A0A060VPA4_ONCMY 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 (B5XB93), UniProt , Accession A0A060VPA4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 76 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
1M44.8Very low80.1Confident236 Ų236119 Ų119100%1.16357%0.571SS**  01090-54.3-79.9-110.800105.2
2S49.3Very low81.6Confident96 Ų96117.5 Ų117.567%0.67156%0.557SS**  cis-164104.620.9-57.70000108.3K4S2-K4 PolarHBondContact O-N 3.4Å
3Q51.7Low82.8Confident189 Ų189117.4 Ų117.488%0.88356%0.562SS**  trans-9547.8168.3-76.1-166.1-22.200110.5
4K64.8Low83.7Confident173 Ų173113.9 Ų113.975%0.75255%0.548SS*.  trans-93.41.7176.3-70.5-171.9176.2-178.70112.6S2S2-K4 PolarHBondContact O-N 3.4Å
5Q86.6Confident84.6Confident173 Ų173118.7 Ų118.781%0.80857%0.569SS**SBendtrans-98133.7-174-156.3167.716.900110Y7Q5-Y7 PolarHBondContact O-N 3.48Å
6I96Very high85.3Confident24 Ų24120.4 Ų120.412%0.12357%0.573CS.*PPolyproline II helixtrans-64.3130171.5-65.8172.1000108.1Y8 V22 L24 P25 I28 G47 V48I6-Y8 HydrophobicContact CB-CE2 4.08Å; I6-Y8 HydrophobicContact CG2-CD2 4.31Å; I6-Y8 HydrophobicContact CG2-CE1 4.38Å; I6-Y8 HydrophobicContact CG2-CE2 3.66Å; I6-V22 HydrophobicContact CG2-CG1 3.21Å; I6-L24 HydrophobicContact CD1-CD2 4.18Å; I6-L24 HydrophobicContact CG1-CD2 4.17Å; I6-L24 HydrophobicContact CG2-CD2 4.3Å; I6-P25 HydrophobicContact CG1-CG 4.5Å; I6-I28 HydrophobicContact CD1-CD1 4.22Å; I6-I28 HydrophobicContact CG1-CD1 4.23Å; I6-G47 WeakPolarHBondContact CD1-O 3.44Å; I6-V48 HydrophobicContact CD1-CG2 4.18Å
7Y97.2Very high86Confident118 Ų118116.1 Ų116.146%0.46355%0.552SS.*EExtended strand (participates in β ladder)trans-94.7139.8176.5171.2-88.6000110.7Q5 V22 M23Q5-Y7 PolarHBondContact O-N 3.48Å; Y7-V22 CarbonylContact O-C 3.19Å; Y7-V22 VanDerWaalsContact O-CA 3.3Å; Y7-V22 WeakPolarHBondContact O-CA 3.5Å; Y7-V22 WeakPolarHBondContact O-CG1 3.15Å; Y7-M23 HydrophobicContact CD1-CB 4.29Å; Y7-M23 HydrophobicContact CD1-CE 3.13Å; Y7-M23 HydrophobicContact CD1-CG 4.09Å; Y7-M23 HydrophobicContact CD1-SD 4.44Å; Y7-M23 HydrophobicContact CE1-CE 3.36Å; Y7-M23 HydrophobicContact CG-CE 3.81Å; Y7-M23 PolarHBondContact N-O 3.13Å; Y7-M23 PolarHBondContact O-N 3.24Å
8Y97.5Very high86.7Confident73 Ų73111.1 Ų111.129%0.28653%0.528SS..EExtended strand (participates in β ladder)trans-120.4123.8177.1-61.4-96.4000108.4I6 V22 V48 Q49 Q50I6-Y8 HydrophobicContact CB-CE2 4.08Å; I6-Y8 HydrophobicContact CG2-CD2 4.31Å; I6-Y8 HydrophobicContact CG2-CE1 4.38Å; I6-Y8 HydrophobicContact CG2-CE2 3.66Å; Y8-V22 HydrophobicContact CD1-CG1 4.37Å; Y8-V22 HydrophobicContact CD1-CG2 3.63Å; Y8-V22 HydrophobicContact CE1-CG1 4.22Å; Y8-V22 HydrophobicContact CE1-CG2 3.89Å; Y8-V48 HydrophobicContact CE1-CG1 4.2Å; Y8-Q49 WeakPolarHBondContact CE1-O 3.24Å; Y8-Q49 PolarHBondContact OH-N 3Å; Y8-Q49 PolarHBondContact OH-O 2.93Å; Y8-Q50 HydrophobicContact CE1-CG 4.04Å
9S97.8Very high87.3Confident5 Ų5106.8 Ų106.84%0.03551%0.506CS..PPolyproline II helixtrans-70.9164.9173.652.20000112.7R20 H21S9-R20 VanDerWaalsContact O-CZ 3.3Å; S9-R20 PolarHBondContact O-NE 3.1Å; S9-R20 PolarHBondContact O-NH2 3.4Å; S9-H21 WeakPolarHBondContact CB-CE1 3.5Å; S9-H21 WeakPolarHBondContact CB-NE2 3.47Å; S9-H21 PolarHBondContact N-O 3.03Å; S9-H21 VanDerWaalsContact N-O 3.07Å; S9-H21 PolarHBondContact OG-CE1 3.4Å; S9-H21 PolarHBondContact OG-N 3.44Å; S9-H21 PolarHBondContact OG-ND1 3.16Å; S9-H21 VanDerWaalsContact OG-ND1 3.16Å; S9-H21 PolarHBondContact OG-O 3.14Å
10D97.8Very high87.9Confident136 Ų136104 Ų10473%0.72749%0.49SS*.PPolyproline II helixtrans-58.6153162.6-64.8-40.8000110.7
11K97.6Very high88.4Confident86 Ų86101.5 Ų101.537%0.37448%0.479SS..PPolyproline II helixtrans-81.9147177.5-62.6164.7161.5-144.50109.1E18 Y19K11-E18 HydrophobicContact CB-CG 4.07Å; K11-E18 HydrophobicContact CD-CG 4.44Å; K11-E18 WeakPolarHBondContact CD-OE2 3.37Å; K11-E18 VanDerWaalsContact CE-OE2 3.25Å; K11-E18 WeakPolarHBondContact CE-OE2 3.41Å; K11-E18 HydrophobicContact CG-CG 4.45Å; K11-E18 IonicContact NZ-OE1 3.44Å; K11-E18 PolarHBondContact NZ-OE1 2.7Å; K11-E18 IonicContact NZ-OE2 3.57Å; K11-E18 PolarHBondContact NZ-OE2 3.07Å; K11-Y19 WeakPolarHBondContact CA-O 3.24Å
12Y97.8Very high90.9Very high101 Ų10190.3 Ų90.340%0.39642%0.423SS..EExtended strand (participates in β ladder)trans-141149.4172.750.3-83.3000108.4Y19Y12-Y19 HydrophobicContact CD2-CD2 4.2Å; Y12-Y19 HydrophobicContact CD2-CG 4.22Å; Y12-Y19 HydrophobicContact CE2-CD2 4.27Å; Y12-Y19 AromaticContact CE2-CG 3.89Å; Y12-Y19 HydrophobicContact CE2-CG 3.89Å; Y12-Y19 PolarHBondContact N-O 2.89Å; Y12-Y19 VanDerWaalsContact N-O 3.13Å; Y12-Y19 WeakPolarHBondContact O-CA 3.46Å; Y12-Y19 WeakPolarHBondContact O-CB 3.43Å; Y12-Y19 PolarHBondContact O-N 3.16Å
13D97.1Very high93.2Very high116 Ų11688.7 Ų88.762%0.6241%0.406SS*.EExtended strand (participates in β ladder)trans-130.3155.9-172.452.6-86.6000112.5F17D13-F17 VanDerWaalsContact CA-O 3.28Å; D13-F17 WeakPolarHBondContact CA-O 3.48Å; D13-F17 WeakPolarHBondContact CB-O 3.38Å
14D96.3Very high95.3Very high68 Ų6880 Ų8036%0.36437%0.366SS..  trans-115.4-170.7160.668.824.6000109.2K16 F17 Y19 L73D14-K16 PolarHBondContact O-N 3.41Å; D14-K16 WeakPolarHBondContact OD1-CA 3.45Å; D14-K16 PolarHBondContact OD1-N 2.81Å; D14-F17 PolarHBondContact N-O 2.83Å; D14-F17 PolarHBondContact OD1-N 2.88Å; D14-Y19 HydrophobicContact CB-CE2 4.16Å; D14-Y19 VanDerWaalsContact OD2-CE2 3.24Å; D14-Y19 WeakPolarHBondContact OD2-CE2 3.47Å; D14-Y19 VanDerWaalsContact OD2-CZ 3.31Å; D14-Y19 PolarHBondContact OD2-OH 2.99Å; D14-L73 WeakPolarHBondContact O-CD1 3.3Å
15E96.2Very high96.8Very high187 Ų18772.3 Ų72.387%0.87433%0.333SS*.SBendtrans-61.4-15.4-178.9-60.2178.2170.300114.7
16K96.3Very high97Very high146 Ų14673 Ų7364%0.63533%0.333SS*.SBendtrans-125.7-29.6-170.4-63.8-179.4-175.9176.40113.9D14 L73D14-K16 PolarHBondContact O-N 3.41Å; D14-K16 WeakPolarHBondContact OD1-CA 3.45Å; D14-K16 PolarHBondContact OD1-N 2.81Å; K16-L73 PolarHBondContact O-N 2.78Å
17F97.8Very high96.9Very high47 Ų4776.4 Ų76.421%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-137.3146-171.4-62.8-86.8000112.5D13 D14 Y19 R70 R71 P72D13-F17 VanDerWaalsContact CA-O 3.28Å; D13-F17 WeakPolarHBondContact CA-O 3.48Å; D13-F17 WeakPolarHBondContact CB-O 3.38Å; D14-F17 PolarHBondContact N-O 2.83Å; D14-F17 PolarHBondContact OD1-N 2.88Å; F17-Y19 HydrophobicContact CB-CD2 4.35Å; F17-Y19 HydrophobicContact CB-CE1 4.13Å; F17-Y19 HydrophobicContact CB-CE2 3.66Å; F17-Y19 WeakPolarHBondContact O-CE2 3.44Å; F17-R70 HydrophobicContact CB-CB 4.4Å; F17-R70 HydrophobicContact CD1-CB 4.36Å; F17-R70 HydrophobicContact CD1-CG 4.09Å; F17-R71 CarbonylContact C-O 3.44Å; F17-R71 VanDerWaalsContact CA-O 3.3Å; F17-R71 WeakPolarHBondContact CA-O 3.49Å; F17-P72 HydrophobicContact CD1-CG 4.39Å; F17-P72 HydrophobicContact CE1-CB 4.48Å; F17-P72 HydrophobicContact CE1-CG 4.1Å
18E98Very high96.7Very high26 Ų2672.2 Ų72.212%0.12134%0.337CS..EExtended strand (participates in β ladder)trans-93137.4160.6-166.6-167.6-99.300108.7K11 W54 R70 R71 L73K11-E18 HydrophobicContact CB-CG 4.07Å; K11-E18 HydrophobicContact CD-CG 4.44Å; K11-E18 WeakPolarHBondContact CD-OE2 3.37Å; K11-E18 VanDerWaalsContact CE-OE2 3.25Å; K11-E18 WeakPolarHBondContact CE-OE2 3.41Å; K11-E18 HydrophobicContact CG-CG 4.45Å; K11-E18 IonicContact NZ-OE1 3.44Å; K11-E18 PolarHBondContact NZ-OE1 2.7Å; K11-E18 IonicContact NZ-OE2 3.57Å; K11-E18 PolarHBondContact NZ-OE2 3.07Å; E18-W54 HydrophobicContact CB-CH2 4.5Å; E18-W54 HydrophobicContact CG-CH2 4.16Å; E18-W54 WeakPolarHBondContact O-CZ3 3.43Å; E18-W54 VanDerWaalsContact OE2-CH2 3.29Å; E18-W54 WeakPolarHBondContact OE2-CH2 3.35Å; E18-W54 WeakPolarHBondContact OE2-CZ2 3.46Å; E18-R70 CarbonylContact O-C 3.54Å; E18-R70 VanDerWaalsContact O-CA 3.24Å; E18-R70 WeakPolarHBondContact O-CA 3.35Å; E18-R71 HydrophobicContact CB-CG 3.97Å; E18-R71 PolarHBondContact N-O 2.92Å; E18-R71 PolarHBondContact O-N 2.91Å; E18-R71 IonicContact OE1-CZ 3.9Å; E18-R71 IonicContact OE1-NE 3.2Å; E18-R71 IonicContact OE1-NH2 3.23Å; E18-R71 PolarHBondContact OE1-NH2 3.22Å; E18-R71 IonicContact OE2-CZ 2.68Å; E18-R71 IonicContact OE2-NE 2.89Å; E18-R71 PolarHBondContact OE2-NE 3.08Å; E18-R71 IonicContact OE2-NH2 3.82Å; E18-R71 PolarHBondContact OE2-NH2 2.99Å; E18-L73 HydrophobicContact CB-CD2 3.93Å
19Y98.4Very high96.5Very high29 Ų2969.6 Ų69.611%0.11433%0.331CS..EExtended strand (participates in β ladder)trans-121.8156.1-176.2-58.8-89.4000111.4K11 Y12 D14 F17 Y57 F69 R70K11-Y19 WeakPolarHBondContact CA-O 3.24Å; Y12-Y19 HydrophobicContact CD2-CD2 4.2Å; Y12-Y19 HydrophobicContact CD2-CG 4.22Å; Y12-Y19 HydrophobicContact CE2-CD2 4.27Å; Y12-Y19 AromaticContact CE2-CG 3.89Å; Y12-Y19 HydrophobicContact CE2-CG 3.89Å; Y12-Y19 PolarHBondContact N-O 2.89Å; Y12-Y19 VanDerWaalsContact N-O 3.13Å; Y12-Y19 WeakPolarHBondContact O-CA 3.46Å; Y12-Y19 WeakPolarHBondContact O-CB 3.43Å; Y12-Y19 PolarHBondContact O-N 3.16Å; D14-Y19 HydrophobicContact CB-CE2 4.16Å; D14-Y19 VanDerWaalsContact OD2-CE2 3.24Å; D14-Y19 WeakPolarHBondContact OD2-CE2 3.47Å; D14-Y19 VanDerWaalsContact OD2-CZ 3.31Å; D14-Y19 PolarHBondContact OD2-OH 2.99Å; F17-Y19 HydrophobicContact CB-CD2 4.35Å; F17-Y19 HydrophobicContact CB-CE1 4.13Å; F17-Y19 HydrophobicContact CB-CE2 3.66Å; F17-Y19 WeakPolarHBondContact O-CE2 3.44Å; Y19-Y57 HydrophobicContact CD1-CE1 4.03Å; Y19-Y57 HydrophobicContact CE1-CE1 4.36Å; Y19-F69 WeakPolarHBondContact CA-O 3.47Å; Y19-R70 HydrophobicContact CD1-CB 3.51Å; Y19-R70 HydrophobicContact CE1-CB 3.58Å; Y19-R70 HydrophobicContact CG-CB 4.42Å
20R98.3Very high96.3Very high50 Ų5078 Ų7819%0.18937%0.366CS..EExtended strand (participates in β ladder)trans-160.4145.5171.2161.8175.2-77.8171.9-7.6108.6S9 V22 W54 F69S9-R20 VanDerWaalsContact O-CZ 3.3Å; S9-R20 PolarHBondContact O-NE 3.1Å; S9-R20 PolarHBondContact O-NH2 3.4Å; R20-V22 HydrophobicContact CG-CG2 4.37Å; R20-W54 HydrophobicContact CB-CH2 3.66Å; R20-W54 HydrophobicContact CB-CZ2 4.37Å; R20-W54 HydrophobicContact CB-CZ3 3.92Å; R20-F69 PolarHBondContact N-O 3.2Å; R20-F69 VanDerWaalsContact N-O 3.1Å; R20-F69 PolarHBondContact O-N 2.71Å
21H98.3Very high96.1Very high53 Ų5379.2 Ų79.225%0.24536%0.361CS..EExtended strand (participates in β ladder)trans-106146.8163.766.3-92.9000111.9S9 I66 L67 L68S9-H21 WeakPolarHBondContact CB-CE1 3.5Å; S9-H21 WeakPolarHBondContact CB-NE2 3.47Å; S9-H21 PolarHBondContact N-O 3.03Å; S9-H21 VanDerWaalsContact N-O 3.07Å; S9-H21 PolarHBondContact OG-CE1 3.4Å; S9-H21 PolarHBondContact OG-N 3.44Å; S9-H21 PolarHBondContact OG-ND1 3.16Å; S9-H21 VanDerWaalsContact OG-ND1 3.16Å; S9-H21 PolarHBondContact OG-O 3.14Å; H21-I66 HydrophobicContact CB-CG2 3.9Å; H21-L67 CarbonylContact C-O 3.57Å; H21-L67 VanDerWaalsContact CA-O 3.25Å; H21-L67 WeakPolarHBondContact CA-O 3.25Å; H21-L68 HydrophobicContact CB-CD2 3.79Å
22V98Very high96Very high0 Ų076 Ų760%035%0.348CS..EExtended strand (participates in β ladder)trans-119.4127.9177.5176.20000108.5I6 Y7 Y8 R20 L24 V48 I66 L67 F69I6-V22 HydrophobicContact CG2-CG1 3.21Å; Y7-V22 CarbonylContact O-C 3.19Å; Y7-V22 VanDerWaalsContact O-CA 3.3Å; Y7-V22 WeakPolarHBondContact O-CA 3.5Å; Y7-V22 WeakPolarHBondContact O-CG1 3.15Å; Y8-V22 HydrophobicContact CD1-CG1 4.37Å; Y8-V22 HydrophobicContact CD1-CG2 3.63Å; Y8-V22 HydrophobicContact CE1-CG1 4.22Å; Y8-V22 HydrophobicContact CE1-CG2 3.89Å; R20-V22 HydrophobicContact CG-CG2 4.37Å; V22-L24 HydrophobicContact CG1-CD2 4.33Å; V22-V48 HydrophobicContact CG1-CG1 4.24Å; V22-V48 HydrophobicContact CG1-CG2 4.17Å; V22-V48 HydrophobicContact CG2-CG1 4.35Å; V22-I66 WeakPolarHBondContact O-CA 3.31Å; V22-L67 HydrophobicContact CB-CB 4.4Å; V22-L67 PolarHBondContact N-O 2.88Å; V22-L67 PolarHBondContact O-N 2.8Å; V22-F69 HydrophobicContact CB-CD2 4.33Å; V22-F69 HydrophobicContact CB-CE2 3.93Å; V22-F69 HydrophobicContact CG2-CD2 3.81Å; V22-F69 HydrophobicContact CG2-CE2 3.69Å
23M97.5Very high95.8Very high62 Ų6272.6 Ų72.631%0.30534%0.339SS..EExtended strand (participates in β ladder)trans-102122.7177-56.2-168.2-87.600110.2Y7 H65 I66Y7-M23 HydrophobicContact CD1-CB 4.29Å; Y7-M23 HydrophobicContact CD1-CE 3.13Å; Y7-M23 HydrophobicContact CD1-CG 4.09Å; Y7-M23 HydrophobicContact CD1-SD 4.44Å; Y7-M23 HydrophobicContact CE1-CE 3.36Å; Y7-M23 HydrophobicContact CG-CE 3.81Å; Y7-M23 PolarHBondContact N-O 3.13Å; Y7-M23 PolarHBondContact O-N 3.24Å; M23-H65 WeakPolarHBondContact CA-O 3.29Å; M23-I66 HydrophobicContact CG-CG1 4.17Å
24L96.5Very high95.5Very high8 Ų875.5 Ų75.54%0.04235%0.346CS..PPolyproline II helixtrans-88.6141.8-180-59.4179.8000111.2I6 V22 I28 A29 V32 L46 V48 H65 L67I6-L24 HydrophobicContact CD1-CD2 4.18Å; I6-L24 HydrophobicContact CG1-CD2 4.17Å; I6-L24 HydrophobicContact CG2-CD2 4.3Å; V22-L24 HydrophobicContact CG1-CD2 4.33Å; L24-I28 HydrophobicContact CB-CB 4.4Å; L24-I28 HydrophobicContact CD1-CG2 4.15Å; L24-I28 HydrophobicContact CD2-CG2 4.27Å; L24-A29 HydrophobicContact CB-CB 4.22Å; L24-V32 HydrophobicContact CD1-CG2 3.37Å; L24-L46 HydrophobicContact CD1-CD1 4.43Å; L24-V48 HydrophobicContact CD2-CG2 3.69Å; L24-H65 PolarHBondContact N-O 2.78Å; L24-L67 HydrophobicContact CD1-CD1 3.96Å; L24-L67 HydrophobicContact CD1-CD2 4.28Å; L24-L67 HydrophobicContact CD1-CG 4.03Å; L24-L67 HydrophobicContact CD2-CD1 4.23Å; L24-L67 HydrophobicContact CG-CD1 4.23Å; L24-L67 HydrophobicContact CG-CG 4.21Å
25P95.7Very high95.3Very high11 Ų1178.3 Ų78.37%0.07137%0.366CS..PPolyproline II helixtrans-54149162.7-25.935.4000111.8I6 D27 I28 A29I6-P25 HydrophobicContact CG1-CG 4.5Å; P25-D27 WeakPolarHBondContact CB-OD1 3.4Å; P25-D27 PolarHBondContact O-N 3.25Å; P25-D27 VanDerWaalsContact O-N 3.1Å; P25-I28 HydrophobicContact CB-CG1 4.49Å; P25-I28 HydrophobicContact CG-CD1 4.26Å; P25-I28 PolarHBondContact O-N 2.9Å; P25-A29 PolarHBondContact O-N 3.1Å
26K91.5Very high95.2Very high186 Ų18673.3 Ų73.381%0.80934%0.342SS*.Hα-helixtrans-55.5-32.5-174.7-71.5-175.9177.9179.50113.9K30K26-K30 WeakPolarHBondContact O-CG 3.16Å
27D92.6Very high95.3Very high97 Ų9770.1 Ų70.152%0.51933%0.332SS..Hα-helixtrans-71.2-37.6178.352.9-53.8000112.6P25P25-D27 WeakPolarHBondContact CB-OD1 3.4Å; P25-D27 PolarHBondContact O-N 3.25Å; P25-D27 VanDerWaalsContact O-N 3.1Å
28I94.1Very high95.3Very high29 Ų2968.3 Ų68.315%0.14932%0.324CS..Hα-helixtrans-77.5-39.8176.6-53.7-175.8000110.5I6 L24 P25 K30 R31 L46I6-I28 HydrophobicContact CD1-CD1 4.22Å; I6-I28 HydrophobicContact CG1-CD1 4.23Å; L24-I28 HydrophobicContact CB-CB 4.4Å; L24-I28 HydrophobicContact CD1-CG2 4.15Å; L24-I28 HydrophobicContact CD2-CG2 4.27Å; P25-I28 HydrophobicContact CB-CG1 4.49Å; P25-I28 HydrophobicContact CG-CD1 4.26Å; P25-I28 PolarHBondContact O-N 2.9Å; I28-K30 PolarHBondContact O-N 2.89Å; I28-K30 VanDerWaalsContact O-N 3.08Å; I28-R31 WeakPolarHBondContact O-CB 3.38Å; I28-R31 PolarHBondContact O-N 3.1Å; I28-L46 HydrophobicContact CG2-CB 4.01Å; I28-L46 HydrophobicContact CG2-CD2 4.25Å; I28-L46 WeakPolarHBondContact CG2-O 3.47Å
29A93.7Very high95.3Very high18 Ų1869.7 Ų69.715%0.14934%0.337CS..Hα-helixtrans-56.1-28.9-178.700000113.6L24 P25 R31 V32 H65L24-A29 HydrophobicContact CB-CB 4.22Å; P25-A29 PolarHBondContact O-N 3.1Å; A29-R31 PolarHBondContact O-N 3.35Å; A29-V32 WeakPolarHBondContact O-CB 3.25Å; A29-V32 PolarHBondContact O-N 2.88Å; A29-H65 HydrophobicContact CB-CB 3.6Å
30K93.3Very high95.2Very high181 Ų18171.7 Ų71.779%0.78735%0.347SS*.THydrogen-bonded Turntrans-63.7-20.9175.7-67.9175.2-174.1-177.40113.8K26 I28K26-K30 WeakPolarHBondContact O-CG 3.16Å; I28-K30 PolarHBondContact O-N 2.89Å; I28-K30 VanDerWaalsContact O-N 3.08Å
31R93.8Very high95.2Very high162 Ų16273.8 Ų73.861%0.61137%0.366SS*.THydrogen-bonded Turntrans-91.3-5.2-179.5-60.8173.161.6-165.4-4.7112.8I28 A29 L46I28-R31 WeakPolarHBondContact O-CB 3.38Å; I28-R31 PolarHBondContact O-N 3.1Å; A29-R31 PolarHBondContact O-N 3.35Å; R31-L46 HydrophobicContact CB-CD2 3.61Å
32V94.3Very high95.1Very high18 Ų1874.7 Ų74.711%0.10937%0.37CS..SBendtrans-71.1127.4179177.80000109.6L24 A29 M38 L46 L67L24-V32 HydrophobicContact CD1-CG2 3.37Å; A29-V32 WeakPolarHBondContact O-CB 3.25Å; A29-V32 PolarHBondContact O-N 2.88Å; V32-M38 HydrophobicContact CG1-CE 4.06Å; V32-L46 HydrophobicContact CG2-CD1 3.99Å; V32-L67 HydrophobicContact CG1-CD2 4Å; V32-L67 HydrophobicContact CG2-CD2 4.15Å
33P94Very high95.1Very high30 Ų3074.8 Ų74.820%0.19537%0.37CS..  trans-67.5139176.327.3-32.6000110.9H36 M38P33-H36 WeakPolarHBondContact CB-CE1 3.29Å; P33-M38 VanDerWaalsContact CD-SD 3.6Å; P33-M38 HydrophobicContact CG-CG 3.49Å; P33-M38 VanDerWaalsContact CG-CG 3.49Å; P33-M38 HydrophobicContact CG-SD 4.12Å
34K90.7Very high95.1Very high177 Ų17776.2 Ų76.277%0.7737%0.372SS*.SBendtrans-95.4-9.9175.9-63-178.5-178.9-177.30113.4
35T91.9Very high95.1Very high128 Ų12881.1 Ų81.179%0.78540%0.399SS*.SBendtrans-97.8-20-169.752.80000113.5
36H95.4Very high95.1Very high82 Ų8281.3 Ų81.338%0.3840%0.399SS..SBendtrans-156.5161.9-174.862.1-77.7000111.6P33 E42 I59P33-H36 WeakPolarHBondContact CB-CE1 3.29Å; H36-E42 IonicContact NE2-OE1 2.73Å; H36-E42 PolarHBondContact NE2-OE1 3.09Å; H36-I59 WeakPolarHBondContact O-CD1 3.28Å
37L97.7Very high95.3Very high78 Ų7874.2 Ų74.241%0.40838%0.379SS..PPolyproline II helixtrans-75.5138.3170.8-66.7170.1000110.1I59L37-I59 HydrophobicContact CD2-CD1 4.42Å; L37-I59 HydrophobicContact CD2-CG1 3.64Å
38M97.8Very high95.5Very high9 Ų969.7 Ų69.74%0.04435%0.354CS..PPolyproline II helixtrans-75.7134.7-178.5-68.8-178.2-74.900112.3V32 P33 E42 W43 L46 H56 L67V32-M38 HydrophobicContact CG1-CE 4.06Å; P33-M38 VanDerWaalsContact CD-SD 3.6Å; P33-M38 HydrophobicContact CG-CG 3.49Å; P33-M38 VanDerWaalsContact CG-CG 3.49Å; P33-M38 HydrophobicContact CG-SD 4.12Å; M38-E42 HydrophobicContact CB-CB 3.91Å; M38-E42 HydrophobicContact CG-CB 4.12Å; M38-W43 HydrophobicContact CB-CB 4.35Å; M38-W43 HydrophobicContact CE-CB 4.27Å; M38-W43 HydrophobicContact SD-CB 4.28Å; M38-L46 HydrophobicContact CE-CD1 4.03Å; M38-L46 HydrophobicContact SD-CD1 3.5Å; M38-L46 WeakPolarHBondContact SD-CD1 3.38Å; M38-H56 PolarHBondContact N-ND1 3.17Å; M38-H56 VanDerWaalsContact N-ND1 3.17Å; M38-L67 HydrophobicContact CE-CD1 3.58Å; M38-L67 HydrophobicContact CE-CD2 3.42Å; M38-L67 VanDerWaalsContact CE-CD2 3.42Å; M38-L67 HydrophobicContact CE-CG 4.13Å
39S97.6Very high95.6Very high56 Ų5675.5 Ų75.539%0.39238%0.381SS..PPolyproline II helixtrans-66165.7164.364.40000112.2T41 E42 W43S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 2.89Å; S39-E42 WeakPolarHBondContact CB-OE2 3.39Å; S39-E42 PolarHBondContact N-OE2 3.2Å; S39-E42 PolarHBondContact O-N 3.5Å; S39-E42 VanDerWaalsContact O-N 3.11Å; S39-E42 VanDerWaalsContact OG-CG 3.31Å; S39-E42 WeakPolarHBondContact OG-CG 3.06Å; S39-E42 PolarHBondContact OG-N 2.8Å; S39-E42 PolarHBondContact OG-OE2 3.21Å; S39-W43 PolarHBondContact O-N 3.5Å
40E97.3Very high95.7Very high71 Ų7175.6 Ų75.633%0.33238%0.378SS..Hα-helixtrans-52.7-45.4175.4179.1158.4-176.800113E42 W43 R44E40-E42 VanDerWaalsContact C-N 3.34Å; E40-E42 PolarHBondContact O-N 2.81Å; E40-W43 VanDerWaalsContact CA-NE1 3.31Å; E40-W43 HydrophobicContact CB-CZ2 4.04Å; E40-W43 HydrophobicContact CG-CH2 4.04Å; E40-W43 HydrophobicContact CG-CZ2 3.55Å; E40-R44 HydrophobicContact CG-CG 4.4Å; E40-R44 WeakPolarHBondContact O-CB 3.33Å; E40-R44 WeakPolarHBondContact O-CG 3.38Å; E40-R44 PolarHBondContact O-N 3.21Å; E40-R44 VanDerWaalsContact O-N 3.09Å; E40-R44 IonicContact OE1-CZ 2.8Å; E40-R44 IonicContact OE1-NE 2.83Å; E40-R44 PolarHBondContact OE1-NE 2.68Å; E40-R44 IonicContact OE1-NH2 3.21Å; E40-R44 PolarHBondContact OE1-NH2 3.25Å
41T97.3Very high95.8Very high94 Ų9469.9 Ų69.958%0.57736%0.361SS*.Hα-helixtrans-61.2-42.3178-52.90000112S39 R44 N45S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 2.89Å; T41-R44 PolarHBondContact O-N 3.27Å; T41-N45 WeakPolarHBondContact O-CB 3.49Å; T41-N45 PolarHBondContact O-N 2.96Å; T41-N45 PolarHBondContact O-ND2 2.98Å
42E97.6Very high95.8Very high72 Ų7269.9 Ų69.934%0.33637%0.368SS..Hα-helixtrans-67.5-48.1-176.3-73.8169.1120.400112.7H36 M38 S39 E40 R44 N45 L46H36-E42 IonicContact NE2-OE1 2.73Å; H36-E42 PolarHBondContact NE2-OE1 3.09Å; M38-E42 HydrophobicContact CB-CB 3.91Å; M38-E42 HydrophobicContact CG-CB 4.12Å; S39-E42 WeakPolarHBondContact CB-OE2 3.39Å; S39-E42 PolarHBondContact N-OE2 3.2Å; S39-E42 PolarHBondContact O-N 3.5Å; S39-E42 VanDerWaalsContact O-N 3.11Å; S39-E42 VanDerWaalsContact OG-CG 3.31Å; S39-E42 WeakPolarHBondContact OG-CG 3.06Å; S39-E42 PolarHBondContact OG-N 2.8Å; S39-E42 PolarHBondContact OG-OE2 3.21Å; E40-E42 VanDerWaalsContact C-N 3.34Å; E40-E42 PolarHBondContact O-N 2.81Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-R44 PolarHBondContact O-N 3.27Å; E42-N45 WeakPolarHBondContact O-CB 3.5Å; E42-N45 PolarHBondContact O-N 3.23Å; E42-L46 PolarHBondContact O-N 3.04Å
43W97.3Very high95.8Very high1 Ų170.6 Ų70.60%0.00438%0.379CS..Hα-helixtrans-71.4-29.917960.2-109.8000112.2M38 S39 E40 N45 L46 V48 Q50 W54 F69M38-W43 HydrophobicContact CB-CB 4.35Å; M38-W43 HydrophobicContact CE-CB 4.27Å; M38-W43 HydrophobicContact SD-CB 4.28Å; S39-W43 PolarHBondContact O-N 3.5Å; E40-W43 VanDerWaalsContact CA-NE1 3.31Å; E40-W43 HydrophobicContact CB-CZ2 4.04Å; E40-W43 HydrophobicContact CG-CH2 4.04Å; E40-W43 HydrophobicContact CG-CZ2 3.55Å; W43-N45 VanDerWaalsContact C-N 3.34Å; W43-L46 WeakPolarHBondContact O-CB 3.28Å; W43-L46 PolarHBondContact O-N 3.48Å; W43-V48 HydrophobicContact CE3-CB 3.88Å; W43-V48 HydrophobicContact CE3-CG1 3.83Å; W43-V48 VanDerWaalsContact CE3-O 3.31Å; W43-V48 HydrophobicContact CZ3-CG1 4.28Å; W43-V48 VanDerWaalsContact CZ3-O 3.27Å; W43-V48 WeakPolarHBondContact CZ3-O 3.27Å; W43-V48 WeakPolarHBondContact O-CB 3.39Å; W43-V48 PolarHBondContact O-N 2.94Å; W43-Q50 HydrophobicContact CH2-CB 4.2Å; W43-Q50 HydrophobicContact CZ3-CB 4.31Å; W43-W54 HydrophobicContact CZ2-CB 4.42Å; W43-F69 HydrophobicContact CB-CE1 4.42Å; W43-F69 HydrophobicContact CB-CZ 4.18Å; W43-F69 AromaticContact CD1-CE1 3.66Å; W43-F69 AromaticContact CD2-CE1 3.98Å; W43-F69 HydrophobicContact CD2-CE1 3.98Å; W43-F69 HydrophobicContact CD2-CZ 4.23Å; W43-F69 AromaticContact CE2-CE1 3.96Å; W43-F69 AromaticContact CG-CE1 3.8Å; W43-F69 HydrophobicContact CG-CE1 3.8Å; W43-F69 AromaticContact CG-CZ 3.99Å; W43-F69 HydrophobicContact CG-CZ 3.99Å; W43-F69 AromaticContact NE1-CE1 3.66Å
44R96.7Very high96.1Very high92 Ų9269.4 Ų69.435%0.34737%0.371SS..Hα-helixtrans-63.7-39170.3-74.5-176.2-177.9-70.2-2.4111.8E40 T41 E42 L46 G47 Q50E40-R44 HydrophobicContact CG-CG 4.4Å; E40-R44 WeakPolarHBondContact O-CB 3.33Å; E40-R44 WeakPolarHBondContact O-CG 3.38Å; E40-R44 PolarHBondContact O-N 3.21Å; E40-R44 VanDerWaalsContact O-N 3.09Å; E40-R44 IonicContact OE1-CZ 2.8Å; E40-R44 IonicContact OE1-NE 2.83Å; E40-R44 PolarHBondContact OE1-NE 2.68Å; E40-R44 IonicContact OE1-NH2 3.21Å; E40-R44 PolarHBondContact OE1-NH2 3.25Å; T41-R44 PolarHBondContact O-N 3.27Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-R44 PolarHBondContact O-N 3.27Å; R44-L46 PolarHBondContact O-N 2.71Å; R44-G47 WeakPolarHBondContact O-CA 3.21Å; R44-G47 PolarHBondContact O-N 2.82Å; R44-Q50 PolarHBondContact NH1-O 3.19Å; R44-Q50 PolarHBondContact NH2-O 2.59Å
45N96.7Very high96.4Very high112 Ų11265 Ų6560%0.59936%0.355SS*.Hα-helixtrans-67.3-17.6175.9-72.9-18.8000113.7T41 E42 W43 G47T41-N45 WeakPolarHBondContact O-CB 3.49Å; T41-N45 PolarHBondContact O-N 2.96Å; T41-N45 PolarHBondContact O-ND2 2.98Å; E42-N45 WeakPolarHBondContact O-CB 3.5Å; E42-N45 PolarHBondContact O-N 3.23Å; W43-N45 VanDerWaalsContact C-N 3.34Å; N45-G47 VanDerWaalsContact C-N 3.26Å
46L95.3Very high96.7Very high14 Ų1459.2 Ų59.27%0.07332%0.319CS..THydrogen-bonded Turntrans-81.1-5.2168.9-65.3-179.3000113.1L24 I28 R31 V32 M38 E42 W43 R44L24-L46 HydrophobicContact CD1-CD1 4.43Å; I28-L46 HydrophobicContact CG2-CB 4.01Å; I28-L46 HydrophobicContact CG2-CD2 4.25Å; I28-L46 WeakPolarHBondContact CG2-O 3.47Å; R31-L46 HydrophobicContact CB-CD2 3.61Å; V32-L46 HydrophobicContact CG2-CD1 3.99Å; M38-L46 HydrophobicContact CE-CD1 4.03Å; M38-L46 HydrophobicContact SD-CD1 3.5Å; M38-L46 WeakPolarHBondContact SD-CD1 3.38Å; E42-L46 PolarHBondContact O-N 3.04Å; W43-L46 WeakPolarHBondContact O-CB 3.28Å; W43-L46 PolarHBondContact O-N 3.48Å; R44-L46 PolarHBondContact O-N 2.71Å
47G95.6Very high96.8Very high38 Ų3858.2 Ų58.239%0.39231%0.312SS..THydrogen-bonded Turntrans92.13.5-177.400000114I6 R44 N45 Q49I6-G47 WeakPolarHBondContact CD1-O 3.44Å; R44-G47 WeakPolarHBondContact O-CA 3.21Å; R44-G47 PolarHBondContact O-N 2.82Å; N45-G47 VanDerWaalsContact C-N 3.26Å; G47-Q49 PolarHBondContact O-N 2.86Å
48V96.9Very high96.8Very high1 Ų159.2 Ų59.21%0.00632%0.316CS..  trans-70.5117.2174.4178.30000108.9I6 Y8 V22 L24 W43 Q50 L67 F69I6-V48 HydrophobicContact CD1-CG2 4.18Å; Y8-V48 HydrophobicContact CE1-CG1 4.2Å; V22-V48 HydrophobicContact CG1-CG1 4.24Å; V22-V48 HydrophobicContact CG1-CG2 4.17Å; V22-V48 HydrophobicContact CG2-CG1 4.35Å; L24-V48 HydrophobicContact CD2-CG2 3.69Å; W43-V48 HydrophobicContact CE3-CB 3.88Å; W43-V48 HydrophobicContact CE3-CG1 3.83Å; W43-V48 VanDerWaalsContact CE3-O 3.31Å; W43-V48 HydrophobicContact CZ3-CG1 4.28Å; W43-V48 VanDerWaalsContact CZ3-O 3.27Å; W43-V48 WeakPolarHBondContact CZ3-O 3.27Å; W43-V48 WeakPolarHBondContact O-CB 3.39Å; W43-V48 PolarHBondContact O-N 2.94Å; V48-Q50 HydrophobicContact CG1-CG 4.07Å; V48-L67 HydrophobicContact CG2-CD1 4.04Å; V48-F69 HydrophobicContact CG1-CE2 4.29Å; V48-F69 HydrophobicContact CG1-CZ 4.22Å
49Q96.5Very high96.6Very high151 Ų15161.4 Ų61.471%0.70633%0.327SS*.  trans-104.4122.7174.9-62.2179.3-1.300111Y8 G47Y8-Q49 WeakPolarHBondContact CE1-O 3.24Å; Y8-Q49 PolarHBondContact OH-N 3Å; Y8-Q49 PolarHBondContact OH-O 2.93Å; G47-Q49 PolarHBondContact O-N 2.86Å
50Q95.4Very high96.4Very high20 Ų2061.8 Ų61.89%0.09332%0.323CS..  trans-143.9164.2172.8-57.9-170.398.400109.4Y8 W43 R44 V48 W54Y8-Q50 HydrophobicContact CE1-CG 4.04Å; W43-Q50 HydrophobicContact CH2-CB 4.2Å; W43-Q50 HydrophobicContact CZ3-CB 4.31Å; R44-Q50 PolarHBondContact NH1-O 3.19Å; R44-Q50 PolarHBondContact NH2-O 2.59Å; V48-Q50 HydrophobicContact CG1-CG 4.07Å; Q50-W54 HydrophobicContact CB-CG 4.18Å
51S95.5Very high96Very high61 Ų6166.4 Ų66.443%0.42734%0.344SS..  trans-59.8172169.560.70000111.5W54S51-W54 PolarHBondContact OG-NE1 2.78Å
52Q94.3Very high95.8Very high163 Ų16366.9 Ų66.976%0.76235%0.349SS*.THydrogen-bonded Turntrans-65.7151.6176.3-168.1174.515.100112.1
53G95.6Very high95.6Very high33 Ų3367.3 Ų67.334%0.3435%0.351SS..THydrogen-bonded Turntrans94.5-0.716800000116R71G53-R71 VanDerWaalsContact O-CB 3.22Å; G53-R71 WeakPolarHBondContact O-CB 3.36Å
54W98.3Very high95.3Very high5 Ų569.8 Ų69.82%0.01937%0.367CS..  trans-75.9131.1175.1-72.999.9000112.1E18 R20 W43 Q50 S51 F69 R71E18-W54 HydrophobicContact CB-CH2 4.5Å; E18-W54 HydrophobicContact CG-CH2 4.16Å; E18-W54 WeakPolarHBondContact O-CZ3 3.43Å; E18-W54 VanDerWaalsContact OE2-CH2 3.29Å; E18-W54 WeakPolarHBondContact OE2-CH2 3.35Å; E18-W54 WeakPolarHBondContact OE2-CZ2 3.46Å; R20-W54 HydrophobicContact CB-CH2 3.66Å; R20-W54 HydrophobicContact CB-CZ2 4.37Å; R20-W54 HydrophobicContact CB-CZ3 3.92Å; W43-W54 HydrophobicContact CZ2-CB 4.42Å; Q50-W54 HydrophobicContact CB-CG 4.18Å; S51-W54 PolarHBondContact OG-NE1 2.78Å; W54-F69 HydrophobicContact CB-CD1 4.28Å; W54-F69 HydrophobicContact CD2-CB 4.3Å; W54-F69 HydrophobicContact CE3-CB 3.53Å; W54-F69 HydrophobicContact CZ3-CB 4.08Å; W54-R71 HydrophobicContact CD2-CB 4.22Å; W54-R71 HydrophobicContact CD2-CG 4.12Å; W54-R71 HydrophobicContact CE3-CB 4.14Å; W54-R71 HydrophobicContact CE3-CG 4.07Å; W54-R71 HydrophobicContact CH2-CG 4.23Å; W54-R71 HydrophobicContact CZ2-CG 4.22Å; W54-R71 HydrophobicContact CZ3-CG 4.15Å
55I98.3Very high95.3Very high83 Ų8368.5 Ų68.543%0.42637%0.365SS..EExtended strand (participates in β ladder)trans-117.6124.2-177-58.8163.9000108.6Y57 F69 R70I55-Y57 PolarHBondContact O-N 3.2Å; I55-F69 CarbonylContact O-C 3.58Å; I55-F69 VanDerWaalsContact O-CA 3.28Å; I55-F69 WeakPolarHBondContact O-CA 3.22Å; I55-R70 PolarHBondContact N-O 3.11Å; I55-R70 PolarHBondContact O-N 3.42Å
56H98.4Very high95.3Very high7 Ų764.2 Ų64.23%0.03234%0.342CS..EExtended strand (participates in β ladder)trans-71.7106.6168.9-179.2-162.5000108.1M38 M58 L68 F69M38-H56 PolarHBondContact N-ND1 3.17Å; M38-H56 VanDerWaalsContact N-ND1 3.17Å; H56-M58 PolarHBondContact CD2-O 3.23Å; H56-M58 PolarHBondContact NE2-O 3.19Å; H56-L68 WeakPolarHBondContact CA-O 3.21Å; H56-L68 PolarHBondContact CD2-O 3.32Å; H56-F69 HydrophobicContact CB-CD1 4.12Å; H56-F69 HydrophobicContact CB-CE1 3.84Å
57Y97.9Very high95.4Very high62 Ų6263.6 Ų63.624%0.24334%0.339CS..EExtended strand (participates in β ladder)trans-107.5-14.6-164.979.4-82.2000114.6Y19 I55 L68 R70Y19-Y57 HydrophobicContact CD1-CE1 4.03Å; Y19-Y57 HydrophobicContact CE1-CE1 4.36Å; I55-Y57 PolarHBondContact O-N 3.2Å; Y57-L68 HydrophobicContact CD1-CB 4.2Å; Y57-L68 VanDerWaalsContact CD1-O 3.29Å; Y57-L68 WeakPolarHBondContact CD1-O 3.3Å; Y57-L68 HydrophobicContact CE1-CB 3.66Å; Y57-L68 PolarHBondContact N-O 3.42Å; Y57-L68 VanDerWaalsContact N-O 3.1Å; Y57-R70 HydrophobicContact CD1-CB 3.87Å; Y57-R70 HydrophobicContact CD1-CG 3.88Å; Y57-R70 HydrophobicContact CE1-CB 4.25Å; Y57-R70 HydrophobicContact CG-CB 4.37Å; Y57-R70 HydrophobicContact CG-CG 3.93Å
58M96.1Very high95.6Very high98 Ų9863 Ų6348%0.48333%0.326SS..EExtended strand (participates in β ladder)trans-154.4140.1-177.9-176.3-178.7-68.400110.9H56 L68H56-M58 PolarHBondContact CD2-O 3.23Å; H56-M58 PolarHBondContact NE2-O 3.19Å; M58-L68 HydrophobicContact CB-CB 4.49Å; M58-L68 HydrophobicContact CB-CD1 3.98Å; M58-L68 HydrophobicContact CG-CD1 4.11Å; M58-L68 HydrophobicContact SD-CD1 4.08Å
59I94.8Very high95.6Very high55 Ų5563 Ų6328%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-95.4122171.4-55.1179.8000108.6H36 L37 Q61H36-I59 WeakPolarHBondContact O-CD1 3.28Å; L37-I59 HydrophobicContact CD2-CD1 4.42Å; L37-I59 HydrophobicContact CD2-CG1 3.64Å; I59-Q61 PolarHBondContact O-N 3Å
60H92.2Very high95.7Very high65 Ų6559.7 Ų59.730%0.30131%0.307SS..  trans-89.395.4170.3-166.948.8000110.3E63 L68H60-E63 IonicContact CD2-OE2 3.07Å; H60-E63 IonicContact NE2-OE2 2.81Å; H60-E63 PolarHBondContact NE2-OE2 3.01Å; H60-E63 CarbonylContact O-C 3.56Å; H60-E63 PolarHBondContact O-N 3.23Å; H60-E63 VanDerWaalsContact O-N 3.16Å; H60-L68 HydrophobicContact CB-CD1 4.29Å
61Q88.8Confident95.8Very high167 Ų16761.9 Ų61.978%0.7832%0.315SS*.THydrogen-bonded Turntrans-57.7-40.3-174.7-68.1-172.22.700115I59 E63I59-Q61 PolarHBondContact O-N 3Å; Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 PolarHBondContact O-N 2.73Å
62P93.1Very high95.9Very high104 Ų10462.7 Ų62.768%0.67532%0.318SS*.THydrogen-bonded Turntrans-63.2-32.2177-24.836.4000113.5
63E94.2Very high95.9Very high81 Ų8157.8 Ų57.838%0.37930%0.297SS..  trans-127.975-178.2-46-178.280.700111.1H60 Q61 H65 I66H60-E63 IonicContact CD2-OE2 3.07Å; H60-E63 IonicContact NE2-OE2 2.81Å; H60-E63 PolarHBondContact NE2-OE2 3.01Å; H60-E63 CarbonylContact O-C 3.56Å; H60-E63 PolarHBondContact O-N 3.23Å; H60-E63 VanDerWaalsContact O-N 3.16Å; Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 PolarHBondContact O-N 2.73Å; E63-H65 PolarHBondContact O-N 2.83Å; E63-H65 IonicContact OE1-CE1 3.88Å; E63-I66 HydrophobicContact CB-CB 4.44Å; E63-I66 HydrophobicContact CB-CD1 3.77Å; E63-I66 HydrophobicContact CB-CG1 3.88Å; E63-I66 HydrophobicContact CG-CD1 4.32Å; E63-I66 WeakPolarHBondContact O-CB 3.24Å; E63-I66 PolarHBondContact O-N 2.77Å; E63-I66 WeakPolarHBondContact OE1-CD1 3.44Å
64P91.9Very high95.6Very high54 Ų5461.8 Ų61.835%0.35132%0.317SS..THydrogen-bonded Turntrans-68.1-8.9-173.528.8-37.2000114I66P64-I66 VanDerWaalsContact C-N 3.29Å
65H95.3Very high94.6Very high64 Ų6466.3 Ų66.330%0.29636%0.356SS..THydrogen-bonded Turntrans-82.7-8.8173.967.9-74.8000112.3M23 L24 A29 E63M23-H65 WeakPolarHBondContact CA-O 3.29Å; L24-H65 PolarHBondContact N-O 2.78Å; A29-H65 HydrophobicContact CB-CB 3.6Å; E63-H65 PolarHBondContact O-N 2.83Å; E63-H65 IonicContact OE1-CE1 3.88Å
66I97.3Very high92.8Very high23 Ų2370.7 Ų70.712%0.11841%0.405CS..EExtended strand (participates in β ladder)trans-98.9117.2175.7-53.7-173.4000108.7H21 V22 M23 E63 P64 L68H21-I66 HydrophobicContact CB-CG2 3.9Å; V22-I66 WeakPolarHBondContact O-CA 3.31Å; M23-I66 HydrophobicContact CG-CG1 4.17Å; E63-I66 HydrophobicContact CB-CB 4.44Å; E63-I66 HydrophobicContact CB-CD1 3.77Å; E63-I66 HydrophobicContact CB-CG1 3.88Å; E63-I66 HydrophobicContact CG-CD1 4.32Å; E63-I66 WeakPolarHBondContact O-CB 3.24Å; E63-I66 PolarHBondContact O-N 2.77Å; E63-I66 WeakPolarHBondContact OE1-CD1 3.44Å; P64-I66 VanDerWaalsContact C-N 3.29Å; I66-L68 HydrophobicContact CG2-CD2 3.96Å
67L97.9Very high92.5Very high1 Ų173.9 Ų73.91%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-98128.9173.3-56.2-173.4000109.8H21 V22 L24 V32 M38 V48 F69H21-L67 CarbonylContact C-O 3.57Å; H21-L67 VanDerWaalsContact CA-O 3.25Å; H21-L67 WeakPolarHBondContact CA-O 3.25Å; V22-L67 HydrophobicContact CB-CB 4.4Å; V22-L67 PolarHBondContact N-O 2.88Å; V22-L67 PolarHBondContact O-N 2.8Å; L24-L67 HydrophobicContact CD1-CD1 3.96Å; L24-L67 HydrophobicContact CD1-CD2 4.28Å; L24-L67 HydrophobicContact CD1-CG 4.03Å; L24-L67 HydrophobicContact CD2-CD1 4.23Å; L24-L67 HydrophobicContact CG-CD1 4.23Å; L24-L67 HydrophobicContact CG-CG 4.21Å; V32-L67 HydrophobicContact CG1-CD2 4Å; V32-L67 HydrophobicContact CG2-CD2 4.15Å; M38-L67 HydrophobicContact CE-CD1 3.58Å; M38-L67 HydrophobicContact CE-CD2 3.42Å; M38-L67 VanDerWaalsContact CE-CD2 3.42Å; M38-L67 HydrophobicContact CE-CG 4.13Å; V48-L67 HydrophobicContact CG2-CD1 4.04Å; L67-F69 HydrophobicContact CB-CD2 4.2Å; L67-F69 HydrophobicContact CB-CE2 3.46Å; L67-F69 VanDerWaalsContact CB-CE2 3.46Å; L67-F69 HydrophobicContact CB-CZ 3.95Å; L67-F69 HydrophobicContact CD1-CE2 4.05Å; L67-F69 HydrophobicContact CD1-CZ 3.92Å; L67-F69 HydrophobicContact CG-CE2 4.44Å
68L98.3Very high92.2Very high25 Ų2574.5 Ų74.513%0.13143%0.433CS..EExtended strand (participates in β ladder)trans-102.4116.3-177.8-58178.1000110.5H21 H56 Y57 M58 H60 I66H21-L68 HydrophobicContact CB-CD2 3.79Å; H56-L68 WeakPolarHBondContact CA-O 3.21Å; H56-L68 PolarHBondContact CD2-O 3.32Å; Y57-L68 HydrophobicContact CD1-CB 4.2Å; Y57-L68 VanDerWaalsContact CD1-O 3.29Å; Y57-L68 WeakPolarHBondContact CD1-O 3.3Å; Y57-L68 HydrophobicContact CE1-CB 3.66Å; Y57-L68 PolarHBondContact N-O 3.42Å; Y57-L68 VanDerWaalsContact N-O 3.1Å; M58-L68 HydrophobicContact CB-CB 4.49Å; M58-L68 HydrophobicContact CB-CD1 3.98Å; M58-L68 HydrophobicContact CG-CD1 4.11Å; M58-L68 HydrophobicContact SD-CD1 4.08Å; H60-L68 HydrophobicContact CB-CD1 4.29Å; I66-L68 HydrophobicContact CG2-CD2 3.96Å
69F98.6Very high92Very high0 Ų073.2 Ų73.20%043%0.43CS..EExtended strand (participates in β ladder)trans-113.4147-178.9-64-83.6000111.9Y19 R20 V22 W43 V48 W54 I55 H56 L67Y19-F69 WeakPolarHBondContact CA-O 3.47Å; R20-F69 PolarHBondContact N-O 3.2Å; R20-F69 VanDerWaalsContact N-O 3.1Å; R20-F69 PolarHBondContact O-N 2.71Å; V22-F69 HydrophobicContact CB-CD2 4.33Å; V22-F69 HydrophobicContact CB-CE2 3.93Å; V22-F69 HydrophobicContact CG2-CD2 3.81Å; V22-F69 HydrophobicContact CG2-CE2 3.69Å; W43-F69 HydrophobicContact CB-CE1 4.42Å; W43-F69 HydrophobicContact CB-CZ 4.18Å; W43-F69 AromaticContact CD1-CE1 3.66Å; W43-F69 AromaticContact CD2-CE1 3.98Å; W43-F69 HydrophobicContact CD2-CE1 3.98Å; W43-F69 HydrophobicContact CD2-CZ 4.23Å; W43-F69 AromaticContact CE2-CE1 3.96Å; W43-F69 AromaticContact CG-CE1 3.8Å; W43-F69 HydrophobicContact CG-CE1 3.8Å; W43-F69 AromaticContact CG-CZ 3.99Å; W43-F69 HydrophobicContact CG-CZ 3.99Å; W43-F69 AromaticContact NE1-CE1 3.66Å; V48-F69 HydrophobicContact CG1-CE2 4.29Å; V48-F69 HydrophobicContact CG1-CZ 4.22Å; W54-F69 HydrophobicContact CB-CD1 4.28Å; W54-F69 HydrophobicContact CD2-CB 4.3Å; W54-F69 HydrophobicContact CE3-CB 3.53Å; W54-F69 HydrophobicContact CZ3-CB 4.08Å; I55-F69 CarbonylContact O-C 3.58Å; I55-F69 VanDerWaalsContact O-CA 3.28Å; I55-F69 WeakPolarHBondContact O-CA 3.22Å; H56-F69 HydrophobicContact CB-CD1 4.12Å; H56-F69 HydrophobicContact CB-CE1 3.84Å; L67-F69 HydrophobicContact CB-CD2 4.2Å; L67-F69 HydrophobicContact CB-CE2 3.46Å; L67-F69 VanDerWaalsContact CB-CE2 3.46Å; L67-F69 HydrophobicContact CB-CZ 3.95Å; L67-F69 HydrophobicContact CD1-CE2 4.05Å; L67-F69 HydrophobicContact CD1-CZ 3.92Å; L67-F69 HydrophobicContact CG-CE2 4.44Å
70R98.4Very high91.8Very high83 Ų8374.3 Ų74.331%0.31344%0.438SS..EExtended strand (participates in β ladder)trans-135.9153.516774.1-176.3177.4178.1-2.4110.7F17 E18 Y19 I55 Y57F17-R70 HydrophobicContact CB-CB 4.4Å; F17-R70 HydrophobicContact CD1-CB 4.36Å; F17-R70 HydrophobicContact CD1-CG 4.09Å; E18-R70 CarbonylContact O-C 3.54Å; E18-R70 VanDerWaalsContact O-CA 3.24Å; E18-R70 WeakPolarHBondContact O-CA 3.35Å; Y19-R70 HydrophobicContact CD1-CB 3.51Å; Y19-R70 HydrophobicContact CE1-CB 3.58Å; Y19-R70 HydrophobicContact CG-CB 4.42Å; I55-R70 PolarHBondContact N-O 3.11Å; I55-R70 PolarHBondContact O-N 3.42Å; Y57-R70 HydrophobicContact CD1-CB 3.87Å; Y57-R70 HydrophobicContact CD1-CG 3.88Å; Y57-R70 HydrophobicContact CE1-CB 4.25Å; Y57-R70 HydrophobicContact CG-CB 4.37Å; Y57-R70 HydrophobicContact CG-CG 3.93Å
71R97.7Very high91.8Very high65 Ų6574.9 Ų74.925%0.24545%0.447CS..EExtended strand (participates in β ladder)trans-137.9143.6167.263.7177.5-179.8153.913.7109.7F17 E18 G53 W54F17-R71 CarbonylContact C-O 3.44Å; F17-R71 VanDerWaalsContact CA-O 3.3Å; F17-R71 WeakPolarHBondContact CA-O 3.49Å; E18-R71 HydrophobicContact CB-CG 3.97Å; E18-R71 PolarHBondContact N-O 2.92Å; E18-R71 PolarHBondContact O-N 2.91Å; E18-R71 IonicContact OE1-CZ 3.9Å; E18-R71 IonicContact OE1-NE 3.2Å; E18-R71 IonicContact OE1-NH2 3.23Å; E18-R71 PolarHBondContact OE1-NH2 3.22Å; E18-R71 IonicContact OE2-CZ 2.68Å; E18-R71 IonicContact OE2-NE 2.89Å; E18-R71 PolarHBondContact OE2-NE 3.08Å; E18-R71 IonicContact OE2-NH2 3.82Å; E18-R71 PolarHBondContact OE2-NH2 2.99Å; G53-R71 VanDerWaalsContact O-CB 3.22Å; G53-R71 WeakPolarHBondContact O-CB 3.36Å; W54-R71 HydrophobicContact CD2-CB 4.22Å; W54-R71 HydrophobicContact CD2-CG 4.12Å; W54-R71 HydrophobicContact CE3-CB 4.14Å; W54-R71 HydrophobicContact CE3-CG 4.07Å; W54-R71 HydrophobicContact CH2-CG 4.23Å; W54-R71 HydrophobicContact CZ2-CG 4.22Å; W54-R71 HydrophobicContact CZ3-CG 4.15Å
72P97Very high92Very high78 Ų7868.7 Ų68.751%0.50643%0.425SS..EExtended strand (participates in β ladder)trans-57.6141.2174.8-2232.6000110.9F17F17-P72 HydrophobicContact CD1-CG 4.39Å; F17-P72 HydrophobicContact CE1-CB 4.48Å; F17-P72 HydrophobicContact CE1-CG 4.1Å
73L95.1Very high92Very high60 Ų6066.2 Ų66.231%0.31441%0.407SS..PPolyproline II helixtrans-67.5150.4167.9-69.1174.3000109.7D14 K16 E18 A75D14-L73 WeakPolarHBondContact O-CD1 3.3Å; K16-L73 PolarHBondContact O-N 2.78Å; E18-L73 HydrophobicContact CB-CD2 3.93Å; L73-A75 PolarHBondContact O-N 3.25Å
74P88.8Confident91.8Very high118 Ų11865.1 Ų65.177%0.76641%0.409SS*.PPolyproline II helixtrans-52.8134.7169.3-21.732.7000109.4A76P74-A76 PolarHBondContact O-N 3.34Å
75A77.6Confident91.8Very high100 Ų10066 Ų6683%0.82641%0.414SS*.PPolyproline II helixtrans-57.8128.8166.500000107.6L73L73-A75 PolarHBondContact O-N 3.25Å
76A59.3Low91.5Very high175 Ų17566.2 Ų66.2100%1.44643%0.425SS*.  trans-62.40174.200000111P74P74-A76 PolarHBondContact O-N 3.34Å

Retrieved 76 of 76 residues in 312.8 ms (Link to these results)

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