A0A096MGZ4_POEFO Loading...

Charged multivesicular body protein 7

AlphaFold DB , UniProt , Accession A0A096MGZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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
1M30.6Very low54Low243 Ų243113.2 Ų113.2100%1.19766%0.657SS**  099.60-71.8-16816800106.9T3M1-T3 PolarHBondContact O-N 3.19Å
2S32.2Very low56.4Low116 Ų116109.1 Ų109.181%0.81163%0.628SS**  trans-81.2120-170.9-54.40000109.4T4S2-T4 PolarHBondContact O-N 3.35Å
3T29.6Very low58.9Low141 Ų141102.3 Ų102.387%0.86559%0.585SS**  trans-57.3101.617133.40000108.6M1 S5M1-T3 PolarHBondContact O-N 3.19Å; T3-S5 VanDerWaalsContact C-N 3.33Å; T3-S5 PolarHBondContact O-N 2.9Å
4T37.9Very low60.8Low124 Ų124104.9 Ų104.976%0.76160%0.597SS**  trans-68.9100.3166.9-50.40000104.5S2 E6S2-T4 PolarHBondContact O-N 3.35Å; T4-E6 PolarHBondContact O-N 3.43Å
5S40.6Very low62.9Low95 Ų95102.9 Ų102.966%0.66458%0.583SS**  trans-48.4111.1169.8174.90000106.6T3 M7T3-S5 VanDerWaalsContact C-N 3.33Å; T3-S5 PolarHBondContact O-N 2.9Å; S5-M7 PolarHBondContact O-N 2.8Å
6E46.6Very low64.6Low183 Ų183100.6 Ų100.686%0.85557%0.569SS**  trans-55.4106.8-179.2-83.5-175.3150.500107.5T4 S8T4-E6 PolarHBondContact O-N 3.43Å; E6-S8 PolarHBondContact O-N 2.91Å
7M61.1Low66.1Low78 Ų78104.4 Ų104.438%0.38458%0.581SS.*  trans-59.9112.1169.8-67.5-174.8-149.400106S5 L9 T68S5-M7 PolarHBondContact O-N 2.8Å; M7-L9 HydrophobicContact CB-CD1 4.49Å; M7-L9 HydrophobicContact CB-CD2 4.27Å; M7-L9 HydrophobicContact CB-CG 3.99Å; M7-L9 PolarHBondContact O-N 3.16Å; M7-T68 HydrophobicContact CE-CG2 3.76Å; M7-T68 HydrophobicContact SD-CG2 3.61Å
8S69.3Low67.5Low77 Ų77103.9 Ų103.954%0.53857%0.569SS.*  trans-68.877.8169.1720000108.1E6 R54E6-S8 PolarHBondContact O-N 2.91Å; S8-R54 PolarHBondContact O-NH2 3.44Å
9L81.6Confident68.8Low52 Ų5298.5 Ų98.527%0.27254%0.539SS..  trans-66.3153.6174.8-65.4165.4000108.3M7 W13 L47M7-L9 HydrophobicContact CB-CD1 4.49Å; M7-L9 HydrophobicContact CB-CD2 4.27Å; M7-L9 HydrophobicContact CB-CG 3.99Å; M7-L9 PolarHBondContact O-N 3.16Å; L9-W13 HydrophobicContact CB-CB 3.82Å; L9-W13 HydrophobicContact CB-CD2 4.05Å; L9-W13 HydrophobicContact CB-CE3 4.48Å; L9-W13 HydrophobicContact CB-CG 3.74Å; L9-W13 HydrophobicContact CD1-CD2 3.86Å; L9-W13 HydrophobicContact CD1-CG 3.85Å; L9-W13 HydrophobicContact CD1-CZ2 4.21Å; L9-W13 HydrophobicContact CD2-CD2 4.27Å; L9-W13 HydrophobicContact CD2-CE3 4.31Å; L9-W13 HydrophobicContact CG-CD2 4.27Å; L9-W13 HydrophobicContact CG-CG 4.3Å; L9-L47 HydrophobicContact CD2-CD1 4.42Å
10P83.5Confident70Confident18 Ų1898 Ų9812%0.11754%0.536CS..  trans-54.3150.5178.7-24.133.9000111.2E12 W13 F43 L47P10-E12 HydrophobicContact CB-CB 4.36Å; P10-E12 PolarHBondContact O-N 3.29Å; P10-E12 VanDerWaalsContact O-N 3.07Å; P10-W13 WeakPolarHBondContact O-CB 3.33Å; P10-W13 PolarHBondContact O-N 3.49Å; P10-F43 HydrophobicContact CG-CE2 4.37Å; P10-L47 HydrophobicContact CG-CD1 3.88Å
11P81.1Confident71Confident118 Ų11896.6 Ų96.677%0.76653%0.525SS*.G310 helixtrans-53.1-33.3176.3-26.434.5000113W13 N14P11-W13 PolarHBondContact O-N 2.7Å; P11-W13 VanDerWaalsContact O-N 3.11Å; P11-N14 PolarHBondContact O-N 2.89Å
12E83.2Confident73.9Confident64 Ų6485.2 Ų85.230%0.29947%0.469SS..G310 helixtrans-55.7-21.6173.6-58.7171.9-175.500113.6P10 N14 D15 R18 M19 F43P10-E12 HydrophobicContact CB-CB 4.36Å; P10-E12 PolarHBondContact O-N 3.29Å; P10-E12 VanDerWaalsContact O-N 3.07Å; E12-N14 PolarHBondContact O-N 2.92Å; E12-D15 WeakPolarHBondContact O-CB 3.49Å; E12-D15 PolarHBondContact O-N 2.99Å; E12-D15 VanDerWaalsContact O-N 3.1Å; E12-R18 VanDerWaalsContact CD-NE 3.27Å; E12-R18 IonicContact OE1-CZ 3.94Å; E12-R18 VanDerWaalsContact OE1-CZ 3.31Å; E12-R18 IonicContact OE1-NE 3.74Å; E12-R18 IonicContact OE1-NH1 2.75Å; E12-R18 IonicContact OE1-NH2 3.65Å; E12-R18 PolarHBondContact OE1-NH2 3.22Å; E12-R18 IonicContact OE2-CZ 2.89Å; E12-R18 IonicContact OE2-NE 3.29Å; E12-R18 PolarHBondContact OE2-NE 3.31Å; E12-R18 IonicContact OE2-NH2 3.64Å; E12-R18 PolarHBondContact OE2-NH2 2.98Å; E12-M19 WeakPolarHBondContact O-CG 3.27Å; E12-F43 WeakPolarHBondContact OE2-CE2 3.41Å
13W87.9Confident76.9Confident21 Ų2180.5 Ų80.58%0.0843%0.433CS..G310 helixtrans-65-21.8178.7-159.1-93.4000113.4L9 P10 P11 M19 F23 F43 W44 L47 F69 R71L9-W13 HydrophobicContact CB-CB 3.82Å; L9-W13 HydrophobicContact CB-CD2 4.05Å; L9-W13 HydrophobicContact CB-CE3 4.48Å; L9-W13 HydrophobicContact CB-CG 3.74Å; L9-W13 HydrophobicContact CD1-CD2 3.86Å; L9-W13 HydrophobicContact CD1-CG 3.85Å; L9-W13 HydrophobicContact CD1-CZ2 4.21Å; L9-W13 HydrophobicContact CD2-CD2 4.27Å; L9-W13 HydrophobicContact CD2-CE3 4.31Å; L9-W13 HydrophobicContact CG-CD2 4.27Å; L9-W13 HydrophobicContact CG-CG 4.3Å; P10-W13 WeakPolarHBondContact O-CB 3.33Å; P10-W13 PolarHBondContact O-N 3.49Å; P11-W13 PolarHBondContact O-N 2.7Å; P11-W13 VanDerWaalsContact O-N 3.11Å; W13-M19 HydrophobicContact CD2-CE 3.84Å; W13-M19 HydrophobicContact CD2-SD 4.34Å; W13-M19 HydrophobicContact CE3-CE 3.31Å; W13-M19 HydrophobicContact CE3-SD 3.9Å; W13-M19 HydrophobicContact CH2-CE 3.9Å; W13-M19 HydrophobicContact CZ2-CE 4.38Å; W13-M19 HydrophobicContact CZ3-CE 3.34Å; W13-M19 HydrophobicContact CZ3-SD 4.44Å; W13-F23 AromaticContact CH2-CE2 3.88Å; W13-F23 HydrophobicContact CH2-CE2 3.88Å; W13-F23 AromaticContact CH2-CZ 3.93Å; W13-F23 HydrophobicContact CH2-CZ 3.93Å; W13-F23 HydrophobicContact CZ2-CE2 4.33Å; W13-F23 HydrophobicContact CZ2-CZ 4.07Å; W13-F23 HydrophobicContact CZ3-CE2 4.34Å; W13-F43 HydrophobicContact CE3-CZ 4.37Å; W13-F43 HydrophobicContact CZ3-CZ 4.4Å; W13-W44 HydrophobicContact CH2-CH2 4.15Å; W13-W44 HydrophobicContact CH2-CZ3 4.38Å; W13-W44 HydrophobicContact CZ3-CH2 4.05Å; W13-W44 HydrophobicContact CZ3-CZ3 4.2Å; W13-L47 HydrophobicContact CE3-CD2 4.23Å; W13-L47 HydrophobicContact CH2-CD2 4.42Å; W13-L47 HydrophobicContact CZ3-CD2 3.58Å; W13-F69 HydrophobicContact CH2-CB 3.97Å; W13-F69 HydrophobicContact CH2-CD1 4.33Å; W13-F69 HydrophobicContact CH2-CG 4.48Å; W13-R71 HydrophobicContact CZ2-CB 3.96Å; W13-R71 HydrophobicContact CZ2-CG 4.48Å; W13-R71 PolarHBondContact O-NE 3.47Å; W13-R71 PolarHBondContact O-NH2 3.36Å
14N86.4Confident79.8Confident139 Ų13975.9 Ų75.974%0.74341%0.407SS*.G310 helixtrans-87-12176.7-66.4-32.9000113P11 E12 D16P11-N14 PolarHBondContact O-N 2.89Å; E12-N14 PolarHBondContact O-N 2.92Å; N14-D16 PolarHBondContact O-N 3.5Å
15D91.5Very high82.3Confident74 Ų7476.3 Ų76.340%0.39640%0.4SS..  trans-83.3109.5176.5-179.6-22000109.9E12 E17 R18 M19E12-D15 WeakPolarHBondContact O-CB 3.49Å; E12-D15 PolarHBondContact O-N 2.99Å; E12-D15 VanDerWaalsContact O-N 3.1Å; D15-E17 PolarHBondContact OD1-N 3.38Å; D15-R18 HydrophobicContact CB-CB 3.88Å; D15-R18 PolarHBondContact OD1-N 3.03Å; D15-R18 WeakPolarHBondContact OD2-CB 3.37Å; D15-M19 VanDerWaalsContact O-CB 3.24Å; D15-M19 WeakPolarHBondContact O-CB 3.35Å; D15-M19 WeakPolarHBondContact O-CG 3.5Å; D15-M19 PolarHBondContact O-N 3.29Å
16D90.8Very high84.6Confident67 Ų6772.8 Ų72.836%0.35837%0.373SS..Hα-helixtrans-65.9-38.2-177.5-86.4-24.6000113.9N14 N20 R71 K72N14-D16 PolarHBondContact O-N 3.5Å; D16-N20 VanDerWaalsContact O-CB 3.28Å; D16-N20 WeakPolarHBondContact O-CB 3.5Å; D16-N20 PolarHBondContact O-N 2.88Å; D16-N20 PolarHBondContact O-ND2 3.36Å; D16-R71 IonicContact OD1-CZ 2.75Å; D16-R71 VanDerWaalsContact OD1-CZ 3.22Å; D16-R71 IonicContact OD1-NH1 3.97Å; D16-R71 PolarHBondContact OD1-NH1 2.88Å; D16-R71 IonicContact OD1-NH2 3.41Å; D16-R71 PolarHBondContact OD1-NH2 3.44Å; D16-K72 IonicContact OD1-NZ 3.67Å; D16-K72 PolarHBondContact OD1-NZ 3.18Å; D16-K72 IonicContact OD2-NZ 2.71Å; D16-K72 PolarHBondContact OD2-NZ 3.49Å
17E90.3Very high86.4Confident165 Ų16571 Ų7177%0.77136%0.362SS*.Hα-helixtrans-68.6-48.8-179.5-67.5-175.1175.900110D15 M19 N20 F21D15-E17 PolarHBondContact OD1-N 3.38Å; E17-M19 PolarHBondContact O-N 3.31Å; E17-N20 PolarHBondContact O-N 2.98Å; E17-F21 PolarHBondContact O-N 2.94Å; E17-F21 VanDerWaalsContact O-N 3.09Å
18R90.8Very high86.9Confident96 Ų9677.3 Ų77.336%0.36239%0.391SS..Hα-helixtrans-61-44177-175.8169.6179.5134.83.2111.8E12 D15 F21 M22E12-R18 VanDerWaalsContact CD-NE 3.27Å; E12-R18 IonicContact OE1-CZ 3.94Å; E12-R18 VanDerWaalsContact OE1-CZ 3.31Å; E12-R18 IonicContact OE1-NE 3.74Å; E12-R18 IonicContact OE1-NH1 2.75Å; E12-R18 IonicContact OE1-NH2 3.65Å; E12-R18 PolarHBondContact OE1-NH2 3.22Å; E12-R18 IonicContact OE2-CZ 2.89Å; E12-R18 IonicContact OE2-NE 3.29Å; E12-R18 PolarHBondContact OE2-NE 3.31Å; E12-R18 IonicContact OE2-NH2 3.64Å; E12-R18 PolarHBondContact OE2-NH2 2.98Å; D15-R18 HydrophobicContact CB-CB 3.88Å; D15-R18 PolarHBondContact OD1-N 3.03Å; D15-R18 WeakPolarHBondContact OD2-CB 3.37Å; R18-F21 WeakPolarHBondContact O-CB 3.28Å; R18-F21 PolarHBondContact O-N 3.41Å; R18-M22 WeakPolarHBondContact O-CG 3.37Å; R18-M22 PolarHBondContact O-N 2.91Å
19M92.4Very high87.2Confident1 Ų177.4 Ų77.41%0.00539%0.386CS..Hα-helixtrans-72.6-31.2-179.3-69.7-51-56.100113.2E12 W13 D15 E17 F21 M22 F23 F43 R71E12-M19 WeakPolarHBondContact O-CG 3.27Å; W13-M19 HydrophobicContact CD2-CE 3.84Å; W13-M19 HydrophobicContact CD2-SD 4.34Å; W13-M19 HydrophobicContact CE3-CE 3.31Å; W13-M19 HydrophobicContact CE3-SD 3.9Å; W13-M19 HydrophobicContact CH2-CE 3.9Å; W13-M19 HydrophobicContact CZ2-CE 4.38Å; W13-M19 HydrophobicContact CZ3-CE 3.34Å; W13-M19 HydrophobicContact CZ3-SD 4.44Å; D15-M19 VanDerWaalsContact O-CB 3.24Å; D15-M19 WeakPolarHBondContact O-CB 3.35Å; D15-M19 WeakPolarHBondContact O-CG 3.5Å; D15-M19 PolarHBondContact O-N 3.29Å; E17-M19 PolarHBondContact O-N 3.31Å; M19-F21 VanDerWaalsContact C-N 3.31Å; M19-M22 HydrophobicContact CE-CB 4.33Å; M19-M22 PolarHBondContact O-N 2.89Å; M19-F23 HydrophobicContact CE-CD2 3.68Å; M19-F23 HydrophobicContact CE-CE2 3.23Å; M19-F23 HydrophobicContact CE-CZ 4.3Å; M19-F23 WeakPolarHBondContact O-CB 3.31Å; M19-F23 VanDerWaalsContact O-CD2 3.24Å; M19-F23 WeakPolarHBondContact O-CD2 3.45Å; M19-F23 PolarHBondContact O-N 2.91Å; M19-F43 HydrophobicContact CE-CZ 4.31Å; M19-F43 HydrophobicContact SD-CZ 4.11Å; M19-R71 VanDerWaalsContact CB-NH1 3.31Å
20N92.1Very high87.1Confident88 Ų8879.7 Ų79.747%0.47139%0.391SS..Hα-helixtrans-61.5-42.7170.1-78.7-31000110.9D16 E17 F23 S24D16-N20 VanDerWaalsContact O-CB 3.28Å; D16-N20 WeakPolarHBondContact O-CB 3.5Å; D16-N20 PolarHBondContact O-N 2.88Å; D16-N20 PolarHBondContact O-ND2 3.36Å; E17-N20 PolarHBondContact O-N 2.98Å; N20-F23 PolarHBondContact O-N 2.94Å; N20-S24 PolarHBondContact O-N 2.87Å
21F91.3Very high86.7Confident69 Ų6984.5 Ų84.530%0.30342%0.416SS..Hα-helixtrans-60.8-50.3172.5170.2-98.9000111.5E17 R18 M19 F23 S24 D36 K40E17-F21 PolarHBondContact O-N 2.94Å; E17-F21 VanDerWaalsContact O-N 3.09Å; R18-F21 WeakPolarHBondContact O-CB 3.28Å; R18-F21 PolarHBondContact O-N 3.41Å; M19-F21 VanDerWaalsContact C-N 3.31Å; F21-F23 VanDerWaalsContact C-N 3.28Å; F21-F23 PolarHBondContact O-N 3.08Å; F21-S24 PolarHBondContact O-N 3.36Å; F21-S24 PolarHBondContact O-OG 2.84Å; F21-D36 HydrophobicContact CE2-CB 4.12Å; F21-D36 HydrophobicContact CZ-CB 3.77Å; F21-K40 HydrophobicContact CD1-CG 4.38Å; F21-K40 HydrophobicContact CE1-CD 4.3Å; F21-K40 HydrophobicContact CE1-CG 3.65Å; F21-K40 HydrophobicContact CZ-CD 4.24Å; F21-K40 VanDerWaalsContact CZ-CE 3.5Å; F21-K40 HydrophobicContact CZ-CG 3.93Å; F21-K40 WeakPolarHBondContact O-CE 3.4Å; F21-K40 PolarHBondContact O-NZ 3.49Å
22M92.6Very high86.2Confident4 Ų484.2 Ų84.22%0.0241%0.411CS..Hα-helixtrans-62.5-31.1-178.6-67.9-61.6173.500113.5R18 M19 K40 F43 W44R18-M22 WeakPolarHBondContact O-CG 3.37Å; R18-M22 PolarHBondContact O-N 2.91Å; M19-M22 HydrophobicContact CE-CB 4.33Å; M19-M22 PolarHBondContact O-N 2.89Å; M22-K40 HydrophobicContact SD-CB 4.49Å; M22-K40 HydrophobicContact SD-CG 3.97Å; M22-F43 HydrophobicContact CB-CD1 4.36Å; M22-F43 HydrophobicContact CB-CE1 4.19Å; M22-F43 HydrophobicContact CE-CB 4.1Å; M22-F43 HydrophobicContact CE-CD2 4.34Å; M22-F43 HydrophobicContact CE-CG 4.1Å; M22-F43 HydrophobicContact CG-CD1 4.04Å; M22-F43 HydrophobicContact CG-CE1 4.09Å; M22-F43 HydrophobicContact CG-CG 4.4Å; M22-F43 HydrophobicContact CG-CZ 4.47Å; M22-F43 HydrophobicContact SD-CB 3.96Å; M22-F43 HydrophobicContact SD-CD1 3.76Å; M22-F43 HydrophobicContact SD-CE1 4.41Å; M22-F43 HydrophobicContact SD-CG 3.82Å; M22-W44 HydrophobicContact CB-CZ2 4.04Å; M22-W44 WeakPolarHBondContact O-CZ2 3.47Å; M22-W44 PolarHBondContact O-NE1 3.29Å
23F93.8Very high85.8Confident16 Ų1683.9 Ų83.97%0.0741%0.412CS..Hα-helixtrans-81.4-17.8-180-86.8-129.7000113.9W13 M19 N20 F21 W44 F69 R71 K74 P76 L77W13-F23 AromaticContact CH2-CE2 3.88Å; W13-F23 HydrophobicContact CH2-CE2 3.88Å; W13-F23 AromaticContact CH2-CZ 3.93Å; W13-F23 HydrophobicContact CH2-CZ 3.93Å; W13-F23 HydrophobicContact CZ2-CE2 4.33Å; W13-F23 HydrophobicContact CZ2-CZ 4.07Å; W13-F23 HydrophobicContact CZ3-CE2 4.34Å; M19-F23 HydrophobicContact CE-CD2 3.68Å; M19-F23 HydrophobicContact CE-CE2 3.23Å; M19-F23 HydrophobicContact CE-CZ 4.3Å; M19-F23 WeakPolarHBondContact O-CB 3.31Å; M19-F23 VanDerWaalsContact O-CD2 3.24Å; M19-F23 WeakPolarHBondContact O-CD2 3.45Å; M19-F23 PolarHBondContact O-N 2.91Å; N20-F23 PolarHBondContact O-N 2.94Å; F21-F23 VanDerWaalsContact C-N 3.28Å; F21-F23 PolarHBondContact O-N 3.08Å; F23-W44 HydrophobicContact CD2-CH2 4.02Å; F23-W44 AromaticContact CD2-CZ2 3.85Å; F23-W44 HydrophobicContact CD2-CZ2 3.85Å; F23-W44 AromaticContact CE2-CH2 3.62Å; F23-W44 HydrophobicContact CE2-CH2 3.62Å; F23-W44 AromaticContact CE2-CZ2 3.94Å; F23-W44 HydrophobicContact CE2-CZ2 3.94Å; F23-W44 HydrophobicContact CZ-CH2 4.41Å; F23-F69 WeakPolarHBondContact CZ-O 3.42Å; F23-R71 HydrophobicContact CE1-CB 3.81Å; F23-R71 HydrophobicContact CE2-CB 4.46Å; F23-R71 HydrophobicContact CZ-CB 3.51Å; F23-K74 HydrophobicContact CD1-CB 4.04Å; F23-K74 HydrophobicContact CE1-CB 4.24Å; F23-K74 WeakPolarHBondContact CE1-O 3.44Å; F23-P76 HydrophobicContact CD1-CB 4.29Å; F23-P76 HydrophobicContact CD1-CG 4.31Å; F23-P76 HydrophobicContact CD2-CB 4.18Å; F23-P76 HydrophobicContact CD2-CG 4.33Å; F23-P76 HydrophobicContact CE1-CB 4.49Å; F23-P76 HydrophobicContact CE1-CG 4.02Å; F23-P76 HydrophobicContact CE2-CB 4.35Å; F23-P76 HydrophobicContact CE2-CG 4.01Å; F23-P76 HydrophobicContact CG-CB 4.14Å; F23-P76 HydrophobicContact CG-CG 4.47Å; F23-P76 HydrophobicContact CZ-CG 3.87Å; F23-L77 WeakPolarHBondContact O-CB 3.49Å; F23-L77 WeakPolarHBondContact O-CG 3.36Å; F23-L77 PolarHBondContact O-N 3.47Å
24S91.6Very high85.6Confident45 Ų4585.5 Ų85.532%0.31542%0.424SS..SBendtrans-71.6155.4178.466.50000112.3N20 F21 K40N20-S24 PolarHBondContact O-N 2.87Å; F21-S24 PolarHBondContact O-N 3.36Å; F21-S24 PolarHBondContact O-OG 2.84Å; S24-K40 PolarHBondContact O-NZ 3.22Å; S24-K40 PolarHBondContact OG-NZ 3.4Å
25E88.9Confident85.5Confident132 Ų13283.7 Ų83.762%0.61742%0.418SS*.PPolyproline II helixtrans-56.3153.5-179.9-69.9176.3179.200112.8K40 L77E25-K40 PolarHBondContact O-NZ 2.84Å; E25-L77 HydrophobicContact CG-CB 3.51Å; E25-L77 HydrophobicContact CG-CD1 3.77Å; E25-L77 HydrophobicContact CG-CG 4.26Å
26F89.2Confident85.3Confident22 Ų2283.3 Ų83.310%0.09642%0.416CS..PPolyproline II helixtrans-68.4144.2165.7-76.4-93.8000108.9W37 K40 M41 G78 T81 V82F26-W37 AromaticContact CD1-CD1 3.54Å; F26-W37 AromaticContact CD1-CD2 3.99Å; F26-W37 HydrophobicContact CD1-CD2 3.99Å; F26-W37 AromaticContact CD1-CE2 3.72Å; F26-W37 AromaticContact CD1-CG 3.86Å; F26-W37 HydrophobicContact CD1-CG 3.86Å; F26-W37 HydrophobicContact CD1-CZ2 4.46Å; F26-W37 AromaticContact CD1-NE1 3.41Å; F26-W37 HydrophobicContact CE1-CD2 4.16Å; F26-W37 HydrophobicContact CE1-CG 4.32Å; F26-K40 HydrophobicContact CE1-CB 3.73Å; F26-K40 HydrophobicContact CE1-CD 4.49Å; F26-K40 HydrophobicContact CZ-CB 3.78Å; F26-M41 HydrophobicContact CE1-CB 4.3Å; F26-M41 HydrophobicContact CE1-CE 3.78Å; F26-M41 HydrophobicContact CZ-CE 3.76Å; F26-G78 WeakPolarHBondContact CE2-O 3.33Å; F26-T81 HydrophobicContact CB-CG2 4.17Å; F26-T81 HydrophobicContact CD1-CG2 4.4Å; F26-T81 HydrophobicContact CD2-CG2 3.89Å; F26-T81 HydrophobicContact CE2-CG2 4.41Å; F26-T81 HydrophobicContact CG-CG2 3.89Å; F26-V82 HydrophobicContact CE2-CG2 3.68Å; F26-V82 HydrophobicContact CZ-CG2 3.7Å
27K84.1Confident85.3Confident144 Ų14481.8 Ų81.863%0.62641%0.405SS*.PPolyproline II helixtrans-64.9142.1169.3-62-63.6-176.1179.10108.9N29K27-N29 PolarHBondContact O-N 3.38Å
28E73.1Confident85.3Confident211 Ų21176.4 Ų76.499%0.98638%0.382SS*.SBendtrans-57.2-36.6-178.3-68.3-175.316600112.4
29N74.6Confident85.3Confident80 Ų8074.3 Ų74.343%0.42838%0.382SS..  trans-113.6117.6176.5-170.5-4.3000110.6K27 D31 V32K27-N29 PolarHBondContact O-N 3.38Å; N29-D31 PolarHBondContact O-N 3.45Å; N29-D31 WeakPolarHBondContact OD1-CB 3.15Å; N29-D31 PolarHBondContact OD1-N 2.95Å; N29-V32 HydrophobicContact CB-CG2 3.83Å; N29-V32 PolarHBondContact O-N 2.79Å
30R79.1Confident85.4Confident99 Ų9974.9 Ų74.937%0.37438%0.384SS..G310 helixtrans-58.6-36.5174.8177.1176.8172.7-85.8-1.2111.6V32 N33 T34 W37 D38R30-V32 PolarHBondContact O-N 3.1Å; R30-N33 CarbonylContact O-C 3.6Å; R30-N33 PolarHBondContact O-N 3.19Å; R30-N33 VanDerWaalsContact O-N 3.13Å; R30-T34 HydrophobicContact CG-CG2 4.38Å; R30-T34 WeakPolarHBondContact O-CA 3.21Å; R30-T34 WeakPolarHBondContact O-CG2 3.34Å; R30-T34 PolarHBondContact O-N 3.42Å; R30-T34 VanDerWaalsContact O-N 3.11Å; R30-W37 HydrophobicContact CB-CD2 4.21Å; R30-W37 HydrophobicContact CB-CG 4.1Å; R30-W37 HydrophobicContact CG-CB 4.14Å; R30-W37 HydrophobicContact CG-CD2 3.85Å; R30-W37 HydrophobicContact CG-CE3 4.09Å; R30-W37 HydrophobicContact CG-CG 3.86Å; R30-D38 IonicContact CZ-OD1 3.2Å; R30-D38 IonicContact CZ-OD2 3.59Å; R30-D38 IonicContact NE-OD1 2.69Å; R30-D38 PolarHBondContact NE-OD1 2.86Å; R30-D38 IonicContact NE-OD2 2.94Å; R30-D38 IonicContact NH2-OD1 3.42Å; R30-D38 PolarHBondContact NH2-OD1 3.42Å; R30-D38 VanDerWaalsContact NH2-OD1 3.12Å; R30-D38 IonicContact NH2-OD2 3.83Å; R30-D38 PolarHBondContact NH2-OD2 2.8Å
31D75.3Confident85.5Confident120 Ų12071.2 Ų71.264%0.64236%0.364SS*.G310 helixtrans-69.8-16.1-173.3-59.4-30.7000113.1N29N29-D31 PolarHBondContact O-N 3.45Å; N29-D31 WeakPolarHBondContact OD1-CB 3.15Å; N29-D31 PolarHBondContact OD1-N 2.95Å
32V71.8Confident85.7Confident111 Ų11172.9 Ų72.967%0.67338%0.376SS*.G310 helixtrans-74.5-29.4176.11760000111.4N29 R30N29-V32 HydrophobicContact CB-CG2 3.83Å; N29-V32 PolarHBondContact O-N 2.79Å; R30-V32 PolarHBondContact O-N 3.1Å
33N74.8Confident85.8Confident58 Ų5873.8 Ų73.831%0.3138%0.38SS..  trans-158.881.3176-170.2-18.4000110.3R30 T35 D36 W37R30-N33 CarbonylContact O-C 3.6Å; R30-N33 PolarHBondContact O-N 3.19Å; R30-N33 VanDerWaalsContact O-N 3.13Å; N33-T35 VanDerWaalsContact C-N 3.32Å; N33-T35 PolarHBondContact O-N 2.86Å; N33-D36 HydrophobicContact CB-CB 4.5Å; N33-D36 PolarHBondContact ND2-OD2 2.97Å; N33-D36 WeakPolarHBondContact OD1-CB 3.5Å; N33-D36 PolarHBondContact OD1-N 2.87Å; N33-D36 VanDerWaalsContact OD1-N 3.11Å; N33-W37 WeakPolarHBondContact O-CB 3.43Å; N33-W37 PolarHBondContact O-N 3.04Å
34T83.4Confident85.9Confident54 Ų5473 Ų7333%0.33138%0.377SS..Hα-helixtrans-63.7-39.1-175.552.60000111.8R30 W37 D38R30-T34 HydrophobicContact CG-CG2 4.38Å; R30-T34 WeakPolarHBondContact O-CA 3.21Å; R30-T34 WeakPolarHBondContact O-CG2 3.34Å; R30-T34 PolarHBondContact O-N 3.42Å; R30-T34 VanDerWaalsContact O-N 3.11Å; T34-W37 PolarHBondContact O-N 3.27Å; T34-D38 VanDerWaalsContact O-CB 3.29Å; T34-D38 WeakPolarHBondContact O-CB 3.38Å; T34-D38 PolarHBondContact O-N 2.72Å
35T84.9Confident86.2Confident102 Ų10271.3 Ų71.363%0.62636%0.364SS*.Hα-helixtrans-65.1-48.1-176.2-52.10000112N33 W37 S39N33-T35 VanDerWaalsContact C-N 3.32Å; N33-T35 PolarHBondContact O-N 2.86Å; T35-W37 VanDerWaalsContact C-N 3.34Å; T35-S39 VanDerWaalsContact O-CB 3.23Å; T35-S39 WeakPolarHBondContact O-CB 3.45Å; T35-S39 PolarHBondContact O-N 2.87Å
36D86.5Confident86.5Confident65 Ų6568 Ų6835%0.34836%0.359SS..Hα-helixtrans-66.8-39.9178.8-75.92.3000111.5F21 N33 K40F21-D36 HydrophobicContact CE2-CB 4.12Å; F21-D36 HydrophobicContact CZ-CB 3.77Å; N33-D36 HydrophobicContact CB-CB 4.5Å; N33-D36 PolarHBondContact ND2-OD2 2.97Å; N33-D36 WeakPolarHBondContact OD1-CB 3.5Å; N33-D36 PolarHBondContact OD1-N 2.87Å; N33-D36 VanDerWaalsContact OD1-N 3.11Å; D36-K40 WeakPolarHBondContact O-CG 3.49Å; D36-K40 PolarHBondContact O-N 2.59Å; D36-K40 VanDerWaalsContact O-N 3.09Å
37W90.9Very high86.7Confident36 Ų3667.2 Ų67.214%0.13636%0.357CS..Hα-helixtrans-64-50.3179.4-166.6107.7000110.9F26 R30 N33 T34 T35 K40 M41 T81 T85F26-W37 AromaticContact CD1-CD1 3.54Å; F26-W37 AromaticContact CD1-CD2 3.99Å; F26-W37 HydrophobicContact CD1-CD2 3.99Å; F26-W37 AromaticContact CD1-CE2 3.72Å; F26-W37 AromaticContact CD1-CG 3.86Å; F26-W37 HydrophobicContact CD1-CG 3.86Å; F26-W37 HydrophobicContact CD1-CZ2 4.46Å; F26-W37 AromaticContact CD1-NE1 3.41Å; F26-W37 HydrophobicContact CE1-CD2 4.16Å; F26-W37 HydrophobicContact CE1-CG 4.32Å; R30-W37 HydrophobicContact CB-CD2 4.21Å; R30-W37 HydrophobicContact CB-CG 4.1Å; R30-W37 HydrophobicContact CG-CB 4.14Å; R30-W37 HydrophobicContact CG-CD2 3.85Å; R30-W37 HydrophobicContact CG-CE3 4.09Å; R30-W37 HydrophobicContact CG-CG 3.86Å; N33-W37 WeakPolarHBondContact O-CB 3.43Å; N33-W37 PolarHBondContact O-N 3.04Å; T34-W37 PolarHBondContact O-N 3.27Å; T35-W37 VanDerWaalsContact C-N 3.34Å; W37-K40 PolarHBondContact O-N 3.48Å; W37-M41 HydrophobicContact CE3-CB 4.1Å; W37-M41 HydrophobicContact CH2-CE 3.43Å; W37-M41 VanDerWaalsContact CH2-CE 3.43Å; W37-M41 HydrophobicContact CH2-CG 4.25Å; W37-M41 HydrophobicContact CZ2-CE 3.69Å; W37-M41 HydrophobicContact CZ3-CB 3.88Å; W37-M41 HydrophobicContact CZ3-CE 3.94Å; W37-M41 HydrophobicContact CZ3-CG 3.9Å; W37-M41 WeakPolarHBondContact O-CB 3.39Å; W37-M41 PolarHBondContact O-N 3.44Å; W37-T81 HydrophobicContact CZ2-CG2 4.39Å; W37-T85 HydrophobicContact CH2-CG2 4Å
38D90.4Very high87.3Confident52 Ų5260.4 Ų60.428%0.27833%0.327SS..Hα-helixtrans-66-41.4-178.9-68.8-17.3000110.6R30 T34 K40 M41 D42R30-D38 IonicContact CZ-OD1 3.2Å; R30-D38 IonicContact CZ-OD2 3.59Å; R30-D38 IonicContact NE-OD1 2.69Å; R30-D38 PolarHBondContact NE-OD1 2.86Å; R30-D38 IonicContact NE-OD2 2.94Å; R30-D38 IonicContact NH2-OD1 3.42Å; R30-D38 PolarHBondContact NH2-OD1 3.42Å; R30-D38 VanDerWaalsContact NH2-OD1 3.12Å; R30-D38 IonicContact NH2-OD2 3.83Å; R30-D38 PolarHBondContact NH2-OD2 2.8Å; T34-D38 VanDerWaalsContact O-CB 3.29Å; T34-D38 WeakPolarHBondContact O-CB 3.38Å; T34-D38 PolarHBondContact O-N 2.72Å; D38-K40 PolarHBondContact O-N 3.08Å; D38-M41 WeakPolarHBondContact O-CB 3.44Å; D38-M41 PolarHBondContact O-N 3.46Å; D38-M41 VanDerWaalsContact O-N 3.15Å; D38-D42 WeakPolarHBondContact O-CB 3.3Å; D38-D42 PolarHBondContact O-N 2.88Å
39S91.3Very high88.3Confident52 Ų5251.2 Ų51.236%0.36428%0.284SS..Hα-helixtrans-59.8-44.9176.7179.90000112.7T35 F43T35-S39 VanDerWaalsContact O-CB 3.23Å; T35-S39 WeakPolarHBondContact O-CB 3.45Å; T35-S39 PolarHBondContact O-N 2.87Å; S39-F43 WeakPolarHBondContact O-CB 2.91Å; S39-F43 PolarHBondContact O-N 3.39Å
40K93.6Very high89.3Confident12 Ų1254.4 Ų54.45%0.05229%0.29CS..Hα-helixtrans-63.4-43.1173.9-74.3-176.1-177.9-168.10111.6F21 M22 S24 E25 F26 D36 W37 D38 F43 W44F21-K40 HydrophobicContact CD1-CG 4.38Å; F21-K40 HydrophobicContact CE1-CD 4.3Å; F21-K40 HydrophobicContact CE1-CG 3.65Å; F21-K40 HydrophobicContact CZ-CD 4.24Å; F21-K40 VanDerWaalsContact CZ-CE 3.5Å; F21-K40 HydrophobicContact CZ-CG 3.93Å; F21-K40 WeakPolarHBondContact O-CE 3.4Å; F21-K40 PolarHBondContact O-NZ 3.49Å; M22-K40 HydrophobicContact SD-CB 4.49Å; M22-K40 HydrophobicContact SD-CG 3.97Å; S24-K40 PolarHBondContact O-NZ 3.22Å; S24-K40 PolarHBondContact OG-NZ 3.4Å; E25-K40 PolarHBondContact O-NZ 2.84Å; F26-K40 HydrophobicContact CE1-CB 3.73Å; F26-K40 HydrophobicContact CE1-CD 4.49Å; F26-K40 HydrophobicContact CZ-CB 3.78Å; D36-K40 WeakPolarHBondContact O-CG 3.49Å; D36-K40 PolarHBondContact O-N 2.59Å; D36-K40 VanDerWaalsContact O-N 3.09Å; W37-K40 PolarHBondContact O-N 3.48Å; D38-K40 PolarHBondContact O-N 3.08Å; K40-F43 PolarHBondContact O-N 2.87Å; K40-W44 PolarHBondContact O-N 2.99Å
41M94.8Very high89.9Confident11 Ų1149.7 Ų49.75%0.05427%0.273CS..Hα-helixtrans-62-46-178.8-172.955.664.300111.4F26 W37 D38 T45 T81 V82 T85F26-M41 HydrophobicContact CE1-CB 4.3Å; F26-M41 HydrophobicContact CE1-CE 3.78Å; F26-M41 HydrophobicContact CZ-CE 3.76Å; W37-M41 HydrophobicContact CE3-CB 4.1Å; W37-M41 HydrophobicContact CH2-CE 3.43Å; W37-M41 VanDerWaalsContact CH2-CE 3.43Å; W37-M41 HydrophobicContact CH2-CG 4.25Å; W37-M41 HydrophobicContact CZ2-CE 3.69Å; W37-M41 HydrophobicContact CZ3-CB 3.88Å; W37-M41 HydrophobicContact CZ3-CE 3.94Å; W37-M41 HydrophobicContact CZ3-CG 3.9Å; W37-M41 WeakPolarHBondContact O-CB 3.39Å; W37-M41 PolarHBondContact O-N 3.44Å; D38-M41 WeakPolarHBondContact O-CB 3.44Å; D38-M41 PolarHBondContact O-N 3.46Å; D38-M41 VanDerWaalsContact O-N 3.15Å; M41-T45 WeakPolarHBondContact O-CB 3.4Å; M41-T45 PolarHBondContact O-N 3.17Å; M41-T45 PolarHBondContact O-OG1 2.94Å; M41-T81 HydrophobicContact CE-CG2 4.32Å; M41-V82 HydrophobicContact CE-CG2 4.13Å; M41-V82 HydrophobicContact SD-CB 4.12Å; M41-V82 HydrophobicContact SD-CG1 3.96Å; M41-V82 HydrophobicContact SD-CG2 3.98Å; M41-T85 HydrophobicContact CE-CG2 3.89Å; M41-T85 WeakPolarHBondContact CE-OG1 3.49Å; M41-T85 HydrophobicContact CG-CG2 4.26Å; M41-T85 HydrophobicContact SD-CG2 3.84Å
42D94.8Very high90.7Very high104 Ų10444 Ų4456%0.55624%0.242SC*.Hα-helixtrans-65.4-45.4178.8-74.6-19.9000111.5D38 A46D38-D42 WeakPolarHBondContact O-CB 3.3Å; D38-D42 PolarHBondContact O-N 2.88Å; D42-A46 VanDerWaalsContact O-CB 3.23Å; D42-A46 WeakPolarHBondContact O-CB 3.23Å; D42-A46 PolarHBondContact O-N 3.38Å
43F95.1Very high91.7Very high23 Ų2344.4 Ų44.410%0.10123%0.231CC..Hα-helixtrans-56-54.2176.2173.8-94.2000111.5P10 E12 W13 M19 M22 S39 K40 A46 L47P10-F43 HydrophobicContact CG-CE2 4.37Å; E12-F43 WeakPolarHBondContact OE2-CE2 3.41Å; W13-F43 HydrophobicContact CE3-CZ 4.37Å; W13-F43 HydrophobicContact CZ3-CZ 4.4Å; M19-F43 HydrophobicContact CE-CZ 4.31Å; M19-F43 HydrophobicContact SD-CZ 4.11Å; M22-F43 HydrophobicContact CB-CD1 4.36Å; M22-F43 HydrophobicContact CB-CE1 4.19Å; M22-F43 HydrophobicContact CE-CB 4.1Å; M22-F43 HydrophobicContact CE-CD2 4.34Å; M22-F43 HydrophobicContact CE-CG 4.1Å; M22-F43 HydrophobicContact CG-CD1 4.04Å; M22-F43 HydrophobicContact CG-CE1 4.09Å; M22-F43 HydrophobicContact CG-CG 4.4Å; M22-F43 HydrophobicContact CG-CZ 4.47Å; M22-F43 HydrophobicContact SD-CB 3.96Å; M22-F43 HydrophobicContact SD-CD1 3.76Å; M22-F43 HydrophobicContact SD-CE1 4.41Å; M22-F43 HydrophobicContact SD-CG 3.82Å; S39-F43 WeakPolarHBondContact O-CB 2.91Å; S39-F43 PolarHBondContact O-N 3.39Å; K40-F43 PolarHBondContact O-N 2.87Å; F43-A46 PolarHBondContact O-N 3.25Å; F43-L47 HydrophobicContact CE1-CD2 4.11Å; F43-L47 HydrophobicContact CZ-CD2 4.13Å; F43-L47 WeakPolarHBondContact O-CB 3.24Å; F43-L47 PolarHBondContact O-N 2.89Å
44W96.3Very high92.4Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-68.8-40.3-176.6-75118.9000112.4W13 M22 F23 K40 L47 I48 F69 P76 L79 V82W13-W44 HydrophobicContact CH2-CH2 4.15Å; W13-W44 HydrophobicContact CH2-CZ3 4.38Å; W13-W44 HydrophobicContact CZ3-CH2 4.05Å; W13-W44 HydrophobicContact CZ3-CZ3 4.2Å; M22-W44 HydrophobicContact CB-CZ2 4.04Å; M22-W44 WeakPolarHBondContact O-CZ2 3.47Å; M22-W44 PolarHBondContact O-NE1 3.29Å; F23-W44 HydrophobicContact CD2-CH2 4.02Å; F23-W44 AromaticContact CD2-CZ2 3.85Å; F23-W44 HydrophobicContact CD2-CZ2 3.85Å; F23-W44 AromaticContact CE2-CH2 3.62Å; F23-W44 HydrophobicContact CE2-CH2 3.62Å; F23-W44 AromaticContact CE2-CZ2 3.94Å; F23-W44 HydrophobicContact CE2-CZ2 3.94Å; F23-W44 HydrophobicContact CZ-CH2 4.41Å; K40-W44 PolarHBondContact O-N 2.99Å; W44-L47 HydrophobicContact CE3-CD2 4.06Å; W44-L47 HydrophobicContact CZ3-CD2 3.76Å; W44-L47 PolarHBondContact O-N 2.95Å; W44-I48 WeakPolarHBondContact O-CB 3.1Å; W44-I48 WeakPolarHBondContact O-CD1 3.12Å; W44-I48 VanDerWaalsContact O-CG1 3.22Å; W44-I48 WeakPolarHBondContact O-CG1 3.1Å; W44-I48 PolarHBondContact O-N 3.29Å; W44-F69 HydrophobicContact CE3-CD2 4.34Å; W44-F69 HydrophobicContact CZ3-CB 4.1Å; W44-F69 AromaticContact CZ3-CD2 3.94Å; W44-F69 HydrophobicContact CZ3-CD2 3.94Å; W44-F69 HydrophobicContact CZ3-CG 4.01Å; W44-P76 HydrophobicContact CH2-CB 3.54Å; W44-P76 HydrophobicContact CH2-CG 3.28Å; W44-P76 HydrophobicContact CZ2-CB 3.39Å; W44-P76 HydrophobicContact CZ2-CG 3.75Å; W44-P76 HydrophobicContact CZ3-CB 4.29Å; W44-P76 HydrophobicContact CZ3-CG 3.83Å; W44-L79 HydrophobicContact CD2-CD2 3.9Å; W44-L79 HydrophobicContact CE3-CD2 3.67Å; W44-L79 HydrophobicContact CG-CD2 4.27Å; W44-L79 HydrophobicContact CZ3-CD2 4.23Å; W44-V82 HydrophobicContact CB-CB 4.4Å; W44-V82 HydrophobicContact CB-CG1 3.99Å; W44-V82 HydrophobicContact CB-CG2 3.66Å; W44-V82 HydrophobicContact CG-CG2 4.13Å
45T96.4Very high92.6Very high9 Ų948 Ų486%0.05524%0.235CC..Hα-helixtrans-59.6-49.5175.7-61.30000110.6M41 L47 I48 M49 M86 K91M41-T45 WeakPolarHBondContact O-CB 3.4Å; M41-T45 PolarHBondContact O-N 3.17Å; M41-T45 PolarHBondContact O-OG1 2.94Å; T45-L47 VanDerWaalsContact C-N 3.32Å; T45-L47 PolarHBondContact O-N 3.37Å; T45-I48 PolarHBondContact O-N 2.84Å; T45-M49 HydrophobicContact CG2-CG 4.5Å; T45-M49 VanDerWaalsContact O-CG 3.25Å; T45-M49 WeakPolarHBondContact O-CG 3.49Å; T45-M49 PolarHBondContact O-N 3.28Å; T45-M86 HydrophobicContact CG2-CE 4.12Å; T45-M86 HydrophobicContact CG2-CG 4.33Å; T45-M86 HydrophobicContact CG2-SD 4.26Å; T45-K91 HydrophobicContact CG2-CD 4.13Å
46A95.3Very high92.7Very high62 Ų6243.9 Ų43.951%0.51221%0.212SC..Hα-helixtrans-61.9-40.8179.200000111.8D42 F43 M49 R50D42-A46 VanDerWaalsContact O-CB 3.23Å; D42-A46 WeakPolarHBondContact O-CB 3.23Å; D42-A46 PolarHBondContact O-N 3.38Å; F43-A46 PolarHBondContact O-N 3.25Å; A46-M49 PolarHBondContact O-N 2.87Å; A46-R50 VanDerWaalsContact O-CB 3.28Å; A46-R50 WeakPolarHBondContact O-CB 3.27Å; A46-R50 PolarHBondContact O-N 2.66Å
47L95.3Very high92.8Very high7 Ų741.9 Ų41.94%0.03720%0.203CC..Hα-helixtrans-68.1-41.2179.7-172.559.2000112.5L9 P10 W13 F43 W44 T45 S51 F69L9-L47 HydrophobicContact CD2-CD1 4.42Å; P10-L47 HydrophobicContact CG-CD1 3.88Å; W13-L47 HydrophobicContact CE3-CD2 4.23Å; W13-L47 HydrophobicContact CH2-CD2 4.42Å; W13-L47 HydrophobicContact CZ3-CD2 3.58Å; F43-L47 HydrophobicContact CE1-CD2 4.11Å; F43-L47 HydrophobicContact CZ-CD2 4.13Å; F43-L47 WeakPolarHBondContact O-CB 3.24Å; F43-L47 PolarHBondContact O-N 2.89Å; W44-L47 HydrophobicContact CE3-CD2 4.06Å; W44-L47 HydrophobicContact CZ3-CD2 3.76Å; W44-L47 PolarHBondContact O-N 2.95Å; T45-L47 VanDerWaalsContact C-N 3.32Å; T45-L47 PolarHBondContact O-N 3.37Å; L47-S51 VanDerWaalsContact O-CB 3.3Å; L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3.44Å; L47-F69 HydrophobicContact CD1-CE1 4.31Å; L47-F69 HydrophobicContact CD2-CD1 4.02Å; L47-F69 HydrophobicContact CD2-CE1 3.83Å; L47-F69 HydrophobicContact CD2-CZ 4.18Å; L47-F69 HydrophobicContact CG-CD1 4.35Å; L47-F69 HydrophobicContact CG-CE1 3.65Å; L47-F69 HydrophobicContact CG-CZ 3.77Å
48I95.8Very high92.9Very high0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-59.3-52.8173.3-69.9163.9000109.7W44 T45 R50 S51 C52 V60 L65 F69 L79 V82 M86W44-I48 WeakPolarHBondContact O-CB 3.1Å; W44-I48 WeakPolarHBondContact O-CD1 3.12Å; W44-I48 VanDerWaalsContact O-CG1 3.22Å; W44-I48 WeakPolarHBondContact O-CG1 3.1Å; W44-I48 PolarHBondContact O-N 3.29Å; T45-I48 PolarHBondContact O-N 2.84Å; I48-R50 VanDerWaalsContact C-N 3.34Å; I48-R50 PolarHBondContact O-N 2.91Å; I48-S51 WeakPolarHBondContact O-CB 3.24Å; I48-S51 PolarHBondContact O-N 3.02Å; I48-S51 VanDerWaalsContact O-N 3.12Å; I48-C52 PolarHBondContact O-N 3.37Å; I48-C52 PolarHBondContact O-SG 3.44Å; I48-V60 HydrophobicContact CG2-CG1 4.33Å; I48-L65 HydrophobicContact CD1-CD1 3.98Å; I48-L65 HydrophobicContact CG1-CD1 4.09Å; I48-L65 HydrophobicContact CG1-CD2 4.14Å; I48-L65 HydrophobicContact CG2-CD1 4.47Å; I48-L65 HydrophobicContact CG2-CD2 4.34Å; I48-F69 HydrophobicContact CG1-CE2 3.83Å; I48-F69 HydrophobicContact CG1-CZ 4.39Å; I48-L79 HydrophobicContact CD1-CD2 4.4Å; I48-V82 HydrophobicContact CD1-CG1 3.71Å; I48-M86 HydrophobicContact CD1-SD 4.07Å; I48-M86 HydrophobicContact CG2-CE 4.36Å
49M95.2Very high93Very high19 Ų1939 Ų399%0.09419%0.19CC..Hα-helixtrans-57.3-46.8-179.5-70.1-60.5-67.400111.8T45 A46 S51 C52 R53 M86 V140 E142 L143T45-M49 HydrophobicContact CG2-CG 4.5Å; T45-M49 VanDerWaalsContact O-CG 3.25Å; T45-M49 WeakPolarHBondContact O-CG 3.49Å; T45-M49 PolarHBondContact O-N 3.28Å; A46-M49 PolarHBondContact O-N 2.87Å; M49-S51 VanDerWaalsContact C-N 3.33Å; M49-S51 PolarHBondContact O-N 3.27Å; M49-C52 PolarHBondContact O-N 3.03Å; M49-R53 WeakPolarHBondContact O-CB 3.37Å; M49-R53 PolarHBondContact O-N 3.31Å; M49-M86 HydrophobicContact CG-CE 4.49Å; M49-M86 HydrophobicContact SD-CE 4.15Å; M49-V140 HydrophobicContact CE-CG1 3.67Å; M49-V140 HydrophobicContact SD-CG1 3.38Å; M49-V140 WeakPolarHBondContact SD-CG1 3.34Å; M49-E142 HydrophobicContact CE-CB 4.04Å; M49-E142 HydrophobicContact CE-CG 4.33Å; M49-E142 WeakPolarHBondContact CE-OE2 3.47Å; M49-L143 HydrophobicContact CE-CD1 4.44Å; M49-L143 HydrophobicContact CE-CD2 4.19Å; M49-L143 HydrophobicContact CE-CG 3.99Å
50R93.9Very high93.1Very high146 Ų14636.8 Ų36.855%0.55118%0.175SC*.Hα-helixtrans-61.9-40.8177.3-169.4180-144.4150.56112.2A46 I48 R54A46-R50 VanDerWaalsContact O-CB 3.28Å; A46-R50 WeakPolarHBondContact O-CB 3.27Å; A46-R50 PolarHBondContact O-N 2.66Å; I48-R50 VanDerWaalsContact C-N 3.34Å; I48-R50 PolarHBondContact O-N 2.91Å; R50-R54 WeakPolarHBondContact O-CB 3.41Å; R50-R54 PolarHBondContact O-N 3.13Å
51S92.8Very high93.1Very high1 Ų137.1 Ų37.11%0.00718%0.177CC..Hα-helixtrans-63.1-45178-168.90000111.9L47 I48 M49 R54 R55L47-S51 VanDerWaalsContact O-CB 3.3Å; L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3.44Å; I48-S51 WeakPolarHBondContact O-CB 3.24Å; I48-S51 PolarHBondContact O-N 3.02Å; I48-S51 VanDerWaalsContact O-N 3.12Å; M49-S51 VanDerWaalsContact C-N 3.33Å; M49-S51 PolarHBondContact O-N 3.27Å; S51-R54 PolarHBondContact O-N 3.4Å; S51-R55 WeakPolarHBondContact O-CG 3.43Å; S51-R55 PolarHBondContact O-N 2.8Å; S51-R55 VanDerWaalsContact O-N 3.11Å
52C92.7Very high93Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-62.8-50.8177.4-60.80000111.6I48 M49 R54 R55 G56 S57 V60 L143I48-C52 PolarHBondContact O-N 3.37Å; I48-C52 PolarHBondContact O-SG 3.44Å; M49-C52 PolarHBondContact O-N 3.03Å; C52-R54 VanDerWaalsContact C-N 3.32Å; C52-R54 PolarHBondContact O-N 2.99Å; C52-R55 PolarHBondContact O-N 2.85Å; C52-R55 VanDerWaalsContact O-N 3.15Å; C52-G56 PolarHBondContact O-N 2.83Å; C52-S57 CarbonylContact C-O 3.53Å; C52-S57 WeakPolarHBondContact CB-O 3.41Å; C52-S57 PolarHBondContact O-N 3.1Å; C52-V60 WeakPolarHBondContact SG-CG1 3.46Å; C52-L143 HydrophobicContact CB-CD1 3.27Å
53R92.5Very high92.8Very high119 Ų11935.2 Ų35.245%0.44917%0.165SC..Hα-helixtrans-57.8-42.5179.4-168.6176-76131.8-2.6112.2M49 G56 E142 L143 E146M49-R53 WeakPolarHBondContact O-CB 3.37Å; M49-R53 PolarHBondContact O-N 3.31Å; R53-G56 PolarHBondContact O-N 3.35Å; R53-E142 IonicContact NH2-OE1 2.73Å; R53-E142 PolarHBondContact NH2-OE1 2.98Å; R53-L143 HydrophobicContact CB-CD2 4.15Å; R53-L143 HydrophobicContact CG-CD2 4.39Å; R53-E146 IonicContact CZ-OE1 3.95Å; R53-E146 IonicContact CZ-OE2 3.29Å; R53-E146 IonicContact NE-OE1 3.78Å; R53-E146 IonicContact NE-OE2 2.85Å; R53-E146 PolarHBondContact NE-OE2 3.21Å; R53-E146 IonicContact NH2-OE1 2.78Å; R53-E146 PolarHBondContact NH2-OE1 3.03Å; R53-E146 IonicContact NH2-OE2 2.91Å
54R88.9Confident92.7Very high90 Ų9037.1 Ų37.134%0.3418%0.176SC..Hα-helixtrans-65.7-40.3177.8-167.1-165.8-53.198-3112.9S8 R50 S51 C52 G56S8-R54 PolarHBondContact O-NH2 3.44Å; R50-R54 WeakPolarHBondContact O-CB 3.41Å; R50-R54 PolarHBondContact O-N 3.13Å; S51-R54 PolarHBondContact O-N 3.4Å; C52-R54 VanDerWaalsContact C-N 3.32Å; C52-R54 PolarHBondContact O-N 2.99Å; R54-G56 PolarHBondContact O-N 3.17Å
55R87.2Confident92.6Very high99 Ų9937.2 Ų37.237%0.37418%0.177SC..Hα-helixtrans-74.3-11176.8-69.4-172.5-64.9-154.34.5112.6S51 C52 S57 T68 A180S51-R55 WeakPolarHBondContact O-CG 3.43Å; S51-R55 PolarHBondContact O-N 2.8Å; S51-R55 VanDerWaalsContact O-N 3.11Å; C52-R55 PolarHBondContact O-N 2.85Å; C52-R55 VanDerWaalsContact O-N 3.15Å; R55-S57 PolarHBondContact O-N 3.28Å; R55-T68 PolarHBondContact NH1-OG1 3.18Å; R55-A180 VanDerWaalsContact O-CB 3.3Å; R55-A180 WeakPolarHBondContact O-CB 3.3Å
56G86.7Confident92.4Very high15 Ų1538.2 Ų38.216%0.15518%0.182CC..THydrogen-bonded Turntrans66.812.7-17200000113.6C52 R53 R54 A180C52-G56 PolarHBondContact O-N 2.83Å; R53-G56 PolarHBondContact O-N 3.35Å; R54-G56 PolarHBondContact O-N 3.17Å; G56-A180 WeakPolarHBondContact O-CB 3.49Å
57S88.6Confident92.3Very high22 Ų2241.4 Ų41.415%0.15418%0.184CC..  trans-96.8144.5-178.5-178.20000110.5C52 R55 I59C52-S57 CarbonylContact C-O 3.53Å; C52-S57 WeakPolarHBondContact CB-O 3.41Å; C52-S57 PolarHBondContact O-N 3.1Å; R55-S57 PolarHBondContact O-N 3.28Å; S57-I59 PolarHBondContact OG-N 3.46Å; S57-I59 PolarHBondContact OG-O 3.49Å
58V94Very high92.2Very high1 Ų142 Ų421%0.00619%0.188CC..  trans-108.72.1179.8-59.90000113V139 V140 L143 V144 K147 T184 M187V58-V139 WeakPolarHBondContact O-CA 3.43Å; V58-V140 PolarHBondContact O-N 3.29Å; V58-L143 HydrophobicContact CG1-CB 3.97Å; V58-V144 HydrophobicContact CB-CG2 3.57Å; V58-V144 HydrophobicContact CG1-CG2 4.05Å; V58-V144 HydrophobicContact CG2-CG2 3.72Å; V58-K147 HydrophobicContact CG1-CB 4.45Å; V58-K147 HydrophobicContact CG1-CG 3.73Å; V58-T184 HydrophobicContact CG1-CG2 3.86Å; V58-T184 HydrophobicContact CG2-CG2 3.98Å; V58-M187 HydrophobicContact CG2-CB 3.77Å; V58-M187 HydrophobicContact CG2-CG 4Å
59I91.7Very high92.1Very high26 Ų2642.1 Ų42.113%0.13319%0.188CC..EExtended strand (participates in β ladder)trans-116.9140.5-177.9-59.1176.7000109.6S57 F138 V139 S183 M187S57-I59 PolarHBondContact OG-N 3.46Å; S57-I59 PolarHBondContact OG-O 3.49Å; I59-F138 CarbonylContact C-O 3.53Å; I59-F138 WeakPolarHBondContact CA-O 3.22Å; I59-V139 HydrophobicContact CG1-CG2 4.39Å; I59-S183 WeakPolarHBondContact CD1-OG 3.48Å; I59-M187 HydrophobicContact CD1-CG 4.15Å; I59-M187 HydrophobicContact CG1-CG 4.37Å
60V93.8Very high92Very high6 Ų646.2 Ų46.24%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-135.6148174.8-64.60000111.5I48 C52 L65 F138 V140I48-V60 HydrophobicContact CG2-CG1 4.33Å; C52-V60 WeakPolarHBondContact SG-CG1 3.46Å; V60-L65 HydrophobicContact CB-CD1 4.4Å; V60-L65 HydrophobicContact CG1-CD2 4.44Å; V60-F138 HydrophobicContact CG2-CB 4.11Å; V60-F138 PolarHBondContact N-O 2.79Å; V60-F138 PolarHBondContact O-N 2.82Å; V60-V140 HydrophobicContact CG1-CG2 4.13Å; V60-V140 HydrophobicContact CG2-CG2 4.11Å
61N92.6Very high91.9Very high20 Ų2040.8 Ų40.811%0.10719%0.187CC..EExtended strand (participates in β ladder)trans-136.2160.2166.964.961.5000109.8Q63 D64 L65 E136N61-Q63 VanDerWaalsContact C-N 3.32Å; N61-Q63 PolarHBondContact O-N 2.92Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.47Å; N61-Q63 PolarHBondContact OD1-N 3.38Å; N61-D64 PolarHBondContact ND2-OD2 3.24Å; N61-D64 PolarHBondContact O-N 2.91Å; N61-D64 WeakPolarHBondContact OD1-CB 3.39Å; N61-D64 VanDerWaalsContact OD1-CG 3.25Å; N61-D64 PolarHBondContact OD1-N 3.18Å; N61-D64 PolarHBondContact OD1-OD2 3.45Å; N61-L65 VanDerWaalsContact O-CG 3.29Å; N61-L65 WeakPolarHBondContact O-CG 3.48Å; N61-L65 PolarHBondContact O-N 3.13Å; N61-L65 VanDerWaalsContact O-N 3.14Å; N61-E136 WeakPolarHBondContact CA-O 3.4Å; N61-E136 WeakPolarHBondContact CB-O 3.49Å
62L93.3Very high91.8Very high10 Ų1047.3 Ų47.35%0.05222%0.215CC..Hα-helixtrans-64.6-36.4-175.3179.456.7000112.3D64 L65 N66 L79 I83 V132 L134L62-D64 PolarHBondContact O-N 3.19Å; L62-L65 PolarHBondContact O-N 3.18Å; L62-N66 WeakPolarHBondContact O-CB 3.41Å; L62-N66 PolarHBondContact O-N 3.15Å; L62-N66 PolarHBondContact O-ND2 3.13Å; L62-L79 HydrophobicContact CD1-CB 3.55Å; L62-I83 HydrophobicContact CB-CD1 3.65Å; L62-I83 HydrophobicContact CD1-CD1 3.85Å; L62-I83 HydrophobicContact CG-CD1 4.26Å; L62-V132 HydrophobicContact CD2-CB 4.34Å; L62-L134 HydrophobicContact CB-CD2 4.39Å; L62-L134 HydrophobicContact CD2-CD2 3.81Å; L62-L134 HydrophobicContact CG-CD2 3.84Å; L62-L134 PolarHBondContact N-O 2.93Å
63Q91.9Very high91.6Very high64 Ų6455.6 Ų55.630%0.29925%0.254SS..Hα-helixtrans-59.3-48.3178.4-175.1-174.4-84.100112N61 N66 K67 L134N61-Q63 VanDerWaalsContact C-N 3.32Å; N61-Q63 PolarHBondContact O-N 2.92Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.47Å; N61-Q63 PolarHBondContact OD1-N 3.38Å; Q63-N66 PolarHBondContact O-N 3Å; Q63-K67 WeakPolarHBondContact O-CG 3.28Å; Q63-K67 PolarHBondContact O-N 3.14Å; Q63-K67 VanDerWaalsContact O-N 3.08Å; Q63-L134 HydrophobicContact CB-CB 4.27Å; Q63-L134 WeakPolarHBondContact CB-O 3.43Å; Q63-L134 PolarHBondContact N-O 2.64Å
64D91.3Very high91.5Very high64 Ų6456 Ų5634%0.34226%0.259SS..Hα-helixtrans-74.1-33.9-176.3-66.7-19.1000111.1N61 L62 K67 T68N61-D64 PolarHBondContact ND2-OD2 3.24Å; N61-D64 PolarHBondContact O-N 2.91Å; N61-D64 WeakPolarHBondContact OD1-CB 3.39Å; N61-D64 VanDerWaalsContact OD1-CG 3.25Å; N61-D64 PolarHBondContact OD1-N 3.18Å; N61-D64 PolarHBondContact OD1-OD2 3.45Å; L62-D64 PolarHBondContact O-N 3.19Å; D64-K67 PolarHBondContact O-N 3.3Å; D64-T68 WeakPolarHBondContact O-CB 3.4Å; D64-T68 PolarHBondContact O-N 3.46Å; D64-T68 PolarHBondContact O-OG1 3.02Å
65L94.4Very high91.7Very high1 Ų154.3 Ų54.31%0.00526%0.258CS..Hα-helixtrans-63.9-42.9171.3-65.7178.1000111.6I48 V60 N61 L62 K67 T68 F69 L79 I83I48-L65 HydrophobicContact CD1-CD1 3.98Å; I48-L65 HydrophobicContact CG1-CD1 4.09Å; I48-L65 HydrophobicContact CG1-CD2 4.14Å; I48-L65 HydrophobicContact CG2-CD1 4.47Å; I48-L65 HydrophobicContact CG2-CD2 4.34Å; V60-L65 HydrophobicContact CB-CD1 4.4Å; V60-L65 HydrophobicContact CG1-CD2 4.44Å; N61-L65 VanDerWaalsContact O-CG 3.29Å; N61-L65 WeakPolarHBondContact O-CG 3.48Å; N61-L65 PolarHBondContact O-N 3.13Å; N61-L65 VanDerWaalsContact O-N 3.14Å; L62-L65 PolarHBondContact O-N 3.18Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.11Å; L65-T68 PolarHBondContact O-N 3.06Å; L65-F69 HydrophobicContact CB-CD2 4.32Å; L65-F69 HydrophobicContact CB-CE2 4.4Å; L65-F69 HydrophobicContact CD2-CD2 4.5Å; L65-F69 HydrophobicContact CD2-CE2 3.8Å; L65-F69 HydrophobicContact CD2-CZ 4.38Å; L65-F69 WeakPolarHBondContact O-CB 3.38Å; L65-F69 WeakPolarHBondContact O-CD2 3.4Å; L65-F69 PolarHBondContact O-N 3.29Å; L65-L79 HydrophobicContact CB-CD1 3.98Å; L65-I83 HydrophobicContact CD1-CD1 4.03Å; L65-I83 HydrophobicContact CD1-CG1 4.27Å
66N93.8Very high92Very high30 Ų3049.6 Ų49.616%0.1624%0.241CC..Hα-helixtrans-59.2-43.5175-83.6-35.2000112.2L62 Q63 Q70 T75L62-N66 WeakPolarHBondContact O-CB 3.41Å; L62-N66 PolarHBondContact O-N 3.15Å; L62-N66 PolarHBondContact O-ND2 3.13Å; Q63-N66 PolarHBondContact O-N 3Å; N66-Q70 PolarHBondContact O-N 3.25Å; N66-T75 HydrophobicContact CB-CG2 4.07Å
67K92.9Very high92.2Very high130 Ų13053.5 Ų53.557%0.56526%0.258SS*.Hα-helixtrans-66.7-45.4175.5-69.7173.1-176.71710111.9Q63 D64 L65 F69 Q70Q63-K67 WeakPolarHBondContact O-CG 3.28Å; Q63-K67 PolarHBondContact O-N 3.14Å; Q63-K67 VanDerWaalsContact O-N 3.08Å; D64-K67 PolarHBondContact O-N 3.3Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.11Å; K67-F69 VanDerWaalsContact C-N 3.32Å; K67-F69 PolarHBondContact O-N 3.02Å; K67-Q70 PolarHBondContact O-N 3.44Å
68T91.8Very high92.3Very high20 Ų2052.5 Ų52.512%0.12325%0.251CS..Hα-helixtrans-62.9-39.9-177.4-59.50000111.4M7 R55 D64 L65M7-T68 HydrophobicContact CE-CG2 3.76Å; M7-T68 HydrophobicContact SD-CG2 3.61Å; R55-T68 PolarHBondContact NH1-OG1 3.18Å; D64-T68 WeakPolarHBondContact O-CB 3.4Å; D64-T68 PolarHBondContact O-N 3.46Å; D64-T68 PolarHBondContact O-OG1 3.02Å; L65-T68 PolarHBondContact O-N 3.06Å
69F94Very high92.3Very high1 Ų152.5 Ų52.50%0.00425%0.251CS..THydrogen-bonded Turntrans-101.618.6-175.7-59.9-39.4000113.1W13 F23 W44 L47 I48 L65 K67 R71 P76 L79W13-F69 HydrophobicContact CH2-CB 3.97Å; W13-F69 HydrophobicContact CH2-CD1 4.33Å; W13-F69 HydrophobicContact CH2-CG 4.48Å; F23-F69 WeakPolarHBondContact CZ-O 3.42Å; W44-F69 HydrophobicContact CE3-CD2 4.34Å; W44-F69 HydrophobicContact CZ3-CB 4.1Å; W44-F69 AromaticContact CZ3-CD2 3.94Å; W44-F69 HydrophobicContact CZ3-CD2 3.94Å; W44-F69 HydrophobicContact CZ3-CG 4.01Å; L47-F69 HydrophobicContact CD1-CE1 4.31Å; L47-F69 HydrophobicContact CD2-CD1 4.02Å; L47-F69 HydrophobicContact CD2-CE1 3.83Å; L47-F69 HydrophobicContact CD2-CZ 4.18Å; L47-F69 HydrophobicContact CG-CD1 4.35Å; L47-F69 HydrophobicContact CG-CE1 3.65Å; L47-F69 HydrophobicContact CG-CZ 3.77Å; I48-F69 HydrophobicContact CG1-CE2 3.83Å; I48-F69 HydrophobicContact CG1-CZ 4.39Å; L65-F69 HydrophobicContact CB-CD2 4.32Å; L65-F69 HydrophobicContact CB-CE2 4.4Å; L65-F69 HydrophobicContact CD2-CD2 4.5Å; L65-F69 HydrophobicContact CD2-CE2 3.8Å; L65-F69 HydrophobicContact CD2-CZ 4.38Å; L65-F69 WeakPolarHBondContact O-CB 3.38Å; L65-F69 WeakPolarHBondContact O-CD2 3.4Å; L65-F69 PolarHBondContact O-N 3.29Å; K67-F69 VanDerWaalsContact C-N 3.32Å; K67-F69 PolarHBondContact O-N 3.02Å; F69-R71 PolarHBondContact O-N 3.49Å; F69-P76 HydrophobicContact CB-CG 3.98Å; F69-L79 HydrophobicContact CD2-CD1 4.16Å; F69-L79 HydrophobicContact CD2-CD2 4.38Å
70Q93.3Very high92.3Very high106 Ų10653.1 Ų53.150%0.49526%0.257SS..  trans-66.2133.5175.1-164.9178.327.800110.2N66 K67 E73 K74 T75N66-Q70 PolarHBondContact O-N 3.25Å; K67-Q70 PolarHBondContact O-N 3.44Å; Q70-E73 PolarHBondContact NE2-O 3.03Å; Q70-K74 CarbonylContact C-O 3.6Å; Q70-K74 WeakPolarHBondContact CA-O 3.48Å; Q70-K74 VanDerWaalsContact CG-O 3.32Å; Q70-K74 WeakPolarHBondContact CG-O 3.45Å; Q70-T75 HydrophobicContact CG-CG2 4.29Å
71R91.8Very high92.3Very high32 Ų3254.7 Ų54.712%0.12127%0.267CS..BIsolated β-bridgetrans-139.9125.4179.5-175.1-178-174.8-99.5-0.5109.4W13 D16 M19 F23 F69 E73 K74W13-R71 HydrophobicContact CZ2-CB 3.96Å; W13-R71 HydrophobicContact CZ2-CG 4.48Å; W13-R71 PolarHBondContact O-NE 3.47Å; W13-R71 PolarHBondContact O-NH2 3.36Å; D16-R71 IonicContact OD1-CZ 2.75Å; D16-R71 VanDerWaalsContact OD1-CZ 3.22Å; D16-R71 IonicContact OD1-NH1 3.97Å; D16-R71 PolarHBondContact OD1-NH1 2.88Å; D16-R71 IonicContact OD1-NH2 3.41Å; D16-R71 PolarHBondContact OD1-NH2 3.44Å; M19-R71 VanDerWaalsContact CB-NH1 3.31Å; F23-R71 HydrophobicContact CE1-CB 3.81Å; F23-R71 HydrophobicContact CE2-CB 4.46Å; F23-R71 HydrophobicContact CZ-CB 3.51Å; F69-R71 PolarHBondContact O-N 3.49Å; R71-E73 PolarHBondContact O-N 3.08Å; R71-K74 PolarHBondContact N-O 2.93Å; R71-K74 WeakPolarHBondContact O-CB 3.26Å; R71-K74 PolarHBondContact O-N 3.32Å
72K90Very high92.4Very high137 Ų13753.7 Ų53.760%0.59626%0.262SS*.THydrogen-bonded Turntrans49.146.5-177.4-61.3178173.6179.80111.2D16 K74D16-K72 IonicContact OD1-NZ 3.67Å; D16-K72 PolarHBondContact OD1-NZ 3.18Å; D16-K72 IonicContact OD2-NZ 2.71Å; D16-K72 PolarHBondContact OD2-NZ 3.49Å; K72-K74 PolarHBondContact O-N 3.43Å
73E89.7Confident92.5Very high175 Ų17553.3 Ų53.382%0.81826%0.26SS*.THydrogen-bonded Turntrans63-2.6-176.5-55.5-178.6163.200116.2Q70 R71Q70-E73 PolarHBondContact NE2-O 3.03Å; R71-E73 PolarHBondContact O-N 3.08Å
74K90.3Very high92.5Very high128 Ų12853.6 Ų53.656%0.55726%0.261SS*.BIsolated β-bridgetrans-87.8148.9175.1-60.3-178.7-177.6-179.40110.9F23 Q70 R71 K72F23-K74 HydrophobicContact CD1-CB 4.04Å; F23-K74 HydrophobicContact CE1-CB 4.24Å; F23-K74 WeakPolarHBondContact CE1-O 3.44Å; Q70-K74 CarbonylContact C-O 3.6Å; Q70-K74 WeakPolarHBondContact CA-O 3.48Å; Q70-K74 VanDerWaalsContact CG-O 3.32Å; Q70-K74 WeakPolarHBondContact CG-O 3.45Å; R71-K74 PolarHBondContact N-O 2.93Å; R71-K74 WeakPolarHBondContact O-CB 3.26Å; R71-K74 PolarHBondContact O-N 3.32Å; K72-K74 PolarHBondContact O-N 3.43Å
75T92.8Very high92.6Very high53 Ų5351.7 Ų51.733%0.32525%0.252SS..  trans-110.2152.816957.40000109.9N66 Q70 L77N66-T75 HydrophobicContact CB-CG2 4.07Å; Q70-T75 HydrophobicContact CG-CG2 4.29Å; T75-L77 PolarHBondContact O-N 2.71Å
76P92.8Very high92.7Very high1 Ų151.8 Ų51.81%0.00625%0.252CS..  trans-75.3120.8-179.5-3.819.7000110.5F23 W44 F69 G78 L79F23-P76 HydrophobicContact CD1-CB 4.29Å; F23-P76 HydrophobicContact CD1-CG 4.31Å; F23-P76 HydrophobicContact CD2-CB 4.18Å; F23-P76 HydrophobicContact CD2-CG 4.33Å; F23-P76 HydrophobicContact CE1-CB 4.49Å; F23-P76 HydrophobicContact CE1-CG 4.02Å; F23-P76 HydrophobicContact CE2-CB 4.35Å; F23-P76 HydrophobicContact CE2-CG 4.01Å; F23-P76 HydrophobicContact CG-CB 4.14Å; F23-P76 HydrophobicContact CG-CG 4.47Å; F23-P76 HydrophobicContact CZ-CG 3.87Å; W44-P76 HydrophobicContact CH2-CB 3.54Å; W44-P76 HydrophobicContact CH2-CG 3.28Å; W44-P76 HydrophobicContact CZ2-CB 3.39Å; W44-P76 HydrophobicContact CZ2-CG 3.75Å; W44-P76 HydrophobicContact CZ3-CB 4.29Å; W44-P76 HydrophobicContact CZ3-CG 3.83Å; F69-P76 HydrophobicContact CB-CG 3.98Å; P76-G78 PolarHBondContact O-N 3.22Å; P76-L79 HydrophobicContact CB-CD1 4.29Å; P76-L79 HydrophobicContact CB-CG 3.99Å; P76-L79 HydrophobicContact CG-CD1 3.85Å; P76-L79 HydrophobicContact CG-CG 4.07Å
77L91.7Very high92.7Very high96 Ų9652.1 Ų52.150%0.50326%0.259SS..THydrogen-bonded Turntrans-68.8-23.5-172.3-58.8174.2000112.7F23 E25 T75F23-L77 WeakPolarHBondContact O-CB 3.49Å; F23-L77 WeakPolarHBondContact O-CG 3.36Å; F23-L77 PolarHBondContact O-N 3.47Å; E25-L77 HydrophobicContact CG-CB 3.51Å; E25-L77 HydrophobicContact CG-CD1 3.77Å; E25-L77 HydrophobicContact CG-CG 4.26Å; T75-L77 PolarHBondContact O-N 2.71Å
78G90.8Very high92.7Very high1 Ų155.9 Ų55.91%0.0127%0.27CS..THydrogen-bonded Turntrans-84.6-6.4-17600000116.5F26 P76 S80 T81 V82F26-G78 WeakPolarHBondContact CE2-O 3.33Å; P76-G78 PolarHBondContact O-N 3.22Å; G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 3.28Å; G78-T81 WeakPolarHBondContact O-CB 3.43Å; G78-T81 PolarHBondContact O-N 3.38Å; G78-V82 WeakPolarHBondContact O-CG2 3.44Å; G78-V82 PolarHBondContact O-N 2.89Å; G78-V82 VanDerWaalsContact O-N 3.13Å
79L94.1Very high92.8Very high1 Ų158.5 Ų58.51%0.00529%0.288CS..Hα-helixtrans-61.5-32.9-171.4-72.1179.8000113.8W44 I48 L62 L65 F69 P76 T81 V82 I83W44-L79 HydrophobicContact CD2-CD2 3.9Å; W44-L79 HydrophobicContact CE3-CD2 3.67Å; W44-L79 HydrophobicContact CG-CD2 4.27Å; W44-L79 HydrophobicContact CZ3-CD2 4.23Å; I48-L79 HydrophobicContact CD1-CD2 4.4Å; L62-L79 HydrophobicContact CD1-CB 3.55Å; L65-L79 HydrophobicContact CB-CD1 3.98Å; F69-L79 HydrophobicContact CD2-CD1 4.16Å; F69-L79 HydrophobicContact CD2-CD2 4.38Å; P76-L79 HydrophobicContact CB-CD1 4.29Å; P76-L79 HydrophobicContact CB-CG 3.99Å; P76-L79 HydrophobicContact CG-CD1 3.85Å; P76-L79 HydrophobicContact CG-CG 4.07Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.21Å; L79-V82 PolarHBondContact O-N 3.41Å; L79-I83 WeakPolarHBondContact O-CG1 3.43Å; L79-I83 PolarHBondContact O-N 3.28Å
80S92.4Very high92.8Very high39 Ų3960.7 Ų60.727%0.27331%0.311SS..Hα-helixtrans-60.4-41.4174.859.20000111.9G78 I83 Q84G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 3.28Å; S80-I83 PolarHBondContact O-N 3.43Å; S80-Q84 WeakPolarHBondContact O-CG 3.4Å; S80-Q84 PolarHBondContact O-N 2.93Å
81T92.6Very high92.9Very high39 Ų3960.3 Ų60.324%0.23931%0.308CS..Hα-helixtrans-67.3-37.6177-55.50000111.3F26 W37 M41 G78 L79 Q84 T85F26-T81 HydrophobicContact CB-CG2 4.17Å; F26-T81 HydrophobicContact CD1-CG2 4.4Å; F26-T81 HydrophobicContact CD2-CG2 3.89Å; F26-T81 HydrophobicContact CE2-CG2 4.41Å; F26-T81 HydrophobicContact CG-CG2 3.89Å; W37-T81 HydrophobicContact CZ2-CG2 4.39Å; M41-T81 HydrophobicContact CE-CG2 4.32Å; G78-T81 WeakPolarHBondContact O-CB 3.43Å; G78-T81 PolarHBondContact O-N 3.38Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.21Å; T81-Q84 PolarHBondContact O-N 3.04Å; T81-T85 WeakPolarHBondContact O-CB 3.31Å; T81-T85 PolarHBondContact O-N 3.45Å; T81-T85 PolarHBondContact O-OG1 2.88Å
82V95.2Very high93.1Very high0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-63.4-49.4175.9179.20000110.6F26 M41 W44 I48 G78 L79 Q84 T85 M86F26-V82 HydrophobicContact CE2-CG2 3.68Å; F26-V82 HydrophobicContact CZ-CG2 3.7Å; M41-V82 HydrophobicContact CE-CG2 4.13Å; M41-V82 HydrophobicContact SD-CB 4.12Å; M41-V82 HydrophobicContact SD-CG1 3.96Å; M41-V82 HydrophobicContact SD-CG2 3.98Å; W44-V82 HydrophobicContact CB-CB 4.4Å; W44-V82 HydrophobicContact CB-CG1 3.99Å; W44-V82 HydrophobicContact CB-CG2 3.66Å; W44-V82 HydrophobicContact CG-CG2 4.13Å; I48-V82 HydrophobicContact CD1-CG1 3.71Å; G78-V82 WeakPolarHBondContact O-CG2 3.44Å; G78-V82 PolarHBondContact O-N 2.89Å; G78-V82 VanDerWaalsContact O-N 3.13Å; L79-V82 PolarHBondContact O-N 3.41Å; V82-Q84 VanDerWaalsContact C-N 3.35Å; V82-Q84 PolarHBondContact O-N 3.47Å; V82-T85 PolarHBondContact O-N 2.94Å; V82-M86 HydrophobicContact CG1-CG 4.28Å; V82-M86 HydrophobicContact CG1-SD 3.93Å; V82-M86 WeakPolarHBondContact O-CB 3.41Å; V82-M86 VanDerWaalsContact O-CG 3.3Å; V82-M86 WeakPolarHBondContact O-CG 3.42Å; V82-M86 PolarHBondContact O-N 2.99Å
83I94.8Very high93.2Very high1 Ų155 Ų551%0.00529%0.286CS..Hα-helixtrans-58.3-47.1177.3-67.2171.9000110.7L62 L65 L79 S80 T85 M86 A87 I92 V132 F138L62-I83 HydrophobicContact CB-CD1 3.65Å; L62-I83 HydrophobicContact CD1-CD1 3.85Å; L62-I83 HydrophobicContact CG-CD1 4.26Å; L65-I83 HydrophobicContact CD1-CD1 4.03Å; L65-I83 HydrophobicContact CD1-CG1 4.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.43Å; L79-I83 PolarHBondContact O-N 3.28Å; S80-I83 PolarHBondContact O-N 3.43Å; I83-T85 VanDerWaalsContact C-N 3.32Å; I83-T85 PolarHBondContact O-N 3.35Å; I83-M86 PolarHBondContact O-N 3.23Å; I83-A87 WeakPolarHBondContact O-CB 3.33Å; I83-A87 PolarHBondContact O-N 2.94Å; I83-I92 HydrophobicContact CB-CD1 4.4Å; I83-I92 HydrophobicContact CG2-CD1 3.72Å; I83-I92 WeakPolarHBondContact O-CD1 3.34Å; I83-V132 HydrophobicContact CB-CG2 4.45Å; I83-V132 HydrophobicContact CG2-CG1 4.09Å; I83-V132 HydrophobicContact CG2-CG2 4.19Å; I83-F138 HydrophobicContact CG2-CD1 4.47Å; I83-F138 HydrophobicContact CG2-CD2 3.88Å; I83-F138 HydrophobicContact CG2-CE1 4.27Å; I83-F138 HydrophobicContact CG2-CE2 3.67Å; I83-F138 HydrophobicContact CG2-CG 4.3Å; I83-F138 HydrophobicContact CG2-CZ 3.87Å
84Q92.1Very high93.1Very high70 Ų7051 Ų5133%0.32726%0.264SS..Hα-helixtrans-60.3-42.3177.8-72.6173.35.200112.5S80 T81 V82 A87 R88 N130 V132S80-Q84 WeakPolarHBondContact O-CG 3.4Å; S80-Q84 PolarHBondContact O-N 2.93Å; T81-Q84 PolarHBondContact O-N 3.04Å; V82-Q84 VanDerWaalsContact C-N 3.35Å; V82-Q84 PolarHBondContact O-N 3.47Å; Q84-A87 PolarHBondContact O-N 3.47Å; Q84-R88 WeakPolarHBondContact O-CB 3.29Å; Q84-R88 PolarHBondContact O-N 3.49Å; Q84-N130 PolarHBondContact NE2-O 3.24Å; Q84-V132 HydrophobicContact CG-CG2 3.42Å; Q84-V132 VanDerWaalsContact CG-CG2 3.42Å
85T93.2Very high92.9Very high24 Ų2446.3 Ų46.315%0.14724%0.244CC..Hα-helixtrans-66.1-44.7178.5-600000110.9W37 M41 T81 V82 I83 A87 R88 C89W37-T85 HydrophobicContact CH2-CG2 4Å; M41-T85 HydrophobicContact CE-CG2 3.89Å; M41-T85 WeakPolarHBondContact CE-OG1 3.49Å; M41-T85 HydrophobicContact CG-CG2 4.26Å; M41-T85 HydrophobicContact SD-CG2 3.84Å; T81-T85 WeakPolarHBondContact O-CB 3.31Å; T81-T85 PolarHBondContact O-N 3.45Å; T81-T85 PolarHBondContact O-OG1 2.88Å; V82-T85 PolarHBondContact O-N 2.94Å; I83-T85 VanDerWaalsContact C-N 3.32Å; I83-T85 PolarHBondContact O-N 3.35Å; T85-A87 VanDerWaalsContact C-N 3.3Å; T85-A87 PolarHBondContact O-N 3.21Å; T85-R88 PolarHBondContact O-N 3.11Å; T85-C89 PolarHBondContact O-N 3.41Å; T85-C89 PolarHBondContact O-SG 2.69Å
86M95.8Very high92.2Very high3 Ų346.6 Ų46.62%0.01525%0.248CC..Hα-helixtrans-59.9-39.5175-72.5179.378.600111.8T45 I48 M49 V82 I83 C89 G90 K91 I92T45-M86 HydrophobicContact CG2-CE 4.12Å; T45-M86 HydrophobicContact CG2-CG 4.33Å; T45-M86 HydrophobicContact CG2-SD 4.26Å; I48-M86 HydrophobicContact CD1-SD 4.07Å; I48-M86 HydrophobicContact CG2-CE 4.36Å; M49-M86 HydrophobicContact CG-CE 4.49Å; M49-M86 HydrophobicContact SD-CE 4.15Å; V82-M86 HydrophobicContact CG1-CG 4.28Å; V82-M86 HydrophobicContact CG1-SD 3.93Å; V82-M86 WeakPolarHBondContact O-CB 3.41Å; V82-M86 VanDerWaalsContact O-CG 3.3Å; V82-M86 WeakPolarHBondContact O-CG 3.42Å; V82-M86 PolarHBondContact O-N 2.99Å; I83-M86 PolarHBondContact O-N 3.23Å; M86-C89 PolarHBondContact O-SG 3.11Å; M86-C89 VanDerWaalsContact O-SG 3.39Å; M86-G90 PolarHBondContact O-N 3.29Å; M86-K91 HydrophobicContact CB-CB 4.24Å; M86-K91 HydrophobicContact CE-CB 4.38Å; M86-K91 PolarHBondContact O-N 2.78Å; M86-I92 HydrophobicContact CB-CD1 3.75Å; M86-I92 HydrophobicContact CB-CG1 3.83Å; M86-I92 HydrophobicContact CB-CG2 4.27Å; M86-I92 HydrophobicContact CE-CG2 3.73Å; M86-I92 PolarHBondContact O-N 3.35Å
87A93.6Very high91.8Very high37 Ų3750.6 Ų50.631%0.30627%0.267SS..Hα-helixtrans-68.1-46.5177.100000111.1I83 Q84 T85 C89 G90 I92I83-A87 WeakPolarHBondContact O-CB 3.33Å; I83-A87 PolarHBondContact O-N 2.94Å; Q84-A87 PolarHBondContact O-N 3.47Å; T85-A87 VanDerWaalsContact C-N 3.3Å; T85-A87 PolarHBondContact O-N 3.21Å; A87-C89 VanDerWaalsContact C-N 3.29Å; A87-C89 PolarHBondContact O-N 2.87Å; A87-G90 PolarHBondContact O-N 3.33Å; A87-I92 WeakPolarHBondContact CA-O 3.49Å; A87-I92 HydrophobicContact CB-CD1 4.32Å; A87-I92 HydrophobicContact CB-CG1 3.9Å
88R93.3Very high91.5Very high209 Ų20946.1 Ų46.179%0.78924%0.243SC*.Hα-helixtrans-61.1-35.7178.7-172.2178.869.2111-0.8112.9Q84 T85 G90Q84-R88 WeakPolarHBondContact O-CB 3.29Å; Q84-R88 PolarHBondContact O-N 3.49Å; T85-R88 PolarHBondContact O-N 3.11Å; R88-G90 VanDerWaalsContact C-N 3.32Å
89C93.9Very high91Very high75 Ų7546.2 Ų46.251%0.50724%0.244SC..THydrogen-bonded Turntrans-88.95.3176.570.70000113.9T85 M86 A87 K91T85-C89 PolarHBondContact O-N 3.41Å; T85-C89 PolarHBondContact O-SG 2.69Å; M86-C89 PolarHBondContact O-SG 3.11Å; M86-C89 VanDerWaalsContact O-SG 3.39Å; A87-C89 VanDerWaalsContact C-N 3.29Å; A87-C89 PolarHBondContact O-N 2.87Å; C89-K91 VanDerWaalsContact C-N 3.3Å; C89-K91 PolarHBondContact O-N 2.84Å
90G93.7Very high90.2Very high47 Ų4749.4 Ų49.449%0.48527%0.271SS..THydrogen-bonded Turntrans74.312.8175.300000115.3M86 A87 R88 I92M86-G90 PolarHBondContact O-N 3.29Å; A87-G90 PolarHBondContact O-N 3.33Å; R88-G90 VanDerWaalsContact C-N 3.32Å; G90-I92 VanDerWaalsContact C-N 3.31Å
91K96.2Very high89.3Confident99 Ų9950.1 Ų50.143%0.4328%0.276SS..SBendtrans-70-32.5173.2-72.6-177.9-179.1-175.50111.8T45 M86 C89 I141T45-K91 HydrophobicContact CG2-CD 4.13Å; M86-K91 HydrophobicContact CB-CB 4.24Å; M86-K91 HydrophobicContact CE-CB 4.38Å; M86-K91 PolarHBondContact O-N 2.78Å; C89-K91 VanDerWaalsContact C-N 3.3Å; C89-K91 PolarHBondContact O-N 2.84Å; K91-I141 PolarHBondContact O-N 2.98Å; K91-I141 VanDerWaalsContact O-N 3.08Å
92I96.1Very high88.2Confident3 Ų348.9 Ų48.92%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-129.9157.717469.3-177.6000110.3I83 M86 A87 G90 F138 V139 V140I83-I92 HydrophobicContact CB-CD1 4.4Å; I83-I92 HydrophobicContact CG2-CD1 3.72Å; I83-I92 WeakPolarHBondContact O-CD1 3.34Å; M86-I92 HydrophobicContact CB-CD1 3.75Å; M86-I92 HydrophobicContact CB-CG1 3.83Å; M86-I92 HydrophobicContact CB-CG2 4.27Å; M86-I92 HydrophobicContact CE-CG2 3.73Å; M86-I92 PolarHBondContact O-N 3.35Å; A87-I92 WeakPolarHBondContact CA-O 3.49Å; A87-I92 HydrophobicContact CB-CD1 4.32Å; A87-I92 HydrophobicContact CB-CG1 3.9Å; G90-I92 VanDerWaalsContact C-N 3.31Å; I92-F138 HydrophobicContact CB-CB 4.12Å; I92-F138 HydrophobicContact CD1-CB 3.86Å; I92-F138 HydrophobicContact CD1-CD1 3.91Å; I92-F138 HydrophobicContact CD1-CG 3.89Å; I92-F138 HydrophobicContact CG1-CB 4.21Å; I92-F138 HydrophobicContact CG1-CD1 4.14Å; I92-F138 HydrophobicContact CG1-CG 4.43Å; I92-V139 CarbonylContact C-O 3.56Å; I92-V139 WeakPolarHBondContact CA-O 3.36Å; I92-V139 WeakPolarHBondContact CB-O 3.5Å; I92-V140 HydrophobicContact CG2-CG2 4.11Å
93Q91.4Very high86.5Confident53 Ų5355.6 Ų55.625%0.24830%0.304CS..EExtended strand (participates in β ladder)trans-137152.2175.1-173.7175.412.900109.1E95 E97 F98 F138 V139 I141Q93-E95 PolarHBondContact O-N 3.49Å; Q93-E97 HydrophobicContact CG-CB 4Å; Q93-F98 HydrophobicContact CG-CB 4.45Å; Q93-F138 CarbonylContact O-C 3.54Å; Q93-F138 WeakPolarHBondContact O-CA 3.32Å; Q93-V139 PolarHBondContact N-O 3.23Å; Q93-V139 PolarHBondContact O-N 3.4Å; Q93-I141 HydrophobicContact CB-CD1 3.82Å; Q93-I141 HydrophobicContact CB-CG1 4.42Å
94R88.6Confident84.4Confident92 Ų9260.6 Ų60.635%0.34734%0.337SS..EExtended strand (participates in β ladder)trans-59.3138.8172.6-60.7-178.1-155.5-171.213.9109.6S96 E97 F98 E136 F138R94-S96 PolarHBondContact O-N 3.22Å; R94-E97 HydrophobicContact CB-CB 4.16Å; R94-E97 HydrophobicContact CB-CG 3.94Å; R94-E97 VanDerWaalsContact CD-OE1 3.26Å; R94-E97 WeakPolarHBondContact CD-OE1 3.38Å; R94-E97 IonicContact CZ-OE1 2.83Å; R94-E97 IonicContact NE-OE1 3.63Å; R94-E97 PolarHBondContact NE-OE1 2.91Å; R94-E97 PolarHBondContact O-N 2.98Å; R94-E97 VanDerWaalsContact O-N 3.14Å; R94-F98 PolarHBondContact O-N 3.38Å; R94-E136 VanDerWaalsContact CD-OE1 3.3Å; R94-E136 WeakPolarHBondContact CD-OE1 3.48Å; R94-E136 IonicContact CZ-OE1 3.09Å; R94-E136 IonicContact NE-OE1 3.31Å; R94-E136 IonicContact NH1-OE1 3.11Å; R94-E136 PolarHBondContact NH1-OE1 3.49Å; R94-F138 HydrophobicContact CG-CD1 4.14Å; R94-F138 HydrophobicContact CG-CE1 3.74Å; R94-F138 HydrophobicContact CG-CZ 4.46Å
95E84.8Confident82.5Confident29 Ų2958.6 Ų58.614%0.13634%0.336CS..Hα-helixtrans-56.1-41.4179.9-176.5-178.7-172.300112.3Q93 F98 A99 L114 S137 V139 M187Q93-E95 PolarHBondContact O-N 3.49Å; E95-F98 PolarHBondContact O-N 3.14Å; E95-A99 WeakPolarHBondContact O-CB 3.47Å; E95-A99 PolarHBondContact O-N 3.28Å; E95-L114 HydrophobicContact CG-CD2 3.85Å; E95-L114 WeakPolarHBondContact OE1-CD2 3.45Å; E95-S137 PolarHBondContact N-O 2.89Å; E95-S137 WeakPolarHBondContact OE2-CB 3.49Å; E95-S137 PolarHBondContact OE2-OG 2.95Å; E95-V139 HydrophobicContact CB-CG2 3.95Å; E95-V139 HydrophobicContact CG-CG2 4.07Å; E95-M187 HydrophobicContact CG-CE 4.17Å; E95-M187 HydrophobicContact CG-SD 4.45Å
96S79Confident80.9Confident60 Ų6058.4 Ų58.442%0.4233%0.333SS..Hα-helixtrans-63.9-42.8176.853.80000113.1R94 A99 A100R94-S96 PolarHBondContact O-N 3.22Å; S96-A99 PolarHBondContact O-N 2.93Å; S96-A100 VanDerWaalsContact O-CB 3.26Å; S96-A100 WeakPolarHBondContact O-CB 3.31Å; S96-A100 PolarHBondContact O-N 3.48Å
97E84.3Confident78.7Confident85 Ų8561.1 Ų61.140%0.39735%0.349SS..Hα-helixtrans-68.2-37.7177.4-67.3173.1-17600111.5Q93 R94 A100 S101Q93-E97 HydrophobicContact CG-CB 4Å; R94-E97 HydrophobicContact CB-CB 4.16Å; R94-E97 HydrophobicContact CB-CG 3.94Å; R94-E97 VanDerWaalsContact CD-OE1 3.26Å; R94-E97 WeakPolarHBondContact CD-OE1 3.38Å; R94-E97 IonicContact CZ-OE1 2.83Å; R94-E97 IonicContact NE-OE1 3.63Å; R94-E97 PolarHBondContact NE-OE1 2.91Å; R94-E97 PolarHBondContact O-N 2.98Å; R94-E97 VanDerWaalsContact O-N 3.14Å; E97-A100 PolarHBondContact O-N 3.34Å; E97-S101 PolarHBondContact O-N 3Å
98F85.6Confident76.6Confident1 Ų163.6 Ų63.60%0.00436%0.364CS..Hα-helixtrans-63.8-48175.4-174.6-98000110.8Q93 R94 E95 A100 S101 V139 I141 V144 M187 L190 Q191Q93-F98 HydrophobicContact CG-CB 4.45Å; R94-F98 PolarHBondContact O-N 3.38Å; E95-F98 PolarHBondContact O-N 3.14Å; F98-A100 PolarHBondContact O-N 3.43Å; F98-S101 WeakPolarHBondContact O-CB 3.42Å; F98-S101 PolarHBondContact O-N 3.24Å; F98-S101 VanDerWaalsContact O-N 3.17Å; F98-S101 PolarHBondContact O-OG 3.13Å; F98-V139 HydrophobicContact CB-CB 4.43Å; F98-V139 HydrophobicContact CB-CG2 4.25Å; F98-V139 HydrophobicContact CD1-CG1 4.25Å; F98-V139 HydrophobicContact CD1-CG2 4.33Å; F98-V139 HydrophobicContact CD2-CG1 4.38Å; F98-V139 HydrophobicContact CE1-CG1 4.46Å; F98-V139 HydrophobicContact CG-CB 4.37Å; F98-V139 HydrophobicContact CG-CG1 4.22Å; F98-V139 HydrophobicContact CG-CG2 4.36Å; F98-I141 HydrophobicContact CD2-CD1 3.83Å; F98-I141 HydrophobicContact CE2-CD1 4Å; F98-V144 HydrophobicContact CE1-CG1 4.32Å; F98-V144 HydrophobicContact CZ-CG1 3.87Å; F98-M187 HydrophobicContact CD1-SD 3.76Å; F98-M187 HydrophobicContact CE1-SD 4.07Å; F98-L190 HydrophobicContact CD1-CB 4.45Å; F98-L190 HydrophobicContact CD1-CD1 4.05Å; F98-L190 HydrophobicContact CE1-CB 3.74Å; F98-L190 HydrophobicContact CE1-CD1 4.11Å; F98-Q191 HydrophobicContact CZ-CB 4.18Å
99A81.1Confident74.5Confident3 Ų356.3 Ų56.33%0.02534%0.337CS..Hα-helixtrans-64.4-37177.400000113.1E95 S96 S101 V107 L114 L190E95-A99 WeakPolarHBondContact O-CB 3.47Å; E95-A99 PolarHBondContact O-N 3.28Å; S96-A99 PolarHBondContact O-N 2.93Å; A99-S101 PolarHBondContact O-N 2.81Å; A99-V107 WeakPolarHBondContact O-CG2 3.14Å; A99-L114 HydrophobicContact CB-CD1 3.43Å; A99-L114 VanDerWaalsContact CB-CD1 3.43Å; A99-L190 HydrophobicContact CB-CD1 4.06Å
100A76.5Confident72.3Confident69 Ų6953.8 Ų53.857%0.5732%0.32SS*.Hα-helixtrans-71.7-13.6176.400000113.6S96 E97 F98 V102S96-A100 VanDerWaalsContact O-CB 3.26Å; S96-A100 WeakPolarHBondContact O-CB 3.31Å; S96-A100 PolarHBondContact O-N 3.48Å; E97-A100 PolarHBondContact O-N 3.34Å; F98-A100 PolarHBondContact O-N 3.43Å; A100-V102 PolarHBondContact O-N 3.2Å
101S72.6Confident70.1Confident54 Ų5457 Ų5738%0.37833%0.329SS..THydrogen-bonded Turntrans-75.5-2.9179.7770000114.4E97 F98 A99E97-S101 PolarHBondContact O-N 3Å; F98-S101 WeakPolarHBondContact O-CB 3.42Å; F98-S101 PolarHBondContact O-N 3.24Å; F98-S101 VanDerWaalsContact O-N 3.17Å; F98-S101 PolarHBondContact O-OG 3.13Å; A99-S101 PolarHBondContact O-N 2.81Å
102V70.6Confident67.9Low12 Ų1255.1 Ų55.17%0.07334%0.339CS..SBendtrans-115.8135.8179.1-178.10000109.2A100 W106 L190 Q193 K194A100-V102 PolarHBondContact O-N 3.2Å; V102-W106 HydrophobicContact CG1-CB 4.42Å; V102-L190 HydrophobicContact CB-CD2 3.87Å; V102-L190 HydrophobicContact CG1-CD2 4.37Å; V102-L190 HydrophobicContact CG2-CD2 3.68Å; V102-Q193 HydrophobicContact CG1-CB 4.07Å; V102-Q193 HydrophobicContact CG1-CG 3.57Å; V102-K194 HydrophobicContact CG2-CB 4.1Å
103D59Low65.6Low142 Ų14258.2 Ų58.276%0.75935%0.354SS*.  trans-52.1156.7-176.3-74.9-40.4000113.6G105 W106D103-G105 PolarHBondContact O-N 2.94Å; D103-W106 PolarHBondContact O-N 3.01Å
104C50.4Low63.7Low105 Ų10557.9 Ų57.971%0.70935%0.354SS*.THydrogen-bonded Turntrans-42.4-17.8-167-49.60000118S108C104-S108 VanDerWaalsContact O-CB 3.23Å; C104-S108 WeakPolarHBondContact O-CB 3.45Å; C104-S108 PolarHBondContact O-N 2.93Å
105G53.1Low61.6Low29 Ų2959.4 Ų59.430%0.29937%0.368SS..THydrogen-bonded Turntrans-53.5-60.9172.300000110.6D103 V107 W109D103-G105 PolarHBondContact O-N 2.94Å; G105-V107 PolarHBondContact O-N 3.35Å; G105-W109 WeakPolarHBondContact O-CH2 3.3Å; G105-W109 WeakPolarHBondContact O-CZ2 3.33Å; G105-W109 WeakPolarHBondContact O-CZ3 3.41Å
106W58.4Low59.7Low20 Ų2063.5 Ų63.58%0.07640%0.395CS..THydrogen-bonded Turntrans-65.9-42.5-175.7-175.2-88.1000113.5V102 D103 S108 W109 S110 C186 L189 L190 V200V102-W106 HydrophobicContact CG1-CB 4.42Å; D103-W106 PolarHBondContact O-N 3.01Å; W106-S108 PolarHBondContact O-N 3.42Å; W106-W109 PolarHBondContact O-N 3.47Å; W106-S110 PolarHBondContact O-N 3.39Å; W106-C186 HydrophobicContact CH2-CB 3.85Å; W106-C186 HydrophobicContact CZ2-CB 3.68Å; W106-L189 HydrophobicContact CH2-CB 4.18Å; W106-L189 HydrophobicContact CH2-CD1 4.47Å; W106-L189 HydrophobicContact CZ3-CB 4.09Å; W106-L189 HydrophobicContact CZ3-CD1 4.45Å; W106-L190 HydrophobicContact CB-CD2 4.03Å; W106-L190 HydrophobicContact CD2-CD2 3.68Å; W106-L190 HydrophobicContact CD2-CG 3.84Å; W106-L190 VanDerWaalsContact CE2-CG 3.44Å; W106-L190 HydrophobicContact CG-CD2 3.37Å; W106-L190 HydrophobicContact CG-CG 4.04Å; W106-L190 HydrophobicContact CZ2-CD1 4.17Å; W106-L190 HydrophobicContact CZ2-CG 3.86Å; W106-V200 HydrophobicContact CE3-CB 3.99Å; W106-V200 HydrophobicContact CE3-CG1 4.01Å; W106-V200 HydrophobicContact CE3-CG2 3.94Å; W106-V200 HydrophobicContact CZ3-CB 4.15Å; W106-V200 HydrophobicContact CZ3-CG1 3.91Å; W106-V200 HydrophobicContact CZ3-CG2 3.8Å
107V51Low58Low60 Ų6066.4 Ų66.436%0.36440%0.4SS..THydrogen-bonded Turntrans-70.6-29.4-174.9-175.50000112.5A99 G105 W109 S110A99-V107 WeakPolarHBondContact O-CG2 3.14Å; G105-V107 PolarHBondContact O-N 3.35Å; V107-W109 PolarHBondContact O-N 2.87Å; V107-S110 PolarHBondContact O-N 3.39Å; V107-S110 PolarHBondContact O-OG 2.89Å; V107-S110 VanDerWaalsContact O-OG 3.13Å
108S49.2Very low55.9Low88 Ų8868 Ų6862%0.61542%0.417SS*.THydrogen-bonded Turntrans-66.6-14.2174.2-170.80000113.2C104 W106C104-S108 VanDerWaalsContact O-CB 3.23Å; C104-S108 WeakPolarHBondContact O-CB 3.45Å; C104-S108 PolarHBondContact O-N 2.93Å; W106-S108 PolarHBondContact O-N 3.42Å
109W49.5Very low54Low57 Ų5775.6 Ų75.622%0.21646%0.457CS..THydrogen-bonded Turntrans-108.8-13.5-178-47.3-39.6000113.5G105 W106 V107 V111 V200G105-W109 WeakPolarHBondContact O-CH2 3.3Å; G105-W109 WeakPolarHBondContact O-CZ2 3.33Å; G105-W109 WeakPolarHBondContact O-CZ3 3.41Å; W106-W109 PolarHBondContact O-N 3.47Å; V107-W109 PolarHBondContact O-N 2.87Å; W109-V111 VanDerWaalsContact C-N 3.27Å; W109-V111 PolarHBondContact O-N 3.17Å; W109-V200 HydrophobicContact CE3-CG1 4.01Å; W109-V200 VanDerWaalsContact CH2-C 3.5Å; W109-V200 WeakPolarHBondContact CH2-O 3.48Å; W109-V200 HydrophobicContact CZ3-CB 3.78Å; W109-V200 HydrophobicContact CZ3-CG1 3.68Å; W109-V200 VanDerWaalsContact CZ3-O 3.3Å; W109-V200 WeakPolarHBondContact CZ3-O 3.22Å
110S48.2Very low52.4Low21 Ų2181.8 Ų81.815%0.14748%0.484CS..G310 helixtrans-79.1-0.6-173.761.60000115.2W106 V107 G112 M113 L114W106-S110 PolarHBondContact O-N 3.39Å; V107-S110 PolarHBondContact O-N 3.39Å; V107-S110 PolarHBondContact O-OG 2.89Å; V107-S110 VanDerWaalsContact O-OG 3.13Å; S110-G112 PolarHBondContact O-N 3.08Å; S110-G112 VanDerWaalsContact O-N 3.13Å; S110-M113 PolarHBondContact O-N 3.35Å; S110-L114 PolarHBondContact O-N 3.14Å
111V47.2Very low51.1Low114 Ų11489 Ų8969%0.69150%0.496SS*.G310 helixtrans-60.4-22.3175.5-175.20000112W109W109-V111 VanDerWaalsContact C-N 3.27Å; W109-V111 PolarHBondContact O-N 3.17Å
112G48.8Very low49.7Very low61 Ų6191.9 Ų91.963%0.62951%0.512SS*.G310 helixtrans-94.9-20.6177.300000116.4S110S110-G112 PolarHBondContact O-N 3.08Å; S110-G112 VanDerWaalsContact O-N 3.13Å
113M48.3Very low48Very low68 Ų6898.7 Ų98.734%0.33554%0.541SS..THydrogen-bonded Turntrans-119.1-26.5-169.1-152.1147.1167.900113.5S110 F168 E182 C186S110-M113 PolarHBondContact O-N 3.35Å; M113-F168 HydrophobicContact CE-CZ 4.24Å; M113-E182 HydrophobicContact CE-CB 3.51Å; M113-E182 WeakPolarHBondContact CE-OE2 3.34Å; M113-C186 WeakPolarHBondContact CE-SG 3.34Å
114L51.2Low47Very low45 Ų4596.1 Ų96.124%0.23653%0.533CS..SBendtrans-100.742175.9-70.3178.2000112.6E95 A99 S110 M187E95-L114 HydrophobicContact CG-CD2 3.85Å; E95-L114 WeakPolarHBondContact OE1-CD2 3.45Å; A99-L114 HydrophobicContact CB-CD1 3.43Å; A99-L114 VanDerWaalsContact CB-CD1 3.43Å; S110-L114 PolarHBondContact O-N 3.14Å; L114-M187 HydrophobicContact CD2-CE 4.14Å
115L45.9Very low46.6Very low125 Ų12596.8 Ų96.865%0.65453%0.534SS*.  trans88.798.6178.3-54.8149.9000115.4K117L115-K117 HydrophobicContact CB-CB 4.28Å; L115-K117 HydrophobicContact CD2-CB 4.49Å; L115-K117 HydrophobicContact CD2-CD 4.33Å; L115-K117 HydrophobicContact CD2-CG 4.38Å; L115-K117 PolarHBondContact O-N 3.46Å
116V44.8Very low46Very low114 Ų114102.2 Ų102.269%0.69156%0.556SS**SBendtrans-64.468.9139.2-155.90000108.5
117K43Very low45.1Very low122 Ų122107.3 Ų107.353%0.5358%0.584SS.*  trans-140.778.3160.1-70.4-168.5-179.7168.90109L115 L119L115-K117 HydrophobicContact CB-CB 4.28Å; L115-K117 HydrophobicContact CD2-CB 4.49Å; L115-K117 HydrophobicContact CD2-CD 4.33Å; L115-K117 HydrophobicContact CD2-CG 4.38Å; L115-K117 PolarHBondContact O-N 3.46Å; K117-L119 PolarHBondContact O-N 3.42Å
118P40.3Very low44.5Very low117 Ų117108.5 Ų108.576%0.7661%0.609SS**THydrogen-bonded Turntrans-7024.8178.2-5.221.2000114.2
119L45Very low44.3Very low161 Ų161107.9 Ų107.984%0.84360%0.604SS**THydrogen-bonded Turntrans-134.1-2.8-167.1-74.2167.9000116.3K117K117-L119 PolarHBondContact O-N 3.42Å
120K47.5Very low44.5Very low134 Ų134112 Ų11258%0.58363%0.63SS**SBendtrans-108.9-0.3174.9-67.6-165.2-179.9-171.80114.2E135K120-E135 VanDerWaalsContact NZ-CD 3.31Å; K120-E135 IonicContact NZ-OE1 2.72Å; K120-E135 PolarHBondContact NZ-OE1 2.84Å; K120-E135 VanDerWaalsContact NZ-OE1 3.09Å; K120-E135 IonicContact NZ-OE2 3.22Å; K120-E135 PolarHBondContact NZ-OE2 3.41Å
121W48.9Very low45.4Very low221 Ų221121 Ų12184%0.83766%0.661SS**SBendtrans-98.67.6-165.5-155.256.3000115.5
122T42.5Very low46.7Very low114 Ų114116.3 Ų116.370%0.69963%0.633SS**SBendtrans-122101.4171.951.40000108.1
123F35.7Very low48.4Very low155 Ų155116 Ų11668%0.6862%0.62SS**SBendtrans160.5-12.8140.1-101.7-91.2000116T125F123-T125 PolarHBondContact O-N 3Å
124S39.3Very low50Low87 Ų87117.2 Ų117.261%0.60863%0.627SS**THydrogen-bonded Turntrans-79.6-14.9-175.453.70000115.3
125T40.7Very low51.6Low119 Ų119120.1 Ų120.173%0.7364%0.639SS**THydrogen-bonded Turntrans-87.1-9.2178.3-17.50000113.8F123F123-T125 PolarHBondContact O-N 3Å
126L40.8Very low53.5Low143 Ų143116.4 Ų116.475%0.74962%0.618SS**SBendtrans-97.7-9.9-178.7-69.6175.3000113.9
127L39.7Very low55.6Low128 Ų128112.5 Ų112.567%0.6760%0.597SS**SBendtrans-119.9109.5171.4-64.5171.9000106.2S129L127-S129 PolarHBondContact O-N 3.19Å
128G38.5Very low58Low85 Ų85107 Ų10788%0.87657%0.573SS**  trans-6061-176.500000114.8
129S45.4Very low60.6Low74 Ų74101.5 Ų101.552%0.51754%0.537SS..  trans-84.8109.8172.2-178.60000107.3L127 R131L127-S129 PolarHBondContact O-N 3.19Å; S129-R131 PolarHBondContact O-N 2.84Å; S129-R131 WeakPolarHBondContact OG-CB 3.37Å; S129-R131 WeakPolarHBondContact OG-CG 3.44Å
130N53.9Low63.1Low143 Ų14393.8 Ų93.877%0.76550%0.496SS*.  trans-67.436.3169.8-74.7-13.3000112Q84Q84-N130 PolarHBondContact NE2-O 3.24Å
131R67.3Low65.4Low210 Ų21088.7 Ų88.779%0.79248%0.475SS*.  trans-112.2126.3-178.8-64.8-175.5177.6-172-0.6109.4S129 P133S129-R131 PolarHBondContact O-N 2.84Å; S129-R131 WeakPolarHBondContact OG-CB 3.37Å; S129-R131 WeakPolarHBondContact OG-CG 3.44Å; R131-P133 WeakPolarHBondContact O-CD 3.26Å
132V74.1Confident67.7Low17 Ų1783 Ų8310%0.10346%0.458CS..  trans-69.2120.6172.1-174.80000108.6L62 I83 Q84 F138L62-V132 HydrophobicContact CD2-CB 4.34Å; I83-V132 HydrophobicContact CB-CG2 4.45Å; I83-V132 HydrophobicContact CG2-CG1 4.09Å; I83-V132 HydrophobicContact CG2-CG2 4.19Å; Q84-V132 HydrophobicContact CG-CG2 3.42Å; Q84-V132 VanDerWaalsContact CG-CG2 3.42Å; V132-F138 HydrophobicContact CG1-CE2 3.69Å; V132-F138 HydrophobicContact CG1-CZ 3.93Å
133P82.9Confident70.2Confident54 Ų5477.8 Ų77.835%0.35143%0.426SS..  trans-60.7139171.3-17.631000110.8R131 E135 E136R131-P133 WeakPolarHBondContact O-CD 3.26Å; P133-E135 VanDerWaalsContact C-N 3.27Å; P133-E135 PolarHBondContact O-N 3.28Å; P133-E136 HydrophobicContact CB-CB 4.05Å; P133-E136 WeakPolarHBondContact CD-OE2 3.41Å; P133-E136 HydrophobicContact CG-CB 4.19Å; P133-E136 PolarHBondContact O-N 3.49Å; P133-E136 VanDerWaalsContact O-N 3.1Å
134L82.9Confident73.1Confident93 Ų9370.4 Ų70.449%0.48739%0.393SS..THydrogen-bonded Turntrans-58.3-37.8-174.8-70.9174.8000113.6L62 Q63L62-L134 HydrophobicContact CB-CD2 4.39Å; L62-L134 HydrophobicContact CD2-CD2 3.81Å; L62-L134 HydrophobicContact CG-CD2 3.84Å; L62-L134 PolarHBondContact N-O 2.93Å; Q63-L134 HydrophobicContact CB-CB 4.27Å; Q63-L134 WeakPolarHBondContact CB-O 3.43Å; Q63-L134 PolarHBondContact N-O 2.64Å
135E84.1Confident75.9Confident107 Ų10771.7 Ų71.750%0.539%0.388SS..THydrogen-bonded Turntrans-90.3-1.4-177.9-62.2177.7-170.700113.1K120 P133 S137K120-E135 VanDerWaalsContact NZ-CD 3.31Å; K120-E135 IonicContact NZ-OE1 2.72Å; K120-E135 PolarHBondContact NZ-OE1 2.84Å; K120-E135 VanDerWaalsContact NZ-OE1 3.09Å; K120-E135 IonicContact NZ-OE2 3.22Å; K120-E135 PolarHBondContact NZ-OE2 3.41Å; P133-E135 VanDerWaalsContact C-N 3.27Å; P133-E135 PolarHBondContact O-N 3.28Å; E135-S137 PolarHBondContact O-N 3.39Å
136E86.8Confident78.6Confident46 Ų4669 Ų6922%0.21537%0.367CS..  trans-70.1123-179.4-172.4168.9-134.500110.4N61 R94 P133 F138N61-E136 WeakPolarHBondContact CA-O 3.4Å; N61-E136 WeakPolarHBondContact CB-O 3.49Å; R94-E136 VanDerWaalsContact CD-OE1 3.3Å; R94-E136 WeakPolarHBondContact CD-OE1 3.48Å; R94-E136 IonicContact CZ-OE1 3.09Å; R94-E136 IonicContact NE-OE1 3.31Å; R94-E136 IonicContact NH1-OE1 3.11Å; R94-E136 PolarHBondContact NH1-OE1 3.49Å; P133-E136 HydrophobicContact CB-CB 4.05Å; P133-E136 WeakPolarHBondContact CD-OE2 3.41Å; P133-E136 HydrophobicContact CG-CB 4.19Å; P133-E136 PolarHBondContact O-N 3.49Å; P133-E136 VanDerWaalsContact O-N 3.1Å; E136-F138 HydrophobicContact CB-CE2 3.97Å; E136-F138 HydrophobicContact CB-CZ 4.4Å; E136-F138 HydrophobicContact CG-CE2 3.77Å; E136-F138 HydrophobicContact CG-CZ 3.84Å; E136-F138 WeakPolarHBondContact O-CD2 3.18Å; E136-F138 WeakPolarHBondContact O-CE2 3.21Å; E136-F138 WeakPolarHBondContact OE2-CZ 3.37Å
137S89.6Confident81.2Confident33 Ų3363.6 Ų63.623%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-88.6134.9-179.7-68.90000112E95 E135E95-S137 PolarHBondContact N-O 2.89Å; E95-S137 WeakPolarHBondContact OE2-CB 3.49Å; E95-S137 PolarHBondContact OE2-OG 2.95Å; E135-S137 PolarHBondContact O-N 3.39Å
138F93Very high84Confident7 Ų757.6 Ų57.63%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-123133.6176.2-61.8-95000110.2I59 V60 I83 I92 Q93 R94 V132 E136I59-F138 CarbonylContact C-O 3.53Å; I59-F138 WeakPolarHBondContact CA-O 3.22Å; V60-F138 HydrophobicContact CG2-CB 4.11Å; V60-F138 PolarHBondContact N-O 2.79Å; V60-F138 PolarHBondContact O-N 2.82Å; I83-F138 HydrophobicContact CG2-CD1 4.47Å; I83-F138 HydrophobicContact CG2-CD2 3.88Å; I83-F138 HydrophobicContact CG2-CE1 4.27Å; I83-F138 HydrophobicContact CG2-CE2 3.67Å; I83-F138 HydrophobicContact CG2-CG 4.3Å; I83-F138 HydrophobicContact CG2-CZ 3.87Å; I92-F138 HydrophobicContact CB-CB 4.12Å; I92-F138 HydrophobicContact CD1-CB 3.86Å; I92-F138 HydrophobicContact CD1-CD1 3.91Å; I92-F138 HydrophobicContact CD1-CG 3.89Å; I92-F138 HydrophobicContact CG1-CB 4.21Å; I92-F138 HydrophobicContact CG1-CD1 4.14Å; I92-F138 HydrophobicContact CG1-CG 4.43Å; Q93-F138 CarbonylContact O-C 3.54Å; Q93-F138 WeakPolarHBondContact O-CA 3.32Å; R94-F138 HydrophobicContact CG-CD1 4.14Å; R94-F138 HydrophobicContact CG-CE1 3.74Å; R94-F138 HydrophobicContact CG-CZ 4.46Å; V132-F138 HydrophobicContact CG1-CE2 3.69Å; V132-F138 HydrophobicContact CG1-CZ 3.93Å; E136-F138 HydrophobicContact CB-CE2 3.97Å; E136-F138 HydrophobicContact CB-CZ 4.4Å; E136-F138 HydrophobicContact CG-CE2 3.77Å; E136-F138 HydrophobicContact CG-CZ 3.84Å; E136-F138 WeakPolarHBondContact O-CD2 3.18Å; E136-F138 WeakPolarHBondContact O-CE2 3.21Å; E136-F138 WeakPolarHBondContact OE2-CZ 3.37Å
139V93.9Very high86.7Confident0 Ų056.6 Ų56.60%029%0.29CS..EExtended strand (participates in β ladder)trans-85.4129.1174.31760000109.1V58 I59 I92 Q93 E95 F98 I141 V144 M187V58-V139 WeakPolarHBondContact O-CA 3.43Å; I59-V139 HydrophobicContact CG1-CG2 4.39Å; I92-V139 CarbonylContact C-O 3.56Å; I92-V139 WeakPolarHBondContact CA-O 3.36Å; I92-V139 WeakPolarHBondContact CB-O 3.5Å; Q93-V139 PolarHBondContact N-O 3.23Å; Q93-V139 PolarHBondContact O-N 3.4Å; E95-V139 HydrophobicContact CB-CG2 3.95Å; E95-V139 HydrophobicContact CG-CG2 4.07Å; F98-V139 HydrophobicContact CB-CB 4.43Å; F98-V139 HydrophobicContact CB-CG2 4.25Å; F98-V139 HydrophobicContact CD1-CG1 4.25Å; F98-V139 HydrophobicContact CD1-CG2 4.33Å; F98-V139 HydrophobicContact CD2-CG1 4.38Å; F98-V139 HydrophobicContact CE1-CG1 4.46Å; F98-V139 HydrophobicContact CG-CB 4.37Å; F98-V139 HydrophobicContact CG-CG1 4.22Å; F98-V139 HydrophobicContact CG-CG2 4.36Å; V139-I141 HydrophobicContact CG1-CD1 4.4Å; V139-I141 PolarHBondContact O-N 3.4Å; V139-V144 HydrophobicContact CG1-CB 4.3Å; V139-V144 HydrophobicContact CG1-CG2 3.23Å; V139-M187 HydrophobicContact CG2-CG 4.36Å; V139-M187 HydrophobicContact CG2-SD 3.71Å
140V97Very high89.2Confident0 Ų056.5 Ų56.50%028%0.282CS..EExtended strand (participates in β ladder)trans-84.9104.7175.9-175.40000109.4M49 V58 V60 I92 E142 L143 V144M49-V140 HydrophobicContact CE-CG1 3.67Å; M49-V140 HydrophobicContact SD-CG1 3.38Å; M49-V140 WeakPolarHBondContact SD-CG1 3.34Å; V58-V140 PolarHBondContact O-N 3.29Å; V60-V140 HydrophobicContact CG1-CG2 4.13Å; V60-V140 HydrophobicContact CG2-CG2 4.11Å; I92-V140 HydrophobicContact CG2-CG2 4.11Å; V140-E142 PolarHBondContact O-N 3.33Å; V140-L143 HydrophobicContact CB-CB 4.27Å; V140-L143 HydrophobicContact CB-CD1 4.13Å; V140-L143 HydrophobicContact CB-CG 4.27Å; V140-L143 HydrophobicContact CG1-CB 4.13Å; V140-L143 HydrophobicContact CG1-CD1 3.79Å; V140-L143 HydrophobicContact CG1-CG 3.7Å; V140-L143 PolarHBondContact O-N 2.91Å; V140-V144 PolarHBondContact O-N 3.24Å
141I96.3Very high91.2Very high27 Ų2749.7 Ų49.714%0.13825%0.245CC..Hα-helixtrans-61.9-43.4-165.9-59.6-56.8000112.7K91 Q93 F98 V139 V144 K145K91-I141 PolarHBondContact O-N 2.98Å; K91-I141 VanDerWaalsContact O-N 3.08Å; Q93-I141 HydrophobicContact CB-CD1 3.82Å; Q93-I141 HydrophobicContact CB-CG1 4.42Å; F98-I141 HydrophobicContact CD2-CD1 3.83Å; F98-I141 HydrophobicContact CE2-CD1 4Å; V139-I141 HydrophobicContact CG1-CD1 4.4Å; V139-I141 PolarHBondContact O-N 3.4Å; I141-V144 PolarHBondContact O-N 3.03Å; I141-K145 HydrophobicContact CG2-CD 4.39Å; I141-K145 WeakPolarHBondContact O-CG 3.47Å; I141-K145 PolarHBondContact O-N 3.24Å; I141-K145 VanDerWaalsContact O-N 3.14Å
142E96.7Very high92.5Very high102 Ų10240.1 Ų40.148%0.47721%0.209SC..Hα-helixtrans-59.4-47.5177.7-179-174.4144.900111.2M49 R53 V140 V144 K145 E146M49-E142 HydrophobicContact CE-CB 4.04Å; M49-E142 HydrophobicContact CE-CG 4.33Å; M49-E142 WeakPolarHBondContact CE-OE2 3.47Å; R53-E142 IonicContact NH2-OE1 2.73Å; R53-E142 PolarHBondContact NH2-OE1 2.98Å; V140-E142 PolarHBondContact O-N 3.33Å; E142-V144 PolarHBondContact O-N 2.89Å; E142-K145 PolarHBondContact O-N 2.85Å; E142-E146 WeakPolarHBondContact O-CG 3.41Å; E142-E146 PolarHBondContact O-N 2.81Å
143L96.9Very high93.4Very high4 Ų446.8 Ų46.82%0.02124%0.237CC..Hα-helixtrans-70.2-34.5-177.4-59.8-178000112.3M49 C52 R53 V58 V140 K145 E146 K147M49-L143 HydrophobicContact CE-CD1 4.44Å; M49-L143 HydrophobicContact CE-CD2 4.19Å; M49-L143 HydrophobicContact CE-CG 3.99Å; C52-L143 HydrophobicContact CB-CD1 3.27Å; R53-L143 HydrophobicContact CB-CD2 4.15Å; R53-L143 HydrophobicContact CG-CD2 4.39Å; V58-L143 HydrophobicContact CG1-CB 3.97Å; V140-L143 HydrophobicContact CB-CB 4.27Å; V140-L143 HydrophobicContact CB-CD1 4.13Å; V140-L143 HydrophobicContact CB-CG 4.27Å; V140-L143 HydrophobicContact CG1-CB 4.13Å; V140-L143 HydrophobicContact CG1-CD1 3.79Å; V140-L143 HydrophobicContact CG1-CG 3.7Å; V140-L143 PolarHBondContact O-N 2.91Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-E146 WeakPolarHBondContact CD2-OE2 3.4Å; L143-E146 WeakPolarHBondContact O-CB 3.43Å; L143-E146 PolarHBondContact O-N 3.49Å; L143-K147 VanDerWaalsContact O-CG 3.32Å; L143-K147 WeakPolarHBondContact O-CG 3.45Å; L143-K147 PolarHBondContact O-N 3.32Å
144V96.3Very high94Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-62.5-42.1172.7172.40000111.4V58 F98 V139 V140 I141 E142 K147 A148 M187 Q191V58-V144 HydrophobicContact CB-CG2 3.57Å; V58-V144 HydrophobicContact CG1-CG2 4.05Å; V58-V144 HydrophobicContact CG2-CG2 3.72Å; F98-V144 HydrophobicContact CE1-CG1 4.32Å; F98-V144 HydrophobicContact CZ-CG1 3.87Å; V139-V144 HydrophobicContact CG1-CB 4.3Å; V139-V144 HydrophobicContact CG1-CG2 3.23Å; V140-V144 PolarHBondContact O-N 3.24Å; I141-V144 PolarHBondContact O-N 3.03Å; E142-V144 PolarHBondContact O-N 2.89Å; V144-K147 PolarHBondContact O-N 3.43Å; V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 3.35Å; V144-M187 HydrophobicContact CG1-CB 4.37Å; V144-M187 VanDerWaalsContact CG1-O 3.31Å; V144-M187 WeakPolarHBondContact CG1-O 3.17Å; V144-M187 HydrophobicContact CG2-CB 3.99Å; V144-Q191 HydrophobicContact CG1-CB 3.48Å; V144-Q191 VanDerWaalsContact CG1-CB 3.48Å; V144-Q191 HydrophobicContact CG1-CG 3.98Å
145K97.3Very high94.6Very high114 Ų11441.9 Ų41.950%0.49621%0.209SC..Hα-helixtrans-64-41176.2-70.5175.4178.9-177.50111.9I141 E142 L143 A148 A149 Q191I141-K145 HydrophobicContact CG2-CD 4.39Å; I141-K145 WeakPolarHBondContact O-CG 3.47Å; I141-K145 PolarHBondContact O-N 3.24Å; I141-K145 VanDerWaalsContact O-N 3.14Å; E142-K145 PolarHBondContact O-N 2.85Å; L143-K145 VanDerWaalsContact C-N 3.33Å; K145-A148 PolarHBondContact O-N 3.3Å; K145-A149 PolarHBondContact O-N 2.98Å; K145-Q191 HydrophobicContact CG-CG 4.13Å
146E97.1Very high95Very high62 Ų6241.7 Ų41.729%0.2920%0.204SC..Hα-helixtrans-56.6-50.8172-71.3174.9-168.400110.6R53 E142 L143 A148 A149 E150R53-E146 IonicContact CZ-OE1 3.95Å; R53-E146 IonicContact CZ-OE2 3.29Å; R53-E146 IonicContact NE-OE1 3.78Å; R53-E146 IonicContact NE-OE2 2.85Å; R53-E146 PolarHBondContact NE-OE2 3.21Å; R53-E146 IonicContact NH2-OE1 2.78Å; R53-E146 PolarHBondContact NH2-OE1 3.03Å; R53-E146 IonicContact NH2-OE2 2.91Å; E142-E146 WeakPolarHBondContact O-CG 3.41Å; E142-E146 PolarHBondContact O-N 2.81Å; L143-E146 WeakPolarHBondContact CD2-OE2 3.4Å; L143-E146 WeakPolarHBondContact O-CB 3.43Å; L143-E146 PolarHBondContact O-N 3.49Å; E146-A148 PolarHBondContact O-N 2.76Å; E146-A149 PolarHBondContact O-N 3.33Å; E146-E150 WeakPolarHBondContact O-CG 3.4Å; E146-E150 PolarHBondContact O-N 3.06Å
147K96.6Very high95.2Very high29 Ų2944 Ų4413%0.12623%0.225CC..Hα-helixtrans-65.3-38-179.4-67.7-69.2158.4-156.20113.5V58 L143 V144 E150 L151 I178 T184 A188V58-K147 HydrophobicContact CG1-CB 4.45Å; V58-K147 HydrophobicContact CG1-CG 3.73Å; L143-K147 VanDerWaalsContact O-CG 3.32Å; L143-K147 WeakPolarHBondContact O-CG 3.45Å; L143-K147 PolarHBondContact O-N 3.32Å; V144-K147 PolarHBondContact O-N 3.43Å; K147-E150 IonicContact NZ-OE1 3.91Å; K147-E150 IonicContact NZ-OE2 3Å; K147-E150 PolarHBondContact NZ-OE2 3.32Å; K147-E150 PolarHBondContact O-N 3.03Å; K147-L151 VanDerWaalsContact O-CB 3.29Å; K147-L151 WeakPolarHBondContact O-CB 3.21Å; K147-L151 PolarHBondContact O-N 3.49Å; K147-I178 VanDerWaalsContact CD-O 3.25Å; K147-I178 WeakPolarHBondContact CD-O 3.44Å; K147-I178 VanDerWaalsContact CE-O 3.25Å; K147-I178 WeakPolarHBondContact CE-O 3.39Å; K147-I178 PolarHBondContact NZ-O 2.85Å; K147-T184 HydrophobicContact CD-CG2 4.33Å; K147-T184 HydrophobicContact CG-CG2 4.14Å; K147-A188 HydrophobicContact CB-CB 4.1Å
148A96.5Very high95.3Very high3 Ų343.3 Ų43.33%0.02522%0.22CC..Hα-helixtrans-60-46173.400000111.7V144 K145 E146 L151 L152 Q191 L192V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 3.35Å; K145-A148 PolarHBondContact O-N 3.3Å; E146-A148 PolarHBondContact O-N 2.76Å; A148-L151 PolarHBondContact O-N 3.21Å; A148-L152 PolarHBondContact O-N 3.18Å; A148-L152 VanDerWaalsContact O-N 3.08Å; A148-Q191 HydrophobicContact CB-CB 3.97Å; A148-Q191 HydrophobicContact CB-CG 3.77Å; A148-L192 HydrophobicContact CB-CD2 3.92Å; A148-L192 HydrophobicContact CB-CG 3.88Å
149A96.6Very high95Very high64 Ų6450.3 Ų50.353%0.52926%0.258SS..Hα-helixtrans-66.2-42177.700000112.3K145 E146 L152 K153K145-A149 PolarHBondContact O-N 2.98Å; E146-A149 PolarHBondContact O-N 3.33Å; A149-L152 PolarHBondContact O-N 3.23Å; A149-K153 WeakPolarHBondContact O-CB 3.2Å; A149-K153 PolarHBondContact O-N 3.31Å
150E96.6Very high94.7Very high72 Ų7252.6 Ų52.634%0.33627%0.268SS..Hα-helixtrans-60.6-46.7174.2-74.5176.8-179.800111.7E146 K147 L152 K153 V154 I178E146-E150 WeakPolarHBondContact O-CG 3.4Å; E146-E150 PolarHBondContact O-N 3.06Å; K147-E150 IonicContact NZ-OE1 3.91Å; K147-E150 IonicContact NZ-OE2 3Å; K147-E150 PolarHBondContact NZ-OE2 3.32Å; K147-E150 PolarHBondContact O-N 3.03Å; E150-L152 VanDerWaalsContact C-N 3.35Å; E150-L152 PolarHBondContact O-N 3.34Å; E150-K153 WeakPolarHBondContact O-CB 3.48Å; E150-K153 PolarHBondContact O-N 3.3Å; E150-V154 WeakPolarHBondContact O-CG2 3.23Å; E150-V154 PolarHBondContact O-N 3.3Å; E150-I178 HydrophobicContact CB-CD1 4.04Å
151L96.1Very high94.1Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-58.6-47178.9178.362.8000111.6K147 A148 K153 V154 Y155 I178 L185 A188 L189 L192K147-L151 VanDerWaalsContact O-CB 3.29Å; K147-L151 WeakPolarHBondContact O-CB 3.21Å; K147-L151 PolarHBondContact O-N 3.49Å; A148-L151 PolarHBondContact O-N 3.21Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 2.73Å; L151-V154 PolarHBondContact O-N 3.42Å; L151-Y155 WeakPolarHBondContact O-CB 2.97Å; L151-Y155 PolarHBondContact O-N 3.05Å; L151-I178 VanDerWaalsContact CA-CD1 3.49Å; L151-I178 HydrophobicContact CB-CD1 4.06Å; L151-I178 HydrophobicContact CD1-CD1 4.3Å; L151-L185 HydrophobicContact CD1-CD1 3.84Å; L151-L185 HydrophobicContact CD2-CD1 3.55Å; L151-L185 HydrophobicContact CG-CD1 4.36Å; L151-A188 HydrophobicContact CD2-CB 4.16Å; L151-L189 HydrophobicContact CD2-CD2 3.85Å; L151-L189 HydrophobicContact CD2-CG 4.13Å; L151-L192 HydrophobicContact CD2-CD1 3.93Å; L151-L192 HydrophobicContact CG-CD1 4.37Å
152L94.5Very high93.4Very high8 Ų858.6 Ų58.64%0.04231%0.312CS..Hα-helixtrans-64.1-38.3178.4-172.866000112.1A148 A149 E150 Y155 R156 L192 F211A148-L152 PolarHBondContact O-N 3.18Å; A148-L152 VanDerWaalsContact O-N 3.08Å; A149-L152 PolarHBondContact O-N 3.23Å; E150-L152 VanDerWaalsContact C-N 3.35Å; E150-L152 PolarHBondContact O-N 3.34Å; L152-Y155 HydrophobicContact CD1-CD1 4.4Å; L152-R156 WeakPolarHBondContact O-CB 3.21Å; L152-R156 VanDerWaalsContact O-CG 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.3Å; L152-R156 PolarHBondContact O-N 2.9Å; L152-L192 HydrophobicContact CB-CD2 4.33Å; L152-L192 HydrophobicContact CD2-CD2 4.46Å; L152-F211 HydrophobicContact CD1-CD1 3.93Å; L152-F211 HydrophobicContact CD1-CE1 4.39Å
153K94.6Very high92.8Very high158 Ų15854.5 Ų54.569%0.68730%0.295SS*.Hα-helixtrans-63.3-48.1175.2-177.4-177.1177.5-175.80111.1A149 E150 L151 R156 S157A149-K153 WeakPolarHBondContact O-CB 3.2Å; A149-K153 PolarHBondContact O-N 3.31Å; E150-K153 WeakPolarHBondContact O-CB 3.48Å; E150-K153 PolarHBondContact O-N 3.3Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 2.73Å; K153-R156 PolarHBondContact O-N 3.41Å; K153-S157 PolarHBondContact O-N 2.89Å; K153-S157 PolarHBondContact O-OG 3Å; K153-S157 VanDerWaalsContact O-OG 3.11Å
154V95.1Very high92.3Very high36 Ų3655.1 Ų55.122%0.21830%0.299CS..Hα-helixtrans-62.2-45.8-179.8172.30000110.8E150 L151 R156 S157 S158 L174 I178E150-V154 WeakPolarHBondContact O-CG2 3.23Å; E150-V154 PolarHBondContact O-N 3.3Å; L151-V154 PolarHBondContact O-N 3.42Å; V154-R156 PolarHBondContact O-N 2.82Å; V154-S157 WeakPolarHBondContact CA-OG 3.01Å; V154-S157 PolarHBondContact O-N 2.75Å; V154-S157 PolarHBondContact O-OG 2.75Å; V154-S158 WeakPolarHBondContact O-CB 3.46Å; V154-S158 PolarHBondContact O-N 2.74Å; V154-S158 VanDerWaalsContact O-N 3.14Å; V154-L174 HydrophobicContact CG1-CD1 3.66Å; V154-L174 HydrophobicContact CG1-CD2 4.22Å; V154-L174 HydrophobicContact CG1-CG 3.64Å; V154-I178 HydrophobicContact CB-CD1 4.41Å; V154-I178 HydrophobicContact CG2-CD1 4.04Å; V154-I178 HydrophobicContact CG2-CG2 4.18Å
155Y94.3Very high92.1Very high8 Ų855.2 Ų55.23%0.03130%0.3CS..Hα-helixtrans-54-51.6172.9165.8-102.2000112.1L151 L152 S157 S158 F160 C163 V166 F211L151-Y155 WeakPolarHBondContact O-CB 2.97Å; L151-Y155 PolarHBondContact O-N 3.05Å; L152-Y155 HydrophobicContact CD1-CD1 4.4Å; Y155-S157 PolarHBondContact O-N 3.29Å; Y155-S158 PolarHBondContact O-N 3.12Å; Y155-S158 VanDerWaalsContact O-N 3.13Å; Y155-S158 PolarHBondContact O-OG 3.4Å; Y155-F160 HydrophobicContact CD2-CB 4.05Å; Y155-F160 HydrophobicContact CE2-CB 3.95Å; Y155-F160 VanDerWaalsContact CE2-O 3.24Å; Y155-F160 WeakPolarHBondContact CE2-O 3.35Å; Y155-F160 PolarHBondContact OH-O 2.64Å; Y155-C163 PolarHBondContact OH-O 3.46Å; Y155-V166 HydrophobicContact CD2-CG2 4.36Å; Y155-V166 HydrophobicContact CE2-CG2 3.81Å; Y155-F211 HydrophobicContact CD1-CB 4.15Å; Y155-F211 AromaticContact CD1-CD1 3.6Å; Y155-F211 HydrophobicContact CD1-CD1 3.6Å; Y155-F211 HydrophobicContact CD1-CD2 4.42Å; Y155-F211 HydrophobicContact CD1-CE1 4.07Å; Y155-F211 AromaticContact CD1-CG 3.81Å; Y155-F211 HydrophobicContact CD1-CG 3.81Å; Y155-F211 HydrophobicContact CD2-CD1 4.41Å; Y155-F211 HydrophobicContact CD2-CD2 4.01Å; Y155-F211 HydrophobicContact CD2-CE1 4.42Å; Y155-F211 HydrophobicContact CD2-CE2 4.02Å; Y155-F211 HydrophobicContact CD2-CG 4.22Å; Y155-F211 HydrophobicContact CD2-CZ 4.24Å; Y155-F211 HydrophobicContact CE1-CB 3.43Å; Y155-F211 VanDerWaalsContact CE1-CB 3.43Å; Y155-F211 AromaticContact CE1-CD1 3.81Å; Y155-F211 HydrophobicContact CE1-CD1 3.81Å; Y155-F211 HydrophobicContact CE1-CD2 4.18Å; Y155-F211 AromaticContact CE1-CG 3.54Å; Y155-F211 HydrophobicContact CE1-CG 3.54Å; Y155-F211 HydrophobicContact CE2-CB 4.35Å; Y155-F211 AromaticContact CE2-CD2 3.73Å; Y155-F211 HydrophobicContact CE2-CD2 3.73Å; Y155-F211 HydrophobicContact CE2-CE2 4.16Å; Y155-F211 AromaticContact CE2-CG 3.98Å; Y155-F211 HydrophobicContact CE2-CG 3.98Å; Y155-F211 AromaticContact CG-CD1 3.93Å; Y155-F211 HydrophobicContact CG-CD1 3.93Å; Y155-F211 HydrophobicContact CG-CD2 4.35Å; Y155-F211 AromaticContact CG-CE1 3.96Å; Y155-F211 HydrophobicContact CG-CE1 3.96Å; Y155-F211 HydrophobicContact CG-CE2 4.38Å; Y155-F211 HydrophobicContact CG-CG 4.14Å; Y155-F211 HydrophobicContact CG-CZ 4.19Å; Y155-F211 AromaticContact CZ-CD2 3.83Å; Y155-F211 AromaticContact CZ-CG 3.64Å
156R92.4Very high91.9Very high102 Ų10249.9 Ų49.939%0.38528%0.277SS..Hα-helixtrans-63.7-25.6179.2-73.6172.9176.5163.4-0.7114.2L152 K153 V154 S161L152-R156 WeakPolarHBondContact O-CB 3.21Å; L152-R156 VanDerWaalsContact O-CG 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.3Å; L152-R156 PolarHBondContact O-N 2.9Å; K153-R156 PolarHBondContact O-N 3.41Å; V154-R156 PolarHBondContact O-N 2.82Å; R156-S161 VanDerWaalsContact O-CB 3.3Å; R156-S161 WeakPolarHBondContact O-CB 3.34Å
157S92.6Very high91.6Very high95 Ų9547.2 Ų47.266%0.66427%0.265SS*.THydrogen-bonded Turntrans-92.3-1.6177.959.40000114.2K153 V154 Y155K153-S157 PolarHBondContact O-N 2.89Å; K153-S157 PolarHBondContact O-OG 3Å; K153-S157 VanDerWaalsContact O-OG 3.11Å; V154-S157 WeakPolarHBondContact CA-OG 3.01Å; V154-S157 PolarHBondContact O-N 2.75Å; V154-S157 PolarHBondContact O-OG 2.75Å; Y155-S157 PolarHBondContact O-N 3.29Å
158S91.7Very high91.3Very high19 Ų1946.7 Ų46.713%0.13326%0.263CS..SBendtrans-98171.2-176.8730000112.5V154 Y155 F160 S161V154-S158 WeakPolarHBondContact O-CB 3.46Å; V154-S158 PolarHBondContact O-N 2.74Å; V154-S158 VanDerWaalsContact O-N 3.14Å; Y155-S158 PolarHBondContact O-N 3.12Å; Y155-S158 VanDerWaalsContact O-N 3.13Å; Y155-S158 PolarHBondContact O-OG 3.4Å; S158-F160 PolarHBondContact O-N 2.72Å; S158-F160 VanDerWaalsContact O-N 3.15Å; S158-F160 WeakPolarHBondContact OG-CB 3.48Å; S158-F160 PolarHBondContact OG-N 3.05Å; S158-S161 VanDerWaalsContact O-CB 3.24Å; S158-S161 WeakPolarHBondContact O-CB 3.38Å; S158-S161 PolarHBondContact O-N 2.82Å; S158-S161 PolarHBondContact O-OG 2.94Å
159D87Confident91Very high153 Ų15352.2 Ų52.282%0.81829%0.288SS*.G310 helixtrans-61.8-18.6172.3-56.5-33.7000112.4S161 S162D159-S161 VanDerWaalsContact C-N 3.25Å; D159-S161 PolarHBondContact O-N 3.16Å; D159-S162 PolarHBondContact O-OG 2.9Å
160F86.3Confident90.8Very high49 Ų4950.9 Ų50.922%0.21527%0.271CS..G310 helixtrans-76.8-5.2173.7-56.2-66.1000114.1Y155 S158 S162 C163 V166 E170 L174Y155-F160 HydrophobicContact CD2-CB 4.05Å; Y155-F160 HydrophobicContact CE2-CB 3.95Å; Y155-F160 VanDerWaalsContact CE2-O 3.24Å; Y155-F160 WeakPolarHBondContact CE2-O 3.35Å; Y155-F160 PolarHBondContact OH-O 2.64Å; S158-F160 PolarHBondContact O-N 2.72Å; S158-F160 VanDerWaalsContact O-N 3.15Å; S158-F160 WeakPolarHBondContact OG-CB 3.48Å; S158-F160 PolarHBondContact OG-N 3.05Å; F160-S162 PolarHBondContact O-N 3.32Å; F160-S162 VanDerWaalsContact O-N 3.17Å; F160-C163 WeakPolarHBondContact O-CA 3.25Å; F160-C163 WeakPolarHBondContact O-CB 3.25Å; F160-C163 PolarHBondContact O-N 3.05Å; F160-C163 VanDerWaalsContact O-O 3.12Å; F160-V166 HydrophobicContact CB-CG2 3.98Å; F160-V166 HydrophobicContact CD1-CG1 4.17Å; F160-V166 HydrophobicContact CD1-CG2 4.33Å; F160-V166 HydrophobicContact CE1-CG1 4.41Å; F160-V166 HydrophobicContact CG-CG1 4.32Å; F160-V166 HydrophobicContact CG-CG2 4.31Å; F160-E170 HydrophobicContact CE1-CB 4.26Å; F160-E170 HydrophobicContact CE1-CG 4.21Å; F160-E170 HydrophobicContact CE2-CB 4.4Å; F160-E170 HydrophobicContact CZ-CB 3.85Å; F160-E170 HydrophobicContact CZ-CG 3.97Å; F160-L174 HydrophobicContact CD2-CD1 4.33Å; F160-L174 HydrophobicContact CD2-CD2 4Å; F160-L174 HydrophobicContact CE2-CD1 4.46Å
161S85.2Confident90.7Very high48 Ų4847.4 Ų47.434%0.33626%0.255SS..G310 helixtrans-61.4-24.5-178.559.40000113.7R156 S158 D159R156-S161 VanDerWaalsContact O-CB 3.3Å; R156-S161 WeakPolarHBondContact O-CB 3.34Å; S158-S161 VanDerWaalsContact O-CB 3.24Å; S158-S161 WeakPolarHBondContact O-CB 3.38Å; S158-S161 PolarHBondContact O-N 2.82Å; S158-S161 PolarHBondContact O-OG 2.94Å; D159-S161 VanDerWaalsContact C-N 3.25Å; D159-S161 PolarHBondContact O-N 3.16Å
162S82.2Confident90.4Very high104 Ų10448.3 Ų48.373%0.72726%0.261SS*.G310 helixtrans-84.4-14.617150.20000114D159 F160D159-S162 PolarHBondContact O-OG 2.9Å; F160-S162 PolarHBondContact O-N 3.32Å; F160-S162 VanDerWaalsContact O-N 3.17Å
163C83.4Confident90.4Very high17 Ų1752.4 Ų52.412%0.11529%0.286CS..  trans-91.4115.4-178.8-56.20000109.6Y155 F160 V165 V166 Q233Y155-C163 PolarHBondContact OH-O 3.46Å; F160-C163 WeakPolarHBondContact O-CA 3.25Å; F160-C163 WeakPolarHBondContact O-CB 3.25Å; F160-C163 PolarHBondContact O-N 3.05Å; F160-C163 VanDerWaalsContact O-O 3.12Å; C163-V165 PolarHBondContact O-N 3.38Å; C163-V166 HydrophobicContact CB-CG2 4.29Å; C163-Q233 PolarHBondContact SG-NE2 2.85Å
164S85.3Confident90.4Very high16 Ų1646.5 Ų46.511%0.11226%0.262CS..SBendtrans-67.8-27.9175.858.30000112.8K210 F211S164-K210 CarbonylContact O-C 3.55Å; S164-K210 WeakPolarHBondContact O-CA 3.43Å; S164-K210 WeakPolarHBondContact O-CG 3.1Å; S164-F211 PolarHBondContact O-N 3.24Å
165V92.8Very high90.3Very high3 Ų345 Ų452%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-124.1134.8-177.9-1760000109.4C163 I208 V209 K210 F222 D226 Y230C163-V165 PolarHBondContact O-N 3.38Å; V165-I208 HydrophobicContact CG1-CB 3.9Å; V165-I208 HydrophobicContact CG1-CD1 4Å; V165-I208 HydrophobicContact CG1-CG1 4.35Å; V165-V209 CarbonylContact C-O 3.44Å; V165-V209 WeakPolarHBondContact CA-O 3.38Å; V165-K210 HydrophobicContact CG2-CB 4.16Å; V165-K210 HydrophobicContact CG2-CG 4.21Å; V165-F222 HydrophobicContact CG1-CE1 4.1Å; V165-F222 HydrophobicContact CG1-CZ 4.48Å; V165-F222 HydrophobicContact CG2-CE1 3.84Å; V165-D226 HydrophobicContact CG2-CB 3.87Å; V165-Y230 HydrophobicContact CB-CD2 4.23Å; V165-Y230 HydrophobicContact CG1-CD2 3.73Å; V165-Y230 HydrophobicContact CG1-CE2 4.41Å; V165-Y230 HydrophobicContact CG1-CG 4.01Å
166V93.1Very high90.3Very high1 Ų148.1 Ų48.11%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-134.3145.7-179.4-174.50000109.3Y155 F160 C163 E170 L171 I208 V209Y155-V166 HydrophobicContact CD2-CG2 4.36Å; Y155-V166 HydrophobicContact CE2-CG2 3.81Å; F160-V166 HydrophobicContact CB-CG2 3.98Å; F160-V166 HydrophobicContact CD1-CG1 4.17Å; F160-V166 HydrophobicContact CD1-CG2 4.33Å; F160-V166 HydrophobicContact CE1-CG1 4.41Å; F160-V166 HydrophobicContact CG-CG1 4.32Å; F160-V166 HydrophobicContact CG-CG2 4.31Å; C163-V166 HydrophobicContact CB-CG2 4.29Å; V166-E170 HydrophobicContact CG1-CB 3.63Å; V166-L171 HydrophobicContact CB-CD2 4.45Å; V166-L171 HydrophobicContact CB-CG 4.46Å; V166-L171 HydrophobicContact CG1-CD2 4.08Å; V166-L171 HydrophobicContact CG1-CG 4.05Å; V166-I208 CarbonylContact O-C 3.43Å; V166-I208 WeakPolarHBondContact O-CA 3.43Å; V166-V209 PolarHBondContact N-O 3.47Å; V166-V209 PolarHBondContact O-N 3.24Å
167S91.6Very high90.3Very high6 Ų650.8 Ų50.84%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-70.6152.1174.4700000111.6Q169 E170 L171 E206 Y230S167-Q169 PolarHBondContact O-N 3.39Å; S167-E170 WeakPolarHBondContact CB-OE2 3.36Å; S167-E170 PolarHBondContact N-OE2 2.83Å; S167-E170 PolarHBondContact O-N 3.42Å; S167-E170 VanDerWaalsContact OG-CB 3.31Å; S167-E170 WeakPolarHBondContact OG-CB 3.46Å; S167-E170 WeakPolarHBondContact OG-CG 3.32Å; S167-E170 PolarHBondContact OG-N 3.43Å; S167-E170 VanDerWaalsContact OG-N 3.11Å; S167-E170 PolarHBondContact OG-OE2 2.74Å; S167-L171 PolarHBondContact O-N 3.26Å; S167-L171 VanDerWaalsContact O-N 3.11Å; S167-E206 WeakPolarHBondContact CB-OE1 3.35Å; S167-Y230 WeakPolarHBondContact CB-OH 3.34Å
168F90.4Very high90.2Very high19 Ų1947.8 Ų47.88%0.08327%0.274CS..Hα-helixtrans-60.4-36174-176.9-99.1000111.9M113 L171 C172 E182 L185 L189 K207M113-F168 HydrophobicContact CE-CZ 4.24Å; F168-L171 WeakPolarHBondContact O-CB 3.37Å; F168-L171 PolarHBondContact O-N 3.3Å; F168-C172 WeakPolarHBondContact CE1-SG 3.43Å; F168-C172 PolarHBondContact O-N 3.19Å; F168-C172 PolarHBondContact O-SG 2.93Å; F168-C172 VanDerWaalsContact O-SG 3.41Å; F168-E182 HydrophobicContact CZ-CB 4.48Å; F168-L185 HydrophobicContact CD2-CD2 4.47Å; F168-L185 HydrophobicContact CE2-CD2 3.86Å; F168-L185 HydrophobicContact CE2-CG 4.18Å; F168-L185 HydrophobicContact CZ-CD2 4.01Å; F168-L189 HydrophobicContact CD2-CD1 4.03Å; F168-L189 HydrophobicContact CE2-CD1 3.87Å; F168-K207 HydrophobicContact CB-CB 3.65Å; F168-K207 WeakPolarHBondContact CB-O 3.28Å; F168-K207 HydrophobicContact CG-CB 4.29Å; F168-K207 HydrophobicContact CG-CD 4.42Å; F168-K207 PolarHBondContact N-O 3.3Å
169Q89.6Confident90.2Very high118 Ų11847.3 Ų47.355%0.55127%0.271SS*.Hα-helixtrans-64.8-41.3178.6-174.659.243.800112S167 L171 C172 T173S167-Q169 PolarHBondContact O-N 3.39Å; Q169-L171 VanDerWaalsContact C-N 3.3Å; Q169-L171 PolarHBondContact O-N 3.44Å; Q169-C172 WeakPolarHBondContact O-CB 3.3Å; Q169-C172 PolarHBondContact O-N 3.4Å; Q169-T173 PolarHBondContact O-N 3.47Å; Q169-T173 PolarHBondContact O-OG1 3.04Å
170E92.6Very high90.3Very high36 Ų3642.6 Ų42.617%0.16825%0.253CS..Hα-helixtrans-63.9-38174.2-75.1162.6150.600111.4F160 V166 S167 T173 L174 K237F160-E170 HydrophobicContact CE1-CB 4.26Å; F160-E170 HydrophobicContact CE1-CG 4.21Å; F160-E170 HydrophobicContact CE2-CB 4.4Å; F160-E170 HydrophobicContact CZ-CB 3.85Å; F160-E170 HydrophobicContact CZ-CG 3.97Å; V166-E170 HydrophobicContact CG1-CB 3.63Å; S167-E170 WeakPolarHBondContact CB-OE2 3.36Å; S167-E170 PolarHBondContact N-OE2 2.83Å; S167-E170 PolarHBondContact O-N 3.42Å; S167-E170 VanDerWaalsContact OG-CB 3.31Å; S167-E170 WeakPolarHBondContact OG-CB 3.46Å; S167-E170 WeakPolarHBondContact OG-CG 3.32Å; S167-E170 PolarHBondContact OG-N 3.43Å; S167-E170 VanDerWaalsContact OG-N 3.11Å; S167-E170 PolarHBondContact OG-OE2 2.74Å; E170-T173 PolarHBondContact O-N 3.45Å; E170-L174 WeakPolarHBondContact O-CB 3.42Å; E170-L174 PolarHBondContact O-N 2.88Å; E170-K237 IonicContact OE1-NZ 2.7Å; E170-K237 PolarHBondContact OE1-NZ 2.73Å
171L93.3Very high90.3Very high0 Ų044 Ų440%026%0.263CS..Hα-helixtrans-65.9-37.6173-67.8179.4000112.7V166 S167 F168 Q169 T173 L174 S175 L185 L189 V209 F211V166-L171 HydrophobicContact CB-CD2 4.45Å; V166-L171 HydrophobicContact CB-CG 4.46Å; V166-L171 HydrophobicContact CG1-CD2 4.08Å; V166-L171 HydrophobicContact CG1-CG 4.05Å; S167-L171 PolarHBondContact O-N 3.26Å; S167-L171 VanDerWaalsContact O-N 3.11Å; F168-L171 WeakPolarHBondContact O-CB 3.37Å; F168-L171 PolarHBondContact O-N 3.3Å; Q169-L171 VanDerWaalsContact C-N 3.3Å; Q169-L171 PolarHBondContact O-N 3.44Å; L171-T173 VanDerWaalsContact C-N 3.32Å; L171-T173 PolarHBondContact O-N 3.06Å; L171-L174 HydrophobicContact CD2-CD2 4.14Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-S175 WeakPolarHBondContact O-CB 3.32Å; L171-S175 PolarHBondContact O-N 2.98Å; L171-S175 PolarHBondContact O-OG 3.06Å; L171-L185 HydrophobicContact CB-CD2 4.18Å; L171-L189 HydrophobicContact CD1-CD2 4.25Å; L171-V209 HydrophobicContact CD1-CB 3.71Å; L171-V209 HydrophobicContact CD1-CG1 4.15Å; L171-V209 HydrophobicContact CD1-CG2 3.5Å; L171-F211 HydrophobicContact CD1-CE2 3.98Å; L171-F211 HydrophobicContact CD1-CZ 3.97Å; L171-F211 HydrophobicContact CD2-CE2 3.9Å; L171-F211 HydrophobicContact CD2-CZ 3.79Å
172C91.3Very high90.4Very high19 Ų1946.2 Ų46.213%0.12827%0.268CS..Hα-helixtrans-58.1-46.8171.9-71.60000110.8F168 Q169 S176 L185F168-C172 WeakPolarHBondContact CE1-SG 3.43Å; F168-C172 PolarHBondContact O-N 3.19Å; F168-C172 PolarHBondContact O-SG 2.93Å; F168-C172 VanDerWaalsContact O-SG 3.41Å; Q169-C172 WeakPolarHBondContact O-CB 3.3Å; Q169-C172 PolarHBondContact O-N 3.4Å; C172-S176 PolarHBondContact O-N 2.84Å; C172-S176 VanDerWaalsContact O-N 3.16Å; C172-L185 HydrophobicContact CB-CD2 4.47Å
173T94.3Very high90.6Very high93 Ų9343 Ų4357%0.57125%0.245SC*.Hα-helixtrans-63.2-48.4177.2-58.20000111.4Q169 E170 L171 S175 S176Q169-T173 PolarHBondContact O-N 3.47Å; Q169-T173 PolarHBondContact O-OG1 3.04Å; E170-T173 PolarHBondContact O-N 3.45Å; L171-T173 VanDerWaalsContact C-N 3.32Å; L171-T173 PolarHBondContact O-N 3.06Å; T173-S175 VanDerWaalsContact C-N 3.33Å; T173-S175 PolarHBondContact O-N 3.4Å; T173-S176 WeakPolarHBondContact O-CB 3.43Å; T173-S176 PolarHBondContact O-N 2.96Å; T173-S176 PolarHBondContact O-OG 3.16Å
174L94.4Very high90.9Very high35 Ų3542.1 Ų42.118%0.18324%0.24CC..Hα-helixtrans-63-38.3-177.8-17967.5000112.5V154 F160 E170 L171V154-L174 HydrophobicContact CG1-CD1 3.66Å; V154-L174 HydrophobicContact CG1-CD2 4.22Å; V154-L174 HydrophobicContact CG1-CG 3.64Å; F160-L174 HydrophobicContact CD2-CD1 4.33Å; F160-L174 HydrophobicContact CD2-CD2 4Å; F160-L174 HydrophobicContact CE2-CD1 4.46Å; E170-L174 WeakPolarHBondContact O-CB 3.42Å; E170-L174 PolarHBondContact O-N 2.88Å; L171-L174 HydrophobicContact CD2-CD2 4.14Å; L171-L174 PolarHBondContact O-N 3.4Å
175S93.6Very high91.2Very high3 Ų341.4 Ų41.42%0.02124%0.235CC..Hα-helixtrans-92.61-175.468.30000114.2L171 T173 N177 I178 C179L171-S175 WeakPolarHBondContact O-CB 3.32Å; L171-S175 PolarHBondContact O-N 2.98Å; L171-S175 PolarHBondContact O-OG 3.06Å; T173-S175 VanDerWaalsContact C-N 3.33Å; T173-S175 PolarHBondContact O-N 3.4Å; S175-N177 PolarHBondContact O-N 3.48Å; S175-I178 WeakPolarHBondContact O-CG1 3.48Å; S175-I178 PolarHBondContact O-N 2.78Å; S175-C179 PolarHBondContact O-N 2.68Å
176S93.4Very high91.1Very high75 Ų7541.6 Ų41.652%0.52424%0.236SC..THydrogen-bonded Turntrans-54.7-28.1-17757.60000114.9C172 T173C172-S176 PolarHBondContact O-N 2.84Å; C172-S176 VanDerWaalsContact O-N 3.16Å; T173-S176 WeakPolarHBondContact O-CB 3.43Å; T173-S176 PolarHBondContact O-N 2.96Å; T173-S176 PolarHBondContact O-OG 3.16Å
177N91.6Very high90.9Very high158 Ų15841.6 Ų41.685%0.84524%0.236SC*.THydrogen-bonded Turntrans-85.8-16177.8-68.2-43000114S175S175-N177 PolarHBondContact O-N 3.48Å
178I92Very high91.1Very high31 Ų3141.3 Ų41.316%0.15923%0.234CC..THydrogen-bonded Turntrans-113.5-32.3-175.659.2163.6000112.6K147 E150 L151 V154 S175K147-I178 VanDerWaalsContact CD-O 3.25Å; K147-I178 WeakPolarHBondContact CD-O 3.44Å; K147-I178 VanDerWaalsContact CE-O 3.25Å; K147-I178 WeakPolarHBondContact CE-O 3.39Å; K147-I178 PolarHBondContact NZ-O 2.85Å; E150-I178 HydrophobicContact CB-CD1 4.04Å; L151-I178 VanDerWaalsContact CA-CD1 3.49Å; L151-I178 HydrophobicContact CB-CD1 4.06Å; L151-I178 HydrophobicContact CD1-CD1 4.3Å; V154-I178 HydrophobicContact CB-CD1 4.41Å; V154-I178 HydrophobicContact CG2-CD1 4.04Å; V154-I178 HydrophobicContact CG2-CG2 4.18Å; S175-I178 WeakPolarHBondContact O-CG1 3.48Å; S175-I178 PolarHBondContact O-N 2.78Å
179C90.4Very high91.2Very high9 Ų940.4 Ų40.46%0.06123%0.23CC..  trans-101.2131.3177.4-67.20000109.3S175 D181 T184 L185S175-C179 PolarHBondContact O-N 2.68Å; C179-D181 VanDerWaalsContact C-N 3.28Å; C179-D181 PolarHBondContact O-N 3.23Å; C179-T184 HydrophobicContact CB-CG2 4.12Å; C179-L185 HydrophobicContact CB-CB 4.31Å
180A89.5Confident91.2Very high55 Ų5534.8 Ų34.846%0.45520%0.204SC..SBendtrans-67-31.7178.800000113R55 G56R55-A180 VanDerWaalsContact O-CB 3.3Å; R55-A180 WeakPolarHBondContact O-CB 3.3Å; G56-A180 WeakPolarHBondContact O-CB 3.49Å
181D86.7Confident91.3Very high78 Ų7833.3 Ų33.342%0.41720%0.197SC..SBendtrans-157.8172.7-177.353.331.8000111C179 S183 T184 L185C179-D181 VanDerWaalsContact C-N 3.28Å; C179-D181 PolarHBondContact O-N 3.23Å; D181-S183 PolarHBondContact O-N 3.1Å; D181-S183 WeakPolarHBondContact OD1-CB 3.38Å; D181-S183 PolarHBondContact OD1-N 3.31Å; D181-T184 WeakPolarHBondContact O-CB 3.36Å; D181-T184 PolarHBondContact O-N 2.81Å; D181-T184 VanDerWaalsContact OD1-CB 3.32Å; D181-T184 WeakPolarHBondContact OD1-CB 3.46Å; D181-T184 PolarHBondContact OD1-N 2.69Å; D181-T184 PolarHBondContact OD1-OG1 3.44Å; D181-L185 PolarHBondContact O-N 2.88Å
182E86.8Confident91.3Very high95 Ų9533.4 Ų33.444%0.44420%0.197SC..Hα-helixtrans-61.8-29.4176.9-59.7-171.9176.900112.7M113 F168 T184 L185 C186M113-E182 HydrophobicContact CE-CB 3.51Å; M113-E182 WeakPolarHBondContact CE-OE2 3.34Å; F168-E182 HydrophobicContact CZ-CB 4.48Å; E182-T184 VanDerWaalsContact C-N 3.34Å; E182-L185 PolarHBondContact O-N 3.15Å; E182-C186 WeakPolarHBondContact O-CB 3.36Å; E182-C186 PolarHBondContact O-N 3.43Å; E182-C186 PolarHBondContact O-SG 2.98Å
183S85.9Confident91.3Very high35 Ų3533.8 Ų33.825%0.24520%0.197CC..Hα-helixtrans-64.7-42.1177-172.60000111.1I59 D181 C186 M187I59-S183 WeakPolarHBondContact CD1-OG 3.48Å; D181-S183 PolarHBondContact O-N 3.1Å; D181-S183 WeakPolarHBondContact OD1-CB 3.38Å; D181-S183 PolarHBondContact OD1-N 3.31Å; S183-C186 WeakPolarHBondContact O-CB 3.32Å; S183-C186 PolarHBondContact O-N 2.85Å; S183-M187 WeakPolarHBondContact O-CG 3.35Å; S183-M187 PolarHBondContact O-N 3.41Å
184T90.3Very high91.1Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-63.6-42.6175.1-57.80000111.4V58 K147 C179 D181 E182 C186 M187 A188V58-T184 HydrophobicContact CG1-CG2 3.86Å; V58-T184 HydrophobicContact CG2-CG2 3.98Å; K147-T184 HydrophobicContact CD-CG2 4.33Å; K147-T184 HydrophobicContact CG-CG2 4.14Å; C179-T184 HydrophobicContact CB-CG2 4.12Å; D181-T184 WeakPolarHBondContact O-CB 3.36Å; D181-T184 PolarHBondContact O-N 2.81Å; D181-T184 VanDerWaalsContact OD1-CB 3.32Å; D181-T184 WeakPolarHBondContact OD1-CB 3.46Å; D181-T184 PolarHBondContact OD1-N 2.69Å; D181-T184 PolarHBondContact OD1-OG1 3.44Å; E182-T184 VanDerWaalsContact C-N 3.34Å; T184-C186 VanDerWaalsContact C-N 3.33Å; T184-C186 PolarHBondContact O-N 2.83Å; T184-M187 PolarHBondContact O-N 2.72Å; T184-A188 WeakPolarHBondContact O-CB 3.39Å; T184-A188 PolarHBondContact O-N 2.91Å
185L91.9Very high91Very high1 Ų135.9 Ų35.91%0.00520%0.2CC..Hα-helixtrans-59.7-44.7172.7174.660.1000111.3L151 F168 L171 C172 C179 D181 E182 M187 A188 L189L151-L185 HydrophobicContact CD1-CD1 3.84Å; L151-L185 HydrophobicContact CD2-CD1 3.55Å; L151-L185 HydrophobicContact CG-CD1 4.36Å; F168-L185 HydrophobicContact CD2-CD2 4.47Å; F168-L185 HydrophobicContact CE2-CD2 3.86Å; F168-L185 HydrophobicContact CE2-CG 4.18Å; F168-L185 HydrophobicContact CZ-CD2 4.01Å; L171-L185 HydrophobicContact CB-CD2 4.18Å; C172-L185 HydrophobicContact CB-CD2 4.47Å; C179-L185 HydrophobicContact CB-CB 4.31Å; D181-L185 PolarHBondContact O-N 2.88Å; E182-L185 PolarHBondContact O-N 3.15Å; L185-M187 PolarHBondContact O-N 2.92Å; L185-A188 WeakPolarHBondContact O-CB 3.17Å; L185-A188 PolarHBondContact O-N 3.45Å; L185-L189 HydrophobicContact CD1-CD1 4.23Å; L185-L189 HydrophobicContact CD1-CG 4.18Å; L185-L189 HydrophobicContact CG-CD1 4.13Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 3Å
186C89.8Confident90.9Very high6 Ų641.2 Ų41.24%0.04122%0.223CC..Hα-helixtrans-59-45.1176.8-85.30000112.7W106 M113 E182 S183 T184 A188 L189 L190W106-C186 HydrophobicContact CH2-CB 3.85Å; W106-C186 HydrophobicContact CZ2-CB 3.68Å; M113-C186 WeakPolarHBondContact CE-SG 3.34Å; E182-C186 WeakPolarHBondContact O-CB 3.36Å; E182-C186 PolarHBondContact O-N 3.43Å; E182-C186 PolarHBondContact O-SG 2.98Å; S183-C186 WeakPolarHBondContact O-CB 3.32Å; S183-C186 PolarHBondContact O-N 2.85Å; T184-C186 VanDerWaalsContact C-N 3.33Å; T184-C186 PolarHBondContact O-N 2.83Å; C186-A188 VanDerWaalsContact C-N 3.35Å; C186-L189 PolarHBondContact O-N 3.39Å; C186-L190 WeakPolarHBondContact O-CB 3.47Å; C186-L190 PolarHBondContact O-N 2.9Å
187M90.4Very high91Very high2 Ų239.8 Ų39.81%0.0121%0.208CC..Hα-helixtrans-65.3-38.1176.3-67-57.1121.700112.2V58 I59 E95 F98 L114 V139 V144 S183 T184 L185 L190 Q191V58-M187 HydrophobicContact CG2-CB 3.77Å; V58-M187 HydrophobicContact CG2-CG 4Å; I59-M187 HydrophobicContact CD1-CG 4.15Å; I59-M187 HydrophobicContact CG1-CG 4.37Å; E95-M187 HydrophobicContact CG-CE 4.17Å; E95-M187 HydrophobicContact CG-SD 4.45Å; F98-M187 HydrophobicContact CD1-SD 3.76Å; F98-M187 HydrophobicContact CE1-SD 4.07Å; L114-M187 HydrophobicContact CD2-CE 4.14Å; V139-M187 HydrophobicContact CG2-CG 4.36Å; V139-M187 HydrophobicContact CG2-SD 3.71Å; V144-M187 HydrophobicContact CG1-CB 4.37Å; V144-M187 VanDerWaalsContact CG1-O 3.31Å; V144-M187 WeakPolarHBondContact CG1-O 3.17Å; V144-M187 HydrophobicContact CG2-CB 3.99Å; S183-M187 WeakPolarHBondContact O-CG 3.35Å; S183-M187 PolarHBondContact O-N 3.41Å; T184-M187 PolarHBondContact O-N 2.72Å; L185-M187 PolarHBondContact O-N 2.92Å; M187-L190 HydrophobicContact CE-CD1 3.79Å; M187-L190 WeakPolarHBondContact O-CB 3.36Å; M187-L190 PolarHBondContact O-N 3.38Å; M187-L190 HydrophobicContact SD-CD1 3.91Å; M187-Q191 PolarHBondContact O-N 2.93Å
188A94.4Very high91Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-63.8-43.4174.400000111.8K147 L151 T184 L185 C186 Q191 L192K147-A188 HydrophobicContact CB-CB 4.1Å; L151-A188 HydrophobicContact CD2-CB 4.16Å; T184-A188 WeakPolarHBondContact O-CB 3.39Å; T184-A188 PolarHBondContact O-N 2.91Å; L185-A188 WeakPolarHBondContact O-CB 3.17Å; L185-A188 PolarHBondContact O-N 3.45Å; C186-A188 VanDerWaalsContact C-N 3.35Å; A188-Q191 PolarHBondContact O-N 3.41Å; A188-L192 WeakPolarHBondContact O-CG 3.23Å; A188-L192 PolarHBondContact O-N 3.34Å
189L92.8Very high90.9Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-64-41.6175.9-73.3172.6000112.3W106 L151 F168 L171 L185 C186 Q191 L192 Q193 V198 V209W106-L189 HydrophobicContact CH2-CB 4.18Å; W106-L189 HydrophobicContact CH2-CD1 4.47Å; W106-L189 HydrophobicContact CZ3-CB 4.09Å; W106-L189 HydrophobicContact CZ3-CD1 4.45Å; L151-L189 HydrophobicContact CD2-CD2 3.85Å; L151-L189 HydrophobicContact CD2-CG 4.13Å; F168-L189 HydrophobicContact CD2-CD1 4.03Å; F168-L189 HydrophobicContact CE2-CD1 3.87Å; L171-L189 HydrophobicContact CD1-CD2 4.25Å; L185-L189 HydrophobicContact CD1-CD1 4.23Å; L185-L189 HydrophobicContact CD1-CG 4.18Å; L185-L189 HydrophobicContact CG-CD1 4.13Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 3Å; C186-L189 PolarHBondContact O-N 3.39Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.32Å; L189-L192 PolarHBondContact O-N 3.48Å; L189-Q193 WeakPolarHBondContact O-CB 3.44Å; L189-Q193 PolarHBondContact O-N 3.12Å; L189-V198 HydrophobicContact CD2-CG2 4.46Å; L189-V209 HydrophobicContact CD1-CG2 4.3Å; L189-V209 HydrophobicContact CD2-CG1 3.94Å; L189-V209 HydrophobicContact CD2-CG2 4.4Å
190L90.9Very high90.7Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-56.3-46.2172.5-90.7172.4000112F98 A99 V102 W106 C186 M187 Q193 K194F98-L190 HydrophobicContact CD1-CB 4.45Å; F98-L190 HydrophobicContact CD1-CD1 4.05Å; F98-L190 HydrophobicContact CE1-CB 3.74Å; F98-L190 HydrophobicContact CE1-CD1 4.11Å; A99-L190 HydrophobicContact CB-CD1 4.06Å; V102-L190 HydrophobicContact CB-CD2 3.87Å; V102-L190 HydrophobicContact CG1-CD2 4.37Å; V102-L190 HydrophobicContact CG2-CD2 3.68Å; W106-L190 HydrophobicContact CB-CD2 4.03Å; W106-L190 HydrophobicContact CD2-CD2 3.68Å; W106-L190 HydrophobicContact CD2-CG 3.84Å; W106-L190 VanDerWaalsContact CE2-CG 3.44Å; W106-L190 HydrophobicContact CG-CD2 3.37Å; W106-L190 HydrophobicContact CG-CG 4.04Å; W106-L190 HydrophobicContact CZ2-CD1 4.17Å; W106-L190 HydrophobicContact CZ2-CG 3.86Å; C186-L190 WeakPolarHBondContact O-CB 3.47Å; C186-L190 PolarHBondContact O-N 2.9Å; M187-L190 HydrophobicContact CE-CD1 3.79Å; M187-L190 WeakPolarHBondContact O-CB 3.36Å; M187-L190 PolarHBondContact O-N 3.38Å; M187-L190 HydrophobicContact SD-CD1 3.91Å; L190-Q193 PolarHBondContact O-N 3.12Å; L190-K194 WeakPolarHBondContact O-CB 3.4Å; L190-K194 PolarHBondContact O-N 3.32Å
191Q94.1Very high90.4Very high5 Ų531.7 Ų31.72%0.02316%0.159CC..Hα-helixtrans-63.5-44.8176.9-179.456.455.600111.7F98 V144 K145 A148 M187 A188 L189 Q193 K194 D195F98-Q191 HydrophobicContact CZ-CB 4.18Å; V144-Q191 HydrophobicContact CG1-CB 3.48Å; V144-Q191 VanDerWaalsContact CG1-CB 3.48Å; V144-Q191 HydrophobicContact CG1-CG 3.98Å; K145-Q191 HydrophobicContact CG-CG 4.13Å; A148-Q191 HydrophobicContact CB-CB 3.97Å; A148-Q191 HydrophobicContact CB-CG 3.77Å; M187-Q191 PolarHBondContact O-N 2.93Å; A188-Q191 PolarHBondContact O-N 3.41Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.32Å; Q191-Q193 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 3.43Å; Q191-K194 WeakPolarHBondContact O-CB 3.46Å; Q191-K194 PolarHBondContact O-N 2.98Å; Q191-D195 PolarHBondContact NE2-OD1 3Å; Q191-D195 PolarHBondContact NE2-OD2 3.15Å; Q191-D195 PolarHBondContact O-N 3.5Å
192L93.7Very high90.2Very high1 Ų131.9 Ų31.91%0.00516%0.159CC..Hα-helixtrans-62.1-35.7175.3-70.6176.6000112.4A148 L151 L152 A188 L189 D195 K196 Q197 V198 F211A148-L192 HydrophobicContact CB-CD2 3.92Å; A148-L192 HydrophobicContact CB-CG 3.88Å; L151-L192 HydrophobicContact CD2-CD1 3.93Å; L151-L192 HydrophobicContact CG-CD1 4.37Å; L152-L192 HydrophobicContact CB-CD2 4.33Å; L152-L192 HydrophobicContact CD2-CD2 4.46Å; A188-L192 WeakPolarHBondContact O-CG 3.23Å; A188-L192 PolarHBondContact O-N 3.34Å; L189-L192 PolarHBondContact O-N 3.48Å; L192-D195 CarbonylContact O-C 3.6Å; L192-D195 PolarHBondContact O-N 3.06Å; L192-K196 PolarHBondContact O-N 3.11Å; L192-K196 VanDerWaalsContact O-N 3.08Å; L192-Q197 HydrophobicContact CB-CB 4.41Å; L192-Q197 HydrophobicContact CD2-CB 4.16Å; L192-Q197 PolarHBondContact O-N 3.27Å; L192-V198 HydrophobicContact CB-CB 4.34Å; L192-V198 HydrophobicContact CB-CG1 3.94Å; L192-V198 HydrophobicContact CB-CG2 3.56Å; L192-V198 HydrophobicContact CD1-CG1 3.98Å; L192-F211 HydrophobicContact CD1-CE1 4.45Å
193Q91.1Very high89.8Confident28 Ų2829.6 Ų29.613%0.13115%0.149CC..Hα-helixtrans-70.6-40.8178.1-172.3166.6-36.300111.2V102 L189 L190 Q191 D195 K196 V198V102-Q193 HydrophobicContact CG1-CB 4.07Å; V102-Q193 HydrophobicContact CG1-CG 3.57Å; L189-Q193 WeakPolarHBondContact O-CB 3.44Å; L189-Q193 PolarHBondContact O-N 3.12Å; L190-Q193 PolarHBondContact O-N 3.12Å; Q191-Q193 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 3.43Å; Q193-D195 PolarHBondContact O-N 2.97Å; Q193-K196 WeakPolarHBondContact O-CA 3.29Å; Q193-K196 PolarHBondContact O-N 3.4Å; Q193-V198 HydrophobicContact CB-CG2 4Å
194K89.6Confident89.6Confident100 Ų10034.5 Ų34.544%0.43517%0.168SC..Hα-helixtrans-57.3-38.9169.9-176174.9-177.2167.10111.8V102 L190 Q191 K196V102-K194 HydrophobicContact CG2-CB 4.1Å; L190-K194 WeakPolarHBondContact O-CB 3.4Å; L190-K194 PolarHBondContact O-N 3.32Å; Q191-K194 WeakPolarHBondContact O-CB 3.46Å; Q191-K194 PolarHBondContact O-N 2.98Å; K194-K196 PolarHBondContact O-N 3.19Å
195D92.8Very high88.9Confident71 Ų7137.7 Ų37.738%0.3820%0.2SC..THydrogen-bonded Turntrans-79.70.7176.3-61-24.2000113.1Q191 L192 Q193 Q197Q191-D195 PolarHBondContact NE2-OD1 3Å; Q191-D195 PolarHBondContact NE2-OD2 3.15Å; Q191-D195 PolarHBondContact O-N 3.5Å; L192-D195 CarbonylContact O-C 3.6Å; L192-D195 PolarHBondContact O-N 3.06Å; Q193-D195 PolarHBondContact O-N 2.97Å; D195-Q197 HydrophobicContact CB-CG 4.16Å; D195-Q197 PolarHBondContact O-N 3.18Å
196K91.9Very high88.4Confident116 Ų11640.1 Ų40.150%0.50421%0.212SC..THydrogen-bonded Turntrans59.228.4-178.3-53.3-178.9179.5-175.80113.8L192 Q193 K194 R218 V219L192-K196 PolarHBondContact O-N 3.11Å; L192-K196 VanDerWaalsContact O-N 3.08Å; Q193-K196 WeakPolarHBondContact O-CA 3.29Å; Q193-K196 PolarHBondContact O-N 3.4Å; K194-K196 PolarHBondContact O-N 3.19Å; K196-R218 HydrophobicContact CB-CB 4.5Å; K196-R218 HydrophobicContact CB-CG 4.21Å; K196-R218 CarbonylContact O-C 3.58Å; K196-R218 VanDerWaalsContact O-CA 3.27Å; K196-R218 WeakPolarHBondContact O-CA 3.37Å; K196-V219 WeakPolarHBondContact O-CG1 3.49Å; K196-V219 PolarHBondContact O-N 3.21Å
197Q93.8Very high88.1Confident44 Ų4442.8 Ų42.821%0.20622%0.223CC..SBendtrans-93.2-20.2177.4-64.4-174.288.800112.4L192 D195 C212L192-Q197 HydrophobicContact CB-CB 4.41Å; L192-Q197 HydrophobicContact CD2-CB 4.16Å; L192-Q197 PolarHBondContact O-N 3.27Å; D195-Q197 HydrophobicContact CB-CG 4.16Å; D195-Q197 PolarHBondContact O-N 3.18Å; Q197-C212 PolarHBondContact O-N 3.13Å
198V92.8Very high88.1Confident1 Ų142.7 Ų42.71%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-136.9155.3174.8-56.10000111.9L189 L192 Q193 V209 K210 F211L189-V198 HydrophobicContact CD2-CG2 4.46Å; L192-V198 HydrophobicContact CB-CB 4.34Å; L192-V198 HydrophobicContact CB-CG1 3.94Å; L192-V198 HydrophobicContact CB-CG2 3.56Å; L192-V198 HydrophobicContact CD1-CG1 3.98Å; Q193-V198 HydrophobicContact CB-CG2 4Å; V198-V209 HydrophobicContact CB-CG1 3.95Å; V198-V209 HydrophobicContact CG1-CG1 4.2Å; V198-V209 HydrophobicContact CG2-CG1 4.47Å; V198-K210 CarbonylContact C-O 3.56Å; V198-K210 WeakPolarHBondContact CA-O 3.46Å; V198-K210 WeakPolarHBondContact CB-O 3.5Å; V198-F211 HydrophobicContact CG1-CD1 3.44Å; V198-F211 VanDerWaalsContact CG1-CD1 3.44Å; V198-F211 HydrophobicContact CG1-CE1 3.58Å; V198-F211 HydrophobicContact CG1-CG 3.99Å; V198-F211 HydrophobicContact CG1-CZ 4.23Å
199I89.1Confident87.9Confident47 Ų4742.7 Ų42.724%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-121.9126.7161.2-62.6164.3000106.8V209 K210 V219 S220 F222I199-V209 WeakPolarHBondContact O-CA 3.41Å; I199-K210 PolarHBondContact N-O 2.97Å; I199-K210 PolarHBondContact O-N 3.05Å; I199-V219 HydrophobicContact CD1-CG1 3.84Å; I199-V219 HydrophobicContact CD1-CG2 4.28Å; I199-V219 HydrophobicContact CG1-CG1 3.55Å; I199-V219 HydrophobicContact CG1-CG2 4.3Å; I199-S220 WeakPolarHBondContact CD1-O 3.38Å; I199-F222 HydrophobicContact CB-CD2 4.06Å; I199-F222 HydrophobicContact CB-CE2 3.9Å; I199-F222 HydrophobicContact CG2-CD2 3.58Å; I199-F222 HydrophobicContact CG2-CE2 3.63Å; I199-F222 WeakPolarHBondContact O-CE2 3.19Å
200V87.1Confident87.9Confident3 Ų342.9 Ų42.92%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-92.6144.3170.4-177.40000107.5W106 W109 I208 V209W106-V200 HydrophobicContact CE3-CB 3.99Å; W106-V200 HydrophobicContact CE3-CG1 4.01Å; W106-V200 HydrophobicContact CE3-CG2 3.94Å; W106-V200 HydrophobicContact CZ3-CB 4.15Å; W106-V200 HydrophobicContact CZ3-CG1 3.91Å; W106-V200 HydrophobicContact CZ3-CG2 3.8Å; W109-V200 HydrophobicContact CE3-CG1 4.01Å; W109-V200 VanDerWaalsContact CH2-C 3.5Å; W109-V200 WeakPolarHBondContact CH2-O 3.48Å; W109-V200 HydrophobicContact CZ3-CB 3.78Å; W109-V200 HydrophobicContact CZ3-CG1 3.68Å; W109-V200 VanDerWaalsContact CZ3-O 3.3Å; W109-V200 WeakPolarHBondContact CZ3-O 3.22Å; V200-I208 CarbonylContact C-O 3.5Å; V200-I208 WeakPolarHBondContact CA-O 3.25Å; V200-V209 HydrophobicContact CG1-CG2 4.37Å; V200-V209 HydrophobicContact CG2-CG1 4.19Å; V200-V209 HydrophobicContact CG2-CG2 4.06Å
201S82.9Confident88.1Confident33 Ų3343 Ų4323%0.23122%0.223CC..EExtended strand (participates in β ladder)trans-146.2157.9176.4-170.80000110.8K207 I208 F222S201-K207 WeakPolarHBondContact O-CA 3.46Å; S201-I208 PolarHBondContact N-O 3.37Å; S201-I208 PolarHBondContact O-N 3.18Å; S201-F222 VanDerWaalsContact CB-CE2 3.46Å
202L81.9Confident87.9Confident81 Ų8142.9 Ų42.942%0.42422%0.223SC..EExtended strand (participates in β ladder)trans-106116.7171.3-172.375.1000108.5E206 K207L202-E206 WeakPolarHBondContact CA-O 3.48Å; L202-K207 HydrophobicContact CD1-CG 4.04Å
203H79.1Confident87.3Confident47 Ų4747.5 Ų47.522%0.21825%0.245CC..EExtended strand (participates in β ladder)trans-122.7121.4177.9-169.972000109.4G205 E206 I208H203-G205 PolarHBondContact O-N 3.13Å; H203-G205 VanDerWaalsContact O-N 3.08Å; H203-E206 PolarHBondContact N-O 3.36Å; H203-E206 WeakPolarHBondContact O-CB 3.44Å; H203-E206 PolarHBondContact O-N 2.99Å; H203-I208 HydrophobicContact CB-CD1 3.73Å; H203-I208 HydrophobicContact CB-CG1 4.29Å
204E81.5Confident86.7Confident139 Ų13952.5 Ų52.565%0.6527%0.272SS*.THydrogen-bonded Turntrans52.132.9-179.6-66.5170.5-152.600114.5E206 Q231E204-E206 VanDerWaalsContact C-N 3.28Å; E204-E206 PolarHBondContact O-N 3.36Å; E204-Q231 PolarHBondContact OE1-NE2 3.29Å
205G76.1Confident86.2Confident66 Ų6651.8 Ų51.868%0.6829%0.292SS*.THydrogen-bonded Turntrans82.8-1.5-178.200000114.8H203H203-G205 PolarHBondContact O-N 3.13Å; H203-G205 VanDerWaalsContact O-N 3.08Å
206E80.5Confident85.8Confident53 Ų5352.2 Ų52.225%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-101.5135.3175.4-175.4171.4-154.600111.1S167 L202 H203 E204 I208 Y230 R234S167-E206 WeakPolarHBondContact CB-OE1 3.35Å; L202-E206 WeakPolarHBondContact CA-O 3.48Å; H203-E206 PolarHBondContact N-O 3.36Å; H203-E206 WeakPolarHBondContact O-CB 3.44Å; H203-E206 PolarHBondContact O-N 2.99Å; E204-E206 VanDerWaalsContact C-N 3.28Å; E204-E206 PolarHBondContact O-N 3.36Å; E206-I208 HydrophobicContact CG-CG2 4.38Å; E206-Y230 PolarHBondContact OE1-OH 3.38Å; E206-Y230 VanDerWaalsContact OE1-OH 3.1Å; E206-Y230 PolarHBondContact OE2-OH 3.25Å; E206-R234 IonicContact OE2-CZ 2.69Å; E206-R234 IonicContact OE2-NH1 3.83Å; E206-R234 PolarHBondContact OE2-NH1 3.07Å
207K84.5Confident85.4Confident62 Ų6253.6 Ų53.627%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-80.9124.2173.9-68178.4-173.4172.80109F168 S201 L202F168-K207 HydrophobicContact CB-CB 3.65Å; F168-K207 WeakPolarHBondContact CB-O 3.28Å; F168-K207 HydrophobicContact CG-CB 4.29Å; F168-K207 HydrophobicContact CG-CD 4.42Å; F168-K207 PolarHBondContact N-O 3.3Å; S201-K207 WeakPolarHBondContact O-CA 3.46Å; L202-K207 HydrophobicContact CD1-CG 4.04Å
208I89Confident85.2Confident0 Ų059.5 Ų59.50%033%0.326CS..EExtended strand (participates in β ladder)trans-122.5150.1176.960.8172.5000110.1V165 V166 V200 S201 H203 E206 F222 I227 Y230V165-I208 HydrophobicContact CG1-CB 3.9Å; V165-I208 HydrophobicContact CG1-CD1 4Å; V165-I208 HydrophobicContact CG1-CG1 4.35Å; V166-I208 CarbonylContact O-C 3.43Å; V166-I208 WeakPolarHBondContact O-CA 3.43Å; V200-I208 CarbonylContact C-O 3.5Å; V200-I208 WeakPolarHBondContact CA-O 3.25Å; S201-I208 PolarHBondContact N-O 3.37Å; S201-I208 PolarHBondContact O-N 3.18Å; H203-I208 HydrophobicContact CB-CD1 3.73Å; H203-I208 HydrophobicContact CB-CG1 4.29Å; E206-I208 HydrophobicContact CG-CG2 4.38Å; I208-F222 HydrophobicContact CD1-CE1 3.7Å; I208-F222 HydrophobicContact CD1-CZ 3.96Å; I208-F222 HydrophobicContact CG1-CE1 4.25Å; I208-F222 HydrophobicContact CG1-CZ 3.98Å; I208-I227 HydrophobicContact CD1-CD1 3.72Å; I208-Y230 HydrophobicContact CG2-CD1 4.31Å; I208-Y230 HydrophobicContact CG2-CE1 3.67Å; I208-Y230 HydrophobicContact CG2-CE2 3.96Å; I208-Y230 VanDerWaalsContact CG2-CZ 3.47Å
209V91.8Very high85.2Confident0 Ų060.3 Ų60.30%033%0.331CS..EExtended strand (participates in β ladder)trans-127.6120.5-177.4-174.10000108.6V165 V166 L171 L189 V198 I199 V200 F211V165-V209 CarbonylContact C-O 3.44Å; V165-V209 WeakPolarHBondContact CA-O 3.38Å; V166-V209 PolarHBondContact N-O 3.47Å; V166-V209 PolarHBondContact O-N 3.24Å; L171-V209 HydrophobicContact CD1-CB 3.71Å; L171-V209 HydrophobicContact CD1-CG1 4.15Å; L171-V209 HydrophobicContact CD1-CG2 3.5Å; L189-V209 HydrophobicContact CD1-CG2 4.3Å; L189-V209 HydrophobicContact CD2-CG1 3.94Å; L189-V209 HydrophobicContact CD2-CG2 4.4Å; V198-V209 HydrophobicContact CB-CG1 3.95Å; V198-V209 HydrophobicContact CG1-CG1 4.2Å; V198-V209 HydrophobicContact CG2-CG1 4.47Å; I199-V209 WeakPolarHBondContact O-CA 3.41Å; V200-V209 HydrophobicContact CG1-CG2 4.37Å; V200-V209 HydrophobicContact CG2-CG1 4.19Å; V200-V209 HydrophobicContact CG2-CG2 4.06Å; V209-F211 HydrophobicContact CB-CE2 4.02Å; V209-F211 HydrophobicContact CG1-CD2 4.08Å; V209-F211 HydrophobicContact CG1-CE2 3.6Å; V209-F211 HydrophobicContact CG1-CZ 3.97Å
210K93.1Very high85.2Confident3 Ų360.4 Ų60.41%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-92.5129170.7-176.4175.6176.9177.20109.6S164 V165 V198 I199 V219 S220 P221 F222 D226S164-K210 CarbonylContact O-C 3.55Å; S164-K210 WeakPolarHBondContact O-CA 3.43Å; S164-K210 WeakPolarHBondContact O-CG 3.1Å; V165-K210 HydrophobicContact CG2-CB 4.16Å; V165-K210 HydrophobicContact CG2-CG 4.21Å; V198-K210 CarbonylContact C-O 3.56Å; V198-K210 WeakPolarHBondContact CA-O 3.46Å; V198-K210 WeakPolarHBondContact CB-O 3.5Å; I199-K210 PolarHBondContact N-O 2.97Å; I199-K210 PolarHBondContact O-N 3.05Å; K210-V219 HydrophobicContact CB-CG2 4.36Å; K210-V219 HydrophobicContact CD-CG2 4.16Å; K210-V219 HydrophobicContact CG-CG2 3.82Å; K210-S220 WeakPolarHBondContact CE-O 3.29Å; K210-S220 WeakPolarHBondContact CE-OG 3.45Å; K210-S220 PolarHBondContact NZ-O 3.14Å; K210-S220 VanDerWaalsContact NZ-O 3.16Å; K210-S220 PolarHBondContact NZ-OG 3.42Å; K210-P221 PolarHBondContact NZ-O 3.4Å; K210-F222 HydrophobicContact CB-CD1 4.45Å; K210-F222 HydrophobicContact CB-CD2 4.38Å; K210-F222 HydrophobicContact CB-CE1 3.8Å; K210-F222 HydrophobicContact CB-CE2 3.72Å; K210-F222 HydrophobicContact CB-CZ 3.41Å; K210-F222 VanDerWaalsContact CB-CZ 3.41Å; K210-F222 HydrophobicContact CD-CD1 4.23Å; K210-F222 HydrophobicContact CD-CE1 4.35Å; K210-F222 HydrophobicContact CD-CG 4.37Å; K210-D226 WeakPolarHBondContact CE-OD1 3.43Å; K210-D226 VanDerWaalsContact NZ-CG 3.31Å; K210-D226 IonicContact NZ-OD1 3.12Å; K210-D226 PolarHBondContact NZ-OD1 3.22Å; K210-D226 IonicContact NZ-OD2 2.74Å; K210-D226 PolarHBondContact NZ-OD2 2.96Å
211F93.4Very high85.2Confident2 Ų265.3 Ų65.31%0.00937%0.367CS..EExtended strand (participates in β ladder)trans-100.7153.2176.2-72.2-99.9000111.3L152 Y155 S164 L171 L192 V198 V209L152-F211 HydrophobicContact CD1-CD1 3.93Å; L152-F211 HydrophobicContact CD1-CE1 4.39Å; Y155-F211 HydrophobicContact CD1-CB 4.15Å; Y155-F211 AromaticContact CD1-CD1 3.6Å; Y155-F211 HydrophobicContact CD1-CD1 3.6Å; Y155-F211 HydrophobicContact CD1-CD2 4.42Å; Y155-F211 HydrophobicContact CD1-CE1 4.07Å; Y155-F211 AromaticContact CD1-CG 3.81Å; Y155-F211 HydrophobicContact CD1-CG 3.81Å; Y155-F211 HydrophobicContact CD2-CD1 4.41Å; Y155-F211 HydrophobicContact CD2-CD2 4.01Å; Y155-F211 HydrophobicContact CD2-CE1 4.42Å; Y155-F211 HydrophobicContact CD2-CE2 4.02Å; Y155-F211 HydrophobicContact CD2-CG 4.22Å; Y155-F211 HydrophobicContact CD2-CZ 4.24Å; Y155-F211 HydrophobicContact CE1-CB 3.43Å; Y155-F211 VanDerWaalsContact CE1-CB 3.43Å; Y155-F211 AromaticContact CE1-CD1 3.81Å; Y155-F211 HydrophobicContact CE1-CD1 3.81Å; Y155-F211 HydrophobicContact CE1-CD2 4.18Å; Y155-F211 AromaticContact CE1-CG 3.54Å; Y155-F211 HydrophobicContact CE1-CG 3.54Å; Y155-F211 HydrophobicContact CE2-CB 4.35Å; Y155-F211 AromaticContact CE2-CD2 3.73Å; Y155-F211 HydrophobicContact CE2-CD2 3.73Å; Y155-F211 HydrophobicContact CE2-CE2 4.16Å; Y155-F211 AromaticContact CE2-CG 3.98Å; Y155-F211 HydrophobicContact CE2-CG 3.98Å; Y155-F211 AromaticContact CG-CD1 3.93Å; Y155-F211 HydrophobicContact CG-CD1 3.93Å; Y155-F211 HydrophobicContact CG-CD2 4.35Å; Y155-F211 AromaticContact CG-CE1 3.96Å; Y155-F211 HydrophobicContact CG-CE1 3.96Å; Y155-F211 HydrophobicContact CG-CE2 4.38Å; Y155-F211 HydrophobicContact CG-CG 4.14Å; Y155-F211 HydrophobicContact CG-CZ 4.19Å; Y155-F211 AromaticContact CZ-CD2 3.83Å; Y155-F211 AromaticContact CZ-CG 3.64Å; S164-F211 PolarHBondContact O-N 3.24Å; L171-F211 HydrophobicContact CD1-CE2 3.98Å; L171-F211 HydrophobicContact CD1-CZ 3.97Å; L171-F211 HydrophobicContact CD2-CE2 3.9Å; L171-F211 HydrophobicContact CD2-CZ 3.79Å; L192-F211 HydrophobicContact CD1-CE1 4.45Å; V198-F211 HydrophobicContact CG1-CD1 3.44Å; V198-F211 VanDerWaalsContact CG1-CD1 3.44Å; V198-F211 HydrophobicContact CG1-CE1 3.58Å; V198-F211 HydrophobicContact CG1-CG 3.99Å; V198-F211 HydrophobicContact CG1-CZ 4.23Å; V209-F211 HydrophobicContact CB-CE2 4.02Å; V209-F211 HydrophobicContact CG1-CD2 4.08Å; V209-F211 HydrophobicContact CG1-CE2 3.6Å; V209-F211 HydrophobicContact CG1-CZ 3.97Å
212C90.4Very high85.3Confident3 Ų366.1 Ų66.12%0.0237%0.367CS..PPolyproline II helixtrans-60.7136.8166.361.90000110.3Q197 V219Q197-C212 PolarHBondContact O-N 3.13Å; C212-V219 HydrophobicContact CB-CB 4.16Å
213Q81.6Confident85.4Confident99 Ų9963.8 Ų63.846%0.46336%0.362SS..PPolyproline II helixtrans-70.6160.4179-66.1-179.4-11.600111.6G215 Q216Q213-G215 PolarHBondContact O-N 3.44Å; Q213-Q216 HydrophobicContact CB-CG 4.4Å; Q213-Q216 WeakPolarHBondContact O-CB 3.46Å; Q213-Q216 PolarHBondContact O-N 3.02Å
214L78.7Confident85.8Confident133 Ų13368.7 Ų68.770%0.69639%0.39SS*.THydrogen-bonded Turntrans-54.7128.1173.4-76.4159.7000110.4Q216L214-Q216 VanDerWaalsContact C-N 3.32Å
215G78.8Confident86.2Confident84 Ų8468.4 Ų68.487%0.86639%0.392SS*.THydrogen-bonded Turntrans83.4-1.1-177.100000115.2Q213Q213-G215 PolarHBondContact O-N 3.44Å
216Q83.6Confident86.9Confident80 Ų8066.2 Ų66.237%0.37436%0.364SS..  trans-105.3132171.4-64.6-175-2000111.2Q213 L214 R218Q213-Q216 HydrophobicContact CB-CG 4.4Å; Q213-Q216 WeakPolarHBondContact O-CB 3.46Å; Q213-Q216 PolarHBondContact O-N 3.02Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; Q216-R218 VanDerWaalsContact C-N 3.33Å
217D84.1Confident87.3Confident146 Ų14665.1 Ų65.178%0.78136%0.36SS*.SBendtrans-82.4-15.1176.4-65.4-28.4000113
218R89.6Confident87.5Confident167 Ų16763.4 Ų63.463%0.6336%0.36SS*.SBendtrans-137139.1-178.1-62.4-176.5-177.5173.83.5111K196 Q216K196-R218 HydrophobicContact CB-CB 4.5Å; K196-R218 HydrophobicContact CB-CG 4.21Å; K196-R218 CarbonylContact O-C 3.58Å; K196-R218 VanDerWaalsContact O-CA 3.27Å; K196-R218 WeakPolarHBondContact O-CA 3.37Å; Q216-R218 VanDerWaalsContact C-N 3.33Å
219V91.8Very high87.6Confident19 Ų1966.7 Ų66.712%0.11538%0.377CS..PPolyproline II helixtrans-71.7139.4174.667.10000110.8K196 I199 K210 C212K196-V219 WeakPolarHBondContact O-CG1 3.49Å; K196-V219 PolarHBondContact O-N 3.21Å; I199-V219 HydrophobicContact CD1-CG1 3.84Å; I199-V219 HydrophobicContact CD1-CG2 4.28Å; I199-V219 HydrophobicContact CG1-CG1 3.55Å; I199-V219 HydrophobicContact CG1-CG2 4.3Å; K210-V219 HydrophobicContact CB-CG2 4.36Å; K210-V219 HydrophobicContact CD-CG2 4.16Å; K210-V219 HydrophobicContact CG-CG2 3.82Å; C212-V219 HydrophobicContact CB-CB 4.16Å
220S89.1Confident87.5Confident48 Ų4867.2 Ų67.234%0.33638%0.379SS..PPolyproline II helixtrans-79.8151.2172.355.80000111I199 K210I199-S220 WeakPolarHBondContact CD1-O 3.38Å; K210-S220 WeakPolarHBondContact CE-O 3.29Å; K210-S220 WeakPolarHBondContact CE-OG 3.45Å; K210-S220 PolarHBondContact NZ-O 3.14Å; K210-S220 VanDerWaalsContact NZ-O 3.16Å; K210-S220 PolarHBondContact NZ-OG 3.42Å
221P87.4Confident87.4Confident106 Ų10670.9 Ų70.969%0.68840%0.396SS*.PPolyproline II helixtrans-51.2152.2173.3-25.134.4000112.1K210 G223K210-P221 PolarHBondContact NZ-O 3.4Å; P221-G223 PolarHBondContact O-N 2.95Å
222F84.9Confident87.4Confident50 Ų5076.8 Ų76.822%0.21943%0.427CS..PPolyproline II helixtrans-60.7132.7170.5-90.3-80.8000110.2V165 I199 S201 I208 K210 D226 I227V165-F222 HydrophobicContact CG1-CE1 4.1Å; V165-F222 HydrophobicContact CG1-CZ 4.48Å; V165-F222 HydrophobicContact CG2-CE1 3.84Å; I199-F222 HydrophobicContact CB-CD2 4.06Å; I199-F222 HydrophobicContact CB-CE2 3.9Å; I199-F222 HydrophobicContact CG2-CD2 3.58Å; I199-F222 HydrophobicContact CG2-CE2 3.63Å; I199-F222 WeakPolarHBondContact O-CE2 3.19Å; S201-F222 VanDerWaalsContact CB-CE2 3.46Å; I208-F222 HydrophobicContact CD1-CE1 3.7Å; I208-F222 HydrophobicContact CD1-CZ 3.96Å; I208-F222 HydrophobicContact CG1-CE1 4.25Å; I208-F222 HydrophobicContact CG1-CZ 3.98Å; K210-F222 HydrophobicContact CB-CD1 4.45Å; K210-F222 HydrophobicContact CB-CD2 4.38Å; K210-F222 HydrophobicContact CB-CE1 3.8Å; K210-F222 HydrophobicContact CB-CE2 3.72Å; K210-F222 HydrophobicContact CB-CZ 3.41Å; K210-F222 VanDerWaalsContact CB-CZ 3.41Å; K210-F222 HydrophobicContact CD-CD1 4.23Å; K210-F222 HydrophobicContact CD-CE1 4.35Å; K210-F222 HydrophobicContact CD-CG 4.37Å; F222-D226 HydrophobicContact CD1-CB 4.22Å; F222-I227 HydrophobicContact CD1-CD1 4.03Å; F222-I227 HydrophobicContact CE1-CD1 4.28Å
223G84.9Confident87.3Confident32 Ų3279.3 Ų79.333%0.3344%0.439SS..  trans-124.5168.5169.400000112.1P221 I225 D226 I227P221-G223 PolarHBondContact O-N 2.95Å; G223-I225 PolarHBondContact O-N 3.5Å; G223-D226 PolarHBondContact N-OD2 3.44Å; G223-D226 WeakPolarHBondContact O-CB 3.33Å; G223-D226 PolarHBondContact O-N 3.09Å; G223-I227 PolarHBondContact O-N 3.09Å
224D87.8Confident87.6Confident151 Ų15180.5 Ų80.581%0.80744%0.439SS*.Hα-helixtrans-59.1-31.9-178.4-60.1-30.1000112.7D226 I227 G228D224-D226 VanDerWaalsContact C-N 3.33Å; D224-D226 PolarHBondContact O-N 3.11Å; D224-I227 PolarHBondContact O-N 3.42Å; D224-G228 PolarHBondContact O-N 2.79Å
225I89Confident88.2Confident133 Ų13377.2 Ų77.268%0.68243%0.427SS*.Hα-helixtrans-63.4-40.4176.2-61.5171.2000110.8G223 I227 G228 I229G223-I225 PolarHBondContact O-N 3.5Å; I225-I227 VanDerWaalsContact C-N 3.33Å; I225-I227 PolarHBondContact O-N 3.22Å; I225-G228 PolarHBondContact O-N 3.39Å; I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 VanDerWaalsContact O-CG1 3.28Å; I225-I229 WeakPolarHBondContact O-CG1 3.37Å; I225-I229 PolarHBondContact O-N 2.79Å
226D90.2Very high88.7Confident19 Ų1978.9 Ų78.910%0.10241%0.412CS..Hα-helixtrans-63.9-41.9179-61.7-62.8000110.9V165 K210 F222 G223 D224 I229 Y230V165-D226 HydrophobicContact CG2-CB 3.87Å; K210-D226 WeakPolarHBondContact CE-OD1 3.43Å; K210-D226 VanDerWaalsContact NZ-CG 3.31Å; K210-D226 IonicContact NZ-OD1 3.12Å; K210-D226 PolarHBondContact NZ-OD1 3.22Å; K210-D226 IonicContact NZ-OD2 2.74Å; K210-D226 PolarHBondContact NZ-OD2 2.96Å; F222-D226 HydrophobicContact CD1-CB 4.22Å; G223-D226 PolarHBondContact N-OD2 3.44Å; G223-D226 WeakPolarHBondContact O-CB 3.33Å; G223-D226 PolarHBondContact O-N 3.09Å; D224-D226 VanDerWaalsContact C-N 3.33Å; D224-D226 PolarHBondContact O-N 3.11Å; D226-I229 PolarHBondContact O-N 2.92Å; D226-Y230 WeakPolarHBondContact O-CB 3.43Å; D226-Y230 PolarHBondContact O-N 3.11Å
227I89.6Confident88.9Confident30 Ų3079.3 Ų79.315%0.15441%0.413CS..Hα-helixtrans-66.9-43.3177.6-57.6-56.7000110.7I208 F222 G223 D224 I225 I229 Y230 Q231I208-I227 HydrophobicContact CD1-CD1 3.72Å; F222-I227 HydrophobicContact CD1-CD1 4.03Å; F222-I227 HydrophobicContact CE1-CD1 4.28Å; G223-I227 PolarHBondContact O-N 3.09Å; D224-I227 PolarHBondContact O-N 3.42Å; I225-I227 VanDerWaalsContact C-N 3.33Å; I225-I227 PolarHBondContact O-N 3.22Å; I227-I229 PolarHBondContact O-N 3.42Å; I227-Y230 PolarHBondContact O-N 3.01Å; I227-Q231 HydrophobicContact CG2-CG 4.44Å; I227-Q231 WeakPolarHBondContact O-CB 3.23Å; I227-Q231 WeakPolarHBondContact O-CG 3.37Å; I227-Q231 PolarHBondContact O-N 3.47Å
228G89.9Confident89.2Confident27 Ų2775.7 Ų75.728%0.27839%0.393SS..Hα-helixtrans-59.8-45.6175.800000112.5D224 I225 Q231 L232D224-G228 PolarHBondContact O-N 2.79Å; I225-G228 PolarHBondContact O-N 3.39Å; G228-Q231 PolarHBondContact O-N 3.04Å; G228-L232 VanDerWaalsContact O-CG 3.31Å; G228-L232 WeakPolarHBondContact O-CG 3.3Å; G228-L232 PolarHBondContact O-N 2.97Å
229I89.9Confident89.4Confident68 Ų6872.6 Ų72.635%0.34939%0.388SS..Hα-helixtrans-61.1-47.5175.8-69167.6000110.4I225 D226 I227 Q231 L232 Q233I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 VanDerWaalsContact O-CG1 3.28Å; I225-I229 WeakPolarHBondContact O-CG1 3.37Å; I225-I229 PolarHBondContact O-N 2.79Å; D226-I229 PolarHBondContact O-N 2.92Å; I227-I229 PolarHBondContact O-N 3.42Å; I229-Q231 PolarHBondContact O-N 2.9Å; I229-L232 WeakPolarHBondContact O-CB 3.35Å; I229-L232 PolarHBondContact O-N 3.05Å; I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 WeakPolarHBondContact O-CG 3.33Å; I229-Q233 PolarHBondContact O-N 2.9Å
230Y90.8Very high89.5Confident12 Ų1276.7 Ų76.75%0.04741%0.407CS..Hα-helixtrans-59-44.6179176.5-103.4000112.4V165 S167 E206 I208 D226 I227 L232 Q233 R234V165-Y230 HydrophobicContact CB-CD2 4.23Å; V165-Y230 HydrophobicContact CG1-CD2 3.73Å; V165-Y230 HydrophobicContact CG1-CE2 4.41Å; V165-Y230 HydrophobicContact CG1-CG 4.01Å; S167-Y230 WeakPolarHBondContact CB-OH 3.34Å; E206-Y230 PolarHBondContact OE1-OH 3.38Å; E206-Y230 VanDerWaalsContact OE1-OH 3.1Å; E206-Y230 PolarHBondContact OE2-OH 3.25Å; I208-Y230 HydrophobicContact CG2-CD1 4.31Å; I208-Y230 HydrophobicContact CG2-CE1 3.67Å; I208-Y230 HydrophobicContact CG2-CE2 3.96Å; I208-Y230 VanDerWaalsContact CG2-CZ 3.47Å; D226-Y230 WeakPolarHBondContact O-CB 3.43Å; D226-Y230 PolarHBondContact O-N 3.11Å; I227-Y230 PolarHBondContact O-N 3.01Å; Y230-L232 VanDerWaalsContact C-N 3.33Å; Y230-L232 PolarHBondContact O-N 2.81Å; Y230-Q233 PolarHBondContact O-N 3.44Å; Y230-R234 WeakPolarHBondContact O-CB 3.39Å; Y230-R234 PolarHBondContact O-N 2.72Å
231Q91Very high89.6Confident80 Ų8079.9 Ų79.937%0.37442%0.416SS..Hα-helixtrans-63.7-37.9177-74.5178.1-13.900112.3E204 I227 G228 I229 S235E204-Q231 PolarHBondContact OE1-NE2 3.29Å; I227-Q231 HydrophobicContact CG2-CG 4.44Å; I227-Q231 WeakPolarHBondContact O-CB 3.23Å; I227-Q231 WeakPolarHBondContact O-CG 3.37Å; I227-Q231 PolarHBondContact O-N 3.47Å; G228-Q231 PolarHBondContact O-N 3.04Å; I229-Q231 PolarHBondContact O-N 2.9Å; Q231-S235 WeakPolarHBondContact O-CB 3.39Å; Q231-S235 PolarHBondContact O-N 2.62Å; Q231-S235 PolarHBondContact O-OG 3.08Å
232L91.7Very high89.9Confident125 Ų12582.1 Ų82.165%0.65441%0.411SS*.Hα-helixtrans-65.1-47.8175.8-74.1170.9000111.3G228 I229 Y230 R234 S235 E236G228-L232 VanDerWaalsContact O-CG 3.31Å; G228-L232 WeakPolarHBondContact O-CG 3.3Å; G228-L232 PolarHBondContact O-N 2.97Å; I229-L232 WeakPolarHBondContact O-CB 3.35Å; I229-L232 PolarHBondContact O-N 3.05Å; Y230-L232 VanDerWaalsContact C-N 3.33Å; Y230-L232 PolarHBondContact O-N 2.81Å; L232-R234 VanDerWaalsContact C-N 3.33Å; L232-R234 PolarHBondContact O-N 3.38Å; L232-S235 WeakPolarHBondContact O-CB 3.19Å; L232-S235 PolarHBondContact O-N 3.25Å; L232-S235 VanDerWaalsContact O-N 3.1Å; L232-E236 PolarHBondContact O-N 2.94Å
233Q88.9Confident90.4Very high57 Ų5783.5 Ų83.527%0.26642%0.423SS..Hα-helixtrans-59.7-43.2177.1-71.2177.6-32.900111.9C163 I229 Y230 S235 E236 K237C163-Q233 PolarHBondContact SG-NE2 2.85Å; I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 WeakPolarHBondContact O-CG 3.33Å; I229-Q233 PolarHBondContact O-N 2.9Å; Y230-Q233 PolarHBondContact O-N 3.44Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; Q233-S235 PolarHBondContact O-N 3.47Å; Q233-E236 PolarHBondContact O-N 3.41Å; Q233-K237 PolarHBondContact O-N 3Å
234R87.9Confident90.8Very high124 Ų12487.9 Ų87.947%0.46844%0.435SS..Hα-helixtrans-62.6-39.2175.2-179.8173.5154-173.8-15112E206 Y230 L232 L238E206-R234 IonicContact OE2-CZ 2.69Å; E206-R234 IonicContact OE2-NH1 3.83Å; E206-R234 PolarHBondContact OE2-NH1 3.07Å; Y230-R234 WeakPolarHBondContact O-CB 3.39Å; Y230-R234 PolarHBondContact O-N 2.72Å; L232-R234 VanDerWaalsContact C-N 3.33Å; L232-R234 PolarHBondContact O-N 3.38Å; R234-L238 WeakPolarHBondContact O-CB 3.44Å; R234-L238 PolarHBondContact O-N 2.97Å; R234-L238 VanDerWaalsContact O-N 3.13Å
235S91.1Very high91.1Very high64 Ų6487 Ų8745%0.44842%0.424SS..Hα-helixtrans-67.9-41.9177.8-60.10000111.8Q231 L232 Q233 L238 L239Q231-S235 WeakPolarHBondContact O-CB 3.39Å; Q231-S235 PolarHBondContact O-N 2.62Å; Q231-S235 PolarHBondContact O-OG 3.08Å; L232-S235 WeakPolarHBondContact O-CB 3.19Å; L232-S235 PolarHBondContact O-N 3.25Å; L232-S235 VanDerWaalsContact O-N 3.1Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; Q233-S235 PolarHBondContact O-N 3.47Å; S235-L238 PolarHBondContact O-N 2.85Å; S235-L239 VanDerWaalsContact O-CG 3.28Å; S235-L239 WeakPolarHBondContact O-CG 3.34Å; S235-L239 PolarHBondContact O-N 2.91Å
236E90.3Very high91.4Very high118 Ų11885.8 Ų85.855%0.55142%0.419SS*.Hα-helixtrans-57.6-52.9174.4179.9174.4-150.200111.2L232 Q233 L238 L239 E240L232-E236 PolarHBondContact O-N 2.94Å; Q233-E236 PolarHBondContact O-N 3.41Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-L238 PolarHBondContact O-N 2.73Å; E236-L239 WeakPolarHBondContact O-CA 3.38Å; E236-L239 WeakPolarHBondContact O-CB 3.4Å; E236-L239 PolarHBondContact O-N 2.85Å; E236-E240 WeakPolarHBondContact O-CG 3.24Å; E236-E240 PolarHBondContact O-N 2.99Å
237K87.3Confident91.5Very high89 Ų8989.3 Ų89.339%0.38744%0.437SS..Hα-helixtrans-56.8-43.4177.8-170.6-179.8-173179.10112.8E170 Q233 L239 E240 E241E170-K237 IonicContact OE1-NZ 2.7Å; E170-K237 PolarHBondContact OE1-NZ 2.73Å; Q233-K237 PolarHBondContact O-N 3Å; K237-L239 VanDerWaalsContact C-N 3.31Å; K237-L239 PolarHBondContact O-N 3.18Å; K237-E240 WeakPolarHBondContact O-CB 3.12Å; K237-E240 PolarHBondContact O-N 3Å; K237-E241 WeakPolarHBondContact O-CG 3.47Å; K237-E241 PolarHBondContact O-N 2.73Å
238L90Very high91.6Very high71 Ų7193.8 Ų93.837%0.37246%0.461SS..Hα-helixtrans-65.9-34.6177.7178.6150.5000112.1R234 S235 E236 R242R234-L238 WeakPolarHBondContact O-CB 3.44Å; R234-L238 PolarHBondContact O-N 2.97Å; R234-L238 VanDerWaalsContact O-N 3.13Å; S235-L238 PolarHBondContact O-N 2.85Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-L238 PolarHBondContact O-N 2.73Å; L238-R242 VanDerWaalsContact CD2-CZ 3.41Å; L238-R242 VanDerWaalsContact O-CG 3.3Å; L238-R242 WeakPolarHBondContact O-CG 3.38Å; L238-R242 PolarHBondContact O-N 3.33Å
239L95.1Very high91.8Very high101 Ų10197 Ų9753%0.52947%0.468SS..Hα-helixtrans-69.2-42.2173.2-71.4168.1000111.2S235 E236 K237 E241 R242 V243S235-L239 VanDerWaalsContact O-CG 3.28Å; S235-L239 WeakPolarHBondContact O-CG 3.34Å; S235-L239 PolarHBondContact O-N 2.91Å; E236-L239 WeakPolarHBondContact O-CA 3.38Å; E236-L239 WeakPolarHBondContact O-CB 3.4Å; E236-L239 PolarHBondContact O-N 2.85Å; K237-L239 VanDerWaalsContact C-N 3.31Å; K237-L239 PolarHBondContact O-N 3.18Å; L239-E241 PolarHBondContact O-N 2.93Å; L239-R242 PolarHBondContact O-N 3Å; L239-V243 WeakPolarHBondContact O-CG2 3.41Å; L239-V243 PolarHBondContact O-N 2.74Å
240E91.9Very high91.9Very high106 Ų10695.8 Ų95.850%0.49547%0.469SS..Hα-helixtrans-58.4-47175.4-71.5-178.3160.100112E236 K237 R242 V243 Q244E236-E240 WeakPolarHBondContact O-CG 3.24Å; E236-E240 PolarHBondContact O-N 2.99Å; K237-E240 WeakPolarHBondContact O-CB 3.12Å; K237-E240 PolarHBondContact O-N 3Å; E240-R242 VanDerWaalsContact C-N 3.31Å; E240-R242 PolarHBondContact O-N 2.65Å; E240-V243 PolarHBondContact O-N 3.19Å; E240-Q244 WeakPolarHBondContact O-CG 3.44Å; E240-Q244 PolarHBondContact O-N 3.27Å
241E92Very high92Very high115 Ų11599.8 Ų99.854%0.53749%0.491SS..Hα-helixtrans-59.4-41.4176.5-73.5175.3-177.400112K237 L239 Q244 K245K237-E241 WeakPolarHBondContact O-CG 3.47Å; K237-E241 PolarHBondContact O-N 2.73Å; L239-E241 PolarHBondContact O-N 2.93Å; E241-Q244 PolarHBondContact O-N 3.43Å; E241-K245 WeakPolarHBondContact O-CB 3.47Å; E241-K245 PolarHBondContact O-N 3.5Å
242R93.4Very high92Very high152 Ų152104 Ų10457%0.57450%0.504SS*.Hα-helixtrans-66.1-42.4176.4-74.4175.6179.8-175.41111.9L238 L239 E240 K245 L246L238-R242 VanDerWaalsContact CD2-CZ 3.41Å; L238-R242 VanDerWaalsContact O-CG 3.3Å; L238-R242 WeakPolarHBondContact O-CG 3.38Å; L238-R242 PolarHBondContact O-N 3.33Å; L239-R242 PolarHBondContact O-N 3Å; E240-R242 VanDerWaalsContact C-N 3.31Å; E240-R242 PolarHBondContact O-N 2.65Å; R242-K245 PolarHBondContact O-N 3.33Å; R242-L246 WeakPolarHBondContact O-CG 3.2Å; R242-L246 PolarHBondContact O-N 2.98Å
243V95.3Very high91.9Very high80 Ų80103.3 Ų103.349%0.48550%0.5SS..Hα-helixtrans-61.4-46.4176.3168.70000110.3L239 E240 K245 L246 N247L239-V243 WeakPolarHBondContact O-CG2 3.41Å; L239-V243 PolarHBondContact O-N 2.74Å; E240-V243 PolarHBondContact O-N 3.19Å; V243-K245 VanDerWaalsContact C-N 3.34Å; V243-K245 PolarHBondContact O-N 3.48Å; V243-L246 PolarHBondContact O-N 3.42Å; V243-N247 VanDerWaalsContact O-CG 3.3Å; V243-N247 PolarHBondContact O-N 3.22Å; V243-N247 PolarHBondContact O-ND2 3.24Å
244Q93.8Very high91.8Very high123 Ų123104.7 Ų104.758%0.57551%0.508SS*.Hα-helixtrans-59.3-44.5176.5-72.3177.36.800111.9E240 E241 N247 L248E240-Q244 WeakPolarHBondContact O-CG 3.44Å; E240-Q244 PolarHBondContact O-N 3.27Å; E241-Q244 PolarHBondContact O-N 3.43Å; Q244-N247 PolarHBondContact O-N 3.07Å; Q244-L248 WeakPolarHBondContact O-CG 3.33Å; Q244-L248 PolarHBondContact O-N 3.19Å
245K93.8Very high91.7Very high132 Ų132104.5 Ų104.557%0.57452%0.516SS*.Hα-helixtrans-61.6-45.1177.1-174.2179.4175.4-175.40112.2E241 R242 V243 N247 L248 E249E241-K245 WeakPolarHBondContact O-CB 3.47Å; E241-K245 PolarHBondContact O-N 3.5Å; R242-K245 PolarHBondContact O-N 3.33Å; V243-K245 VanDerWaalsContact C-N 3.34Å; V243-K245 PolarHBondContact O-N 3.48Å; K245-N247 VanDerWaalsContact C-N 3.34Å; K245-N247 PolarHBondContact O-N 3.11Å; K245-L248 PolarHBondContact O-N 2.94Å; K245-E249 VanDerWaalsContact CE-OE1 3.23Å; K245-E249 WeakPolarHBondContact CE-OE1 3.24Å; K245-E249 WeakPolarHBondContact O-CG 3.42Å; K245-E249 PolarHBondContact O-N 3.44Å
246L94.6Very high91.2Very high109 Ų109105.6 Ų105.657%0.57152%0.517SS*.Hα-helixtrans-64.2-38.5177.9-73170.3000112.1R242 V243 E249 A250R242-L246 WeakPolarHBondContact O-CG 3.2Å; R242-L246 PolarHBondContact O-N 2.98Å; V243-L246 PolarHBondContact O-N 3.42Å; L246-E249 PolarHBondContact O-N 2.87Å; L246-A250 WeakPolarHBondContact O-CB 3.18Å; L246-A250 PolarHBondContact O-N 2.89Å
247N92.4Very high90.5Very high92 Ų92107.1 Ų107.149%0.49253%0.526SS..Hα-helixtrans-62.7-44.4175.3-72.9-21.7000111.5V243 Q244 K245 E249 A250 D251V243-N247 VanDerWaalsContact O-CG 3.3Å; V243-N247 PolarHBondContact O-N 3.22Å; V243-N247 PolarHBondContact O-ND2 3.24Å; Q244-N247 PolarHBondContact O-N 3.07Å; K245-N247 VanDerWaalsContact C-N 3.34Å; K245-N247 PolarHBondContact O-N 3.11Å; N247-E249 VanDerWaalsContact C-N 3.31Å; N247-E249 PolarHBondContact O-N 2.92Å; N247-A250 PolarHBondContact O-N 3.28Å; N247-D251 PolarHBondContact O-N 2.97Å
248L93.4Very high89.5Confident124 Ų124108.9 Ų108.965%0.64954%0.539SS*.Hα-helixtrans-61.9-38.2175.6-70.1170.9000112.4Q244 K245 R252Q244-L248 WeakPolarHBondContact O-CG 3.33Å; Q244-L248 PolarHBondContact O-N 3.19Å; K245-L248 PolarHBondContact O-N 2.94Å; L248-R252 WeakPolarHBondContact O-CB 3.33Å; L248-R252 PolarHBondContact O-N 3.09Å
249E93.2Very high87.9Confident94 Ų94110.2 Ų110.244%0.43955%0.55SS.*Hα-helixtrans-66.9-42.1175.2-73.2176.3-17000111.8K245 L246 N247 R252 L253K245-E249 VanDerWaalsContact CE-OE1 3.23Å; K245-E249 WeakPolarHBondContact CE-OE1 3.24Å; K245-E249 WeakPolarHBondContact O-CG 3.42Å; K245-E249 PolarHBondContact O-N 3.44Å; L246-E249 PolarHBondContact O-N 2.87Å; N247-E249 VanDerWaalsContact C-N 3.31Å; N247-E249 PolarHBondContact O-N 2.92Å; E249-R252 PolarHBondContact O-N 3.29Å; E249-L253 WeakPolarHBondContact O-CG 3.28Å; E249-L253 PolarHBondContact O-N 2.94Å
250A92.7Very high86Confident44 Ų44109.5 Ų109.536%0.36455%0.552SS.*Hα-helixtrans-63.2-46.2176.100000112L246 N247 R252 L253 I254L246-A250 WeakPolarHBondContact O-CB 3.18Å; L246-A250 PolarHBondContact O-N 2.89Å; N247-A250 PolarHBondContact O-N 3.28Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 3.33Å; A250-L253 PolarHBondContact O-N 2.96Å; A250-L253 VanDerWaalsContact O-N 3.16Å; A250-I254 WeakPolarHBondContact O-CG1 3.32Å; A250-I254 PolarHBondContact O-N 2.94Å
251D92.4Very high84.1Confident95 Ų95110.4 Ų110.451%0.50856%0.564SS.*Hα-helixtrans-60.7-40.9177.2-74.3-20.4000111.6N247 I254 L255N247-D251 PolarHBondContact O-N 2.97Å; D251-I254 PolarHBondContact O-N 2.82Å; D251-L255 WeakPolarHBondContact O-CG 3.08Å; D251-L255 PolarHBondContact O-N 3.1Å
252R91.3Very high82Confident169 Ų169115.6 Ų115.664%0.63858%0.579SS**Hα-helixtrans-60.7-45.4174.5-178.7-172.9153.2-168.1-5.7111.6L248 E249 A250 I254 L255 D256L248-R252 WeakPolarHBondContact O-CB 3.33Å; L248-R252 PolarHBondContact O-N 3.09Å; E249-R252 PolarHBondContact O-N 3.29Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 3.33Å; R252-I254 VanDerWaalsContact C-N 3.32Å; R252-I254 PolarHBondContact O-N 3.25Å; R252-L255 PolarHBondContact O-N 3.03Å; R252-D256 IonicContact NE-OD2 3.68Å; R252-D256 WeakPolarHBondContact O-CB 3.44Å; R252-D256 PolarHBondContact O-N 2.93Å
253L88.5Confident79.9Confident111 Ų111119.8 Ų119.858%0.58160%0.595SS**Hα-helixtrans-64-38.4178.2-69.7171.8000111.9E249 A250 D256 M257E249-L253 WeakPolarHBondContact O-CG 3.28Å; E249-L253 PolarHBondContact O-N 2.94Å; A250-L253 PolarHBondContact O-N 2.96Å; A250-L253 VanDerWaalsContact O-N 3.16Å; L253-D256 PolarHBondContact O-N 3.48Å; L253-M257 WeakPolarHBondContact O-CG 3.44Å; L253-M257 PolarHBondContact O-N 2.92Å
254I88.5Confident77.7Confident85 Ų85123 Ų12344%0.43661%0.608SS.*Hα-helixtrans-63.6-43.1175-68.5166.4000110.7A250 D251 R252 M257 N258A250-I254 WeakPolarHBondContact O-CG1 3.32Å; A250-I254 PolarHBondContact O-N 2.94Å; D251-I254 PolarHBondContact O-N 2.82Å; R252-I254 VanDerWaalsContact C-N 3.32Å; R252-I254 PolarHBondContact O-N 3.25Å; I254-M257 PolarHBondContact O-N 2.97Å; I254-N258 WeakPolarHBondContact O-CB 3.34Å; I254-N258 PolarHBondContact O-N 3.18Å
255L84.4Confident75.6Confident120 Ų120123.7 Ų123.763%0.62862%0.621SS**Hα-helixtrans-63.7-44.6175.7-72.7170.8000111.7D251 R252 M257 N258 V259D251-L255 WeakPolarHBondContact O-CG 3.08Å; D251-L255 PolarHBondContact O-N 3.1Å; R252-L255 PolarHBondContact O-N 3.03Å; L255-M257 VanDerWaalsContact C-N 3.28Å; L255-M257 PolarHBondContact O-N 3.44Å; L255-N258 CarbonylContact O-C 3.19Å; L255-N258 PolarHBondContact O-N 3.05Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 2.69Å
256D81.8Confident73.4Confident88 Ų88125.7 Ų125.747%0.47164%0.637SS.*Hα-helixtrans-61.9-34.9177.7-73.2-16.7000111.6R252 L253R252-D256 IonicContact NE-OD2 3.68Å; R252-D256 WeakPolarHBondContact O-CB 3.44Å; R252-D256 PolarHBondContact O-N 2.93Å; L253-D256 PolarHBondContact O-N 3.48Å
257M75.4Confident71Confident149 Ų149130.9 Ų130.973%0.73467%0.672SS**Hα-helixtrans-73.3-26.8172.7-70.9-161.5-53.500113.9L253 I254 L255L253-M257 WeakPolarHBondContact O-CG 3.44Å; L253-M257 PolarHBondContact O-N 2.92Å; I254-M257 PolarHBondContact O-N 2.97Å; L255-M257 VanDerWaalsContact C-N 3.28Å; L255-M257 PolarHBondContact O-N 3.44Å
258N64.8Low69.9Low126 Ų126132.8 Ų132.867%0.67468%0.681SS**Hα-helixtrans-91-1.9179.2-84.3-19.9000113.9I254 L255I254-N258 WeakPolarHBondContact O-CB 3.34Å; I254-N258 PolarHBondContact O-N 3.18Å; L255-N258 CarbonylContact O-C 3.19Å; L255-N258 PolarHBondContact O-N 3.05Å
259V57.8Low68.7Low100 Ų100133.3 Ų133.361%0.60668%0.683SS**SBendtrans-65.2117.9165-179.80000107.6L255 V261L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 2.69Å; V259-V261 PolarHBondContact O-N 2.72Å
260P54.4Low67.3Low86 Ų86135.4 Ų135.456%0.55870%0.697SS**  trans-65.6135.8-159.222.5-32.2000112.3R262P260-R262 HydrophobicContact CB-CB 4.04Å; P260-R262 HydrophobicContact CB-CG 3.9Å; P260-R262 HydrophobicContact CG-CB 4.36Å; P260-R262 HydrophobicContact CG-CG 4.45Å; P260-R262 PolarHBondContact O-N 2.71Å
261V53.2Low65.8Low125 Ų125140.8 Ų140.876%0.75872%0.716SS**  trans-6152.2155.6-171.40000109.8V259 R263V259-V261 PolarHBondContact O-N 2.72Å; V261-R263 VanDerWaalsContact C-N 3.34Å
262R47.7Very low64.2Low224 Ų224143.7 Ų143.785%0.84573%0.729SS**  trans-96.720175.2-90.7-175.4-177.8-158.62.5112.1P260P260-R262 HydrophobicContact CB-CB 4.04Å; P260-R262 HydrophobicContact CB-CG 3.9Å; P260-R262 HydrophobicContact CG-CB 4.36Å; P260-R262 HydrophobicContact CG-CG 4.45Å; P260-R262 PolarHBondContact O-N 2.71Å
263R49.1Very low62.4Low239 Ų239142 Ų14290%0.90274%0.735SS**SBendtrans-128.319.2-179.9-125.8-176.7-156.8-174.56.2115.3V261V261-R263 VanDerWaalsContact C-N 3.34Å
264L49.3Very low60.5Low147 Ų147144.2 Ų144.277%0.7775%0.746SS**SBendtrans-138.147.2177.1-74.8167.8000112.1
265V49.8Very low58.3Low138 Ų138148.8 Ų148.884%0.83677%0.77SS**SBendtrans-144.360.2156.8-167.50000108.7
266L46.5Very low56.2Low174 Ų174151.2 Ų151.291%0.91178%0.782SS**  trans-154.775.9164-87.3176.8000107.2
267V44.1Very low53.8Low218 Ų218156.9 Ų156.9100%1.32181%0.81SS**  trans-135.70153.7-1780000106.5

Retrieved 267 of 267 residues in 338.3 ms (Link to these results)

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