RL37A_SCHMA Loading...

Large ribosomal subunit protein eL43

AlphaFold DB , UniProt , Accession O17307, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 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
1D61.4Low91.8Very high214 Ų214111.7 Ų111.7100%1.14455%0.55SS**  0128.10-56.4-43.8000115
2K83.1Confident92.2Very high175 Ų175112.3 Ų112.376%0.76155%0.547SS*.  trans-98106.4174.1-174.9-179.8-178.5176.40109.7T4K2-T4 VanDerWaalsContact C-N 3.25Å; K2-T4 WeakPolarHBondContact CE-O 3.19Å; K2-T4 WeakPolarHBondContact CG-O 3.49Å; K2-T4 PolarHBondContact O-N 2.95Å; K2-T4 VanDerWaalsContact O-N 3.15Å
3R94Very high92.6Very high245 Ų245107.8 Ų107.893%0.92552%0.521SS*.SBendtrans-58.2-27.8-176.3-68.9-178.5-73.1177.2-4.2115.5
4T95.7Very high92.9Very high49 Ų49102.6 Ų102.630%0.30151%0.511SS..  trans-140.3136.6-177.870.90000111.3K2 V7 G8K2-T4 VanDerWaalsContact C-N 3.25Å; K2-T4 WeakPolarHBondContact CE-O 3.19Å; K2-T4 WeakPolarHBondContact CG-O 3.49Å; K2-T4 PolarHBondContact O-N 2.95Å; K2-T4 VanDerWaalsContact O-N 3.15Å; T4-V7 HydrophobicContact CG2-CG2 3.66Å; T4-G8 WeakPolarHBondContact OG1-CA 3.33Å; T4-G8 PolarHBondContact OG1-N 3.45Å
5K95Very high93.1Very high191 Ų191105 Ų10583%0.8353%0.532SS*.SBendtrans-72.8-49.9176.7-168.7171.3-177.11720112.5
6K95.4Very high93.5Very high169 Ų169106.8 Ų106.874%0.73553%0.53SS*.SBendtrans-119.3-37.1-171.5-62.9-178.2-178.7177.20114.9K26K6-K26 PolarHBondContact O-NZ 2.88Å
7V96.4Very high93.7Very high50 Ų50108.6 Ų108.630%0.30353%0.531SS..  trans-76.2-46.5-164.9-63.90000113.4T4 I9 V10 K26T4-V7 HydrophobicContact CG2-CG2 3.66Å; V7-I9 PolarHBondContact O-N 2.97Å; V7-V10 HydrophobicContact CB-CG2 4.25Å; V7-V10 WeakPolarHBondContact O-CG2 3.38Å; V7-K26 WeakPolarHBondContact O-CD 3.28Å; V7-K26 VanDerWaalsContact O-CE 3.27Å; V7-K26 WeakPolarHBondContact O-CE 3.48Å
8G96.7Very high93.9Very high34 Ų34104.7 Ų104.735%0.35152%0.524SS..G310 helixtrans60.6-134.6-175.900000112.1T4 V10 G11T4-G8 WeakPolarHBondContact OG1-CA 3.33Å; T4-G8 PolarHBondContact OG1-N 3.45Å; G8-V10 PolarHBondContact O-N 2.75Å; G8-V10 VanDerWaalsContact O-N 3.12Å; G8-G11 PolarHBondContact O-N 3.26Å
9I97.1Very high94.1Very high64 Ų64102.3 Ų102.333%0.32852%0.522SS..G310 helixtrans-57.3-29.1-173.9-165.9162.8000114.5V7 G11 K26 E29 I30 H33V7-I9 PolarHBondContact O-N 2.97Å; I9-G11 PolarHBondContact O-N 3.05Å; I9-K26 HydrophobicContact CG2-CG 4.32Å; I9-E29 HydrophobicContact CD1-CB 4.08Å; I9-E29 HydrophobicContact CG1-CB 4.46Å; I9-E29 HydrophobicContact CG2-CB 3.79Å; I9-I30 HydrophobicContact CG2-CG1 4.12Å; I9-H33 WeakPolarHBondContact CD1-ND1 3.14Å
10V97.9Very high94.3Very high4 Ų4101.6 Ų101.62%0.02453%0.526CS..G310 helixtrans-78.52.3177.9-61.20000113.6V7 G8 K12 Y13 R22 I25 K26V7-V10 HydrophobicContact CB-CG2 4.25Å; V7-V10 WeakPolarHBondContact O-CG2 3.38Å; G8-V10 PolarHBondContact O-N 2.75Å; G8-V10 VanDerWaalsContact O-N 3.12Å; V10-K12 PolarHBondContact O-N 2.87Å; V10-Y13 HydrophobicContact CB-CD2 3.82Å; V10-Y13 HydrophobicContact CB-CE2 4.19Å; V10-Y13 HydrophobicContact CG1-CD2 4.17Å; V10-Y13 HydrophobicContact CG1-CE2 4.03Å; V10-Y13 WeakPolarHBondContact O-CD2 3.31Å; V10-Y13 PolarHBondContact O-N 3.47Å; V10-Y13 VanDerWaalsContact O-N 3.16Å; V10-R22 HydrophobicContact CG2-CB 4.3Å; V10-I25 HydrophobicContact CG1-CG2 3.62Å; V10-K26 HydrophobicContact CB-CB 4.49Å; V10-K26 VanDerWaalsContact CG1-CA 3.48Å; V10-K26 HydrophobicContact CG1-CB 3.56Å; V10-K26 HydrophobicContact CG1-CG 4.19Å; V10-K26 HydrophobicContact CG2-CB 4.07Å; V10-K26 HydrophobicContact CG2-CD 4.24Å; V10-K26 HydrophobicContact CG2-CG 4.29Å
11G96.9Very high94.5Very high34 Ų34102.2 Ų102.235%0.35153%0.53SS..G310 helixtrans-57.6-28.5171.800000113G8 I9 Y13 G14G8-G11 PolarHBondContact O-N 3.26Å; I9-G11 PolarHBondContact O-N 3.05Å; G11-Y13 PolarHBondContact O-N 3.17Å; G11-Y13 VanDerWaalsContact O-N 3.12Å; G11-G14 PolarHBondContact O-N 2.99Å
12K97.5Very high96.2Very high119 Ų11994.5 Ų94.552%0.51749%0.485SS..G310 helixtrans-58.5-22.8175.769.2-176.3-179.1177.30114.4V10 G14 E29V10-K12 PolarHBondContact O-N 2.87Å; K12-G14 VanDerWaalsContact C-N 3.3Å; K12-E29 WeakPolarHBondContact CE-OE1 3.28Å; K12-E29 WeakPolarHBondContact CE-OE2 3.39Å; K12-E29 VanDerWaalsContact NZ-CD 3.35Å; K12-E29 IonicContact NZ-OE1 2.62Å; K12-E29 PolarHBondContact NZ-OE1 2.93Å; K12-E29 IonicContact NZ-OE2 3.35Å; K12-E29 PolarHBondContact NZ-OE2 3.4Å
13Y97.5Very high96.9Very high53 Ų5393.3 Ų93.321%0.20848%0.48CS..G310 helixtrans-82.9-7.3178.9-60.8-59.2000113.3V10 G11 V15 R16 Y17 I25 E29V10-Y13 HydrophobicContact CB-CD2 3.82Å; V10-Y13 HydrophobicContact CB-CE2 4.19Å; V10-Y13 HydrophobicContact CG1-CD2 4.17Å; V10-Y13 HydrophobicContact CG1-CE2 4.03Å; V10-Y13 WeakPolarHBondContact O-CD2 3.31Å; V10-Y13 PolarHBondContact O-N 3.47Å; V10-Y13 VanDerWaalsContact O-N 3.16Å; G11-Y13 PolarHBondContact O-N 3.17Å; G11-Y13 VanDerWaalsContact O-N 3.12Å; Y13-V15 PolarHBondContact O-N 2.83Å; Y13-R16 PolarHBondContact O-N 2.8Å; Y13-Y17 HydrophobicContact CD1-CD2 4.13Å; Y13-Y17 AromaticContact CD1-CE2 3.66Å; Y13-Y17 HydrophobicContact CD1-CE2 3.66Å; Y13-Y17 HydrophobicContact CG-CD2 4.14Å; Y13-Y17 HydrophobicContact CG-CE2 4.07Å; Y13-I25 HydrophobicContact CD2-CG2 4.48Å; Y13-I25 HydrophobicContact CE2-CG2 3.87Å; Y13-E29 PolarHBondContact OH-OE1 2.94Å; Y13-E29 VanDerWaalsContact OH-OE1 3.08Å
14G96.1Very high97.1Very high36 Ų3685.5 Ų85.537%0.37146%0.459SS..THydrogen-bonded Turntrans58-136.2-17900000111.6G11 K12 R16 R22G11-G14 PolarHBondContact O-N 2.99Å; K12-G14 VanDerWaalsContact C-N 3.3Å; G14-R16 VanDerWaalsContact C-N 3.34Å; G14-R22 PolarHBondContact O-NH1 3.08Å
15V96.8Very high97.2Very high138 Ų13885.8 Ų85.884%0.83646%0.458SS*.THydrogen-bonded Turntrans-81.6-8.5-179.8-62.20000114.2Y13Y13-V15 PolarHBondContact O-N 2.83Å
16R98.4Very high97.4Very high133 Ų13379.6 Ų79.650%0.50243%0.431SS..THydrogen-bonded Turntrans-73.4162.1-170.9-60.5-177.1-65.6-86.6-1113.2Y13 G14 G18Y13-R16 PolarHBondContact O-N 2.8Å; G14-R16 VanDerWaalsContact C-N 3.34Å; R16-G18 PolarHBondContact O-N 3.25Å; R16-G18 VanDerWaalsContact O-N 3.14Å
17Y97.7Very high97.5Very high139 Ų13979.5 Ų79.555%0.54543%0.431SS..THydrogen-bonded Turntrans68.4-1170.1-36.6-67.3000117.1Y13 L21Y13-Y17 HydrophobicContact CD1-CD2 4.13Å; Y13-Y17 AromaticContact CD1-CE2 3.66Å; Y13-Y17 HydrophobicContact CD1-CE2 3.66Å; Y13-Y17 HydrophobicContact CG-CD2 4.14Å; Y13-Y17 HydrophobicContact CG-CE2 4.07Å; Y17-L21 WeakPolarHBondContact O-CD1 3.32Å
18G97.3Very high97.6Very high38 Ų3879.3 Ų79.339%0.39243%0.427SS..  trans77.7167.2177.400000114.5R16 R22R16-G18 PolarHBondContact O-N 3.25Å; R16-G18 VanDerWaalsContact O-N 3.14Å; G18-R22 WeakPolarHBondContact O-CB 3.38Å; G18-R22 WeakPolarHBondContact O-CG 3.48Å; G18-R22 PolarHBondContact O-N 2.94Å; G18-R22 PolarHBondContact O-NE 3.49Å; G18-R22 VanDerWaalsContact O-NE 3.14Å
19A97.2Very high97.6Very high59 Ų5978 Ų7849%0.48841%0.412SS..Hα-helixtrans-76.4-37.8-171.700000113.4R22 K23A19-R22 PolarHBondContact O-N 3.46Å; A19-K23 WeakPolarHBondContact O-CG 3.42Å; A19-K23 PolarHBondContact O-N 2.99Å
20S98.1Very high97.7Very high88 Ų8879.4 Ų79.462%0.61542%0.419SS*.Hα-helixtrans-63.1-52.8-177.8-173.10000111.5R22 K23 T24S20-R22 VanDerWaalsContact C-N 3.31Å; S20-R22 PolarHBondContact O-N 3Å; S20-K23 WeakPolarHBondContact O-CB 3.44Å; S20-K23 PolarHBondContact O-N 3.24Å; S20-T24 PolarHBondContact O-N 3.14Å; S20-T24 VanDerWaalsContact O-N 3.09Å; S20-T24 PolarHBondContact O-OG1 3.18Å
21L98Very high97.6Very high114 Ų11480.3 Ų80.360%0.59743%0.426SS*.Hα-helixtrans-59.4-41.7178.1-61.1-176.1000111.8Y17 K23 T24 I25Y17-L21 WeakPolarHBondContact O-CD1 3.32Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.18Å; L21-T24 PolarHBondContact O-N 2.85Å; L21-I25 PolarHBondContact O-N 3.31Å
22R98Very high97.7Very high53 Ų5380 Ų8020%0.242%0.416CS..Hα-helixtrans-64-34.5176-74.5-171.8-62.4165-1.1113V10 G14 G18 A19 S20 K26V10-R22 HydrophobicContact CG2-CB 4.3Å; G14-R22 PolarHBondContact O-NH1 3.08Å; G18-R22 WeakPolarHBondContact O-CB 3.38Å; G18-R22 WeakPolarHBondContact O-CG 3.48Å; G18-R22 PolarHBondContact O-N 2.94Å; G18-R22 PolarHBondContact O-NE 3.49Å; G18-R22 VanDerWaalsContact O-NE 3.14Å; A19-R22 PolarHBondContact O-N 3.46Å; S20-R22 VanDerWaalsContact C-N 3.31Å; S20-R22 PolarHBondContact O-N 3Å; R22-K26 WeakPolarHBondContact O-CB 3.38Å; R22-K26 PolarHBondContact O-N 3.41Å
23K98Very high97.7Very high150 Ų15079.2 Ų79.265%0.65241%0.414SS*.Hα-helixtrans-67.3-41.4174.2-74.1173.2-177178.70111.6A19 S20 L21 K27A19-K23 WeakPolarHBondContact O-CG 3.42Å; A19-K23 PolarHBondContact O-N 2.99Å; S20-K23 WeakPolarHBondContact O-CB 3.44Å; S20-K23 PolarHBondContact O-N 3.24Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.18Å; K23-K27 PolarHBondContact O-N 3.44Å
24T98.1Very high97.7Very high80 Ų8078.3 Ų78.349%0.49142%0.417SS..Hα-helixtrans-65-53.2178.1-58.80000111.2S20 L21 K26 K27 I28S20-T24 PolarHBondContact O-N 3.14Å; S20-T24 VanDerWaalsContact O-N 3.09Å; S20-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 PolarHBondContact O-N 2.85Å; T24-K26 VanDerWaalsContact C-N 3.26Å; T24-K26 PolarHBondContact O-N 3.14Å; T24-K27 PolarHBondContact O-N 3.09Å; T24-K27 VanDerWaalsContact O-N 3.16Å; T24-I28 HydrophobicContact CG2-CD1 4.46Å; T24-I28 PolarHBondContact O-N 2.83Å
25I98Very high97.7Very high55 Ų5582.9 Ų82.928%0.28243%0.426SS..Hα-helixtrans-65-33-178.9-157.661.4000111.1V10 Y13 L21 K27 I28 E29V10-I25 HydrophobicContact CG1-CG2 3.62Å; Y13-I25 HydrophobicContact CD2-CG2 4.48Å; Y13-I25 HydrophobicContact CE2-CG2 3.87Å; L21-I25 PolarHBondContact O-N 3.31Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.06Å; I25-I28 HydrophobicContact CD1-CB 4.34Å; I25-I28 HydrophobicContact CD1-CD1 4.31Å; I25-I28 HydrophobicContact CD1-CG2 4.42Å; I25-I28 CarbonylContact O-C 3.57Å; I25-I28 WeakPolarHBondContact O-CB 3.48Å; I25-I28 PolarHBondContact O-N 2.92Å; I25-E29 HydrophobicContact CG1-CG 3.97Å; I25-E29 VanDerWaalsContact O-CG 3.28Å; I25-E29 WeakPolarHBondContact O-CG 3.33Å; I25-E29 PolarHBondContact O-N 2.81Å
26K98.3Very high97.8Very high62 Ų6279 Ų7927%0.2740%0.397SS..Hα-helixtrans-54.4-43.7174.9-176.1-178.7-179.2-172.80112.3K6 V7 I9 V10 R22 T24 I28 I30K6-K26 PolarHBondContact O-NZ 2.88Å; V7-K26 WeakPolarHBondContact O-CD 3.28Å; V7-K26 VanDerWaalsContact O-CE 3.27Å; V7-K26 WeakPolarHBondContact O-CE 3.48Å; I9-K26 HydrophobicContact CG2-CG 4.32Å; V10-K26 HydrophobicContact CB-CB 4.49Å; V10-K26 VanDerWaalsContact CG1-CA 3.48Å; V10-K26 HydrophobicContact CG1-CB 3.56Å; V10-K26 HydrophobicContact CG1-CG 4.19Å; V10-K26 HydrophobicContact CG2-CB 4.07Å; V10-K26 HydrophobicContact CG2-CD 4.24Å; V10-K26 HydrophobicContact CG2-CG 4.29Å; R22-K26 WeakPolarHBondContact O-CB 3.38Å; R22-K26 PolarHBondContact O-N 3.41Å; T24-K26 VanDerWaalsContact C-N 3.26Å; T24-K26 PolarHBondContact O-N 3.14Å; K26-I28 VanDerWaalsContact C-N 3.33Å; K26-I28 PolarHBondContact O-N 3.11Å; K26-I30 HydrophobicContact CG-CD1 3.8Å; K26-I30 HydrophobicContact CG-CG1 4.46Å; K26-I30 WeakPolarHBondContact O-CB 3.24Å; K26-I30 WeakPolarHBondContact O-CD1 3.37Å; K26-I30 WeakPolarHBondContact O-CG1 3.3Å; K26-I30 PolarHBondContact O-N 3.27Å
27K97.7Very high97.7Very high167 Ų16776.4 Ų76.473%0.72639%0.393SS*.Hα-helixtrans-61.5-44.2177.8-66.2-179.2179.7-177.90110.9K23 T24 I25 S31K23-K27 PolarHBondContact O-N 3.44Å; T24-K27 PolarHBondContact O-N 3.09Å; T24-K27 VanDerWaalsContact O-N 3.16Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.06Å; K27-S31 PolarHBondContact O-N 3.03Å
28I97.9Very high97.8Very high45 Ų4569.9 Ų69.923%0.23137%0.368CS..Hα-helixtrans-68-43.3-179.8-63.1171.6000111.7T24 I25 K26 S31 Q32 Y68T24-I28 HydrophobicContact CG2-CD1 4.46Å; T24-I28 PolarHBondContact O-N 2.83Å; I25-I28 HydrophobicContact CD1-CB 4.34Å; I25-I28 HydrophobicContact CD1-CD1 4.31Å; I25-I28 HydrophobicContact CD1-CG2 4.42Å; I25-I28 CarbonylContact O-C 3.57Å; I25-I28 WeakPolarHBondContact O-CB 3.48Å; I25-I28 PolarHBondContact O-N 2.92Å; K26-I28 VanDerWaalsContact C-N 3.33Å; K26-I28 PolarHBondContact O-N 3.11Å; I28-S31 PolarHBondContact O-N 2.79Å; I28-S31 PolarHBondContact O-OG 3.46Å; I28-Q32 WeakPolarHBondContact O-CG 3.38Å; I28-Q32 PolarHBondContact O-N 3.46Å; I28-Y68 HydrophobicContact CG2-CD1 3.39Å; I28-Y68 HydrophobicContact CG2-CD2 3.8Å; I28-Y68 HydrophobicContact CG2-CE1 3.73Å; I28-Y68 HydrophobicContact CG2-CE2 4.11Å; I28-Y68 HydrophobicContact CG2-CG 3.43Å; I28-Y68 VanDerWaalsContact CG2-CG 3.43Å
29E97.9Very high97.7Very high7 Ų775.3 Ų75.33%0.03339%0.388CS..Hα-helixtrans-68.1-36.6-179.3-64.2-147.9128.100112.7I9 K12 Y13 I25 H33I9-E29 HydrophobicContact CD1-CB 4.08Å; I9-E29 HydrophobicContact CG1-CB 4.46Å; I9-E29 HydrophobicContact CG2-CB 3.79Å; K12-E29 WeakPolarHBondContact CE-OE1 3.28Å; K12-E29 WeakPolarHBondContact CE-OE2 3.39Å; K12-E29 VanDerWaalsContact NZ-CD 3.35Å; K12-E29 IonicContact NZ-OE1 2.62Å; K12-E29 PolarHBondContact NZ-OE1 2.93Å; K12-E29 IonicContact NZ-OE2 3.35Å; K12-E29 PolarHBondContact NZ-OE2 3.4Å; Y13-E29 PolarHBondContact OH-OE1 2.94Å; Y13-E29 VanDerWaalsContact OH-OE1 3.08Å; I25-E29 HydrophobicContact CG1-CG 3.97Å; I25-E29 VanDerWaalsContact O-CG 3.28Å; I25-E29 WeakPolarHBondContact O-CG 3.33Å; I25-E29 PolarHBondContact O-N 2.81Å; E29-H33 WeakPolarHBondContact O-CB 3.34Å; E29-H33 PolarHBondContact O-N 3.19Å; E29-H33 PolarHBondContact O-ND1 2.8Å
30I97.8Very high97.7Very high93 Ų9378.4 Ų78.448%0.47739%0.391SS..Hα-helixtrans-63.1-48.6174.3-70.7168.1000109.6I9 K26 H33 A34I9-I30 HydrophobicContact CG2-CG1 4.12Å; K26-I30 HydrophobicContact CG-CD1 3.8Å; K26-I30 HydrophobicContact CG-CG1 4.46Å; K26-I30 WeakPolarHBondContact O-CB 3.24Å; K26-I30 WeakPolarHBondContact O-CD1 3.37Å; K26-I30 WeakPolarHBondContact O-CG1 3.3Å; K26-I30 PolarHBondContact O-N 3.27Å; I30-H33 PolarHBondContact O-N 2.78Å; I30-A34 PolarHBondContact O-N 3.11Å; I30-A34 VanDerWaalsContact O-N 3.13Å
31S97.5Very high97.7Very high23 Ų2376.4 Ų76.416%0.16138%0.376CS..Hα-helixtrans-67.2-43-176.672.40000112.4K27 I28 H33 A34 Y36 Y68K27-S31 PolarHBondContact O-N 3.03Å; I28-S31 PolarHBondContact O-N 2.79Å; I28-S31 PolarHBondContact O-OG 3.46Å; S31-H33 VanDerWaalsContact C-N 3.27Å; S31-H33 PolarHBondContact O-N 2.93Å; S31-A34 PolarHBondContact O-N 3.45Å; S31-Y36 WeakPolarHBondContact O-CE2 3.49Å; S31-Y36 PolarHBondContact O-OH 2.85Å; S31-Y68 CarbonylContact C-O 3.18Å; S31-Y68 WeakPolarHBondContact CB-O 3.48Å; S31-Y68 PolarHBondContact OG-O 3.34Å
32Q97.8Very high97.7Very high29 Ų2973.4 Ų73.414%0.13637%0.373CS..Hα-helixtrans-67.9-27.1-177.574.7175.7-38.200113.5I28 Y68I28-Q32 WeakPolarHBondContact O-CG 3.38Å; I28-Q32 PolarHBondContact O-N 3.46Å; Q32-Y68 WeakPolarHBondContact CA-O 3.21Å; Q32-Y68 HydrophobicContact CB-CD1 4.33Å; Q32-Y68 PolarHBondContact N-O 2.98Å; Q32-Y68 VanDerWaalsContact N-O 3.14Å
33H97.5Very high97.7Very high102 Ų10277 Ų7747%0.47239%0.39SS..Hα-helixtrans-94.9-9-179.8-64141.6000113.8I9 E29 I30 S31I9-H33 WeakPolarHBondContact CD1-ND1 3.14Å; E29-H33 WeakPolarHBondContact O-CB 3.34Å; E29-H33 PolarHBondContact O-N 3.19Å; E29-H33 PolarHBondContact O-ND1 2.8Å; I30-H33 PolarHBondContact O-N 2.78Å; S31-H33 VanDerWaalsContact C-N 3.27Å; S31-H33 PolarHBondContact O-N 2.93Å
34A97.3Very high97.7Very high33 Ų3374.8 Ų74.827%0.27339%0.385SS..SBendtrans-62.9153.4176.800000111.5I30 S31 Y36I30-A34 PolarHBondContact O-N 3.11Å; I30-A34 VanDerWaalsContact O-N 3.13Å; S31-A34 PolarHBondContact O-N 3.45Å; A34-Y36 HydrophobicContact CB-CD2 4.48Å; A34-Y36 HydrophobicContact CB-CE2 3.88Å
35K97.6Very high97.7Very high133 Ų13371.9 Ų71.958%0.57837%0.368SS*.  trans-89.3137.3162.9-69.2174.8177.7-177.90107.5D44 L46 K47K35-D44 WeakPolarHBondContact CD-O 3.43Å; K35-L46 WeakPolarHBondContact CA-O 3.44Å; K35-K47 VanDerWaalsContact CE-CE 3.46Å; K35-K47 HydrophobicContact CG-CD 4.25Å; K35-K47 HydrophobicContact CG-CG 3.99Å
36Y97.4Very high97.7Very high57 Ų5769.8 Ų69.822%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-114.2158175.3-68.3-88.5000110.6S31 A34 D44 S45 L46 W54 C70S31-Y36 WeakPolarHBondContact O-CE2 3.49Å; S31-Y36 PolarHBondContact O-OH 2.85Å; A34-Y36 HydrophobicContact CB-CD2 4.48Å; A34-Y36 HydrophobicContact CB-CE2 3.88Å; Y36-D44 CarbonylContact O-C 3.38Å; Y36-D44 WeakPolarHBondContact O-CA 3.43Å; Y36-S45 PolarHBondContact O-N 3.25Å; Y36-L46 PolarHBondContact N-O 3.18Å; Y36-L46 VanDerWaalsContact O-CB 3.3Å; Y36-L46 WeakPolarHBondContact O-CB 3.45Å; Y36-L46 PolarHBondContact O-N 3.03Å; Y36-L46 VanDerWaalsContact O-N 3.11Å; Y36-W54 HydrophobicContact CD2-CE3 4.23Å; Y36-W54 HydrophobicContact CD2-CH2 4.18Å; Y36-W54 AromaticContact CD2-CZ3 3.54Å; Y36-W54 HydrophobicContact CD2-CZ3 3.54Å; Y36-W54 AromaticContact CE2-CH2 3.73Å; Y36-W54 HydrophobicContact CE2-CH2 3.73Å; Y36-W54 AromaticContact CE2-CZ3 3.55Å; Y36-W54 HydrophobicContact CE2-CZ3 3.55Å; Y36-C70 HydrophobicContact CD2-CB 4.31Å; Y36-C70 HydrophobicContact CG-CB 4.31Å; Y36-C70 VanDerWaalsContact CG-SG 3.59Å
37N97.8Very high97.7Very high78 Ų7870.3 Ų70.342%0.41736%0.36SS..EExtended strand (participates in β ladder)trans-64.5134.5171.8-167-92.4000110.4G42 D44N37-G42 PolarHBondContact ND2-O 3.09Å; N37-D44 VanDerWaalsContact CA-OD1 3.24Å; N37-D44 WeakPolarHBondContact CA-OD1 3.24Å; N37-D44 WeakPolarHBondContact CB-OD1 3.37Å; N37-D44 PolarHBondContact ND2-OD1 2.97Å
38C97.9Very high97.7Very high1 Ų166.2 Ų66.21%0.00734%0.34CS..  trans-93.5112.8177.3179.10000110.6F40 C41 G42 K43 L46 C56 C59C38-F40 PolarHBondContact O-N 3.06Å; C38-C41 PolarHBondContact O-N 3.26Å; C38-C41 VanDerWaalsContact SG-SG 3.67Å; C38-G42 WeakPolarHBondContact O-CA 3.47Å; C38-G42 PolarHBondContact O-N 3.32Å; C38-K43 WeakPolarHBondContact CB-O 3.47Å; C38-K43 PolarHBondContact N-O 3.41Å; C38-L46 HydrophobicContact CB-CB 4.4Å; C38-C56 HydrophobicContact CB-CB 4.23Å; C38-C56 PolarHBondContact SG-SG 3.08Å; C38-C59 VanDerWaalsContact SG-SG 3.61Å
39N96Very high97.7Very high153 Ų15370.7 Ų70.782%0.81836%0.357SS*.THydrogen-bonded Turntrans-58.1-15.2178.7-64.1-4.9000115
40F97.7Very high97.7Very high124 Ų12472.3 Ų72.354%0.54437%0.372SS..THydrogen-bonded Turntrans-91.1-34179.2-53.2-79.7000113.8C38 K61 V63C38-F40 PolarHBondContact O-N 3.06Å; F40-K61 HydrophobicContact CB-CG 4.05Å; F40-K61 HydrophobicContact CD1-CG 4.34Å; F40-K61 HydrophobicContact CD2-CB 3.57Å; F40-K61 HydrophobicContact CD2-CG 3.8Å; F40-K61 HydrophobicContact CE2-CB 3.86Å; F40-K61 HydrophobicContact CE2-CG 4.35Å; F40-K61 HydrophobicContact CG-CB 4.12Å; F40-K61 HydrophobicContact CG-CG 3.8Å; F40-V63 HydrophobicContact CE2-CG1 3.36Å; F40-V63 HydrophobicContact CZ-CG1 3.72Å
41C97.9Very high97.7Very high46 Ų4671.1 Ų71.131%0.31138%0.376SS..THydrogen-bonded Turntrans-127.50.8-173.870.10000114.1C38 K43 C56 C59C38-C41 PolarHBondContact O-N 3.26Å; C38-C41 VanDerWaalsContact SG-SG 3.67Å; C41-K43 PolarHBondContact O-N 3.24Å; C41-C56 VanDerWaalsContact SG-SG 3.6Å; C41-C59 HydrophobicContact CB-CB 3.75Å; C41-C59 VanDerWaalsContact SG-SG 3.61Å
42G97.6Very high97.7Very high51 Ų5171 Ų7153%0.52638%0.378SS..  trans70-4.4179.200000115.7N37 C38N37-G42 PolarHBondContact ND2-O 3.09Å; C38-G42 WeakPolarHBondContact O-CA 3.47Å; C38-G42 PolarHBondContact O-N 3.32Å
43K98Very high97.8Very high128 Ų12873.1 Ų73.156%0.55739%0.39SS*.  trans-85.1141.2-177.3-66.2173.2179.3179.10112.1C38 C41 S45 A58C38-K43 WeakPolarHBondContact CB-O 3.47Å; C38-K43 PolarHBondContact N-O 3.41Å; C41-K43 PolarHBondContact O-N 3.24Å; K43-S45 PolarHBondContact O-N 2.88Å; K43-A58 HydrophobicContact CB-CB 4.3Å; K43-A58 HydrophobicContact CD-CB 3.48Å; K43-A58 VanDerWaalsContact CD-CB 3.48Å
44D97.8Very high97.8Very high104 Ų10468.3 Ų68.356%0.55637%0.367SS*.EExtended strand (participates in β ladder)trans-7567.7171.5-69.2-14.2000111.6K35 Y36 N37K35-D44 WeakPolarHBondContact CD-O 3.43Å; Y36-D44 CarbonylContact O-C 3.38Å; Y36-D44 WeakPolarHBondContact O-CA 3.43Å; N37-D44 VanDerWaalsContact CA-OD1 3.24Å; N37-D44 WeakPolarHBondContact CA-OD1 3.24Å; N37-D44 WeakPolarHBondContact CB-OD1 3.37Å; N37-D44 PolarHBondContact ND2-OD1 2.97Å
45S97.9Very high97.9Very high18 Ų1868.9 Ų68.913%0.12637%0.365CS..EExtended strand (participates in β ladder)trans-137.55.1-172.964.20000113.5Y36 K43 K47 C56 K57 A58Y36-S45 PolarHBondContact O-N 3.25Å; K43-S45 PolarHBondContact O-N 2.88Å; S45-K47 PolarHBondContact O-N 3.1Å; S45-C56 PolarHBondContact OG-SG 3.38Å; S45-K57 PolarHBondContact O-N 3.14Å; S45-A58 VanDerWaalsContact OG-CB 3.31Å; S45-A58 WeakPolarHBondContact OG-CB 3.4Å
46L98.1Very high97.9Very high12 Ų1262.6 Ų62.66%0.06334%0.337CS..EExtended strand (participates in β ladder)trans-73.6120.2171-170.868.6000109.3K35 Y36 C38 W54 C56 V63 C70K35-L46 WeakPolarHBondContact CA-O 3.44Å; Y36-L46 PolarHBondContact N-O 3.18Å; Y36-L46 VanDerWaalsContact O-CB 3.3Å; Y36-L46 WeakPolarHBondContact O-CB 3.45Å; Y36-L46 PolarHBondContact O-N 3.03Å; Y36-L46 VanDerWaalsContact O-N 3.11Å; C38-L46 HydrophobicContact CB-CB 4.4Å; L46-W54 HydrophobicContact CD1-CB 3.94Å; L46-W54 HydrophobicContact CD2-CB 4.48Å; L46-W54 HydrophobicContact CG-CB 4.14Å; L46-C56 HydrophobicContact CD1-CB 4.11Å; L46-V63 HydrophobicContact CD1-CG2 4.1Å; L46-V63 HydrophobicContact CD2-CG2 4.33Å; L46-C70 HydrophobicContact CD2-CB 3.96Å
47K98Very high97.9Very high73 Ų7366.3 Ų66.332%0.31735%0.354SS..EExtended strand (participates in β ladder)trans-130.9153.1178.8-76.5-160.1170.7-161.20111.1K35 S45 K49 W54 E55K35-K47 VanDerWaalsContact CE-CE 3.46Å; K35-K47 HydrophobicContact CG-CD 4.25Å; K35-K47 HydrophobicContact CG-CG 3.99Å; S45-K47 PolarHBondContact O-N 3.1Å; K47-K49 PolarHBondContact O-N 3.23Å; K47-W54 VanDerWaalsContact C-CE3 3.48Å; K47-W54 CarbonylContact O-C 3.55Å; K47-W54 WeakPolarHBondContact O-CA 3.34Å; K47-E55 PolarHBondContact N-O 2.82Å; K47-E55 PolarHBondContact O-N 3.42Å
48R98.4Very high97.9Very high81 Ų8164.8 Ų64.831%0.30635%0.353SS..EExtended strand (participates in β ladder)trans-65.8128.9173.5-171178.6177.6-89.83.2110.4A50 W54 A67R48-A50 WeakPolarHBondContact CG-O 3.45Å; R48-W54 HydrophobicContact CB-CD2 4.23Å; R48-W54 HydrophobicContact CB-CE3 3.98Å; R48-W54 HydrophobicContact CB-CH2 3.83Å; R48-W54 HydrophobicContact CB-CZ2 4.07Å; R48-W54 HydrophobicContact CB-CZ3 3.77Å; R48-W54 HydrophobicContact CG-CH2 4.43Å; R48-W54 HydrophobicContact CG-CZ2 4.21Å; R48-W54 VanDerWaalsContact N-CE3 3.26Å; R48-A67 PolarHBondContact NE-O 2.95Å
49K97.9Very high97.9Very high138 Ų13866.8 Ų66.860%0.637%0.367SS*.EExtended strand (participates in β ladder)trans-101.1-46.4172.6-173.7178.7-164.6159.10111.2K47 I53 E55K47-K49 PolarHBondContact O-N 3.23Å; K49-I53 HydrophobicContact CB-CG2 4.23Å; K49-I53 HydrophobicContact CD-CG2 4.47Å; K49-I53 PolarHBondContact N-O 3.3Å; K49-E55 HydrophobicContact CB-CB 4.45Å; K49-E55 HydrophobicContact CD-CB 4.49Å; K49-E55 VanDerWaalsContact CD-OE2 3.28Å; K49-E55 WeakPolarHBondContact CD-OE2 3.07Å; K49-E55 WeakPolarHBondContact CE-OE2 3.4Å; K49-E55 IonicContact NZ-OE2 2.75Å; K49-E55 PolarHBondContact NZ-OE2 2.97Å
50A98.1Very high98Very high41 Ų4166.2 Ų66.234%0.33936%0.357SS..EExtended strand (participates in β ladder)trans-145.6-179.3175.800000109.7R48 G52 I53R48-A50 WeakPolarHBondContact CG-O 3.45Å; A50-G52 PolarHBondContact O-N 3.33Å; A50-I53 HydrophobicContact CB-CB 4.16Å; A50-I53 HydrophobicContact CB-CD1 4.21Å; A50-I53 HydrophobicContact CB-CG1 4.38Å; A50-I53 PolarHBondContact N-O 3.5Å; A50-I53 PolarHBondContact O-N 3.31Å; A50-I53 VanDerWaalsContact O-N 3.14Å
51A97.9Very high98.1Very high69 Ų6965.7 Ų65.757%0.5735%0.354SS*.THydrogen-bonded Turntrans-59.7122.517300000109.8I53A51-I53 PolarHBondContact O-N 3.13Å
52G97.9Very high98.1Very high20 Ų2067.4 Ų67.421%0.20636%0.363CS..THydrogen-bonded Turntrans73.7-3.2-178.800000115.4A50 A64 G65A50-G52 PolarHBondContact O-N 3.33Å; G52-A64 CarbonylContact O-C 3.55Å; G52-A64 WeakPolarHBondContact O-CA 3.21Å; G52-G65 WeakPolarHBondContact CA-O 3.28Å; G52-G65 PolarHBondContact O-N 3.29Å
53I98.4Very high98.1Very high74 Ų7466.7 Ų66.738%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-114.5122.7-178.4-55-179.7000110K49 A50 A51 V62K49-I53 HydrophobicContact CB-CG2 4.23Å; K49-I53 HydrophobicContact CD-CG2 4.47Å; K49-I53 PolarHBondContact N-O 3.3Å; A50-I53 HydrophobicContact CB-CB 4.16Å; A50-I53 HydrophobicContact CB-CD1 4.21Å; A50-I53 HydrophobicContact CB-CG1 4.38Å; A50-I53 PolarHBondContact N-O 3.5Å; A50-I53 PolarHBondContact O-N 3.31Å; A50-I53 VanDerWaalsContact O-N 3.14Å; A51-I53 PolarHBondContact O-N 3.13Å; I53-V62 HydrophobicContact CG2-CG1 3.57Å
54W98.5Very high98.1Very high0 Ų065.4 Ų65.40%036%0.361CS..EExtended strand (participates in β ladder)trans-123.1131.3-179.3-63.477.9000110.2Y36 L46 K47 R48 V62 V63 G66 C70Y36-W54 HydrophobicContact CD2-CE3 4.23Å; Y36-W54 HydrophobicContact CD2-CH2 4.18Å; Y36-W54 AromaticContact CD2-CZ3 3.54Å; Y36-W54 HydrophobicContact CD2-CZ3 3.54Å; Y36-W54 AromaticContact CE2-CH2 3.73Å; Y36-W54 HydrophobicContact CE2-CH2 3.73Å; Y36-W54 AromaticContact CE2-CZ3 3.55Å; Y36-W54 HydrophobicContact CE2-CZ3 3.55Å; L46-W54 HydrophobicContact CD1-CB 3.94Å; L46-W54 HydrophobicContact CD2-CB 4.48Å; L46-W54 HydrophobicContact CG-CB 4.14Å; K47-W54 VanDerWaalsContact C-CE3 3.48Å; K47-W54 CarbonylContact O-C 3.55Å; K47-W54 WeakPolarHBondContact O-CA 3.34Å; R48-W54 HydrophobicContact CB-CD2 4.23Å; R48-W54 HydrophobicContact CB-CE3 3.98Å; R48-W54 HydrophobicContact CB-CH2 3.83Å; R48-W54 HydrophobicContact CB-CZ2 4.07Å; R48-W54 HydrophobicContact CB-CZ3 3.77Å; R48-W54 HydrophobicContact CG-CH2 4.43Å; R48-W54 HydrophobicContact CG-CZ2 4.21Å; R48-W54 VanDerWaalsContact N-CE3 3.26Å; W54-V62 CarbonylContact O-C 3.5Å; W54-V62 VanDerWaalsContact O-CA 3.28Å; W54-V62 WeakPolarHBondContact O-CA 3.2Å; W54-V63 HydrophobicContact CB-CG2 3.76Å; W54-V63 PolarHBondContact N-O 3.32Å; W54-V63 PolarHBondContact O-N 3.16Å; W54-G66 PolarHBondContact NE1-O 2.91Å; W54-C70 HydrophobicContact CD2-CB 3.73Å; W54-C70 HydrophobicContact CE3-CB 3.86Å; W54-C70 HydrophobicContact CG-CB 4.16Å; W54-C70 HydrophobicContact CZ2-CB 4.41Å; W54-C70 HydrophobicContact CZ3-CB 4.25Å
55E98.5Very high98Very high46 Ų4661.8 Ų61.822%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-121.7130.8-177.7-176.6180156.300110.5K47 K49 V62K47-E55 PolarHBondContact N-O 2.82Å; K47-E55 PolarHBondContact O-N 3.42Å; K49-E55 HydrophobicContact CB-CB 4.45Å; K49-E55 HydrophobicContact CD-CB 4.49Å; K49-E55 VanDerWaalsContact CD-OE2 3.28Å; K49-E55 WeakPolarHBondContact CD-OE2 3.07Å; K49-E55 WeakPolarHBondContact CE-OE2 3.4Å; K49-E55 IonicContact NZ-OE2 2.75Å; K49-E55 PolarHBondContact NZ-OE2 2.97Å; E55-V62 HydrophobicContact CB-CG2 4.23Å; E55-V62 HydrophobicContact CG-CG2 3.96Å
56C98.5Very high98Very high0 Ų061.3 Ų61.30%035%0.347CS..EExtended strand (participates in β ladder)trans-82.9115.5172.2-179.90000109.9C38 C41 S45 L46 A58 C59 K60 K61C38-C56 HydrophobicContact CB-CB 4.23Å; C38-C56 PolarHBondContact SG-SG 3.08Å; C41-C56 VanDerWaalsContact SG-SG 3.6Å; S45-C56 PolarHBondContact OG-SG 3.38Å; L46-C56 HydrophobicContact CD1-CB 4.11Å; C56-A58 PolarHBondContact O-N 2.83Å; C56-C59 PolarHBondContact SG-SG 3.08Å; C56-K60 WeakPolarHBondContact O-CA 3.38Å; C56-K60 PolarHBondContact O-N 3.02Å; C56-K61 PolarHBondContact N-O 3.14Å
57K97.7Very high98Very high135 Ų13562.9 Ų62.959%0.58736%0.361SS*.THydrogen-bonded Turntrans-62.6-31.4-179.9-71.1-165.2172.8-161.50113.2S45 K60S45-K57 PolarHBondContact O-N 3.14Å; K57-K60 WeakPolarHBondContact O-CE 3.21Å; K57-K60 PolarHBondContact O-NZ 3.45Å
58A98Very high98Very high47 Ų4764.7 Ų64.739%0.38837%0.367SS..THydrogen-bonded Turntrans-80.4-48-174.600000113.4K43 S45 C56K43-A58 HydrophobicContact CB-CB 4.3Å; K43-A58 HydrophobicContact CD-CB 3.48Å; K43-A58 VanDerWaalsContact CD-CB 3.48Å; S45-A58 VanDerWaalsContact OG-CB 3.31Å; S45-A58 WeakPolarHBondContact OG-CB 3.4Å; C56-A58 PolarHBondContact O-N 2.83Å
59C98.1Very high98Very high43 Ų4363.2 Ų63.229%0.29137%0.367SS..THydrogen-bonded Turntrans-106.22.7-177.770.50000114.5C38 C41 C56 K61C38-C59 VanDerWaalsContact SG-SG 3.61Å; C41-C59 HydrophobicContact CB-CB 3.75Å; C41-C59 VanDerWaalsContact SG-SG 3.61Å; C56-C59 PolarHBondContact SG-SG 3.08Å; C59-K61 PolarHBondContact O-N 2.98Å
60K98.1Very high97.8Very high140 Ų14058 Ų5861%0.60935%0.348SS*.  trans60.27.7179.2-50.6-54.4-173.7-168.40115.7C56 K57 V62C56-K60 WeakPolarHBondContact O-CA 3.38Å; C56-K60 PolarHBondContact O-N 3.02Å; K57-K60 WeakPolarHBondContact O-CE 3.21Å; K57-K60 PolarHBondContact O-NZ 3.45Å; K60-V62 PolarHBondContact O-N 3.33Å
61K98.2Very high97.7Very high113 Ų11358.4 Ų58.449%0.49135%0.348SS..  trans-66132.7172.9-66.8-67.5-175.1-178.80110.1F40 C56 C59F40-K61 HydrophobicContact CB-CG 4.05Å; F40-K61 HydrophobicContact CD1-CG 4.34Å; F40-K61 HydrophobicContact CD2-CB 3.57Å; F40-K61 HydrophobicContact CD2-CG 3.8Å; F40-K61 HydrophobicContact CE2-CB 3.86Å; F40-K61 HydrophobicContact CE2-CG 4.35Å; F40-K61 HydrophobicContact CG-CB 4.12Å; F40-K61 HydrophobicContact CG-CG 3.8Å; C56-K61 PolarHBondContact N-O 3.14Å; C59-K61 PolarHBondContact O-N 2.98Å
62V98.2Very high97.7Very high82 Ų8257.6 Ų57.650%0.49734%0.336SS..EExtended strand (participates in β ladder)trans-107.7134.3174.1-177.60000108I53 W54 E55 K60I53-V62 HydrophobicContact CG2-CG1 3.57Å; W54-V62 CarbonylContact O-C 3.5Å; W54-V62 VanDerWaalsContact O-CA 3.28Å; W54-V62 WeakPolarHBondContact O-CA 3.2Å; E55-V62 HydrophobicContact CB-CG2 4.23Å; E55-V62 HydrophobicContact CG-CG2 3.96Å; K60-V62 PolarHBondContact O-N 3.33Å
63V97.4Very high97.6Very high37 Ų3762.3 Ų62.322%0.22436%0.361CS..EExtended strand (participates in β ladder)trans-128.2144.9177.1-62.60000111.3F40 L46 W54F40-V63 HydrophobicContact CE2-CG1 3.36Å; F40-V63 HydrophobicContact CZ-CG1 3.72Å; L46-V63 HydrophobicContact CD1-CG2 4.1Å; L46-V63 HydrophobicContact CD2-CG2 4.33Å; W54-V63 HydrophobicContact CB-CG2 3.76Å; W54-V63 PolarHBondContact N-O 3.32Å; W54-V63 PolarHBondContact O-N 3.16Å
64A98Very high97.6Very high100 Ų10061.5 Ų61.583%0.82637%0.366SS*.EExtended strand (participates in β ladder)trans-72.9135163.400000109.4G52G52-A64 CarbonylContact O-C 3.55Å; G52-A64 WeakPolarHBondContact O-CA 3.21Å
65G96.9Very high97.6Very high29 Ų2963 Ų6330%0.29938%0.377SS..  trans-149.3-164.6-179.400000111.6G52 C70G52-G65 WeakPolarHBondContact CA-O 3.28Å; G52-G65 PolarHBondContact O-N 3.29Å; G65-C70 WeakPolarHBondContact CA-O 3.41Å
66G97.9Very high97.5Very high7 Ų764 Ų647%0.07239%0.387CS..  trans-73.1169.2173.700000113W54 Y68 V69W54-G66 PolarHBondContact NE1-O 2.91Å; G66-Y68 VanDerWaalsContact C-N 3.35Å; G66-Y68 PolarHBondContact O-N 3.46Å; G66-V69 CarbonylContact C-O 3.56Å; G66-V69 WeakPolarHBondContact CA-O 3.48Å; G66-V69 PolarHBondContact N-O 2.85Å
67A98.1Very high97.4Very high45 Ų4568 Ų6837%0.37241%0.411SS..SBendtrans-63.1-38.4178.300000113.1R48R48-A67 PolarHBondContact NE-O 2.95Å
68Y97.9Very high97.4Very high111 Ų11166 Ų6644%0.43541%0.407SS..SBendtrans-128.2-6.7-174.1-48.9-68.5000114.4I28 S31 Q32 G66I28-Y68 HydrophobicContact CG2-CD1 3.39Å; I28-Y68 HydrophobicContact CG2-CD2 3.8Å; I28-Y68 HydrophobicContact CG2-CE1 3.73Å; I28-Y68 HydrophobicContact CG2-CE2 4.11Å; I28-Y68 HydrophobicContact CG2-CG 3.43Å; I28-Y68 VanDerWaalsContact CG2-CG 3.43Å; S31-Y68 CarbonylContact C-O 3.18Å; S31-Y68 WeakPolarHBondContact CB-O 3.48Å; S31-Y68 PolarHBondContact OG-O 3.34Å; Q32-Y68 WeakPolarHBondContact CA-O 3.21Å; Q32-Y68 HydrophobicContact CB-CD1 4.33Å; Q32-Y68 PolarHBondContact N-O 2.98Å; Q32-Y68 VanDerWaalsContact N-O 3.14Å; G66-Y68 VanDerWaalsContact C-N 3.35Å; G66-Y68 PolarHBondContact O-N 3.46Å
69V97.2Very high97.4Very high50 Ų5070.3 Ų70.330%0.30341%0.412SS..SBendtrans-136143.8176.3-70.50000108.4G66 S71 T72G66-V69 CarbonylContact C-O 3.56Å; G66-V69 WeakPolarHBondContact CA-O 3.48Å; G66-V69 PolarHBondContact N-O 2.85Å; V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3.35Å; V69-T72 HydrophobicContact CG2-CG2 4.19Å
70C95.7Very high97.3Very high30 Ų3070.6 Ų70.620%0.20342%0.418CS..SBendtrans-68.1-31-177.368.10000112.8Y36 L46 W54 G65Y36-C70 HydrophobicContact CD2-CB 4.31Å; Y36-C70 HydrophobicContact CG-CB 4.31Å; Y36-C70 VanDerWaalsContact CG-SG 3.59Å; L46-C70 HydrophobicContact CD2-CB 3.96Å; W54-C70 HydrophobicContact CD2-CB 3.73Å; W54-C70 HydrophobicContact CE3-CB 3.86Å; W54-C70 HydrophobicContact CG-CB 4.16Å; W54-C70 HydrophobicContact CZ2-CB 4.41Å; W54-C70 HydrophobicContact CZ3-CB 4.25Å; G65-C70 WeakPolarHBondContact CA-O 3.41Å
71S95.3Very high97.3Very high49 Ų4965.6 Ų65.634%0.34340%0.403SS..SBendtrans-126.7121.6175.5-1750000110.1V69 T76 R79V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3.35Å; S71-T76 PolarHBondContact OG-OG1 2.62Å; S71-T76 VanDerWaalsContact OG-OG1 3.08Å; S71-R79 PolarHBondContact OG-NH2 3.5Å
72T97.3Very high97.3Very high51 Ų5165.2 Ų65.231%0.31341%0.405SS..  trans-84153.7174.862.80000110.7V69 A74 A75 T76V69-T72 HydrophobicContact CG2-CG2 4.19Å; T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 3Å; T72-A75 PolarHBondContact O-N 3.06Å; T72-A75 WeakPolarHBondContact OG1-CB 3.17Å; T72-A75 PolarHBondContact OG1-N 3.22Å; T72-A75 VanDerWaalsContact OG1-N 3.14Å; T72-T76 PolarHBondContact O-N 3.12Å; T72-T76 PolarHBondContact O-OG1 3.02Å
73T96.9Very high97.2Very high119 Ų11969.1 Ų69.173%0.7341%0.411SS*.Hα-helixtrans-58.3-46.8175.6-500000110.9A75 T76 T77T73-A75 PolarHBondContact O-N 3.35Å; T73-T76 WeakPolarHBondContact O-CB 3.15Å; T73-T76 PolarHBondContact O-N 3.16Å; T73-T76 VanDerWaalsContact O-N 3.08Å; T73-T77 PolarHBondContact O-N 3.08Å
74A97.7Very high97.2Very high58 Ų5875.5 Ų75.548%0.47943%0.431SS..Hα-helixtrans-60.5-43.4177.600000112.8T72 T76 T77 I78T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 3Å; A74-T76 PolarHBondContact O-N 3.24Å; A74-T77 PolarHBondContact O-N 3.24Å; A74-T77 PolarHBondContact O-OG1 2.96Å; A74-I78 WeakPolarHBondContact O-CB 3.43Å; A74-I78 WeakPolarHBondContact O-CD1 3.12Å; A74-I78 VanDerWaalsContact O-CG1 3.24Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 2.76Å
75A97.2Very high97.2Very high30 Ų3076.9 Ų76.925%0.24842%0.424CS..Hα-helixtrans-64.5-32.6175.900000111.9T72 T73 R79T72-A75 PolarHBondContact O-N 3.06Å; T72-A75 WeakPolarHBondContact OG1-CB 3.17Å; T72-A75 PolarHBondContact OG1-N 3.22Å; T72-A75 VanDerWaalsContact OG1-N 3.14Å; T73-A75 PolarHBondContact O-N 3.35Å; A75-R79 WeakPolarHBondContact O-CG 3.44Å; A75-R79 PolarHBondContact O-N 3.01Å
76T96.3Very high97.3Very high67 Ų6782 Ų8241%0.41143%0.434SS..Hα-helixtrans-68.8-43.1177.5-52.60000111.5S71 T72 T73 A74 R79 A80S71-T76 PolarHBondContact OG-OG1 2.62Å; S71-T76 VanDerWaalsContact OG-OG1 3.08Å; T72-T76 PolarHBondContact O-N 3.12Å; T72-T76 PolarHBondContact O-OG1 3.02Å; T73-T76 WeakPolarHBondContact O-CB 3.15Å; T73-T76 PolarHBondContact O-N 3.16Å; T73-T76 VanDerWaalsContact O-N 3.08Å; A74-T76 PolarHBondContact O-N 3.24Å; T76-R79 PolarHBondContact OG1-NH2 3.05Å; T76-R79 VanDerWaalsContact OG1-NH2 3.11Å; T76-A80 PolarHBondContact O-N 3.48Å
77T97.8Very high97.2Very high84 Ų8484.9 Ų84.952%0.51545%0.448SS..Hα-helixtrans-66.6-41.4176.556.20000112T73 A74 A80 A81T73-T77 PolarHBondContact O-N 3.08Å; A74-T77 PolarHBondContact O-N 3.24Å; A74-T77 PolarHBondContact O-OG1 2.96Å; T77-A80 PolarHBondContact O-N 3.27Å; T77-A81 PolarHBondContact O-N 3.02Å
78I97.8Very high97.1Very high95 Ų9585.8 Ų85.849%0.48746%0.455SS..Hα-helixtrans-62.3-44.8177.5-69166.6000111A74 A80 A81 I82A74-I78 WeakPolarHBondContact O-CB 3.43Å; A74-I78 WeakPolarHBondContact O-CD1 3.12Å; A74-I78 VanDerWaalsContact O-CG1 3.24Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 2.76Å; I78-A80 VanDerWaalsContact C-N 3.28Å; I78-A80 PolarHBondContact O-N 3.48Å; I78-A81 PolarHBondContact O-N 2.93Å; I78-A81 VanDerWaalsContact O-N 3.1Å; I78-I82 HydrophobicContact CG2-CD1 3.64Å; I78-I82 HydrophobicContact CG2-CG1 4.2Å; I78-I82 WeakPolarHBondContact O-CG1 3.32Å; I78-I82 PolarHBondContact O-N 3.12Å
79R96.5Very high97Very high136 Ų13688.3 Ų88.351%0.51347%0.471SS..Hα-helixtrans-57.8-40.7175.8-77.9-174-63.3-104.91.6112.4S71 A75 T76 R83S71-R79 PolarHBondContact OG-NH2 3.5Å; A75-R79 WeakPolarHBondContact O-CG 3.44Å; A75-R79 PolarHBondContact O-N 3.01Å; T76-R79 PolarHBondContact OG1-NH2 3.05Å; T76-R79 VanDerWaalsContact OG1-NH2 3.11Å; R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 3.49Å; R79-R83 VanDerWaalsContact O-N 3.09Å
80A97.1Very high96.9Very high50 Ų5092.5 Ų92.541%0.41349%0.487SS..Hα-helixtrans-69.9-33.4176.800000112.8T76 T77 I78 R84T76-A80 PolarHBondContact O-N 3.48Å; T77-A80 PolarHBondContact O-N 3.27Å; I78-A80 VanDerWaalsContact C-N 3.28Å; I78-A80 PolarHBondContact O-N 3.48Å; A80-R84 WeakPolarHBondContact O-CG 3.27Å; A80-R84 PolarHBondContact O-N 3.16Å; A80-R84 PolarHBondContact O-NE 3.31Å
81A97.8Very high96.1Very high34 Ų3497.7 Ų97.728%0.28152%0.524SS..Hα-helixtrans-69.2-48.2174.700000111.8T77 I78 R83 R84 L85T77-A81 PolarHBondContact O-N 3.02Å; I78-A81 PolarHBondContact O-N 2.93Å; I78-A81 VanDerWaalsContact O-N 3.1Å; A81-R83 VanDerWaalsContact C-N 3.3Å; A81-R83 PolarHBondContact O-N 3.47Å; A81-R84 PolarHBondContact O-N 3.24Å; A81-L85 WeakPolarHBondContact O-CG 3.44Å; A81-L85 PolarHBondContact O-N 2.93Å
82I97.9Very high96.2Very high106 Ų106100.2 Ų100.254%0.54453%0.533SS..Hα-helixtrans-58.6-43.7177.9-67.6170.4000110.8I78 R84 L85 R86I78-I82 HydrophobicContact CG2-CD1 3.64Å; I78-I82 HydrophobicContact CG2-CG1 4.2Å; I78-I82 WeakPolarHBondContact O-CG1 3.32Å; I78-I82 PolarHBondContact O-N 3.12Å; I82-R84 PolarHBondContact O-N 2.99Å; I82-L85 PolarHBondContact O-N 2.73Å; I82-R86 PolarHBondContact O-N 3.27Å
83R97.3Very high96.1Very high164 Ų164102.7 Ų102.762%0.61954%0.544SS*.Hα-helixtrans-56.5-50.2176.2-179.3179.5173-178.70.8111.6R79 A81 L85 R86 D87R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 3.49Å; R79-R83 VanDerWaalsContact O-N 3.09Å; A81-R83 VanDerWaalsContact C-N 3.3Å; A81-R83 PolarHBondContact O-N 3.47Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 2.67Å; R83-R86 PolarHBondContact O-N 3.14Å; R83-D87 IonicContact NE-OD2 3.78Å; R83-D87 PolarHBondContact O-N 3.05Å
84R97.5Very high96.1Very high171 Ų171101.8 Ų101.865%0.64553%0.534SS*.Hα-helixtrans-60.4-41.1179.4-75.2-178.8-72.8148.8-4.9112.8A80 A81 I82 D87 A88A80-R84 WeakPolarHBondContact O-CG 3.27Å; A80-R84 PolarHBondContact O-N 3.16Å; A80-R84 PolarHBondContact O-NE 3.31Å; A81-R84 PolarHBondContact O-N 3.24Å; I82-R84 PolarHBondContact O-N 2.99Å; R84-D87 PolarHBondContact O-N 3.33Å; R84-A88 WeakPolarHBondContact O-CB 3.35Å; R84-A88 PolarHBondContact O-N 3.47Å; R84-A88 VanDerWaalsContact O-N 3.09Å
85L97.6Very high96Very high128 Ų128104.4 Ų104.467%0.6754%0.537SS*.Hα-helixtrans-66.6-38.1178.6-69.8173.1000112.2A81 I82 R83 H89A81-L85 WeakPolarHBondContact O-CG 3.44Å; A81-L85 PolarHBondContact O-N 2.93Å; I82-L85 PolarHBondContact O-N 2.73Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 2.67Å; L85-H89 PolarHBondContact O-N 3Å
86R97.7Very high95.9Very high137 Ų137109.1 Ų109.152%0.51756%0.555SS.*Hα-helixtrans-66.3-47.9175.2-175.3-171.763.7-179.54.6111.2I82 R83 A88 H89 E90I82-R86 PolarHBondContact O-N 3.27Å; R83-R86 PolarHBondContact O-N 3.14Å; R86-A88 PolarHBondContact O-N 3.42Å; R86-H89 PolarHBondContact O-N 3.48Å; R86-E90 WeakPolarHBondContact CD-OE1 3.37Å; R86-E90 HydrophobicContact CG-CG 4.46Å; R86-E90 WeakPolarHBondContact CG-OE1 3.45Å; R86-E90 PolarHBondContact O-N 3.14Å; R86-E90 VanDerWaalsContact O-N 3.08Å
87D96.9Very high95.9Very high67 Ų67111.9 Ų111.936%0.35857%0.565SS.*Hα-helixtrans-61.3-31.7-179.2-60.1-8.6000111.2R83 R84 S91R83-D87 IonicContact NE-OD2 3.78Å; R83-D87 PolarHBondContact O-N 3.05Å; R84-D87 PolarHBondContact O-N 3.33Å; D87-S91 PolarHBondContact O-N 3.4Å; D87-S91 PolarHBondContact O-OG 3.09Å
88A96.6Very high95.7Very high64 Ų64113.9 Ų113.953%0.52957%0.569SS.*Hα-helixtrans-79.5-17.6174.800000114.8R84 R86 S91R84-A88 WeakPolarHBondContact O-CB 3.35Å; R84-A88 PolarHBondContact O-N 3.47Å; R84-A88 VanDerWaalsContact O-N 3.09Å; R86-A88 PolarHBondContact O-N 3.42Å; A88-S91 WeakPolarHBondContact CA-OG 3.2Å; A88-S91 PolarHBondContact O-OG 3.15Å
89H96Very high95.6Very high164 Ų164115.3 Ų115.376%0.75958%0.575SS**Hα-helixtrans-86.6-30.2175.2176.963.8000112L85 R86L85-H89 PolarHBondContact O-N 3Å; R86-H89 PolarHBondContact O-N 3.48Å
90E93.8Very high95.5Very high138 Ų138113.6 Ų113.665%0.64558%0.58SS**Hα-helixtrans-82.1-17.8179.1-68.2172.5-179.900112.9R86R86-E90 WeakPolarHBondContact CD-OE1 3.37Å; R86-E90 HydrophobicContact CG-CG 4.46Å; R86-E90 WeakPolarHBondContact CG-OE1 3.45Å; R86-E90 PolarHBondContact O-N 3.14Å; R86-E90 VanDerWaalsContact O-N 3.08Å
91S79.9Confident95.3Very high140 Ų140119.4 Ų119.498%0.97960%0.595SS**  trans-85.20172.963.20000112.4D87 A88D87-S91 PolarHBondContact O-N 3.4Å; D87-S91 PolarHBondContact O-OG 3.09Å; A88-S91 WeakPolarHBondContact CA-OG 3.2Å; A88-S91 PolarHBondContact O-OG 3.15Å

Retrieved 91 of 91 residues in 17.2 ms (Link to these results)

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