A0A087WPF2_MOUSE Loading...

Ankyrin repeat domain 27

AlphaFold DB , UniProt , Accession A0A087WPF2, Species MOUSE (Mus musculus, Mouse), Gene Ankrd27, Length 85 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
1M38.5Very low55.6Low246 Ų246115.4 Ų115.4100%1.21258%0.581SS**  0105.20-167.7164.2162.600105.6L3M1-L3 PolarHBondContact O-N 3.35Å
2A40Very low56.7Low69 Ų69112.8 Ų112.857%0.5758%0.578SS**  trans-85.1110.2-168.700000108.9Y4A2-Y4 HydrophobicContact CB-CD2 3.6Å; A2-Y4 HydrophobicContact CB-CE2 3.15Å; A2-Y4 PolarHBondContact O-N 3.19Å
3L43.6Very low57.8Low166 Ų166109.9 Ų109.987%0.86956%0.559SS**  trans-77.589178.2-17582.8000108M1M1-L3 PolarHBondContact O-N 3.35Å
4Y51.2Low58.6Low194 Ų194105.4 Ų105.476%0.76153%0.533SS*.  trans-108.790.4174.8-64.2-63.5000109.5A2A2-Y4 HydrophobicContact CB-CD2 3.6Å; A2-Y4 HydrophobicContact CB-CE2 3.15Å; A2-Y4 PolarHBondContact O-N 3.19Å
5D52.6Low59.5Low119 Ų119103.5 Ų103.564%0.63652%0.524SS*.  trans-94.243.3176.6-167.8-97.3000111.1D7 K10D5-D7 PolarHBondContact O-N 3.26Å; D5-K10 IonicContact OD1-NZ 3.26Å; D5-K10 PolarHBondContact OD1-NZ 2.84Å
6E57.6Low60.2Low96 Ų9699.4 Ų99.445%0.44951%0.511SS..  trans-93.786.1178-72.7-120.388.100109.5L8E6-L8 PolarHBondContact O-N 3.08Å
7D64.3Low60.7Low84 Ų8496.2 Ų96.245%0.44949%0.494SS..  trans-47.8131.4160.2-169.2-66000108.5D5 L9 K10 N11D5-D7 PolarHBondContact O-N 3.26Å; D7-L9 PolarHBondContact O-N 3.26Å; D7-L9 VanDerWaalsContact O-N 3.07Å; D7-L9 VanDerWaalsContact OD1-CB 3.28Å; D7-L9 WeakPolarHBondContact OD1-CB 3.14Å; D7-L9 PolarHBondContact OD1-N 2.98Å; D7-K10 HydrophobicContact CB-CB 4.34Å; D7-K10 VanDerWaalsContact CB-CE 3.48Å; D7-K10 HydrophobicContact CB-CG 4.29Å; D7-K10 CarbonylContact O-C 3.54Å; D7-K10 WeakPolarHBondContact O-CA 3.17Å; D7-K10 WeakPolarHBondContact O-CB 3.27Å; D7-K10 PolarHBondContact O-N 3.23Å; D7-N11 PolarHBondContact O-N 3.25Å; D7-N11 VanDerWaalsContact O-N 3.12Å
8L62.8Low61Low59 Ų5996.3 Ų96.331%0.30949%0.493SS..THydrogen-bonded Turntrans-54.4-32.3-177.5-179.464000112.2E6 K10 N11 Y14 F63 I73E6-L8 PolarHBondContact O-N 3.08Å; L8-K10 PolarHBondContact O-N 2.87Å; L8-N11 PolarHBondContact O-N 2.89Å; L8-Y14 HydrophobicContact CD1-CD2 4.12Å; L8-Y14 HydrophobicContact CD1-CG 4.26Å; L8-Y14 HydrophobicContact CG-CD2 4.26Å; L8-Y14 HydrophobicContact CG-CG 4.32Å; L8-Y14 WeakPolarHBondContact O-CB 3.39Å; L8-F63 HydrophobicContact CD1-CD1 4.02Å; L8-F63 HydrophobicContact CD1-CD2 4.19Å; L8-F63 HydrophobicContact CD1-CE1 3.63Å; L8-F63 HydrophobicContact CD1-CE2 3.82Å; L8-F63 HydrophobicContact CD1-CG 4.26Å; L8-F63 HydrophobicContact CD1-CZ 3.5Å; L8-F63 VanDerWaalsContact CD1-CZ 3.5Å; L8-I73 HydrophobicContact CD1-CD1 3.38Å; L8-I73 HydrophobicContact CD2-CD1 3.78Å; L8-I73 HydrophobicContact CG-CD1 4.24Å
9L62.9Low61.9Low116 Ų11699.8 Ų99.861%0.60750%0.504SS*.THydrogen-bonded Turntrans-72.3-15.7177-60174.4000113.1D7 Y14 L15D7-L9 PolarHBondContact O-N 3.26Å; D7-L9 VanDerWaalsContact O-N 3.07Å; D7-L9 VanDerWaalsContact OD1-CB 3.28Å; D7-L9 WeakPolarHBondContact OD1-CB 3.14Å; D7-L9 PolarHBondContact OD1-N 2.98Å; L9-Y14 HydrophobicContact CD2-CE1 4.21Å; L9-L15 WeakPolarHBondContact O-CD2 3.18Å
10K70.3Confident62.1Low112 Ų112104.5 Ų104.549%0.48752%0.515SS..THydrogen-bonded Turntrans-99-15175.2-69.1-170.7-83.4166.40112.8D5 D7 L8 L15D5-K10 IonicContact OD1-NZ 3.26Å; D5-K10 PolarHBondContact OD1-NZ 2.84Å; D7-K10 HydrophobicContact CB-CB 4.34Å; D7-K10 VanDerWaalsContact CB-CE 3.48Å; D7-K10 HydrophobicContact CB-CG 4.29Å; D7-K10 CarbonylContact O-C 3.54Å; D7-K10 WeakPolarHBondContact O-CA 3.17Å; D7-K10 WeakPolarHBondContact O-CB 3.27Å; D7-K10 PolarHBondContact O-N 3.23Å; L8-K10 PolarHBondContact O-N 2.87Å; K10-L15 WeakPolarHBondContact O-CD1 3.48Å
11N67.9Low62.2Low8 Ų8106 Ų1064%0.04352%0.515CS..  trans-60.9125.6-178.6173.4-75.9000111.4D7 L8 F13 Y14 L15 F63D7-N11 PolarHBondContact O-N 3.25Å; D7-N11 VanDerWaalsContact O-N 3.12Å; L8-N11 PolarHBondContact O-N 2.89Å; N11-F13 VanDerWaalsContact C-N 3.26Å; N11-F13 PolarHBondContact O-N 3.34Å; N11-F13 VanDerWaalsContact OD1-CA 3.27Å; N11-F13 WeakPolarHBondContact OD1-CA 3.41Å; N11-F13 WeakPolarHBondContact OD1-CB 3.49Å; N11-F13 PolarHBondContact OD1-N 3.12Å; N11-Y14 PolarHBondContact O-N 2.97Å; N11-Y14 VanDerWaalsContact O-N 3.17Å; N11-Y14 PolarHBondContact OD1-N 2.81Å; N11-L15 WeakPolarHBondContact O-CG 3.4Å; N11-L15 PolarHBondContact O-N 3.17Å; N11-F63 HydrophobicContact CB-CE1 3.83Å; N11-F63 HydrophobicContact CB-CZ 4.33Å; N11-F63 WeakPolarHBondContact ND2-CE1 3.34Å
12P68.9Low63.5Low84 Ų8498 Ų9855%0.54548%0.482SS..Hα-helixtrans-60.7-32.4-176.8-23.531.9000114A16P12-A16 WeakPolarHBondContact O-CB 3.5Å; P12-A16 PolarHBondContact O-N 2.95Å
13F71.4Confident64.4Low76 Ų76100.2 Ų100.233%0.33348%0.484SS..Hα-helixtrans-67.9-47.1176.3172.6-87.7000110.8N11 L15 A16 L17 F59N11-F13 VanDerWaalsContact C-N 3.26Å; N11-F13 PolarHBondContact O-N 3.34Å; N11-F13 VanDerWaalsContact OD1-CA 3.27Å; N11-F13 WeakPolarHBondContact OD1-CA 3.41Å; N11-F13 WeakPolarHBondContact OD1-CB 3.49Å; N11-F13 PolarHBondContact OD1-N 3.12Å; F13-L15 PolarHBondContact O-N 3.37Å; F13-A16 PolarHBondContact O-N 2.78Å; F13-L17 HydrophobicContact CE1-CB 4.39Å; F13-L17 HydrophobicContact CE1-CD2 4.28Å; F13-L17 HydrophobicContact CZ-CB 4.46Å; F13-L17 HydrophobicContact CZ-CD1 4.31Å; F13-L17 WeakPolarHBondContact O-CB 3.09Å; F13-L17 PolarHBondContact O-N 2.89Å; F13-F59 HydrophobicContact CD1-CE2 4.32Å; F13-F59 HydrophobicContact CD1-CZ 4.18Å; F13-F59 HydrophobicContact CD2-CZ 4.36Å; F13-F59 HydrophobicContact CE1-CE1 4.3Å; F13-F59 AromaticContact CE1-CE2 3.85Å; F13-F59 HydrophobicContact CE1-CE2 3.85Å; F13-F59 AromaticContact CE1-CZ 3.32Å; F13-F59 HydrophobicContact CE1-CZ 3.32Å; F13-F59 AromaticContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE2 4.28Å; F13-F59 AromaticContact CE2-CZ 3.53Å; F13-F59 HydrophobicContact CE2-CZ 3.53Å; F13-F59 AromaticContact CZ-CE1 3.53Å; F13-F59 HydrophobicContact CZ-CE1 3.53Å; F13-F59 AromaticContact CZ-CE2 3.87Å; F13-F59 HydrophobicContact CZ-CE2 3.87Å; F13-F59 AromaticContact CZ-CZ 2.97Å; F13-F59 HydrophobicContact CZ-CZ 2.97Å
14Y67.8Low65Low47 Ų4795.8 Ų95.818%0.18446%0.461CS..Hα-helixtrans-62.3-43.6177-170-97.9000111.7L8 L9 N11 L17 Q18L8-Y14 HydrophobicContact CD1-CD2 4.12Å; L8-Y14 HydrophobicContact CD1-CG 4.26Å; L8-Y14 HydrophobicContact CG-CD2 4.26Å; L8-Y14 HydrophobicContact CG-CG 4.32Å; L8-Y14 WeakPolarHBondContact O-CB 3.39Å; L9-Y14 HydrophobicContact CD2-CE1 4.21Å; N11-Y14 PolarHBondContact O-N 2.97Å; N11-Y14 VanDerWaalsContact O-N 3.17Å; N11-Y14 PolarHBondContact OD1-N 2.81Å; Y14-L17 PolarHBondContact O-N 2.9Å; Y14-Q18 WeakPolarHBondContact O-CB 3.43Å; Y14-Q18 PolarHBondContact O-N 2.77Å
15L72.2Confident65.2Low76 Ų7687.7 Ų87.740%0.39843%0.432SS..Hα-helixtrans-63.6-40.8175.1-70.3173.4000112.4L9 K10 N11 F13 Q18 K19L9-L15 WeakPolarHBondContact O-CD2 3.18Å; K10-L15 WeakPolarHBondContact O-CD1 3.48Å; N11-L15 WeakPolarHBondContact O-CG 3.4Å; N11-L15 PolarHBondContact O-N 3.17Å; F13-L15 PolarHBondContact O-N 3.37Å; L15-Q18 PolarHBondContact O-N 3.07Å; L15-K19 VanDerWaalsContact O-CB 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 PolarHBondContact O-N 3.27Å
16A71.4Confident65Low39 Ų3986.7 Ų86.732%0.32243%0.434SS..Hα-helixtrans-66-42.6174.600000111.2P12 F13 Q18 K19 W20P12-A16 WeakPolarHBondContact O-CB 3.5Å; P12-A16 PolarHBondContact O-N 2.95Å; F13-A16 PolarHBondContact O-N 2.78Å; A16-Q18 VanDerWaalsContact C-N 3.35Å; A16-Q18 PolarHBondContact O-N 2.76Å; A16-K19 PolarHBondContact O-N 3.38Å; A16-W20 WeakPolarHBondContact O-CB 3.45Å; A16-W20 PolarHBondContact O-N 3.48Å
17L69.1Low64.6Low44 Ų4487.4 Ų87.423%0.2344%0.436CS..Hα-helixtrans-60.2-45.8175.9-17173.6000110.8F13 Y14 K19 W20 R21F13-L17 HydrophobicContact CE1-CB 4.39Å; F13-L17 HydrophobicContact CE1-CD2 4.28Å; F13-L17 HydrophobicContact CZ-CB 4.46Å; F13-L17 HydrophobicContact CZ-CD1 4.31Å; F13-L17 WeakPolarHBondContact O-CB 3.09Å; F13-L17 PolarHBondContact O-N 2.89Å; Y14-L17 PolarHBondContact O-N 2.9Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.28Å; L17-W20 PolarHBondContact O-N 2.89Å; L17-R21 CarbonylContact O-C 3.56Å; L17-R21 WeakPolarHBondContact O-CA 3.33Å; L17-R21 PolarHBondContact O-N 2.83Å
18Q66.2Low63.7Low99 Ų9988.5 Ų88.546%0.46345%0.446SS..Hα-helixtrans-60.7-41.3176.1-167.9179.115.800112.3Y14 L15 A16 C25Y14-Q18 WeakPolarHBondContact O-CB 3.43Å; Y14-Q18 PolarHBondContact O-N 2.77Å; L15-Q18 PolarHBondContact O-N 3.07Å; A16-Q18 VanDerWaalsContact C-N 3.35Å; A16-Q18 PolarHBondContact O-N 2.76Å; Q18-C25 WeakPolarHBondContact CA-SG 3.37Å; Q18-C25 VanDerWaalsContact CB-SG 3.53Å; Q18-C25 HydrophobicContact CG-CB 4.39Å
19K77.1Confident63Low162 Ų16289 Ų8970%0.70446%0.458SS*.Hα-helixtrans-69.7-45.2178.8-176.2178.7179.8179.60112.8L15 A16 L17L15-K19 VanDerWaalsContact O-CB 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 PolarHBondContact O-N 3.27Å; A16-K19 PolarHBondContact O-N 3.38Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.28Å
20W66.4Low62.4Low194 Ų19491.7 Ų91.774%0.73547%0.468SS*.Hα-helixtrans-93.2-25.9-169.4-70.4109.2000113.7A16 L17A16-W20 WeakPolarHBondContact O-CB 3.45Å; A16-W20 PolarHBondContact O-N 3.48Å; L17-W20 PolarHBondContact O-N 2.89Å
21R64.4Low61.5Low137 Ų13788.7 Ų88.752%0.51746%0.456SS..  trans-139.867.1-178.3-63.4-62.8-63-80.1-1.8110.2L17 D23 L24 C25L17-R21 CarbonylContact O-C 3.56Å; L17-R21 WeakPolarHBondContact O-CA 3.33Å; L17-R21 PolarHBondContact O-N 2.83Å; R21-D23 PolarHBondContact O-N 3.25Å; R21-D23 VanDerWaalsContact O-N 3.15Å; R21-L24 HydrophobicContact CB-CB 4.02Å; R21-L24 HydrophobicContact CB-CD1 4.01Å; R21-L24 HydrophobicContact CG-CD1 4.36Å; R21-L24 VanDerWaalsContact O-CB 3.31Å; R21-L24 WeakPolarHBondContact O-CB 3.38Å; R21-L24 PolarHBondContact O-N 3.3Å; R21-C25 PolarHBondContact O-N 2.8Å
22P64.8Low60.7Low77 Ų7796.7 Ų96.750%0.549%0.493SS..Hα-helixtrans-57.7-31.1-179.823.9-34.1000112.8L24 C25 S26P22-L24 PolarHBondContact O-N 3.27Å; P22-C25 PolarHBondContact O-N 2.79Å; P22-S26 PolarHBondContact O-N 3.49Å; P22-S26 PolarHBondContact O-OG 2.84Å
23D60.3Low60Low115 Ų11596.8 Ų96.862%0.61551%0.509SS*.Hα-helixtrans-59.2-26.5173.7-54.4-94.7000114R21 S26R21-D23 PolarHBondContact O-N 3.25Å; R21-D23 VanDerWaalsContact O-N 3.15Å; D23-S26 PolarHBondContact O-OG 3.48Å
24L54.5Low59.5Low74 Ų7495.5 Ų95.539%0.38751%0.506SS..Hα-helixtrans-85.2-35.6178.4-111.8142.9000111.4R21 P22 S26 K27R21-L24 HydrophobicContact CB-CB 4.02Å; R21-L24 HydrophobicContact CB-CD1 4.01Å; R21-L24 HydrophobicContact CG-CD1 4.36Å; R21-L24 VanDerWaalsContact O-CB 3.31Å; R21-L24 WeakPolarHBondContact O-CB 3.38Å; R21-L24 PolarHBondContact O-N 3.3Å; P22-L24 PolarHBondContact O-N 3.27Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 2.95Å; L24-K27 CarbonylContact O-C 3.33Å; L24-K27 WeakPolarHBondContact O-CA 3.34Å; L24-K27 PolarHBondContact O-N 3.48Å
25C56Low59.2Low23 Ų2396.3 Ų96.316%0.15552%0.522CS..Hα-helixtrans-65.5-32.1175.1-87.40000113.2Q18 R21 P22 K27Q18-C25 WeakPolarHBondContact CA-SG 3.37Å; Q18-C25 VanDerWaalsContact CB-SG 3.53Å; Q18-C25 HydrophobicContact CG-CB 4.39Å; R21-C25 PolarHBondContact O-N 2.8Å; P22-C25 PolarHBondContact O-N 2.79Å; C25-K27 PolarHBondContact O-N 2.88Å
26S49.6Very low59.3Low98 Ų9895.3 Ų95.369%0.68552%0.519SS*.THydrogen-bonded Turntrans-73.1-11170.951.70000114P22 D23 L24P22-S26 PolarHBondContact O-N 3.49Å; P22-S26 PolarHBondContact O-OG 2.84Å; D23-S26 PolarHBondContact O-OG 3.48Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 2.95Å
27K47.7Very low59.5Low111 Ų11197.2 Ų97.248%0.48353%0.526SS..THydrogen-bonded Turntrans-112.745-178.9-81.8-177.4165.3-166.20111.4L24 C25 A29L24-K27 CarbonylContact O-C 3.33Å; L24-K27 WeakPolarHBondContact O-CA 3.34Å; L24-K27 PolarHBondContact O-N 3.48Å; C25-K27 PolarHBondContact O-N 2.88Å; K27-A29 PolarHBondContact O-N 3.37Å
28V46.7Very low60.1Low108 Ų10899.6 Ų99.666%0.65554%0.538SS*.  trans-68.294.8158.4179.60000106.1Q30V28-Q30 PolarHBondContact O-N 2.97Å
29A48.5Very low60.6Low69 Ų69100.1 Ų100.157%0.5754%0.541SS*.  trans-68.899.1-176.900000109.2K27 I31K27-A29 PolarHBondContact O-N 3.37Å; A29-I31 HydrophobicContact CB-CG1 4.39Å; A29-I31 PolarHBondContact O-N 3.46Å
30Q48.3Very low61Low173 Ų17395.8 Ų95.881%0.80854%0.542SS*.  trans-80.2100.5162.5-166.1172.776.800106.9V28 H32V28-Q30 PolarHBondContact O-N 2.97Å; Q30-H32 PolarHBondContact O-N 2.92Å
31I53.2Low61.7Low48 Ų4891.7 Ų91.725%0.24653%0.534CS..  trans-77.4118.5-178-68.8-176.4000108.9A29 G33 I34 V36 F49 L80A29-I31 HydrophobicContact CB-CG1 4.39Å; A29-I31 PolarHBondContact O-N 3.46Å; I31-G33 VanDerWaalsContact C-N 3.3Å; I31-G33 PolarHBondContact O-N 2.84Å; I31-I34 HydrophobicContact CG2-CB 3.43Å; I31-I34 VanDerWaalsContact CG2-CB 3.43Å; I31-I34 HydrophobicContact CG2-CD1 3.83Å; I31-I34 HydrophobicContact CG2-CG1 3.61Å; I31-V36 HydrophobicContact CD1-CG2 3.9Å; I31-F49 HydrophobicContact CD1-CZ 4.16Å; I31-F49 HydrophobicContact CG2-CZ 4.36Å; I31-L80 HydrophobicContact CD1-CD1 3.58Å
32H50.3Low62.5Low176 Ų17689.6 Ų89.682%0.81553%0.526SS*.SBendtrans-61.874-177.6-73.4-95.5000113.4Q30 I34Q30-H32 PolarHBondContact O-N 2.92Å; H32-I34 PolarHBondContact O-N 3.44Å
33G53.7Low63.4Low86 Ų8686.4 Ų86.489%0.88751%0.505SS*.SBendtrans67.616172.600000115.2I31I31-G33 VanDerWaalsContact C-N 3.3Å; I31-G33 PolarHBondContact O-N 2.84Å
34I62.2Low64.3Low50 Ų5084.5 Ų84.526%0.25649%0.491SS..  trans-89133.7-180-40.5176.9000109.7I31 H32 V36 F49I31-I34 HydrophobicContact CG2-CB 3.43Å; I31-I34 VanDerWaalsContact CG2-CB 3.43Å; I31-I34 HydrophobicContact CG2-CD1 3.83Å; I31-I34 HydrophobicContact CG2-CG1 3.61Å; H32-I34 PolarHBondContact O-N 3.44Å; I34-V36 PolarHBondContact O-N 2.82Å; I34-F49 HydrophobicContact CB-CE2 3.86Å; I34-F49 HydrophobicContact CD1-CD2 4.3Å; I34-F49 HydrophobicContact CD1-CE1 4.35Å; I34-F49 HydrophobicContact CD1-CE2 3.71Å; I34-F49 HydrophobicContact CD1-CZ 3.73Å; I34-F49 HydrophobicContact CG1-CE2 4.38Å; I34-F49 HydrophobicContact CG2-CD2 3.58Å; I34-F49 HydrophobicContact CG2-CE2 3.36Å; I34-F49 HydrophobicContact CG2-CZ 4.41Å
35A61.4Low65.3Low63 Ų6381.2 Ų81.252%0.52147%0.474SS..  trans-71.5113.8178.500000110.8G46A35-G46 WeakPolarHBondContact O-CA 3.29Å; A35-G46 PolarHBondContact O-N 3.43Å; A35-G46 VanDerWaalsContact O-N 3.07Å
36V73.4Confident65.7Low56 Ų5681 Ų8134%0.33948%0.476SS..EExtended strand (participates in β ladder)trans-103.3127.3172.3-177.90000108I31 I34 I43 L45I31-V36 HydrophobicContact CD1-CG2 3.9Å; I34-V36 PolarHBondContact O-N 2.82Å; V36-I43 HydrophobicContact CG1-CG2 3.22Å; V36-L45 HydrophobicContact CG1-CD2 4.47Å; V36-L45 HydrophobicContact CG2-CD2 4.18Å
37V76.4Confident66.1Low79 Ų7981.1 Ų81.148%0.47948%0.483SS..EExtended strand (participates in β ladder)trans-109.7129.1179.8-176.70000109K44V37-K44 PolarHBondContact N-O 2.77Å; V37-K44 PolarHBondContact O-N 2.94Å
38I80.3Confident66.7Low94 Ų9479 Ų7948%0.48249%0.493SS..EExtended strand (participates in β ladder)trans-93.5120.1171.7-58.3168.2000107.4I57 L74I38-I57 HydrophobicContact CG2-CD1 3.88Å; I38-L74 HydrophobicContact CD1-CD1 3.58Å; I38-L74 HydrophobicContact CG1-CD1 4.27Å
39E78.4Confident67.4Low110 Ų11075.8 Ų75.851%0.51447%0.47SS..EExtended strand (participates in β ladder)trans-122.5101.2175.8-168.9-171.993.700108.9N41 R42 K44E39-N41 PolarHBondContact O-N 2.8Å; E39-R42 PolarHBondContact N-O 3.24Å; E39-R42 PolarHBondContact O-N 2.79Å; E39-K44 HydrophobicContact CB-CD 4.29Å; E39-K44 WeakPolarHBondContact OE1-CE 3.47Å; E39-K44 IonicContact OE1-NZ 2.62Å; E39-K44 PolarHBondContact OE1-NZ 3.15Å; E39-K44 WeakPolarHBondContact OE2-CE 3.41Å; E39-K44 IonicContact OE2-NZ 2.7Å; E39-K44 PolarHBondContact OE2-NZ 3.42Å
40G83.6Confident67.9Low71 Ų7178.2 Ų78.273%0.73249%0.49SS*.THydrogen-bonded Turntrans62.8-126.2-172.700000111.3R42G40-R42 VanDerWaalsContact C-N 3.3Å; G40-R42 PolarHBondContact O-N 3.26Å
41N82.8Confident68.5Low108 Ų10872.5 Ų72.558%0.57847%0.469SS*.THydrogen-bonded Turntrans-92.523.3178.774.1-15.4000113.4E39 I57E39-N41 PolarHBondContact O-N 2.8Å; N41-I57 PolarHBondContact O-N 3.26Å
42R80.9Confident68.9Low92 Ų9277.6 Ų77.635%0.34750%0.495SS..EExtended strand (participates in β ladder)trans-132.3140.9-175.8-49.9-175.566.883.93.3110.8E39 G40 S54 V55E39-R42 PolarHBondContact N-O 3.24Å; E39-R42 PolarHBondContact O-N 2.79Å; G40-R42 VanDerWaalsContact C-N 3.3Å; G40-R42 PolarHBondContact O-N 3.26Å; R42-S54 PolarHBondContact NE-OG 2.7Å; R42-S54 PolarHBondContact NH2-O 2.62Å; R42-S54 PolarHBondContact NH2-OG 2.9Å; R42-V55 CarbonylContact C-O 3.56Å; R42-V55 WeakPolarHBondContact CA-O 3.42Å
43I84.1Confident70Confident10 Ų1071 Ų715%0.05147%0.466CS..EExtended strand (participates in β ladder)trans-88.1127.3166.2-61.8-161.4000108.5V36 L45 S54 V55 I57 L74 I76 L80V36-I43 HydrophobicContact CG1-CG2 3.22Å; I43-L45 HydrophobicContact CG2-CD2 4.35Å; I43-S54 CarbonylContact O-C 3.46Å; I43-S54 WeakPolarHBondContact O-CA 3.38Å; I43-V55 PolarHBondContact N-O 3.21Å; I43-V55 PolarHBondContact O-N 3.44Å; I43-I57 HydrophobicContact CD1-CG1 4.39Å; I43-I57 HydrophobicContact CG1-CD1 3.91Å; I43-I57 HydrophobicContact CG1-CG1 3.73Å; I43-L74 HydrophobicContact CD1-CD1 3.94Å; I43-I76 HydrophobicContact CD1-CG2 3.46Å; I43-I76 VanDerWaalsContact CD1-CG2 3.46Å; I43-I76 HydrophobicContact CG1-CG2 3.99Å; I43-L80 HydrophobicContact CB-CD2 4.49Å; I43-L80 HydrophobicContact CG2-CD2 3.94Å
44K77.6Confident71.2Confident75 Ų7568.7 Ų68.733%0.32644%0.436SS..EExtended strand (participates in β ladder)trans-109.7129168.7-68.1-174.4-179.8178.50109.4V37 E39V37-K44 PolarHBondContact N-O 2.77Å; V37-K44 PolarHBondContact O-N 2.94Å; E39-K44 HydrophobicContact CB-CD 4.29Å; E39-K44 WeakPolarHBondContact OE1-CE 3.47Å; E39-K44 IonicContact OE1-NZ 2.62Å; E39-K44 PolarHBondContact OE1-NZ 3.15Å; E39-K44 WeakPolarHBondContact OE2-CE 3.41Å; E39-K44 IonicContact OE2-NZ 2.7Å; E39-K44 PolarHBondContact OE2-NZ 3.42Å
45L75.6Confident72.3Confident5 Ų566.3 Ų66.33%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-82.1124.8174.6-62.9-177.4000110.1V36 I43 F49 L53 L80V36-L45 HydrophobicContact CG1-CD2 4.47Å; V36-L45 HydrophobicContact CG2-CD2 4.18Å; I43-L45 HydrophobicContact CG2-CD2 4.35Å; L45-F49 HydrophobicContact CB-CB 4.2Å; L45-F49 HydrophobicContact CB-CD2 3.59Å; L45-F49 HydrophobicContact CB-CE2 4.1Å; L45-F49 HydrophobicContact CB-CG 3.91Å; L45-F49 HydrophobicContact CD1-CB 4.37Å; L45-F49 HydrophobicContact CD1-CD1 3.64Å; L45-F49 HydrophobicContact CD1-CD2 3.94Å; L45-F49 HydrophobicContact CD1-CE1 3.81Å; L45-F49 HydrophobicContact CD1-CE2 4.08Å; L45-F49 HydrophobicContact CD1-CG 3.71Å; L45-F49 HydrophobicContact CD1-CZ 4.02Å; L45-F49 HydrophobicContact CD2-CD2 3.99Å; L45-F49 HydrophobicContact CD2-CE2 3.57Å; L45-F49 HydrophobicContact CD2-CZ 3.88Å; L45-F49 HydrophobicContact CG-CD2 4.04Å; L45-F49 HydrophobicContact CG-CE2 4.12Å; L45-F49 HydrophobicContact CG-CG 4.27Å; L45-F49 HydrophobicContact CG-CZ 4.45Å; L45-L53 HydrophobicContact CD1-CB 3.85Å; L45-L53 HydrophobicContact CD1-CD1 4.26Å; L45-L53 HydrophobicContact CG-CB 4.4Å; L45-L53 PolarHBondContact N-O 2.99Å; L45-L53 VanDerWaalsContact N-O 3.13Å; L45-L80 HydrophobicContact CD1-CB 3.81Å; L45-L80 HydrophobicContact CD1-CD2 4.04Å; L45-L80 HydrophobicContact CD1-CG 4.47Å; L45-L80 VanDerWaalsContact CD1-O 3.23Å; L45-L80 WeakPolarHBondContact CD1-O 3.48Å; L45-L80 HydrophobicContact CD2-CB 4.11Å; L45-L80 HydrophobicContact CD2-CD1 4.05Å; L45-L80 HydrophobicContact CD2-CD2 3.69Å; L45-L80 HydrophobicContact CD2-CG 4.13Å; L45-L80 HydrophobicContact CG-CB 4.49Å; L45-L80 HydrophobicContact CG-CD2 3.99Å
46G65.1Low73.2Confident19 Ų1965 Ų6520%0.19641%0.41CS..  trans-85.1-167.3179.300000113.7A35 G48A35-G46 WeakPolarHBondContact O-CA 3.29Å; A35-G46 PolarHBondContact O-N 3.43Å; A35-G46 VanDerWaalsContact O-N 3.07Å; G46-G48 PolarHBondContact O-N 2.9Å
47A58.3Low73.8Confident101 Ų10163.6 Ų63.684%0.83540%0.4SS*.THydrogen-bonded Turntrans-55.6125.817900000111.3
48G59Low74.1Confident66 Ų6665 Ų6568%0.6841%0.405SS*.THydrogen-bonded Turntrans126.3-20.1-175.900000114G46G46-G48 PolarHBondContact O-N 2.9Å
49F62.3Low74.2Confident41 Ų4163.9 Ų63.918%0.1840%0.396CS..SBendtrans-91.9138.8167.2-73.7-89.3000110.8I31 I34 L45 C51 E81I31-F49 HydrophobicContact CD1-CZ 4.16Å; I31-F49 HydrophobicContact CG2-CZ 4.36Å; I34-F49 HydrophobicContact CB-CE2 3.86Å; I34-F49 HydrophobicContact CD1-CD2 4.3Å; I34-F49 HydrophobicContact CD1-CE1 4.35Å; I34-F49 HydrophobicContact CD1-CE2 3.71Å; I34-F49 HydrophobicContact CD1-CZ 3.73Å; I34-F49 HydrophobicContact CG1-CE2 4.38Å; I34-F49 HydrophobicContact CG2-CD2 3.58Å; I34-F49 HydrophobicContact CG2-CE2 3.36Å; I34-F49 HydrophobicContact CG2-CZ 4.41Å; L45-F49 HydrophobicContact CB-CB 4.2Å; L45-F49 HydrophobicContact CB-CD2 3.59Å; L45-F49 HydrophobicContact CB-CE2 4.1Å; L45-F49 HydrophobicContact CB-CG 3.91Å; L45-F49 HydrophobicContact CD1-CB 4.37Å; L45-F49 HydrophobicContact CD1-CD1 3.64Å; L45-F49 HydrophobicContact CD1-CD2 3.94Å; L45-F49 HydrophobicContact CD1-CE1 3.81Å; L45-F49 HydrophobicContact CD1-CE2 4.08Å; L45-F49 HydrophobicContact CD1-CG 3.71Å; L45-F49 HydrophobicContact CD1-CZ 4.02Å; L45-F49 HydrophobicContact CD2-CD2 3.99Å; L45-F49 HydrophobicContact CD2-CE2 3.57Å; L45-F49 HydrophobicContact CD2-CZ 3.88Å; L45-F49 HydrophobicContact CG-CD2 4.04Å; L45-F49 HydrophobicContact CG-CE2 4.12Å; L45-F49 HydrophobicContact CG-CG 4.27Å; L45-F49 HydrophobicContact CG-CZ 4.45Å; F49-C51 WeakPolarHBondContact CB-O 3.45Å; F49-C51 PolarHBondContact O-N 3.47Å; F49-C51 VanDerWaalsContact O-N 3.08Å; F49-E81 HydrophobicContact CE1-CG 3.99Å
50A58.6Low74.4Confident120 Ų12064.1 Ų64.199%0.99240%0.398SS*.SBendtrans-64.3-9.6172.800000113.1
51C60.1Low74.2Confident53 Ų5363.6 Ų63.636%0.35838%0.376SS..SBendtrans-141130.4-178-166.50000111.1F49 L53F49-C51 WeakPolarHBondContact CB-O 3.45Å; F49-C51 PolarHBondContact O-N 3.47Å; F49-C51 VanDerWaalsContact O-N 3.08Å; C51-L53 VanDerWaalsContact C-N 3.32Å; C51-L53 HydrophobicContact CB-CD1 4.49Å; C51-L53 HydrophobicContact CB-CG 4.12Å; C51-L53 PolarHBondContact O-N 2.86Å
52L63.5Low74Confident154 Ų15461.5 Ų61.581%0.80637%0.367SS*.  trans-7386.6168.9-67.7170.9000109
53L72.1Confident73.9Confident37 Ų3758.1 Ų58.119%0.19436%0.355CS..  trans-92133176-66.8169.7000110.2L45 C51 V55 L80L45-L53 HydrophobicContact CD1-CB 3.85Å; L45-L53 HydrophobicContact CD1-CD1 4.26Å; L45-L53 HydrophobicContact CG-CB 4.4Å; L45-L53 PolarHBondContact N-O 2.99Å; L45-L53 VanDerWaalsContact N-O 3.13Å; C51-L53 VanDerWaalsContact C-N 3.32Å; C51-L53 HydrophobicContact CB-CD1 4.49Å; C51-L53 HydrophobicContact CB-CG 4.12Å; C51-L53 PolarHBondContact O-N 2.86Å; L53-V55 HydrophobicContact CB-CG2 4.43Å; L53-L80 WeakPolarHBondContact CD1-O 3.36Å
54S79Confident73.5Confident38 Ų3864.7 Ų64.727%0.26638%0.38SS..EExtended strand (participates in β ladder)trans-112.1110.4169.8-174.40000109.3R42 I43R42-S54 PolarHBondContact NE-OG 2.7Å; R42-S54 PolarHBondContact NH2-O 2.62Å; R42-S54 PolarHBondContact NH2-OG 2.9Å; I43-S54 CarbonylContact O-C 3.46Å; I43-S54 WeakPolarHBondContact O-CA 3.38Å
55V84.8Confident73.3Confident0 Ų063.8 Ų63.80%038%0.379CS..EExtended strand (participates in β ladder)trans-108.8126.9-173.5-1680000110.3R42 I43 L53 I76 A77 H78 L80R42-V55 CarbonylContact C-O 3.56Å; R42-V55 WeakPolarHBondContact CA-O 3.42Å; I43-V55 PolarHBondContact N-O 3.21Å; I43-V55 PolarHBondContact O-N 3.44Å; L53-V55 HydrophobicContact CB-CG2 4.43Å; V55-I76 HydrophobicContact CG1-CB 3.76Å; V55-I76 HydrophobicContact CG1-CD1 4.36Å; V55-I76 HydrophobicContact CG1-CG1 4.39Å; V55-A77 HydrophobicContact CG1-CB 4.44Å; V55-H78 WeakPolarHBondContact CG1-O 3.46Å; V55-H78 WeakPolarHBondContact CG2-CE1 3.23Å; V55-L80 HydrophobicContact CB-CD2 4.08Å; V55-L80 HydrophobicContact CG2-CD2 3.39Å
56P81.9Confident73.4Confident35 Ų3573.3 Ų73.323%0.22742%0.423CS..EExtended strand (participates in β ladder)trans-61.3135.7173.5-16.426.1000112.1I76 A77P56-I76 WeakPolarHBondContact O-CA 3.21Å; P56-A77 HydrophobicContact CB-CB 4.12Å; P56-A77 HydrophobicContact CG-CB 4.03Å; P56-A77 PolarHBondContact O-N 3.04Å
57I84.7Confident74.3Confident27 Ų2780.1 Ų80.114%0.13845%0.447CS..EExtended strand (participates in β ladder)trans-82.7123.3165.5-59.8169.3000107I38 N41 I43 F59 L74 C75 I76I38-I57 HydrophobicContact CG2-CD1 3.88Å; N41-I57 PolarHBondContact O-N 3.26Å; I43-I57 HydrophobicContact CD1-CG1 4.39Å; I43-I57 HydrophobicContact CG1-CD1 3.91Å; I43-I57 HydrophobicContact CG1-CG1 3.73Å; I57-F59 WeakPolarHBondContact CG2-O 3.42Å; I57-L74 HydrophobicContact CD1-CD1 4.25Å; I57-L74 HydrophobicContact CD1-CD2 4.39Å; I57-L74 HydrophobicContact CG2-CD2 4.15Å; I57-C75 CarbonylContact C-O 3.38Å; I57-C75 WeakPolarHBondContact CA-O 3.45Å; I57-I76 HydrophobicContact CG1-CG2 4.35Å
58L83Confident75.3Confident110 Ų11083.7 Ų83.758%0.57645%0.447SS*.EExtended strand (participates in β ladder)trans-85-39.5179.2-60-176.7000111.1C75 A77L58-C75 PolarHBondContact N-O 3.19Å; L58-A77 HydrophobicContact CD1-CB 4.45Å; L58-A77 HydrophobicContact CD2-CB 4Å; L58-A77 HydrophobicContact CG-CB 4.26Å
59F83.1Confident76.3Confident69 Ų6985.1 Ų85.130%0.30344%0.436SS..EExtended strand (participates in β ladder)trans-160161.7170.369.3-91.3000110.4F13 I57 C75F13-F59 HydrophobicContact CD1-CE2 4.32Å; F13-F59 HydrophobicContact CD1-CZ 4.18Å; F13-F59 HydrophobicContact CD2-CZ 4.36Å; F13-F59 HydrophobicContact CE1-CE1 4.3Å; F13-F59 AromaticContact CE1-CE2 3.85Å; F13-F59 HydrophobicContact CE1-CE2 3.85Å; F13-F59 AromaticContact CE1-CZ 3.32Å; F13-F59 HydrophobicContact CE1-CZ 3.32Å; F13-F59 AromaticContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE2 4.28Å; F13-F59 AromaticContact CE2-CZ 3.53Å; F13-F59 HydrophobicContact CE2-CZ 3.53Å; F13-F59 AromaticContact CZ-CE1 3.53Å; F13-F59 HydrophobicContact CZ-CE1 3.53Å; F13-F59 AromaticContact CZ-CE2 3.87Å; F13-F59 HydrophobicContact CZ-CE2 3.87Å; F13-F59 AromaticContact CZ-CZ 2.97Å; F13-F59 HydrophobicContact CZ-CZ 2.97Å; I57-F59 WeakPolarHBondContact CG2-O 3.42Å; F59-C75 HydrophobicContact CD1-CB 3.48Å; F59-C75 VanDerWaalsContact CD1-CB 3.48Å; F59-C75 HydrophobicContact CD2-CB 4.32Å; F59-C75 HydrophobicContact CE1-CB 2.98Å; F59-C75 WeakPolarHBondContact CE1-SG 3.44Å; F59-C75 HydrophobicContact CE2-CB 3.9Å; F59-C75 HydrophobicContact CG-CB 4.09Å; F59-C75 HydrophobicContact CZ-CB 3.15Å; F59-C75 PolarHBondContact O-N 3.48Å
60E81.9Confident77.1Confident115 Ų11586.6 Ų86.654%0.53745%0.451SS..EExtended strand (participates in β ladder)trans-122.9137.2172174.2175.871.100108.4I73 L74E60-I73 WeakPolarHBondContact CA-O 3.36Å; E60-L74 HydrophobicContact CB-CD2 3.58Å; E60-L74 HydrophobicContact CG-CD2 3.6Å; E60-L74 WeakPolarHBondContact OE2-CD2 3.4Å
61E79.3Confident77.9Confident61 Ų6186.4 Ų86.429%0.28543%0.428SS..EExtended strand (participates in β ladder)trans-129.7125.6172.4-168.6165.848.700109.8F63 S72 I73E61-F63 HydrophobicContact CB-CE2 3.77Å; E61-F63 HydrophobicContact CB-CZ 4.27Å; E61-F63 HydrophobicContact CG-CD2 4.34Å; E61-F63 HydrophobicContact CG-CE1 4.44Å; E61-F63 HydrophobicContact CG-CE2 3.54Å; E61-F63 HydrophobicContact CG-CZ 3.63Å; E61-F63 WeakPolarHBondContact O-CD2 3.28Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.42Å; E61-S72 CarbonylContact O-C 3.58Å; E61-S72 WeakPolarHBondContact O-CA 3.47Å; E61-I73 PolarHBondContact N-O 2.81Å; E61-I73 PolarHBondContact O-N 3.13Å
62T79.8Confident78.7Confident63 Ų6386.9 Ų86.939%0.38743%0.433SS..EExtended strand (participates in β ladder)trans-97.5128.5-179.8-54.20000110.3Y64 F71 S72T62-Y64 HydrophobicContact CG2-CE2 4.25Å; T62-F71 WeakPolarHBondContact CA-O 3.36Å; T62-S72 PolarHBondContact OG1-OG 3.29Å
63F77.2Confident79.4Confident21 Ų2182.4 Ų82.49%0.09241%0.409CS..EExtended strand (participates in β ladder)trans-116.6151.6178.8-65.5-89.4000110.1L8 N11 E61 S70 F71 I73L8-F63 HydrophobicContact CD1-CD1 4.02Å; L8-F63 HydrophobicContact CD1-CD2 4.19Å; L8-F63 HydrophobicContact CD1-CE1 3.63Å; L8-F63 HydrophobicContact CD1-CE2 3.82Å; L8-F63 HydrophobicContact CD1-CG 4.26Å; L8-F63 HydrophobicContact CD1-CZ 3.5Å; L8-F63 VanDerWaalsContact CD1-CZ 3.5Å; N11-F63 HydrophobicContact CB-CE1 3.83Å; N11-F63 HydrophobicContact CB-CZ 4.33Å; N11-F63 WeakPolarHBondContact ND2-CE1 3.34Å; E61-F63 HydrophobicContact CB-CE2 3.77Å; E61-F63 HydrophobicContact CB-CZ 4.27Å; E61-F63 HydrophobicContact CG-CD2 4.34Å; E61-F63 HydrophobicContact CG-CE1 4.44Å; E61-F63 HydrophobicContact CG-CE2 3.54Å; E61-F63 HydrophobicContact CG-CZ 3.63Å; E61-F63 WeakPolarHBondContact O-CD2 3.28Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.42Å; F63-S70 CarbonylContact O-C 3.59Å; F63-S70 WeakPolarHBondContact O-CA 3.42Å; F63-F71 PolarHBondContact N-O 3.34Å; F63-F71 PolarHBondContact O-N 2.92Å; F63-I73 HydrophobicContact CD2-CB 4.5Å; F63-I73 HydrophobicContact CD2-CD1 3.9Å; F63-I73 HydrophobicContact CD2-CG1 3.95Å; F63-I73 HydrophobicContact CE2-CB 4.14Å; F63-I73 HydrophobicContact CE2-CD1 3.62Å; F63-I73 HydrophobicContact CE2-CG1 3.9Å; F63-I73 HydrophobicContact CZ-CD1 4.39Å
64Y76.6Confident79.7Confident149 Ų14983 Ų8358%0.58441%0.412SS*.EExtended strand (participates in β ladder)trans-115.4138.6173.4-64.9-95.7000108.9T62 E69T62-Y64 HydrophobicContact CG2-CE2 4.25Å; Y64-E69 CarbonylContact C-O 3.42Å; Y64-E69 WeakPolarHBondContact CA-O 3.18Å
65N73.6Confident79.7Confident56 Ų5682.7 Ų82.730%0.29941%0.41SS..  trans-87.5178.5171.575.54.2000111.4K67 E68 E69 F71N65-K67 PolarHBondContact O-N 3.38Å; N65-K67 VanDerWaalsContact O-N 3.08Å; N65-K67 WeakPolarHBondContact OD1-CA 3.3Å; N65-K67 WeakPolarHBondContact OD1-CB 3.32Å; N65-K67 PolarHBondContact OD1-N 3.32Å; N65-E68 PolarHBondContact O-N 2.91Å; N65-E68 PolarHBondContact OD1-N 2.97Å; N65-E69 PolarHBondContact N-O 2.8Å; N65-E69 PolarHBondContact ND2-OE2 2.98Å; N65-E69 WeakPolarHBondContact OD1-CB 3.5Å; N65-E69 PolarHBondContact OD1-N 3.07Å; N65-E69 PolarHBondContact OD1-O 3.04Å; N65-F71 HydrophobicContact CB-CE2 3.92Å; N65-F71 WeakPolarHBondContact ND2-CE2 3.35Å
66E77.8Confident79.5Confident204 Ų20484.8 Ų84.895%0.95342%0.42SS*.THydrogen-bonded Turntrans-62.4-14.5178.8-59177.2105.800114.3
67K83.4Confident79.4Confident162 Ų16285.5 Ų85.570%0.70443%0.429SS*.THydrogen-bonded Turntrans-97.211.5176.3-59.6179.7-178.1174.30112.6N65 E69N65-K67 PolarHBondContact O-N 3.38Å; N65-K67 VanDerWaalsContact O-N 3.08Å; N65-K67 WeakPolarHBondContact OD1-CA 3.3Å; N65-K67 WeakPolarHBondContact OD1-CB 3.32Å; N65-K67 PolarHBondContact OD1-N 3.32Å; K67-E69 HydrophobicContact CB-CG 4.07Å; K67-E69 PolarHBondContact O-N 3.24Å
68E80.1Confident79.2Confident176 Ų17688.1 Ų88.182%0.82244%0.44SS*.SBendtrans6317.8-175.2-50.9179.891.600113.5N65N65-E68 PolarHBondContact O-N 2.91Å; N65-E68 PolarHBondContact OD1-N 2.97Å
69E79.1Confident78.8Confident96 Ų9686.9 Ų86.945%0.44944%0.439SS..  trans-83130.7174.5-56.1172.810700109.6Y64 N65 K67 F71Y64-E69 CarbonylContact C-O 3.42Å; Y64-E69 WeakPolarHBondContact CA-O 3.18Å; N65-E69 PolarHBondContact N-O 2.8Å; N65-E69 PolarHBondContact ND2-OE2 2.98Å; N65-E69 WeakPolarHBondContact OD1-CB 3.5Å; N65-E69 PolarHBondContact OD1-N 3.07Å; N65-E69 PolarHBondContact OD1-O 3.04Å; K67-E69 HydrophobicContact CB-CG 4.07Å; K67-E69 PolarHBondContact O-N 3.24Å; E69-F71 HydrophobicContact CB-CE2 3.92Å; E69-F71 HydrophobicContact CB-CZ 4.18Å; E69-F71 WeakPolarHBondContact O-CE2 3.31Å
70S79.1Confident78.3Confident72 Ų7284.5 Ų84.550%0.50343%0.429SS..EExtended strand (participates in β ladder)trans-91.2138.1179.863.40000112.8F63F63-S70 CarbonylContact O-C 3.59Å; F63-S70 WeakPolarHBondContact O-CA 3.42Å
71F76.4Confident77.7Confident116 Ų11685.6 Ų85.651%0.50944%0.435SS..EExtended strand (participates in β ladder)trans-127.3133.6172-56.1-92000109.5T62 F63 N65 E69T62-F71 WeakPolarHBondContact CA-O 3.36Å; F63-F71 PolarHBondContact N-O 3.34Å; F63-F71 PolarHBondContact O-N 2.92Å; N65-F71 HydrophobicContact CB-CE2 3.92Å; N65-F71 WeakPolarHBondContact ND2-CE2 3.35Å; E69-F71 HydrophobicContact CB-CE2 3.92Å; E69-F71 HydrophobicContact CB-CZ 4.18Å; E69-F71 WeakPolarHBondContact O-CE2 3.31Å
72S75.4Confident76.8Confident64 Ų6492.7 Ų92.745%0.44846%0.459SS..EExtended strand (participates in β ladder)trans-98.9129.8173.3-67.10000110.8E61 T62E61-S72 CarbonylContact O-C 3.58Å; E61-S72 WeakPolarHBondContact O-CA 3.47Å; T62-S72 PolarHBondContact OG1-OG 3.29Å
73I78.4Confident75.6Confident60 Ų6099.6 Ų99.631%0.30848%0.478SS..EExtended strand (participates in β ladder)trans-97.3124.2168-61-176000108.1L8 E60 E61 F63L8-I73 HydrophobicContact CD1-CD1 3.38Å; L8-I73 HydrophobicContact CD2-CD1 3.78Å; L8-I73 HydrophobicContact CG-CD1 4.24Å; E60-I73 WeakPolarHBondContact CA-O 3.36Å; E61-I73 PolarHBondContact N-O 2.81Å; E61-I73 PolarHBondContact O-N 3.13Å; F63-I73 HydrophobicContact CD2-CB 4.5Å; F63-I73 HydrophobicContact CD2-CD1 3.9Å; F63-I73 HydrophobicContact CD2-CG1 3.95Å; F63-I73 HydrophobicContact CE2-CB 4.14Å; F63-I73 HydrophobicContact CE2-CD1 3.62Å; F63-I73 HydrophobicContact CE2-CG1 3.9Å; F63-I73 HydrophobicContact CZ-CD1 4.39Å
74L79.1Confident74.1Confident48 Ų48107.9 Ų107.925%0.25152%0.517SS..EExtended strand (participates in β ladder)trans-105.1125.6177.3-60176.7000110.2I38 I43 I57 E60I38-L74 HydrophobicContact CD1-CD1 3.58Å; I38-L74 HydrophobicContact CG1-CD1 4.27Å; I43-L74 HydrophobicContact CD1-CD1 3.94Å; I57-L74 HydrophobicContact CD1-CD1 4.25Å; I57-L74 HydrophobicContact CD1-CD2 4.39Å; I57-L74 HydrophobicContact CG2-CD2 4.15Å; E60-L74 HydrophobicContact CB-CD2 3.58Å; E60-L74 HydrophobicContact CG-CD2 3.6Å; E60-L74 WeakPolarHBondContact OE2-CD2 3.4Å
75C78.9Confident72.4Confident33 Ų33110.7 Ų110.722%0.22355%0.55CS..EExtended strand (participates in β ladder)trans-92.6131.9165.6-176.40000110.2I57 L58 F59I57-C75 CarbonylContact C-O 3.38Å; I57-C75 WeakPolarHBondContact CA-O 3.45Å; L58-C75 PolarHBondContact N-O 3.19Å; F59-C75 HydrophobicContact CD1-CB 3.48Å; F59-C75 VanDerWaalsContact CD1-CB 3.48Å; F59-C75 HydrophobicContact CD2-CB 4.32Å; F59-C75 HydrophobicContact CE1-CB 2.98Å; F59-C75 WeakPolarHBondContact CE1-SG 3.44Å; F59-C75 HydrophobicContact CE2-CB 3.9Å; F59-C75 HydrophobicContact CG-CB 4.09Å; F59-C75 HydrophobicContact CZ-CB 3.15Å; F59-C75 PolarHBondContact O-N 3.48Å
76I81.4Confident72.4Confident44 Ų44113.5 Ų113.523%0.22656%0.562CS.*EExtended strand (participates in β ladder)trans-121.8148.4-176.458.7174.4000111.8I43 V55 P56 I57 H78 L80I43-I76 HydrophobicContact CD1-CG2 3.46Å; I43-I76 VanDerWaalsContact CD1-CG2 3.46Å; I43-I76 HydrophobicContact CG1-CG2 3.99Å; V55-I76 HydrophobicContact CG1-CB 3.76Å; V55-I76 HydrophobicContact CG1-CD1 4.36Å; V55-I76 HydrophobicContact CG1-CG1 4.39Å; P56-I76 WeakPolarHBondContact O-CA 3.21Å; I57-I76 HydrophobicContact CG1-CG2 4.35Å; I76-H78 VanDerWaalsContact C-N 3.28Å; I76-H78 WeakPolarHBondContact CD1-O 3.32Å; I76-H78 PolarHBondContact O-N 3.17Å; I76-L80 HydrophobicContact CD1-CD1 3.89Å; I76-L80 HydrophobicContact CD1-CD2 3.86Å; I76-L80 HydrophobicContact CD1-CG 3.56Å
77A79.6Confident72.1Confident50 Ų50108.7 Ų108.741%0.41354%0.542SS..SBendtrans-63.8-29.1-171.500000114.5V55 P56 L58V55-A77 HydrophobicContact CG1-CB 4.44Å; P56-A77 HydrophobicContact CB-CB 4.12Å; P56-A77 HydrophobicContact CG-CB 4.03Å; P56-A77 PolarHBondContact O-N 3.04Å; L58-A77 HydrophobicContact CD1-CB 4.45Å; L58-A77 HydrophobicContact CD2-CB 4Å; L58-A77 HydrophobicContact CG-CB 4.26Å
78H80.2Confident71.5Confident81 Ų81105.7 Ų105.738%0.37553%0.533SS..SBendtrans-152.5160.3177.454.681.8000111.6V55 I76V55-H78 WeakPolarHBondContact CG1-O 3.46Å; V55-H78 WeakPolarHBondContact CG2-CE1 3.23Å; I76-H78 VanDerWaalsContact C-N 3.28Å; I76-H78 WeakPolarHBondContact CD1-O 3.32Å; I76-H78 PolarHBondContact O-N 3.17Å
79P74.4Confident71Confident84 Ų84101.6 Ų101.655%0.54552%0.516SS..  trans-56.6149.4177.6-24.534.7000112.9
80L73.2Confident70.5Confident19 Ų19101.9 Ų101.910%0.09952%0.52CS..SBendtrans-79.3-20.3177.6-63.6169.1000112.4I31 I43 L45 L53 V55 I76I31-L80 HydrophobicContact CD1-CD1 3.58Å; I43-L80 HydrophobicContact CB-CD2 4.49Å; I43-L80 HydrophobicContact CG2-CD2 3.94Å; L45-L80 HydrophobicContact CD1-CB 3.81Å; L45-L80 HydrophobicContact CD1-CD2 4.04Å; L45-L80 HydrophobicContact CD1-CG 4.47Å; L45-L80 VanDerWaalsContact CD1-O 3.23Å; L45-L80 WeakPolarHBondContact CD1-O 3.48Å; L45-L80 HydrophobicContact CD2-CB 4.11Å; L45-L80 HydrophobicContact CD2-CD1 4.05Å; L45-L80 HydrophobicContact CD2-CD2 3.69Å; L45-L80 HydrophobicContact CD2-CG 4.13Å; L45-L80 HydrophobicContact CG-CB 4.49Å; L45-L80 HydrophobicContact CG-CD2 3.99Å; L53-L80 WeakPolarHBondContact CD1-O 3.36Å; V55-L80 HydrophobicContact CB-CD2 4.08Å; V55-L80 HydrophobicContact CG2-CD2 3.39Å; I76-L80 HydrophobicContact CD1-CD1 3.89Å; I76-L80 HydrophobicContact CD1-CD2 3.86Å; I76-L80 HydrophobicContact CD1-CG 3.56Å
81E68.3Low69.9Low139 Ų139103.9 Ų103.965%0.6552%0.521SS*.SBendtrans-104.7132.9177.6-64.2172.9101.800110.4F49F49-E81 HydrophobicContact CE1-CG 3.99Å
82R59.8Low69.4Low210 Ų210103.1 Ų103.179%0.79252%0.522SS*.  trans-71.7129.7162.4-85.8-167.8178.1-177.30.8107.5E84R82-E84 PolarHBondContact O-N 3.08Å
83R54.5Low69Low207 Ų207106.1 Ų106.178%0.78153%0.527SS*.  trans-60.2109.8162.8-76.9177.9171163.6-2.1107.1T85R83-T85 PolarHBondContact O-N 3.31Å
84E47.5Very low68.2Low195 Ų195109.9 Ų109.991%0.91155%0.546SS*.  trans-57.6126.2159.5-65.6-170.39000106.6R82R82-E84 PolarHBondContact O-N 3.08Å
85T41Very low67.2Low209 Ų209115.5 Ų115.5100%1.28257%0.573SS**  trans-90.30176.3-60.70000108.8R83R83-T85 PolarHBondContact O-N 3.31Å

Retrieved 85 of 85 residues in 37.8 ms (Link to these results)