23Å; F21-V577 HydrophobicContact CE1-CG1 3.58Å; F21-V577 HydrophobicContact CZ-CG1 4.32Å; N282-V577 PolarHBondContact ND2-O 3.47Å; D288-V577 PolarHBondContact OD1-N 3.39Å; W567-V577 CarbonylContact O-C 3.56Å; V577-F579 PolarHBondContact O-N 3.23Å
578N95.9Very high95.6Very high8 Ų814.8 Ų14.84%0.04310%0.098CC..SBendtrans53.344.4-162.9-172.754.4000111.1P24 G278 V566 W567 L580P24-N578 HydrophobicContact CG-CB 3.82Å; P24-N578 WeakPolarHBondContact CG-OD1 3.25Å; G278-N578 CarbonylContact C-O 3.58Å; G278-N578 PolarHBondContact O-ND2 3.25Å; V566-N578 HydrophobicContact CG1-CB 4.17Å; W567-N578 WeakPolarHBondContact O-CA 3.48Å; W567-N578 PolarHBondContact O-N 3.15Å; N578-L580 PolarHBondContact O-N 2.92Å
579F97.6Very high95.6Very high0 Ų014.8 Ų14.80%010%0.098CC..  trans-69.289.6-171.7-171.9-120.8000111.7P277 Y289 P529 A530 M531 W567 E569 A576 V577 T581 G582 M583P277-F579 HydrophobicContact CB-CD2 4.18Å; P277-F579 HydrophobicContact CB-CE2 3.9Å; P277-F579 CarbonylContact O-C 3.48Å; P277-F579 WeakPolarHBondContact O-CA 3.48Å; Y289-F579 HydrophobicContact CE2-CE2 4.09Å; P529-F579 HydrophobicContact CB-CZ 4.47Å; A530-F579 HydrophobicContact CB-CD1 4.03Å; A530-F579 HydrophobicContact CB-CE1 4.02Å; M531-F579 HydrophobicContact CE-CZ 4.49Å; M531-F579 HydrophobicContact SD-CE1 4.14Å; M531-F579 HydrophobicContact SD-CZ 4.19Å; W567-F579 HydrophobicContact CB-CB 4.32Å; W567-F579 PolarHBondContact O-N 3.14Å; E569-F579 HydrophobicContact CB-CD1 4.14Å; E569-F579 HydrophobicContact CB-CD2 4.03Å; E569-F579 HydrophobicContact CB-CE1 4.28Å; E569-F579 HydrophobicContact CB-CE2 4.16Å; E569-F579 HydrophobicContact CB-CG 4Å; E569-F579 HydrophobicContact CB-CZ 4.28Å; E569-F579 HydrophobicContact CG-CD1 4.45Å; E569-F579 HydrophobicContact CG-CD2 4.33Å; E569-F579 HydrophobicContact CG-CE1 4.08Å; E569-F579 HydrophobicContact CG-CE2 3.94Å; E569-F579 HydrophobicContact CG-CZ 3.8Å; A576-F579 HydrophobicContact CB-CD2 3.94Å; V577-F579 PolarHBondContact O-N 3.23Å; F579-T581 VanDerWaalsContact C-N 3.25Å; F579-T581 HydrophobicContact CE1-CG2 3.71Å; F579-T581 HydrophobicContact CE2-CG2 4.05Å; F579-T581 HydrophobicContact CZ-CG2 3.37Å; F579-T581 PolarHBondContact O-N 2.9Å; F579-G582 VanDerWaalsContact CE1-N 3.27Å; F579-G582 PolarHBondContact O-N 3.39Å; F579-M583 WeakPolarHBondContact O-CG 3.27Å; F579-M583 PolarHBondContact O-N 3.25Å
580L97.9Very high95.7Very high0 Ų013.4 Ų13.40%09%0.091CC..Hα-helixtrans-65.2-29.6-177.3-63.1-170.1000112.3A261 P277 G279 M301 N578 M583 G584A261-L580 HydrophobicContact CB-CD1 3.65Å; P277-L580 PolarHBondContact O-N 2.87Å; G279-L580 VanDerWaalsContact CA-CD1 3.48Å; M301-L580 HydrophobicContact CG-CB 4.22Å; M301-L580 HydrophobicContact SD-CB 3.59Å; M301-L580 VanDerWaalsContact SD-CB 3.59Å; M301-L580 HydrophobicContact SD-CD1 4.24Å; N578-L580 PolarHBondContact O-N 2.92Å; L580-M583 HydrophobicContact CD2-CE 4.42Å; L580-M583 HydrophobicContact CD2-SD 3.79Å; L580-M583 PolarHBondContact O-N 2.83Å; L580-G584 PolarHBondContact O-N 2.92Å
581T97.6Very high95.8Very high0 Ų012.5 Ų12.50%09%0.085CC..Hα-helixtrans-55.9-51.8172.2-69.20000111.5P277 D296 W300 M531 F579 M583 G584 G585P277-T581 WeakPolarHBondContact CB-OG1 3.46Å; D296-T581 WeakPolarHBondContact CB-OG1 3.37Å; D296-T581 WeakPolarHBondContact OD1-CB 3.31Å; D296-T581 WeakPolarHBondContact OD1-CG2 3.44Å; D296-T581 PolarHBondContact OD1-OG1 3.17Å; W300-T581 HydrophobicContact CB-CG2 4.43Å; W300-T581 VanDerWaalsContact CD1-CG2 3.5Å; W300-T581 HydrophobicContact CG-CG2 4.04Å; M531-T581 HydrophobicContact CB-CG2 4.08Å; M531-T581 HydrophobicContact CE-CG2 3.52Å; M531-T581 HydrophobicContact CG-CG2 3.83Å; M531-T581 HydrophobicContact SD-CG2 3.48Å; M531-T581 WeakPolarHBondContact SD-CG2 3.35Å; F579-T581 VanDerWaalsContact C-N 3.25Å; F579-T581 HydrophobicContact CE1-CG2 3.71Å; F579-T581 HydrophobicContact CE2-CG2 4.05Å; F579-T581 HydrophobicContact CZ-CG2 3.37Å; F579-T581 PolarHBondContact O-N 2.9Å; T581-M583 PolarHBondContact O-N 2.85Å; T581-G584 PolarHBondContact O-N 2.83Å; T581-G585 PolarHBondContact O-N 2.98Å
582G97.3Very high96.1Very high0 Ų011.1 Ų11.10%08%0.075CC..Hα-helixtrans-61.3-44.7177.400000112.3W567 F579 G584 G585 F586W567-G582 WeakPolarHBondContact CZ3-O 3.45Å; F579-G582 VanDerWaalsContact CE1-N 3.27Å; F579-G582 PolarHBondContact O-N 3.39Å; G582-G584 VanDerWaalsContact C-N 3.32Å; G582-G584 PolarHBondContact O-N 2.86Å; G582-G585 PolarHBondContact O-N 2.81Å; G582-F586 WeakPolarHBondContact O-CB 3.3Å; G582-F586 PolarHBondContact O-N 3.09Å
583M97.9Very high96.4Very high0 Ų05.8 Ų5.80%05%0.047CC..Hα-helixtrans-59.9-42.4175.6-63.2179.9-167.500111.7C254 Y257 W567 F579 L580 T581 F586 L587C254-M583 HydrophobicContact CB-CB 3.91Å; C254-M583 HydrophobicContact CB-CG 4.28Å; Y257-M583 HydrophobicContact CD2-CE 3.6Å; Y257-M583 HydrophobicContact CD2-SD 4.08Å; Y257-M583 HydrophobicContact CE2-CE 4.44Å; Y257-M583 HydrophobicContact CG-CE 3.98Å; Y257-M583 HydrophobicContact CG-SD 4.25Å; W567-M583 HydrophobicContact CB-CE 3.66Å; W567-M583 HydrophobicContact CB-CG 4.07Å; W567-M583 HydrophobicContact CD2-CG 3.66Å; W567-M583 HydrophobicContact CE3-CG 4.26Å; W567-M583 HydrophobicContact CG-CE 3.72Å; W567-M583 HydrophobicContact CG-CG 3.55Å; W567-M583 HydrophobicContact CG-SD 4.45Å; F579-M583 WeakPolarHBondContact O-CG 3.27Å; F579-M583 PolarHBondContact O-N 3.25Å; L580-M583 HydrophobicContact CD2-CE 4.42Å; L580-M583 HydrophobicContact CD2-SD 3.79Å; L580-M583 PolarHBondContact O-N 2.83Å; T581-M583 PolarHBondContact O-N 2.85Å; M583-F586 PolarHBondContact O-N 3.32Å; M583-L587 WeakPolarHBondContact O-CB 3.3Å; M583-L587 VanDerWaalsContact O-CG 3.27Å; M583-L587 WeakPolarHBondContact O-CG 3.32Å; M583-L587 PolarHBondContact O-N 2.82Å
584G97.5Very high96.7Very high2 Ų25.5 Ų5.52%0.0214%0.044CC..Hα-helixtrans-63.3-50.4177.700000112.3W300 L580 T581 G582 F586 L587 Q588W300-G584 CarbonylContact O-C 3.5Å; W300-G584 VanDerWaalsContact O-CA 3.24Å; W300-G584 WeakPolarHBondContact O-CA 2.95Å; L580-G584 PolarHBondContact O-N 2.92Å; T581-G584 PolarHBondContact O-N 2.83Å; G582-G584 VanDerWaalsContact C-N 3.32Å; G582-G584 PolarHBondContact O-N 2.86Å; G584-F586 VanDerWaalsContact C-N 3.33Å; G584-F586 PolarHBondContact O-N 2.86Å; G584-L587 PolarHBondContact O-N 3.44Å; G584-Q588 WeakPolarHBondContact O-CG 3.42Å; G584-Q588 PolarHBondContact O-N 2.97Å
585G96.6Very high96.9Very high0 Ų03.2 Ų3.20%03%0.028CC..Hα-helixtrans-60.2-40.717600000113.1T581 G582 Q588 A589T581-G585 PolarHBondContact O-N 2.98Å; G582-G585 PolarHBondContact O-N 2.81Å; G585-Q588 PolarHBondContact O-N 2.83Å; G585-A589 PolarHBondContact O-N 3.48Å
586F97.4Very high97.2Very high0 Ų01.8 Ų1.80%01%0.013CC..Hα-helixtrans-65.4-46.2174.8175.7-99000112.7L247 A250 V251 L553 C556 F557 W567 G582 M583 G584 Q588 A589 V590L247-F586 HydrophobicContact CD1-CE1 4.14Å; L247-F586 HydrophobicContact CD1-CE2 4.36Å; L247-F586 HydrophobicContact CD1-CZ 3.46Å; L247-F586 VanDerWaalsContact CD1-CZ 3.46Å; A250-F586 HydrophobicContact CB-CE1 4.03Å; A250-F586 HydrophobicContact CB-CZ 4.08Å; V251-F586 HydrophobicContact CG2-CE1 4.08Å; L553-F586 HydrophobicContact CD2-CD2 3.93Å; L553-F586 HydrophobicContact CD2-CE2 4.07Å; C556-F586 HydrophobicContact CB-CD2 3.76Å; C556-F586 HydrophobicContact CB-CE2 4.2Å; F557-F586 AromaticContact CE1-CE2 3.99Å; F557-F586 HydrophobicContact CE1-CE2 3.99Å; F557-F586 AromaticContact CE1-CZ 3.84Å; F557-F586 HydrophobicContact CE1-CZ 3.84Å; W567-F586 HydrophobicContact CH2-CB 3.36Å; W567-F586 AromaticContact CH2-CD1 3.96Å; W567-F586 HydrophobicContact CH2-CD1 3.96Å; W567-F586 AromaticContact CH2-CD2 3.84Å; W567-F586 HydrophobicContact CH2-CD2 3.84Å; W567-F586 AromaticContact CH2-CG 3.45Å; W567-F586 HydrophobicContact CH2-CG 3.45Å; W567-F586 VanDerWaalsContact CH2-CG 3.45Å; W567-F586 HydrophobicContact CZ2-CB 4.14Å; W567-F586 AromaticContact CZ2-CD1 3.94Å; W567-F586 HydrophobicContact CZ2-CD1 3.94Å; W567-F586 HydrophobicContact CZ2-CD2 4.45Å; W567-F586 HydrophobicContact CZ2-CE1 4.45Å; W567-F586 AromaticContact CZ2-CG 3.92Å; W567-F586 HydrophobicContact CZ2-CG 3.92Å; W567-F586 HydrophobicContact CZ3-CB 3.97Å; W567-F586 HydrophobicContact CZ3-CG 4.49Å; G582-F586 WeakPolarHBondContact O-CB 3.3Å; G582-F586 PolarHBondContact O-N 3.09Å; M583-F586 PolarHBondContact O-N 3.32Å; G584-F586 VanDerWaalsContact C-N 3.33Å; G584-F586 PolarHBondContact O-N 2.86Å; F586-Q588 PolarHBondContact O-N 2.91Å; F586-A589 WeakPolarHBondContact O-CB 3.45Å; F586-A589 PolarHBondContact O-N 2.83Å; F586-A589 VanDerWaalsContact O-N 3.1Å; F586-V590 PolarHBondContact O-N 2.89Å
587L97.5Very high97.4Very high4 Ų41.7 Ų1.72%0.0211%0.012CC..Hα-helixtrans-60.3-35.2176.6-79.7172.4000111.7V251 C254 M255 L258 M583 G584 A589 V590 L591V251-L587 HydrophobicContact CG1-CD2 4.15Å; C254-L587 HydrophobicContact CB-CD1 3.62Å; C254-L587 HydrophobicContact CB-CD2 3.85Å; C254-L587 HydrophobicContact CB-CG 3.57Å; M255-L587 HydrophobicContact CG-CD1 4.28Å; M255-L587 HydrophobicContact CG-CD2 3.89Å; M255-L587 HydrophobicContact SD-CD1 3.82Å; M255-L587 HydrophobicContact SD-CD2 4.01Å; L258-L587 HydrophobicContact CD2-CD1 4.04Å; M583-L587 WeakPolarHBondContact O-CB 3.3Å; M583-L587 VanDerWaalsContact O-CG 3.27Å; M583-L587 WeakPolarHBondContact O-CG 3.32Å; M583-L587 PolarHBondContact O-N 2.82Å; G584-L587 PolarHBondContact O-N 3.44Å; L587-A589 VanDerWaalsContact C-N 3.3Å; L587-A589 PolarHBondContact O-N 3.48Å; L587-V590 PolarHBondContact O-N 2.91Å; L587-V590 VanDerWaalsContact O-N 3.16Å; L587-L591 WeakPolarHBondContact O-CB 3.37Å; L587-L591 WeakPolarHBondContact O-CG 3.44Å; L587-L591 PolarHBondContact O-N 3.4Å
588Q98.2Very high97.5Very high1 Ų13.7 Ų3.71%0.0052%0.019CC..Hα-helixtrans-64.3-34.2176.6-72.9-178.339.300112.9V299 W300 Y502 M535 I538 G584 G585 F586 V590 L591 F592 G593V299-Q588 PolarHBondContact O-NE2 2.96Å; W300-Q588 VanDerWaalsContact C-NE2 3.34Å; W300-Q588 VanDerWaalsContact CA-NE2 3.33Å; W300-Q588 PolarHBondContact O-NE2 2.77Å; Y502-Q588 HydrophobicContact CE1-CB 4.35Å; Y502-Q588 PolarHBondContact OH-OE1 3.12Å; M535-Q588 HydrophobicContact CE-CB 4.02Å; I538-Q588 HydrophobicContact CD1-CB 4.03Å; G584-Q588 WeakPolarHBondContact O-CG 3.42Å; G584-Q588 PolarHBondContact O-N 2.97Å; G585-Q588 PolarHBondContact O-N 2.83Å; F586-Q588 PolarHBondContact O-N 2.91Å; Q588-V590 VanDerWaalsContact C-N 3.26Å; Q588-V590 PolarHBondContact O-N 3.26Å; Q588-L591 PolarHBondContact O-N 2.89Å; Q588-F592 HydrophobicContact CB-CD2 3.98Å; Q588-F592 HydrophobicContact CG-CD2 3.86Å; Q588-F592 HydrophobicContact CG-CE2 4.04Å; Q588-F592 WeakPolarHBondContact O-CA 3.43Å; Q588-F592 WeakPolarHBondContact O-CB 3.39Å; Q588-F592 PolarHBondContact O-N 2.8Å; Q588-G593 PolarHBondContact O-N 2.89Å; Q588-G593 VanDerWaalsContact O-N 3.11Å
589A97.2Very high97.5Very high0 Ų04.5 Ų4.50%03%0.025CC..Iπ-helixtrans-62.9-35.5174.200000112.4A537 I538 L553 G585 F586 L587 G593 Y594A537-A589 HydrophobicContact CB-CB 4.34Å; I538-A589 HydrophobicContact CG1-CB 4.09Å; L553-A589 HydrophobicContact CD1-CB 4.22Å; L553-A589 HydrophobicContact CD2-CB 3.5Å; L553-A589 HydrophobicContact CG-CB 4.41Å; G585-A589 PolarHBondContact O-N 3.48Å; F586-A589 WeakPolarHBondContact O-CB 3.45Å; F586-A589 PolarHBondContact O-N 2.83Å; F586-A589 VanDerWaalsContact O-N 3.1Å; L587-A589 VanDerWaalsContact C-N 3.3Å; L587-A589 PolarHBondContact O-N 3.48Å; A589-G593 CarbonylContact O-C 3.19Å; A589-G593 WeakPolarHBondContact O-CA 3.46Å; A589-G593 PolarHBondContact O-N 3.41Å; A589-G593 VanDerWaalsContact O-N 3.13Å; A589-Y594 PolarHBondContact O-N 3.07Å
590V96.9Very high97.4Very high0 Ų09 Ų90%05%0.046CC..Iπ-helixtrans-74.9-47.6174.2-177.80000111.1V239 L247 V251 F586 L587 Q588 Y594 L617V239-V590 HydrophobicContact CG1-CG1 3.92Å; L247-V590 HydrophobicContact CD1-CG2 4.32Å; V251-V590 HydrophobicContact CG2-CG1 4.39Å; V251-V590 HydrophobicContact CG2-CG2 4.01Å; F586-V590 PolarHBondContact O-N 2.89Å; L587-V590 PolarHBondContact O-N 2.91Å; L587-V590 VanDerWaalsContact O-N 3.16Å; Q588-V590 VanDerWaalsContact C-N 3.26Å; Q588-V590 PolarHBondContact O-N 3.26Å; V590-Y594 HydrophobicContact CB-CD2 4.27Å; V590-Y594 HydrophobicContact CB-CE2 4.44Å; V590-Y594 HydrophobicContact CG1-CD2 3.96Å; V590-Y594 HydrophobicContact CG1-CE2 4.3Å; V590-Y594 HydrophobicContact CG2-CD2 4.42Å; V590-Y594 HydrophobicContact CG2-CE2 4.09Å; V590-Y594 WeakPolarHBondContact O-CB 3.23Å; V590-L617 HydrophobicContact CG1-CD1 4.1Å
591L97.6Very high97.2Very high0 Ų013 Ų130%06%0.063CC..Iπ-helixtrans-80-33.6-171.1-71.2176.4000114.8V239 F308 L587 Q588 T595 F597 V619V239-L591 HydrophobicContact CG1-CD2 4.31Å; V239-L591 HydrophobicContact CG2-CD2 3.75Å; F308-L591 HydrophobicContact CE2-CD1 3.79Å; F308-L591 HydrophobicContact CE2-CD2 3.97Å; F308-L591 HydrophobicContact CZ-CD1 4.38Å; F308-L591 HydrophobicContact CZ-CD2 3.7Å; L587-L591 WeakPolarHBondContact O-CB 3.37Å; L587-L591 WeakPolarHBondContact O-CG 3.44Å; L587-L591 PolarHBondContact O-N 3.4Å; Q588-L591 PolarHBondContact O-N 2.89Å; L591-T595 WeakPolarHBondContact O-CB 3.29Å; L591-T595 WeakPolarHBondContact O-CG2 3.33Å; L591-T595 PolarHBondContact O-OG1 3.07Å; L591-F597 WeakPolarHBondContact O-CD2 3.48Å; L591-V619 HydrophobicContact CD2-CG1 3.87Å
592F98.1Very high97Very high3 Ų317.3 Ų17.31%0.0138%0.084CC..Iπ-helixtrans-118.3-21.5-177.2-59.3-85.4000112.3P303 L307 Y502 Q588 G596 F597 R598P303-F592 HydrophobicContact CB-CE2 3.81Å; P303-F592 HydrophobicContact CB-CZ 3.87Å; L307-F592 HydrophobicContact CD2-CE1 4.26Å; L307-F592 HydrophobicContact CD2-CZ 4.07Å; Y502-F592 HydrophobicContact CE1-CB 4.44Å; Y502-F592 HydrophobicContact CE2-CB 3.78Å; Y502-F592 HydrophobicContact CE2-CD1 4.16Å; Y502-F592 AromaticContact CE2-CG 3.96Å; Y502-F592 HydrophobicContact CE2-CG 3.96Å; Y502-F592 AromaticContact CZ-CG 3.77Å; Y502-F592 WeakPolarHBondContact OH-CD2 3.34Å; Y502-F592 WeakPolarHBondContact OH-CG 3.5Å; Q588-F592 HydrophobicContact CB-CD2 3.98Å; Q588-F592 HydrophobicContact CG-CD2 3.86Å; Q588-F592 HydrophobicContact CG-CE2 4.04Å; Q588-F592 WeakPolarHBondContact O-CA 3.43Å; Q588-F592 WeakPolarHBondContact O-CB 3.39Å; Q588-F592 PolarHBondContact O-N 2.8Å; F592-G596 CarbonylContact O-C 3.18Å; F592-G596 WeakPolarHBondContact O-CA 3.38Å; F592-G596 PolarHBondContact O-N 2.91Å; F592-F597 HydrophobicContact CD1-CB 3.87Å; F592-F597 WeakPolarHBondContact CD1-O 3.45Å; F592-F597 HydrophobicContact CE1-CB 4.42Å; F592-R598 PolarHBondContact O-NH1 3.36Å
593G97.8Very high97Very high3 Ų318.1 Ų18.13%0.0319%0.089CC..Iπ-helixtrans-76.5-66.6169.200000111.4Q588 A589 T595 G596Q588-G593 PolarHBondContact O-N 2.89Å; Q588-G593 VanDerWaalsContact O-N 3.11Å; A589-G593 CarbonylContact O-C 3.19Å; A589-G593 WeakPolarHBondContact O-CA 3.46Å; A589-G593 PolarHBondContact O-N 3.41Å; A589-G593 VanDerWaalsContact O-N 3.13Å; G593-T595 VanDerWaalsContact C-N 3.34Å; G593-T595 PolarHBondContact O-N 3.14Å; G593-G596 PolarHBondContact O-N 3.43Å
594Y97.9Very high97Very high1 Ų118.1 Ų18.10%0.0049%0.089CC..Iπ-helixtrans-65-34.1-173.9-62.8-16.7000114.5L247 L541 Q550 L553 A589 V590 P608 L609 P611 L617L247-Y594 HydrophobicContact CD2-CE2 4.12Å; L541-Y594 HydrophobicContact CD1-CD1 3.68Å; L541-Y594 HydrophobicContact CD1-CE1 3.95Å; L541-Y594 HydrophobicContact CD2-CD1 4.26Å; Q550-Y594 PolarHBondContact OE1-OH 3.24Å; L553-Y594 HydrophobicContact CD1-CE1 3.91Å; L553-Y594 WeakPolarHBondContact CD1-OH 3.36Å; A589-Y594 PolarHBondContact O-N 3.07Å; V590-Y594 HydrophobicContact CB-CD2 4.27Å; V590-Y594 HydrophobicContact CB-CE2 4.44Å; V590-Y594 HydrophobicContact CG1-CD2 3.96Å; V590-Y594 HydrophobicContact CG1-CE2 4.3Å; V590-Y594 HydrophobicContact CG2-CD2 4.42Å; V590-Y594 HydrophobicContact CG2-CE2 4.09Å; V590-Y594 WeakPolarHBondContact O-CB 3.23Å; Y594-P608 CarbonylContact O-C 3.56Å; Y594-P608 VanDerWaalsContact O-CA 3.28Å; Y594-P608 WeakPolarHBondContact O-CA 3.37Å; Y594-L609 WeakPolarHBondContact CA-O 3.27Å; Y594-L609 PolarHBondContact O-N 3.23Å; Y594-P611 HydrophobicContact CD1-CG 4.24Å; Y594-P611 HydrophobicContact CE1-CG 3.48Å; Y594-P611 VanDerWaalsContact CE1-CG 3.48Å; Y594-L617 HydrophobicContact CD2-CD2 4.2Å
595T98.1Very high97.1Very high2 Ų218.8 Ų18.81%0.0129%0.094CC..SBendtrans-81.2-22174.470.20000112.2L591 G593 F597 A607 L617 V619 L633L591-T595 WeakPolarHBondContact O-CB 3.29Å; L591-T595 WeakPolarHBondContact O-CG2 3.33Å; L591-T595 PolarHBondContact O-OG1 3.07Å; G593-T595 VanDerWaalsContact C-N 3.34Å; G593-T595 PolarHBondContact O-N 3.14Å; T595-F597 HydrophobicContact CG2-CD2 3.97Å; T595-F597 HydrophobicContact CG2-CE2 3.75Å; T595-F597 HydrophobicContact CG2-CZ 4.26Å; T595-F597 PolarHBondContact O-N 3.2Å; T595-F597 WeakPolarHBondContact OG1-CB 3.34Å; T595-F597 WeakPolarHBondContact OG1-CD2 3.35Å; T595-F597 WeakPolarHBondContact OG1-CG 3.47Å; T595-F597 PolarHBondContact OG1-N 3.47Å; T595-A607 CarbonylContact O-C 3.6Å; T595-A607 PolarHBondContact O-N 3.13Å; T595-A607 VanDerWaalsContact O-N 3.08Å; T595-L617 HydrophobicContact CG2-CD2 4.15Å; T595-V619 HydrophobicContact CG2-CG2 4.2Å; T595-L633 HydrophobicContact CG2-CD2 4.3Å
596G97.7Very high97.1Very high9 Ų919 Ų199%0.09310%0.095CC..  trans6322-167.900000113.9F592 G593 R598 F606 A607F592-G596 CarbonylContact O-C 3.18Å; F592-G596 WeakPolarHBondContact O-CA 3.38Å; F592-G596 PolarHBondContact O-N 2.91Å; G593-G596 PolarHBondContact O-N 3.43Å; G596-R598 PolarHBondContact O-N 3.47Å; G596-F606 WeakPolarHBondContact O-CA 3.49Å; G596-A607 PolarHBondContact O-N 2.73Å
597F98.3Very high97.1Very high1 Ų121.4 Ų21.40%0.00412%0.115CC..  trans-59.8130.8-178.3-73.8-34.6000112.1L307 L591 F592 T595 L604 A605 F606 I622 W631L307-F597 HydrophobicContact CD2-CD2 4.18Å; L591-F597 WeakPolarHBondContact O-CD2 3.48Å; F592-F597 HydrophobicContact CD1-CB 3.87Å; F592-F597 WeakPolarHBondContact CD1-O 3.45Å; F592-F597 HydrophobicContact CE1-CB 4.42Å; T595-F597 HydrophobicContact CG2-CD2 3.97Å; T595-F597 HydrophobicContact CG2-CE2 3.75Å; T595-F597 HydrophobicContact CG2-CZ 4.26Å; T595-F597 PolarHBondContact O-N 3.2Å; T595-F597 WeakPolarHBondContact OG1-CB 3.34Å; T595-F597 WeakPolarHBondContact OG1-CD2 3.35Å; T595-F597 WeakPolarHBondContact OG1-CG 3.47Å; T595-F597 PolarHBondContact OG1-N 3.47Å; F597-L604 HydrophobicContact CB-CD1 4.22Å; F597-L604 HydrophobicContact CD1-CD1 4.2Å; F597-L604 HydrophobicContact CD1-CD2 4.41Å; F597-L604 HydrophobicContact CD1-CG 4.24Å; F597-L604 HydrophobicContact CE1-CD2 4.46Å; F597-L604 HydrophobicContact CG-CD1 4.3Å; F597-A605 CarbonylContact C-O 3.56Å; F597-A605 VanDerWaalsContact CA-O 3.24Å; F597-A605 WeakPolarHBondContact CA-O 3.37Å; F597-F606 HydrophobicContact CD1-CB 3.77Å; F597-F606 HydrophobicContact CE1-CB 3.9Å; F597-I622 HydrophobicContact CE2-CD1 3.92Å; F597-I622 HydrophobicContact CE2-CG1 4.22Å; F597-W631 HydrophobicContact CE1-CD2 4.09Å; F597-W631 AromaticContact CE1-CE2 3.78Å; F597-W631 HydrophobicContact CE1-CE3 4.23Å; F597-W631 AromaticContact CE1-CH2 3.83Å; F597-W631 HydrophobicContact CE1-CH2 3.83Å; F597-W631 AromaticContact CE1-CZ2 3.6Å; F597-W631 HydrophobicContact CE1-CZ2 3.6Å; F597-W631 HydrophobicContact CE1-CZ3 4.13Å; F597-W631 AromaticContact CZ-CD2 3.66Å; F597-W631 HydrophobicContact CZ-CD2 3.66Å; F597-W631 AromaticContact CZ-CE2 3.57Å; F597-W631 HydrophobicContact CZ-CE3 4.1Å; F597-W631 AromaticContact CZ-CG 3.97Å; F597-W631 HydrophobicContact CZ-CG 3.97Å; F597-W631 HydrophobicContact CZ-CH2 4.39Å; F597-W631 AromaticContact CZ-CZ2 3.92Å; F597-W631 HydrophobicContact CZ-CZ2 3.92Å; F597-W631 HydrophobicContact CZ-CZ3 4.46Å; F597-W631 AromaticContact CZ-NE1 3.83Å
598R97.4Very high97.1Very high43 Ų4321.8 Ų21.816%0.16212%0.118CC..EExtended strand (participates in β ladder)trans-134.3118.5169.5-61.5-68.5178.3-83.62.6108.1I538 E542 F592 G596 Q600 A605I538-R598 VanDerWaalsContact CG2-NH2 3.29Å; E542-R598 IonicContact OE1-CZ 3.87Å; E542-R598 IonicContact OE1-NE 3.72Å; E542-R598 PolarHBondContact OE1-NE 3.03Å; E542-R598 IonicContact OE1-NH2 3.78Å; E542-R598 PolarHBondContact OE1-NH2 2.79Å; F592-R598 PolarHBondContact O-NH1 3.36Å; G596-R598 PolarHBondContact O-N 3.47Å; R598-Q600 HydrophobicContact CB-CG 4.49Å; R598-Q600 PolarHBondContact O-N 3.14Å; R598-A605 HydrophobicContact CB-CB 4.26Å; R598-A605 PolarHBondContact N-O 3Å; R598-A605 PolarHBondContact O-N 2.92Å
599V95.9Very high97Very high26 Ų2623.3 Ų23.316%0.15813%0.126CC..EExtended strand (participates in β ladder)trans-80120.2174.1179.40000108.1H375 Y378 L379 L604H375-V599 VanDerWaalsContact CD2-CB 3.44Å; H375-V599 WeakPolarHBondContact CD2-CB 3.37Å; H375-V599 WeakPolarHBondContact NE2-CG2 3.21Å; Y378-V599 VanDerWaalsContact CB-CG1 3.47Å; L379-V599 HydrophobicContact CD2-CB 4.5Å; L379-V599 HydrophobicContact CD2-CG1 4.11Å; L379-V599 HydrophobicContact CD2-CG2 3.55Å; L379-V599 HydrophobicContact CG-CG1 3.92Å; L379-V599 HydrophobicContact CG-CG2 3.94Å; V599-L604 HydrophobicContact CG2-CD1 3.82Å
600Q95.3Very high96.9Very high95 Ų9523.9 Ų23.944%0.44413%0.129SC..EExtended strand (participates in β ladder)trans-125.9160179-58177.3-6.100108.8R598 E602 C603R598-Q600 HydrophobicContact CB-CG 4.49Å; R598-Q600 PolarHBondContact O-N 3.14Å; Q600-E602 PolarHBondContact O-N 3.39Å; Q600-C603 CarbonylContact C-O 3.6Å; Q600-C603 WeakPolarHBondContact CA-O 3.48Å; Q600-C603 WeakPolarHBondContact CB-O 3.41Å; Q600-C603 PolarHBondContact N-O 3.08Å; Q600-C603 PolarHBondContact O-N 3.42Å; Q600-C603 PolarHBondContact OE1-SG 3.5Å
601K93.4Very high96.7Very high82 Ų8224 Ų2436%0.35713%0.13SC..THydrogen-bonded Turntrans-42.6-46-178.2-176.8-172.3178.1132.60114.5Y378 E449Y378-K601 HydrophobicContact CD1-CB 4.26Å; Y378-K601 HydrophobicContact CD1-CG 4.45Å; Y378-K601 HydrophobicContact CE1-CB 3.83Å; Y378-K601 HydrophobicContact CE1-CG 3.93Å; Y378-K601 HydrophobicContact CE2-CB 4.09Å; E449-K601 WeakPolarHBondContact OE1-CD 3.5Å; E449-K601 WeakPolarHBondContact OE1-CE 3.38Å; E449-K601 WeakPolarHBondContact OE1-CG 3.49Å; E449-K601 IonicContact OE1-NZ 3.04Å; E449-K601 PolarHBondContact OE1-NZ 2.85Å
602E93.6Very high96.4Very high92 Ų9230.6 Ų30.643%0.4317%0.165SC..THydrogen-bonded Turntrans-109.2-8.2-172.1-59.2-59.7160.400114Q600 K687Q600-E602 PolarHBondContact O-N 3.39Å; E602-K687 IonicContact OE2-NZ 3.35Å
603C96.9Very high95.9Very high16 Ų1633.8 Ų33.811%0.10818%0.18CC..EExtended strand (participates in β ladder)trans-157.8154.1-175.576.50000113.8Q600 Y624 C684 I685 C686Q600-C603 CarbonylContact C-O 3.6Å; Q600-C603 WeakPolarHBondContact CA-O 3.48Å; Q600-C603 WeakPolarHBondContact CB-O 3.41Å; Q600-C603 PolarHBondContact N-O 3.08Å; Q600-C603 PolarHBondContact O-N 3.42Å; Q600-C603 PolarHBondContact OE1-SG 3.5Å; C603-Y624 WeakPolarHBondContact CA-OH 3.28Å; C603-Y624 PolarHBondContact N-OH 3.1Å; C603-C684 HydrophobicContact CB-CB 3.84Å; C603-I685 CarbonylContact C-O 3.47Å; C603-I685 VanDerWaalsContact CA-O 3.26Å; C603-I685 WeakPolarHBondContact CA-O 3.17Å; C603-I685 WeakPolarHBondContact CB-O 3.02Å; C603-C686 HydrophobicContact CB-CB 3.94Å
604L97.9Very high95.7Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-91.197160.7175.365.6000107.9F597 V599 I622 Y624 M629 C684 I685F597-L604 HydrophobicContact CB-CD1 4.22Å; F597-L604 HydrophobicContact CD1-CD1 4.2Å; F597-L604 HydrophobicContact CD1-CD2 4.41Å; F597-L604 HydrophobicContact CD1-CG 4.24Å; F597-L604 HydrophobicContact CE1-CD2 4.46Å; F597-L604 HydrophobicContact CG-CD1 4.3Å; V599-L604 HydrophobicContact CG2-CD1 3.82Å; L604-I622 HydrophobicContact CD2-CG2 4.13Å; L604-Y624 HydrophobicContact CB-CD1 4.31Å; L604-Y624 HydrophobicContact CB-CD2 4Å; L604-Y624 HydrophobicContact CB-CE1 4.27Å; L604-Y624 HydrophobicContact CB-CE2 3.95Å; L604-Y624 HydrophobicContact CB-CG 4.19Å; L604-Y624 HydrophobicContact CD2-CG 4.46Å; L604-Y624 PolarHBondContact N-OH 3.1Å; L604-M629 HydrophobicContact CD2-CE 4.29Å; L604-C684 CarbonylContact O-C 2.92Å; L604-C684 VanDerWaalsContact O-CA 3.3Å; L604-C684 WeakPolarHBondContact O-CA 3.33Å; L604-I685 HydrophobicContact CB-CB 4.39Å; L604-I685 PolarHBondContact N-O 3.11Å; L604-I685 PolarHBondContact O-N 3.49Å
605A98.2Very high95.4Very high17 Ų1737.6 Ų37.614%0.1421%0.205CC..EExtended strand (participates in β ladder)trans-73.3154.2175.600000111F597 R598 G683 C684F597-A605 CarbonylContact C-O 3.56Å; F597-A605 VanDerWaalsContact CA-O 3.24Å; F597-A605 WeakPolarHBondContact CA-O 3.37Å; R598-A605 HydrophobicContact CB-CB 4.26Å; R598-A605 PolarHBondContact N-O 3Å; R598-A605 PolarHBondContact O-N 2.92Å; A605-G683 WeakPolarHBondContact CA-O 3.49Å; A605-C684 HydrophobicContact CB-CB 4.24Å
606F98.3Very high95.4Very high4 Ų440.6 Ų40.62%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-144.9148.7176.958.8-96.9000111.2G596 F597 W631 V659 L661 F678 E681 A682 G683 C684 I685G596-F606 WeakPolarHBondContact O-CA 3.49Å; F597-F606 HydrophobicContact CD1-CB 3.77Å; F597-F606 HydrophobicContact CE1-CB 3.9Å; F606-W631 HydrophobicContact CB-CH2 4.31Å; F606-W631 AromaticContact CD1-CH2 3.47Å; F606-W631 HydrophobicContact CD1-CH2 3.47Å; F606-W631 VanDerWaalsContact CD1-CH2 3.47Å; F606-W631 HydrophobicContact CD1-CZ2 4.38Å; F606-W631 HydrophobicContact CD1-CZ3 4.21Å; F606-W631 HydrophobicContact CD2-CH2 4.39Å; F606-W631 HydrophobicContact CD2-CZ3 4.34Å; F606-W631 AromaticContact CE1-CH2 3.73Å; F606-W631 HydrophobicContact CE1-CH2 3.73Å; F606-W631 HydrophobicContact CE1-CZ3 4.46Å; F606-W631 AromaticContact CG-CH2 3.82Å; F606-W631 HydrophobicContact CG-CH2 3.82Å; F606-W631 HydrophobicContact CG-CZ3 4.12Å; F606-W631 HydrophobicContact CZ-CH2 4.31Å; F606-V659 HydrophobicContact CE1-CG1 4.13Å; F606-V659 HydrophobicContact CZ-CG1 3.75Å; F606-L661 HydrophobicContact CE2-CD2 4.42Å; F606-L661 HydrophobicContact CZ-CD2 4.13Å; F606-F678 AromaticContact CE2-CE2 3.71Å; F606-F678 HydrophobicContact CE2-CE2 3.71Å; F606-F678 HydrophobicContact CE2-CZ 4.04Å; F606-F678 AromaticContact CZ-CE2 3.91Å; F606-F678 HydrophobicContact CZ-CE2 3.91Å; F606-F678 AromaticContact CZ-CZ 3.86Å; F606-F678 HydrophobicContact CZ-CZ 3.86Å; F606-E681 WeakPolarHBondContact CE2-O 3.44Å; F606-A682 CarbonylContact O-C 3.56Å; F606-A682 VanDerWaalsContact O-CA 3.3Å; F606-A682 WeakPolarHBondContact O-CA 3.15Å; F606-G683 VanDerWaalsContact CE1-C 3.46Å; F606-G683 PolarHBondContact N-O 3.16Å; F606-G683 PolarHBondContact O-N 3.5Å; F606-G683 VanDerWaalsContact O-O 3.13Å; F606-C684 VanDerWaalsContact CE1-N 3.31Å; F606-I685 HydrophobicContact CE1-CG1 4.23Å
607A97.4Very high95.4Very high51 Ų5140.2 Ų40.242%0.42121%0.214SC..  trans-149.670.7179.400000109.8T595 G596 L609 A682T595-A607 CarbonylContact O-C 3.6Å; T595-A607 PolarHBondContact O-N 3.13Å; T595-A607 VanDerWaalsContact O-N 3.08Å; G596-A607 PolarHBondContact O-N 2.73Å; A607-L609 PolarHBondContact O-N 3.47Å; A607-A682 HydrophobicContact CB-CB 4.09Å
608P97.2Very high95.4Very high12 Ų1241 Ų418%0.07822%0.22CC..  trans-66.8125-166.625.5-37.3000113.2Y594 L633 V638 R680Y594-P608 CarbonylContact O-C 3.56Å; Y594-P608 VanDerWaalsContact O-CA 3.28Å; Y594-P608 WeakPolarHBondContact O-CA 3.37Å; P608-L633 HydrophobicContact CB-CD2 3.58Å; P608-L633 HydrophobicContact CB-CG 4.2Å; P608-V638 HydrophobicContact CB-CG2 4.31Å; P608-V638 HydrophobicContact CG-CG2 3.92Å; P608-R680 HydrophobicContact CB-CG 4.11Å; P608-R680 HydrophobicContact CG-CG 3.76Å
609L96.4Very high95.4Very high33 Ų3338.9 Ų38.917%0.17321%0.212CC..  trans-139.4111.6177.7-177.160.5000110.2L541 A546 Y594 A607L541-L609 HydrophobicContact CB-CD2 4.38Å; L541-L609 HydrophobicContact CD2-CB 4.28Å; L541-L609 HydrophobicContact CD2-CD2 3.75Å; L541-L609 HydrophobicContact CD2-CG 3.94Å; L541-L609 WeakPolarHBondContact O-CD2 3.46Å; A546-L609 HydrophobicContact CB-CD1 4.26Å; A546-L609 HydrophobicContact CB-CD2 4.14Å; A546-L609 HydrophobicContact CB-CG 4.04Å; Y594-L609 WeakPolarHBondContact CA-O 3.27Å; Y594-L609 PolarHBondContact O-N 3.23Å; A607-L609 PolarHBondContact O-N 3.47Å
610L94.8Very high95.4Very high11 Ų1142 Ų426%0.05822%0.221CC..  trans-98.1135.4176.8-60.8-179000110.3I614 L617 L633L610-I614 HydrophobicContact CB-CB 4.41Å; L610-I614 HydrophobicContact CD1-CG2 4.46Å; L610-I614 HydrophobicContact CD2-CG2 4.26Å; L610-L617 HydrophobicContact CD2-CB 3.89Å; L610-L617 HydrophobicContact CD2-CD2 4.18Å; L610-L633 HydrophobicContact CD1-CB 4.19Å; L610-L633 HydrophobicContact CD2-CB 4.49Å; L610-L633 HydrophobicContact CD2-CD2 4.45Å
611P92.8Very high95.4Very high3 Ų337.5 Ų37.52%0.01920%0.2CC..  trans-60.2155.5163.7-21.333.1000111.9Q550 Y594 E613 I614Q550-P611 HydrophobicContact CB-CB 4.26Å; Q550-P611 HydrophobicContact CG-CB 4.45Å; Y594-P611 HydrophobicContact CD1-CG 4.24Å; Y594-P611 HydrophobicContact CE1-CG 3.48Å; Y594-P611 VanDerWaalsContact CE1-CG 3.48Å; P611-E613 VanDerWaalsContact C-N 3.25Å; P611-E613 HydrophobicContact CB-CG 4.43Å; P611-E613 PolarHBondContact O-N 3.28Å; P611-I614 HydrophobicContact CB-CG1 4.27Å; P611-I614 HydrophobicContact CG-CG1 4.34Å; P611-I614 WeakPolarHBondContact O-CB 3.22Å; P611-I614 PolarHBondContact O-N 3.39Å
612D90Very high95.6Very high138 Ų13833.6 Ų33.674%0.73818%0.183SC*.THydrogen-bonded Turntrans-62.4-28.1-173-80.3-22000114.5I614D612-I614 PolarHBondContact O-N 2.92Å
613E89Confident95.7Very high70 Ų7030.7 Ų30.733%0.32717%0.17SC..THydrogen-bonded Turntrans-74.5-10.8176.659.7167.4-135.500113.7G243 Q550 P611G243-E613 CarbonylContact C-O 3.46Å; G243-E613 WeakPolarHBondContact CA-O 3.48Å; Q550-E613 PolarHBondContact NE2-OE1 3.12Å; Q550-E613 PolarHBondContact NE2-OE2 3.06Å; P611-E613 VanDerWaalsContact C-N 3.25Å; P611-E613 HydrophobicContact CB-CG 4.43Å; P611-E613 PolarHBondContact O-N 3.28Å
614I93.1Very high95.7Very high7 Ų730 Ų304%0.03617%0.165CC..  trans-100.3109.3-178.1-49-52.3000109.4V241 L247 L610 P611 D612V241-I614 HydrophobicContact CG1-CD1 3.75Å; V241-I614 HydrophobicContact CG1-CG2 4.05Å; L247-I614 HydrophobicContact CD2-CD1 3.54Å; L247-I614 HydrophobicContact CD2-CG1 4.41Å; L610-I614 HydrophobicContact CB-CB 4.41Å; L610-I614 HydrophobicContact CD1-CG2 4.46Å; L610-I614 HydrophobicContact CD2-CG2 4.26Å; P611-I614 HydrophobicContact CB-CG1 4.27Å; P611-I614 HydrophobicContact CG-CG1 4.34Å; P611-I614 WeakPolarHBondContact O-CB 3.22Å; P611-I614 PolarHBondContact O-N 3.39Å; D612-I614 PolarHBondContact O-N 2.92Å
615C92.6Very high95.5Very high77 Ų7730.1 Ų30.152%0.5217%0.166SC..SBendtrans-75.8-45.5178.1-64.30000111.5T242T242-C615 HydrophobicContact CG2-CB 4.26Å; T242-C615 PolarHBondContact O-N 3.39Å
616E96.4Very high95.2Very high66 Ų6631.2 Ų31.231%0.30818%0.179SC..EExtended strand (participates in β ladder)trans-145.8142.8-178.4-57-171.6138.600110.4T242 L632 L633 R634T242-E616 PolarHBondContact N-O 2.85Å; T242-E616 PolarHBondContact O-N 3.38Å; E616-L632 HydrophobicContact CB-CD1 4.39Å; E616-L633 WeakPolarHBondContact CA-O 3.39Å; E616-R634 HydrophobicContact CG-CG 4.18Å; E616-R634 WeakPolarHBondContact OE1-CD 3.49Å; E616-R634 IonicContact OE1-NE 3.85Å; E616-R634 PolarHBondContact OE1-NE 3.17Å
617L97.8Very high95Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-122.9119.4168.6173.267.1000108.6V239 V241 V590 Y594 T595 L610 V619 L633V239-L617 HydrophobicContact CG1-CD1 4.09Å; V241-L617 HydrophobicContact CG2-CD1 3.87Å; V590-L617 HydrophobicContact CG1-CD1 4.1Å; Y594-L617 HydrophobicContact CD2-CD2 4.2Å; T595-L617 HydrophobicContact CG2-CD2 4.15Å; L610-L617 HydrophobicContact CD2-CB 3.89Å; L610-L617 HydrophobicContact CD2-CD2 4.18Å; L617-V619 HydrophobicContact CD1-CG2 4.13Å; L617-V619 HydrophobicContact CD2-CG2 4.08Å; L617-V619 HydrophobicContact CG-CG2 3.84Å; L617-L633 HydrophobicContact CB-CB 4.32Å; L617-L633 HydrophobicContact CD2-CD2 4.36Å; L617-L633 PolarHBondContact N-O 3.43Å; L617-L633 PolarHBondContact O-N 2.75Å
618C97.8Very high94.9Very high17 Ų1730.4 Ų30.412%0.11517%0.167CC..EExtended strand (participates in β ladder)trans-107.9120.4173.6-1710000110.1V239 E240 R620 W631 L632V239-C618 WeakPolarHBondContact CA-O 3.41Å; E240-C618 HydrophobicContact CB-CB 4.24Å; E240-C618 PolarHBondContact N-O 3.45Å; E240-C618 PolarHBondContact O-N 2.92Å; C618-R620 VanDerWaalsContact SG-CG 3.5Å; C618-R620 PolarHBondContact SG-NE 2.68Å; C618-W631 CarbonylContact C-O 3.57Å; C618-W631 WeakPolarHBondContact CA-O 3.46Å; C618-L632 HydrophobicContact CB-CD1 4.04Å
619V98Very high94.8Very high0 Ų029.9 Ų29.90%016%0.163CC..EExtended strand (participates in β ladder)trans-119.2111.5177.1-166.30000108.5K238 V239 F308 L591 T595 L617 I622 W631K238-V619 CarbonylContact O-C 3.59Å; K238-V619 WeakPolarHBondContact O-CA 3.4Å; V239-V619 HydrophobicContact CG2-CG1 4.48Å; F308-V619 HydrophobicContact CE1-CG1 3.81Å; F308-V619 HydrophobicContact CZ-CG1 3.69Å; L591-V619 HydrophobicContact CD2-CG1 3.87Å; T595-V619 HydrophobicContact CG2-CG2 4.2Å; L617-V619 HydrophobicContact CD1-CG2 4.13Å; L617-V619 HydrophobicContact CD2-CG2 4.08Å; L617-V619 HydrophobicContact CG-CG2 3.84Å; V619-I622 HydrophobicContact CG1-CD1 3.61Å; V619-I622 HydrophobicContact CG1-CG1 4.13Å; V619-W631 HydrophobicContact CB-CB 4.46Å; V619-W631 PolarHBondContact N-O 3.35Å; V619-W631 PolarHBondContact O-N 2.84Å
620R96.3Very high94.9Very high91 Ų9129.7 Ų29.734%0.34316%0.162SC..EExtended strand (participates in β ladder)trans-113133.7-172.3-53.5-167.1-161.1-169.58.9111.3S237 K238 E240 F308 C618 D630S237-R620 WeakPolarHBondContact CA-O 3.38Å; K238-R620 HydrophobicContact CB-CB 4.02Å; K238-R620 HydrophobicContact CB-CG 4.2Å; K238-R620 PolarHBondContact N-O 3.16Å; K238-R620 PolarHBondContact O-N 2.9Å; E240-R620 IonicContact OE2-CZ 2.72Å; E240-R620 IonicContact OE2-NE 3.27Å; E240-R620 IonicContact OE2-NH2 2.97Å; E240-R620 PolarHBondContact OE2-NH2 3.37Å; F308-R620 WeakPolarHBondContact CE1-O 3.14Å; C618-R620 VanDerWaalsContact SG-CG 3.5Å; C618-R620 PolarHBondContact SG-NE 2.68Å; R620-D630 WeakPolarHBondContact CA-OD1 3.47Å; R620-D630 HydrophobicContact CB-CB 4.48Å; R620-D630 VanDerWaalsContact CB-OD1 3.24Å; R620-D630 WeakPolarHBondContact CB-OD1 3.5Å; R620-D630 HydrophobicContact CG-CB 4.35Å
621G95.4Very high95.1Very high0 Ų029.4 Ų29.40%016%0.16CC..EExtended strand (participates in β ladder)trans94.524.7174.100000115.5Q236 N623 Q628 M629 D630Q236-G621 WeakPolarHBondContact O-CA 3.5Å; G621-N623 PolarHBondContact O-N 2.99Å; G621-N623 PolarHBondContact O-ND2 3.32Å; G621-Q628 VanDerWaalsContact CA-NE2 3.32Å; G621-Q628 PolarHBondContact O-NE2 3.23Å; G621-M629 PolarHBondContact N-O 3.5Å; G621-M629 VanDerWaalsContact N-O 3.11Å; G621-D630 PolarHBondContact N-OD1 2.94Å
622I96.9Very high95.4Very high0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-63121.9174.7-58.8-65.4000109.9L307 F308 F597 L604 V619 Q628 M629L307-I622 HydrophobicContact CD1-CD1 4.15Å; L307-I622 HydrophobicContact CD1-CG2 3.82Å; L307-I622 HydrophobicContact CD2-CD1 3.4Å; L307-I622 HydrophobicContact CG-CD1 3.49Å; L307-I622 VanDerWaalsContact CG-CD1 3.49Å; L307-I622 HydrophobicContact CG-CG2 4.2Å; F308-I622 HydrophobicContact CD1-CD1 4.42Å; F308-I622 HydrophobicContact CE1-CD1 3.79Å; F308-I622 HydrophobicContact CZ-CD1 4.29Å; F597-I622 HydrophobicContact CE2-CD1 3.92Å; F597-I622 HydrophobicContact CE2-CG1 4.22Å; L604-I622 HydrophobicContact CD2-CG2 4.13Å; V619-I622 HydrophobicContact CG1-CD1 3.61Å; V619-I622 HydrophobicContact CG1-CG1 4.13Å; I622-Q628 CarbonylContact O-C 3.58Å; I622-Q628 VanDerWaalsContact O-CA 3.31Å; I622-Q628 WeakPolarHBondContact O-CA 3.27Å; I622-M629 HydrophobicContact CB-CB 4.45Å; I622-M629 HydrophobicContact CG2-CE 4.11Å; I622-M629 PolarHBondContact N-O 3.45Å; I622-M629 PolarHBondContact O-N 3.42Å
623N96.4Very high95.7Very high32 Ų3224.6 Ų24.617%0.17113%0.134CC..EExtended strand (participates in β ladder)trans-95.4132.3177.4-73.7-101000110.9L307 F308 P310 G621 N627L307-N623 PolarHBondContact O-N 2.67Å; F308-N623 VanDerWaalsContact C-ND2 3.35Å; F308-N623 PolarHBondContact O-ND2 3.23Å; P310-N623 HydrophobicContact CG-CB 3.62Å; G621-N623 PolarHBondContact O-N 2.99Å; G621-N623 PolarHBondContact O-ND2 3.32Å; N623-N627 CarbonylContact C-O 3.51Å; N623-N627 VanDerWaalsContact CA-O 3.27Å; N623-N627 WeakPolarHBondContact CA-O 3.31Å
624Y96.7Very high96.1Very high1 Ų125.1 Ų25.10%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-154123.2173.1-175.9-115.6000110.5L379 C603 L604 G626 N627 L657 I685L379-Y624 HydrophobicContact CD2-CD2 4.25Å; C603-Y624 WeakPolarHBondContact CA-OH 3.28Å; C603-Y624 PolarHBondContact N-OH 3.1Å; L604-Y624 HydrophobicContact CB-CD1 4.31Å; L604-Y624 HydrophobicContact CB-CD2 4Å; L604-Y624 HydrophobicContact CB-CE1 4.27Å; L604-Y624 HydrophobicContact CB-CE2 3.95Å; L604-Y624 HydrophobicContact CB-CG 4.19Å; L604-Y624 HydrophobicContact CD2-CG 4.46Å; L604-Y624 PolarHBondContact N-OH 3.1Å; Y624-G626 VanDerWaalsContact C-N 3.3Å; Y624-G626 PolarHBondContact O-N 2.67Å; Y624-N627 PolarHBondContact N-O 2.8Å; Y624-N627 VanDerWaalsContact O-CB 3.31Å; Y624-N627 WeakPolarHBondContact O-CB 3.41Å; Y624-N627 PolarHBondContact O-N 3.24Å; Y624-L657 HydrophobicContact CD1-CD1 4.04Å; Y624-L657 HydrophobicContact CD1-CD2 4.1Å; Y624-L657 HydrophobicContact CE1-CD2 4.1Å; Y624-I685 HydrophobicContact CD1-CG2 4Å; Y624-I685 HydrophobicContact CE1-CG2 4.13Å
625L94.7Very high96Very high2 Ų231.5 Ų31.51%0.0116%0.161CC..THydrogen-bonded Turntrans48.847.6177.1-55.9-177000113.6L379 E381 N627 H655 L657 K687L379-L625 PolarHBondContact O-N 3.05Å; E381-L625 HydrophobicContact CB-CD2 4.13Å; E381-L625 HydrophobicContact CG-CD2 3.55Å; L625-N627 VanDerWaalsContact C-N 3.27Å; L625-N627 PolarHBondContact O-N 2.98Å; L625-N627 PolarHBondContact O-ND2 2.69Å; L625-N627 VanDerWaalsContact O-ND2 3.14Å; L625-H655 HydrophobicContact CB-CB 4.04Å; L625-H655 PolarHBondContact O-CD2 2.98Å; L625-H655 PolarHBondContact O-N 3.01Å; L625-L657 HydrophobicContact CD1-CD2 4.25Å; L625-K687 HydrophobicContact CD1-CD 4Å; L625-K687 HydrophobicContact CD1-CG 3.72Å
626G91.8Very high96.1Very high40 Ų4033.9 Ų33.941%0.41217%0.168SC..THydrogen-bonded Turntrans76.74.4179.900000115.4Y624 Q645Y624-G626 VanDerWaalsContact C-N 3.3Å; Y624-G626 PolarHBondContact O-N 2.67Å; G626-Q645 PolarHBondContact O-NE2 2.76Å
627N93.6Very high96.1Very high8 Ų833 Ų334%0.04317%0.166CC..EExtended strand (participates in β ladder)trans-106.7147.4178.6-71-80.4000111.6N623 Y624 L625 L642 H655 L657N623-N627 CarbonylContact C-O 3.51Å; N623-N627 VanDerWaalsContact CA-O 3.27Å; N623-N627 WeakPolarHBondContact CA-O 3.31Å; Y624-N627 PolarHBondContact N-O 2.8Å; Y624-N627 VanDerWaalsContact O-CB 3.31Å; Y624-N627 WeakPolarHBondContact O-CB 3.41Å; Y624-N627 PolarHBondContact O-N 3.24Å; L625-N627 VanDerWaalsContact C-N 3.27Å; L625-N627 PolarHBondContact O-N 2.98Å; L625-N627 PolarHBondContact O-ND2 2.69Å; L625-N627 VanDerWaalsContact O-ND2 3.14Å; N627-L642 HydrophobicContact CB-CD1 3.53Å; N627-L642 WeakPolarHBondContact OD1-CD1 3.27Å; N627-H655 PolarHBondContact ND2-N 2.88Å; N627-H655 PolarHBondContact ND2-O 2.84Å; N627-L657 HydrophobicContact CB-CD1 3.73Å; N627-L657 WeakPolarHBondContact ND2-CD1 3.48Å
628Q95Very high96.1Very high31 Ų3133 Ų3315%0.14517%0.166CC..EExtended strand (participates in β ladder)trans-112.6129.9172.1-167.6175.248.600110.7G621 I622 R643G621-Q628 VanDerWaalsContact CA-NE2 3.32Å; G621-Q628 PolarHBondContact O-NE2 3.23Å; I622-Q628 CarbonylContact O-C 3.58Å; I622-Q628 VanDerWaalsContact O-CA 3.31Å; I622-Q628 WeakPolarHBondContact O-CA 3.27Å; Q628-R643 WeakPolarHBondContact O-CB 3.21Å; Q628-R643 PolarHBondContact O-N 2.89Å; Q628-R643 VanDerWaalsContact OE1-CD 3.24Å
629M96.3Very high96.1Very high0 Ų032.9 Ų32.90%017%0.165CC..EExtended strand (participates in β ladder)trans-127.2143.8-173.4-61.5173.2-67.300111.9L604 G621 I622 V640 I641 L642 L657 L670 I685L604-M629 HydrophobicContact CD2-CE 4.29Å; G621-M629 PolarHBondContact N-O 3.5Å; G621-M629 VanDerWaalsContact N-O 3.11Å; I622-M629 HydrophobicContact CB-CB 4.45Å; I622-M629 HydrophobicContact CG2-CE 4.11Å; I622-M629 PolarHBondContact N-O 3.45Å; I622-M629 PolarHBondContact O-N 3.42Å; M629-V640 HydrophobicContact CB-CG1 4.42Å; M629-I641 CarbonylContact C-O 3.56Å; M629-I641 VanDerWaalsContact CA-O 3.29Å; M629-I641 WeakPolarHBondContact CA-O 3.46Å; M629-L642 HydrophobicContact CG-CD1 3.84Å; M629-L657 HydrophobicContact SD-CD1 4.16Å; M629-L670 HydrophobicContact SD-CD1 4.14Å; M629-I685 HydrophobicContact CE-CD1 3.93Å; M629-I685 HydrophobicContact SD-CD1 3.44Å; M629-I685 WeakPolarHBondContact SD-CD1 3Å; M629-I685 HydrophobicContact SD-CG2 4.46Å
630D97.9Very high96.1Very high30 Ų3032.9 Ų32.916%0.1617%0.165CC..EExtended strand (participates in β ladder)trans-109132.9170.2-63.5-25.5000109.5R620 G621 V640 I641 R643R620-D630 WeakPolarHBondContact CA-OD1 3.47Å; R620-D630 HydrophobicContact CB-CB 4.48Å; R620-D630 VanDerWaalsContact CB-OD1 3.24Å; R620-D630 WeakPolarHBondContact CB-OD1 3.5Å; R620-D630 HydrophobicContact CG-CB 4.35Å; G621-D630 PolarHBondContact N-OD1 2.94Å; D630-V640 CarbonylContact O-C 3.1Å; D630-V640 WeakPolarHBondContact O-CA 3.45Å; D630-I641 PolarHBondContact N-O 2.88Å; D630-I641 PolarHBondContact O-N 2.87Å; D630-R643 VanDerWaalsContact CG-NE 3.26Å; D630-R643 IonicContact OD1-CZ 3.52Å; D630-R643 IonicContact OD1-NE 3.54Å; D630-R643 PolarHBondContact OD1-NE 2.95Å; D630-R643 IonicContact OD1-NH2 2.83Å; D630-R643 PolarHBondContact OD1-NH2 2.84Å; D630-R643 IonicContact OD2-CZ 3.56Å; D630-R643 IonicContact OD2-NE 2.68Å; D630-R643 PolarHBondContact OD2-NE 2.85Å; D630-R643 IonicContact OD2-NH2 3.79Å; D630-R643 PolarHBondContact OD2-NH2 2.86Å
631W98.3Very high96.2Very high4 Ų431.5 Ų31.52%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-115.9135.8-179.2-72.373.5000110F597 F606 C618 V619 L633 V638 C639 V640 F678 I685F597-W631 HydrophobicContact CE1-CD2 4.09Å; F597-W631 AromaticContact CE1-CE2 3.78Å; F597-W631 HydrophobicContact CE1-CE3 4.23Å; F597-W631 AromaticContact CE1-CH2 3.83Å; F597-W631 HydrophobicContact CE1-CH2 3.83Å; F597-W631 AromaticContact CE1-CZ2 3.6Å; F597-W631 HydrophobicContact CE1-CZ2 3.6Å; F597-W631 HydrophobicContact CE1-CZ3 4.13Å; F597-W631 AromaticContact CZ-CD2 3.66Å; F597-W631 HydrophobicContact CZ-CD2 3.66Å; F597-W631 AromaticContact CZ-CE2 3.57Å; F597-W631 HydrophobicContact CZ-CE3 4.1Å; F597-W631 AromaticContact CZ-CG 3.97Å; F597-W631 HydrophobicContact CZ-CG 3.97Å; F597-W631 HydrophobicContact CZ-CH2 4.39Å; F597-W631 AromaticContact CZ-CZ2 3.92Å; F597-W631 HydrophobicContact CZ-CZ2 3.92Å; F597-W631 HydrophobicContact CZ-CZ3 4.46Å; F597-W631 AromaticContact CZ-NE1 3.83Å; F606-W631 HydrophobicContact CB-CH2 4.31Å; F606-W631 AromaticContact CD1-CH2 3.47Å; F606-W631 HydrophobicContact CD1-CH2 3.47Å; F606-W631 VanDerWaalsContact CD1-CH2 3.47Å; F606-W631 HydrophobicContact CD1-CZ2 4.38Å; F606-W631 HydrophobicContact CD1-CZ3 4.21Å; F606-W631 HydrophobicContact CD2-CH2 4.39Å; F606-W631 HydrophobicContact CD2-CZ3 4.34Å; F606-W631 AromaticContact CE1-CH2 3.73Å; F606-W631 HydrophobicContact CE1-CH2 3.73Å; F606-W631 HydrophobicContact CE1-CZ3 4.46Å; F606-W631 AromaticContact CG-CH2 3.82Å; F606-W631 HydrophobicContact CG-CH2 3.82Å; F606-W631 HydrophobicContact CG-CZ3 4.12Å; F606-W631 HydrophobicContact CZ-CH2 4.31Å; C618-W631 CarbonylContact C-O 3.57Å; C618-W631 WeakPolarHBondContact CA-O 3.46Å; V619-W631 HydrophobicContact CB-CB 4.46Å; V619-W631 PolarHBondContact N-O 3.35Å; V619-W631 PolarHBondContact O-N 2.84Å; W631-L633 HydrophobicContact CB-CD1 3.91Å; W631-L633 HydrophobicContact CE3-CD1 4.14Å; W631-V638 HydrophobicContact CE3-CG1 3.6Å; W631-V638 HydrophobicContact CZ3-CG1 3.75Å; W631-C639 WeakPolarHBondContact CA-O 3.46Å; W631-V640 HydrophobicContact CD2-CG1 4.36Å; W631-V640 HydrophobicContact CD2-CG2 3.63Å; W631-V640 HydrophobicContact CE3-CG2 3.49Å; W631-V640 VanDerWaalsContact CE3-CG2 3.49Å; W631-V640 HydrophobicContact CG-CG2 4.41Å; W631-V640 HydrophobicContact CH2-CG2 3.75Å; W631-V640 HydrophobicContact CZ2-CG1 4.32Å; W631-V640 HydrophobicContact CZ2-CG2 3.94Å; W631-V640 HydrophobicContact CZ3-CG2 3.53Å; W631-F678 HydrophobicContact CZ3-CZ 4.29Å; W631-I685 HydrophobicContact CH2-CD1 4.04Å; W631-I685 HydrophobicContact CH2-CG1 4.37Å; W631-I685 HydrophobicContact CZ2-CD1 3.34Å; W631-I685 HydrophobicContact CZ2-CG1 4.06Å
632L98.4Very high96.2Very high39 Ų3931.7 Ų31.720%0.20417%0.165CC..EExtended strand (participates in β ladder)trans-129.111117217858.5000108.4E616 C618 R634 V638 C639E616-L632 HydrophobicContact CB-CD1 4.39Å; C618-L632 HydrophobicContact CB-CD1 4.04Å; L632-R634 VanDerWaalsContact CD2-CZ 3.43Å; L632-R634 HydrophobicContact CG-CG 4.4Å; L632-V638 WeakPolarHBondContact O-CA 3.34Å; L632-C639 HydrophobicContact CB-CB 4.31Å; L632-C639 PolarHBondContact N-O 3.46Å; L632-C639 PolarHBondContact O-N 3.11Å
633L98.1Very high96.1Very high1 Ų134.3 Ų34.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-100.2126.4179.5-74.863.4000107.9T595 P608 L610 E616 L617 W631 V638T595-L633 HydrophobicContact CG2-CD2 4.3Å; P608-L633 HydrophobicContact CB-CD2 3.58Å; P608-L633 HydrophobicContact CB-CG 4.2Å; L610-L633 HydrophobicContact CD1-CB 4.19Å; L610-L633 HydrophobicContact CD2-CB 4.49Å; L610-L633 HydrophobicContact CD2-CD2 4.45Å; E616-L633 WeakPolarHBondContact CA-O 3.39Å; L617-L633 HydrophobicContact CB-CB 4.32Å; L617-L633 HydrophobicContact CD2-CD2 4.36Å; L617-L633 PolarHBondContact N-O 3.43Å; L617-L633 PolarHBondContact O-N 2.75Å; W631-L633 HydrophobicContact CB-CD1 3.91Å; W631-L633 HydrophobicContact CE3-CD1 4.14Å; L633-V638 HydrophobicContact CD1-CG1 4.2Å; L633-V638 HydrophobicContact CG-CG1 4.37Å; L633-V638 HydrophobicContact CG-CG2 4.13Å
634R96.4Very high95.6Very high82 Ų8239.5 Ų39.531%0.30920%0.198SC..EExtended strand (participates in β ladder)trans-120.8175.1173.6-57.1-167.8179.7101-8.7109.8E616 L632 D636 D637 R680E616-R634 HydrophobicContact CG-CG 4.18Å; E616-R634 WeakPolarHBondContact OE1-CD 3.49Å; E616-R634 IonicContact OE1-NE 3.85Å; E616-R634 PolarHBondContact OE1-NE 3.17Å; L632-R634 VanDerWaalsContact CD2-CZ 3.43Å; L632-R634 HydrophobicContact CG-CG 4.4Å; R634-D636 VanDerWaalsContact C-N 3.26Å; R634-D636 PolarHBondContact O-N 3.17Å; R634-D637 PolarHBondContact N-O 2.93Å; R634-D637 IonicContact NH1-OD1 3.61Å; R634-D637 PolarHBondContact NH1-OD1 3.17Å; R634-R680 WeakPolarHBondContact O-CD 3.41Å
635K91.5Very high94.4Very high140 Ų14044 Ų4461%0.60922%0.219SC*.SBendtrans-54.8-41.3179.4-169.3166.7-1761610113.5R680K635-R680 PolarHBondContact O-NE 3.29Å; K635-R680 PolarHBondContact O-NH2 2.88Å
636D93.9Very high92.5Very high127 Ų12750.5 Ų50.568%0.67926%0.259SS*.SBendtrans-111-23.5-171.3-56.5-41.7000113.7R634 R680R634-D636 VanDerWaalsContact C-N 3.26Å; R634-D636 PolarHBondContact O-N 3.17Å; D636-R680 PolarHBondContact O-N 2.83Å
637D96.6Very high90.6Very high47 Ų4751.1 Ų51.125%0.25127%0.266SS..EExtended strand (participates in β ladder)trans-137.4162.4-174.766.552.5000113.8R634 T677 F678R634-D637 PolarHBondContact N-O 2.93Å; R634-D637 IonicContact NH1-OD1 3.61Å; R634-D637 PolarHBondContact NH1-OD1 3.17Å; D637-T677 HydrophobicContact CB-CG2 3.88Å; D637-F678 WeakPolarHBondContact CA-O 3.22Å; D637-F678 WeakPolarHBondContact CB-O 3.45Å
638V98.1Very high88.1Confident0 Ų062.1 Ų62.10%031%0.306CS..EExtended strand (participates in β ladder)trans-124.3133.3168.3179.40000108.2P608 W631 L632 L633 V640 T677 F678 R680P608-V638 HydrophobicContact CB-CG2 4.31Å; P608-V638 HydrophobicContact CG-CG2 3.92Å; W631-V638 HydrophobicContact CE3-CG1 3.6Å; W631-V638 HydrophobicContact CZ3-CG1 3.75Å; L632-V638 WeakPolarHBondContact O-CA 3.34Å; L633-V638 HydrophobicContact CD1-CG1 4.2Å; L633-V638 HydrophobicContact CG-CG1 4.37Å; L633-V638 HydrophobicContact CG-CG2 4.13Å; V638-V640 HydrophobicContact CG1-CG2 4.21Å; V638-T677 VanDerWaalsContact O-CA 3.3Å; V638-T677 WeakPolarHBondContact O-CA 3.39Å; V638-F678 HydrophobicContact CB-CD2 4.19Å; V638-F678 HydrophobicContact CB-CE2 3.68Å; V638-F678 HydrophobicContact CB-CZ 3.91Å; V638-F678 HydrophobicContact CG1-CE1 4.47Å; V638-F678 HydrophobicContact CG1-CE2 4Å; V638-F678 HydrophobicContact CG1-CZ 3.75Å; V638-F678 HydrophobicContact CG2-CE2 4.39Å; V638-F678 PolarHBondContact N-O 3.17Å; V638-F678 PolarHBondContact O-N 3.1Å; V638-R680 HydrophobicContact CG2-CB 4.24Å; V638-R680 HydrophobicContact CG2-CG 4.1Å
639C98.3Very high85.5Confident15 Ų1564.9 Ų64.910%0.10134%0.335CS..EExtended strand (participates in β ladder)trans-115.1129.9173.4-174.70000109.9W631 L632 V676 T677W631-C639 WeakPolarHBondContact CA-O 3.46Å; L632-C639 HydrophobicContact CB-CB 4.31Å; L632-C639 PolarHBondContact N-O 3.46Å; L632-C639 PolarHBondContact O-N 3.11Å; C639-V676 CarbonylContact C-O 3.56Å; C639-V676 WeakPolarHBondContact CA-O 3.27Å; C639-T677 PolarHBondContact SG-OG1 2.83Å
640V98.3Very high83.3Confident0 Ų067.3 Ų67.30%036%0.36CS..EExtended strand (participates in β ladder)trans-119.8131.4176.3-173.70000109.1M629 D630 W631 V638 L670 V676 F678 I685M629-V640 HydrophobicContact CB-CG1 4.42Å; D630-V640 CarbonylContact O-C 3.1Å; D630-V640 WeakPolarHBondContact O-CA 3.45Å; W631-V640 HydrophobicContact CD2-CG1 4.36Å; W631-V640 HydrophobicContact CD2-CG2 3.63Å; W631-V640 HydrophobicContact CE3-CG2 3.49Å; W631-V640 VanDerWaalsContact CE3-CG2 3.49Å; W631-V640 HydrophobicContact CG-CG2 4.41Å; W631-V640 HydrophobicContact CH2-CG2 3.75Å; W631-V640 HydrophobicContact CZ2-CG1 4.32Å; W631-V640 HydrophobicContact CZ2-CG2 3.94Å; W631-V640 HydrophobicContact CZ3-CG2 3.53Å; V638-V640 HydrophobicContact CG1-CG2 4.21Å; V640-L670 HydrophobicContact CB-CD2 4.36Å; V640-L670 HydrophobicContact CG1-CD2 4.15Å; V640-V676 PolarHBondContact N-O 3.01Å; V640-V676 PolarHBondContact O-N 3.13Å; V640-F678 HydrophobicContact CG2-CE1 3.84Å; V640-F678 HydrophobicContact CG2-CZ 3.98Å; V640-I685 HydrophobicContact CG1-CD1 4.44Å
641I97.5Very high80.8Confident63 Ų6374.6 Ų74.632%0.32340%0.399SS..EExtended strand (participates in β ladder)trans-122118.4175.2-53.8179.1000108.1M629 D630 P675M629-I641 CarbonylContact C-O 3.56Å; M629-I641 VanDerWaalsContact CA-O 3.29Å; M629-I641 WeakPolarHBondContact CA-O 3.46Å; D630-I641 PolarHBondContact N-O 2.88Å; D630-I641 PolarHBondContact O-N 2.87Å; I641-P675 HydrophobicContact CD1-CB 4.23Å; I641-P675 HydrophobicContact CG1-CB 3.91Å
642L96Very high78.7Confident4 Ų479 Ų792%0.02143%0.427CS..EExtended strand (participates in β ladder)trans-76.8120.6166.5178.961.6000108.5N627 M629 L670 P672 G673N627-L642 HydrophobicContact CB-CD1 3.53Å; N627-L642 WeakPolarHBondContact OD1-CD1 3.27Å; M629-L642 HydrophobicContact CG-CD1 3.84Å; L642-L670 HydrophobicContact CB-CB 4.36Å; L642-L670 HydrophobicContact CD2-CB 4.28Å; L642-P672 HydrophobicContact CD2-CG 3.92Å; L642-P672 HydrophobicContact CG-CG 4.37Å; L642-P672 CarbonylContact O-C 3.56Å; L642-P672 WeakPolarHBondContact O-CA 2.96Å; L642-G673 PolarHBondContact O-N 3.39Å
643R93.8Very high77.3Confident54 Ų5483.3 Ų83.320%0.20445%0.449CS..PPolyproline II helixtrans-66.9148.6-177.7-67.3-174.2-179.7-172.1-2111.6L235 Q628 D630L235-R643 PolarHBondContact O-NH1 3.02Å; L235-R643 PolarHBondContact O-NH2 3.25Å; L235-R643 VanDerWaalsContact O-NH2 3.14Å; Q628-R643 WeakPolarHBondContact O-CB 3.21Å; Q628-R643 PolarHBondContact O-N 2.89Å; Q628-R643 VanDerWaalsContact OE1-CD 3.24Å; D630-R643 VanDerWaalsContact CG-NE 3.26Å; D630-R643 IonicContact OD1-CZ 3.52Å; D630-R643 IonicContact OD1-NE 3.54Å; D630-R643 PolarHBondContact OD1-NE 2.95Å; D630-R643 IonicContact OD1-NH2 2.83Å; D630-R643 PolarHBondContact OD1-NH2 2.84Å; D630-R643 IonicContact OD2-CZ 3.56Å; D630-R643 IonicContact OD2-NE 2.68Å; D630-R643 PolarHBondContact OD2-NE 2.85Å; D630-R643 IonicContact OD2-NH2 3.79Å; D630-R643 PolarHBondContact OD2-NH2 2.86Å
644E87.1Confident76.6Confident141 Ų14186 Ų8666%0.65947%0.467SS*.PPolyproline II helixtrans-68.2131.8168.2-66.5-171.2160.900109.7T646 P672E644-T646 PolarHBondContact O-N 2.97Å; E644-T646 VanDerWaalsContact O-N 3.11Å; E644-P672 HydrophobicContact CG-CB 4.43Å
645Q71.1Confident76.2Confident97 Ų9785.1 Ų85.145%0.45347%0.466SS..  trans-75.7101.6179.7-66.5-73.8-14.600109.3G626 G647G626-Q645 PolarHBondContact O-NE2 2.76Å; Q645-G647 PolarHBondContact O-N 3.11Å; Q645-G647 VanDerWaalsContact O-N 3.14Å
646T54.7Low76.3Confident137 Ų13785.6 Ų85.684%0.8447%0.469SS*.  trans-82.684.9173.354.60000109.8E644E644-T646 PolarHBondContact O-N 2.97Å; E644-T646 VanDerWaalsContact O-N 3.11Å
647G52Low76.4Confident54 Ų5479.6 Ų79.656%0.55744%0.436SS*.SBendtrans87.1147.5176.900000114.3Q645 A649Q645-G647 PolarHBondContact O-N 3.11Å; Q645-G647 VanDerWaalsContact O-N 3.14Å; G647-A649 PolarHBondContact O-N 3.23Å
648R41.1Very low76.4Confident238 Ų23878.4 Ų78.490%0.89843%0.429SS*.  trans-71.297.5178.7-77-179.5175.2177.4-2.8110
649A41Very low76.4Confident90 Ų9078.4 Ų78.474%0.74443%0.429SS*.  trans-10372.5168.200000109.7G647G647-A649 PolarHBondContact O-N 3.23Å
650G49.2Very low76.4Confident51 Ų5179.2 Ų79.253%0.52643%0.434SS..SBendtrans147.8152.317700000113.5T652G650-T652 VanDerWaalsContact C-N 3.31Å
651N45.3Very low76.3Confident183 Ų18379.5 Ų79.598%0.97944%0.435SS*.SBendtrans-81.1-5.4178.3-87.7-13.4000113.7
652T55.6Low76.2Confident97 Ų9784.9 Ų84.960%0.59546%0.456SS*.SBendtrans-104.8130.8179.750.30000110.4G650G650-T652 VanDerWaalsContact C-N 3.31Å
653N68.6Low76Confident128 Ų12888.8 Ų88.868%0.68449%0.489SS*.PPolyproline II helixtrans-70.2133.6174.1-73.1-42.1000108.8H655N653-H655 PolarHBondContact O-N 3.48Å
654P82.1Confident75.8Confident58 Ų5889.7 Ų89.738%0.37750%0.504SS..PPolyproline II helixtrans-58.4135.4178.722.2-31.9000110.8
655H88.8Confident76Confident63 Ų6385.2 Ų85.229%0.29250%0.495SS..PPolyproline II helixtrans-69.1148.5178.8-72-102.4000110.8E381 L625 N627 N653 L657 K687E381-H655 IonicContact OE2-CE1 3.69Å; E381-H655 IonicContact OE2-NE2 3.39Å; L625-H655 HydrophobicContact CB-CB 4.04Å; L625-H655 PolarHBondContact O-CD2 2.98Å; L625-H655 PolarHBondContact O-N 3.01Å; N627-H655 PolarHBondContact ND2-N 2.88Å; N627-H655 PolarHBondContact ND2-O 2.84Å; N653-H655 PolarHBondContact O-N 3.48Å; H655-L657 HydrophobicContact CB-CD2 4.24Å; H655-L657 PolarHBondContact O-N 3.26Å; H655-K687 HydrophobicContact CB-CG 4.37Å
656K93.6Very high77.1Confident151 Ų15182.3 Ų82.366%0.65749%0.488SS*.PPolyproline II helixtrans-76.3121.1169.5-67-179.1-175.9171.30109.1K687 M688K656-K687 WeakPolarHBondContact O-CA 3.09Å; K656-M688 HydrophobicContact CB-CB 4.2Å; K656-M688 HydrophobicContact CB-CG 4.14Å; K656-M688 HydrophobicContact CB-SD 4.02Å; K656-M688 PolarHBondContact O-N 3.23Å
657L95.9Very high79.1Confident1 Ų182.6 Ų82.61%0.00548%0.478CS..EExtended strand (participates in β ladder)trans-108.7153.2-174.7-59.2179.8000111.9Y624 L625 N627 M629 H655 L670 I685 C686Y624-L657 HydrophobicContact CD1-CD1 4.04Å; Y624-L657 HydrophobicContact CD1-CD2 4.1Å; Y624-L657 HydrophobicContact CE1-CD2 4.1Å; L625-L657 HydrophobicContact CD1-CD2 4.25Å; N627-L657 HydrophobicContact CB-CD1 3.73Å; N627-L657 WeakPolarHBondContact ND2-CD1 3.48Å; M629-L657 HydrophobicContact SD-CD1 4.16Å; H655-L657 HydrophobicContact CB-CD2 4.24Å; H655-L657 PolarHBondContact O-N 3.26Å; L657-L670 HydrophobicContact CB-CB 4.42Å; L657-L670 HydrophobicContact CB-CD1 4.07Å; L657-L670 PolarHBondContact O-N 2.64Å; L657-I685 HydrophobicContact CB-CG2 3.99Å; L657-I685 HydrophobicContact CD1-CG2 3.97Å; L657-I685 HydrophobicContact CD2-CG2 4.3Å; L657-I685 HydrophobicContact CG-CG2 4.31Å; L657-C686 CarbonylContact C-O 3.52Å; L657-C686 WeakPolarHBondContact CA-O 3.42Å
658Q97.2Very high81.2Confident22 Ų2282.3 Ų82.310%0.10346%0.463CS..EExtended strand (participates in β ladder)trans-138.2149.9169.763-173.2-900110.3V660 I668 I685 C686 K687 M688Q658-V660 HydrophobicContact CG-CG2 4.19Å; Q658-I668 CarbonylContact C-O 3.52Å; Q658-I668 VanDerWaalsContact CA-O 3.28Å; Q658-I668 WeakPolarHBondContact CA-O 3.5Å; Q658-I685 WeakPolarHBondContact O-CA 3.43Å; Q658-C686 PolarHBondContact N-O 3.16Å; Q658-C686 PolarHBondContact O-N 2.95Å; Q658-K687 PolarHBondContact NE2-O 3.38Å; Q658-M688 HydrophobicContact CB-CG 3.97Å; Q658-M688 HydrophobicContact CG-CG 4.22Å
659V97.7Very high83.9Confident0 Ų073.6 Ų73.60%044%0.437CS..EExtended strand (participates in β ladder)trans-85.1133.8166.2178.10000108.6F606 L661 K667 I668 L670 F678 C684 I685F606-V659 HydrophobicContact CE1-CG1 4.13Å; F606-V659 HydrophobicContact CZ-CG1 3.75Å; V659-L661 HydrophobicContact CG1-CD2 3.68Å; V659-L661 HydrophobicContact CG1-CG 4.25Å; V659-K667 CarbonylContact O-C 3.53Å; V659-K667 WeakPolarHBondContact O-CA 3.23Å; V659-I668 HydrophobicContact CB-CB 4.49Å; V659-I668 PolarHBondContact N-O 2.92Å; V659-I668 PolarHBondContact O-N 3.49Å; V659-L670 HydrophobicContact CG2-CD1 3.99Å; V659-L670 HydrophobicContact CG2-CD2 3.87Å; V659-L670 HydrophobicContact CG2-CG 4.01Å; V659-F678 HydrophobicContact CG1-CD1 4.45Å; V659-F678 HydrophobicContact CG1-CE1 3.99Å; V659-F678 HydrophobicContact CG1-CZ 4.13Å; V659-F678 HydrophobicContact CG2-CE1 4.25Å; V659-C684 CarbonylContact C-O 3.48Å; V659-C684 WeakPolarHBondContact CA-O 3.33Å; V659-I685 HydrophobicContact CG2-CG1 4.22Å
660V97.3Very high86.5Confident32 Ų3269.8 Ų69.819%0.19440%0.404CS..EExtended strand (participates in β ladder)trans-119.5115.7171.3-1740000108.7Q658 A666 K667 G683 C684Q658-V660 HydrophobicContact CG-CG2 4.19Å; V660-A666 WeakPolarHBondContact CA-O 3.49Å; V660-K667 HydrophobicContact CG1-CG 4.34Å; V660-K667 HydrophobicContact CG2-CG 4.16Å; V660-G683 CarbonylContact O-C 3.49Å; V660-G683 WeakPolarHBondContact O-CA 3.43Å; V660-C684 PolarHBondContact N-O 2.79Å; V660-C684 PolarHBondContact O-N 3.36Å
661L97.3Very high88.6Confident6 Ų673 Ų733%0.03140%0.404CS..EExtended strand (participates in β ladder)trans-88.3136-177.8-62.4-176.4000111.4F606 V659 S664 G665 A666 I668 F678 E681F606-L661 HydrophobicContact CE2-CD2 4.42Å; F606-L661 HydrophobicContact CZ-CD2 4.13Å; V659-L661 HydrophobicContact CG1-CD2 3.68Å; V659-L661 HydrophobicContact CG1-CG 4.25Å; L661-S664 WeakPolarHBondContact CB-OG 3.29Å; L661-G665 WeakPolarHBondContact O-CA 3.19Å; L661-G665 PolarHBondContact O-N 3.4Å; L661-A666 HydrophobicContact CD1-CB 4.27Å; L661-A666 PolarHBondContact N-O 3.39Å; L661-I668 HydrophobicContact CD1-CD1 4.38Å; L661-F678 HydrophobicContact CD1-CB 3.72Å; L661-F678 HydrophobicContact CD1-CD2 4.3Å; L661-F678 HydrophobicContact CD1-CG 4.14Å; L661-F678 HydrophobicContact CD2-CB 4.37Å; L661-F678 HydrophobicContact CD2-CD1 4.49Å; L661-F678 HydrophobicContact CD2-CD2 3.44Å; L661-F678 VanDerWaalsContact CD2-CD2 3.44Å; L661-F678 HydrophobicContact CD2-CE2 3.74Å; L661-F678 HydrophobicContact CD2-CG 3.86Å; L661-F678 HydrophobicContact CD2-CZ 4.39Å; L661-E681 HydrophobicContact CB-CG 4.47Å; L661-E681 WeakPolarHBondContact CB-OE2 3.35Å; L661-E681 HydrophobicContact CD2-CG 4.22Å
662K94.1Very high91Very high175 Ų17567.7 Ų67.776%0.76138%0.379SS*.THydrogen-bonded Turntrans-73.6-41.4-172.2-172.9177.2179.4178.50112.8A682K662-A682 HydrophobicContact CB-CB 4.36Å; K662-A682 WeakPolarHBondContact CB-O 3.33Å; K662-A682 HydrophobicContact CD-CB 4.23Å; K662-A682 PolarHBondContact N-O 3.47Å
663A91.7Very high92.8Very high87 Ų8764.9 Ų64.972%0.71937%0.37SS*.THydrogen-bonded Turntrans-80.3-42.6-174.800000111.7E681A663-E681 WeakPolarHBondContact CA-OE2 3.34Å; A663-E681 WeakPolarHBondContact CB-OE2 3.48Å; A663-E681 PolarHBondContact N-OE2 3.44Å
664S91.2Very high94.1Very high72 Ų7263.9 Ų63.950%0.50336%0.361SS..THydrogen-bonded Turntrans-87.5-21.4-179.562.20000114.5L661 A666 E681L661-S664 WeakPolarHBondContact CB-OG 3.29Å; S664-A666 PolarHBondContact O-N 2.92Å; S664-A666 WeakPolarHBondContact OG-CB 3.4Å; S664-A666 PolarHBondContact OG-N 3.44Å; S664-E681 PolarHBondContact N-OE2 3.18Å
665G91.2Very high94.8Very high47 Ų4765.1 Ų65.149%0.48537%0.369SS..  trans68.57.4-170.100000113.9L661 K667L661-G665 WeakPolarHBondContact O-CA 3.19Å; L661-G665 PolarHBondContact O-N 3.4Å; G665-K667 PolarHBondContact O-N 2.88Å
666A93.9Very high95.2Very high37 Ų3762.9 Ų62.931%0.30636%0.359SS..  trans-63.7133.9-177.700000110.8V660 L661 S664V660-A666 WeakPolarHBondContact CA-O 3.49Å; L661-A666 HydrophobicContact CD1-CB 4.27Å; L661-A666 PolarHBondContact N-O 3.39Å; S664-A666 PolarHBondContact O-N 2.92Å; S664-A666 WeakPolarHBondContact OG-CB 3.4Å; S664-A666 PolarHBondContact OG-N 3.44Å
667K96.3Very high95.4Very high143 Ų14359.5 Ų59.562%0.62235%0.352SS*.EExtended strand (participates in β ladder)trans-109.8115.2174.5-58.9-171.9-179.2-177.20109.1V659 V660 G665V659-K667 CarbonylContact O-C 3.53Å; V659-K667 WeakPolarHBondContact O-CA 3.23Å; V660-K667 HydrophobicContact CG1-CG 4.34Å; V660-K667 HydrophobicContact CG2-CG 4.16Å; G665-K667 PolarHBondContact O-N 2.88Å
668I96.7Very high95.5Very high48 Ų4859.8 Ų59.825%0.24635%0.353CS..EExtended strand (participates in β ladder)trans-120.3108.6-173.3-46.9173000108.9Q658 V659 L661 L670 V676Q658-I668 CarbonylContact C-O 3.52Å; Q658-I668 VanDerWaalsContact CA-O 3.28Å; Q658-I668 WeakPolarHBondContact CA-O 3.5Å; V659-I668 HydrophobicContact CB-CB 4.49Å; V659-I668 PolarHBondContact N-O 2.92Å; V659-I668 PolarHBondContact O-N 3.49Å; L661-I668 HydrophobicContact CD1-CD1 4.38Å; I668-L670 PolarHBondContact O-N 3.14Å; I668-V676 HydrophobicContact CB-CG1 4.12Å; I668-V676 HydrophobicContact CD1-CG1 4.12Å; I668-V676 HydrophobicContact CG2-CB 4.45Å; I668-V676 HydrophobicContact CG2-CG1 3.54Å; I668-V676 HydrophobicContact CG2-CG2 4.01Å
669P96.6Very high95.4Very high55 Ų5562.6 Ų62.636%0.35737%0.373SS..EExtended strand (participates in β ladder)trans-60.6134176.4-24.635000112.1M688P669-M688 HydrophobicContact CB-CE 3.98Å; P669-M688 HydrophobicContact CB-SD 3.97Å; P669-M688 HydrophobicContact CG-CE 3.84Å; P669-M688 HydrophobicContact CG-SD 4.47Å
670L95.9Very high95.3Very high10 Ų1066.4 Ų66.45%0.05239%0.388CS..  trans-88.9114.1173.4-68.6171.2000109.1M629 V640 L642 L657 V659 I668 V676 I685M629-L670 HydrophobicContact SD-CD1 4.14Å; V640-L670 HydrophobicContact CB-CD2 4.36Å; V640-L670 HydrophobicContact CG1-CD2 4.15Å; L642-L670 HydrophobicContact CB-CB 4.36Å; L642-L670 HydrophobicContact CD2-CB 4.28Å; L657-L670 HydrophobicContact CB-CB 4.42Å; L657-L670 HydrophobicContact CB-CD1 4.07Å; L657-L670 PolarHBondContact O-N 2.64Å; V659-L670 HydrophobicContact CG2-CD1 3.99Å; V659-L670 HydrophobicContact CG2-CD2 3.87Å; V659-L670 HydrophobicContact CG2-CG 4.01Å; I668-L670 PolarHBondContact O-N 3.14Å; L670-V676 HydrophobicContact CD2-CB 4.02Å; L670-V676 HydrophobicContact CD2-CG2 3.91Å; L670-I685 HydrophobicContact CD1-CD1 3.84Å; L670-I685 HydrophobicContact CD1-CG1 4.42Å; L670-I685 HydrophobicContact CD1-CG2 4.19Å
671K94.3Very high95.2Very high118 Ų11866.8 Ų66.851%0.51339%0.387SS..  trans-103.8135.8176-68176.1-177.8174.20109.4G673 Q674K671-G673 PolarHBondContact O-N 3.2Å; K671-Q674 HydrophobicContact CB-CB 4.15Å; K671-Q674 HydrophobicContact CB-CG 4.17Å; K671-Q674 VanDerWaalsContact CD-OE1 3.29Å; K671-Q674 PolarHBondContact O-N 2.78Å; K671-Q674 VanDerWaalsContact O-N 3.08Å
672P94.2Very high95.2Very high72 Ų7268.1 Ų68.147%0.46840%0.399SS..THydrogen-bonded Turntrans-53.1135.6178-2734.9000112.2L642 E644 Q674L642-P672 HydrophobicContact CD2-CG 3.92Å; L642-P672 HydrophobicContact CG-CG 4.37Å; L642-P672 CarbonylContact O-C 3.56Å; L642-P672 WeakPolarHBondContact O-CA 2.96Å; E644-P672 HydrophobicContact CG-CB 4.43Å; P672-Q674 PolarHBondContact O-N 2.89Å; P672-Q674 VanDerWaalsContact O-N 3.17Å
673G93.7Very high95.3Very high38 Ų3860.3 Ų60.339%0.39237%0.368SS..THydrogen-bonded Turntrans73.4-7.7-179.400000115.5L642 K671L642-G673 PolarHBondContact O-N 3.39Å; K671-G673 PolarHBondContact O-N 3.2Å
674Q95.7Very high95.6Very high107 Ų10757.5 Ų57.550%0.534%0.343SS..  trans-100.3120.3-178.5-61.4-169.5-5.700110.9K671 P672K671-Q674 HydrophobicContact CB-CB 4.15Å; K671-Q674 HydrophobicContact CB-CG 4.17Å; K671-Q674 VanDerWaalsContact CD-OE1 3.29Å; K671-Q674 PolarHBondContact O-N 2.78Å; K671-Q674 VanDerWaalsContact O-N 3.08Å; P672-Q674 PolarHBondContact O-N 2.89Å; P672-Q674 VanDerWaalsContact O-N 3.17Å
675P97.1Very high95.9Very high83 Ų8354 Ų5454%0.53932%0.319SS..EExtended strand (participates in β ladder)trans-69.6138.4175.228.3-33.3000111.2I641I641-P675 HydrophobicContact CD1-CB 4.23Å; I641-P675 HydrophobicContact CG1-CB 3.91Å
676V97.6Very high96.2Very high16 Ų1652.9 Ų52.910%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-116.3115.7170.9170.50000108C639 V640 I668 L670 F678C639-V676 CarbonylContact C-O 3.56Å; C639-V676 WeakPolarHBondContact CA-O 3.27Å; V640-V676 PolarHBondContact N-O 3.01Å; V640-V676 PolarHBondContact O-N 3.13Å; I668-V676 HydrophobicContact CB-CG1 4.12Å; I668-V676 HydrophobicContact CD1-CG1 4.12Å; I668-V676 HydrophobicContact CG2-CB 4.45Å; I668-V676 HydrophobicContact CG2-CG1 3.54Å; I668-V676 HydrophobicContact CG2-CG2 4.01Å; L670-V676 HydrophobicContact CD2-CB 4.02Å; L670-V676 HydrophobicContact CD2-CG2 3.91Å; V676-F678 HydrophobicContact CG1-CD1 4.03Å; V676-F678 HydrophobicContact CG1-CE1 4.4Å
677T97.9Very high96.2Very high80 Ų8052.3 Ų52.349%0.49129%0.293SS..EExtended strand (participates in β ladder)trans-112.1134.6178.6-52.40000110.4D637 V638 C639D637-T677 HydrophobicContact CB-CG2 3.88Å; V638-T677 VanDerWaalsContact O-CA 3.3Å; V638-T677 WeakPolarHBondContact O-CA 3.39Å; C639-T677 PolarHBondContact SG-OG1 2.83Å
678F97.3Very high95.9Very high8 Ų848.7 Ų48.74%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-143.4159.6178.948.8-89.3000110.8F606 W631 D637 V638 V640 V659 L661 V676F606-F678 AromaticContact CE2-CE2 3.71Å; F606-F678 HydrophobicContact CE2-CE2 3.71Å; F606-F678 HydrophobicContact CE2-CZ 4.04Å; F606-F678 AromaticContact CZ-CE2 3.91Å; F606-F678 HydrophobicContact CZ-CE2 3.91Å; F606-F678 AromaticContact CZ-CZ 3.86Å; F606-F678 HydrophobicContact CZ-CZ 3.86Å; W631-F678 HydrophobicContact CZ3-CZ 4.29Å; D637-F678 WeakPolarHBondContact CA-O 3.22Å; D637-F678 WeakPolarHBondContact CB-O 3.45Å; V638-F678 HydrophobicContact CB-CD2 4.19Å; V638-F678 HydrophobicContact CB-CE2 3.68Å; V638-F678 HydrophobicContact CB-CZ 3.91Å; V638-F678 HydrophobicContact CG1-CE1 4.47Å; V638-F678 HydrophobicContact CG1-CE2 4Å; V638-F678 HydrophobicContact CG1-CZ 3.75Å; V638-F678 HydrophobicContact CG2-CE2 4.39Å; V638-F678 PolarHBondContact N-O 3.17Å; V638-F678 PolarHBondContact O-N 3.1Å; V640-F678 HydrophobicContact CG2-CE1 3.84Å; V640-F678 HydrophobicContact CG2-CZ 3.98Å; V659-F678 HydrophobicContact CG1-CD1 4.45Å; V659-F678 HydrophobicContact CG1-CE1 3.99Å; V659-F678 HydrophobicContact CG1-CZ 4.13Å; V659-F678 HydrophobicContact CG2-CE1 4.25Å; L661-F678 HydrophobicContact CD1-CB 3.72Å; L661-F678 HydrophobicContact CD1-CD2 4.3Å; L661-F678 HydrophobicContact CD1-CG 4.14Å; L661-F678 HydrophobicContact CD2-CB 4.37Å; L661-F678 HydrophobicContact CD2-CD1 4.49Å; L661-F678 HydrophobicContact CD2-CD2 3.44Å; L661-F678 VanDerWaalsContact CD2-CD2 3.44Å; L661-F678 HydrophobicContact CD2-CE2 3.74Å; L661-F678 HydrophobicContact CD2-CG 3.86Å; L661-F678 HydrophobicContact CD2-CZ 4.39Å; V676-F678 HydrophobicContact CG1-CD1 4.03Å; V676-F678 HydrophobicContact CG1-CE1 4.4Å
679P96.4Very high94.7Very high81 Ų8152.3 Ų52.353%0.52630%0.3SS..EExtended strand (participates in β ladder)trans-54.4147.6174.5-24.534.8000111.6E681P679-E681 PolarHBondContact O-N 3.07Å
680R94.7Very high92.7Very high80 Ų8054.3 Ų54.330%0.30231%0.312SS..SBendtrans-67.493.1176.6-173.617258.9115.6-7.2110.8P608 R634 K635 D636 V638P608-R680 HydrophobicContact CB-CG 4.11Å; P608-R680 HydrophobicContact CG-CG 3.76Å; R634-R680 WeakPolarHBondContact O-CD 3.41Å; K635-R680 PolarHBondContact O-NE 3.29Å; K635-R680 PolarHBondContact O-NH2 2.88Å; D636-R680 PolarHBondContact O-N 2.83Å; V638-R680 HydrophobicContact CG2-CB 4.24Å; V638-R680 HydrophobicContact CG2-CG 4.1Å
681E95.1Very high90.3Very high40 Ų4057.8 Ų57.819%0.18734%0.336CS..  trans-139.1167.817668.1177.182.200111F606 L661 A663 S664 P679F606-E681 WeakPolarHBondContact CE2-O 3.44Å; L661-E681 HydrophobicContact CB-CG 4.47Å; L661-E681 WeakPolarHBondContact CB-OE2 3.35Å; L661-E681 HydrophobicContact CD2-CG 4.22Å; A663-E681 WeakPolarHBondContact CA-OE2 3.34Å; A663-E681 WeakPolarHBondContact CB-OE2 3.48Å; A663-E681 PolarHBondContact N-OE2 3.44Å; S664-E681 PolarHBondContact N-OE2 3.18Å; P679-E681 PolarHBondContact O-N 3.07Å
682A97.2Very high87.6Confident34 Ų3457.9 Ų57.928%0.28135%0.351SS..  trans-72.2151.517500000111.9F606 A607 K662F606-A682 CarbonylContact O-C 3.56Å; F606-A682 VanDerWaalsContact O-CA 3.3Å; F606-A682 WeakPolarHBondContact O-CA 3.15Å; A607-A682 HydrophobicContact CB-CB 4.09Å; K662-A682 HydrophobicContact CB-CB 4.36Å; K662-A682 WeakPolarHBondContact CB-O 3.33Å; K662-A682 HydrophobicContact CD-CB 4.23Å; K662-A682 PolarHBondContact N-O 3.47Å
683G97.8Very high84.7Confident11 Ų1158.9 Ų58.911%0.11336%0.36CS..EExtended strand (participates in β ladder)trans-172.9-164.5179.300000112.2A605 F606 V660A605-G683 WeakPolarHBondContact CA-O 3.49Å; F606-G683 VanDerWaalsContact CE1-C 3.46Å; F606-G683 PolarHBondContact N-O 3.16Å; F606-G683 PolarHBondContact O-N 3.5Å; F606-G683 VanDerWaalsContact O-O 3.13Å; V660-G683 CarbonylContact O-C 3.49Å; V660-G683 WeakPolarHBondContact O-CA 3.43Å
684C97.8Very high81.7Confident27 Ų2762.7 Ų62.718%0.18238%0.379CS..EExtended strand (participates in β ladder)trans-147.8157.8171.168.80000112.7C603 L604 A605 F606 V659 V660C603-C684 HydrophobicContact CB-CB 3.84Å; L604-C684 CarbonylContact O-C 2.92Å; L604-C684 VanDerWaalsContact O-CA 3.3Å; L604-C684 WeakPolarHBondContact O-CA 3.33Å; A605-C684 HydrophobicContact CB-CB 4.24Å; F606-C684 VanDerWaalsContact CE1-N 3.31Å; V659-C684 CarbonylContact C-O 3.48Å; V659-C684 WeakPolarHBondContact CA-O 3.33Å; V660-C684 PolarHBondContact N-O 2.79Å; V660-C684 PolarHBondContact O-N 3.36Å
685I97.8Very high78.5Confident0 Ų068.7 Ų68.70%040%0.397CS..EExtended strand (participates in β ladder)trans-99.6125.2165.4-62.9-168.6000108.5C603 L604 F606 Y624 M629 W631 V640 L657 Q658 V659 L670C603-I685 CarbonylContact C-O 3.47Å; C603-I685 VanDerWaalsContact CA-O 3.26Å; C603-I685 WeakPolarHBondContact CA-O 3.17Å; C603-I685 WeakPolarHBondContact CB-O 3.02Å; L604-I685 HydrophobicContact CB-CB 4.39Å; L604-I685 PolarHBondContact N-O 3.11Å; L604-I685 PolarHBondContact O-N 3.49Å; F606-I685 HydrophobicContact CE1-CG1 4.23Å; Y624-I685 HydrophobicContact CD1-CG2 4Å; Y624-I685 HydrophobicContact CE1-CG2 4.13Å; M629-I685 HydrophobicContact CE-CD1 3.93Å; M629-I685 HydrophobicContact SD-CD1 3.44Å; M629-I685 WeakPolarHBondContact SD-CD1 3Å; M629-I685 HydrophobicContact SD-CG2 4.46Å; W631-I685 HydrophobicContact CH2-CD1 4.04Å; W631-I685 HydrophobicContact CH2-CG1 4.37Å; W631-I685 HydrophobicContact CZ2-CD1 3.34Å; W631-I685 HydrophobicContact CZ2-CG1 4.06Å; V640-I685 HydrophobicContact CG1-CD1 4.44Å; L657-I685 HydrophobicContact CB-CG2 3.99Å; L657-I685 HydrophobicContact CD1-CG2 3.97Å; L657-I685 HydrophobicContact CD2-CG2 4.3Å; L657-I685 HydrophobicContact CG-CG2 4.31Å; Q658-I685 WeakPolarHBondContact O-CA 3.43Å; V659-I685 HydrophobicContact CG2-CG1 4.22Å; L670-I685 HydrophobicContact CD1-CD1 3.84Å; L670-I685 HydrophobicContact CD1-CG1 4.42Å; L670-I685 HydrophobicContact CD1-CG2 4.19Å
686C96.2Very high75.2Confident23 Ų2370.1 Ų70.116%0.15541%0.407CS..EExtended strand (participates in β ladder)trans-139.9170.3179.4680000112.1C603 L657 Q658C603-C686 HydrophobicContact CB-CB 3.94Å; L657-C686 CarbonylContact C-O 3.52Å; L657-C686 WeakPolarHBondContact CA-O 3.42Å; Q658-C686 PolarHBondContact N-O 3.16Å; Q658-C686 PolarHBondContact O-N 2.95Å
687K95Very high71.9Confident24 Ų2481.3 Ų81.310%0.10447%0.465CS..EExtended strand (participates in β ladder)trans-64.1140.5174.9-65.8175.1-71-157.30110.2E381 E602 L625 H655 K656 Q658E381-K687 IonicContact OE1-NZ 3.63Å; E381-K687 PolarHBondContact OE1-NZ 3.09Å; E381-K687 IonicContact OE2-NZ 2.97Å; E602-K687 IonicContact OE2-NZ 3.35Å; L625-K687 HydrophobicContact CD1-CD 4Å; L625-K687 HydrophobicContact CD1-CG 3.72Å; H655-K687 HydrophobicContact CB-CG 4.37Å; K656-K687 WeakPolarHBondContact O-CA 3.09Å; Q658-K687 PolarHBondContact NE2-O 3.38Å
688M88.4Confident70.6Confident67 Ų6781.4 Ų81.433%0.3346%0.464SS..SBendtrans-66.1-41.4176.7-75.9-170.770.400112.6K656 Q658 P669K656-M688 HydrophobicContact CB-CB 4.2Å; K656-M688 HydrophobicContact CB-CG 4.14Å; K656-M688 HydrophobicContact CB-SD 4.02Å; K656-M688 PolarHBondContact O-N 3.23Å; Q658-M688 HydrophobicContact CB-CG 3.97Å; Q658-M688 HydrophobicContact CG-CG 4.22Å; P669-M688 HydrophobicContact CB-CE 3.98Å; P669-M688 HydrophobicContact CB-SD 3.97Å; P669-M688 HydrophobicContact CG-CE 3.84Å; P669-M688 HydrophobicContact CG-SD 4.47Å
689D71.5Confident69.2Low125 Ų12585.3 Ų85.367%0.66849%0.486SS*.SBendtrans-11398.3177.1-57.7-48.8000106.9
690P56.2Low67.6Low96 Ų9685.5 Ų85.562%0.62348%0.484SS*.  trans-59.6144.1170.824.5-30000108.1S692P690-S692 PolarHBondContact O-N 3.37Å; P690-S692 VanDerWaalsContact O-N 3.11Å
691P45.3Very low66.1Low84 Ų8485.8 Ų85.855%0.54550%0.495SS..  trans-51.7127.5173.421.3-31.1000108.3S693P691-S693 PolarHBondContact O-N 2.89Å
692S36.6Very low64.2Low119 Ų11988.7 Ų88.783%0.83251%0.514SS*.  trans-65.479.1175.154.20000109.3P690 C694P690-S692 PolarHBondContact O-N 3.37Å; P690-S692 VanDerWaalsContact O-N 3.11Å; S692-C694 PolarHBondContact O-N 3.14Å
693S33.3Very low62Low94 Ų9492.3 Ų92.366%0.65753%0.53SS*.  trans-86.998.2162.460.60000107.3P691 W695P691-S693 PolarHBondContact O-N 2.89Å; S693-W695 PolarHBondContact O-N 3.08Å; S693-W695 VanDerWaalsContact O-N 3.07Å
694C31.8Very low59.5Low118 Ų11898.1 Ų98.180%0.79756%0.559SS**  trans-48.7108.7159.3-62.30000109.7S692S692-C694 PolarHBondContact O-N 3.14Å
695W27.1Very low56.5Low232 Ų232103.6 Ų103.688%0.87959%0.588SS**  trans-143.6142.8152.3-8194.3000109.5S693S693-W695 PolarHBondContact O-N 3.08Å; S693-W695 VanDerWaalsContact O-N 3.07Å
696P27.9Very low53.1Low114 Ų114112.3 Ų112.374%0.7464%0.637SS**  trans-77.4156.9-176.526.9-17.4000111.8
697L28.1Very low49.2Very low251 Ų251120.4 Ų120.4100%1.31468%0.681SS**  trans-35.90179.7-74.3155.6000117.1

Retrieved 697 of 697 residues in 1596.8 ms (Link to these results)

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