B1WC51_RAT Loading...

Cyclin-dependent kinases regulatory subunit

Binds to the catalytic subunit of the cyclin dependent kinases and is essential for their biological function.

AlphaFold DB , UniProt , Accession B1WC51, Species RAT (Rattus norvegicus, Rat), Gene Cks2, Length 79 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
1M40Very low79.6Confident228 Ų228113.4 Ų113.4100%1.12356%0.558SS**  0112.70-62-175.5-170.800106.3H3M1-H3 PolarHBondContact O-N 3.05Å
2A47Very low81.1Confident101 Ų101111.9 Ų111.984%0.83554%0.543SS*.  trans-56.6117.1178.400000107.7K4A2-K4 PolarHBondContact O-N 3.04Å
3H52.4Low82.4Confident174 Ų174112.6 Ų112.681%0.80654%0.542SS*.  trans-53.7118.9-177.6-74.7-95000107.8M1 Q5M1-H3 PolarHBondContact O-N 3.05Å; H3-Q5 PolarHBondContact O-N 2.74Å
4K66.4Low83.4Confident146 Ų146109.5 Ų109.564%0.63553%0.53SS*.  trans-70.262.8179.7-61-173-171.7-156.30109.4A2 P25 E27A2-K4 PolarHBondContact O-N 3.04Å; K4-P25 HydrophobicContact CB-CB 4.37Å; K4-P25 HydrophobicContact CB-CG 4.22Å; K4-E27 VanDerWaalsContact CE-OE1 3.3Å; K4-E27 WeakPolarHBondContact CE-OE1 3.3Å; K4-E27 IonicContact NZ-OE1 3.02Å; K4-E27 PolarHBondContact NZ-OE1 3.27Å
5Q86.5Confident84.2Confident158 Ų158110.1 Ų110.174%0.73853%0.532SS*.PPolyproline II helixtrans-93.9128.4-174.2-166.4165.7-3.300108.6H3 Y7H3-Q5 PolarHBondContact O-N 2.74Å; Q5-Y7 PolarHBondContact O-N 2.73Å
6I95.8Very high85Confident19 Ų19109.1 Ų109.110%0.09753%0.526CS..PPolyproline II helixtrans-63.8126.5167.8-69.2164.3000107.5Y8 V22 L24 L28 G47 V48I6-Y8 HydrophobicContact CB-CE2 4.15Å; I6-Y8 HydrophobicContact CG2-CD2 4.36Å; I6-Y8 HydrophobicContact CG2-CE1 4.24Å; I6-Y8 HydrophobicContact CG2-CE2 3.69Å; I6-Y8 WeakPolarHBondContact O-CD2 3.33Å; I6-Y8 WeakPolarHBondContact O-CE2 3.45Å; I6-V22 HydrophobicContact CG2-CG1 3.18Å; I6-L24 HydrophobicContact CD1-CD2 4.27Å; I6-L24 HydrophobicContact CG1-CD2 4.1Å; I6-L24 HydrophobicContact CG2-CD2 4.43Å; I6-L28 HydrophobicContact CD1-CD1 4.04Å; I6-L28 HydrophobicContact CG1-CD1 4.19Å; I6-G47 VanDerWaalsContact CD1-C 3.49Å; I6-G47 WeakPolarHBondContact CD1-O 3.42Å; I6-V48 HydrophobicContact CD1-CG2 4.28Å
7Y96.9Very high85.7Confident129 Ų129106.9 Ų106.951%0.50651%0.511SS..EExtended strand (participates in β ladder)trans-93140.3177171.5-92.1000110.2Q5 V22 M23Q5-Y7 PolarHBondContact O-N 2.73Å; Y7-V22 CarbonylContact O-C 3.58Å; Y7-V22 VanDerWaalsContact O-CA 3.3Å; Y7-V22 WeakPolarHBondContact O-CA 3.45Å; Y7-M23 HydrophobicContact CD1-CB 4.29Å; Y7-M23 HydrophobicContact CD1-CG 3.93Å; Y7-M23 HydrophobicContact CD1-SD 3.71Å; Y7-M23 HydrophobicContact CE1-SD 4.17Å; Y7-M23 PolarHBondContact N-O 3.02Å; Y7-M23 PolarHBondContact O-N 3.25Å
8Y97.6Very high86.4Confident69 Ų69101.7 Ų101.727%0.27149%0.486SS..EExtended strand (participates in β ladder)trans-120.3125.1178.2-59.4-97.6000108.1I6 V22 V48 Q49 Q50I6-Y8 HydrophobicContact CB-CE2 4.15Å; I6-Y8 HydrophobicContact CG2-CD2 4.36Å; I6-Y8 HydrophobicContact CG2-CE1 4.24Å; I6-Y8 HydrophobicContact CG2-CE2 3.69Å; I6-Y8 WeakPolarHBondContact O-CD2 3.33Å; I6-Y8 WeakPolarHBondContact O-CE2 3.45Å; Y8-V22 HydrophobicContact CD1-CG1 4.35Å; Y8-V22 HydrophobicContact CD1-CG2 3.62Å; Y8-V22 HydrophobicContact CE1-CG1 4.19Å; Y8-V22 HydrophobicContact CE1-CG2 3.94Å; Y8-V48 HydrophobicContact CE1-CG1 4.14Å; Y8-Q49 VanDerWaalsContact CE1-O 3.28Å; Y8-Q49 WeakPolarHBondContact CE1-O 3.29Å; Y8-Q49 PolarHBondContact OH-N 3.09Å; Y8-Q50 HydrophobicContact CE1-CG 4.11Å
9S97.6Very high87Confident8 Ų897.8 Ų97.86%0.05647%0.466CS..PPolyproline II helixtrans-69.1162.5175.880.30000112.2R20 H21S9-R20 WeakPolarHBondContact OG-CA 3.48Å; S9-H21 WeakPolarHBondContact CB-CE1 3.47Å; S9-H21 WeakPolarHBondContact CB-ND1 3.43Å; S9-H21 VanDerWaalsContact CB-NE2 3.3Å; S9-H21 WeakPolarHBondContact CB-NE2 3.3Å; S9-H21 WeakPolarHBondContact CB-O 3.28Å; S9-H21 PolarHBondContact N-O 3Å; S9-H21 PolarHBondContact OG-N 2.97Å; S9-H21 PolarHBondContact OG-ND1 3.2Å; S9-H21 PolarHBondContact OG-O 3.05Å
10D97.8Very high87.6Confident140 Ų14095.1 Ų95.175%0.74945%0.451SS*.PPolyproline II helixtrans-56.6153.6158.8-68-38.7000110.6
11K97.7Very high88.1Confident75 Ų7593.2 Ų93.233%0.32644%0.442SS..PPolyproline II helixtrans-79.2142.9176.3-61.9-177.2178.2-1640110.2F13 E18 Y19 R20 W54K11-F13 HydrophobicContact CB-CE1 4.34Å; K11-F13 HydrophobicContact CB-CE2 3.99Å; K11-F13 HydrophobicContact CB-CZ 3.66Å; K11-F13 HydrophobicContact CD-CZ 4.18Å; K11-E18 WeakPolarHBondContact CD-OE2 3.38Å; K11-E18 IonicContact NZ-OE1 3.18Å; K11-E18 PolarHBondContact NZ-OE1 3.11Å; K11-E18 IonicContact NZ-OE2 2.81Å; K11-E18 PolarHBondContact NZ-OE2 3.4Å; K11-Y19 VanDerWaalsContact CA-O 3.25Å; K11-Y19 WeakPolarHBondContact CA-O 3.47Å; K11-R20 VanDerWaalsContact CE-NH2 3.34Å; K11-W54 HydrophobicContact CD-CZ2 4.43Å
12Y98.1Very high90.9Very high96 Ų9682.4 Ų82.438%0.37639%0.389SS..EExtended strand (participates in β ladder)trans-130.2160.1170.251.7-81.8000109.1E18 Y19Y12-E18 CarbonylContact O-C 3.58Å; Y12-Y19 VanDerWaalsContact CD2-CB 3.48Å; Y12-Y19 HydrophobicContact CD2-CD2 4.05Å; Y12-Y19 HydrophobicContact CD2-CG 4.02Å; Y12-Y19 HydrophobicContact CE2-CD1 4.4Å; Y12-Y19 HydrophobicContact CE2-CD2 4.12Å; Y12-Y19 AromaticContact CE2-CG 3.68Å; Y12-Y19 HydrophobicContact CE2-CG 3.68Å; Y12-Y19 PolarHBondContact N-O 3.02Å; Y12-Y19 VanDerWaalsContact N-O 3.07Å; Y12-Y19 PolarHBondContact O-N 2.92Å
13F97.3Very high93.3Very high121 Ų12180.6 Ų80.653%0.53136%0.364SS..EExtended strand (participates in β ladder)trans-138.5145.5-162.9-52.2-90.5000110.7K11 Y17 E18 L73K11-F13 HydrophobicContact CB-CE1 4.34Å; K11-F13 HydrophobicContact CB-CE2 3.99Å; K11-F13 HydrophobicContact CB-CZ 3.66Å; K11-F13 HydrophobicContact CD-CZ 4.18Å; F13-Y17 WeakPolarHBondContact CA-O 3.5Å; F13-E18 HydrophobicContact CD1-CB 3.37Å; F13-E18 HydrophobicContact CE1-CB 3.37Å; F13-E18 HydrophobicContact CE1-CG 4.49Å; F13-L73 HydrophobicContact CD1-CD2 3.92Å; F13-L73 HydrophobicContact CE1-CD2 4.4Å
14D96.1Very high95.3Very high69 Ų6972.7 Ų72.737%0.36933%0.327SS..  trans-115.5-163.3158.769.720.1000109.8H16 Y17 Y19 L73D14-H16 VanDerWaalsContact C-N 3.25Å; D14-H16 PolarHBondContact O-N 3.29Å; D14-H16 WeakPolarHBondContact OD1-CA 3.46Å; D14-H16 PolarHBondContact OD1-N 3.35Å; D14-Y17 PolarHBondContact N-O 2.95Å; D14-Y17 PolarHBondContact OD1-N 3.32Å; D14-Y19 HydrophobicContact CB-CE2 4.11Å; D14-Y19 VanDerWaalsContact CG-CE2 3.5Å; D14-Y19 VanDerWaalsContact OD2-CE2 3.26Å; D14-Y19 WeakPolarHBondContact OD2-CE2 3.33Å; D14-Y19 VanDerWaalsContact OD2-CZ 3.29Å; D14-Y19 PolarHBondContact OD2-OH 2.8Å; D14-L73 VanDerWaalsContact O-CD1 3.32Å; D14-L73 WeakPolarHBondContact O-CD1 3.46Å
15E96Very high96.7Very high119 Ų11966.6 Ų66.656%0.55630%0.303SS*.SBendtrans-68-20.1-179.7-64.8177.4164.600114.1Q78E15-Q78 WeakPolarHBondContact O-CA 3.49Å
16H96.3Very high96.8Very high94 Ų9468.9 Ų68.944%0.43531%0.305SS..SBendtrans-122.5-28.8-169.2-60.588.6000113.5D14 P72 L73D14-H16 VanDerWaalsContact C-N 3.25Å; D14-H16 PolarHBondContact O-N 3.29Å; D14-H16 WeakPolarHBondContact OD1-CA 3.46Å; D14-H16 PolarHBondContact OD1-N 3.35Å; H16-P72 WeakPolarHBondContact O-CA 3.26Å; H16-L73 PolarHBondContact O-N 2.54Å
17Y97.9Very high96.6Very high71 Ų7172.5 Ų72.528%0.27832%0.321SS..EExtended strand (participates in β ladder)trans-134.1146.8-170.3-61.5-85.4000112.5F13 D14 R70 R71 P72F13-Y17 WeakPolarHBondContact CA-O 3.5Å; D14-Y17 PolarHBondContact N-O 2.95Å; D14-Y17 PolarHBondContact OD1-N 3.32Å; Y17-R70 HydrophobicContact CD1-CB 4.25Å; Y17-R70 HydrophobicContact CD1-CG 3.97Å; Y17-R70 HydrophobicContact CE1-CG 4.37Å; Y17-R71 CarbonylContact C-O 3.16Å; Y17-R71 WeakPolarHBondContact CA-O 3.32Å; Y17-P72 HydrophobicContact CD1-CG 4.35Å; Y17-P72 HydrophobicContact CE1-CG 4.11Å
18E98Very high96.4Very high14 Ų1468.4 Ų68.47%0.06531%0.308CS..EExtended strand (participates in β ladder)trans-93.4145.2155.164.5168.6-162.900110.1K11 Y12 F13 W54 R70 R71 L73K11-E18 WeakPolarHBondContact CD-OE2 3.38Å; K11-E18 IonicContact NZ-OE1 3.18Å; K11-E18 PolarHBondContact NZ-OE1 3.11Å; K11-E18 IonicContact NZ-OE2 2.81Å; K11-E18 PolarHBondContact NZ-OE2 3.4Å; Y12-E18 CarbonylContact O-C 3.58Å; F13-E18 HydrophobicContact CD1-CB 3.37Å; F13-E18 HydrophobicContact CE1-CB 3.37Å; F13-E18 HydrophobicContact CE1-CG 4.49Å; E18-W54 HydrophobicContact CB-CH2 4.4Å; E18-W54 HydrophobicContact CG-CH2 3.8Å; E18-W54 HydrophobicContact CG-CZ2 4.24Å; E18-W54 HydrophobicContact CG-CZ3 4.33Å; E18-W54 WeakPolarHBondContact O-CZ3 3.35Å; E18-W54 VanDerWaalsContact OE1-CZ2 3.32Å; E18-W54 WeakPolarHBondContact OE1-CZ2 3.48Å; E18-R70 CarbonylContact O-C 3.58Å; E18-R70 VanDerWaalsContact O-CA 3.23Å; E18-R70 WeakPolarHBondContact O-CA 3.31Å; E18-R71 HydrophobicContact CG-CB 3.95Å; E18-R71 WeakPolarHBondContact CG-O 3.27Å; E18-R71 PolarHBondContact N-O 3.02Å; E18-R71 PolarHBondContact O-N 3.09Å; E18-R71 IonicContact OE1-CZ 2.82Å; E18-R71 IonicContact OE1-NE 2.71Å; E18-R71 PolarHBondContact OE1-NE 2.79Å; E18-R71 IonicContact OE1-NH2 3.6Å; E18-R71 PolarHBondContact OE1-NH2 3.36Å; E18-R71 IonicContact OE2-NH2 3.88Å; E18-L73 HydrophobicContact CB-CD2 4.18Å
19Y98.5Very high96.1Very high27 Ų2766.2 Ų66.211%0.10630%0.302CS..EExtended strand (participates in β ladder)trans-127.7155-175-60.7-89.2000110.7K11 Y12 D14 Y57 F69 R70K11-Y19 VanDerWaalsContact CA-O 3.25Å; K11-Y19 WeakPolarHBondContact CA-O 3.47Å; Y12-Y19 VanDerWaalsContact CD2-CB 3.48Å; Y12-Y19 HydrophobicContact CD2-CD2 4.05Å; Y12-Y19 HydrophobicContact CD2-CG 4.02Å; Y12-Y19 HydrophobicContact CE2-CD1 4.4Å; Y12-Y19 HydrophobicContact CE2-CD2 4.12Å; Y12-Y19 AromaticContact CE2-CG 3.68Å; Y12-Y19 HydrophobicContact CE2-CG 3.68Å; Y12-Y19 PolarHBondContact N-O 3.02Å; Y12-Y19 VanDerWaalsContact N-O 3.07Å; Y12-Y19 PolarHBondContact O-N 2.92Å; D14-Y19 HydrophobicContact CB-CE2 4.11Å; D14-Y19 VanDerWaalsContact CG-CE2 3.5Å; D14-Y19 VanDerWaalsContact OD2-CE2 3.26Å; D14-Y19 WeakPolarHBondContact OD2-CE2 3.33Å; D14-Y19 VanDerWaalsContact OD2-CZ 3.29Å; D14-Y19 PolarHBondContact OD2-OH 2.8Å; Y19-Y57 AromaticContact CD1-CE1 3.87Å; Y19-Y57 HydrophobicContact CD1-CE1 3.87Å; Y19-Y57 AromaticContact CD1-CZ 3.94Å; Y19-Y57 HydrophobicContact CE1-CE1 4.21Å; Y19-Y57 HydrophobicContact CE1-CE2 4.37Å; Y19-Y57 AromaticContact CE1-CZ 3.98Å; Y19-F69 WeakPolarHBondContact CA-O 3.46Å; Y19-R70 HydrophobicContact CD1-CB 3.57Å; Y19-R70 HydrophobicContact CE1-CB 3.6Å; Y19-R70 HydrophobicContact CG-CB 4.45Å
20R98.4Very high95.8Very high43 Ų4374.3 Ų74.316%0.16234%0.336CS..EExtended strand (participates in β ladder)trans-156.3157.4162.562.6178.430.7167.9-9.1109.6S9 K11 W54 F69S9-R20 WeakPolarHBondContact OG-CA 3.48Å; K11-R20 VanDerWaalsContact CE-NH2 3.34Å; R20-W54 HydrophobicContact CB-CH2 4.16Å; R20-W54 HydrophobicContact CB-CZ3 4.44Å; R20-W54 HydrophobicContact CG-CD2 4.48Å; R20-W54 HydrophobicContact CG-CE3 4.15Å; R20-W54 HydrophobicContact CG-CH2 3.64Å; R20-W54 HydrophobicContact CG-CZ2 4.02Å; R20-W54 HydrophobicContact CG-CZ3 3.71Å; R20-F69 HydrophobicContact CG-CB 4.2Å; R20-F69 PolarHBondContact N-O 3.37Å; R20-F69 VanDerWaalsContact N-O 3.09Å; R20-F69 PolarHBondContact O-N 2.83Å
21H98.4Very high95.6Very high57 Ų5773.3 Ų73.326%0.26433%0.327SS..EExtended strand (participates in β ladder)trans-111.2147.416860.9-95.1000110.6S9 I66 L67 L68S9-H21 WeakPolarHBondContact CB-CE1 3.47Å; S9-H21 WeakPolarHBondContact CB-ND1 3.43Å; S9-H21 VanDerWaalsContact CB-NE2 3.3Å; S9-H21 WeakPolarHBondContact CB-NE2 3.3Å; S9-H21 WeakPolarHBondContact CB-O 3.28Å; S9-H21 PolarHBondContact N-O 3Å; S9-H21 PolarHBondContact OG-N 2.97Å; S9-H21 PolarHBondContact OG-ND1 3.2Å; S9-H21 PolarHBondContact OG-O 3.05Å; H21-I66 HydrophobicContact CB-CG2 3.89Å; H21-L67 CarbonylContact C-O 3.46Å; H21-L67 VanDerWaalsContact CA-O 3.28Å; H21-L67 WeakPolarHBondContact CA-O 3.44Å; H21-L68 HydrophobicContact CB-CD2 3.82Å
22V97.9Very high95.5Very high0 Ų070.6 Ų70.60%032%0.317CS..EExtended strand (participates in β ladder)trans-119.7125178176.70000108.3I6 Y7 Y8 L24 V48 I66 L67 F69I6-V22 HydrophobicContact CG2-CG1 3.18Å; Y7-V22 CarbonylContact O-C 3.58Å; Y7-V22 VanDerWaalsContact O-CA 3.3Å; Y7-V22 WeakPolarHBondContact O-CA 3.45Å; Y8-V22 HydrophobicContact CD1-CG1 4.35Å; Y8-V22 HydrophobicContact CD1-CG2 3.62Å; Y8-V22 HydrophobicContact CE1-CG1 4.19Å; Y8-V22 HydrophobicContact CE1-CG2 3.94Å; V22-L24 HydrophobicContact CG1-CD2 4.42Å; V22-V48 HydrophobicContact CG1-CG1 4.14Å; V22-V48 HydrophobicContact CG1-CG2 4.08Å; V22-V48 HydrophobicContact CG2-CG1 4.25Å; V22-I66 WeakPolarHBondContact O-CA 3.27Å; V22-L67 HydrophobicContact CB-CB 4.34Å; V22-L67 PolarHBondContact N-O 2.88Å; V22-L67 PolarHBondContact O-N 2.89Å; V22-F69 HydrophobicContact CB-CD2 4.28Å; V22-F69 HydrophobicContact CB-CE2 3.88Å; V22-F69 HydrophobicContact CG2-CD2 3.72Å; V22-F69 HydrophobicContact CG2-CE2 3.62Å
23M97.2Very high95.3Very high63 Ų6367.4 Ų67.431%0.3131%0.308SS..EExtended strand (participates in β ladder)trans-100.5119.9178.4-53.2175.369.700109.7Y7 H65 I66Y7-M23 HydrophobicContact CD1-CB 4.29Å; Y7-M23 HydrophobicContact CD1-CG 3.93Å; Y7-M23 HydrophobicContact CD1-SD 3.71Å; Y7-M23 HydrophobicContact CE1-SD 4.17Å; Y7-M23 PolarHBondContact N-O 3.02Å; Y7-M23 PolarHBondContact O-N 3.25Å; M23-H65 WeakPolarHBondContact CA-O 3.48Å; M23-I66 HydrophobicContact CG-CG1 4.3Å
24L96Very high95.1Very high8 Ų870.3 Ų70.34%0.04232%0.32CS..PPolyproline II helixtrans-84.6143178.2-60-179000111I6 V22 L28 V32 L46 V48 H65 L67I6-L24 HydrophobicContact CD1-CD2 4.27Å; I6-L24 HydrophobicContact CG1-CD2 4.1Å; I6-L24 HydrophobicContact CG2-CD2 4.43Å; V22-L24 HydrophobicContact CG1-CD2 4.42Å; L24-L28 HydrophobicContact CB-CB 4.22Å; L24-L28 HydrophobicContact CD1-CB 4.46Å; L24-V32 HydrophobicContact CD1-CG2 3.36Å; L24-L46 HydrophobicContact CD1-CD1 4.19Å; L24-V48 HydrophobicContact CD2-CG2 3.76Å; L24-H65 PolarHBondContact N-O 3.24Å; L24-L67 HydrophobicContact CD1-CD1 4.02Å; L24-L67 HydrophobicContact CD1-CD2 4.31Å; L24-L67 HydrophobicContact CD1-CG 4.1Å; L24-L67 HydrophobicContact CD2-CD1 4.15Å; L24-L67 HydrophobicContact CG-CD1 4.19Å; L24-L67 HydrophobicContact CG-CG 4.22Å
25P94.7Very high95Very high18 Ų1873.1 Ų73.112%0.11734%0.341CS..PPolyproline II helixtrans-51.9147.8160.3-23.832.3000111.4K4 E27 L28 S29K4-P25 HydrophobicContact CB-CB 4.37Å; K4-P25 HydrophobicContact CB-CG 4.22Å; P25-E27 PolarHBondContact O-N 3.45Å; P25-L28 HydrophobicContact CG-CD1 4.35Å; P25-L28 PolarHBondContact O-N 2.95Å; P25-S29 PolarHBondContact O-N 2.89Å; P25-S29 VanDerWaalsContact O-N 3.09Å
26R89.1Confident95Very high207 Ų20771.2 Ų71.278%0.78133%0.331SS*.Hα-helixtrans-55-28.3-176.5-173.3178.1-180-164.40.9113.6S29R26-S29 PolarHBondContact O-OG 3.27Å
27E90.9Very high95.1Very high94 Ų9470.5 Ų70.544%0.43933%0.33SS..Hα-helixtrans-75.7-31.8178.3-58.292.4149.200112.9K4 P25K4-E27 VanDerWaalsContact CE-OE1 3.3Å; K4-E27 WeakPolarHBondContact CE-OE1 3.3Å; K4-E27 IonicContact NZ-OE1 3.02Å; K4-E27 PolarHBondContact NZ-OE1 3.27Å; P25-E27 PolarHBondContact O-N 3.45Å
28L92.6Very high95.1Very high44 Ų4467.5 Ų67.523%0.2332%0.319CS..Hα-helixtrans-82.4-30.4177.7-66.2-176.8000111.8I6 L24 P25 K30 Q31 L46I6-L28 HydrophobicContact CD1-CD1 4.04Å; I6-L28 HydrophobicContact CG1-CD1 4.19Å; L24-L28 HydrophobicContact CB-CB 4.22Å; L24-L28 HydrophobicContact CD1-CB 4.46Å; P25-L28 HydrophobicContact CG-CD1 4.35Å; P25-L28 PolarHBondContact O-N 2.95Å; L28-K30 PolarHBondContact O-N 2.87Å; L28-K30 VanDerWaalsContact O-N 3.11Å; L28-Q31 WeakPolarHBondContact O-CB 3.3Å; L28-Q31 PolarHBondContact O-N 3.38Å; L28-L46 WeakPolarHBondContact CD1-O 3.22Å
29S91.5Very high95.1Very high22 Ų2269 Ų6915%0.15433%0.331CS..Hα-helixtrans-60.4-24.9179.968.20000113.8P25 R26 Q31 V32P25-S29 PolarHBondContact O-N 2.89Å; P25-S29 VanDerWaalsContact O-N 3.09Å; R26-S29 PolarHBondContact O-OG 3.27Å; S29-Q31 PolarHBondContact O-N 2.84Å; S29-V32 WeakPolarHBondContact O-CB 3.44Å; S29-V32 PolarHBondContact O-N 2.88Å
30K92Very high95.1Very high178 Ų17870.8 Ų70.877%0.77434%0.34SS*.THydrogen-bonded Turntrans-67.1-20.1174.8-64.5-177.3-178.2-1790113.9L28L28-K30 PolarHBondContact O-N 2.87Å; L28-K30 VanDerWaalsContact O-N 3.11Å
31Q93.3Very high95Very high119 Ų11974.3 Ų74.356%0.55636%0.359SS*.THydrogen-bonded Turntrans-91.9-4.9-180-61.9176.861.200112.3L28 S29 P33 L46L28-Q31 WeakPolarHBondContact O-CB 3.3Å; L28-Q31 PolarHBondContact O-N 3.38Å; S29-Q31 PolarHBondContact O-N 2.84Å; Q31-P33 WeakPolarHBondContact O-CD 3.2Å; Q31-L46 HydrophobicContact CB-CD2 3.45Å; Q31-L46 VanDerWaalsContact CB-CD2 3.45Å; Q31-L46 HydrophobicContact CG-CD2 4.41Å
32V94.6Very high95Very high19 Ų1973.9 Ų73.912%0.11536%0.357CS..SBendtrans-72124.2177.7-179.80000109.5L24 S29 M38 L46 L67L24-V32 HydrophobicContact CD1-CG2 3.36Å; S29-V32 WeakPolarHBondContact O-CB 3.44Å; S29-V32 PolarHBondContact O-N 2.88Å; V32-M38 HydrophobicContact CG1-CE 4.15Å; V32-L46 HydrophobicContact CG2-CD1 4.1Å; V32-L67 HydrophobicContact CG1-CD2 3.9Å; V32-L67 HydrophobicContact CG2-CD2 3.99Å
33P94.8Very high95Very high29 Ų2974 Ų7419%0.18836%0.357CS..  trans-62.9138.9175.2-20.332.1000111.9Q31 H36 M38Q31-P33 WeakPolarHBondContact O-CD 3.2Å; P33-H36 WeakPolarHBondContact CB-CE1 3.45Å; P33-M38 HydrophobicContact CG-CG 3.87Å; P33-M38 HydrophobicContact CG-SD 4.49Å
34K92.5Very high95Very high181 Ų18175 Ų7579%0.78736%0.358SS*.SBendtrans-96.5-11.4174.4-61-175.1179.7-175.30113.5
35T93.6Very high95Very high129 Ų12983.1 Ų83.179%0.79139%0.388SS*.SBendtrans-100.3-16.2-170.353.90000113.5
36H96.8Very high95Very high78 Ų7883 Ų8336%0.36139%0.386SS..SBendtrans-157.5161.3-176.363.1-78.7000111P33 E42P33-H36 WeakPolarHBondContact CB-CE1 3.45Å; H36-E42 IonicContact NE2-OE1 3.93Å; H36-E42 PolarHBondContact NE2-OE1 3.13Å; H36-E42 IonicContact NE2-OE2 2.63Å
37L98Very high95.3Very high79 Ų7974.8 Ų74.841%0.41437%0.366SS..PPolyproline II helixtrans-75.7131.4170.1-65.7170.1000109.7I59L37-I59 HydrophobicContact CD2-CG1 3.82Å
38M98.1Very high95.5Very high9 Ų970.3 Ų70.34%0.04435%0.345CS..PPolyproline II helixtrans-60.4133.4176-70-176.3-70.900113.8V32 P33 E42 W43 L46 H56 L67V32-M38 HydrophobicContact CG1-CE 4.15Å; P33-M38 HydrophobicContact CG-CG 3.87Å; P33-M38 HydrophobicContact CG-SD 4.49Å; M38-E42 WeakPolarHBondContact CA-OE2 3.41Å; M38-E42 HydrophobicContact CB-CB 3.82Å; M38-E42 HydrophobicContact CG-CB 3.99Å; M38-E42 HydrophobicContact SD-CB 4.42Å; M38-W43 HydrophobicContact CB-CB 4.33Å; M38-W43 HydrophobicContact CE-CB 4.14Å; M38-W43 HydrophobicContact SD-CB 4.19Å; M38-L46 HydrophobicContact CE-CD1 4.04Å; M38-L46 HydrophobicContact SD-CD1 3.5Å; M38-L46 VanDerWaalsContact SD-CD1 3.5Å; M38-L46 HydrophobicContact SD-CG 4.48Å; M38-H56 PolarHBondContact N-ND1 2.92Å; M38-H56 VanDerWaalsContact N-ND1 3.11Å; M38-L67 HydrophobicContact CE-CD1 3.51Å; M38-L67 HydrophobicContact CE-CD2 3.34Å; M38-L67 HydrophobicContact CE-CG 4.02Å
39S97.8Very high95.7Very high46 Ų4675.6 Ų75.632%0.32237%0.369SS..PPolyproline II helixtrans-64.3165.5162.858.10000112.5E41 E42 W43S39-E41 VanDerWaalsContact C-N 3.25Å; S39-E41 PolarHBondContact O-N 3.42Å; S39-E42 WeakPolarHBondContact CB-OE2 3.2Å; S39-E42 PolarHBondContact N-OE2 3.22Å; S39-E42 PolarHBondContact O-N 3.38Å; S39-E42 VanDerWaalsContact O-N 3.11Å; S39-E42 VanDerWaalsContact OG-CD 3.27Å; S39-E42 VanDerWaalsContact OG-CG 3.22Å; S39-E42 WeakPolarHBondContact OG-CG 3.22Å; S39-E42 PolarHBondContact OG-N 3.11Å; S39-E42 PolarHBondContact OG-OE2 3.1Å; S39-W43 PolarHBondContact O-N 3.22Å; S39-W43 PolarHBondContact O-NE1 3.19Å
40E98Very high96Very high63 Ų6375.5 Ų75.529%0.29437%0.366SS..Hα-helixtrans-54.9-43175.4178.3154.5173.600112.4E42 W43 R44E40-E42 VanDerWaalsContact C-N 3.33Å; E40-E42 PolarHBondContact O-N 3.34Å; E40-W43 VanDerWaalsContact CA-NE1 3.31Å; E40-W43 HydrophobicContact CB-CZ2 3.98Å; E40-W43 HydrophobicContact CG-CH2 3.99Å; E40-W43 HydrophobicContact CG-CZ2 3.5Å; E40-R44 HydrophobicContact CG-CG 4.4Å; E40-R44 VanDerWaalsContact O-CB 3.31Å; E40-R44 WeakPolarHBondContact O-CB 3.34Å; E40-R44 WeakPolarHBondContact O-CG 3.39Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 VanDerWaalsContact O-N 3.13Å; E40-R44 IonicContact OE1-CZ 3.73Å; E40-R44 IonicContact OE1-NE 3.18Å; E40-R44 PolarHBondContact OE1-NE 3.19Å; E40-R44 IonicContact OE1-NH2 2.69Å; E40-R44 PolarHBondContact OE1-NH2 2.81Å
41E97.6Very high96.2Very high118 Ų11869.7 Ų69.755%0.55135%0.347SS*.Hα-helixtrans-63.7-38.4177.8-63.974.3-164.500112S39 R45S39-E41 VanDerWaalsContact C-N 3.25Å; S39-E41 PolarHBondContact O-N 3.42Å; E41-R45 WeakPolarHBondContact O-CB 3.25Å; E41-R45 VanDerWaalsContact O-CG 3.27Å; E41-R45 WeakPolarHBondContact O-CG 3.49Å; E41-R45 PolarHBondContact O-N 3.32Å
42E97.7Very high96.3Very high48 Ų4870.2 Ų70.222%0.22435%0.353CS..Hα-helixtrans-68.5-51.2-178-78.3168.713600113.1H36 M38 S39 E40 R44 R45 L46H36-E42 IonicContact NE2-OE1 3.93Å; H36-E42 PolarHBondContact NE2-OE1 3.13Å; H36-E42 IonicContact NE2-OE2 2.63Å; M38-E42 WeakPolarHBondContact CA-OE2 3.41Å; M38-E42 HydrophobicContact CB-CB 3.82Å; M38-E42 HydrophobicContact CG-CB 3.99Å; M38-E42 HydrophobicContact SD-CB 4.42Å; S39-E42 WeakPolarHBondContact CB-OE2 3.2Å; S39-E42 PolarHBondContact N-OE2 3.22Å; S39-E42 PolarHBondContact O-N 3.38Å; S39-E42 VanDerWaalsContact O-N 3.11Å; S39-E42 VanDerWaalsContact OG-CD 3.27Å; S39-E42 VanDerWaalsContact OG-CG 3.22Å; S39-E42 WeakPolarHBondContact OG-CG 3.22Å; S39-E42 PolarHBondContact OG-N 3.11Å; S39-E42 PolarHBondContact OG-OE2 3.1Å; E40-E42 VanDerWaalsContact C-N 3.33Å; E40-E42 PolarHBondContact O-N 3.34Å; E42-R44 VanDerWaalsContact C-N 3.31Å; E42-R44 PolarHBondContact O-N 3.45Å; E42-R45 WeakPolarHBondContact O-CB 3.28Å; E42-R45 PolarHBondContact O-N 3.31Å; E42-L46 PolarHBondContact O-N 2.79Å
43W97.6Very high96.4Very high1 Ų171 Ų710%0.00437%0.365CS..Hα-helixtrans-71.7-29.2-179.358.3-108.4000111.9M38 S39 E40 R45 L46 V48 Q50 F69M38-W43 HydrophobicContact CB-CB 4.33Å; M38-W43 HydrophobicContact CE-CB 4.14Å; M38-W43 HydrophobicContact SD-CB 4.19Å; S39-W43 PolarHBondContact O-N 3.22Å; S39-W43 PolarHBondContact O-NE1 3.19Å; E40-W43 VanDerWaalsContact CA-NE1 3.31Å; E40-W43 HydrophobicContact CB-CZ2 3.98Å; E40-W43 HydrophobicContact CG-CH2 3.99Å; E40-W43 HydrophobicContact CG-CZ2 3.5Å; W43-R45 VanDerWaalsContact C-N 3.34Å; W43-L46 WeakPolarHBondContact O-CB 3.43Å; W43-L46 PolarHBondContact O-N 3.07Å; W43-V48 HydrophobicContact CE3-CB 3.95Å; W43-V48 HydrophobicContact CE3-CG1 3.91Å; W43-V48 HydrophobicContact CZ3-CG1 4.41Å; W43-V48 WeakPolarHBondContact CZ3-O 3.32Å; W43-V48 WeakPolarHBondContact O-CB 3.25Å; W43-V48 PolarHBondContact O-N 2.95Å; W43-Q50 HydrophobicContact CH2-CB 4.41Å; W43-Q50 HydrophobicContact CZ3-CB 4.39Å; W43-Q50 HydrophobicContact CZ3-CG 4.25Å; W43-F69 HydrophobicContact CB-CE1 4.39Å; W43-F69 HydrophobicContact CB-CZ 4.11Å; W43-F69 AromaticContact CD1-CE1 3.68Å; W43-F69 AromaticContact CD2-CE1 3.95Å; W43-F69 HydrophobicContact CD2-CE1 3.95Å; W43-F69 HydrophobicContact CD2-CZ 4.22Å; W43-F69 AromaticContact CE2-CE1 3.97Å; W43-F69 AromaticContact CG-CE1 3.78Å; W43-F69 HydrophobicContact CG-CE1 3.78Å; W43-F69 AromaticContact CG-CZ 3.96Å; W43-F69 HydrophobicContact CG-CZ 3.96Å; W43-F69 AromaticContact NE1-CE1 3.73Å
44R96.9Very high96.6Very high86 Ų8669.8 Ų69.833%0.32536%0.357SS..Hα-helixtrans-64.5-38170.7-74.3-174.2-176.6-68.7-0.7111.9E40 E42 L46 G47 Q50E40-R44 HydrophobicContact CG-CG 4.4Å; E40-R44 VanDerWaalsContact O-CB 3.31Å; E40-R44 WeakPolarHBondContact O-CB 3.34Å; E40-R44 WeakPolarHBondContact O-CG 3.39Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 VanDerWaalsContact O-N 3.13Å; E40-R44 IonicContact OE1-CZ 3.73Å; E40-R44 IonicContact OE1-NE 3.18Å; E40-R44 PolarHBondContact OE1-NE 3.19Å; E40-R44 IonicContact OE1-NH2 2.69Å; E40-R44 PolarHBondContact OE1-NH2 2.81Å; E42-R44 VanDerWaalsContact C-N 3.31Å; E42-R44 PolarHBondContact O-N 3.45Å; R44-L46 VanDerWaalsContact C-N 3.26Å; R44-L46 PolarHBondContact O-N 3.2Å; R44-G47 PolarHBondContact O-N 2.77Å; R44-Q50 PolarHBondContact NH1-O 3.38Å; R44-Q50 PolarHBondContact NH2-O 2.82Å
45R96Very high96.9Very high177 Ų17764.9 Ų64.967%0.66834%0.342SS*.Hα-helixtrans-63.5-28.6174.3-79-171.4-58.8-1049.2113.3E41 E42 W43 G47E41-R45 WeakPolarHBondContact O-CB 3.25Å; E41-R45 VanDerWaalsContact O-CG 3.27Å; E41-R45 WeakPolarHBondContact O-CG 3.49Å; E41-R45 PolarHBondContact O-N 3.32Å; E42-R45 WeakPolarHBondContact O-CB 3.28Å; E42-R45 PolarHBondContact O-N 3.31Å; W43-R45 VanDerWaalsContact C-N 3.34Å; R45-G47 PolarHBondContact O-N 3.36Å
46L94.6Very high97.1Very high15 Ų1559 Ų598%0.07931%0.305CS..THydrogen-bonded Turntrans-71.4-6.7171.8-66.2-179.7000113.5L24 L28 Q31 V32 M38 E42 W43 R44L24-L46 HydrophobicContact CD1-CD1 4.19Å; L28-L46 WeakPolarHBondContact CD1-O 3.22Å; Q31-L46 HydrophobicContact CB-CD2 3.45Å; Q31-L46 VanDerWaalsContact CB-CD2 3.45Å; Q31-L46 HydrophobicContact CG-CD2 4.41Å; V32-L46 HydrophobicContact CG2-CD1 4.1Å; M38-L46 HydrophobicContact CE-CD1 4.04Å; M38-L46 HydrophobicContact SD-CD1 3.5Å; M38-L46 VanDerWaalsContact SD-CD1 3.5Å; M38-L46 HydrophobicContact SD-CG 4.48Å; E42-L46 PolarHBondContact O-N 2.79Å; W43-L46 WeakPolarHBondContact O-CB 3.43Å; W43-L46 PolarHBondContact O-N 3.07Å; R44-L46 VanDerWaalsContact C-N 3.26Å; R44-L46 PolarHBondContact O-N 3.2Å
47G95.5Very high97.2Very high35 Ų3557.8 Ų57.836%0.36130%0.298SS..THydrogen-bonded Turntrans89.97.4-176.600000113.9I6 R44 R45 Q49I6-G47 VanDerWaalsContact CD1-C 3.49Å; I6-G47 WeakPolarHBondContact CD1-O 3.42Å; R44-G47 PolarHBondContact O-N 2.77Å; R45-G47 PolarHBondContact O-N 3.36Å; G47-Q49 PolarHBondContact O-N 2.94Å
48V96.8Very high97.1Very high1 Ų158.7 Ų58.71%0.00630%0.301CS..  trans-70.7122.1172.9178.60000108.8I6 Y8 V22 L24 W43 Q50 L67 F69I6-V48 HydrophobicContact CD1-CG2 4.28Å; Y8-V48 HydrophobicContact CE1-CG1 4.14Å; V22-V48 HydrophobicContact CG1-CG1 4.14Å; V22-V48 HydrophobicContact CG1-CG2 4.08Å; V22-V48 HydrophobicContact CG2-CG1 4.25Å; L24-V48 HydrophobicContact CD2-CG2 3.76Å; W43-V48 HydrophobicContact CE3-CB 3.95Å; W43-V48 HydrophobicContact CE3-CG1 3.91Å; W43-V48 HydrophobicContact CZ3-CG1 4.41Å; W43-V48 WeakPolarHBondContact CZ3-O 3.32Å; W43-V48 WeakPolarHBondContact O-CB 3.25Å; W43-V48 PolarHBondContact O-N 2.95Å; V48-Q50 HydrophobicContact CG1-CG 3.81Å; V48-L67 HydrophobicContact CG2-CD1 3.96Å; V48-F69 HydrophobicContact CG1-CE2 4.18Å; V48-F69 HydrophobicContact CG1-CZ 4.1Å
49Q96.5Very high97Very high155 Ų15561 Ų6172%0.72431%0.314SS*.  trans-116.2113.4-175.5-69.8-178.7-30.400110Y8 G47Y8-Q49 VanDerWaalsContact CE1-O 3.28Å; Y8-Q49 WeakPolarHBondContact CE1-O 3.29Å; Y8-Q49 PolarHBondContact OH-N 3.09Å; G47-Q49 PolarHBondContact O-N 2.94Å
50Q96.6Very high96.8Very high19 Ų1961.4 Ų61.49%0.08931%0.31CS..  trans-142.4161.3-179.5-41.6-172.692.200109.6Y8 W43 R44 V48 W54 F69Y8-Q50 HydrophobicContact CE1-CG 4.11Å; W43-Q50 HydrophobicContact CH2-CB 4.41Å; W43-Q50 HydrophobicContact CZ3-CB 4.39Å; W43-Q50 HydrophobicContact CZ3-CG 4.25Å; R44-Q50 PolarHBondContact NH1-O 3.38Å; R44-Q50 PolarHBondContact NH2-O 2.82Å; V48-Q50 HydrophobicContact CG1-CG 3.81Å; Q50-W54 HydrophobicContact CB-CG 4.25Å; Q50-F69 VanDerWaalsContact NE2-CE1 3.33Å
51S96.7Very high96.5Very high56 Ų5666.5 Ų66.539%0.39233%0.334SS..  trans-59.7171.3169.358.80000111.9W54 R71S51-W54 VanDerWaalsContact O-CD1 3.3Å; S51-W54 PolarHBondContact OG-NE1 2.88Å; S51-R71 PolarHBondContact OG-NH1 2.71Å
52L96.1Very high96.3Very high130 Ų13065.9 Ų65.968%0.68134%0.34SS*.THydrogen-bonded Turntrans-66.9152.9177-62.8174.4000112.7R71L52-R71 VanDerWaalsContact O-CD 3.22Å; L52-R71 WeakPolarHBondContact O-CD 3.37Å; L52-R71 PolarHBondContact O-NH1 2.71Å
53G96.7Very high96.2Very high35 Ų3567.5 Ų67.536%0.36135%0.348SS..THydrogen-bonded Turntrans90.21.6170.400000115.9R71G53-R71 WeakPolarHBondContact O-CB 3.35Å; G53-R71 VanDerWaalsContact O-CG 3.25Å; G53-R71 WeakPolarHBondContact O-CG 3.36Å
54W98.4Very high95.9Very high4 Ų470.2 Ų70.22%0.01537%0.365CS..  trans-75.7130.1173.8-74.2104.4000111.1K11 E18 R20 Q50 S51 F69 R71K11-W54 HydrophobicContact CD-CZ2 4.43Å; E18-W54 HydrophobicContact CB-CH2 4.4Å; E18-W54 HydrophobicContact CG-CH2 3.8Å; E18-W54 HydrophobicContact CG-CZ2 4.24Å; E18-W54 HydrophobicContact CG-CZ3 4.33Å; E18-W54 WeakPolarHBondContact O-CZ3 3.35Å; E18-W54 VanDerWaalsContact OE1-CZ2 3.32Å; E18-W54 WeakPolarHBondContact OE1-CZ2 3.48Å; R20-W54 HydrophobicContact CB-CH2 4.16Å; R20-W54 HydrophobicContact CB-CZ3 4.44Å; R20-W54 HydrophobicContact CG-CD2 4.48Å; R20-W54 HydrophobicContact CG-CE3 4.15Å; R20-W54 HydrophobicContact CG-CH2 3.64Å; R20-W54 HydrophobicContact CG-CZ2 4.02Å; R20-W54 HydrophobicContact CG-CZ3 3.71Å; Q50-W54 HydrophobicContact CB-CG 4.25Å; S51-W54 VanDerWaalsContact O-CD1 3.3Å; S51-W54 PolarHBondContact OG-NE1 2.88Å; W54-F69 HydrophobicContact CB-CB 4.5Å; W54-F69 HydrophobicContact CB-CD1 4.26Å; W54-F69 HydrophobicContact CD2-CB 4.31Å; W54-F69 HydrophobicContact CE3-CB 3.59Å; W54-F69 HydrophobicContact CZ3-CB 4.18Å; W54-R71 HydrophobicContact CD2-CB 4.05Å; W54-R71 HydrophobicContact CE3-CB 3.89Å; W54-R71 HydrophobicContact CZ3-CB 4.22Å
55V98.5Very high95.8Very high78 Ų7868.7 Ų68.747%0.47336%0.362SS..EExtended strand (participates in β ladder)trans-116.4126.8179.6-179.30000109.2Y57 F69 R70V55-Y57 PolarHBondContact O-N 3.11Å; V55-F69 CarbonylContact O-C 3.54Å; V55-F69 VanDerWaalsContact O-CA 3.29Å; V55-F69 WeakPolarHBondContact O-CA 3.48Å; V55-R70 PolarHBondContact N-O 2.74Å; V55-R70 PolarHBondContact O-N 2.63Å
56H98.5Very high95.8Very high6 Ų661.1 Ų61.13%0.02834%0.335CS..EExtended strand (participates in β ladder)trans-71.1108169.5-179.8-127.7000108.5M38 M58 L68 F69M38-H56 PolarHBondContact N-ND1 2.92Å; M38-H56 VanDerWaalsContact N-ND1 3.11Å; H56-M58 PolarHBondContact NE2-O 3.18Å; H56-L68 WeakPolarHBondContact CA-O 3.23Å; H56-L68 PolarHBondContact CD2-O 2.69Å; H56-L68 VanDerWaalsContact CD2-O 3.31Å; H56-F69 HydrophobicContact CB-CD1 4.12Å; H56-F69 HydrophobicContact CB-CE1 3.84Å
57Y98.2Very high96Very high52 Ų5260.5 Ų60.520%0.20433%0.331CS..EExtended strand (participates in β ladder)trans-109-14.3-163.479.2-83.1000114.6Y19 V55 L68 R70Y19-Y57 AromaticContact CD1-CE1 3.87Å; Y19-Y57 HydrophobicContact CD1-CE1 3.87Å; Y19-Y57 AromaticContact CD1-CZ 3.94Å; Y19-Y57 HydrophobicContact CE1-CE1 4.21Å; Y19-Y57 HydrophobicContact CE1-CE2 4.37Å; Y19-Y57 AromaticContact CE1-CZ 3.98Å; V55-Y57 PolarHBondContact O-N 3.11Å; Y57-L68 HydrophobicContact CD1-CB 4.1Å; Y57-L68 VanDerWaalsContact CD1-O 3.27Å; Y57-L68 WeakPolarHBondContact CD1-O 3.49Å; Y57-L68 HydrophobicContact CE1-CB 3.57Å; Y57-L68 PolarHBondContact N-O 2.82Å; Y57-R70 HydrophobicContact CD1-CB 3.81Å; Y57-R70 HydrophobicContact CD1-CG 3.94Å; Y57-R70 HydrophobicContact CE1-CB 4.21Å; Y57-R70 HydrophobicContact CG-CB 4.25Å; Y57-R70 HydrophobicContact CG-CG 3.92Å
58M97Very high96.1Very high99 Ų9959.8 Ų59.849%0.48832%0.319SS..EExtended strand (participates in β ladder)trans-155140.3-176.6-178.4179.9-70.800110.7H56 L68H56-M58 PolarHBondContact NE2-O 3.18Å; M58-L68 HydrophobicContact CB-CB 4.34Å; M58-L68 HydrophobicContact CB-CD1 3.89Å; M58-L68 HydrophobicContact CG-CD1 3.92Å; M58-L68 HydrophobicContact SD-CD1 3.86Å
59I95.9Very high96.2Very high58 Ų5859.8 Ų59.830%0.29732%0.319SS..EExtended strand (participates in β ladder)trans-89.5124.8169.3-62.5174.7000108L37 E61L37-I59 HydrophobicContact CD2-CG1 3.82Å; I59-E61 HydrophobicContact CG2-CG 4.32Å; I59-E61 PolarHBondContact O-N 2.92Å
60H93.7Very high96.3Very high53 Ų5356.3 Ų56.325%0.24530%0.299CS..  trans-89.388.8172.1-169.926.2000109.7E63 L68H60-E63 IonicContact CD2-OE2 2.79Å; H60-E63 IonicContact CE1-OE2 3.75Å; H60-E63 IonicContact NE2-OE2 3.22Å; H60-E63 PolarHBondContact NE2-OE2 3.21Å; H60-E63 CarbonylContact O-C 3.58Å; H60-E63 PolarHBondContact O-N 3.04Å; H60-E63 VanDerWaalsContact O-N 3.1Å; H60-L68 HydrophobicContact CB-CD1 4.16Å; H60-L68 HydrophobicContact CB-CG 4.48Å
61E91.2Very high96.4Very high170 Ų17058.7 Ų58.779%0.79431%0.307SS*.THydrogen-bonded Turntrans-56-41.7-173.1-66.5-173.8170.900114.8I59 E63I59-E61 HydrophobicContact CG2-CG 4.32Å; I59-E61 PolarHBondContact O-N 2.92Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 2.75Å
62P93.5Very high96.4Very high106 Ų10659.5 Ų59.569%0.68831%0.311SS*.THydrogen-bonded Turntrans-61.5-32.2176.3-25.635.9000113.8
63E94.7Very high96.4Very high81 Ų8153.9 Ų53.938%0.37928%0.282SS..  trans-133.576.5-173.9-60.7177.289.700110.8H60 E61 H65 I66H60-E63 IonicContact CD2-OE2 2.79Å; H60-E63 IonicContact CE1-OE2 3.75Å; H60-E63 IonicContact NE2-OE2 3.22Å; H60-E63 PolarHBondContact NE2-OE2 3.21Å; H60-E63 CarbonylContact O-C 3.58Å; H60-E63 PolarHBondContact O-N 3.04Å; H60-E63 VanDerWaalsContact O-N 3.1Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 2.75Å; E63-H65 PolarHBondContact O-N 2.82Å; E63-H65 IonicContact OE1-CE1 2.74Å; E63-I66 HydrophobicContact CB-CB 4.5Å; E63-I66 HydrophobicContact CB-CD1 3.83Å; E63-I66 HydrophobicContact CB-CG1 3.97Å; E63-I66 HydrophobicContact CG-CD1 4.4Å; E63-I66 WeakPolarHBondContact O-CB 3.44Å; E63-I66 PolarHBondContact O-N 3.36Å
64P92.3Very high96.2Very high58 Ų5855.7 Ų55.738%0.37729%0.287SS..THydrogen-bonded Turntrans-66.7-6.6-17327.3-37.1000114.4I66P64-I66 VanDerWaalsContact C-N 3.29Å
65H94.4Very high95.7Very high54 Ų5464.4 Ų64.425%0.2533%0.325CS..THydrogen-bonded Turntrans-83.8-7.4173.369.2-75.5000112.4M23 L24 E63M23-H65 WeakPolarHBondContact CA-O 3.48Å; L24-H65 PolarHBondContact N-O 3.24Å; E63-H65 PolarHBondContact O-N 2.82Å; E63-H65 IonicContact OE1-CE1 2.74Å
66I97.1Very high95.2Very high19 Ų1969.8 Ų69.810%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-100.3118.1176.6-56.4-173.3000108.6H21 V22 M23 E63 P64 L68H21-I66 HydrophobicContact CB-CG2 3.89Å; V22-I66 WeakPolarHBondContact O-CA 3.27Å; M23-I66 HydrophobicContact CG-CG1 4.3Å; E63-I66 HydrophobicContact CB-CB 4.5Å; E63-I66 HydrophobicContact CB-CD1 3.83Å; E63-I66 HydrophobicContact CB-CG1 3.97Å; E63-I66 HydrophobicContact CG-CD1 4.4Å; E63-I66 WeakPolarHBondContact O-CB 3.44Å; E63-I66 PolarHBondContact O-N 3.36Å; P64-I66 VanDerWaalsContact C-N 3.29Å; I66-L68 HydrophobicContact CG2-CD2 3.89Å
67L98Very high94.3Very high1 Ų175.2 Ų75.21%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-98.4128.5172.8-55.4-176.4000109.6H21 V22 L24 V32 M38 V48 F69H21-L67 CarbonylContact C-O 3.46Å; H21-L67 VanDerWaalsContact CA-O 3.28Å; H21-L67 WeakPolarHBondContact CA-O 3.44Å; V22-L67 HydrophobicContact CB-CB 4.34Å; V22-L67 PolarHBondContact N-O 2.88Å; V22-L67 PolarHBondContact O-N 2.89Å; L24-L67 HydrophobicContact CD1-CD1 4.02Å; L24-L67 HydrophobicContact CD1-CD2 4.31Å; L24-L67 HydrophobicContact CD1-CG 4.1Å; L24-L67 HydrophobicContact CD2-CD1 4.15Å; L24-L67 HydrophobicContact CG-CD1 4.19Å; L24-L67 HydrophobicContact CG-CG 4.22Å; V32-L67 HydrophobicContact CG1-CD2 3.9Å; V32-L67 HydrophobicContact CG2-CD2 3.99Å; M38-L67 HydrophobicContact CE-CD1 3.51Å; M38-L67 HydrophobicContact CE-CD2 3.34Å; M38-L67 HydrophobicContact CE-CG 4.02Å; V48-L67 HydrophobicContact CG2-CD1 3.96Å; L67-F69 HydrophobicContact CB-CD2 4.21Å; L67-F69 HydrophobicContact CB-CE2 3.48Å; L67-F69 VanDerWaalsContact CB-CE2 3.48Å; L67-F69 HydrophobicContact CB-CZ 3.99Å; L67-F69 HydrophobicContact CD1-CE2 4.06Å; L67-F69 HydrophobicContact CD1-CZ 3.98Å; L67-F69 HydrophobicContact CG-CE2 4.46Å
68L98.4Very high93.2Very high21 Ų2176.5 Ų76.511%0.1138%0.378CS..EExtended strand (participates in β ladder)trans-101.1118.7-178.7-58179.2000110.4H21 H56 Y57 M58 H60 I66H21-L68 HydrophobicContact CB-CD2 3.82Å; H56-L68 WeakPolarHBondContact CA-O 3.23Å; H56-L68 PolarHBondContact CD2-O 2.69Å; H56-L68 VanDerWaalsContact CD2-O 3.31Å; Y57-L68 HydrophobicContact CD1-CB 4.1Å; Y57-L68 VanDerWaalsContact CD1-O 3.27Å; Y57-L68 WeakPolarHBondContact CD1-O 3.49Å; Y57-L68 HydrophobicContact CE1-CB 3.57Å; Y57-L68 PolarHBondContact N-O 2.82Å; M58-L68 HydrophobicContact CB-CB 4.34Å; M58-L68 HydrophobicContact CB-CD1 3.89Å; M58-L68 HydrophobicContact CG-CD1 3.92Å; M58-L68 HydrophobicContact SD-CD1 3.86Å; H60-L68 HydrophobicContact CB-CD1 4.16Å; H60-L68 HydrophobicContact CB-CG 4.48Å; I66-L68 HydrophobicContact CG2-CD2 3.89Å
69F98.8Very high92Very high0 Ų083 Ų830%040%0.404CS..EExtended strand (participates in β ladder)trans-115.3144.6-179-65.4-83000111.7Y19 R20 V22 W43 V48 Q50 W54 V55 H56 L67Y19-F69 WeakPolarHBondContact CA-O 3.46Å; R20-F69 HydrophobicContact CG-CB 4.2Å; R20-F69 PolarHBondContact N-O 3.37Å; R20-F69 VanDerWaalsContact N-O 3.09Å; R20-F69 PolarHBondContact O-N 2.83Å; V22-F69 HydrophobicContact CB-CD2 4.28Å; V22-F69 HydrophobicContact CB-CE2 3.88Å; V22-F69 HydrophobicContact CG2-CD2 3.72Å; V22-F69 HydrophobicContact CG2-CE2 3.62Å; W43-F69 HydrophobicContact CB-CE1 4.39Å; W43-F69 HydrophobicContact CB-CZ 4.11Å; W43-F69 AromaticContact CD1-CE1 3.68Å; W43-F69 AromaticContact CD2-CE1 3.95Å; W43-F69 HydrophobicContact CD2-CE1 3.95Å; W43-F69 HydrophobicContact CD2-CZ 4.22Å; W43-F69 AromaticContact CE2-CE1 3.97Å; W43-F69 AromaticContact CG-CE1 3.78Å; W43-F69 HydrophobicContact CG-CE1 3.78Å; W43-F69 AromaticContact CG-CZ 3.96Å; W43-F69 HydrophobicContact CG-CZ 3.96Å; W43-F69 AromaticContact NE1-CE1 3.73Å; V48-F69 HydrophobicContact CG1-CE2 4.18Å; V48-F69 HydrophobicContact CG1-CZ 4.1Å; Q50-F69 VanDerWaalsContact NE2-CE1 3.33Å; W54-F69 HydrophobicContact CB-CB 4.5Å; W54-F69 HydrophobicContact CB-CD1 4.26Å; W54-F69 HydrophobicContact CD2-CB 4.31Å; W54-F69 HydrophobicContact CE3-CB 3.59Å; W54-F69 HydrophobicContact CZ3-CB 4.18Å; V55-F69 CarbonylContact O-C 3.54Å; V55-F69 VanDerWaalsContact O-CA 3.29Å; V55-F69 WeakPolarHBondContact O-CA 3.48Å; H56-F69 HydrophobicContact CB-CD1 4.12Å; H56-F69 HydrophobicContact CB-CE1 3.84Å; L67-F69 HydrophobicContact CB-CD2 4.21Å; L67-F69 HydrophobicContact CB-CE2 3.48Å; L67-F69 VanDerWaalsContact CB-CE2 3.48Å; L67-F69 HydrophobicContact CB-CZ 3.99Å; L67-F69 HydrophobicContact CD1-CE2 4.06Å; L67-F69 HydrophobicContact CD1-CZ 3.98Å; L67-F69 HydrophobicContact CG-CE2 4.46Å
70R98.5Very high91.8Very high83 Ų8384.3 Ų84.331%0.31341%0.41SS..EExtended strand (participates in β ladder)trans-133.6153.2168.475.9-174.9174.7176.9-3111.2Y17 E18 Y19 V55 Y57Y17-R70 HydrophobicContact CD1-CB 4.25Å; Y17-R70 HydrophobicContact CD1-CG 3.97Å; Y17-R70 HydrophobicContact CE1-CG 4.37Å; E18-R70 CarbonylContact O-C 3.58Å; E18-R70 VanDerWaalsContact O-CA 3.23Å; E18-R70 WeakPolarHBondContact O-CA 3.31Å; Y19-R70 HydrophobicContact CD1-CB 3.57Å; Y19-R70 HydrophobicContact CE1-CB 3.6Å; Y19-R70 HydrophobicContact CG-CB 4.45Å; V55-R70 PolarHBondContact N-O 2.74Å; V55-R70 PolarHBondContact O-N 2.63Å; Y57-R70 HydrophobicContact CD1-CB 3.81Å; Y57-R70 HydrophobicContact CD1-CG 3.94Å; Y57-R70 HydrophobicContact CE1-CB 4.21Å; Y57-R70 HydrophobicContact CG-CB 4.25Å; Y57-R70 HydrophobicContact CG-CG 3.92Å
71R97.7Very high91.7Very high68 Ų6885.9 Ų85.926%0.25742%0.418SS..EExtended strand (participates in β ladder)trans-140.6137.8171.6178.3167.872.3154.511.5108.9Y17 E18 S51 L52 G53 W54Y17-R71 CarbonylContact C-O 3.16Å; Y17-R71 WeakPolarHBondContact CA-O 3.32Å; E18-R71 HydrophobicContact CG-CB 3.95Å; E18-R71 WeakPolarHBondContact CG-O 3.27Å; E18-R71 PolarHBondContact N-O 3.02Å; E18-R71 PolarHBondContact O-N 3.09Å; E18-R71 IonicContact OE1-CZ 2.82Å; E18-R71 IonicContact OE1-NE 2.71Å; E18-R71 PolarHBondContact OE1-NE 2.79Å; E18-R71 IonicContact OE1-NH2 3.6Å; E18-R71 PolarHBondContact OE1-NH2 3.36Å; E18-R71 IonicContact OE2-NH2 3.88Å; S51-R71 PolarHBondContact OG-NH1 2.71Å; L52-R71 VanDerWaalsContact O-CD 3.22Å; L52-R71 WeakPolarHBondContact O-CD 3.37Å; L52-R71 PolarHBondContact O-NH1 2.71Å; G53-R71 WeakPolarHBondContact O-CB 3.35Å; G53-R71 VanDerWaalsContact O-CG 3.25Å; G53-R71 WeakPolarHBondContact O-CG 3.36Å; W54-R71 HydrophobicContact CD2-CB 4.05Å; W54-R71 HydrophobicContact CE3-CB 3.89Å; W54-R71 HydrophobicContact CZ3-CB 4.22Å
72P97.2Very high91.7Very high73 Ų7381.3 Ų81.347%0.47440%0.397SS..EExtended strand (participates in β ladder)trans-57.5140.6177.1-24.133.6000111.9H16 Y17H16-P72 WeakPolarHBondContact O-CA 3.26Å; Y17-P72 HydrophobicContact CD1-CG 4.35Å; Y17-P72 HydrophobicContact CE1-CG 4.11Å
73L95.8Very high91.6Very high13 Ų1379.8 Ų79.87%0.06838%0.38CS..PPolyproline II helixtrans-65.4148.6168.1-73.8175.6000110.2F13 D14 H16 E18 Q77 Q78F13-L73 HydrophobicContact CD1-CD2 3.92Å; F13-L73 HydrophobicContact CE1-CD2 4.4Å; D14-L73 VanDerWaalsContact O-CD1 3.32Å; D14-L73 WeakPolarHBondContact O-CD1 3.46Å; H16-L73 PolarHBondContact O-N 2.54Å; E18-L73 HydrophobicContact CB-CD2 4.18Å; L73-Q77 HydrophobicContact CB-CB 4.24Å; L73-Q78 HydrophobicContact CB-CG 3.95Å; L73-Q78 PolarHBondContact O-NE2 2.86Å
74P92.3Very high91.4Very high72 Ų7279.8 Ų79.847%0.46838%0.38SS..PPolyproline II helixtrans-49.8143.7164.3-23.232.7000110.6E76 Q77 Q78P74-E76 PolarHBondContact O-N 3.38Å; P74-Q77 HydrophobicContact CB-CG 4.47Å; P74-Q77 VanDerWaalsContact CD-OE1 3.27Å; P74-Q77 PolarHBondContact O-N 2.84Å; P74-Q78 PolarHBondContact O-N 3.35Å
75K88.2Confident91.3Very high188 Ų18881.2 Ų81.282%0.81738%0.381SS*.G310 helixtrans-54-30.4-179-70.2-174.5176.7-177.40113.3Q77 Q78K75-Q77 PolarHBondContact O-N 3.03Å; K75-Q78 PolarHBondContact O-N 3.49Å
76E87.6Confident91.1Very high191 Ų19183.1 Ų83.189%0.89339%0.39SS*.G310 helixtrans-70.1-17.9177.7-62172.9-176.100113.8P74P74-E76 PolarHBondContact O-N 3.38Å
77Q79.8Confident90.7Very high120 Ų12088.1 Ų88.156%0.56141%0.412SS*.G310 helixtrans-104.7-9.6-179.3-65-175.2-23.500113L73 P74 K75L73-Q77 HydrophobicContact CB-CB 4.24Å; P74-Q77 HydrophobicContact CB-CG 4.47Å; P74-Q77 VanDerWaalsContact CD-OE1 3.27Å; P74-Q77 PolarHBondContact O-N 2.84Å; K75-Q77 PolarHBondContact O-N 3.03Å
78Q76.2Confident90.1Very high78 Ų7895.3 Ų95.336%0.36445%0.446SS..  trans-76.9126173.4-64.3179.48.300108.3E15 L73 P74 K75E15-Q78 WeakPolarHBondContact O-CA 3.49Å; L73-Q78 HydrophobicContact CB-CG 3.95Å; L73-Q78 PolarHBondContact O-NE2 2.86Å; P74-Q78 PolarHBondContact O-N 3.35Å; K75-Q78 PolarHBondContact O-N 3.49Å
79K70.3Confident89.3Confident237 Ų237102.1 Ų102.1100%1.0348%0.477SS*.  trans-84.20179.6-76-173.5177.3179.20111.9

Retrieved 79 of 79 residues in 23 ms (Link to these results)

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