A0A087WNX3_MOUSE Loading...

aspartyl aminopeptidase

AlphaFold DB , UniProt , Accession A0A087WNX3, Species MOUSE (Mus musculus, Mouse), Gene Dnpep, 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
1M49Very low80.9Confident251 Ų251133 Ų133100%1.23670%0.703SS**  094.80-85.1172.3156.800109.5
2A54.8Low82.3Confident99 Ų99129.8 Ų129.882%0.81868%0.684SS**  trans-156.427.3173.800000113.3
3M57.3Low83.6Confident173 Ų173126.5 Ų126.585%0.85266%0.663SS**  trans-87.8-5.5-176.2-68.2-143.6-70.800114.9
4N75.4Confident84.6Confident145 Ų145121.4 Ų121.478%0.77565%0.648SS**Hα-helixtrans-83.2-27.3-166.6-143.728.3000114.5R8N4-R8 WeakPolarHBondContact O-CB 3.49Å
5G82.4Confident85.5Confident58 Ų58120.1 Ų120.160%0.59865%0.646SS**Hα-helixtrans-77.8-39.5-175.700000114.1K9G5-K9 PolarHBondContact O-N 2.89Å
6R91Very high86.3Confident191 Ų191115.3 Ų115.372%0.72163%0.628SS**Hα-helixtrans-70-48.2-178.9-179.1176174.3170.70.4111.9R8 K9 E10R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.47Å; R6-K9 WeakPolarHBondContact O-CB 3.35Å; R6-K9 PolarHBondContact O-N 3.37Å; R6-K9 VanDerWaalsContact O-N 3.13Å; R6-E10 WeakPolarHBondContact CG-OE1 3.49Å; R6-E10 IonicContact CZ-OE1 3.75Å; R6-E10 IonicContact NE-OE1 2.89Å; R6-E10 PolarHBondContact NE-OE1 3.13Å; R6-E10 IonicContact NH2-OE1 3.72Å; R6-E10 WeakPolarHBondContact O-CG 3.31Å; R6-E10 PolarHBondContact O-N 2.98Å
7A93.5Very high87.1Confident52 Ų52117.6 Ų117.643%0.4363%0.626SS.*Hα-helixtrans-58.9-41.8178.600000112.1K9 E10 A11A7-K9 PolarHBondContact O-N 3.23Å; A7-E10 PolarHBondContact O-N 2.97Å; A7-A11 PolarHBondContact O-N 3.31Å
8R95.6Very high87.7Confident187 Ų187115.4 Ų115.471%0.70661%0.611SS**Hα-helixtrans-60.8-44.5175.2-178.8176.2178.6-179.30.3112.2N4 R6 E10 A11 I12N4-R8 WeakPolarHBondContact O-CB 3.49Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.47Å; R8-E10 VanDerWaalsContact C-N 3.34Å; R8-A11 PolarHBondContact O-N 3.46Å; R8-I12 HydrophobicContact CG-CD1 4.01Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.48Å; R8-I12 PolarHBondContact O-N 3.39Å
9K96.3Very high88.3Confident146 Ų146115.1 Ų115.164%0.63561%0.609SS**Hα-helixtrans-62.2-43.3177.6-176179.1178.9-179.70111.1G5 R6 A7 I12 Q13G5-K9 PolarHBondContact O-N 2.89Å; R6-K9 WeakPolarHBondContact O-CB 3.35Å; R6-K9 PolarHBondContact O-N 3.37Å; R6-K9 VanDerWaalsContact O-N 3.13Å; A7-K9 PolarHBondContact O-N 3.23Å; K9-I12 PolarHBondContact O-N 2.99Å; K9-Q13 WeakPolarHBondContact O-CB 3.27Å; K9-Q13 VanDerWaalsContact O-CG 3.27Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.38Å
10E97.5Very high88.8Confident104 Ų104114.6 Ų114.649%0.48661%0.606SS.*Hα-helixtrans-61.8-44.3177.5-72.2168.1-177.300111.5R6 A7 R8 I12 Q13 A14R6-E10 WeakPolarHBondContact CG-OE1 3.49Å; R6-E10 IonicContact CZ-OE1 3.75Å; R6-E10 IonicContact NE-OE1 2.89Å; R6-E10 PolarHBondContact NE-OE1 3.13Å; R6-E10 IonicContact NH2-OE1 3.72Å; R6-E10 WeakPolarHBondContact O-CG 3.31Å; R6-E10 PolarHBondContact O-N 2.98Å; A7-E10 PolarHBondContact O-N 2.97Å; R8-E10 VanDerWaalsContact C-N 3.34Å; E10-I12 PolarHBondContact O-N 3.06Å; E10-Q13 PolarHBondContact O-N 2.87Å; E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.27Å
11A97.1Very high89.2Confident57 Ų57113.8 Ų113.847%0.47160%0.598SS.*Hα-helixtrans-61.7-41.717600000113.2A7 R8 A14 T15A7-A11 PolarHBondContact O-N 3.31Å; R8-A11 PolarHBondContact O-N 3.46Å; A11-A14 PolarHBondContact O-N 2.94Å; A11-T15 PolarHBondContact O-N 2.86Å; A11-T15 PolarHBondContact O-OG1 3.48Å
12I97.9Very high91.6Very high94 Ų94104.2 Ų104.248%0.48255%0.549SS..Hα-helixtrans-62.8-46.2175.7-69165.2000110.3R8 K9 E10 A14 T15 A16R8-I12 HydrophobicContact CG-CD1 4.01Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.48Å; R8-I12 PolarHBondContact O-N 3.39Å; K9-I12 PolarHBondContact O-N 2.99Å; E10-I12 PolarHBondContact O-N 3.06Å; I12-A14 PolarHBondContact O-N 3.33Å; I12-T15 PolarHBondContact O-N 3.49Å; I12-A16 WeakPolarHBondContact O-CB 3.43Å; I12-A16 PolarHBondContact O-N 3.43Å
13Q98.4Very high93.7Very high88 Ų88103.4 Ų103.441%0.41153%0.534SS..Hα-helixtrans-65.6-38.1179.7-71.5-66.3-37.900112.2K9 E10 A16 R17K9-Q13 WeakPolarHBondContact O-CB 3.27Å; K9-Q13 VanDerWaalsContact O-CG 3.27Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.38Å; E10-Q13 PolarHBondContact O-N 2.87Å; Q13-A16 PolarHBondContact O-N 3.29Å; Q13-R17 WeakPolarHBondContact O-CB 3.23Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.48Å; Q13-R17 PolarHBondContact O-N 2.97Å
14A98.2Very high95.6Very high55 Ų55101.4 Ų101.446%0.45553%0.526SS..Hα-helixtrans-61.7-47.4174.200000111.2E10 A11 I12 A16 R17 E18E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.27Å; A11-A14 PolarHBondContact O-N 2.94Å; I12-A14 PolarHBondContact O-N 3.33Å; A14-A16 PolarHBondContact O-N 3.02Å; A14-R17 PolarHBondContact O-N 3Å; A14-E18 PolarHBondContact O-N 3.29Å
15T98.3Very high96.7Very high101 Ų101101.4 Ų101.462%0.6252%0.516SS*.Hα-helixtrans-60-46.1177.5-53.60000111.6A11 I12 R17 E18 L19A11-T15 PolarHBondContact O-N 2.86Å; A11-T15 PolarHBondContact O-OG1 3.48Å; I12-T15 PolarHBondContact O-N 3.49Å; T15-R17 PolarHBondContact O-N 3.32Å; T15-E18 PolarHBondContact O-N 3.49Å; T15-L19 PolarHBondContact O-N 3.46Å
16A98.6Very high97.4Very high43 Ų4399.4 Ų99.436%0.35549%0.493SS..Hα-helixtrans-62.4-42.5178.100000112.3I12 Q13 A14 E18 L19 L20I12-A16 WeakPolarHBondContact O-CB 3.43Å; I12-A16 PolarHBondContact O-N 3.43Å; Q13-A16 PolarHBondContact O-N 3.29Å; A14-A16 PolarHBondContact O-N 3.02Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-E18 PolarHBondContact O-N 3Å; A16-L19 PolarHBondContact O-N 3.47Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.99Å
17R98.7Very high97.7Very high156 Ų15695.2 Ų95.259%0.58949%0.49SS*.Hα-helixtrans-64.1-39176.7-71.7171.1-161.3-97.8-0.4112.1Q13 A14 T15 L20 K21Q13-R17 WeakPolarHBondContact O-CB 3.23Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.48Å; Q13-R17 PolarHBondContact O-N 2.97Å; A14-R17 PolarHBondContact O-N 3Å; T15-R17 PolarHBondContact O-N 3.32Å; R17-L20 PolarHBondContact O-N 3.08Å; R17-K21 WeakPolarHBondContact O-CG 3.42Å; R17-K21 PolarHBondContact O-N 3.47Å
18E98.4Very high97.9Very high78 Ų7894.3 Ų94.336%0.36448%0.481SS..Hα-helixtrans-66.3-39.4175.7-77.5-54.2126.400112.5A14 T15 A16 K21 F22 R39A14-E18 PolarHBondContact O-N 3.29Å; T15-E18 PolarHBondContact O-N 3.49Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-E18 PolarHBondContact O-N 3Å; E18-K21 PolarHBondContact O-N 2.7Å; E18-K21 WeakPolarHBondContact OE1-CD 3.48Å; E18-K21 WeakPolarHBondContact OE1-CE 3.44Å; E18-K21 IonicContact OE1-NZ 2.7Å; E18-K21 PolarHBondContact OE1-NZ 3.4Å; E18-F22 PolarHBondContact O-N 2.96Å; E18-R39 IonicContact OE2-NH1 3.99Å
19L98.5Very high98.1Very high108 Ų10889.2 Ų89.257%0.56547%0.472SS*.Hα-helixtrans-60.7-45.9171.9176.662.6000111.5T15 A16 K21 F22 V23T15-L19 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 3.47Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.41Å; L19-F22 WeakPolarHBondContact O-CB 3.4Å; L19-F22 PolarHBondContact O-N 2.81Å; L19-F22 VanDerWaalsContact O-N 3.13Å; L19-V23 HydrophobicContact CD1-CG2 4.14Å; L19-V23 HydrophobicContact CG-CG2 4.45Å; L19-V23 WeakPolarHBondContact O-CG2 3.2Å; L19-V23 PolarHBondContact O-N 2.96Å
20L98.6Very high98.1Very high106 Ų10687.7 Ų87.756%0.55547%0.465SS*.Hα-helixtrans-60.4-41.1177.7-69.5174000111.9A16 R17 V23 N24A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.99Å; R17-L20 PolarHBondContact O-N 3.08Å; L20-V23 PolarHBondContact O-N 3.36Å; L20-N24 VanDerWaalsContact O-CB 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.4Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 PolarHBondContact O-ND2 2.98Å
21K98.6Very high98.2Very high98 Ų9887.3 Ų87.343%0.42646%0.463SS..Hα-helixtrans-61.1-43.6173.6-71174.8-171171.40111.7R17 E18 L19 R25R17-K21 WeakPolarHBondContact O-CG 3.42Å; R17-K21 PolarHBondContact O-N 3.47Å; E18-K21 PolarHBondContact O-N 2.7Å; E18-K21 WeakPolarHBondContact OE1-CD 3.48Å; E18-K21 WeakPolarHBondContact OE1-CE 3.44Å; E18-K21 IonicContact OE1-NZ 2.7Å; E18-K21 PolarHBondContact OE1-NZ 3.4Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.41Å; K21-R25 WeakPolarHBondContact O-CB 3.43Å; K21-R25 VanDerWaalsContact O-CG 3.29Å; K21-R25 WeakPolarHBondContact O-CG 3.42Å; K21-R25 PolarHBondContact O-N 2.85Å; K21-R25 VanDerWaalsContact O-N 3.13Å
22F98.6Very high98.3Very high50 Ų5087 Ų8722%0.21946%0.456CS..Hα-helixtrans-60.4-49.5177.5-179.6-92.4000111.5E18 L19 R25 S26 V32 E35E18-F22 PolarHBondContact O-N 2.96Å; L19-F22 WeakPolarHBondContact O-CB 3.4Å; L19-F22 PolarHBondContact O-N 2.81Å; L19-F22 VanDerWaalsContact O-N 3.13Å; F22-R25 PolarHBondContact O-N 2.99Å; F22-S26 VanDerWaalsContact O-CB 3.28Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.33Å; F22-S26 PolarHBondContact O-OG 3.01Å; F22-V32 HydrophobicContact CE1-CG1 4.39Å; F22-V32 HydrophobicContact CZ-CG1 3.98Å; F22-E35 HydrophobicContact CD2-CB 4.42Å; F22-E35 HydrophobicContact CD2-CG 3.43Å; F22-E35 VanDerWaalsContact CD2-CG 3.43Å; F22-E35 HydrophobicContact CE2-CB 4.16Å; F22-E35 HydrophobicContact CE2-CG 3.61Å; F22-E35 HydrophobicContact CG-CG 4.41Å
23V98.5Very high98.3Very high82 Ų8283 Ų8350%0.49744%0.435SS..Hα-helixtrans-61.8-47.5179.1171.90000111.2L19 L20 R25 S26L19-V23 HydrophobicContact CD1-CG2 4.14Å; L19-V23 HydrophobicContact CG-CG2 4.45Å; L19-V23 WeakPolarHBondContact O-CG2 3.2Å; L19-V23 PolarHBondContact O-N 2.96Å; L20-V23 PolarHBondContact O-N 3.36Å; V23-R25 PolarHBondContact O-N 2.87Å; V23-S26 PolarHBondContact O-N 2.91Å
24N98.3Very high98.3Very high130 Ų13081.4 Ų81.470%0.69544%0.438SS*.Hα-helixtrans-63-29.1-179.1-72.4-16.5000113.2L20 S26L20-N24 VanDerWaalsContact O-CB 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.4Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 PolarHBondContact O-ND2 2.98Å; N24-S26 VanDerWaalsContact C-N 3.31Å
25R97.9Very high98.3Very high146 Ų14679.8 Ų79.855%0.55142%0.421SS*.THydrogen-bonded Turntrans-82.2-7.9175.4-71.2176.3-179.4175.9-2.9113.7K21 F22 V23 P27 E35K21-R25 WeakPolarHBondContact O-CB 3.43Å; K21-R25 VanDerWaalsContact O-CG 3.29Å; K21-R25 WeakPolarHBondContact O-CG 3.42Å; K21-R25 PolarHBondContact O-N 2.85Å; K21-R25 VanDerWaalsContact O-N 3.13Å; F22-R25 PolarHBondContact O-N 2.99Å; V23-R25 PolarHBondContact O-N 2.87Å; R25-P27 VanDerWaalsContact O-CD 3.24Å; R25-P27 WeakPolarHBondContact O-CD 3.44Å; R25-E35 VanDerWaalsContact CD-OE2 3.31Å; R25-E35 WeakPolarHBondContact CD-OE2 3.09Å; R25-E35 IonicContact NH1-OE1 2.83Å; R25-E35 PolarHBondContact NH1-OE1 2.89Å; R25-E35 IonicContact NH1-OE2 3.23Å
26S97.3Very high98.3Very high16 Ų1676.4 Ų76.411%0.11240%0.401CS..  trans-12259.6-167.3-54.20000113.4F22 V23 N24 S28F22-S26 VanDerWaalsContact O-CB 3.28Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.33Å; F22-S26 PolarHBondContact O-OG 3.01Å; V23-S26 PolarHBondContact O-N 2.91Å; N24-S26 VanDerWaalsContact C-N 3.31Å; S26-S28 PolarHBondContact O-N 2.95Å
27P97.5Very high98.3Very high102 Ų10279.7 Ų79.766%0.66240%0.404SS*.SBendtrans-71-9.4-175.730.3-38.1000114.5R25 H31R25-P27 VanDerWaalsContact O-CD 3.24Å; R25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-H31 HydrophobicContact CG-CB 4.28Å
28S98.1Very high98.3Very high34 Ų3474.6 Ų74.624%0.23839%0.392CS..SBendtrans-147.5164.7174.380.40000111S26 F30 H31 V32S26-S28 PolarHBondContact O-N 2.95Å; S28-F30 PolarHBondContact O-N 3.03Å; S28-F30 VanDerWaalsContact O-N 3.15Å; S28-H31 WeakPolarHBondContact O-CA 3.44Å; S28-H31 WeakPolarHBondContact O-CB 3.37Å; S28-H31 PolarHBondContact O-N 3.24Å; S28-H31 PolarHBondContact OG-ND1 3.34Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.11Å
29P98.1Very high98.3Very high80 Ų8074.9 Ų74.952%0.51939%0.39SS..Hα-helixtrans-54.5-34.1177.8-27.836.1000114V32 V33P29-V32 WeakPolarHBondContact O-CB 3.31Å; P29-V32 PolarHBondContact O-N 3.48Å; P29-V33 PolarHBondContact O-N 3.39Å
30F98.2Very high98.3Very high113 Ų11371 Ų7150%0.49637%0.37SS..Hα-helixtrans-65-40.7175.4-56.3-78.4000112.2S28 V33 A34 S68S28-F30 PolarHBondContact O-N 3.03Å; S28-F30 VanDerWaalsContact O-N 3.15Å; F30-V33 PolarHBondContact O-N 3.06Å; F30-A34 WeakPolarHBondContact O-CB 3.23Å; F30-A34 PolarHBondContact O-N 3.3Å; F30-S68 WeakPolarHBondContact CA-O 3.47Å; F30-S68 WeakPolarHBondContact CD1-O 3.47Å
31H98.4Very high98.3Very high97 Ų9770 Ų7045%0.44936%0.364SS..Hα-helixtrans-70.9-35.3175.9-63.992.5000112P27 S28 V33 A34 E35P27-H31 HydrophobicContact CG-CB 4.28Å; S28-H31 WeakPolarHBondContact O-CA 3.44Å; S28-H31 WeakPolarHBondContact O-CB 3.37Å; S28-H31 PolarHBondContact O-N 3.24Å; S28-H31 PolarHBondContact OG-ND1 3.34Å; H31-V33 VanDerWaalsContact C-N 3.34Å; H31-V33 PolarHBondContact O-N 3.5Å; H31-A34 PolarHBondContact O-N 3.4Å; H31-E35 WeakPolarHBondContact O-CB 3.4Å; H31-E35 PolarHBondContact O-N 3.05Å
32V98.5Very high98.3Very high51 Ų5172.7 Ų72.731%0.30938%0.378SS..Hα-helixtrans-56.4-50.8171.5176.20000109.9F22 S28 P29 A34 E35 C36F22-V32 HydrophobicContact CE1-CG1 4.39Å; F22-V32 HydrophobicContact CZ-CG1 3.98Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.11Å; P29-V32 WeakPolarHBondContact O-CB 3.31Å; P29-V32 PolarHBondContact O-N 3.48Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.96Å; V32-E35 PolarHBondContact O-N 2.87Å; V32-C36 WeakPolarHBondContact O-CB 3.38Å; V32-C36 PolarHBondContact O-N 3.31Å; V32-C36 PolarHBondContact O-SG 2.89Å; V32-C36 VanDerWaalsContact O-SG 3.33Å
33V98.6Very high98.3Very high8 Ų872.7 Ų72.75%0.04839%0.388CS..Hα-helixtrans-63.2-40.1178.9168.40000111.6P29 F30 H31 C36 R37 T65 S68 I71P29-V33 PolarHBondContact O-N 3.39Å; F30-V33 PolarHBondContact O-N 3.06Å; H31-V33 VanDerWaalsContact C-N 3.34Å; H31-V33 PolarHBondContact O-N 3.5Å; V33-C36 PolarHBondContact O-N 2.94Å; V33-R37 VanDerWaalsContact O-CB 3.3Å; V33-R37 WeakPolarHBondContact O-CB 3.31Å; V33-R37 PolarHBondContact O-N 3.44Å; V33-T65 HydrophobicContact CG1-CG2 3.56Å; V33-S68 WeakPolarHBondContact CB-O 3.5Å; V33-I71 HydrophobicContact CG1-CB 4.22Å; V33-I71 HydrophobicContact CG1-CD1 4.5Å; V33-I71 HydrophobicContact CG2-CB 4.23Å; V33-I71 HydrophobicContact CG2-CG2 4.24Å
34A98.4Very high98.3Very high56 Ų5671.4 Ų71.446%0.46339%0.391SS..Hα-helixtrans-63.4-42.9176.600000112.7F30 H31 V32 R37 S38F30-A34 WeakPolarHBondContact O-CB 3.23Å; F30-A34 PolarHBondContact O-N 3.3Å; H31-A34 PolarHBondContact O-N 3.4Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.96Å; A34-R37 PolarHBondContact O-N 3.25Å; A34-S38 PolarHBondContact O-N 2.82Å
35E98.6Very high98.4Very high21 Ų2167 Ų6710%0.09837%0.365CS..Hα-helixtrans-66.4-42.3175.717967.6-173.800111.1F22 R25 H31 V32 S38 R39F22-E35 HydrophobicContact CD2-CB 4.42Å; F22-E35 HydrophobicContact CD2-CG 3.43Å; F22-E35 VanDerWaalsContact CD2-CG 3.43Å; F22-E35 HydrophobicContact CE2-CB 4.16Å; F22-E35 HydrophobicContact CE2-CG 3.61Å; F22-E35 HydrophobicContact CG-CG 4.41Å; R25-E35 VanDerWaalsContact CD-OE2 3.31Å; R25-E35 WeakPolarHBondContact CD-OE2 3.09Å; R25-E35 IonicContact NH1-OE1 2.83Å; R25-E35 PolarHBondContact NH1-OE1 2.89Å; R25-E35 IonicContact NH1-OE2 3.23Å; H31-E35 WeakPolarHBondContact O-CB 3.4Å; H31-E35 PolarHBondContact O-N 3.05Å; V32-E35 PolarHBondContact O-N 2.87Å; E35-S38 PolarHBondContact O-N 2.81Å; E35-R39 WeakPolarHBondContact O-CG 3.29Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 IonicContact OE1-CZ 3.25Å; E35-R39 VanDerWaalsContact OE1-CZ 3.25Å; E35-R39 IonicContact OE1-NE 2.81Å; E35-R39 PolarHBondContact OE1-NE 3.13Å; E35-R39 IonicContact OE1-NH2 2.82Å; E35-R39 PolarHBondContact OE1-NH2 2.96Å
36C98.6Very high98.4Very high30 Ų3066.1 Ų66.120%0.20336%0.362CS..Hα-helixtrans-59.9-47.2173.5-730000111.7V32 V33 S38 R39 L40 I71V32-C36 WeakPolarHBondContact O-CB 3.38Å; V32-C36 PolarHBondContact O-N 3.31Å; V32-C36 PolarHBondContact O-SG 2.89Å; V32-C36 VanDerWaalsContact O-SG 3.33Å; V33-C36 PolarHBondContact O-N 2.94Å; C36-S38 PolarHBondContact O-N 3.23Å; C36-R39 PolarHBondContact O-N 3.24Å; C36-L40 WeakPolarHBondContact O-CB 3.28Å; C36-L40 WeakPolarHBondContact O-CD1 3.49Å; C36-L40 VanDerWaalsContact O-CG 3.23Å; C36-L40 WeakPolarHBondContact O-CG 3.3Å; C36-L40 PolarHBondContact O-N 3.45Å; C36-I71 HydrophobicContact CB-CD1 3.86Å; C36-I71 HydrophobicContact CB-CG2 4.25Å
37R98.6Very high98.4Very high111 Ų11168.4 Ų68.442%0.41937%0.371SS..Hα-helixtrans-55.4-48.6175.8173.6171.7-172.7-140.15111.3V33 A34 R39 L40 L41 E47 F63 I71V33-R37 VanDerWaalsContact O-CB 3.3Å; V33-R37 WeakPolarHBondContact O-CB 3.31Å; V33-R37 PolarHBondContact O-N 3.44Å; A34-R37 PolarHBondContact O-N 3.25Å; R37-R39 PolarHBondContact O-N 3.32Å; R37-L40 PolarHBondContact O-N 2.71Å; R37-L41 HydrophobicContact CG-CD1 3.94Å; R37-L41 WeakPolarHBondContact O-CB 3.12Å; R37-L41 VanDerWaalsContact O-CG 3.3Å; R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 2.93Å; R37-E47 IonicContact CZ-OE1 3.72Å; R37-E47 IonicContact CZ-OE2 3.58Å; R37-E47 IonicContact NE-OE1 2.68Å; R37-E47 PolarHBondContact NE-OE1 3.05Å; R37-E47 IonicContact NE-OE2 3.19Å; R37-E47 PolarHBondContact NE-OE2 3.35Å; R37-E47 IonicContact NH2-OE1 3.15Å; R37-E47 IonicContact NH2-OE2 3.52Å; R37-E47 PolarHBondContact NH2-OE2 2.89Å; R37-F63 HydrophobicContact CB-CE2 4.12Å; R37-F63 HydrophobicContact CB-CZ 4.44Å; R37-F63 HydrophobicContact CG-CE2 3.7Å; R37-F63 HydrophobicContact CG-CZ 3.7Å; R37-I71 HydrophobicContact CB-CD1 4.45Å
38S98.5Very high98.4Very high49 Ų4964.4 Ų64.434%0.34334%0.344SS..Hα-helixtrans-58.6-45.7178.1-178.50000112.4A34 E35 C36 L41 Q42A34-S38 PolarHBondContact O-N 2.82Å; E35-S38 PolarHBondContact O-N 2.81Å; C36-S38 PolarHBondContact O-N 3.23Å; S38-L41 PolarHBondContact O-N 3.17Å; S38-Q42 VanDerWaalsContact O-CG 3.31Å; S38-Q42 WeakPolarHBondContact O-CG 3.28Å; S38-Q42 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact O-NE2 3.46Å; S38-Q42 PolarHBondContact OG-NE2 3.43Å
39R98.6Very high98.4Very high84 Ų8468.6 Ų68.632%0.31736%0.358SS..Hα-helixtrans-66.2-39.8178.2-69.8175.4-178.2-116.2-0.8112.6E18 E35 C36 R37 Q42 A43E18-R39 IonicContact OE2-NH1 3.99Å; E35-R39 WeakPolarHBondContact O-CG 3.29Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 IonicContact OE1-CZ 3.25Å; E35-R39 VanDerWaalsContact OE1-CZ 3.25Å; E35-R39 IonicContact OE1-NE 2.81Å; E35-R39 PolarHBondContact OE1-NE 3.13Å; E35-R39 IonicContact OE1-NH2 2.82Å; E35-R39 PolarHBondContact OE1-NH2 2.96Å; C36-R39 PolarHBondContact O-N 3.24Å; R37-R39 PolarHBondContact O-N 3.32Å; R39-Q42 PolarHBondContact O-N 2.88Å; R39-A43 WeakPolarHBondContact O-CB 3.45Å; R39-A43 PolarHBondContact O-N 3.37Å
40L98.8Very high98.1Very high28 Ų2869.3 Ų69.315%0.14736%0.355CS..Hα-helixtrans-65.6-44.1177.8-73.1164.5000111.5C36 R37 Q42 A43 G44 F45 F63 I71 A73C36-L40 WeakPolarHBondContact O-CB 3.28Å; C36-L40 WeakPolarHBondContact O-CD1 3.49Å; C36-L40 VanDerWaalsContact O-CG 3.23Å; C36-L40 WeakPolarHBondContact O-CG 3.3Å; C36-L40 PolarHBondContact O-N 3.45Å; R37-L40 PolarHBondContact O-N 2.71Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 3.3Å; L40-A43 CarbonylContact O-C 3.52Å; L40-A43 PolarHBondContact O-N 3.33Å; L40-A43 VanDerWaalsContact O-N 3.11Å; L40-G44 PolarHBondContact O-N 2.99Å; L40-F45 HydrophobicContact CB-CB 4.07Å; L40-F45 HydrophobicContact CB-CD2 4.39Å; L40-F45 HydrophobicContact CB-CG 4.2Å; L40-F45 HydrophobicContact CD2-CD1 3.83Å; L40-F45 HydrophobicContact CD2-CD2 3.79Å; L40-F45 HydrophobicContact CD2-CE1 3.92Å; L40-F45 HydrophobicContact CD2-CE2 3.84Å; L40-F45 HydrophobicContact CD2-CG 3.8Å; L40-F45 HydrophobicContact CD2-CZ 3.92Å; L40-F45 WeakPolarHBondContact O-CB 3.31Å; L40-F45 WeakPolarHBondContact O-CD2 3.25Å; L40-F45 PolarHBondContact O-N 3.4Å; L40-F63 HydrophobicContact CB-CD1 4.02Å; L40-F63 HydrophobicContact CB-CE1 4.28Å; L40-F63 HydrophobicContact CB-CG 4.4Å; L40-F63 HydrophobicContact CD1-CB 3.89Å; L40-F63 HydrophobicContact CD1-CD1 4.35Å; L40-F63 HydrophobicContact CD1-CD2 4.24Å; L40-F63 HydrophobicContact CD1-CG 3.9Å; L40-I71 HydrophobicContact CD1-CD1 3.56Å; L40-I71 HydrophobicContact CD1-CG1 4.32Å; L40-A73 HydrophobicContact CD1-CB 3.78Å; L40-A73 HydrophobicContact CD2-CB 3.71Å; L40-A73 HydrophobicContact CG-CB 4.42Å
41L98.6Very high97.9Very high84 Ų8470.3 Ų70.344%0.4437%0.37SS..Hα-helixtrans-59.5-45.1174.2-71.1168.5000111.3R37 S38 A43 G44 F63R37-L41 HydrophobicContact CG-CD1 3.94Å; R37-L41 WeakPolarHBondContact O-CB 3.12Å; R37-L41 VanDerWaalsContact O-CG 3.3Å; R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 2.93Å; S38-L41 PolarHBondContact O-N 3.17Å; L41-A43 VanDerWaalsContact C-N 3.25Å; L41-A43 PolarHBondContact O-N 3.36Å; L41-G44 PolarHBondContact O-N 2.84Å; L41-F63 HydrophobicContact CD2-CE1 3.85Å; L41-F63 HydrophobicContact CD2-CZ 4.08Å; L41-F63 HydrophobicContact CG-CE1 4.05Å; L41-F63 HydrophobicContact CG-CZ 4.07Å
42Q98.5Very high97.7Very high154 Ų15470.4 Ų70.472%0.7237%0.371SS*.Hα-helixtrans-62.5-31.2175.1-71.9170.353.400112.9S38 R39 L40 G44S38-Q42 VanDerWaalsContact O-CG 3.31Å; S38-Q42 WeakPolarHBondContact O-CG 3.28Å; S38-Q42 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact O-NE2 3.46Å; S38-Q42 PolarHBondContact OG-NE2 3.43Å; R39-Q42 PolarHBondContact O-N 2.88Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 3.3Å; Q42-G44 PolarHBondContact O-N 3.43Å
43A98.4Very high97.5Very high50 Ų5071.9 Ų71.941%0.41340%0.397SS..THydrogen-bonded Turntrans-825.9175.400000113.8R39 L40 L41 F45 K61R39-A43 WeakPolarHBondContact O-CB 3.45Å; R39-A43 PolarHBondContact O-N 3.37Å; L40-A43 CarbonylContact O-C 3.52Å; L40-A43 PolarHBondContact O-N 3.33Å; L40-A43 VanDerWaalsContact O-N 3.11Å; L41-A43 VanDerWaalsContact C-N 3.25Å; L41-A43 PolarHBondContact O-N 3.36Å; A43-F45 HydrophobicContact CB-CD2 3.97Å; A43-F45 HydrophobicContact CB-CE2 4.11Å; A43-K61 PolarHBondContact O-NZ 3.19Å
44G98.4Very high97.4Very high55 Ų5577 Ų7757%0.56742%0.415SS*.THydrogen-bonded Turntrans77.325.3177.500000114.4L40 L41 Q42L40-G44 PolarHBondContact O-N 2.99Å; L41-G44 PolarHBondContact O-N 2.84Å; Q42-G44 PolarHBondContact O-N 3.43Å
45F98.7Very high97.2Very high37 Ų3780 Ų8016%0.16242%0.423CS..PPolyproline II helixtrans-79.4143.7168.9-72.8-116.3000110.5L40 A43 K61 Y62 F63 A73L40-F45 HydrophobicContact CB-CB 4.07Å; L40-F45 HydrophobicContact CB-CD2 4.39Å; L40-F45 HydrophobicContact CB-CG 4.2Å; L40-F45 HydrophobicContact CD2-CD1 3.83Å; L40-F45 HydrophobicContact CD2-CD2 3.79Å; L40-F45 HydrophobicContact CD2-CE1 3.92Å; L40-F45 HydrophobicContact CD2-CE2 3.84Å; L40-F45 HydrophobicContact CD2-CG 3.8Å; L40-F45 HydrophobicContact CD2-CZ 3.92Å; L40-F45 WeakPolarHBondContact O-CB 3.31Å; L40-F45 WeakPolarHBondContact O-CD2 3.25Å; L40-F45 PolarHBondContact O-N 3.4Å; A43-F45 HydrophobicContact CB-CD2 3.97Å; A43-F45 HydrophobicContact CB-CE2 4.11Å; F45-K61 WeakPolarHBondContact CA-O 3.46Å; F45-K61 HydrophobicContact CB-CB 4.34Å; F45-K61 HydrophobicContact CD1-CB 3.59Å; F45-K61 HydrophobicContact CD2-CB 4Å; F45-K61 HydrophobicContact CD2-CD 4.14Å; F45-K61 HydrophobicContact CE1-CB 3.75Å; F45-K61 HydrophobicContact CE1-CD 4.44Å; F45-K61 HydrophobicContact CE1-CG 4.25Å; F45-K61 HydrophobicContact CE2-CB 4.16Å; F45-K61 HydrophobicContact CE2-CD 3.7Å; F45-K61 HydrophobicContact CE2-CG 4.36Å; F45-K61 HydrophobicContact CG-CB 3.71Å; F45-K61 HydrophobicContact CZ-CB 4.03Å; F45-K61 HydrophobicContact CZ-CD 3.85Å; F45-K61 HydrophobicContact CZ-CG 4.14Å; F45-Y62 WeakPolarHBondContact CD1-O 3.3Å; F45-F63 HydrophobicContact CB-CD1 3.8Å; F45-F63 HydrophobicContact CB-CE1 4.39Å; F45-A73 HydrophobicContact CD1-CB 4.43Å; F45-A73 HydrophobicContact CE1-CB 4.19Å
46R98.3Very high97.1Very high128 Ų12881.5 Ų81.548%0.48343%0.432SS..EExtended strand (participates in β ladder)trans-94.3132.1173.2-173.9171.376-170.43.3110.8D55 K61 Y62 F63R46-D55 PolarHBondContact NH2-O 3.35Å; R46-K61 PolarHBondContact N-O 2.83Å; R46-Y62 HydrophobicContact CB-CD1 4.04Å; R46-Y62 HydrophobicContact CB-CE1 4.37Å; R46-Y62 VanDerWaalsContact NH2-CE1 3.28Å; R46-Y62 CarbonylContact O-C 3.49Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.48Å; R46-F63 PolarHBondContact O-N 2.92Å
47E98.1Very high96.9Very high65 Ų6583 Ų8330%0.30444%0.439SS..EExtended strand (participates in β ladder)trans-75.6134173.5-167.7164.7-170.200110.8R37 F63R37-E47 IonicContact CZ-OE1 3.72Å; R37-E47 IonicContact CZ-OE2 3.58Å; R37-E47 IonicContact NE-OE1 2.68Å; R37-E47 PolarHBondContact NE-OE1 3.05Å; R37-E47 IonicContact NE-OE2 3.19Å; R37-E47 PolarHBondContact NE-OE2 3.35Å; R37-E47 IonicContact NH2-OE1 3.15Å; R37-E47 IonicContact NH2-OE2 3.52Å; R37-E47 PolarHBondContact NH2-OE2 2.89Å; E47-F63 CarbonylContact C-O 3.59Å; E47-F63 WeakPolarHBondContact CA-O 3.48Å; E47-F63 HydrophobicContact CB-CD1 4.43Å; E47-F63 HydrophobicContact CB-CE1 3.68Å; E47-F63 HydrophobicContact CB-CE2 4.02Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.36Å; E47-F63 HydrophobicContact CG-CE1 4.25Å; E47-F63 HydrophobicContact CG-CE2 3.64Å; E47-F63 HydrophobicContact CG-CZ 3.57Å
48L98.3Very high96.8Very high17 Ų1779.9 Ų79.99%0.08943%0.434CS..  trans-106.4144.4173.2-59.3177.1000109.6W54 I56 Y62 F63 L64 F74L48-W54 HydrophobicContact CD1-CD2 4Å; L48-W54 HydrophobicContact CD1-CE3 4.32Å; L48-W54 HydrophobicContact CD1-CG 4.12Å; L48-I56 HydrophobicContact CD1-CD1 3.65Å; L48-Y62 HydrophobicContact CD1-CD1 4.24Å; L48-Y62 HydrophobicContact CD1-CG 4.07Å; L48-Y62 HydrophobicContact CD2-CD1 3.9Å; L48-Y62 HydrophobicContact CG-CD1 4.16Å; L48-Y62 HydrophobicContact CG-CG 4.4Å; L48-F63 PolarHBondContact N-O 2.81Å; L48-L64 HydrophobicContact CB-CB 4.42Å; L48-F74 HydrophobicContact CD1-CE1 4.37Å; L48-F74 HydrophobicContact CD1-CZ 3.96Å
49K96.1Very high96.8Very high122 Ų12285.2 Ų85.253%0.5345%0.453SS..  trans-94.9130.4171.5-57.4-162.7-155142.40110.4T51 E52 W54K49-T51 PolarHBondContact O-N 3.33Å; K49-T51 VanDerWaalsContact O-N 3.08Å; K49-E52 HydrophobicContact CB-CB 4.28Å; K49-E52 HydrophobicContact CB-CG 4Å; K49-E52 HydrophobicContact CD-CG 4.49Å; K49-E52 VanDerWaalsContact CD-OE1 3.3Å; K49-E52 WeakPolarHBondContact CD-OE1 3.46Å; K49-E52 WeakPolarHBondContact CE-OE1 3.44Å; K49-E52 IonicContact NZ-OE1 2.74Å; K49-E52 PolarHBondContact NZ-OE1 3.43Å; K49-E52 PolarHBondContact O-N 3.49Å; K49-E52 VanDerWaalsContact O-N 3.12Å; K49-W54 PolarHBondContact O-NE1 3.02Å
50E93Very high96.7Very high96 Ų9684.5 Ų84.545%0.44946%0.456SS..THydrogen-bonded Turntrans-58.7-23.4-179.7-167.3173.5-170.800113.5R66E50-R66 VanDerWaalsContact OE1-CD 3.32Å; E50-R66 WeakPolarHBondContact OE1-CD 3.47Å; E50-R66 IonicContact OE1-CZ 3.88Å; E50-R66 IonicContact OE1-NH1 2.96Å; E50-R66 PolarHBondContact OE1-NH1 2.99Å; E50-R66 WeakPolarHBondContact OE2-CD 3.43Å
51T94.3Very high96.7Very high133 Ų13387 Ų8782%0.81647%0.466SS*.THydrogen-bonded Turntrans-92.7-3.6-177.557.80000114.5K49K49-T51 PolarHBondContact O-N 3.33Å; K49-T51 VanDerWaalsContact O-N 3.08Å
52E94.7Very high96.7Very high99 Ų9983.1 Ų83.146%0.46345%0.445SS..SBendtrans-107.3152.6-177.2-68.2175.2179.600110.3K49 W54K49-E52 HydrophobicContact CB-CB 4.28Å; K49-E52 HydrophobicContact CB-CG 4Å; K49-E52 HydrophobicContact CD-CG 4.49Å; K49-E52 VanDerWaalsContact CD-OE1 3.3Å; K49-E52 WeakPolarHBondContact CD-OE1 3.46Å; K49-E52 WeakPolarHBondContact CE-OE1 3.44Å; K49-E52 IonicContact NZ-OE1 2.74Å; K49-E52 PolarHBondContact NZ-OE1 3.43Å; K49-E52 PolarHBondContact O-N 3.49Å; K49-E52 VanDerWaalsContact O-N 3.12Å; E52-W54 PolarHBondContact O-NE1 3.46Å
53G94.5Very high96.7Very high83 Ų8375.8 Ų75.886%0.85641%0.411SS*.  trans-64.7136.7168.900000110.3
54W95.9Very high96.7Very high115 Ų11574.1 Ų74.144%0.43640%0.395SS..  trans-103.2130.3-179.1-56.4-17.6000111.2L48 K49 E52 I56 L64L48-W54 HydrophobicContact CD1-CD2 4Å; L48-W54 HydrophobicContact CD1-CE3 4.32Å; L48-W54 HydrophobicContact CD1-CG 4.12Å; K49-W54 PolarHBondContact O-NE1 3.02Å; E52-W54 PolarHBondContact O-NE1 3.46Å; W54-I56 HydrophobicContact CB-CD1 3.9Å; W54-I56 HydrophobicContact CB-CG1 4.05Å; W54-L64 HydrophobicContact CH2-CD1 3.64Å; W54-L64 HydrophobicContact CZ2-CD1 3.73Å
55D93.9Very high96.7Very high118 Ų11873.2 Ų73.263%0.63138%0.378SS*.  trans-102.4106.4163.9-17724.5000109R46R46-D55 PolarHBondContact NH2-O 3.35Å
56I95.6Very high96.6Very high54 Ų5478.8 Ų78.828%0.27740%0.398SS..  trans-103.8103.4-173.3-57.3-58.1000109.2L48 W54 Y62 F74 V76L48-I56 HydrophobicContact CD1-CD1 3.65Å; W54-I56 HydrophobicContact CB-CD1 3.9Å; W54-I56 HydrophobicContact CB-CG1 4.05Å; I56-Y62 HydrophobicContact CD1-CD2 4.03Å; I56-Y62 HydrophobicContact CD1-CE2 4.14Å; I56-Y62 HydrophobicContact CD1-CG 4.25Å; I56-Y62 HydrophobicContact CG2-CD2 4.3Å; I56-Y62 HydrophobicContact CG2-CE2 3.94Å; I56-F74 HydrophobicContact CD1-CE2 4.16Å; I56-F74 HydrophobicContact CD1-CZ 3.95Å; I56-F74 HydrophobicContact CG2-CE2 4.07Å; I56-V76 HydrophobicContact CG2-CG2 3.55Å
57V95.5Very high96.5Very high60 Ų6078.7 Ų78.736%0.36441%0.407SS..  trans-97.4142-177-1730000111.3N60 Y62V57-N60 WeakPolarHBondContact O-CB 3.24Å; V57-Y62 PolarHBondContact N-OH 2.94Å
58P96.5Very high96.3Very high47 Ų4778.9 Ų78.931%0.30542%0.416SS..THydrogen-bonded Turntrans-52.1158167.3-27.536.4000113.7N60P58-N60 PolarHBondContact O-N 3.28Å; P58-N60 PolarHBondContact O-ND2 3.18Å
59E97.3Very high96.2Very high160 Ų16079.9 Ų79.975%0.74842%0.424SS*.THydrogen-bonded Turntrans61.16.7-178.5-53-168.4152.400115.3V76 G78E59-V76 WeakPolarHBondContact CA-O 3.46Å; E59-V76 PolarHBondContact N-O 2.68Å; E59-G78 VanDerWaalsContact CG-CA 3.47Å
60N97.9Very high96.3Very high69 Ų6977.4 Ų77.437%0.36942%0.422SS..  trans-108165.1177.8-73.2-93.4000111.8V57 P58 Y62 V76V57-N60 WeakPolarHBondContact O-CB 3.24Å; P58-N60 PolarHBondContact O-N 3.28Å; P58-N60 PolarHBondContact O-ND2 3.18Å; N60-Y62 HydrophobicContact CB-CE1 4.24Å; N60-Y62 HydrophobicContact CB-CE2 3.66Å; N60-Y62 VanDerWaalsContact CB-CZ 3.43Å; N60-Y62 WeakPolarHBondContact CB-OH 3.38Å; N60-V76 PolarHBondContact O-N 2.74Å
61K98.5Very high96.6Very high82 Ų8275.2 Ų75.236%0.35741%0.413SS..EExtended strand (participates in β ladder)trans-131.3130.9-172.5-69.4179.7-75.1172.80109.8A43 F45 R46 A75A43-K61 PolarHBondContact O-NZ 3.19Å; F45-K61 WeakPolarHBondContact CA-O 3.46Å; F45-K61 HydrophobicContact CB-CB 4.34Å; F45-K61 HydrophobicContact CD1-CB 3.59Å; F45-K61 HydrophobicContact CD2-CB 4Å; F45-K61 HydrophobicContact CD2-CD 4.14Å; F45-K61 HydrophobicContact CE1-CB 3.75Å; F45-K61 HydrophobicContact CE1-CD 4.44Å; F45-K61 HydrophobicContact CE1-CG 4.25Å; F45-K61 HydrophobicContact CE2-CB 4.16Å; F45-K61 HydrophobicContact CE2-CD 3.7Å; F45-K61 HydrophobicContact CE2-CG 4.36Å; F45-K61 HydrophobicContact CG-CB 3.71Å; F45-K61 HydrophobicContact CZ-CB 4.03Å; F45-K61 HydrophobicContact CZ-CD 3.85Å; F45-K61 HydrophobicContact CZ-CG 4.14Å; R46-K61 PolarHBondContact N-O 2.83Å; K61-A75 HydrophobicContact CD-CB 4.4Å; K61-A75 HydrophobicContact CG-CB 3.77Å
62Y98.6Very high96.8Very high1 Ų173.8 Ų73.80%0.00440%0.399CS..EExtended strand (participates in β ladder)trans-135.8152.6-172-53.2-74.3000111.8F45 R46 L48 I56 V57 N60 A73 F74 V76F45-Y62 WeakPolarHBondContact CD1-O 3.3Å; R46-Y62 HydrophobicContact CB-CD1 4.04Å; R46-Y62 HydrophobicContact CB-CE1 4.37Å; R46-Y62 VanDerWaalsContact NH2-CE1 3.28Å; R46-Y62 CarbonylContact O-C 3.49Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.48Å; L48-Y62 HydrophobicContact CD1-CD1 4.24Å; L48-Y62 HydrophobicContact CD1-CG 4.07Å; L48-Y62 HydrophobicContact CD2-CD1 3.9Å; L48-Y62 HydrophobicContact CG-CD1 4.16Å; L48-Y62 HydrophobicContact CG-CG 4.4Å; I56-Y62 HydrophobicContact CD1-CD2 4.03Å; I56-Y62 HydrophobicContact CD1-CE2 4.14Å; I56-Y62 HydrophobicContact CD1-CG 4.25Å; I56-Y62 HydrophobicContact CG2-CD2 4.3Å; I56-Y62 HydrophobicContact CG2-CE2 3.94Å; V57-Y62 PolarHBondContact N-OH 2.94Å; N60-Y62 HydrophobicContact CB-CE1 4.24Å; N60-Y62 HydrophobicContact CB-CE2 3.66Å; N60-Y62 VanDerWaalsContact CB-CZ 3.43Å; N60-Y62 WeakPolarHBondContact CB-OH 3.38Å; Y62-A73 WeakPolarHBondContact O-CA 3.47Å; Y62-F74 HydrophobicContact CD2-CD2 4.18Å; Y62-F74 AromaticContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CZ 4.02Å; Y62-F74 HydrophobicContact CG-CE2 4.09Å; Y62-F74 HydrophobicContact CG-CZ 4.13Å; Y62-F74 PolarHBondContact N-O 3.14Å; Y62-F74 PolarHBondContact O-N 3.2Å; Y62-F74 VanDerWaalsContact O-O 3.14Å; Y62-V76 HydrophobicContact CD2-CG2 3.96Å; Y62-V76 HydrophobicContact CE2-CG2 3.78Å
63F98.7Very high96.9Very high0 Ų071.5 Ų71.50%040%0.397CS..EExtended strand (participates in β ladder)trans-144160.8165.976.7-82.4000110.9R37 L40 L41 F45 R46 E47 L48 T65 I71 I72 A73R37-F63 HydrophobicContact CB-CE2 4.12Å; R37-F63 HydrophobicContact CB-CZ 4.44Å; R37-F63 HydrophobicContact CG-CE2 3.7Å; R37-F63 HydrophobicContact CG-CZ 3.7Å; L40-F63 HydrophobicContact CB-CD1 4.02Å; L40-F63 HydrophobicContact CB-CE1 4.28Å; L40-F63 HydrophobicContact CB-CG 4.4Å; L40-F63 HydrophobicContact CD1-CB 3.89Å; L40-F63 HydrophobicContact CD1-CD1 4.35Å; L40-F63 HydrophobicContact CD1-CD2 4.24Å; L40-F63 HydrophobicContact CD1-CG 3.9Å; L41-F63 HydrophobicContact CD2-CE1 3.85Å; L41-F63 HydrophobicContact CD2-CZ 4.08Å; L41-F63 HydrophobicContact CG-CE1 4.05Å; L41-F63 HydrophobicContact CG-CZ 4.07Å; F45-F63 HydrophobicContact CB-CD1 3.8Å; F45-F63 HydrophobicContact CB-CE1 4.39Å; R46-F63 PolarHBondContact O-N 2.92Å; E47-F63 CarbonylContact C-O 3.59Å; E47-F63 WeakPolarHBondContact CA-O 3.48Å; E47-F63 HydrophobicContact CB-CD1 4.43Å; E47-F63 HydrophobicContact CB-CE1 3.68Å; E47-F63 HydrophobicContact CB-CE2 4.02Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.36Å; E47-F63 HydrophobicContact CG-CE1 4.25Å; E47-F63 HydrophobicContact CG-CE2 3.64Å; E47-F63 HydrophobicContact CG-CZ 3.57Å; L48-F63 PolarHBondContact N-O 2.81Å; F63-T65 HydrophobicContact CE2-CG2 4.49Å; F63-I71 HydrophobicContact CD2-CD1 3.88Å; F63-I71 HydrophobicContact CD2-CG1 4.21Å; F63-I71 HydrophobicContact CE2-CD1 4.44Å; F63-I72 CarbonylContact C-O 3.55Å; F63-I72 WeakPolarHBondContact CA-O 3.24Å; F63-I72 VanDerWaalsContact CB-O 3.28Å; F63-I72 WeakPolarHBondContact CB-O 3.37Å; F63-A73 HydrophobicContact CB-CB 3.84Å
64L98.4Very high97.1Very high16 Ų1670.5 Ų70.58%0.08437%0.369CS..EExtended strand (participates in β ladder)trans-142160.1170.369160.2000109.8L48 W54 I71 I72 F74L48-L64 HydrophobicContact CB-CB 4.42Å; W54-L64 HydrophobicContact CH2-CD1 3.64Å; W54-L64 HydrophobicContact CZ2-CD1 3.73Å; L64-I71 WeakPolarHBondContact O-CA 3.3Å; L64-I71 WeakPolarHBondContact O-CG1 3.37Å; L64-I72 HydrophobicContact CD2-CB 3.83Å; L64-I72 HydrophobicContact CD2-CG2 4.2Å; L64-I72 PolarHBondContact N-O 2.81Å; L64-I72 PolarHBondContact O-N 2.83Å; L64-F74 HydrophobicContact CD2-CE1 4.32Å
65T98.1Very high97.2Very high35 Ų3568.3 Ų68.322%0.21538%0.376CS..EExtended strand (participates in β ladder)trans-120.3148.4172.767.10000110.2V33 F63 S70 I71V33-T65 HydrophobicContact CG1-CG2 3.56Å; F63-T65 HydrophobicContact CE2-CG2 4.49Å; T65-S70 CarbonylContact C-O 3.58Å; T65-S70 VanDerWaalsContact CA-O 3.24Å; T65-S70 WeakPolarHBondContact CA-O 3.5Å; T65-S70 WeakPolarHBondContact CB-O 3.41Å; T65-I71 HydrophobicContact CG2-CB 4.27Å; T65-I71 HydrophobicContact CG2-CD1 4.08Å; T65-I71 HydrophobicContact CG2-CG1 3.99Å
66R97.1Very high97.4Very high154 Ų15463.3 Ų63.358%0.58135%0.35SS*.EExtended strand (participates in β ladder)trans-123129.4170.5-176.115067.5-171.14.1109.6E50 S68 S69 S70E50-R66 VanDerWaalsContact OE1-CD 3.32Å; E50-R66 WeakPolarHBondContact OE1-CD 3.47Å; E50-R66 IonicContact OE1-CZ 3.88Å; E50-R66 IonicContact OE1-NH1 2.96Å; E50-R66 PolarHBondContact OE1-NH1 2.99Å; E50-R66 WeakPolarHBondContact OE2-CD 3.43Å; R66-S68 PolarHBondContact O-N 2.97Å; R66-S69 PolarHBondContact O-N 2.84Å; R66-S70 PolarHBondContact N-O 3.15Å; R66-S70 PolarHBondContact O-N 2.95Å; R66-S70 VanDerWaalsContact O-N 3.14Å
67N95.1Very high97.4Very high127 Ų12763 Ų6368%0.67936%0.359SS*.THydrogen-bonded Turntrans52.522.3-175.9-168.834.7000113.8S69N67-S69 PolarHBondContact ND2-OG 2.97Å; N67-S69 PolarHBondContact O-N 3.22Å; N67-S69 PolarHBondContact O-OG 2.94Å
68S94.6Very high97.4Very high69 Ų6961.6 Ų61.648%0.48336%0.357SS..THydrogen-bonded Turntrans51.213.1-173.2-54.50000115.9F30 V33 R66F30-S68 WeakPolarHBondContact CA-O 3.47Å; F30-S68 WeakPolarHBondContact CD1-O 3.47Å; V33-S68 WeakPolarHBondContact CB-O 3.5Å; R66-S68 PolarHBondContact O-N 2.97Å
69S96.6Very high97.3Very high37 Ų3767.8 Ų67.826%0.25938%0.382SS..THydrogen-bonded Turntrans-125.4-4-176.150.40000112.4R66 N67R66-S69 PolarHBondContact O-N 2.84Å; N67-S69 PolarHBondContact ND2-OG 2.97Å; N67-S69 PolarHBondContact O-N 3.22Å; N67-S69 PolarHBondContact O-OG 2.94Å
70S97.8Very high97.2Very high71 Ų7166.1 Ų66.150%0.49737%0.37SS..EExtended strand (participates in β ladder)trans-129.3144.5167.3-64.50000109.7T65 R66T65-S70 CarbonylContact C-O 3.58Å; T65-S70 VanDerWaalsContact CA-O 3.24Å; T65-S70 WeakPolarHBondContact CA-O 3.5Å; T65-S70 WeakPolarHBondContact CB-O 3.41Å; R66-S70 PolarHBondContact N-O 3.15Å; R66-S70 PolarHBondContact O-N 2.95Å; R66-S70 VanDerWaalsContact O-N 3.14Å
71I98.5Very high96.8Very high50 Ų5067.1 Ų67.126%0.25638%0.378SS..EExtended strand (participates in β ladder)trans-135.6137.3177.1-169.9165.5000109.7V33 C36 R37 L40 F63 L64 T65V33-I71 HydrophobicContact CG1-CB 4.22Å; V33-I71 HydrophobicContact CG1-CD1 4.5Å; V33-I71 HydrophobicContact CG2-CB 4.23Å; V33-I71 HydrophobicContact CG2-CG2 4.24Å; C36-I71 HydrophobicContact CB-CD1 3.86Å; C36-I71 HydrophobicContact CB-CG2 4.25Å; R37-I71 HydrophobicContact CB-CD1 4.45Å; L40-I71 HydrophobicContact CD1-CD1 3.56Å; L40-I71 HydrophobicContact CD1-CG1 4.32Å; F63-I71 HydrophobicContact CD2-CD1 3.88Å; F63-I71 HydrophobicContact CD2-CG1 4.21Å; F63-I71 HydrophobicContact CE2-CD1 4.44Å; L64-I71 WeakPolarHBondContact O-CA 3.3Å; L64-I71 WeakPolarHBondContact O-CG1 3.37Å; T65-I71 HydrophobicContact CG2-CB 4.27Å; T65-I71 HydrophobicContact CG2-CD1 4.08Å; T65-I71 HydrophobicContact CG2-CG1 3.99Å
72I98.4Very high96.2Very high103 Ų10368.1 Ų68.153%0.52839%0.393SS..EExtended strand (participates in β ladder)trans-121.7129.2171.8-62.6172.6000106.6F63 L64 F74F63-I72 CarbonylContact C-O 3.55Å; F63-I72 WeakPolarHBondContact CA-O 3.24Å; F63-I72 VanDerWaalsContact CB-O 3.28Å; F63-I72 WeakPolarHBondContact CB-O 3.37Å; L64-I72 HydrophobicContact CD2-CB 3.83Å; L64-I72 HydrophobicContact CD2-CG2 4.2Å; L64-I72 PolarHBondContact N-O 2.81Å; L64-I72 PolarHBondContact O-N 2.83Å; I72-F74 HydrophobicContact CG2-CD1 4.37Å
73A98.5Very high95.5Very high50 Ų5072 Ų7241%0.41343%0.433SS..EExtended strand (participates in β ladder)trans-128.2137.617500000109.4L40 F45 Y62 F63L40-A73 HydrophobicContact CD1-CB 3.78Å; L40-A73 HydrophobicContact CD2-CB 3.71Å; L40-A73 HydrophobicContact CG-CB 4.42Å; F45-A73 HydrophobicContact CD1-CB 4.43Å; F45-A73 HydrophobicContact CE1-CB 4.19Å; Y62-A73 WeakPolarHBondContact O-CA 3.47Å; F63-A73 HydrophobicContact CB-CB 3.84Å
74F98.3Very high93.9Very high62 Ų6279 Ų7927%0.27247%0.471SS..EExtended strand (participates in β ladder)trans-144.9147.3-179.259.7-84.6000111.3L48 I56 Y62 L64 I72 V76L48-F74 HydrophobicContact CD1-CE1 4.37Å; L48-F74 HydrophobicContact CD1-CZ 3.96Å; I56-F74 HydrophobicContact CD1-CE2 4.16Å; I56-F74 HydrophobicContact CD1-CZ 3.95Å; I56-F74 HydrophobicContact CG2-CE2 4.07Å; Y62-F74 HydrophobicContact CD2-CD2 4.18Å; Y62-F74 AromaticContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CZ 4.02Å; Y62-F74 HydrophobicContact CG-CE2 4.09Å; Y62-F74 HydrophobicContact CG-CZ 4.13Å; Y62-F74 PolarHBondContact N-O 3.14Å; Y62-F74 PolarHBondContact O-N 3.2Å; Y62-F74 VanDerWaalsContact O-O 3.14Å; L64-F74 HydrophobicContact CD2-CE1 4.32Å; I72-F74 HydrophobicContact CG2-CD1 4.37Å; F74-V76 HydrophobicContact CD2-CG2 4.05Å; F74-V76 HydrophobicContact CE2-CG2 4.11Å
75A98.1Very high91.9Very high69 Ų6985.1 Ų85.157%0.5754%0.538SS*.EExtended strand (participates in β ladder)trans-114.8124.7173.900000108K61 G77K61-A75 HydrophobicContact CD-CB 4.4Å; K61-A75 HydrophobicContact CG-CB 3.77Å; A75-G77 PolarHBondContact O-N 3.12Å
76V97.1Very high91.6Very high14 Ų1487.6 Ų87.69%0.08555%0.554CS.*  trans-84.9116.1-177.6-169.10000108.3I56 E59 N60 Y62 F74 Y80I56-V76 HydrophobicContact CG2-CG2 3.55Å; E59-V76 WeakPolarHBondContact CA-O 3.46Å; E59-V76 PolarHBondContact N-O 2.68Å; N60-V76 PolarHBondContact O-N 2.74Å; Y62-V76 HydrophobicContact CD2-CG2 3.96Å; Y62-V76 HydrophobicContact CE2-CG2 3.78Å; F74-V76 HydrophobicContact CD2-CG2 4.05Å; F74-V76 HydrophobicContact CE2-CG2 4.11Å; V76-Y80 HydrophobicContact CG1-CD1 3.59Å; V76-Y80 HydrophobicContact CG1-CE1 4.47Å; V76-Y80 HydrophobicContact CG1-CG 3.84Å
77G96.3Very high91.3Very high46 Ų4684.1 Ų84.147%0.47455%0.553SS.*  trans-59.3143.517700000111.2A75 Q79 Y80A75-G77 PolarHBondContact O-N 3.12Å; G77-Q79 PolarHBondContact O-N 3.08Å; G77-Q79 VanDerWaalsContact O-N 3.08Å; G77-Y80 WeakPolarHBondContact O-CB 3.32Å; G77-Y80 PolarHBondContact O-N 2.99Å
78G95.8Very high91.1Very high31 Ų3181.7 Ų81.732%0.3255%0.546SS..THydrogen-bonded Turntrans-62.6-18.5-175.700000115E59E59-G78 VanDerWaalsContact CG-CA 3.47Å
79Q94.3Very high90.9Very high177 Ų17782.5 Ų82.583%0.82755%0.549SS*.THydrogen-bonded Turntrans-105.412.1176.9-57.9-60.2-72.700112.6G77 V81G77-Q79 PolarHBondContact O-N 3.08Å; G77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-V81 PolarHBondContact O-N 2.96Å
80Y93.7Very high90.6Very high125 Ų12585.3 Ų85.349%0.4957%0.567SS.*  trans-65130.4175.5172.3-103000110.3V76 G77 P82V76-Y80 HydrophobicContact CG1-CD1 3.59Å; V76-Y80 HydrophobicContact CG1-CE1 4.47Å; V76-Y80 HydrophobicContact CG1-CG 3.84Å; G77-Y80 WeakPolarHBondContact O-CB 3.32Å; G77-Y80 PolarHBondContact O-N 2.99Å; Y80-P82 HydrophobicContact CE1-CG 4.32Å
81V89.7Confident90.1Very high90 Ų9086.3 Ų86.355%0.54557%0.572SS.*  trans-130.4133.8172.1-178.20000107.6Q79 G83 N84Q79-V81 PolarHBondContact O-N 2.96Å; V81-G83 PolarHBondContact O-N 3.37Å; V81-N84 PolarHBondContact O-N 3.15Å
82P87.5Confident89.5Confident103 Ų10388.9 Ų88.967%0.66960%0.595SS**THydrogen-bonded Turntrans-54137.2175.4-26.234.8000112.2Y80Y80-P82 HydrophobicContact CE1-CG 4.32Å
83G82.4Confident88.8Confident83 Ų8387.8 Ų87.886%0.85660%0.6SS**THydrogen-bonded Turntrans87.80.3176.700000116.3V81 G85V81-G83 PolarHBondContact O-N 3.37Å; G83-G85 VanDerWaalsContact C-N 3.34Å
84N66.4Low88Confident146 Ų14690.9 Ų90.978%0.78162%0.615SS**  trans-97.636.4175.3-163.336.2000113V81V81-N84 PolarHBondContact O-N 3.15Å
85G56.3Low87Confident145 Ų14593.5 Ų93.5100%1.49565%0.647SS**  trans-116.30-177.600000112.5G83G83-G85 VanDerWaalsContact C-N 3.34Å

Retrieved 85 of 85 residues in 60.5 ms (Link to these results)