A0A096NX46_PAPAN Loading...

WAP four-disulfide core domain 13

AlphaFold DB , UniProt , Accession A0A096NX46, Species PAPAN (Papio anubis, Olive baboon), Gene WFDC13, Length 93 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
1M54.9Low72.8Confident240 Ų240123.2 Ų123.2100%1.18264%0.64SS**  0124.20-67.4169.1169.200107.5P3M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.04Å
2K62.8Low73.5Confident175 Ų175121 Ų12176%0.76164%0.636SS**  trans-88.8105.7-172.4-62.5174.7-176.6-179.70108.7V4 L5K2-V4 PolarHBondContact O-N 3.41Å; K2-L5 PolarHBondContact O-N 3.29Å
3P62.9Low73.9Confident100 Ų100121.7 Ų121.765%0.64963%0.631SS**THydrogen-bonded Turntrans-67.9-4.8-178.230.7-36.4000113M1 L5 P6M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.04Å; P3-L5 VanDerWaalsContact C-N 3.34Å; P3-P6 VanDerWaalsContact O-CD 3.26Å; P3-P6 WeakPolarHBondContact O-CD 3.42Å; P3-P6 VanDerWaalsContact O-CG 3.28Å; P3-P6 WeakPolarHBondContact O-CG 3.33Å
4V66.7Low73.9Confident83 Ų83117.4 Ų117.450%0.50362%0.615SS.*Hα-helixtrans-67.4-33.9179.1-172.80000111.9K2 L7 Q8K2-V4 PolarHBondContact O-N 3.41Å; V4-L7 PolarHBondContact O-N 3.29Å; V4-Q8 HydrophobicContact CG1-CG 4.24Å; V4-Q8 VanDerWaalsContact CG1-NE2 3.31Å; V4-Q8 WeakPolarHBondContact O-CG 3.44Å; V4-Q8 PolarHBondContact O-N 3.03Å
5L72.8Confident73.8Confident104 Ų104117.4 Ų117.455%0.54562%0.615SS.*Hα-helixtrans-61.4-55.9-178.2-131.386.1000113K2 P3 L7 Q8 F9K2-L5 PolarHBondContact O-N 3.29Å; P3-L5 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 2.69Å; L5-Q8 PolarHBondContact O-N 3.36Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 HydrophobicContact CG-CD2 4.43Å; L5-F9 HydrophobicContact CG-CE2 3.89Å; L5-F9 WeakPolarHBondContact O-CD2 3.05Å; L5-F9 PolarHBondContact O-N 3.23Å; L5-F9 VanDerWaalsContact O-N 3.09Å
6P76.3Confident73.3Confident83 Ų83113.6 Ų113.654%0.53961%0.606SS.*Hα-helixtrans-63.4-31.7-178.324.8-35.4000112.4P3 F9 L10P3-P6 VanDerWaalsContact O-CD 3.26Å; P3-P6 WeakPolarHBondContact O-CD 3.42Å; P3-P6 VanDerWaalsContact O-CG 3.28Å; P3-P6 WeakPolarHBondContact O-CG 3.33Å; P6-F9 PolarHBondContact O-N 3.04Å; P6-L10 WeakPolarHBondContact O-CB 3.05Å; P6-L10 PolarHBondContact O-N 2.84Å
7L78.4Confident72.8Confident124 Ų124113.3 Ų113.365%0.64960%0.604SS**Hα-helixtrans-71-39.3179.8-151.7137.4000111.4V4 L5 L10 V11V4-L7 PolarHBondContact O-N 3.29Å; L5-L7 PolarHBondContact O-N 2.69Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 2.04Å; L7-V11 VanDerWaalsContact O-N 3.09Å
8Q80.5Confident72Confident118 Ų118116.2 Ų116.255%0.55161%0.613SS**Hα-helixtrans-64.1-42.4172.3-72.8-175.31700112.1V4 L5 L10 V11 V12V4-Q8 HydrophobicContact CG1-CG 4.24Å; V4-Q8 VanDerWaalsContact CG1-NE2 3.31Å; V4-Q8 WeakPolarHBondContact O-CG 3.44Å; V4-Q8 PolarHBondContact O-N 3.03Å; L5-Q8 PolarHBondContact O-N 3.36Å; Q8-L10 VanDerWaalsContact C-N 3.31Å; Q8-L10 PolarHBondContact O-N 2.89Å; Q8-V11 PolarHBondContact O-N 2.72Å; Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 3.43Å
9F81.1Confident71.1Confident140 Ų140117.9 Ų117.961%0.61462%0.622SS**Hα-helixtrans-61-41175.7-79.1-68.9000112.3L5 P6 V12 F13L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 HydrophobicContact CG-CD2 4.43Å; L5-F9 HydrophobicContact CG-CE2 3.89Å; L5-F9 WeakPolarHBondContact O-CD2 3.05Å; L5-F9 PolarHBondContact O-N 3.23Å; L5-F9 VanDerWaalsContact O-N 3.09Å; P6-F9 PolarHBondContact O-N 3.04Å; F9-V12 PolarHBondContact O-N 3.04Å; F9-F13 WeakPolarHBondContact O-CB 3Å; F9-F13 PolarHBondContact O-N 3.03Å
10L81.3Confident70.2Confident113 Ų113116.5 Ų116.559%0.59262%0.618SS**Hα-helixtrans-63.9-43.4178.3-165.4149.8000111.2P6 L7 Q8 F13 C14P6-L10 WeakPolarHBondContact O-CB 3.05Å; P6-L10 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.36Å; Q8-L10 VanDerWaalsContact C-N 3.31Å; Q8-L10 PolarHBondContact O-N 2.89Å; L10-F13 PolarHBondContact O-N 2.92Å; L10-C14 WeakPolarHBondContact O-CB 3.4Å; L10-C14 PolarHBondContact O-N 2.81Å; L10-C14 PolarHBondContact O-SG 2.03Å
11V82.8Confident69Low75 Ų75117 Ų11746%0.45563%0.627SS.*Hα-helixtrans-61.9-46.5176.6173.60000111.4L7 Q8 F13 C14 L15L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 2.04Å; L7-V11 VanDerWaalsContact O-N 3.09Å; Q8-V11 PolarHBondContact O-N 2.72Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 2.85Å; V11-C14 PolarHBondContact O-N 2.97Å; V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 2.71Å
12V82.1Confident69Low97 Ų97107.9 Ų107.959%0.58860%0.596SS**Hα-helixtrans-61.9-42.3178.2173.70000111.3Q8 F9 L15 A16Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 3.43Å; F9-V12 PolarHBondContact O-N 3.04Å; V12-L15 PolarHBondContact O-N 2.78Å; V12-A16 PolarHBondContact O-N 3.15Å
13F77.9Confident69.1Low130 Ų130101.9 Ų101.957%0.5758%0.576SS**Hα-helixtrans-64.7-43.4178.4-174.6-103.1000112.3F9 L10 V11 L15 A16 L17F9-F13 WeakPolarHBondContact O-CB 3Å; F9-F13 PolarHBondContact O-N 3.03Å; L10-F13 PolarHBondContact O-N 2.92Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 2.85Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.63Å; F13-A16 PolarHBondContact O-N 3.4Å; F13-L17 HydrophobicContact CD1-CD1 3.83Å; F13-L17 HydrophobicContact CD1-CG 4.4Å; F13-L17 HydrophobicContact CE1-CD1 3.35Å; F13-L17 HydrophobicContact CE1-CG 4.08Å; F13-L17 HydrophobicContact CZ-CD1 3.86Å; F13-L17 HydrophobicContact CZ-CD2 4.38Å; F13-L17 HydrophobicContact CZ-CG 4.22Å; F13-L17 WeakPolarHBondContact O-CG 2.97Å; F13-L17 PolarHBondContact O-N 3.07Å
14C74.6Confident69Low61 Ų61102.2 Ų102.241%0.41258%0.578SS.*Hα-helixtrans-62.2-40.3176.5-71.30000112.3L10 V11 L17 Q18L10-C14 WeakPolarHBondContact O-CB 3.4Å; L10-C14 PolarHBondContact O-N 2.81Å; L10-C14 PolarHBondContact O-SG 2.03Å; V11-C14 PolarHBondContact O-N 2.97Å; C14-L17 PolarHBondContact O-N 2.88Å; C14-Q18 WeakPolarHBondContact O-CG 3.3Å; C14-Q18 PolarHBondContact O-N 2.71Å
15L71.9Confident68.5Low118 Ų118106.7 Ų106.762%0.61859%0.59SS**Hα-helixtrans-66.6-40.1176.3-68.6171.8000112V11 V12 F13 L17 Q18 L19V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 2.71Å; V12-L15 PolarHBondContact O-N 2.78Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.63Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.01Å; L15-Q18 PolarHBondContact O-N 2.63Å; L15-L19 PolarHBondContact O-N 3.21Å
16A66.4Low67.8Low56 Ų56107.4 Ų107.446%0.46359%0.591SS.*Hα-helixtrans-64.2-37.8177.100000112.6V12 F13 Q18 L19V12-A16 PolarHBondContact O-N 3.15Å; F13-A16 PolarHBondContact O-N 3.4Å; A16-Q18 VanDerWaalsContact C-N 3.32Å; A16-Q18 PolarHBondContact O-N 2.83Å; A16-L19 PolarHBondContact O-N 3.45Å
17L64.4Low66.8Low109 Ų109111.4 Ų111.457%0.57160%0.595SS**Hα-helixtrans-68-29.5176.4-73.6178.3000113.3F13 C14 L15F13-L17 HydrophobicContact CD1-CD1 3.83Å; F13-L17 HydrophobicContact CD1-CG 4.4Å; F13-L17 HydrophobicContact CE1-CD1 3.35Å; F13-L17 HydrophobicContact CE1-CG 4.08Å; F13-L17 HydrophobicContact CZ-CD1 3.86Å; F13-L17 HydrophobicContact CZ-CD2 4.38Å; F13-L17 HydrophobicContact CZ-CG 4.22Å; F13-L17 WeakPolarHBondContact O-CG 2.97Å; F13-L17 PolarHBondContact O-N 3.07Å; C14-L17 PolarHBondContact O-N 2.88Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.01Å
18Q58.3Low65.9Low166 Ų166109.6 Ų109.678%0.77659%0.589SS**Hα-helixtrans-77.3-23176.9-68.4-71.8-8.300112.9C14 L15 A16C14-Q18 WeakPolarHBondContact O-CG 3.3Å; C14-Q18 PolarHBondContact O-N 2.71Å; L15-Q18 PolarHBondContact O-N 2.63Å; A16-Q18 VanDerWaalsContact C-N 3.32Å; A16-Q18 PolarHBondContact O-N 2.83Å
19L54.6Low64.7Low149 Ų149108.5 Ų108.578%0.7859%0.587SS**SBendtrans-83.4-10.1-175.1-156.367.7000113.7L15 A16 P21L15-L19 PolarHBondContact O-N 3.21Å; A16-L19 PolarHBondContact O-N 3.45Å; L19-P21 VanDerWaalsContact O-CD 3.23Å; L19-P21 WeakPolarHBondContact O-CD 3.34Å
20V52.4Low63.5Low88 Ų88108.1 Ų108.153%0.53359%0.585SS.*SBendtrans-90.1107.5171.6-174.50000107.7G22V20-G22 PolarHBondContact O-N 2.91Å; V20-G22 VanDerWaalsContact O-N 3.13Å
21P45.8Very low62.1Low127 Ų127110.8 Ų110.883%0.82559%0.588SS**SBendtrans-65.8117.2174.627.9-32.7000108.4L19L19-P21 VanDerWaalsContact O-CD 3.23Å; L19-P21 WeakPolarHBondContact O-CD 3.34Å
22G55.1Low60.8Low50 Ų50113.2 Ų113.252%0.51560%0.597SS.*SBendtrans124.9117.1178.400000112.2V20V20-G22 PolarHBondContact O-N 2.91Å; V20-G22 VanDerWaalsContact O-N 3.13Å
23S64.4Low59.4Low49 Ų49114.7 Ų114.734%0.34360%0.601SS.*  trans-68.7146177.268.80000110.6K25 E26 R27S23-K25 PolarHBondContact O-N 2.88Å; S23-E26 PolarHBondContact N-OE2 3.13Å; S23-E26 PolarHBondContact O-N 3.49Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.29Å; S23-E26 PolarHBondContact OG-N 2.98Å; S23-E26 PolarHBondContact OG-OE2 3.42Å; S23-R27 PolarHBondContact O-N 3.1Å
24P60.5Low57.9Low107 Ų107113.8 Ų113.870%0.69560%0.599SS**Hα-helixtrans-58.3-24.2175.119.9-29.9000112.5V28P24-V28 WeakPolarHBondContact O-CG2 3.42Å; P24-V28 PolarHBondContact O-N 2.03Å
25K57.1Low57Low176 Ų176116 Ų11677%0.76561%0.612SS**Hα-helixtrans-66.6-41.5174-71.2-175.6176.4178.30112.7S23 R27 V28 L29S23-K25 PolarHBondContact O-N 2.88Å; K25-R27 VanDerWaalsContact C-N 3.32Å; K25-R27 PolarHBondContact O-N 2.96Å; K25-V28 PolarHBondContact O-N 2.83Å; K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 PolarHBondContact O-N 2.81Å
26E57.5Low56.3Low119 Ų119113.7 Ų113.756%0.55661%0.605SS**Hα-helixtrans-65.9-37.4177.1-75.2167.5127.800111.7S23 V28 L29 K30S23-E26 PolarHBondContact N-OE2 3.13Å; S23-E26 PolarHBondContact O-N 3.49Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.29Å; S23-E26 PolarHBondContact OG-N 2.98Å; S23-E26 PolarHBondContact OG-OE2 3.42Å; E26-V28 PolarHBondContact O-N 3.34Å; E26-L29 PolarHBondContact O-N 3.1Å; E26-K30 WeakPolarHBondContact O-CB 3.4Å; E26-K30 PolarHBondContact O-N 3.13Å
27R56.4Low56Low168 Ų168115.9 Ų115.963%0.63461%0.614SS**Hα-helixtrans-62.6-44175.3-169.3-176.8-71.1-151.21.5111.3S23 K25 Y31S23-R27 PolarHBondContact O-N 3.1Å; K25-R27 VanDerWaalsContact C-N 3.32Å; K25-R27 PolarHBondContact O-N 2.96Å; R27-Y31 HydrophobicContact CG-CD2 4.35Å; R27-Y31 HydrophobicContact CG-CE2 3.79Å; R27-Y31 WeakPolarHBondContact O-CD2 3.44Å; R27-Y31 PolarHBondContact O-N 2.88Å
28V58.9Low55.7Low85 Ų85112.2 Ų112.252%0.51560%0.597SS.*Hα-helixtrans-67.9-41.8177.5173.50000111.6P24 K25 E26 K30 Y31 I32P24-V28 WeakPolarHBondContact O-CG2 3.42Å; P24-V28 PolarHBondContact O-N 2.03Å; K25-V28 PolarHBondContact O-N 2.83Å; E26-V28 PolarHBondContact O-N 3.34Å; V28-K30 VanDerWaalsContact C-N 3.31Å; V28-K30 PolarHBondContact O-N 3.06Å; V28-Y31 PolarHBondContact O-N 2.74Å; V28-Y31 VanDerWaalsContact O-N 3.16Å; V28-I32 HydrophobicContact CG1-CD1 3.78Å; V28-I32 HydrophobicContact CG1-CG1 4.39Å; V28-I32 WeakPolarHBondContact O-CG1 2.89Å; V28-I32 PolarHBondContact O-N 3.07Å; V28-I32 VanDerWaalsContact O-N 3.13Å
29L56Low55.7Low96 Ų96111.6 Ų111.650%0.50360%0.597SS.*Hα-helixtrans-61.4-40178.7-172.667.3000111.9K25 E26 Y31 I32 L33K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 PolarHBondContact O-N 2.81Å; E26-L29 PolarHBondContact O-N 3.1Å; L29-Y31 VanDerWaalsContact C-N 3.31Å; L29-Y31 PolarHBondContact O-N 3.07Å; L29-I32 PolarHBondContact O-N 2.7Å; L29-I32 VanDerWaalsContact O-N 3.1Å; L29-L33 HydrophobicContact CD1-CD1 3.95Å; L29-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 HydrophobicContact CD2-CD1 4.26Å; L29-L33 HydrophobicContact CG-CD1 3.73Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 PolarHBondContact O-N 3.47Å
30K54.5Low55.7Low131 Ų131105.3 Ų105.357%0.5757%0.566SS**Hα-helixtrans-56-44.7174-174.3174178.7176.30111.7E26 V28 I32 L33 E34E26-K30 WeakPolarHBondContact O-CB 3.4Å; E26-K30 PolarHBondContact O-N 3.13Å; V28-K30 VanDerWaalsContact C-N 3.31Å; V28-K30 PolarHBondContact O-N 3.06Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 3.16Å; K30-L33 PolarHBondContact O-N 3.39Å; K30-E34 WeakPolarHBondContact CE-OE2 3.3Å; K30-E34 WeakPolarHBondContact CG-OE2 3.47Å; K30-E34 WeakPolarHBondContact O-CB 2.85Å; K30-E34 PolarHBondContact O-N 3.41Å
31Y51.8Low55.8Low169 Ų169103.1 Ų103.166%0.66356%0.557SS**Hα-helixtrans-75-13.8177.3-68.3-66.3000115.4R27 V28 L29R27-Y31 HydrophobicContact CG-CD2 4.35Å; R27-Y31 HydrophobicContact CG-CE2 3.79Å; R27-Y31 WeakPolarHBondContact O-CD2 3.44Å; R27-Y31 PolarHBondContact O-N 2.88Å; V28-Y31 PolarHBondContact O-N 2.74Å; V28-Y31 VanDerWaalsContact O-N 3.16Å; L29-Y31 VanDerWaalsContact C-N 3.31Å; L29-Y31 PolarHBondContact O-N 3.07Å
32I55.6Low56Low127 Ų127102.2 Ų102.265%0.65155%0.551SS**Hα-helixtrans-88-36.9174.2-65.7168.1000110.3V28 L29 K30V28-I32 HydrophobicContact CG1-CD1 3.78Å; V28-I32 HydrophobicContact CG1-CG1 4.39Å; V28-I32 WeakPolarHBondContact O-CG1 2.89Å; V28-I32 PolarHBondContact O-N 3.07Å; V28-I32 VanDerWaalsContact O-N 3.13Å; L29-I32 PolarHBondContact O-N 2.7Å; L29-I32 VanDerWaalsContact O-N 3.1Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 3.16Å
33L53.3Low56.1Low128 Ų128107.3 Ų107.367%0.6756%0.562SS**Hα-helixtrans-86.1-30.6-178.8-71167.8000112.9L29 K30 P35L29-L33 HydrophobicContact CD1-CD1 3.95Å; L29-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 HydrophobicContact CD2-CD1 4.26Å; L29-L33 HydrophobicContact CG-CD1 3.73Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 PolarHBondContact O-N 3.47Å; K30-L33 PolarHBondContact O-N 3.39Å; L33-P35 VanDerWaalsContact O-CD 3.3Å; L33-P35 WeakPolarHBondContact O-CD 3.35Å
34E47.5Very low55.8Low111 Ų111108.9 Ų108.952%0.51957%0.566SS.*SBendtrans-84.1113.2169.1-81174.5108.700109.4K30K30-E34 WeakPolarHBondContact CE-OE2 3.3Å; K30-E34 WeakPolarHBondContact CG-OE2 3.47Å; K30-E34 WeakPolarHBondContact O-CB 2.85Å; K30-E34 PolarHBondContact O-N 3.41Å
35P54.9Low56.1Low106 Ų106106 Ų10669%0.68855%0.548SS*.PPolyproline II helixtrans-54.4145.3171.721.3-29.9000109.7L33L33-P35 VanDerWaalsContact O-CD 3.3Å; L33-P35 WeakPolarHBondContact O-CD 3.35Å
36P57.7Low56.5Low71 Ų71103.7 Ų103.746%0.46155%0.549SS..PPolyproline II helixtrans-52132.918021.8-32.4000109.5C38P36-C38 PolarHBondContact O-N 3Å
37P58.9Low57.1Low102 Ų102102.5 Ų102.566%0.66254%0.543SS*.PPolyproline II helixtrans-57.4130.7-177.423.5-32.8000108.2I39P37-I39 PolarHBondContact O-N 3.4Å; P37-I39 VanDerWaalsContact O-N 3.07Å
38C59.4Low58.3Low32 Ų32100.2 Ų100.222%0.21654%0.543CS..PPolyproline II helixtrans-55.2118.7171.3-86.50000109.1P36 S40 C62 S64P36-C38 PolarHBondContact O-N 3Å; C38-S40 VanDerWaalsContact C-N 3.3Å; C38-S40 PolarHBondContact O-N 2.92Å; C38-C62 HydrophobicContact CB-CB 3.96Å; C38-C62 WeakPolarHBondContact CB-SG 3.47Å; C38-C62 WeakPolarHBondContact SG-CB 3.39Å; C38-C62 CovalentContact SG-SG 2.01Å; C38-C62 PolarHBondContact SG-SG 3.36Å; C38-S64 PolarHBondContact O-OG 3.29Å
39I58.1Low59.5Low152 Ų15296.5 Ų96.578%0.77952%0.521SS*.  trans-83.484.5175.2-55.2-166.6000106.7P37P37-I39 PolarHBondContact O-N 3.4Å; P37-I39 VanDerWaalsContact O-N 3.07Å
40S53Low60.9Low18 Ų1897.7 Ų97.713%0.12653%0.532CS..  trans-78.5126.916160.50000107.5C38 S64C38-S40 VanDerWaalsContact C-N 3.3Å; C38-S40 PolarHBondContact O-N 2.92Å; S40-S64 VanDerWaalsContact OG-CB 3.31Å; S40-S64 WeakPolarHBondContact OG-CB 3.46Å; S40-S64 PolarHBondContact OG-OG 3.27Å
41A54.6Low62.2Low42 Ų4297.2 Ų97.235%0.34753%0.534SS..  trans-55.1144.5165.900000108.8E43 N44A41-E43 HydrophobicContact CB-CG 4.47Å; A41-E43 PolarHBondContact O-N 3.5Å; A41-N44 WeakPolarHBondContact O-CB 3.38Å; A41-N44 PolarHBondContact O-N 3.32Å
42P51.8Low63.5Low108 Ų10892.8 Ų92.870%0.70152%0.519SS*.G310 helixtrans-56-26.2179.920.3-31000112.8N44P42-N44 PolarHBondContact O-N 3.2Å
43E56.2Low64.8Low156 Ų15693.8 Ų93.873%0.72952%0.521SS*.G310 helixtrans-65.6-20.9173.5-31.5-67.7154.200113.8A41A41-E43 HydrophobicContact CB-CG 4.47Å; A41-E43 PolarHBondContact O-N 3.5Å
44N57.8Low66.3Low83 Ų8391.7 Ų91.744%0.44451%0.51SS..G310 helixtrans-95.13.7-170.4-73.2-21.1000114.3A41 P42 T46 Q47A41-N44 WeakPolarHBondContact O-CB 3.38Å; A41-N44 PolarHBondContact O-N 3.32Å; P42-N44 PolarHBondContact O-N 3.2Å; N44-T46 PolarHBondContact O-N 3.34Å; N44-Q47 PolarHBondContact O-N 3.25Å
45C66.7Low67.9Low46 Ų4687 Ų8731%0.31149%0.49SS..THydrogen-bonded Turntrans-69.57.9177.5-61.20000114C66C45-C66 HydrophobicContact CB-CB 3.76Å; C45-C66 WeakPolarHBondContact CB-SG 2.96Å; C45-C66 WeakPolarHBondContact SG-CB 3.03Å; C45-C66 CovalentContact SG-SG 2.03Å; C45-C66 PolarHBondContact SG-SG 3.49Å
46T66.3Low69.1Low128 Ų12888.9 Ų88.979%0.78549%0.489SS*.THydrogen-bonded Turntrans-83.6-25.5175.7310000113.3N44N44-T46 PolarHBondContact O-N 3.34Å
47Q70.3Confident70.1Confident93 Ų9395.7 Ų95.744%0.43551%0.512SS..  trans-104.881.3-176.7-164.6171-3.600111.4N44 V69 C70N44-Q47 PolarHBondContact O-N 3.25Å; Q47-V69 VanDerWaalsContact O-CA 3.29Å; Q47-V69 WeakPolarHBondContact O-CA 3.35Å; Q47-V69 WeakPolarHBondContact O-CB 3.31Å; Q47-C70 HydrophobicContact CG-CB 4.28Å; Q47-C70 PolarHBondContact O-N 3.05Å; Q47-C70 VanDerWaalsContact O-N 3.15Å
48L82.1Confident70.9Confident120 Ų12093.5 Ų93.563%0.62851%0.508SS*.BIsolated β-bridgetrans-71.8147.3172.4-64.4165.9000110.5I68 V69L48-I68 WeakPolarHBondContact CA-O 2.8Å; L48-I68 WeakPolarHBondContact CD2-O 2.99Å; L48-V69 HydrophobicContact CD2-CG1 3.99Å
49C82.5Confident71.8Confident8 Ų895.9 Ų95.95%0.05451%0.514CS..  trans-140.9155.2176.760.50000110.8D54 C61 I68C49-D54 HydrophobicContact CB-CB 3.91Å; C49-C61 HydrophobicContact CB-CB 3.88Å; C49-C61 WeakPolarHBondContact CB-SG 3.23Å; C49-C61 WeakPolarHBondContact SG-CA 3.47Å; C49-C61 WeakPolarHBondContact SG-CB 3.36Å; C49-C61 CovalentContact SG-SG 2.03Å; C49-C61 PolarHBondContact SG-SG 3.05Å; C49-I68 PolarHBondContact N-O 3.01Å; C49-I68 VanDerWaalsContact N-O 3.07Å; C49-I68 VanDerWaalsContact O-CG2 3.28Å; C49-I68 WeakPolarHBondContact O-CG2 2.98Å
50T85.2Confident72.8Confident120 Ų12092.7 Ų92.774%0.73650%0.496SS*.SBendtrans-115.4-36.4174.457.10000111.5D54T50-D54 PolarHBondContact N-OD2 2.88Å; T50-D54 PolarHBondContact OG1-OD2 3.34Å
51M81.8Confident74.2Confident122 Ų12293.2 Ų93.260%0.60150%0.5SS*.SBendtrans-127.2166.7175.4-52.6-157.2174.900111E53 D54M51-E53 WeakPolarHBondContact CB-OE2 3.46Å; M51-E53 PolarHBondContact O-N 2.98Å; M51-D54 PolarHBondContact N-OD2 3.06Å; M51-D54 WeakPolarHBondContact O-CB 3.44Å; M51-D54 PolarHBondContact O-N 2.89Å
52Q79.1Confident75.3Confident76 Ų7692.3 Ų92.336%0.35549%0.49SS..G310 helixtrans-67.6-28.5-175.3-177.749.971.200112.2D54 C55 F59 Q60Q52-D54 PolarHBondContact O-N 2.9Å; Q52-C55 PolarHBondContact O-N 3.13Å; Q52-F59 PolarHBondContact NE2-O 3.47Å; Q52-Q60 VanDerWaalsContact OE1-CB 3.29Å
53E84.3Confident76.5Confident148 Ų14891.4 Ų91.469%0.69249%0.487SS*.G310 helixtrans-74.5-17-178.8-52.672.4-15400112.3M51 C55M51-E53 WeakPolarHBondContact CB-OE2 3.46Å; M51-E53 PolarHBondContact O-N 2.98Å; E53-C55 PolarHBondContact O-N 3.07Å
54D83.6Confident77.3Confident83 Ų8385.1 Ų85.144%0.44446%0.46SS..G310 helixtrans-68.2-21.8174.1-59.8-25.3000111.4C49 T50 M51 Q52C49-D54 HydrophobicContact CB-CB 3.91Å; T50-D54 PolarHBondContact N-OD2 2.88Å; T50-D54 PolarHBondContact OG1-OD2 3.34Å; M51-D54 PolarHBondContact N-OD2 3.06Å; M51-D54 WeakPolarHBondContact O-CB 3.44Å; M51-D54 PolarHBondContact O-N 2.89Å; Q52-D54 PolarHBondContact O-N 2.9Å
55C80.9Confident77.9Confident14 Ų1491.3 Ų91.310%0.09548%0.483CS..SBendtrans-92.5145.4-179-59.30000111.7Q52 E53 F59 C70Q52-C55 PolarHBondContact O-N 3.13Å; E53-C55 PolarHBondContact O-N 3.07Å; C55-F59 HydrophobicContact CB-CB 3.87Å; C55-C70 WeakPolarHBondContact CA-SG 3.27Å; C55-C70 HydrophobicContact CB-CB 3.86Å; C55-C70 WeakPolarHBondContact CB-SG 3.26Å; C55-C70 VanDerWaalsContact SG-CA 3.54Å; C55-C70 WeakPolarHBondContact SG-CB 3.34Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 3.46Å
56Q80.9Confident78.3Confident145 Ų14591.6 Ų91.668%0.67849%0.485SS*.PPolyproline II helixtrans-61.1154.8172.4-73.6-166.5-11.300111.5G58 F59Q56-G58 PolarHBondContact O-N 3.19Å; Q56-F59 HydrophobicContact CB-CD2 4.18Å; Q56-F59 WeakPolarHBondContact O-CB 3.32Å; Q56-F59 PolarHBondContact O-N 3.47Å
57K79.4Confident78.8Confident214 Ų21486.9 Ų86.993%0.9346%0.462SS*.THydrogen-bonded Turntrans-51.5127.5177.7-70.4-176179.4-179.10110.7
58G74.6Confident79.3Confident56 Ų5686.7 Ų86.758%0.57746%0.463SS*.THydrogen-bonded Turntrans94.9-0.2-178.100000115.2Q56 D73Q56-G58 PolarHBondContact O-N 3.19Å; G58-D73 PolarHBondContact O-N 3.05Å
59F78.7Confident79.4Confident81 Ų8181 Ų8136%0.35543%0.433SS..EExtended strand (participates in β ladder)trans-112151.4172.7-67.3-97.4000110.4Q52 C55 Q56 C70 S71Q52-F59 PolarHBondContact NE2-O 3.47Å; C55-F59 HydrophobicContact CB-CB 3.87Å; Q56-F59 HydrophobicContact CB-CD2 4.18Å; Q56-F59 WeakPolarHBondContact O-CB 3.32Å; Q56-F59 PolarHBondContact O-N 3.47Å; F59-C70 HydrophobicContact CB-CB 4.33Å; F59-S71 CarbonylContact C-O 3.44Å; F59-S71 VanDerWaalsContact CA-O 3.25Å; F59-S71 WeakPolarHBondContact CA-O 3.34Å
60Q79.8Confident79.3Confident86 Ų8681 Ų8140%0.40243%0.433SS..EExtended strand (participates in β ladder)trans-117.1141.8173.9-71-171.9500112.7Q52 C70 S71 D73Q52-Q60 VanDerWaalsContact OE1-CB 3.29Å; Q60-C70 CarbonylContact O-C 3.58Å; Q60-C70 WeakPolarHBondContact O-CA 3.34Å; Q60-S71 PolarHBondContact N-O 3.35Å; Q60-S71 PolarHBondContact O-N 3.24Å; Q60-D73 HydrophobicContact CG-CB 4Å; Q60-D73 PolarHBondContact NE2-OD1 2.99Å; Q60-D73 PolarHBondContact NE2-OD2 3.22Å
61C81.5Confident78.9Confident29 Ų2976.2 Ų76.220%0.19641%0.405CS..EExtended strand (participates in β ladder)trans-80.6118.5175.5-172.20000109.6C49 I68C49-C61 HydrophobicContact CB-CB 3.88Å; C49-C61 WeakPolarHBondContact CB-SG 3.23Å; C49-C61 WeakPolarHBondContact SG-CA 3.47Å; C49-C61 WeakPolarHBondContact SG-CB 3.36Å; C49-C61 CovalentContact SG-SG 2.03Å; C49-C61 PolarHBondContact SG-SG 3.05Å; C61-I68 WeakPolarHBondContact SG-CG2 3.34Å
62C78.9Confident78.6Confident22 Ų2272.9 Ų72.915%0.14939%0.393CS..EExtended strand (participates in β ladder)trans-150.8160-175.459.30000114.9C38 I68 V69 S71C38-C62 HydrophobicContact CB-CB 3.96Å; C38-C62 WeakPolarHBondContact CB-SG 3.47Å; C38-C62 WeakPolarHBondContact SG-CB 3.39Å; C38-C62 CovalentContact SG-SG 2.01Å; C38-C62 PolarHBondContact SG-SG 3.36Å; C62-I68 CarbonylContact O-C 3.6Å; C62-I68 WeakPolarHBondContact O-CA 3.08Å; C62-V69 PolarHBondContact N-O 3.48Å; C62-V69 PolarHBondContact O-N 3.38Å; C62-S71 WeakPolarHBondContact SG-CB 3.28Å
63S75.7Confident77.9Confident90 Ų9073.2 Ų73.263%0.62940%0.398SS*.EExtended strand (participates in β ladder)trans-78.9124.1-179.7-170.90000111.1
64S73.8Confident76.6Confident23 Ų2370.4 Ų70.416%0.16139%0.391CS..EExtended strand (participates in β ladder)trans-129.1-178.2174.3-161.60000111.3C38 S40 C66 G67C38-S64 PolarHBondContact O-OG 3.29Å; S40-S64 VanDerWaalsContact OG-CB 3.31Å; S40-S64 WeakPolarHBondContact OG-CB 3.46Å; S40-S64 PolarHBondContact OG-OG 3.27Å; S64-C66 PolarHBondContact O-N 3.29Å; S64-C66 VanDerWaalsContact O-N 3.13Å; S64-G67 PolarHBondContact N-O 3.3Å; S64-G67 PolarHBondContact O-N 3.01Å; S64-G67 VanDerWaalsContact O-N 3.1Å
65F69.6Low75.1Confident213 Ų21373.2 Ų73.293%0.93441%0.405SS*.THydrogen-bonded Turntrans-56-31.6-175.2-178.9-102000113.5
66C75.1Confident73.7Confident53 Ų5380.3 Ų80.336%0.35844%0.437SS..THydrogen-bonded Turntrans-102.79.5-178.858.90000114.7C45 S64C45-C66 HydrophobicContact CB-CB 3.76Å; C45-C66 WeakPolarHBondContact CB-SG 2.96Å; C45-C66 WeakPolarHBondContact SG-CB 3.03Å; C45-C66 CovalentContact SG-SG 2.03Å; C45-C66 PolarHBondContact SG-SG 3.49Å; S64-C66 PolarHBondContact O-N 3.29Å; S64-C66 VanDerWaalsContact O-N 3.13Å
67G77.6Confident71.9Confident29 Ų2982.7 Ų82.730%0.29945%0.445SS..EExtended strand (participates in β ladder)trans122.2-159.6-179.600000113.4S64S64-G67 PolarHBondContact N-O 3.3Å; S64-G67 PolarHBondContact O-N 3.01Å; S64-G67 VanDerWaalsContact O-N 3.1Å
68I80.5Confident70.4Confident88 Ų8881.7 Ų81.745%0.45144%0.435SS..EExtended strand (participates in β ladder)trans-91113.6-179.1-49.1178.4000108.9L48 C49 C61 C62L48-I68 WeakPolarHBondContact CA-O 2.8Å; L48-I68 WeakPolarHBondContact CD2-O 2.99Å; C49-I68 PolarHBondContact N-O 3.01Å; C49-I68 VanDerWaalsContact N-O 3.07Å; C49-I68 VanDerWaalsContact O-CG2 3.28Å; C49-I68 WeakPolarHBondContact O-CG2 2.98Å; C61-I68 WeakPolarHBondContact SG-CG2 3.34Å; C62-I68 CarbonylContact O-C 3.6Å; C62-I68 WeakPolarHBondContact O-CA 3.08Å
69V84Confident68.9Low0 Ų088.6 Ų88.60%045%0.45CS..EExtended strand (participates in β ladder)trans-137157.2-171.2-65.10000112.2Q47 L48 C62 S71Q47-V69 VanDerWaalsContact O-CA 3.29Å; Q47-V69 WeakPolarHBondContact O-CA 3.35Å; Q47-V69 WeakPolarHBondContact O-CB 3.31Å; L48-V69 HydrophobicContact CD2-CG1 3.99Å; C62-V69 PolarHBondContact N-O 3.48Å; C62-V69 PolarHBondContact O-N 3.38Å; V69-S71 PolarHBondContact O-N 2.95Å
70C80.6Confident67.2Low9 Ų996.1 Ų96.16%0.06148%0.475CS..EExtended strand (participates in β ladder)trans-73.5120.9173.9-63.20000110.9Q47 C55 F59 Q60Q47-C70 HydrophobicContact CG-CB 4.28Å; Q47-C70 PolarHBondContact O-N 3.05Å; Q47-C70 VanDerWaalsContact O-N 3.15Å; C55-C70 WeakPolarHBondContact CA-SG 3.27Å; C55-C70 HydrophobicContact CB-CB 3.86Å; C55-C70 WeakPolarHBondContact CB-SG 3.26Å; C55-C70 VanDerWaalsContact SG-CA 3.54Å; C55-C70 WeakPolarHBondContact SG-CB 3.34Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 3.46Å; F59-C70 HydrophobicContact CB-CB 4.33Å; Q60-C70 CarbonylContact O-C 3.58Å; Q60-C70 WeakPolarHBondContact O-CA 3.34Å
71S77.4Confident65.6Low19 Ų19101.1 Ų101.113%0.13349%0.492CS..EExtended strand (participates in β ladder)trans-120.1150175.5-176.80000110.6F59 Q60 C62 V69 D73F59-S71 CarbonylContact C-O 3.44Å; F59-S71 VanDerWaalsContact CA-O 3.25Å; F59-S71 WeakPolarHBondContact CA-O 3.34Å; Q60-S71 PolarHBondContact N-O 3.35Å; Q60-S71 PolarHBondContact O-N 3.24Å; C62-S71 WeakPolarHBondContact SG-CB 3.28Å; V69-S71 PolarHBondContact O-N 2.95Å; S71-D73 PolarHBondContact O-N 3.36Å
72S74.9Confident63.4Low52 Ų52108.4 Ų108.436%0.36452%0.52SS..EExtended strand (participates in β ladder)trans-66.4134.1179.362.70000111.3T74S72-T74 PolarHBondContact O-N 3.44Å; S72-T74 PolarHBondContact OG-OG1 3.41Å
73D63.1Low61.5Low83 Ų83112.4 Ų112.444%0.44455%0.546SS..SBendtrans-72.15.6178.9-165.312.6000113G58 Q60 S71 L75G58-D73 PolarHBondContact O-N 3.05Å; Q60-D73 HydrophobicContact CG-CB 4Å; Q60-D73 PolarHBondContact NE2-OD1 2.99Å; Q60-D73 PolarHBondContact NE2-OD2 3.22Å; S71-D73 PolarHBondContact O-N 3.36Å; D73-L75 PolarHBondContact O-N 3.02Å
74T57.1Low60Low89 Ų89113.3 Ų113.355%0.54655%0.548SS..  trans-66.792.7161.7600000106S72 Q76S72-T74 PolarHBondContact O-N 3.44Å; S72-T74 PolarHBondContact OG-OG1 3.41Å; T74-Q76 PolarHBondContact O-N 2.94Å
75L53.4Low58.4Low143 Ų143115.7 Ų115.775%0.74958%0.576SS**  trans-46.489.3144.6-78.9170000104.7D73 K77D73-L75 PolarHBondContact O-N 3.02Å; L75-K77 PolarHBondContact O-N 3.09Å
76Q50.6Low56.9Low162 Ų162111 Ų11176%0.75757%0.57SS**  trans-58.6103.7171.3-79.7-1637.200101.8T74 R78T74-Q76 PolarHBondContact O-N 2.94Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 WeakPolarHBondContact O-CA 3.34Å; Q76-R78 PolarHBondContact O-N 3.31Å
77K43.6Very low55.4Low196 Ų196116.9 Ų116.985%0.85259%0.592SS**  trans-42.3106.3171.5-75.4-178.8177.7178.60103.5L75 K79L75-K77 PolarHBondContact O-N 3.09Å; K77-K79 PolarHBondContact O-N 3.43Å
78R48.3Very low53.7Low193 Ų193121 Ų12173%0.72861%0.611SS**  trans-52.797.1-173.2-84.1-179.7175.9166-3.5105.6Q76 R80Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 WeakPolarHBondContact O-CA 3.34Å; Q76-R78 PolarHBondContact O-N 3.31Å; R78-R80 PolarHBondContact O-N 3.01Å
79K43.4Very low52.2Low201 Ų201123.9 Ų123.987%0.87463%0.626SS**  trans-61.5103.4149.8-77.6-170.4179.2-179.90100.4K77 Y81K77-K79 PolarHBondContact O-N 3.43Å; K79-Y81 VanDerWaalsContact C-N 3.29Å; K79-Y81 PolarHBondContact O-N 3.37Å
80R42.8Very low50Low238 Ų238130.7 Ų130.790%0.89866%0.659SS**  trans-44.5101.4-178.2-73.6-171.6-159.8175.35.2106.9R78 K82R78-R80 PolarHBondContact O-N 3.01Å; R80-K82 VanDerWaalsContact C-N 3.3Å; R80-K82 PolarHBondContact O-N 3.43Å
81Y45.5Very low48Very low191 Ų191136 Ų13675%0.74969%0.694SS**  trans-72.1103168.6-174.3-96.5000103.7K79 P83K79-Y81 VanDerWaalsContact C-N 3.29Å; K79-Y81 PolarHBondContact O-N 3.37Å; Y81-P83 VanDerWaalsContact O-CD 3.32Å; Y81-P83 WeakPolarHBondContact O-CD 3.26Å
82K35.8Very low46.5Very low182 Ų182142 Ų14279%0.79173%0.73SS**  trans-63.5116.1171.8-164-176.9-173.9-1710104.4R80 T84R80-K82 VanDerWaalsContact C-N 3.3Å; R80-K82 PolarHBondContact O-N 3.43Å; K82-T84 PolarHBondContact O-N 3.27Å
83P39.8Very low44.8Very low106 Ų106150.6 Ų150.669%0.68877%0.772SS**  trans-66.5103.4176.39-0.2000106.8Y81 G85Y81-P83 VanDerWaalsContact O-CD 3.32Å; Y81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-G85 PolarHBondContact O-N 3.09Å
84T43.3Very low43.9Very low110 Ų110154 Ų15468%0.67579%0.788SS**  trans-66115.5156.6130000105.4K82 S86K82-T84 PolarHBondContact O-N 3.27Å; T84-S86 PolarHBondContact O-N 3.24Å
85G39.4Very low43.2Very low73 Ų73157.4 Ų157.475%0.75380%0.801SS**  trans-48.4123.2-172.200000111.2P83 E87P83-G85 PolarHBondContact O-N 3.09Å; G85-E87 PolarHBondContact O-N 3.46Å
86S39.6Very low42.7Very low115 Ų115158.2 Ų158.280%0.80480%0.804SS**  trans-65.6105.9164.1-63.70000107T84 V88T84-S86 PolarHBondContact O-N 3.24Å; S86-V88 PolarHBondContact O-N 3.04Å
87E43.1Very low42.2Very low176 Ų176158 Ų15882%0.82281%0.807SS**  trans-55.8109163.5-144.2174156.200106.7G85 I89G85-E87 PolarHBondContact O-N 3.46Å; E87-I89 VanDerWaalsContact C-N 3.34Å; E87-I89 PolarHBondContact O-N 3.41Å
88V41.1Very low42.1Very low114 Ų114155.6 Ų155.669%0.69180%0.804SS**  trans-72.595.1175.9179.10000106.5S86 M90S86-V88 PolarHBondContact O-N 3.04Å; V88-M90 HydrophobicContact CG1-CE 3.59Å; V88-M90 PolarHBondContact O-N 3.46Å
89I48.7Very low41.7Very low150 Ų150153.1 Ų153.177%0.76981%0.809SS**  trans-73.8107.5169.8-58.7169.3000106.7E87E87-I89 VanDerWaalsContact C-N 3.34Å; E87-I89 PolarHBondContact O-N 3.41Å
90M37.7Very low41.6Very low142 Ų142149.7 Ų149.770%0.780%0.804SS**  trans-66.5132.6169.1-73.3-82.9121.400109.3V88 T92V88-M90 HydrophobicContact CG1-CE 3.59Å; V88-M90 PolarHBondContact O-N 3.46Å; M90-T92 PolarHBondContact O-N 3.02Å
91P38.6Very low41.5Very low121 Ų121142.9 Ų142.979%0.78680%0.797SS**  trans-75.7123.3170.129-29.8000109.8
92T47Very low41.2Very low146 Ų146138.9 Ų138.990%0.89680%0.801SS**  trans-81.2113.5168-25.20000108.8M90M90-T92 PolarHBondContact O-N 3.02Å
93N40Very low41.7Very low232 Ų232135 Ų135100%1.24180%0.802SS**  trans-165.60140.5-159.4-10000109.2

Retrieved 93 of 93 residues in 117.5 ms (Link to these results)