X2JLD3_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JLD3, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG45491, Length 92 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
1M41.7Very low63.1Low237 Ų237129.8 Ų129.8100%1.16767%0.672SS**  0114.70-60.2-176.5-167.100107.3Q3M1-Q3 PolarHBondContact O-N 2.96Å
2S48.8Very low64.8Low121 Ų121122.9 Ų122.985%0.84664%0.639SS**  trans-58113.2178.4-61.60000108K4S2-K4 VanDerWaalsContact C-N 3.25Å; S2-K4 PolarHBondContact O-N 3.27Å
3Q52.2Low66.6Low192 Ų192121.8 Ų121.890%0.89763%0.633SS**  trans-51.1104.1164.1-80173.6-4000104.7M1 K5M1-Q3 PolarHBondContact O-N 2.96Å; Q3-K5 PolarHBondContact O-N 3.38Å
4K51.1Low67.8Low179 Ų179122.5 Ų122.578%0.77863%0.632SS**  trans-62.292.5-178.3-167.6173.5-178.3175.90103.1S2 S6S2-K4 VanDerWaalsContact C-N 3.25Å; S2-K4 PolarHBondContact O-N 3.27Å; K4-S6 PolarHBondContact O-N 3.19Å
5K52.1Low68.8Low192 Ų192115.3 Ų115.384%0.83560%0.596SS**  trans-46.2104.5166.8-99.8175.8173.8172.70101.7Q3 N7Q3-K5 PolarHBondContact O-N 3.38Å; K5-N7 PolarHBondContact O-N 3.44Å
6S56.9Low70Confident101 Ų101111.6 Ų111.671%0.70658%0.577SS**  trans-6580.9177.8154.30000103.4K4 I8K4-S6 PolarHBondContact O-N 3.19Å; S6-I8 PolarHBondContact O-N 3.43Å
7N71.2Confident71Confident81 Ų81112.4 Ų112.443%0.43358%0.582SS.*  trans-65.5126.5-167.4-171.6-10.9000104.7K5 S9 H10K5-N7 PolarHBondContact O-N 3.44Å; N7-S9 PolarHBondContact O-N 2.93Å; N7-S9 PolarHBondContact OD1-N 3.37Å; N7-S9 PolarHBondContact OD1-OG 2.8Å; N7-H10 PolarHBondContact O-N 2.76Å
8I75.4Confident71.6Confident124 Ų124111.1 Ų111.164%0.63659%0.59SS**Hα-helixtrans-48.8-29.5-179.7-167.5157.7000111.2S6 H10 L11 V12S6-I8 PolarHBondContact O-N 3.43Å; I8-H10 PolarHBondContact O-N 2.71Å; I8-L11 PolarHBondContact O-N 2.96Å; I8-L11 VanDerWaalsContact O-N 3.12Å; I8-V12 HydrophobicContact CG1-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.27Å; I8-V12 PolarHBondContact O-N 3.33Å
9S83.9Confident72.2Confident58 Ų58108.2 Ų108.241%0.40657%0.574SS.*Hα-helixtrans-51.6-45.2170.5-48.90000114.3N7 L11 V12 I13N7-S9 PolarHBondContact O-N 2.93Å; N7-S9 PolarHBondContact OD1-N 3.37Å; N7-S9 PolarHBondContact OD1-OG 2.8Å; S9-L11 VanDerWaalsContact C-N 3.3Å; S9-L11 PolarHBondContact O-N 2.93Å; S9-V12 PolarHBondContact O-N 3.35Å; S9-I13 VanDerWaalsContact O-CG1 3.27Å; S9-I13 WeakPolarHBondContact O-CG1 3.31Å; S9-I13 PolarHBondContact O-N 3Å
10H83.3Confident73Confident109 Ų109111.1 Ų111.151%0.50559%0.59SS.*Hα-helixtrans-64.3-38.6178.6-7490.6000111.4N7 I8 I13 Q14N7-H10 PolarHBondContact O-N 2.76Å; I8-H10 PolarHBondContact O-N 2.71Å; H10-I13 PolarHBondContact O-N 2.66Å; H10-Q14 WeakPolarHBondContact O-CB 3.48Å; H10-Q14 VanDerWaalsContact O-CG 3.31Å; H10-Q14 WeakPolarHBondContact O-CG 3.44Å; H10-Q14 PolarHBondContact O-N 3.44Å
11L78Confident73.7Confident34 Ų34108.3 Ų108.318%0.17859%0.588CS.*Hα-helixtrans-70.5-39179.1-169.2135.4000111I8 S9 Q14 C15 V32I8-L11 PolarHBondContact O-N 2.96Å; I8-L11 VanDerWaalsContact O-N 3.12Å; S9-L11 VanDerWaalsContact C-N 3.3Å; S9-L11 PolarHBondContact O-N 2.93Å; L11-Q14 PolarHBondContact O-N 2.86Å; L11-C15 PolarHBondContact O-N 2.99Å; L11-C15 PolarHBondContact O-SG 3.13Å; L11-V32 HydrophobicContact CD2-CB 3.87Å; L11-V32 HydrophobicContact CD2-CG1 3.66Å; L11-V32 HydrophobicContact CD2-CG2 3.15Å
12V83.1Confident75.8Confident47 Ų47104.9 Ų104.929%0.28557%0.567SS.*Hα-helixtrans-60.2-46.8172.2171.30000111.1I8 S9 Q14 C15 I16 I28I8-V12 HydrophobicContact CG1-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.27Å; I8-V12 PolarHBondContact O-N 3.33Å; S9-V12 PolarHBondContact O-N 3.35Å; V12-Q14 PolarHBondContact O-N 3.49Å; V12-C15 WeakPolarHBondContact O-CB 3.38Å; V12-C15 PolarHBondContact O-N 3.24Å; V12-I16 HydrophobicContact CG1-CD1 3.88Å; V12-I16 WeakPolarHBondContact O-CG1 3.23Å; V12-I16 PolarHBondContact O-N 3.49Å; V12-I28 HydrophobicContact CG1-CD1 4.23Å; V12-I28 HydrophobicContact CG2-CG2 4.15Å
13I88Confident77.6Confident108 Ų108100.1 Ų100.155%0.55454%0.535SS*.Hα-helixtrans-59.9-47.2177.3-68.7164.2000110.5S9 H10 C15 I16 D17S9-I13 VanDerWaalsContact O-CG1 3.27Å; S9-I13 WeakPolarHBondContact O-CG1 3.31Å; S9-I13 PolarHBondContact O-N 3Å; H10-I13 PolarHBondContact O-N 2.66Å; I13-C15 VanDerWaalsContact C-N 3.28Å; I13-C15 PolarHBondContact O-N 3.38Å; I13-I16 PolarHBondContact O-N 3.35Å; I13-I16 VanDerWaalsContact O-N 3.17Å; I13-D17 WeakPolarHBondContact O-CB 3.49Å; I13-D17 PolarHBondContact O-N 3.17Å
14Q83.7Confident79.4Confident132 Ų13293.1 Ų93.162%0.61751%0.507SS*.Hα-helixtrans-60.7-36.4176.4-75.5177.6-19.600112.7H10 L11 V12 A18H10-Q14 WeakPolarHBondContact O-CB 3.48Å; H10-Q14 VanDerWaalsContact O-CG 3.31Å; H10-Q14 WeakPolarHBondContact O-CG 3.44Å; H10-Q14 PolarHBondContact O-N 3.44Å; L11-Q14 PolarHBondContact O-N 2.86Å; V12-Q14 PolarHBondContact O-N 3.49Å; Q14-A18 VanDerWaalsContact O-CB 3.23Å; Q14-A18 WeakPolarHBondContact O-CB 3.49Å; Q14-A18 PolarHBondContact O-N 2.63Å
15C82.1Confident81.1Confident15 Ų1592.5 Ų92.510%0.10150%0.504CS..Hα-helixtrans-65.7-44.1174.8-71.50000111.6L11 V12 I13 M19 I28L11-C15 PolarHBondContact O-N 2.99Å; L11-C15 PolarHBondContact O-SG 3.13Å; V12-C15 WeakPolarHBondContact O-CB 3.38Å; V12-C15 PolarHBondContact O-N 3.24Å; I13-C15 VanDerWaalsContact C-N 3.28Å; I13-C15 PolarHBondContact O-N 3.38Å; C15-M19 HydrophobicContact CB-CE 3.98Å; C15-M19 WeakPolarHBondContact O-CE 3.46Å; C15-M19 WeakPolarHBondContact O-CG 3.34Å; C15-M19 PolarHBondContact O-N 2.9Å; C15-I28 HydrophobicContact CB-CG1 4.36Å; C15-I28 HydrophobicContact CB-CG2 4.25Å
16I88.2Confident82.8Confident56 Ų5690.9 Ų90.929%0.28750%0.5SS..Hα-helixtrans-64.9-45.2178.4-66.8166.5000110.6V12 I13 A18 M19 G21 A23 I28V12-I16 HydrophobicContact CG1-CD1 3.88Å; V12-I16 WeakPolarHBondContact O-CG1 3.23Å; V12-I16 PolarHBondContact O-N 3.49Å; I13-I16 PolarHBondContact O-N 3.35Å; I13-I16 VanDerWaalsContact O-N 3.17Å; I16-A18 PolarHBondContact O-N 3.12Å; I16-M19 CarbonylContact O-C 3.4Å; I16-M19 WeakPolarHBondContact O-CA 3.5Å; I16-M19 PolarHBondContact O-N 3.04Å; I16-G21 WeakPolarHBondContact CG2-O 3.37Å; I16-G21 WeakPolarHBondContact O-CA 3.04Å; I16-G21 PolarHBondContact O-N 3.18Å; I16-A23 HydrophobicContact CG1-CB 4.14Å; I16-I28 HydrophobicContact CD1-CD1 4.32Å; I16-I28 HydrophobicContact CG1-CD1 4.06Å; I16-I28 HydrophobicContact CG1-CG1 4.46Å
17D87.6Confident84.1Confident125 Ų12590.8 Ų90.867%0.66849%0.489SS*.Hα-helixtrans-61.7-43.2179-167.943.9000111.8I13 M19 D20I13-D17 WeakPolarHBondContact O-CB 3.49Å; I13-D17 PolarHBondContact O-N 3.17Å; D17-M19 PolarHBondContact O-N 3.33Å; D17-M19 VanDerWaalsContact O-N 3.13Å; D17-D20 PolarHBondContact O-N 3.2Å
18A81.6Confident84.7Confident88 Ų8888.1 Ų88.173%0.72748%0.475SS*.THydrogen-bonded Turntrans-67.3-10.3174.800000114.4Q14 I16Q14-A18 VanDerWaalsContact O-CB 3.23Å; Q14-A18 WeakPolarHBondContact O-CB 3.49Å; Q14-A18 PolarHBondContact O-N 2.63Å; I16-A18 PolarHBondContact O-N 3.12Å
19M83.5Confident85.1Confident56 Ų5687.1 Ų87.128%0.27647%0.47SS..THydrogen-bonded Turntrans-113.131.7177.5-67.7-174.3-87.200111.5C15 I16 D17 G21 F22 A23 M27 I28 A31C15-M19 HydrophobicContact CB-CE 3.98Å; C15-M19 WeakPolarHBondContact O-CE 3.46Å; C15-M19 WeakPolarHBondContact O-CG 3.34Å; C15-M19 PolarHBondContact O-N 2.9Å; I16-M19 CarbonylContact O-C 3.4Å; I16-M19 WeakPolarHBondContact O-CA 3.5Å; I16-M19 PolarHBondContact O-N 3.04Å; D17-M19 PolarHBondContact O-N 3.33Å; D17-M19 VanDerWaalsContact O-N 3.13Å; M19-G21 VanDerWaalsContact C-N 3.27Å; M19-G21 PolarHBondContact O-N 2.91Å; M19-F22 WeakPolarHBondContact CB-O 3.41Å; M19-F22 PolarHBondContact O-N 2.97Å; M19-A23 HydrophobicContact CB-CB 4.33Å; M19-A23 HydrophobicContact CE-CB 3.24Å; M19-A23 HydrophobicContact SD-CB 3.83Å; M19-M27 HydrophobicContact CE-CB 4.18Å; M19-M27 HydrophobicContact SD-CB 3.84Å; M19-M27 HydrophobicContact SD-SD 4.43Å; M19-I28 HydrophobicContact CE-CG1 4.23Å; M19-A31 HydrophobicContact CE-CB 4.49Å
20D87.1Confident85Confident166 Ų16690.8 Ų90.889%0.88848%0.479SS*.THydrogen-bonded Turntrans55.736.6178.8-82.7-26.9000113.9D17 F22D17-D20 PolarHBondContact O-N 3.2Å; D20-F22 VanDerWaalsContact C-N 3.31Å; D20-F22 PolarHBondContact O-N 3.21Å
21G89.1Confident84.8Confident54 Ų5487.1 Ų87.156%0.55747%0.467SS*.THydrogen-bonded Turntrans83.7-1.2173.100000115.1I16 M19I16-G21 WeakPolarHBondContact CG2-O 3.37Å; I16-G21 WeakPolarHBondContact O-CA 3.04Å; I16-G21 PolarHBondContact O-N 3.18Å; M19-G21 VanDerWaalsContact C-N 3.27Å; M19-G21 PolarHBondContact O-N 2.91Å
22F85Confident84.9Confident164 Ų16487.1 Ų87.172%0.71947%0.469SS*.  trans-130.6124176.6-179.8-96.1000112M19 D20M19-F22 WeakPolarHBondContact CB-O 3.41Å; M19-F22 PolarHBondContact O-N 2.97Å; D20-F22 VanDerWaalsContact C-N 3.31Å; D20-F22 PolarHBondContact O-N 3.21Å
23A86.7Confident84.7Confident21 Ų2187.8 Ų87.817%0.17448%0.475CS..  trans-150136.6174.500000112.2I16 M19 M27 I28I16-A23 HydrophobicContact CG1-CB 4.14Å; M19-A23 HydrophobicContact CB-CB 4.33Å; M19-A23 HydrophobicContact CE-CB 3.24Å; M19-A23 HydrophobicContact SD-CB 3.83Å; A23-M27 HydrophobicContact CB-CB 4.48Å; A23-I28 HydrophobicContact CB-CD1 4.18Å; A23-I28 HydrophobicContact CB-CG1 3.78Å
24S90.1Very high84.3Confident45 Ų4588.9 Ų88.932%0.31548%0.476SS..  trans-75.1160.1169.276.70000111E26 M27 I28S24-E26 PolarHBondContact O-N 3.44Å; S24-M27 WeakPolarHBondContact O-CB 3.42Å; S24-M27 PolarHBondContact O-N 2.93Å; S24-M27 VanDerWaalsContact O-N 3.08Å; S24-M27 WeakPolarHBondContact OG-CG 3.49Å; S24-M27 PolarHBondContact OG-N 2.96Å; S24-I28 WeakPolarHBondContact O-CG1 3.37Å; S24-I28 PolarHBondContact O-N 3.42Å
25K87.5Confident84Confident167 Ų16784.6 Ų84.673%0.72646%0.464SS*.Hα-helixtrans-54-40.3174.5-177.3-179.5176.3-175.70112.1I28 L29K25-I28 PolarHBondContact O-N 3.08Å; K25-L29 HydrophobicContact CG-CD1 4.14Å; K25-L29 WeakPolarHBondContact O-CB 3.32Å; K25-L29 VanDerWaalsContact O-CG 3.32Å; K25-L29 WeakPolarHBondContact O-CG 3.5Å; K25-L29 PolarHBondContact O-N 3.25Å
26E86.1Confident83.7Confident158 Ų15886.4 Ų86.474%0.73847%0.474SS*.Hα-helixtrans-64.9-41.2177.9-65.6-177.8173.300112.1S24 L29 K30S24-E26 PolarHBondContact O-N 3.44Å; E26-L29 PolarHBondContact O-N 3.24Å; E26-K30 VanDerWaalsContact O-CB 3.28Å; E26-K30 WeakPolarHBondContact O-CB 3.34Å; E26-K30 PolarHBondContact O-N 2.84Å
27M84.2Confident83.1Confident99 Ų9987.3 Ų87.349%0.48848%0.48SS..Hα-helixtrans-64.9-43.5176.2-70.7175.4176.400111.5M19 A23 S24 K30 A31M19-M27 HydrophobicContact CE-CB 4.18Å; M19-M27 HydrophobicContact SD-CB 3.84Å; M19-M27 HydrophobicContact SD-SD 4.43Å; A23-M27 HydrophobicContact CB-CB 4.48Å; S24-M27 WeakPolarHBondContact O-CB 3.42Å; S24-M27 PolarHBondContact O-N 2.93Å; S24-M27 VanDerWaalsContact O-N 3.08Å; S24-M27 WeakPolarHBondContact OG-CG 3.49Å; S24-M27 PolarHBondContact OG-N 2.96Å; M27-K30 PolarHBondContact O-N 3.4Å; M27-A31 WeakPolarHBondContact O-CB 3.32Å; M27-A31 PolarHBondContact O-N 3.11Å
28I84.8Confident82.3Confident24 Ų2489.3 Ų89.312%0.12348%0.482CS..Hα-helixtrans-59.5-52.5175.5-65.2162.3000109.3V12 C15 I16 M19 A23 S24 K25 K30 A31 V32V12-I28 HydrophobicContact CG1-CD1 4.23Å; V12-I28 HydrophobicContact CG2-CG2 4.15Å; C15-I28 HydrophobicContact CB-CG1 4.36Å; C15-I28 HydrophobicContact CB-CG2 4.25Å; I16-I28 HydrophobicContact CD1-CD1 4.32Å; I16-I28 HydrophobicContact CG1-CD1 4.06Å; I16-I28 HydrophobicContact CG1-CG1 4.46Å; M19-I28 HydrophobicContact CE-CG1 4.23Å; A23-I28 HydrophobicContact CB-CD1 4.18Å; A23-I28 HydrophobicContact CB-CG1 3.78Å; S24-I28 WeakPolarHBondContact O-CG1 3.37Å; S24-I28 PolarHBondContact O-N 3.42Å; K25-I28 PolarHBondContact O-N 3.08Å; I28-K30 VanDerWaalsContact C-N 3.31Å; I28-K30 PolarHBondContact O-N 2.81Å; I28-A31 WeakPolarHBondContact O-CB 3.49Å; I28-A31 PolarHBondContact O-N 2.85Å; I28-A31 VanDerWaalsContact O-N 3.11Å; I28-V32 HydrophobicContact CG2-CG2 4.03Å; I28-V32 WeakPolarHBondContact O-CG2 3.28Å; I28-V32 PolarHBondContact O-N 3.33Å
29L83.5Confident82Confident104 Ų10491.7 Ų91.755%0.54548%0.476SS..Hα-helixtrans-57.1-43.1178.3-74171.9000112.3K25 E26 V32 S33K25-L29 HydrophobicContact CG-CD1 4.14Å; K25-L29 WeakPolarHBondContact O-CB 3.32Å; K25-L29 VanDerWaalsContact O-CG 3.32Å; K25-L29 WeakPolarHBondContact O-CG 3.5Å; K25-L29 PolarHBondContact O-N 3.25Å; E26-L29 PolarHBondContact O-N 3.24Å; L29-V32 PolarHBondContact O-N 3.33Å; L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 2.88Å
30K81.9Confident81.4Confident135 Ų13595.7 Ų95.759%0.58749%0.492SS*.Hα-helixtrans-63.9-40.7176.6-171.3175.2-173.6174.40111.9E26 M27 I28 K34E26-K30 VanDerWaalsContact O-CB 3.28Å; E26-K30 WeakPolarHBondContact O-CB 3.34Å; E26-K30 PolarHBondContact O-N 2.84Å; M27-K30 PolarHBondContact O-N 3.4Å; I28-K30 VanDerWaalsContact C-N 3.31Å; I28-K30 PolarHBondContact O-N 2.81Å; K30-K34 WeakPolarHBondContact O-CB 3.05Å; K30-K34 VanDerWaalsContact O-CG 3.32Å; K30-K34 WeakPolarHBondContact O-CG 3.36Å; K30-K34 PolarHBondContact O-N 3.41Å
31A79.9Confident80.8Confident31 Ų3197 Ų9726%0.25649%0.485SS..Hα-helixtrans-66.9-44.4176.300000111.5M19 M27 I28 K34 A35M19-A31 HydrophobicContact CE-CB 4.49Å; M27-A31 WeakPolarHBondContact O-CB 3.32Å; M27-A31 PolarHBondContact O-N 3.11Å; I28-A31 WeakPolarHBondContact O-CB 3.49Å; I28-A31 PolarHBondContact O-N 2.85Å; I28-A31 VanDerWaalsContact O-N 3.11Å; A31-K34 PolarHBondContact O-N 3Å; A31-A35 WeakPolarHBondContact O-CB 3.29Å; A31-A35 PolarHBondContact O-N 3.26Å
32V78.8Confident80.2Confident35 Ų35101.4 Ų101.421%0.21249%0.489CS..Hα-helixtrans-60.1-46.6175-1780000110.5L11 I28 L29 A35 T36L11-V32 HydrophobicContact CD2-CB 3.87Å; L11-V32 HydrophobicContact CD2-CG1 3.66Å; L11-V32 HydrophobicContact CD2-CG2 3.15Å; I28-V32 HydrophobicContact CG2-CG2 4.03Å; I28-V32 WeakPolarHBondContact O-CG2 3.28Å; I28-V32 PolarHBondContact O-N 3.33Å; L29-V32 PolarHBondContact O-N 3.33Å; V32-A35 PolarHBondContact O-N 3.32Å; V32-T36 VanDerWaalsContact O-CB 3.23Å; V32-T36 WeakPolarHBondContact O-CB 3.32Å; V32-T36 PolarHBondContact O-N 2.74Å; V32-T36 PolarHBondContact O-OG1 2.93Å
33S80.3Confident79.8Confident61 Ų6198.5 Ų98.543%0.42748%0.479SS..Hα-helixtrans-57.7-54.8177.2-1700000110.1L29 A35 T36 D37L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 2.88Å; S33-A35 VanDerWaalsContact C-N 3.31Å; S33-A35 PolarHBondContact O-N 2.89Å; S33-T36 CarbonylContact O-C 3.59Å; S33-T36 WeakPolarHBondContact O-CA 3.32Å; S33-T36 WeakPolarHBondContact O-CB 3.23Å; S33-T36 PolarHBondContact O-N 2.98Å; S33-D37 PolarHBondContact O-N 2.89Å; S33-D37 VanDerWaalsContact O-OD2 3.08Å; S33-D37 PolarHBondContact OG-OD2 3.09Å
34K79.1Confident79.6Confident130 Ų13098.7 Ų98.757%0.56548%0.483SS*.Hα-helixtrans-57-41.6178-73.9177.7176.1-171.40113.2K30 A31 T36 K38K30-K34 WeakPolarHBondContact O-CB 3.05Å; K30-K34 VanDerWaalsContact O-CG 3.32Å; K30-K34 WeakPolarHBondContact O-CG 3.36Å; K30-K34 PolarHBondContact O-N 3.41Å; A31-K34 PolarHBondContact O-N 3Å; K34-T36 VanDerWaalsContact C-N 3.29Å; K34-K38 VanDerWaalsContact O-CB 3.31Å; K34-K38 WeakPolarHBondContact O-CB 3.4Å; K34-K38 PolarHBondContact O-N 3.02Å
35A77.1Confident79.2Confident43 Ų43104.3 Ų104.336%0.35550%0.497SS..Hα-helixtrans-65.4-37.4177.100000111.5A31 V32 S33 K39A31-A35 WeakPolarHBondContact O-CB 3.29Å; A31-A35 PolarHBondContact O-N 3.26Å; V32-A35 PolarHBondContact O-N 3.32Å; S33-A35 VanDerWaalsContact C-N 3.31Å; S33-A35 PolarHBondContact O-N 2.89Å; A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 VanDerWaalsContact O-CG 3.29Å; A35-K39 WeakPolarHBondContact O-CG 3.31Å; A35-K39 PolarHBondContact O-N 2.72Å
36T76.7Confident79Confident53 Ų53104.1 Ų104.133%0.32549%0.492SS..Hα-helixtrans-69.2-47176.5-59.90000110.8V32 S33 K34 K38 K39 F40V32-T36 VanDerWaalsContact O-CB 3.23Å; V32-T36 WeakPolarHBondContact O-CB 3.32Å; V32-T36 PolarHBondContact O-N 2.74Å; V32-T36 PolarHBondContact O-OG1 2.93Å; S33-T36 CarbonylContact O-C 3.59Å; S33-T36 WeakPolarHBondContact O-CA 3.32Å; S33-T36 WeakPolarHBondContact O-CB 3.23Å; S33-T36 PolarHBondContact O-N 2.98Å; K34-T36 VanDerWaalsContact C-N 3.29Å; T36-K38 VanDerWaalsContact C-N 3.33Å; T36-K38 PolarHBondContact O-N 2.84Å; T36-K39 CarbonylContact O-C 3.58Å; T36-K39 WeakPolarHBondContact O-CA 3.43Å; T36-K39 WeakPolarHBondContact O-CB 3.41Å; T36-K39 PolarHBondContact O-N 3.07Å; T36-K39 VanDerWaalsContact O-N 3.09Å; T36-F40 HydrophobicContact CG2-CD2 3.54Å; T36-F40 HydrophobicContact CG2-CE2 3.26Å; T36-F40 HydrophobicContact CG2-CZ 4.4Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.43Å
37D73.6Confident79.1Confident75 Ų75100.9 Ų100.940%0.40148%0.478SS..Hα-helixtrans-57.4-46.8175.1-60.1-30.7000110.6S33 K39 F40 W41S33-D37 PolarHBondContact O-N 2.89Å; S33-D37 VanDerWaalsContact O-OD2 3.08Å; S33-D37 PolarHBondContact OG-OD2 3.09Å; D37-K39 VanDerWaalsContact C-N 3.33Å; D37-K39 PolarHBondContact O-N 2.82Å; D37-F40 PolarHBondContact O-N 2.84Å; D37-W41 PolarHBondContact O-N 3.34Å
38K72.5Confident79.3Confident167 Ų167100.1 Ų100.173%0.72648%0.477SS*.Hα-helixtrans-62.3-38.6176.3-172.8174.6-178.8176.80112.4K34 T36 K42K34-K38 VanDerWaalsContact O-CB 3.31Å; K34-K38 WeakPolarHBondContact O-CB 3.4Å; K34-K38 PolarHBondContact O-N 3.02Å; T36-K38 VanDerWaalsContact C-N 3.33Å; T36-K38 PolarHBondContact O-N 2.84Å; K38-K42 PolarHBondContact O-N 3.4Å; K38-K42 VanDerWaalsContact O-N 3.07Å
39K74Confident79.6Confident137 Ų137103.7 Ų103.760%0.59650%0.496SS*.Hα-helixtrans-65.5-43.9174.4-78.9175.6-179178.30111A35 T36 D37 K42 M43A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 VanDerWaalsContact O-CG 3.29Å; A35-K39 WeakPolarHBondContact O-CG 3.31Å; A35-K39 PolarHBondContact O-N 2.72Å; T36-K39 CarbonylContact O-C 3.58Å; T36-K39 WeakPolarHBondContact O-CA 3.43Å; T36-K39 WeakPolarHBondContact O-CB 3.41Å; T36-K39 PolarHBondContact O-N 3.07Å; T36-K39 VanDerWaalsContact O-N 3.09Å; D37-K39 VanDerWaalsContact C-N 3.33Å; D37-K39 PolarHBondContact O-N 2.82Å; K39-K42 PolarHBondContact O-N 3.2Å; K39-M43 WeakPolarHBondContact O-CB 3.5Å; K39-M43 PolarHBondContact O-N 3.4Å
40F72.4Confident80Confident141 Ų141101 Ų10162%0.61849%0.488SS*.Hα-helixtrans-62.9-43.3176.3-81.1-62.4000112T36 D37 K42 M43 G44T36-F40 HydrophobicContact CG2-CD2 3.54Å; T36-F40 HydrophobicContact CG2-CE2 3.26Å; T36-F40 HydrophobicContact CG2-CZ 4.4Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.43Å; D37-F40 PolarHBondContact O-N 2.84Å; F40-K42 VanDerWaalsContact C-N 3.35Å; F40-K42 PolarHBondContact O-N 3.07Å; F40-M43 PolarHBondContact O-N 2.75Å; F40-G44 PolarHBondContact O-N 3.22Å
41W72.9Confident80.4Confident194 Ų19496 Ų9674%0.73547%0.468SS*.Hα-helixtrans-61.7-41.5175.7-81.142.5000112.6D37 M43 R45D37-W41 PolarHBondContact O-N 3.34Å; W41-M43 VanDerWaalsContact C-N 3.35Å; W41-R45 PolarHBondContact O-N 2.96Å
42K77.3Confident81Confident146 Ų14699.2 Ų99.264%0.63548%0.481SS*.Hα-helixtrans-67.9-37.1175.9-170.7175.4-179.2179.20111.5K38 K39 F40 R46K38-K42 PolarHBondContact O-N 3.4Å; K38-K42 VanDerWaalsContact O-N 3.07Å; K39-K42 PolarHBondContact O-N 3.2Å; F40-K42 VanDerWaalsContact C-N 3.35Å; F40-K42 PolarHBondContact O-N 3.07Å; K42-R46 WeakPolarHBondContact O-CG 3.45Å; K42-R46 PolarHBondContact O-N 3.44Å
43M77.1Confident81.7Confident102 Ų102101.1 Ų101.150%0.50249%0.492SS..Hα-helixtrans-69.8-43.6176.6-167.767.996.800111.5K39 F40 W41 R45 R46 I47K39-M43 WeakPolarHBondContact O-CB 3.5Å; K39-M43 PolarHBondContact O-N 3.4Å; F40-M43 PolarHBondContact O-N 2.75Å; W41-M43 VanDerWaalsContact C-N 3.35Å; M43-R45 PolarHBondContact O-N 3.19Å; M43-R46 WeakPolarHBondContact O-CB 3.43Å; M43-R46 PolarHBondContact O-N 3.43Å; M43-I47 HydrophobicContact CG-CD1 4.03Å; M43-I47 HydrophobicContact CG-CG1 4.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.4Å; M43-I47 PolarHBondContact O-N 3.43Å
44G81.7Confident82.2Confident25 Ų25101.4 Ų101.426%0.25849%0.489SS..Hα-helixtrans-53.8-52.1177.300000111.4F40 R46 I47 D48F40-G44 PolarHBondContact O-N 3.22Å; G44-R46 VanDerWaalsContact C-N 3.29Å; G44-R46 PolarHBondContact O-N 3.13Å; G44-I47 CarbonylContact O-C 3.56Å; G44-I47 WeakPolarHBondContact O-CA 3.31Å; G44-I47 WeakPolarHBondContact O-CB 3.49Å; G44-I47 PolarHBondContact O-N 3.29Å; G44-D48 VanDerWaalsContact O-CG 3.31Å; G44-D48 PolarHBondContact O-N 2.82Å
45R82.3Confident82.8Confident163 Ų16397.9 Ų97.962%0.61548%0.476SS*.Hα-helixtrans-55.5-40.4175.1-78.8-168.2-77.1-147.3-3.3114W41 M43 I47 D48 D49W41-R45 PolarHBondContact O-N 2.96Å; M43-R45 PolarHBondContact O-N 3.19Å; R45-I47 VanDerWaalsContact C-N 3.3Å; R45-I47 PolarHBondContact O-N 3.34Å; R45-D48 PolarHBondContact O-N 3.48Å; R45-D49 WeakPolarHBondContact O-CB 3.44Å; R45-D49 PolarHBondContact O-N 3.17Å
46R83.7Confident83.5Confident163 Ų163101.8 Ų101.862%0.61550%0.495SS*.Hα-helixtrans-69-31.3177.6-6717778-164.15.5112.5K42 M43 G44 A50K42-R46 WeakPolarHBondContact O-CG 3.45Å; K42-R46 PolarHBondContact O-N 3.44Å; M43-R46 WeakPolarHBondContact O-CB 3.43Å; M43-R46 PolarHBondContact O-N 3.43Å; G44-R46 VanDerWaalsContact C-N 3.29Å; G44-R46 PolarHBondContact O-N 3.13Å; R46-A50 VanDerWaalsContact O-CB 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.39Å; R46-A50 PolarHBondContact O-N 2.96Å; R46-A50 VanDerWaalsContact O-N 3.13Å
47I87.6Confident84.1Confident90 Ų90104.5 Ų104.546%0.46251%0.507SS..Hα-helixtrans-70.4-45.5173.7-67.6167000109.1M43 G44 R45 A50 L51M43-I47 HydrophobicContact CG-CD1 4.03Å; M43-I47 HydrophobicContact CG-CG1 4.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.4Å; M43-I47 PolarHBondContact O-N 3.43Å; G44-I47 CarbonylContact O-C 3.56Å; G44-I47 WeakPolarHBondContact O-CA 3.31Å; G44-I47 WeakPolarHBondContact O-CB 3.49Å; G44-I47 PolarHBondContact O-N 3.29Å; R45-I47 VanDerWaalsContact C-N 3.3Å; R45-I47 PolarHBondContact O-N 3.34Å; I47-A50 PolarHBondContact O-N 3.23Å; I47-L51 HydrophobicContact CG2-CD1 3.72Å; I47-L51 HydrophobicContact CG2-CG 4.2Å; I47-L51 WeakPolarHBondContact O-CB 3.26Å; I47-L51 VanDerWaalsContact O-CG 3.26Å; I47-L51 WeakPolarHBondContact O-CG 3.46Å; I47-L51 PolarHBondContact O-N 2.84Å
48D88.8Confident84.8Confident84 Ų84102.7 Ų102.745%0.44951%0.507SS..Hα-helixtrans-59-48.6176.4-61.3-31.5000110.9G44 R45 A50 L51 D52G44-D48 VanDerWaalsContact O-CG 3.31Å; G44-D48 PolarHBondContact O-N 2.82Å; R45-D48 PolarHBondContact O-N 3.48Å; D48-A50 VanDerWaalsContact C-N 3.28Å; D48-A50 PolarHBondContact O-N 2.86Å; D48-L51 PolarHBondContact O-N 2.75Å; D48-D52 PolarHBondContact O-N 2.97Å
49D91.4Very high85.7Confident99 Ų9997.4 Ų97.453%0.52949%0.488SS..Hα-helixtrans-57.2-40.3175.5-66.1-24.1000111.9R45 T53R45-D49 WeakPolarHBondContact O-CB 3.44Å; R45-D49 PolarHBondContact O-N 3.17Å; D49-T53 WeakPolarHBondContact O-CB 3.25Å; D49-T53 PolarHBondContact O-N 3.47Å; D49-T53 PolarHBondContact O-OG1 3.05Å
50A90.5Very high86.5Confident46 Ų4691.6 Ų91.638%0.3846%0.463SS..Hα-helixtrans-71.3-40.5178.600000112R46 I47 D48 T53 L54R46-A50 VanDerWaalsContact O-CB 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.39Å; R46-A50 PolarHBondContact O-N 2.96Å; R46-A50 VanDerWaalsContact O-N 3.13Å; I47-A50 PolarHBondContact O-N 3.23Å; D48-A50 VanDerWaalsContact C-N 3.28Å; D48-A50 PolarHBondContact O-N 2.86Å; A50-T53 PolarHBondContact O-N 3.47Å; A50-L54 WeakPolarHBondContact O-CB 3.48Å; A50-L54 VanDerWaalsContact O-CG 3.25Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 2.92Å
51L91.3Very high87.4Confident30 Ų3092 Ų9216%0.15746%0.461CS..Hα-helixtrans-63.4-45175.8-71.6167.4000110.7I47 D48 T53 L54 I55 I60 Y67I47-L51 HydrophobicContact CG2-CD1 3.72Å; I47-L51 HydrophobicContact CG2-CG 4.2Å; I47-L51 WeakPolarHBondContact O-CB 3.26Å; I47-L51 VanDerWaalsContact O-CG 3.26Å; I47-L51 WeakPolarHBondContact O-CG 3.46Å; I47-L51 PolarHBondContact O-N 2.84Å; D48-L51 PolarHBondContact O-N 2.75Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-T53 PolarHBondContact O-N 3.4Å; L51-L54 PolarHBondContact O-N 3.18Å; L51-I55 VanDerWaalsContact O-CG1 3.25Å; L51-I55 WeakPolarHBondContact O-CG1 3.48Å; L51-I55 PolarHBondContact O-N 3.25Å; L51-I60 HydrophobicContact CD2-CD1 3.68Å; L51-Y67 HydrophobicContact CB-CE1 4.14Å; L51-Y67 HydrophobicContact CD1-CD2 4.31Å; L51-Y67 HydrophobicContact CD1-CE1 4.07Å; L51-Y67 HydrophobicContact CD1-CE2 3.76Å; L51-Y67 HydrophobicContact CD2-CD1 3.91Å; L51-Y67 HydrophobicContact CD2-CD2 4.21Å; L51-Y67 HydrophobicContact CD2-CE1 4.13Å; L51-Y67 HydrophobicContact CD2-CE2 4.43Å; L51-Y67 HydrophobicContact CD2-CG 3.95Å; L51-Y67 HydrophobicContact CG-CE1 4.35Å
52D91.6Very high88.2Confident100 Ų10087.7 Ų87.754%0.53545%0.447SS..Hα-helixtrans-60.5-44.2176.3-79.3-14.6000111.4D48 L54 I55 V56D48-D52 PolarHBondContact O-N 2.97Å; D52-L54 PolarHBondContact O-N 2.88Å; D52-I55 PolarHBondContact O-N 2.83Å; D52-V56 VanDerWaalsContact O-CG2 3.31Å; D52-V56 WeakPolarHBondContact O-CG2 3.32Å; D52-V56 PolarHBondContact O-N 2.98Å
53T93.6Very high88.7Confident74 Ų7486.6 Ų86.645%0.45444%0.444SS..Hα-helixtrans-59-47.8175.4-54.90000111.1D49 A50 L51 I55 V56 D57D49-T53 WeakPolarHBondContact O-CB 3.25Å; D49-T53 PolarHBondContact O-N 3.47Å; D49-T53 PolarHBondContact O-OG1 3.05Å; A50-T53 PolarHBondContact O-N 3.47Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-T53 PolarHBondContact O-N 3.4Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 2.89Å; T53-V56 PolarHBondContact O-N 2.98Å; T53-D57 WeakPolarHBondContact O-CB 3.45Å; T53-D57 VanDerWaalsContact O-CG 3.23Å; T53-D57 PolarHBondContact O-N 3Å
54L91.7Very high89.3Confident67 Ų6787.9 Ų87.935%0.35145%0.453SS..Hα-helixtrans-66.5-28.6179.7-69.5171000113.4A50 L51 D52 G58 V59 I60A50-L54 WeakPolarHBondContact O-CB 3.48Å; A50-L54 VanDerWaalsContact O-CG 3.25Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 2.92Å; L51-L54 PolarHBondContact O-N 3.18Å; D52-L54 PolarHBondContact O-N 2.88Å; L54-G58 PolarHBondContact O-N 2.81Å; L54-V59 HydrophobicContact CD2-CB 4.14Å; L54-V59 HydrophobicContact CD2-CG1 4.27Å; L54-V59 HydrophobicContact CD2-CG2 4.37Å; L54-V59 PolarHBondContact O-N 2.75Å; L54-I60 HydrophobicContact CB-CD1 3.62Å; L54-I60 HydrophobicContact CB-CG1 3.67Å; L54-I60 HydrophobicContact CB-CG2 4.37Å; L54-I60 HydrophobicContact CD1-CD1 4.2Å; L54-I60 PolarHBondContact O-N 2.89Å; L54-I60 VanDerWaalsContact O-N 3.13Å
55I91.7Very high89.4Confident56 Ų5692.3 Ų92.329%0.28747%0.471SS..Hα-helixtrans-71.7-46.1173.3-69.5165.2000110.2L51 D52 T53 D57 G58 I60 K62 Y67L51-I55 VanDerWaalsContact O-CG1 3.25Å; L51-I55 WeakPolarHBondContact O-CG1 3.48Å; L51-I55 PolarHBondContact O-N 3.25Å; D52-I55 PolarHBondContact O-N 2.83Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 2.89Å; I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 2.87Å; I55-G58 PolarHBondContact O-N 2.65Å; I55-I60 HydrophobicContact CG1-CD1 4.07Å; I55-I60 HydrophobicContact CG1-CG1 3.65Å; I55-K62 HydrophobicContact CD1-CB 3.93Å; I55-Y67 HydrophobicContact CD1-CD1 4.28Å; I55-Y67 HydrophobicContact CD1-CE1 4Å
56V90.7Very high89.6Confident125 Ų12588.6 Ų88.676%0.75846%0.463SS*.Hα-helixtrans-62.2-40.7178.1170.20000111D52 T53 G58D52-V56 VanDerWaalsContact O-CG2 3.31Å; D52-V56 WeakPolarHBondContact O-CG2 3.32Å; D52-V56 PolarHBondContact O-N 2.98Å; T53-V56 PolarHBondContact O-N 2.98Å; V56-G58 PolarHBondContact O-N 3.27Å
57D90.1Very high89.9Confident110 Ų11085.3 Ų85.359%0.58845%0.451SS*.THydrogen-bonded Turntrans-71.8-5.1176.2-67.7-15.7000112.9T53 I55 V59T53-D57 WeakPolarHBondContact O-CB 3.45Å; T53-D57 VanDerWaalsContact O-CG 3.23Å; T53-D57 PolarHBondContact O-N 3Å; I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 2.87Å; D57-V59 HydrophobicContact CB-CG2 3.97Å; D57-V59 PolarHBondContact O-N 3.4Å
58G88.6Confident89.9Confident38 Ų3885.8 Ų85.839%0.39245%0.448SS..THydrogen-bonded Turntrans69.714.7179.800000114.2L54 I55 V56 N70L54-G58 PolarHBondContact O-N 2.81Å; I55-G58 PolarHBondContact O-N 2.65Å; V56-G58 PolarHBondContact O-N 3.27Å; G58-N70 PolarHBondContact O-ND2 2.96Å
59V90.4Very high89.9Confident56 Ų5688.1 Ų88.134%0.33946%0.46SS..SBendtrans-77.4-37.5178.7-177.20000111L54 D57 N70L54-V59 HydrophobicContact CD2-CB 4.14Å; L54-V59 HydrophobicContact CD2-CG1 4.27Å; L54-V59 HydrophobicContact CD2-CG2 4.37Å; L54-V59 PolarHBondContact O-N 2.75Å; D57-V59 HydrophobicContact CB-CG2 3.97Å; D57-V59 PolarHBondContact O-N 3.4Å; V59-N70 WeakPolarHBondContact O-CB 3.32Å; V59-N70 PolarHBondContact O-N 3.26Å
60I92.3Very high89.6Confident14 Ų1486.1 Ų86.17%0.07245%0.449CS..EExtended strand (participates in β ladder)trans-125.1163.2175.171.5-178.7000110.5L51 L54 I55 Y67 Y68 L69L51-I60 HydrophobicContact CD2-CD1 3.68Å; L54-I60 HydrophobicContact CB-CD1 3.62Å; L54-I60 HydrophobicContact CB-CG1 3.67Å; L54-I60 HydrophobicContact CB-CG2 4.37Å; L54-I60 HydrophobicContact CD1-CD1 4.2Å; L54-I60 PolarHBondContact O-N 2.89Å; L54-I60 VanDerWaalsContact O-N 3.13Å; I55-I60 HydrophobicContact CG1-CD1 4.07Å; I55-I60 HydrophobicContact CG1-CG1 3.65Å; I60-Y67 HydrophobicContact CD1-CD1 4.09Å; I60-Y68 CarbonylContact C-O 3.48Å; I60-Y68 WeakPolarHBondContact CA-O 3.39Å; I60-Y68 WeakPolarHBondContact CB-O 3.06Å; I60-L69 HydrophobicContact CG2-CD2 4Å
61R90.9Very high88.8Confident149 Ų14992.3 Ų92.356%0.56247%0.472SS*.EExtended strand (participates in β ladder)trans-127.2145169.163.4-178.8-178.5-166.4-0.8110.5Y67 Y68 N70R61-Y67 WeakPolarHBondContact O-CA 3.48Å; R61-Y68 PolarHBondContact N-O 3.2Å; R61-Y68 PolarHBondContact O-N 3.35Å; R61-N70 VanDerWaalsContact CD-OD1 3.32Å; R61-N70 WeakPolarHBondContact CD-OD1 3.17Å; R61-N70 WeakPolarHBondContact CG-OD1 3.35Å
62K90Very high87.3Confident104 Ų10497.8 Ų97.845%0.45250%0.501SS..EExtended strand (participates in β ladder)trans-96128.6172.6-172.1-179.1179.2-174.50109.8I55 D65 N66 Y67I55-K62 HydrophobicContact CD1-CB 3.93Å; K62-D65 WeakPolarHBondContact CE-OD1 3.48Å; K62-D65 IonicContact NZ-OD1 2.89Å; K62-D65 PolarHBondContact NZ-OD1 3.48Å; K62-N66 CarbonylContact C-O 3.5Å; K62-N66 WeakPolarHBondContact CA-O 3.31Å; K62-Y67 HydrophobicContact CB-CD1 4.06Å; K62-Y67 HydrophobicContact CB-CE1 4Å; K62-Y67 HydrophobicContact CD-CE1 3.84Å; K62-Y67 HydrophobicContact CG-CD1 4.16Å; K62-Y67 HydrophobicContact CG-CE1 3.8Å
63H86.3Confident85.5Confident124 Ų124101.2 Ų101.257%0.57451%0.514SS*.EExtended strand (participates in β ladder)trans-143.9124.1173.6179.4-92.3000110.7D65 N66 Y68H63-D65 VanDerWaalsContact C-N 3.31Å; H63-D65 PolarHBondContact O-N 3.04Å; H63-N66 PolarHBondContact N-O 3.24Å; H63-N66 WeakPolarHBondContact O-CB 3.4Å; H63-N66 PolarHBondContact O-N 2.88Å; H63-Y68 HydrophobicContact CB-CD2 4.22Å; H63-Y68 HydrophobicContact CB-CE2 3.88Å
64N89.9Confident83.5Confident129 Ų129106.5 Ų106.569%0.6953%0.534SS*.THydrogen-bonded Turntrans47.850.2-176.8-163.745.3000113N66N64-N66 PolarHBondContact O-N 3.13Å; N64-N66 PolarHBondContact O-ND2 2.94Å
65D83.5Confident81.5Confident118 Ų118108.8 Ų108.863%0.63155%0.55SS**THydrogen-bonded Turntrans58.310.7-176.1-64.1-46.7000116.9K62 H63K62-D65 WeakPolarHBondContact CE-OD1 3.48Å; K62-D65 IonicContact NZ-OD1 2.89Å; K62-D65 PolarHBondContact NZ-OD1 3.48Å; H63-D65 VanDerWaalsContact C-N 3.31Å; H63-D65 PolarHBondContact O-N 3.04Å
66N87.2Confident79.6Confident85 Ų85109.8 Ų109.846%0.45557%0.567SS.*EExtended strand (participates in β ladder)trans-103.7149.5170-60.7-69000110.3K62 H63 N64 Y68K62-N66 CarbonylContact C-O 3.5Å; K62-N66 WeakPolarHBondContact CA-O 3.31Å; H63-N66 PolarHBondContact N-O 3.24Å; H63-N66 WeakPolarHBondContact O-CB 3.4Å; H63-N66 PolarHBondContact O-N 2.88Å; N64-N66 PolarHBondContact O-N 3.13Å; N64-N66 PolarHBondContact O-ND2 2.94Å; N66-Y68 HydrophobicContact CB-CE2 3.68Å
67Y89.3Confident77.8Confident93 Ų93108.7 Ų108.737%0.36557%0.565SS.*EExtended strand (participates in β ladder)trans-108.9133.8178.7-57.1-86.4000109.8L51 I55 I60 R61 K62L51-Y67 HydrophobicContact CB-CE1 4.14Å; L51-Y67 HydrophobicContact CD1-CD2 4.31Å; L51-Y67 HydrophobicContact CD1-CE1 4.07Å; L51-Y67 HydrophobicContact CD1-CE2 3.76Å; L51-Y67 HydrophobicContact CD2-CD1 3.91Å; L51-Y67 HydrophobicContact CD2-CD2 4.21Å; L51-Y67 HydrophobicContact CD2-CE1 4.13Å; L51-Y67 HydrophobicContact CD2-CE2 4.43Å; L51-Y67 HydrophobicContact CD2-CG 3.95Å; L51-Y67 HydrophobicContact CG-CE1 4.35Å; I55-Y67 HydrophobicContact CD1-CD1 4.28Å; I55-Y67 HydrophobicContact CD1-CE1 4Å; I60-Y67 HydrophobicContact CD1-CD1 4.09Å; R61-Y67 WeakPolarHBondContact O-CA 3.48Å; K62-Y67 HydrophobicContact CB-CD1 4.06Å; K62-Y67 HydrophobicContact CB-CE1 4Å; K62-Y67 HydrophobicContact CD-CE1 3.84Å; K62-Y67 HydrophobicContact CG-CD1 4.16Å; K62-Y67 HydrophobicContact CG-CE1 3.8Å
68Y88.1Confident75.9Confident101 Ų101110.4 Ų110.440%0.39657%0.574SS.*EExtended strand (participates in β ladder)trans-125.2136.9-179-57.4-93.1000109.1I60 R61 H63 N66 N70I60-Y68 CarbonylContact C-O 3.48Å; I60-Y68 WeakPolarHBondContact CA-O 3.39Å; I60-Y68 WeakPolarHBondContact CB-O 3.06Å; R61-Y68 PolarHBondContact N-O 3.2Å; R61-Y68 PolarHBondContact O-N 3.35Å; H63-Y68 HydrophobicContact CB-CD2 4.22Å; H63-Y68 HydrophobicContact CB-CE2 3.88Å; N66-Y68 HydrophobicContact CB-CE2 3.68Å; Y68-N70 PolarHBondContact O-N 2.68Å
69L89.2Confident74.1Confident133 Ų133112.5 Ų112.570%0.69658%0.583SS**EExtended strand (participates in β ladder)trans-60.9130.7166.2-72.7163000108.2I60 M71I60-L69 HydrophobicContact CG2-CD2 4Å; L69-M71 PolarHBondContact O-N 2.7Å; L69-M71 VanDerWaalsContact O-N 3.1Å
70N84.9Confident72.3Confident56 Ų56118.3 Ų118.330%0.29961%0.606SS.*  trans-69.5108158.1-72.1-20.4000104.3G58 V59 R61 Y68 L72G58-N70 PolarHBondContact O-ND2 2.96Å; V59-N70 WeakPolarHBondContact O-CB 3.32Å; V59-N70 PolarHBondContact O-N 3.26Å; R61-N70 VanDerWaalsContact CD-OD1 3.32Å; R61-N70 WeakPolarHBondContact CD-OD1 3.17Å; R61-N70 WeakPolarHBondContact CG-OD1 3.35Å; Y68-N70 PolarHBondContact O-N 2.68Å; N70-L72 PolarHBondContact O-N 2.98Å
71M73.3Confident70.3Confident176 Ų176123.6 Ų123.687%0.86764%0.642SS**  trans-59.696.3160.7-66.4-178.5178.500104L69 E73L69-M71 PolarHBondContact O-N 2.7Å; L69-M71 VanDerWaalsContact O-N 3.1Å; M71-E73 VanDerWaalsContact C-N 3.29Å; M71-E73 PolarHBondContact O-N 2.77Å
72L60.4Low68.5Low145 Ų145123.4 Ų123.476%0.75965%0.653SS**  trans-44.8114.7148.8-89138.8000102.4N70 E74N70-L72 PolarHBondContact O-N 2.98Å; L72-E74 PolarHBondContact O-N 3.1Å
73E54.1Low67Low172 Ų172123.3 Ų123.380%0.80467%0.665SS**  trans-50.1103.6163-68.1-173.7143.100103.3M71 T75M71-E73 VanDerWaalsContact C-N 3.29Å; M71-E73 PolarHBondContact O-N 2.77Å; E73-T75 PolarHBondContact O-N 3.36Å
74E51.9Low65.4Low186 Ų186120.1 Ų120.187%0.86967%0.666SS**  trans-56.395.8159.9-91.1-173.4127.200101.1L72 A76L72-E74 PolarHBondContact O-N 3.1Å; E74-A76 PolarHBondContact O-N 2.83Å
75T49.5Very low64Low114 Ų114118.8 Ų118.870%0.69967%0.666SS**  trans-5984.1154.441.40000102.4E73 S77E73-T75 PolarHBondContact O-N 3.36Å; T75-S77 PolarHBondContact O-N 2.85Å
76A51.5Low62.9Low77 Ų77120.2 Ų120.264%0.63667%0.674SS**  trans-56.578.2153.100000103.8E74 D78E74-A76 PolarHBondContact O-N 2.83Å; A76-D78 PolarHBondContact O-N 2.9Å
77S51.8Low61.8Low102 Ų102120.7 Ų120.771%0.71368%0.684SS**  trans-69.163155.3-61.10000104.2T75 S79T75-S77 PolarHBondContact O-N 2.85Å; S77-S79 PolarHBondContact O-N 3.33Å
78D51.5Low60.5Low147 Ų147123.4 Ų123.479%0.78671%0.705SS**  trans-71.982.2164-88.9-13.6000105.3A76A76-D78 PolarHBondContact O-N 2.9Å
79S50.8Low59.4Low82 Ų82123.4 Ų123.457%0.57372%0.72SS**  trans-0.6123.8148.356.40000116S77S77-S79 PolarHBondContact O-N 3.33Å
80H51.1Low58Low178 Ų178124.8 Ų124.882%0.82473%0.728SS**  trans52.175.3131.5-66-78.1000117.4N82H80-N82 PolarHBondContact O-N 2.96Å; H80-N82 VanDerWaalsContact O-N 3.08Å
81C50.8Low56.8Low124 Ų124127.4 Ų127.484%0.83875%0.751SS**  trans-76.285.7144.5-59.80000107.8S83C81-S83 PolarHBondContact O-N 2.68Å
82N52.7Low55.8Low146 Ų146130.7 Ų130.778%0.78177%0.772SS**  trans-66.580.3164.9-174.769.3000108.1H80 G84H80-N82 PolarHBondContact O-N 2.96Å; H80-N82 VanDerWaalsContact O-N 3.08Å; N82-G84 PolarHBondContact O-N 3.08Å
83S60.2Low55.5Low101 Ų101130 Ų13071%0.70677%0.772SS**  trans-74.686.4171.4-60.80000107.9C81 S85C81-S83 PolarHBondContact O-N 2.68Å; S83-S85 PolarHBondContact O-N 3.09Å; S83-S85 VanDerWaalsContact O-N 3.09Å
84G51.5Low55.6Low58 Ų58127.7 Ų127.760%0.59877%0.771SS**  trans-60.2106.1162.200000108.2N82N82-G84 PolarHBondContact O-N 3.08Å
85S61Low55.8Low100 Ų100124.5 Ų124.570%0.69977%0.765SS**  trans-114.376163.5-67.70000106.6S83 S87S83-S85 PolarHBondContact O-N 3.09Å; S83-S85 VanDerWaalsContact O-N 3.09Å; S85-S87 VanDerWaalsContact C-N 3.3Å; S85-S87 PolarHBondContact O-N 3.03Å
86D60.1Low56.2Low149 Ų149125.1 Ų125.180%0.79777%0.769SS**  trans-63.198.8157.5-63.7-44.4000105.9
87S64.8Low56.5Low95 Ų95128.1 Ų128.166%0.66478%0.777SS**  trans-102.684.9170-63.70000107.2S85 S89S85-S87 VanDerWaalsContact C-N 3.3Å; S85-S87 PolarHBondContact O-N 3.03Å; S87-S89 PolarHBondContact O-N 3.03Å
88D62Low56.8Low149 Ų149129.9 Ų129.980%0.79778%0.782SS**  trans-55105162.8-64.1-42.7000107.9
89S64.6Low57.2Low101 Ų101128.6 Ų128.671%0.70678%0.781SS**  trans-112.775.7169.9-620000107.4S87 S91S87-S89 PolarHBondContact O-N 3.03Å; S89-S91 PolarHBondContact O-N 3.36Å
90D58.7Low57.6Low162 Ų162132.2 Ų132.287%0.86680%0.797SS**  trans-64114.8154.5-76.2-42.6000107.1
91S60.9Low58.2Low112 Ų112128.4 Ų128.478%0.78380%0.795SS**  trans-138.8114.9164.5-680000107.7S89S89-S91 PolarHBondContact O-N 3.36Å
92D51.1Low58.9Low244 Ų244128.8 Ų128.8100%1.30579%0.791SS**  trans-250173.4-113.5-74.1000116.3

Retrieved 92 of 92 residues in 33.2 ms (Link to these results)