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Retinoic acid receptor responder protein 2

Adipocyte-secreted protein (adipokine) that regulates adipogenesis, metabolism and inflammation through activation of the chemokine-like receptor 1 (CMKLR1). Also acts as a ligand for CMKLR2. Can also bind to C-C chemokine receptor-like 2 (CCRL2), but with a lower affinity than it does to CMKLR1 or CMKLR21. Positively regulates adipocyte differentiation, modulates the expression of adipocyte genes involved in lipid and glucose metabolism and might play a role in angiogenesis, a process essential for the expansion of white adipose tissue. Also acts as a pro-inflammatory adipokine, causing an increase in secretion of pro-inflammatory and prodiabetic adipokines, which further impair adipose tissue metabolic function and have negative systemic effects including impaired insulin sensitivity, altered glucose and lipid metabolism, and a decrease in vascular function in other tissues. Can have both pro- and anti-inflammatory properties depending on the modality of enzymatic cleavage by different classes of proteases. Acts as a chemotactic factor for leukocyte populations expressing CMKLR1, particularly immature plasmacytoid dendritic cells, but also immature myeloid DCs, macrophages and natural killer cells. Exerts an anti-inflammatory role by preventing TNF/TNFA-induced VCAM1 expression and monocytes adhesion in vascular endothelial cells. The effect is mediated via inhibiting activation of NF-kappa-B and CRK/p38 through stimulation of AKT1/NOS3 signaling and nitric oxide production. Its dual role in inflammation and metabolism might provide a link between chronic inflammation and obesity, as well as obesity-related disorders such as type 2 diabetes and cardiovascular disease. Exhibits an antimicrobial function in the skin.

AlphaFold DB , UniProt , Accession Q99969, Species HUMAN (Homo sapiens, Human), Gene RARRES2, Length 163 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
1M48.5Very low61.3Low252 Ų252170 Ų170100%1.24182%0.823SS**  0100.90-69.2-179.8-90.600108.8
2R53.5Low61.2Low241 Ų241168.8 Ų168.891%0.90982%0.822SS**  trans-138108.3-172.3-145.1178-172.8-173.41.5110.9
3R59.2Low60.8Low215 Ų215160.9 Ų160.981%0.81181%0.812SS**  trans34.7110.5150.2-59.5-174176.6-148.2-1.6119.2
4L67.7Low60.4Low168 Ų168156.6 Ų156.688%0.8881%0.813SS**  trans-102106.3152.9-87.8148.6000107.9
5L65.9Low60Low147 Ų147154.9 Ų154.977%0.7781%0.812SS**  trans-91112.4169.1-72169.5000106.8P7L5-P7 VanDerWaalsContact O-CD 3.25Å; L5-P7 WeakPolarHBondContact O-CD 3.25Å
6I65.3Low59.3Low138 Ų138149.1 Ų149.171%0.70880%0.801SS**  trans-99.2104171.7-59.8167000106.5L8I6-L8 HydrophobicContact CG2-CD1 4.42Å; I6-L8 PolarHBondContact O-N 3.17Å
7P62.7Low58.8Low119 Ų119148.1 Ų148.177%0.77380%0.801SS**  trans-72.9107.4170.428.1-30.3000108.9L5 A9L5-P7 VanDerWaalsContact O-CD 3.25Å; L5-P7 WeakPolarHBondContact O-CD 3.25Å; P7-A9 PolarHBondContact O-N 3.21Å; P7-A9 VanDerWaalsContact O-N 3.08Å
8L62.2Low58.3Low143 Ų143143.4 Ų143.475%0.74979%0.793SS**  trans-70.796.4165.8-110.190.4000108.2I6 L10I6-L8 HydrophobicContact CG2-CD1 4.42Å; I6-L8 PolarHBondContact O-N 3.17Å; L8-L10 HydrophobicContact CD2-CD1 4.13Å; L8-L10 PolarHBondContact O-N 3.14Å; L8-L10 VanDerWaalsContact O-N 3.17Å
9A65.5Low58.1Low72 Ų72142.4 Ų142.460%0.59579%0.791SS**  trans-74.697.9165.800000108.3P7 W11P7-A9 PolarHBondContact O-N 3.21Å; P7-A9 VanDerWaalsContact O-N 3.08Å; A9-W11 PolarHBondContact O-N 3.02Å; A9-W11 VanDerWaalsContact O-N 3.12Å
10L60.8Low58.5Low136 Ų136139.7 Ų139.771%0.71279%0.788SS**  trans-72.696.8166.3-101.891000108.4L8 L12L8-L10 HydrophobicContact CD2-CD1 4.13Å; L8-L10 PolarHBondContact O-N 3.14Å; L8-L10 VanDerWaalsContact O-N 3.17Å; L10-L12 PolarHBondContact O-N 3.08Å; L10-L12 VanDerWaalsContact O-N 3.14Å
11W62.8Low59.9Low239 Ų239141.4 Ų141.491%0.90579%0.79SS**  trans-77.590.8167.9-73.273.5000108.7A9 G13A9-W11 PolarHBondContact O-N 3.02Å; A9-W11 VanDerWaalsContact O-N 3.12Å; W11-G13 VanDerWaalsContact C-N 3.28Å; W11-G13 PolarHBondContact O-N 3.12Å
12L60.3Low62.1Low156 Ų156131 Ų13182%0.81774%0.739SS**  trans-73.385.5166.3-84151.9000108.4L10 A14L10-L12 PolarHBondContact O-N 3.08Å; L10-L12 VanDerWaalsContact O-N 3.14Å; L12-A14 PolarHBondContact O-N 3.41Å
13G56.3Low64Low66 Ų66122.3 Ų122.368%0.6871%0.713SS**  trans-6795.3166.900000109.2W11 V15W11-G13 VanDerWaalsContact C-N 3.28Å; W11-G13 PolarHBondContact O-N 3.12Å; G13-V15 PolarHBondContact O-N 2.95Å
14A55.5Low65.7Low101 Ų101118.8 Ų118.884%0.83571%0.705SS**  trans-66.790.1163.200000107.2L12 G16L12-A14 PolarHBondContact O-N 3.41Å; A14-G16 PolarHBondContact O-N 3.47Å
15V53.4Low67.1Low131 Ų131111.4 Ų111.479%0.79467%0.669SS**  trans-66.888.7164179.50000105.1G13 V17G13-V15 PolarHBondContact O-N 2.95Å; V15-V17 PolarHBondContact O-N 2.95Å
16G49.1Very low68.6Low62 Ų62105.4 Ų105.464%0.63964%0.637SS**  trans-52.5113.2163.100000105.7A14 G18A14-G16 PolarHBondContact O-N 3.47Å; G16-G18 PolarHBondContact O-N 2.9Å
17V50.5Low70.2Confident131 Ų131103.8 Ų103.879%0.79462%0.622SS**  trans-6582.3166.8179.70000104.3V15 V19V15-V17 PolarHBondContact O-N 2.95Å; V17-V19 VanDerWaalsContact C-N 3.32Å; V17-V19 PolarHBondContact O-N 3.38Å
18G49.6Very low71.8Confident65 Ų65101.7 Ų101.767%0.6760%0.599SS**  trans-60.9103.7174.200000105.1G16 A20G16-G18 PolarHBondContact O-N 2.9Å; G18-A20 PolarHBondContact O-N 2.82Å
19V54.4Low73.5Confident123 Ų12394.9 Ų94.975%0.74556%0.563SS**  trans-54.7104160177.60000103.3V17 E21V17-V19 VanDerWaalsContact C-N 3.32Å; V17-V19 PolarHBondContact O-N 3.38Å; V19-E21 PolarHBondContact O-N 3.12Å
20A66.7Low75.1Confident89 Ų8992.2 Ų92.274%0.73654%0.539SS*.  trans-57.1106.2-178.100000106.5G18 L22G18-A20 PolarHBondContact O-N 2.82Å; A20-L22 PolarHBondContact O-N 2.76Å
21E87.2Confident76.9Confident175 Ų17590 Ų9082%0.81852%0.524SS*.PPolyproline II helixtrans-66.7126-176.8-69.7-171.5160.300107.9V19V19-E21 PolarHBondContact O-N 3.12Å
22L94.5Very high78.5Confident33 Ų3378.9 Ų78.917%0.17348%0.483CS..PPolyproline II helixtrans-62.1139.3174.8-63.5-179.4000109.7A20 Q26 R27 L30 V52 A55A20-L22 PolarHBondContact O-N 2.76Å; L22-Q26 HydrophobicContact CB-CB 3.9Å; L22-Q26 HydrophobicContact CD2-CB 4.17Å; L22-Q26 HydrophobicContact CG-CB 4.45Å; L22-R27 PolarHBondContact O-NH2 2.84Å; L22-L30 HydrophobicContact CD1-CD2 3.95Å; L22-V52 HydrophobicContact CD1-CG2 4.19Å; L22-V52 HydrophobicContact CD2-CB 4.47Å; L22-V52 HydrophobicContact CD2-CG1 4.11Å; L22-A55 HydrophobicContact CD2-CB 3.86Å
23T95Very high80.3Confident59 Ų5971.5 Ų71.536%0.36244%0.444SS..PPolyproline II helixtrans-60.9163168.6740000110.3A25 Q26 R27 D57T23-A25 VanDerWaalsContact C-N 3.27Å; T23-A25 PolarHBondContact O-N 3.26Å; T23-Q26 PolarHBondContact O-N 3.29Å; T23-Q26 VanDerWaalsContact O-N 3.17Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.17Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 3.46Å; T23-Q26 VanDerWaalsContact OG1-N 3.08Å; T23-R27 WeakPolarHBondContact O-CB 3.25Å; T23-R27 PolarHBondContact O-N 2.85Å; T23-D57 PolarHBondContact OG1-OD2 3.16Å
24E95.1Very high82.3Confident141 Ų14169.6 Ų69.666%0.65942%0.418SS*.Hα-helixtrans-59.5-39.1176-69.3-54.9121.900112.2R27 R28E24-R27 PolarHBondContact O-N 3Å; E24-R27 IonicContact OE1-NE 2.73Å; E24-R28 VanDerWaalsContact O-CB 3.27Å; E24-R28 WeakPolarHBondContact O-CB 3.39Å; E24-R28 PolarHBondContact O-N 2.9Å
25A96.5Very high84.2Confident14 Ų1467.5 Ų67.512%0.11639%0.391CS..Hα-helixtrans-63.4-43.2175.100000111.8T23 R28 G29 I64 V66 L104T23-A25 VanDerWaalsContact C-N 3.27Å; T23-A25 PolarHBondContact O-N 3.26Å; A25-R28 PolarHBondContact O-N 2.83Å; A25-G29 PolarHBondContact O-N 2.89Å; A25-I64 HydrophobicContact CB-CD1 4.27Å; A25-I64 HydrophobicContact CB-CG2 4.32Å; A25-V66 HydrophobicContact CB-CG2 4.03Å; A25-L104 HydrophobicContact CB-CD1 4.24Å
26Q97.9Very high86.1Confident21 Ų2163.2 Ų63.210%0.09836%0.363CS..Hα-helixtrans-64.8-44.3176.6-69.5167.3-2.500111.9L22 T23 R28 G29 L30 A55 D57 V66 L68L22-Q26 HydrophobicContact CB-CB 3.9Å; L22-Q26 HydrophobicContact CD2-CB 4.17Å; L22-Q26 HydrophobicContact CG-CB 4.45Å; T23-Q26 PolarHBondContact O-N 3.29Å; T23-Q26 VanDerWaalsContact O-N 3.17Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.17Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 3.46Å; T23-Q26 VanDerWaalsContact OG1-N 3.08Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.71Å; Q26-G29 PolarHBondContact O-N 2.98Å; Q26-L30 WeakPolarHBondContact O-CB 2.88Å; Q26-L30 PolarHBondContact O-N 3.22Å; Q26-A55 HydrophobicContact CG-CB 4.02Å; Q26-A55 PolarHBondContact NE2-O 3.47Å; Q26-D57 WeakPolarHBondContact CG-OD1 3.25Å; Q26-D57 PolarHBondContact NE2-OD1 2.02Å; Q26-D57 PolarHBondContact NE2-OD2 3.15Å; Q26-V66 HydrophobicContact CG-CG1 4.14Å; Q26-L68 HydrophobicContact CB-CD2 4.28Å; Q26-L68 HydrophobicContact CG-CD2 4.33Å
27R97.5Very high88.3Confident103 Ų10360.7 Ų60.739%0.38933%0.334SS..Hα-helixtrans-60.9-44.4176.4-170.7-176.2-55.6-74.9-6.6110.7L22 T23 E24 L30 Q31L22-R27 PolarHBondContact O-NH2 2.84Å; T23-R27 WeakPolarHBondContact O-CB 3.25Å; T23-R27 PolarHBondContact O-N 2.85Å; E24-R27 PolarHBondContact O-N 3Å; E24-R27 IonicContact OE1-NE 2.73Å; R27-L30 PolarHBondContact O-N 2.89Å; R27-Q31 WeakPolarHBondContact O-CG 3.31Å; R27-Q31 PolarHBondContact O-N 3.23Å
28R97.7Very high90.4Very high76 Ų7654.8 Ų54.829%0.28730%0.298SS..Hα-helixtrans-63.3-45.1175.1-179.258.4179.3159.3-0.7111.7E24 A25 Q26 L30 Q31 V32 L104 D108E24-R28 VanDerWaalsContact O-CB 3.27Å; E24-R28 WeakPolarHBondContact O-CB 3.39Å; E24-R28 PolarHBondContact O-N 2.9Å; A25-R28 PolarHBondContact O-N 2.83Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.71Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3Å; R28-Q31 WeakPolarHBondContact O-CB 3.47Å; R28-Q31 PolarHBondContact O-N 3.42Å; R28-V32 WeakPolarHBondContact O-CG2 3.31Å; R28-V32 PolarHBondContact O-N 2.7Å; R28-L104 HydrophobicContact CB-CD1 4.11Å; R28-L104 HydrophobicContact CG-CD1 3.96Å; R28-L104 HydrophobicContact CG-CD2 4.1Å; R28-D108 HydrophobicContact CG-CB 4.19Å
29G98.2Very high92.4Very high0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-57-43.9174.600000112.3A25 Q26 V32 A33 I102A25-G29 PolarHBondContact O-N 2.89Å; Q26-G29 PolarHBondContact O-N 2.98Å; G29-V32 PolarHBondContact O-N 3.08Å; G29-A33 WeakPolarHBondContact O-CB 3Å; G29-A33 PolarHBondContact O-N 3.17Å; G29-I102 WeakPolarHBondContact O-CD1 3.32Å
30L98.3Very high93.7Very high16 Ų1655.6 Ų55.68%0.08427%0.274CS..Hα-helixtrans-64.8-41.5177.4-178.561.3000111.9L22 Q26 R27 R28 A33 L34 E49 V52 L68 F70L22-L30 HydrophobicContact CD1-CD2 3.95Å; Q26-L30 WeakPolarHBondContact O-CB 2.88Å; Q26-L30 PolarHBondContact O-N 3.22Å; R27-L30 PolarHBondContact O-N 2.89Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3Å; L30-A33 PolarHBondContact O-N 3.12Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 HydrophobicContact CG-CD1 4.27Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 2.87Å; L30-E49 HydrophobicContact CD1-CG 4.29Å; L30-E49 HydrophobicContact CD2-CG 4.15Å; L30-V52 HydrophobicContact CD2-CG2 4.27Å; L30-L68 HydrophobicContact CB-CD1 3.93Å; L30-F70 HydrophobicContact CD1-CD1 4.13Å; L30-F70 HydrophobicContact CD1-CD2 3.92Å; L30-F70 HydrophobicContact CD1-CE1 4.28Å; L30-F70 HydrophobicContact CD1-CE2 4.08Å; L30-F70 HydrophobicContact CD1-CG 3.95Å; L30-F70 HydrophobicContact CD1-CZ 4.26Å
31Q97.6Very high94Very high88 Ų8856.1 Ų56.141%0.41127%0.27SS..Hα-helixtrans-60-47.2174.2-71.7172.92.900111.6R27 R28 A33 L34 E35R27-Q31 WeakPolarHBondContact O-CG 3.31Å; R27-Q31 PolarHBondContact O-N 3.23Å; R28-Q31 WeakPolarHBondContact O-CB 3.47Å; R28-Q31 PolarHBondContact O-N 3.42Å; Q31-A33 VanDerWaalsContact C-N 3.27Å; Q31-A33 PolarHBondContact O-N 2.92Å; Q31-L34 PolarHBondContact O-N 2.62Å; Q31-E35 WeakPolarHBondContact O-CB 3.24Å; Q31-E35 WeakPolarHBondContact O-CG 3.3Å; Q31-E35 PolarHBondContact O-N 2.9Å
32V98.2Very high93.6Very high7 Ų753.3 Ų53.34%0.04227%0.267CS..Hα-helixtrans-58.9-42.5176.1172.50000110.3R28 G29 E35 E36 I102 V110R28-V32 WeakPolarHBondContact O-CG2 3.31Å; R28-V32 PolarHBondContact O-N 2.7Å; G29-V32 PolarHBondContact O-N 3.08Å; V32-E35 PolarHBondContact O-N 3.14Å; V32-E36 WeakPolarHBondContact O-CB 3.41Å; V32-E36 PolarHBondContact O-N 3.34Å; V32-I102 HydrophobicContact CG1-CG1 4.36Å; V32-I102 HydrophobicContact CG1-CG2 4.35Å; V32-V110 HydrophobicContact CG1-CG1 4.4Å; V32-V110 HydrophobicContact CG1-CG2 4.09Å; V32-V110 HydrophobicContact CG2-CG2 3.64Å
33A97.9Very high93.1Very high0 Ų052.5 Ų52.50%026%0.263CS..Hα-helixtrans-63.9-44.1178.900000112.7G29 L30 Q31 E36 F37 F70 A100 V115G29-A33 WeakPolarHBondContact O-CB 3Å; G29-A33 PolarHBondContact O-N 3.17Å; L30-A33 PolarHBondContact O-N 3.12Å; Q31-A33 VanDerWaalsContact C-N 3.27Å; Q31-A33 PolarHBondContact O-N 2.92Å; A33-E36 PolarHBondContact O-N 2.96Å; A33-F37 WeakPolarHBondContact O-CB 3.42Å; A33-F37 PolarHBondContact O-N 3.13Å; A33-F70 HydrophobicContact CB-CE1 4.05Å; A33-F70 HydrophobicContact CB-CZ 3.78Å; A33-A100 HydrophobicContact CB-CB 3.69Å; A33-V115 HydrophobicContact CB-CG2 4.07Å
34L96.8Very high92.9Very high26 Ų2655.4 Ų55.414%0.13627%0.273CS..Hα-helixtrans-64.8-41176.4-73.6171.6000112.1L30 Q31 H38 L72 W82L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 HydrophobicContact CG-CD1 4.27Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 2.87Å; Q31-L34 PolarHBondContact O-N 2.62Å; L34-H38 WeakPolarHBondContact O-CB 3.13Å; L34-H38 PolarHBondContact O-N 3.06Å; L34-H38 PolarHBondContact O-ND1 2.91Å; L34-L72 HydrophobicContact CD2-CD1 4.38Å; L34-L72 HydrophobicContact CD2-CD2 3.54Å; L34-W82 HydrophobicContact CB-CH2 3.93Å; L34-W82 HydrophobicContact CB-CZ3 3.83Å; L34-W82 HydrophobicContact CD1-CZ3 4.42Å
35E95.5Very high92.8Very high57 Ų5752 Ų5227%0.26625%0.254SS..Hα-helixtrans-62.3-45.1175.3-75.7-175.1165.600111.6Q31 V32 H38 K39 W82 K83Q31-E35 WeakPolarHBondContact O-CB 3.24Å; Q31-E35 WeakPolarHBondContact O-CG 3.3Å; Q31-E35 PolarHBondContact O-N 2.9Å; V32-E35 PolarHBondContact O-N 3.14Å; E35-H38 CarbonylContact O-C 3.6Å; E35-H38 PolarHBondContact O-N 2.88Å; E35-K39 VanDerWaalsContact O-CG 3.29Å; E35-K39 WeakPolarHBondContact O-CG 3.46Å; E35-K39 PolarHBondContact O-N 2.85Å; E35-W82 HydrophobicContact CB-CZ2 4.45Å; E35-W82 HydrophobicContact CG-CH2 3.84Å; E35-W82 HydrophobicContact CG-CZ2 3.73Å; E35-K83 IonicContact OE1-NZ 2.94Å; E35-K83 PolarHBondContact OE1-NZ 2.89Å
36E94.9Very high92.8Very high41 Ų4151.4 Ų51.419%0.19225%0.249CC..Hα-helixtrans-65.8-46.5178.9-160.765.3-167.300111.5V32 A33 H38 K39 H40 R113 V115V32-E36 WeakPolarHBondContact O-CB 3.41Å; V32-E36 PolarHBondContact O-N 3.34Å; A33-E36 PolarHBondContact O-N 2.96Å; E36-H38 VanDerWaalsContact C-N 3.27Å; E36-H38 PolarHBondContact O-N 2.79Å; E36-K39 WeakPolarHBondContact O-CB 3.05Å; E36-K39 PolarHBondContact O-N 2.86Å; E36-K39 IonicContact OE2-NZ 2.78Å; E36-K39 PolarHBondContact OE2-NZ 2.77Å; E36-H40 PolarHBondContact O-CD2 2.85Å; E36-H40 PolarHBondContact O-N 2.82Å; E36-R113 IonicContact OE2-NE 3.92Å; E36-R113 PolarHBondContact OE2-NE 3.44Å; E36-V115 HydrophobicContact CB-CB 4.34Å; E36-V115 HydrophobicContact CB-CG2 3.87Å; E36-V115 HydrophobicContact CG-CB 4.34Å; E36-V115 HydrophobicContact CG-CG2 4.13Å
37F94.3Very high92.7Very high9 Ų950.9 Ų50.94%0.03925%0.246CC..Hα-helixtrans-53.8-46.5175.2177.9-96.4000111.6A33 K39 H40 V43 F47 L72 R96 C117A33-F37 WeakPolarHBondContact O-CB 3.42Å; A33-F37 PolarHBondContact O-N 3.13Å; F37-K39 VanDerWaalsContact C-N 3.31Å; F37-K39 PolarHBondContact O-N 3.32Å; F37-H40 PolarHBondContact O-N 2.84Å; F37-V43 HydrophobicContact CE1-CG1 3.92Å; F37-V43 HydrophobicContact CE1-CG2 4.03Å; F37-V43 HydrophobicContact CE2-CG2 4.13Å; F37-V43 HydrophobicContact CZ-CG1 4.26Å; F37-V43 HydrophobicContact CZ-CG2 3.7Å; F37-F47 HydrophobicContact CD1-CB 4.5Å; F37-F47 HydrophobicContact CE1-CB 3.75Å; F37-F47 HydrophobicContact CE1-CD1 4.44Å; F37-F47 AromaticContact CE1-CD2 3.69Å; F37-F47 HydrophobicContact CE1-CD2 3.69Å; F37-F47 HydrophobicContact CE1-CE2 4.45Å; F37-F47 AromaticContact CE1-CG 3.71Å; F37-F47 HydrophobicContact CE1-CG 3.71Å; F37-F47 HydrophobicContact CZ-CB 4.45Å; F37-F47 HydrophobicContact CZ-CD1 4.35Å; F37-F47 HydrophobicContact CZ-CD2 4.04Å; F37-F47 HydrophobicContact CZ-CE2 4.42Å; F37-F47 HydrophobicContact CZ-CG 4.03Å; F37-L72 HydrophobicContact CD1-CD1 3.75Å; F37-L72 HydrophobicContact CD2-CD1 4.02Å; F37-L72 HydrophobicContact CE1-CD1 3.88Å; F37-L72 HydrophobicContact CE2-CD1 4.12Å; F37-L72 HydrophobicContact CG-CD1 3.82Å; F37-L72 HydrophobicContact CZ-CD1 4.05Å; F37-R96 HydrophobicContact CZ-CG 4.49Å; F37-C117 HydrophobicContact CD2-CB 3.61Å; F37-C117 VanDerWaalsContact CD2-SG 3.52Å; F37-C117 HydrophobicContact CE2-CB 3.56Å
38H94.8Very high92.6Very high7 Ų750.6 Ų50.63%0.03225%0.249CC..Hα-helixtrans-78.9-6.8178.9-68.397.7000113.7L34 E35 E36 F47 K79 W82L34-H38 WeakPolarHBondContact O-CB 3.13Å; L34-H38 PolarHBondContact O-N 3.06Å; L34-H38 PolarHBondContact O-ND1 2.91Å; E35-H38 CarbonylContact O-C 3.6Å; E35-H38 PolarHBondContact O-N 2.88Å; E36-H38 VanDerWaalsContact C-N 3.27Å; E36-H38 PolarHBondContact O-N 2.79Å; H38-F47 PolarHBondContact CE1-O 3.38Å; H38-F47 PolarHBondContact NE2-N 2.74Å; H38-F47 PolarHBondContact NE2-O 3.28Å; H38-K79 WeakPolarHBondContact O-CD 3.06Å; H38-K79 WeakPolarHBondContact O-CE 3.37Å; H38-K79 PolarHBondContact O-NZ 2.88Å; H38-W82 HydrophobicContact CB-CD2 4.24Å; H38-W82 HydrophobicContact CB-CG 4.14Å; H38-W82 AromaticContact CD2-CG 3.75Å; H38-W82 AromaticContact CE1-CD2 3.98Å; H38-W82 AromaticContact CE1-CE3 3.92Å; H38-W82 AromaticContact CG-CD1 3.93Å; H38-W82 AromaticContact CG-CD2 3.81Å; H38-W82 AromaticContact CG-CG 3.69Å; H38-W82 AromaticContact ND1-CD2 3.63Å; H38-W82 AromaticContact ND1-CE3 3.79Å; H38-W82 AromaticContact ND1-CG 3.94Å
39K91.7Very high92.5Very high121 Ų12149.9 Ų49.953%0.52625%0.249SC..Hα-helixtrans-77.1-34.2167.4-76.8166.9-166.7166.80111.5E35 E36 F37 K79E35-K39 VanDerWaalsContact O-CG 3.29Å; E35-K39 WeakPolarHBondContact O-CG 3.46Å; E35-K39 PolarHBondContact O-N 2.85Å; E36-K39 WeakPolarHBondContact O-CB 3.05Å; E36-K39 PolarHBondContact O-N 2.86Å; E36-K39 IonicContact OE2-NZ 2.78Å; E36-K39 PolarHBondContact OE2-NZ 2.77Å; F37-K39 VanDerWaalsContact C-N 3.31Å; F37-K39 PolarHBondContact O-N 3.32Å; K39-K79 PolarHBondContact O-NZ 2.9Å
40H81.6Confident92.3Very high84 Ų8452.9 Ų52.939%0.38927%0.268SS..SBendtrans-59.4129.7-175.2-72.6-65.7000114.2E36 F37 P42 K79E36-H40 PolarHBondContact O-CD2 2.85Å; E36-H40 PolarHBondContact O-N 2.82Å; F37-H40 PolarHBondContact O-N 2.84Å; H40-P42 VanDerWaalsContact C-CD 3.4Å; H40-K79 PolarHBondContact O-NZ 3.32Å
41P72.9Confident92.1Very high101 Ų10154.1 Ų54.166%0.65628%0.278SS*.THydrogen-bonded Turntrans-57.5-35.9-176.4-25.933.3000117.8V43 Q44P41-V43 PolarHBondContact O-N 2.73Å; P41-V43 VanDerWaalsContact O-N 3.1Å; P41-Q44 PolarHBondContact O-NE2 3.25Å
42P79.7Confident92.1Very high115 Ų11552.1 Ų52.175%0.74727%0.272SS*.THydrogen-bonded Turntrans-62.8-21-174.6-26.936.4000114.9H40H40-P42 VanDerWaalsContact C-CD 3.4Å
43V82.9Confident92Very high16 Ų1655.8 Ų55.810%0.09729%0.288CS..  trans-88.4116.5-178.1179.50000109.1F37 P41 W45 F47 K79F37-V43 HydrophobicContact CE1-CG1 3.92Å; F37-V43 HydrophobicContact CE1-CG2 4.03Å; F37-V43 HydrophobicContact CE2-CG2 4.13Å; F37-V43 HydrophobicContact CZ-CG1 4.26Å; F37-V43 HydrophobicContact CZ-CG2 3.7Å; P41-V43 PolarHBondContact O-N 2.73Å; P41-V43 VanDerWaalsContact O-N 3.1Å; V43-W45 WeakPolarHBondContact CG1-O 3.39Å; V43-F47 HydrophobicContact CG1-CD2 3.84Å; V43-F47 HydrophobicContact CG1-CE2 3.8Å; V43-K79 WeakPolarHBondContact O-CD 3.49Å
44Q90.5Very high91.9Very high120 Ų12057.6 Ų57.656%0.56130%0.301SS*.  trans-101.3-15178.8-64.8-63.8-41.600113.4P41 K79P41-Q44 PolarHBondContact O-NE2 3.25Å; Q44-K79 PolarHBondContact O-N 3.24Å
45W94.3Very high91.9Very high70 Ų7057.8 Ų57.827%0.26531%0.306SS..EExtended strand (participates in β ladder)trans-112.9153.2-176.9-62.897.4000110V43 F47 Q74V43-W45 WeakPolarHBondContact CG1-O 3.39Å; W45-F47 HydrophobicContact CB-CE2 4.33Å; W45-F47 WeakPolarHBondContact O-CD2 3.25Å; W45-Q74 HydrophobicContact CB-CG 3.86Å; W45-Q74 HydrophobicContact CG-CG 4.31Å
46A95.6Very high92.1Very high1 Ų158.6 Ų58.61%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-74.5142.5170.500000109.9T75 C77 W82A46-T75 VanDerWaalsContact CB-OG1 3.24Å; A46-T75 WeakPolarHBondContact CB-OG1 3.35Å; A46-T75 PolarHBondContact O-N 3.48Å; A46-T75 PolarHBondContact O-OG1 3.4Å; A46-C77 HydrophobicContact CB-CB 3.97Å; A46-C77 PolarHBondContact N-O 2.84Å; A46-W82 VanDerWaalsContact CB-CA 3.47Å; A46-W82 HydrophobicContact CB-CB 3.45Å; A46-W82 VanDerWaalsContact CB-CB 3.45Å
47F95.8Very high92.2Very high11 Ų1159 Ų595%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-119.7147.2172.8-76.3-111.5000109F37 H38 V43 W45 L72 Q73 Q74 R94 R96F37-F47 HydrophobicContact CD1-CB 4.5Å; F37-F47 HydrophobicContact CE1-CB 3.75Å; F37-F47 HydrophobicContact CE1-CD1 4.44Å; F37-F47 AromaticContact CE1-CD2 3.69Å; F37-F47 HydrophobicContact CE1-CD2 3.69Å; F37-F47 HydrophobicContact CE1-CE2 4.45Å; F37-F47 AromaticContact CE1-CG 3.71Å; F37-F47 HydrophobicContact CE1-CG 3.71Å; F37-F47 HydrophobicContact CZ-CB 4.45Å; F37-F47 HydrophobicContact CZ-CD1 4.35Å; F37-F47 HydrophobicContact CZ-CD2 4.04Å; F37-F47 HydrophobicContact CZ-CE2 4.42Å; F37-F47 HydrophobicContact CZ-CG 4.03Å; H38-F47 PolarHBondContact CE1-O 3.38Å; H38-F47 PolarHBondContact NE2-N 2.74Å; H38-F47 PolarHBondContact NE2-O 3.28Å; V43-F47 HydrophobicContact CG1-CD2 3.84Å; V43-F47 HydrophobicContact CG1-CE2 3.8Å; W45-F47 HydrophobicContact CB-CE2 4.33Å; W45-F47 WeakPolarHBondContact O-CD2 3.25Å; F47-L72 HydrophobicContact CB-CB 4.1Å; F47-L72 HydrophobicContact CB-CD1 4.33Å; F47-L72 HydrophobicContact CD1-CB 4.07Å; F47-Q73 CarbonylContact C-O 3.6Å; F47-Q73 VanDerWaalsContact CA-O 3.3Å; F47-Q73 WeakPolarHBondContact CA-O 3.28Å; F47-Q73 VanDerWaalsContact CD1-C 3.5Å; F47-Q74 HydrophobicContact CD1-CB 4.25Å; F47-Q74 HydrophobicContact CE1-CB 3.85Å; F47-Q74 HydrophobicContact CE2-CB 4.28Å; F47-Q74 HydrophobicContact CE2-CG 4.34Å; F47-Q74 HydrophobicContact CZ-CB 3.86Å; F47-Q74 HydrophobicContact CZ-CG 4.29Å; F47-R94 HydrophobicContact CE1-CB 4.25Å; F47-R94 VanDerWaalsContact CE1-O 3.31Å; F47-R94 WeakPolarHBondContact CE1-O 3.37Å; F47-R94 HydrophobicContact CZ-CB 4.21Å; F47-R96 HydrophobicContact CD1-CG 4.3Å; F47-R96 HydrophobicContact CE1-CG 3.94Å
48Q95.7Very high92.3Very high96 Ų9660.9 Ų60.945%0.44933%0.33SS..EExtended strand (participates in β ladder)trans-119.3146.7176.2-167.6177.80.600109.6L72 Q73 T75 C87 V89Q48-L72 CarbonylContact O-C 3.6Å; Q48-L72 VanDerWaalsContact O-CA 3.28Å; Q48-L72 WeakPolarHBondContact O-CA 3.46Å; Q48-Q73 PolarHBondContact N-O 2.81Å; Q48-Q73 PolarHBondContact O-N 2.81Å; Q48-T75 HydrophobicContact CB-CG2 3.8Å; Q48-C87 PolarHBondContact OE1-O 2.97Å; Q48-V89 HydrophobicContact CB-CG2 3.77Å; Q48-V89 HydrophobicContact CG-CG2 4.42Å
49E95.2Very high92.4Very high61 Ų6165.6 Ų65.629%0.28536%0.362SS..EExtended strand (participates in β ladder)trans-64.6136.2168.5-178.5-84.9135.100110.2L30 S51 V52 F70 K71 L72L30-E49 HydrophobicContact CD1-CG 4.29Å; L30-E49 HydrophobicContact CD2-CG 4.15Å; E49-S51 WeakPolarHBondContact OE1-CA 2.9Å; E49-S51 PolarHBondContact OE1-N 3.03Å; E49-V52 HydrophobicContact CG-CG2 4.25Å; E49-V52 PolarHBondContact OE1-N 3.42Å; E49-F70 HydrophobicContact CG-CD2 4.47Å; E49-K71 WeakPolarHBondContact CA-O 3.25Å; E49-L72 HydrophobicContact CB-CD2 4.02Å
50T94.6Very high92.5Very high64 Ų6462.9 Ų62.939%0.39335%0.35SS..EExtended strand (participates in β ladder)trans-123.6-26.3-176.249.60000113K71 Q73 V89T50-K71 PolarHBondContact N-O 3.41Å; T50-K71 PolarHBondContact OG1-O 2.7Å; T50-Q73 HydrophobicContact CG2-CB 3.59Å; T50-V89 HydrophobicContact CG2-CG2 4.11Å
51S94.6Very high93Very high42 Ų4264.6 Ų64.629%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-158.7143.9169.764.90000110E49 F70 K71E49-S51 WeakPolarHBondContact OE1-CA 2.9Å; E49-S51 PolarHBondContact OE1-N 3.03Å; S51-F70 CarbonylContact O-C 3.59Å; S51-F70 VanDerWaalsContact O-CA 3.25Å; S51-F70 WeakPolarHBondContact O-CA 3.43Å; S51-F70 WeakPolarHBondContact O-CB 3.47Å; S51-K71 PolarHBondContact O-N 3.29Å; S51-K71 WeakPolarHBondContact OG-CB 3.33Å; S51-K71 WeakPolarHBondContact OG-CD 3.49Å
52V96.6Very high93.9Very high46 Ų4661.1 Ų61.128%0.27935%0.348SS..EExtended strand (participates in β ladder)trans-100.1114.7162.1-178.10000108L22 L30 E49 S54 A55 E69 F70L22-V52 HydrophobicContact CD1-CG2 4.19Å; L22-V52 HydrophobicContact CD2-CB 4.47Å; L22-V52 HydrophobicContact CD2-CG1 4.11Å; L30-V52 HydrophobicContact CD2-CG2 4.27Å; E49-V52 HydrophobicContact CG-CG2 4.25Å; E49-V52 PolarHBondContact OE1-N 3.42Å; V52-S54 WeakPolarHBondContact CG1-O 3.28Å; V52-A55 HydrophobicContact CG1-CB 4.03Å; V52-E69 CarbonylContact C-O 3.49Å; V52-F70 HydrophobicContact CB-CB 4.48Å; V52-F70 HydrophobicContact CG2-CB 4.1Å
53E95.5Very high94.7Very high84 Ų8456.4 Ų56.439%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-82.5-37.7-177.7-60.8-168144.400111.7E69 K71 K97E53-E69 HydrophobicContact CB-CB 4.4Å; E53-E69 PolarHBondContact N-O 3.44Å; E53-K71 WeakPolarHBondContact OE1-CE 3.45Å; E53-K71 IonicContact OE1-NZ 2.62Å; E53-K71 PolarHBondContact OE1-NZ 2.62Å; E53-K97 WeakPolarHBondContact OE2-CE 3.16Å; E53-K97 IonicContact OE2-NZ 3.5Å; E53-K97 PolarHBondContact OE2-NZ 3.38Å
54S96.3Very high95.4Very high37 Ų3758.8 Ų58.826%0.25933%0.333SS..EExtended strand (participates in β ladder)trans-146.8144.5172.669.30000110.9V52 L68 E69V52-S54 WeakPolarHBondContact CG1-O 3.28Å; S54-L68 WeakPolarHBondContact O-CA 3.17Å; S54-E69 PolarHBondContact N-O 3.17Å; S54-E69 VanDerWaalsContact N-O 3.16Å; S54-E69 PolarHBondContact O-N 2.73Å; S54-E69 WeakPolarHBondContact OG-CB 2.76Å
55A97.6Very high95.7Very high30 Ų3053.4 Ų53.425%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-144121.4173.800000108.5L22 Q26 V52 R67 L68L22-A55 HydrophobicContact CD2-CB 3.86Å; Q26-A55 HydrophobicContact CG-CB 4.02Å; Q26-A55 PolarHBondContact NE2-O 3.47Å; V52-A55 HydrophobicContact CG1-CB 4.03Å; A55-R67 WeakPolarHBondContact CA-O 3.36Å; A55-L68 HydrophobicContact CB-CD2 3.52Å
56V98.1Very high96Very high74 Ų7450.1 Ų50.145%0.44830%0.295SS..EExtended strand (participates in β ladder)trans-131.1126.2-176.9-177.80000108.9V66 R67V56-V66 WeakPolarHBondContact O-CA 3.01Å; V56-R67 PolarHBondContact N-O 2.91Å; V56-R67 PolarHBondContact O-N 3.24Å
57D97.7Very high96.1Very high49 Ų4952.4 Ų52.426%0.26230%0.303SS..EExtended strand (participates in β ladder)trans-101.8127171.5-67-15.8000109.3T23 Q26 I64T23-D57 PolarHBondContact OG1-OD2 3.16Å; Q26-D57 WeakPolarHBondContact CG-OD1 3.25Å; Q26-D57 PolarHBondContact NE2-OD1 2.02Å; Q26-D57 PolarHBondContact NE2-OD2 3.15Å; D57-I64 HydrophobicContact CB-CG2 4.06Å
58T97.5Very high96.2Very high49 Ų4951.9 Ų51.930%0.30130%0.301SS..EExtended strand (participates in β ladder)trans-121.9109.9175.4-51.80000108.4F60 F65T58-F60 HydrophobicContact CG2-CD2 4.17Å; T58-F60 HydrophobicContact CG2-CE2 3.36Å; T58-F60 HydrophobicContact CG2-CZ 3.76Å; T58-F60 VanDerWaalsContact O-CD2 3.24Å; T58-F60 WeakPolarHBondContact O-CD2 3.37Å; T58-F65 PolarHBondContact N-O 3.08Å; T58-F65 PolarHBondContact O-N 3.1Å
59P95.6Very high96.3Very high106 Ų10649.4 Ų49.469%0.68829%0.289SS*.EExtended strand (participates in β ladder)trans-71.9142.6177.829.6-33.9000111.3
60F93.7Very high96.3Very high65 Ų6546.5 Ų46.529%0.28528%0.276SS..EExtended strand (participates in β ladder)trans-139.8165.4174-72.6-90.7000110.3T58 A62 G63 F65 K103 Q139 E143T58-F60 HydrophobicContact CG2-CD2 4.17Å; T58-F60 HydrophobicContact CG2-CE2 3.36Å; T58-F60 HydrophobicContact CG2-CZ 3.76Å; T58-F60 VanDerWaalsContact O-CD2 3.24Å; T58-F60 WeakPolarHBondContact O-CD2 3.37Å; F60-A62 PolarHBondContact O-N 2.04Å; F60-G63 CarbonylContact C-O 3.57Å; F60-G63 WeakPolarHBondContact CA-O 2.91Å; F60-G63 WeakPolarHBondContact CB-O 3.49Å; F60-G63 PolarHBondContact N-O 3.02Å; F60-G63 CarbonylContact O-C 3.58Å; F60-G63 PolarHBondContact O-N 3.04Å; F60-F65 HydrophobicContact CD2-CB 3.85Å; F60-F65 HydrophobicContact CE2-CB 3.76Å; F60-K103 VanDerWaalsContact CG-NZ 3.34Å; F60-Q139 HydrophobicContact CD2-CG 4.23Å; F60-Q139 HydrophobicContact CE1-CG 4.15Å; F60-Q139 HydrophobicContact CE2-CG 3.39Å; F60-Q139 HydrophobicContact CZ-CG 3.38Å; F60-E143 WeakPolarHBondContact CB-OE1 3.43Å
61P92.6Very high96.4Very high119 Ų11947.5 Ų47.577%0.77328%0.275SS*.THydrogen-bonded Turntrans-54.3-43.4178.3-28.236.3000114.6G63 E143P61-G63 PolarHBondContact O-N 2.8Å; P61-E143 WeakPolarHBondContact CD-OE2 3.46Å
62A92.3Very high96.4Very high28 Ų2845.5 Ų45.523%0.23126%0.261CS..THydrogen-bonded Turntrans-79.6-3.9179.200000114.1F60 G105 L111 G142 E143F60-A62 PolarHBondContact O-N 2.04Å; A62-G105 WeakPolarHBondContact O-CA 3.03Å; A62-L111 HydrophobicContact CB-CD1 4.28Å; A62-L111 WeakPolarHBondContact O-CD1 3.4Å; A62-G142 WeakPolarHBondContact CB-O 3.37Å; A62-E143 VanDerWaalsContact CB-CD 3.45Å; A62-E143 HydrophobicContact CB-CG 4.4Å; A62-E143 WeakPolarHBondContact CB-OE1 3.43Å; A62-E143 PolarHBondContact N-OE1 3.16Å; A62-E143 PolarHBondContact N-OE2 2.88Å; A62-E143 VanDerWaalsContact N-OE2 3.16Å
63G95.3Very high96.3Very high17 Ų1744.4 Ų44.418%0.17525%0.253CS..EExtended strand (participates in β ladder)trans139.4-160.7177.800000113.5F60 P61 L104F60-G63 CarbonylContact C-O 3.57Å; F60-G63 WeakPolarHBondContact CA-O 2.91Å; F60-G63 WeakPolarHBondContact CB-O 3.49Å; F60-G63 PolarHBondContact N-O 3.02Å; F60-G63 CarbonylContact O-C 3.58Å; F60-G63 PolarHBondContact O-N 3.04Å; P61-G63 PolarHBondContact O-N 2.8Å; G63-L104 CarbonylContact C-O 3.59Å; G63-L104 VanDerWaalsContact CA-O 3.23Å; G63-L104 WeakPolarHBondContact CA-O 3.08Å
64I97.8Very high96.3Very high66 Ų6641.1 Ų41.134%0.33824%0.237SC..EExtended strand (participates in β ladder)trans-97.8129.8-174.2-56.8172.9000109.9A25 D57 V66 L104A25-I64 HydrophobicContact CB-CD1 4.27Å; A25-I64 HydrophobicContact CB-CG2 4.32Å; D57-I64 HydrophobicContact CB-CG2 4.06Å; I64-V66 HydrophobicContact CG2-CG2 4.04Å; I64-L104 PolarHBondContact N-O 3.38Å; I64-L104 PolarHBondContact O-N 3.49Å
65F98.3Very high96.4Very high7 Ų739.4 Ų39.43%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-92.4124.7166.6176.5-112.2000109.6T58 F60 R67 C101 I102 K103 C135 V138 Q139T58-F65 PolarHBondContact N-O 3.08Å; T58-F65 PolarHBondContact O-N 3.1Å; F60-F65 HydrophobicContact CD2-CB 3.85Å; F60-F65 HydrophobicContact CE2-CB 3.76Å; F65-R67 HydrophobicContact CE1-CB 4.05Å; F65-R67 HydrophobicContact CZ-CB 4.39Å; F65-C101 HydrophobicContact CE2-CB 3.74Å; F65-C101 HydrophobicContact CZ-CB 3.76Å; F65-I102 CarbonylContact C-O 3.5Å; F65-I102 WeakPolarHBondContact CA-O 3.49Å; F65-I102 WeakPolarHBondContact CD2-O 3.43Å; F65-K103 HydrophobicContact CB-CD 4.14Å; F65-C135 HydrophobicContact CZ-CB 4.36Å; F65-V138 HydrophobicContact CD2-CG1 4.43Å; F65-V138 HydrophobicContact CE2-CB 4.31Å; F65-V138 HydrophobicContact CE2-CG1 4.06Å; F65-Q139 HydrophobicContact CB-CG 4.08Å; F65-Q139 HydrophobicContact CD1-CB 4.14Å; F65-Q139 HydrophobicContact CD1-CG 3.86Å; F65-Q139 VanDerWaalsContact CD2-CA 3.49Å; F65-Q139 HydrophobicContact CD2-CB 3.81Å; F65-Q139 HydrophobicContact CD2-CG 4.18Å; F65-Q139 HydrophobicContact CE1-CB 4.21Å; F65-Q139 HydrophobicContact CE1-CG 4.31Å; F65-Q139 HydrophobicContact CE2-CB 3.87Å; F65-Q139 HydrophobicContact CG-CB 3.92Å; F65-Q139 HydrophobicContact CG-CG 3.77Å; F65-Q139 HydrophobicContact CZ-CB 4.07Å
66V98.6Very high96.2Very high0 Ų040.7 Ų40.70%023%0.233CC..EExtended strand (participates in β ladder)trans-113.2120.2-179-176.70000108.2A25 Q26 V56 I64 L68 C101 I102 L104A25-V66 HydrophobicContact CB-CG2 4.03Å; Q26-V66 HydrophobicContact CG-CG1 4.14Å; V56-V66 WeakPolarHBondContact O-CA 3.01Å; I64-V66 HydrophobicContact CG2-CG2 4.04Å; V66-L68 HydrophobicContact CG1-CD1 4.26Å; V66-L68 HydrophobicContact CG1-CD2 3.79Å; V66-L68 HydrophobicContact CG1-CG 3.84Å; V66-C101 CarbonylContact O-C 3.52Å; V66-C101 WeakPolarHBondContact O-CA 3.03Å; V66-I102 PolarHBondContact N-O 3.24Å; V66-I102 PolarHBondContact O-N 2.94Å; V66-L104 HydrophobicContact CG2-CD1 4.04Å
67R98.5Very high96.1Very high49 Ų4938.3 Ų38.319%0.18522%0.219CC..EExtended strand (participates in β ladder)trans-109.3125.5171.8-174.6-179.9-180-662.5109.4A55 V56 F65 E69 L99 A100 E132A55-R67 WeakPolarHBondContact CA-O 3.36Å; V56-R67 PolarHBondContact N-O 2.91Å; V56-R67 PolarHBondContact O-N 3.24Å; F65-R67 HydrophobicContact CE1-CB 4.05Å; F65-R67 HydrophobicContact CZ-CB 4.39Å; R67-E69 IonicContact CZ-OE1 3.43Å; R67-E69 IonicContact NH1-OE1 2.8Å; R67-E69 PolarHBondContact NH1-OE1 3.48Å; R67-E69 IonicContact NH2-OE1 3.46Å; R67-E69 PolarHBondContact NH2-OE1 3.35Å; R67-L99 HydrophobicContact CG-CD1 4.21Å; R67-A100 CarbonylContact C-O 3.6Å; R67-A100 WeakPolarHBondContact CA-O 3.5Å; R67-E132 IonicContact CZ-OE1 2.77Å; R67-E132 IonicContact NE-OE1 3.55Å; R67-E132 PolarHBondContact NE-OE1 3.26Å; R67-E132 IonicContact NE-OE2 2.94Å; R67-E132 IonicContact NH2-OE1 3.33Å; R67-E132 PolarHBondContact NH2-OE1 2.8Å
68L98.4Very high95.9Very high1 Ų142 Ų421%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-126.3134.4-177.7-55.9173.8000110.7Q26 L30 S54 A55 V66 F70 L99 A100 I102Q26-L68 HydrophobicContact CB-CD2 4.28Å; Q26-L68 HydrophobicContact CG-CD2 4.33Å; L30-L68 HydrophobicContact CB-CD1 3.93Å; S54-L68 WeakPolarHBondContact O-CA 3.17Å; A55-L68 HydrophobicContact CB-CD2 3.52Å; V66-L68 HydrophobicContact CG1-CD1 4.26Å; V66-L68 HydrophobicContact CG1-CD2 3.79Å; V66-L68 HydrophobicContact CG1-CG 3.84Å; L68-F70 HydrophobicContact CB-CD1 3.95Å; L68-F70 HydrophobicContact CB-CE1 4.33Å; L68-L99 WeakPolarHBondContact O-CA 3.18Å; L68-A100 HydrophobicContact CB-CB 4.46Å; L68-A100 PolarHBondContact N-O 3.08Å; L68-A100 PolarHBondContact O-N 3.1Å; L68-I102 HydrophobicContact CD1-CD1 4.21Å
69E96.6Very high95.7Very high43 Ų4341.8 Ų41.820%0.20122%0.224CC..EExtended strand (participates in β ladder)trans-114.6124.8158.9-67.7178-144.800109.2V52 E53 S54 R67 K97 C98 L99V52-E69 CarbonylContact C-O 3.49Å; E53-E69 HydrophobicContact CB-CB 4.4Å; E53-E69 PolarHBondContact N-O 3.44Å; S54-E69 PolarHBondContact N-O 3.17Å; S54-E69 VanDerWaalsContact N-O 3.16Å; S54-E69 PolarHBondContact O-N 2.73Å; S54-E69 WeakPolarHBondContact OG-CB 2.76Å; R67-E69 IonicContact CZ-OE1 3.43Å; R67-E69 IonicContact NH1-OE1 2.8Å; R67-E69 PolarHBondContact NH1-OE1 3.48Å; R67-E69 IonicContact NH2-OE1 3.46Å; R67-E69 PolarHBondContact NH2-OE1 3.35Å; E69-K97 WeakPolarHBondContact OE2-CE 3.43Å; E69-K97 IonicContact OE2-NZ 3.65Å; E69-K97 PolarHBondContact OE2-NZ 3.5Å; E69-C98 WeakPolarHBondContact CA-O 3.49Å; E69-L99 HydrophobicContact CG-CD1 4.02Å
70F96.3Very high95.6Very high0 Ų046.9 Ų46.90%023%0.229CC..EExtended strand (participates in β ladder)trans-148.1162.8-175.161.8-82.2000111.5L30 A33 E49 S51 V52 L68 L72 C98 A100L30-F70 HydrophobicContact CD1-CD1 4.13Å; L30-F70 HydrophobicContact CD1-CD2 3.92Å; L30-F70 HydrophobicContact CD1-CE1 4.28Å; L30-F70 HydrophobicContact CD1-CE2 4.08Å; L30-F70 HydrophobicContact CD1-CG 3.95Å; L30-F70 HydrophobicContact CD1-CZ 4.26Å; A33-F70 HydrophobicContact CB-CE1 4.05Å; A33-F70 HydrophobicContact CB-CZ 3.78Å; E49-F70 HydrophobicContact CG-CD2 4.47Å; S51-F70 CarbonylContact O-C 3.59Å; S51-F70 VanDerWaalsContact O-CA 3.25Å; S51-F70 WeakPolarHBondContact O-CA 3.43Å; S51-F70 WeakPolarHBondContact O-CB 3.47Å; V52-F70 HydrophobicContact CB-CB 4.48Å; V52-F70 HydrophobicContact CG2-CB 4.1Å; L68-F70 HydrophobicContact CB-CD1 3.95Å; L68-F70 HydrophobicContact CB-CE1 4.33Å; F70-L72 HydrophobicContact CD2-CD2 3.75Å; F70-L72 HydrophobicContact CD2-CG 4.04Å; F70-L72 HydrophobicContact CE2-CD1 4.09Å; F70-L72 HydrophobicContact CE2-CD2 3.63Å; F70-L72 HydrophobicContact CE2-CG 3.76Å; F70-C98 HydrophobicContact CD1-CB 4.12Å; F70-C98 HydrophobicContact CD2-CB 3.99Å; F70-C98 HydrophobicContact CE1-CB 3.73Å; F70-C98 HydrophobicContact CE2-CB 3.59Å; F70-C98 HydrophobicContact CG-CB 4.23Å; F70-C98 HydrophobicContact CZ-CB 3.45Å; F70-C98 VanDerWaalsContact CZ-CB 3.45Å; F70-C98 PolarHBondContact N-O 3.25Å; F70-C98 PolarHBondContact O-N 2.86Å; F70-A100 HydrophobicContact CE1-CB 3.76Å; F70-A100 HydrophobicContact CZ-CB 4.46Å
71K95.6Very high95.6Very high85 Ų8545.3 Ų45.337%0.3722%0.224SC..EExtended strand (participates in β ladder)trans-111.4132.6-179.8-70.3178.3165.2148.80110.8E49 T50 S51 E53 R96E49-K71 WeakPolarHBondContact CA-O 3.25Å; T50-K71 PolarHBondContact N-O 3.41Å; T50-K71 PolarHBondContact OG1-O 2.7Å; S51-K71 PolarHBondContact O-N 3.29Å; S51-K71 WeakPolarHBondContact OG-CB 3.33Å; S51-K71 WeakPolarHBondContact OG-CD 3.49Å; E53-K71 WeakPolarHBondContact OE1-CE 3.45Å; E53-K71 IonicContact OE1-NZ 2.62Å; E53-K71 PolarHBondContact OE1-NZ 2.62Å; K71-R96 CarbonylContact C-O 3.59Å; K71-R96 VanDerWaalsContact CA-O 3.28Å; K71-R96 WeakPolarHBondContact CA-O 3.4Å
72L95.5Very high95.7Very high1 Ų142.6 Ų42.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-108.2146.4171.4-58.7-176.7000111L34 F37 F47 Q48 E49 F70 K95 R96L34-L72 HydrophobicContact CD2-CD1 4.38Å; L34-L72 HydrophobicContact CD2-CD2 3.54Å; F37-L72 HydrophobicContact CD1-CD1 3.75Å; F37-L72 HydrophobicContact CD2-CD1 4.02Å; F37-L72 HydrophobicContact CE1-CD1 3.88Å; F37-L72 HydrophobicContact CE2-CD1 4.12Å; F37-L72 HydrophobicContact CG-CD1 3.82Å; F37-L72 HydrophobicContact CZ-CD1 4.05Å; F47-L72 HydrophobicContact CB-CB 4.1Å; F47-L72 HydrophobicContact CB-CD1 4.33Å; F47-L72 HydrophobicContact CD1-CB 4.07Å; Q48-L72 CarbonylContact O-C 3.6Å; Q48-L72 VanDerWaalsContact O-CA 3.28Å; Q48-L72 WeakPolarHBondContact O-CA 3.46Å; E49-L72 HydrophobicContact CB-CD2 4.02Å; F70-L72 HydrophobicContact CD2-CD2 3.75Å; F70-L72 HydrophobicContact CD2-CG 4.04Å; F70-L72 HydrophobicContact CE2-CD1 4.09Å; F70-L72 HydrophobicContact CE2-CD2 3.63Å; F70-L72 HydrophobicContact CE2-CG 3.76Å; L72-K95 CarbonylContact O-C 3.56Å; L72-K95 WeakPolarHBondContact O-CA 3.36Å; L72-R96 HydrophobicContact CB-CB 4.19Å; L72-R96 PolarHBondContact N-O 2.84Å; L72-R96 PolarHBondContact O-N 3.27Å
73Q95.1Very high95.7Very high23 Ų2347.7 Ų47.711%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-133.1140.3172.5-166.6168-22.600111.6F47 Q48 T50 V89 R90 P91 R94 K95F47-Q73 CarbonylContact C-O 3.6Å; F47-Q73 VanDerWaalsContact CA-O 3.3Å; F47-Q73 WeakPolarHBondContact CA-O 3.28Å; F47-Q73 VanDerWaalsContact CD1-C 3.5Å; Q48-Q73 PolarHBondContact N-O 2.81Å; Q48-Q73 PolarHBondContact O-N 2.81Å; T50-Q73 HydrophobicContact CG2-CB 3.59Å; Q73-V89 HydrophobicContact CB-CG1 3.74Å; Q73-V89 HydrophobicContact CG-CG1 3.49Å; Q73-V89 VanDerWaalsContact CG-CG1 3.49Å; Q73-R90 PolarHBondContact NE2-O 2.81Å; Q73-P91 PolarHBondContact NE2-O 2.77Å; Q73-P91 VanDerWaalsContact NE2-O 3.12Å; Q73-R94 WeakPolarHBondContact CA-O 3.44Å; Q73-K95 HydrophobicContact CG-CG 4.08Å
74Q95.6Very high95.6Very high14 Ų1452 Ų527%0.06523%0.229CC..EExtended strand (participates in β ladder)trans-62.3138.5-179.6-175.8-176.6-14.900111.7W45 F47 R90 R94W45-Q74 HydrophobicContact CB-CG 3.86Å; W45-Q74 HydrophobicContact CG-CG 4.31Å; F47-Q74 HydrophobicContact CD1-CB 4.25Å; F47-Q74 HydrophobicContact CE1-CB 3.85Å; F47-Q74 HydrophobicContact CE2-CB 4.28Å; F47-Q74 HydrophobicContact CE2-CG 4.34Å; F47-Q74 HydrophobicContact CZ-CB 3.86Å; F47-Q74 HydrophobicContact CZ-CG 4.29Å; Q74-R90 PolarHBondContact O-N 3.45Å; Q74-R94 HydrophobicContact CB-CB 4.27Å; Q74-R94 PolarHBondContact N-O 2.78Å
75T96.7Very high95.2Very high2 Ų254.4 Ų54.41%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-101.5-179.8178.2710000112.7A46 Q48 C77 K88 V89 R90A46-T75 VanDerWaalsContact CB-OG1 3.24Å; A46-T75 WeakPolarHBondContact CB-OG1 3.35Å; A46-T75 PolarHBondContact O-N 3.48Å; A46-T75 PolarHBondContact O-OG1 3.4Å; Q48-T75 HydrophobicContact CB-CG2 3.8Å; T75-C77 VanDerWaalsContact C-N 3.27Å; T75-C77 PolarHBondContact OG1-N 3.35Å; T75-K88 CarbonylContact C-O 3.49Å; T75-K88 WeakPolarHBondContact CA-O 3.44Å; T75-K88 VanDerWaalsContact CB-O 3.25Å; T75-K88 WeakPolarHBondContact CB-O 3.37Å; T75-V89 HydrophobicContact CG2-CG2 4.44Å; T75-R90 PolarHBondContact O-NE 2.86Å
76S94.3Very high94.9Very high57 Ų5760.3 Ų60.340%0.39928%0.277SS..EExtended strand (participates in β ladder)trans-72-15.8171.257.20000114.8K88 R90S76-K88 PolarHBondContact N-O 3.48Å; S76-R90 PolarHBondContact O-NH2 3.01Å
77C95.6Very high94.6Very high23 Ų2360.7 Ų60.716%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-94.6158.1-170.7-72.70000114.3A46 T75 D81 C87A46-C77 HydrophobicContact CB-CB 3.97Å; A46-C77 PolarHBondContact N-O 2.84Å; T75-C77 VanDerWaalsContact C-N 3.27Å; T75-C77 PolarHBondContact OG1-N 3.35Å; C77-D81 HydrophobicContact CB-CB 4.1Å; C77-C87 HydrophobicContact CB-CB 3.65Å; C77-C87 WeakPolarHBondContact CB-SG 3.45Å; C77-C87 WeakPolarHBondContact SG-CA 3.2Å; C77-C87 WeakPolarHBondContact SG-CB 3.47Å; C77-C87 CovalentContact SG-SG 2.02Å; C77-C87 PolarHBondContact SG-SG 3.14Å
78R94.8Very high94.3Very high126 Ų12665.9 Ų65.948%0.47530%0.303SS..EExtended strand (participates in β ladder)trans-70.9154.3167.9-65.2-62.8-172.4163.81.2110.1R80 D81R78-R80 HydrophobicContact CB-CG 4.24Å; R78-R80 PolarHBondContact O-N 3.39Å; R78-R80 VanDerWaalsContact O-N 3.13Å; R78-D81 PolarHBondContact O-N 3Å
79K93.3Very high94.2Very high46 Ų4668 Ų6820%0.232%0.316CS..G310 helixtrans-48.3-42.8179162.3177.3147.5146.80112.9H38 K39 H40 V43 Q44 D81 W82H38-K79 WeakPolarHBondContact O-CD 3.06Å; H38-K79 WeakPolarHBondContact O-CE 3.37Å; H38-K79 PolarHBondContact O-NZ 2.88Å; K39-K79 PolarHBondContact O-NZ 2.9Å; H40-K79 PolarHBondContact O-NZ 3.32Å; V43-K79 WeakPolarHBondContact O-CD 3.49Å; Q44-K79 PolarHBondContact O-N 3.24Å; K79-D81 PolarHBondContact O-N 2.92Å; K79-D81 VanDerWaalsContact O-N 3.12Å; K79-W82 WeakPolarHBondContact O-CB 3.47Å; K79-W82 PolarHBondContact O-N 3.3Å; K79-W82 VanDerWaalsContact O-N 3.17Å
80R92.5Very high94.1Very high213 Ų21370.7 Ų70.780%0.80432%0.324SS*.G310 helixtrans-59.8-24-179.768.3-174.5177.7-168.7-0.5114.4R78R78-R80 HydrophobicContact CB-CG 4.24Å; R78-R80 PolarHBondContact O-N 3.39Å; R78-R80 VanDerWaalsContact O-N 3.13Å
81D93.9Very high94Very high31 Ų3176.1 Ų76.117%0.16636%0.359CS..G310 helixtrans-99.39-175.1-62.3-59.1000111.8C77 R78 K79 K83 K84 C87C77-D81 HydrophobicContact CB-CB 4.1Å; R78-D81 PolarHBondContact O-N 3Å; K79-D81 PolarHBondContact O-N 2.92Å; K79-D81 VanDerWaalsContact O-N 3.12Å; D81-K83 PolarHBondContact O-N 3.25Å; D81-K83 VanDerWaalsContact O-N 3.08Å; D81-K84 HydrophobicContact CB-CD 3.95Å; D81-K84 HydrophobicContact CB-CG 4.31Å; D81-K84 VanDerWaalsContact O-CB 3.25Å; D81-K84 WeakPolarHBondContact O-CB 3.36Å; D81-K84 WeakPolarHBondContact O-CG 3.49Å; D81-K84 PolarHBondContact O-N 3.42Å; D81-K84 WeakPolarHBondContact OD1-CE 3.29Å; D81-K84 IonicContact OD1-NZ 2.7Å; D81-K84 PolarHBondContact OD1-NZ 2.96Å; D81-C87 PolarHBondContact O-SG 3.38Å
82W94Very high93.8Very high63 Ų6379.9 Ų79.924%0.23938%0.384CS..THydrogen-bonded Turntrans-60.6-24.3-17075.9-86000115.7L34 E35 H38 A46 K79 K84L34-W82 HydrophobicContact CB-CH2 3.93Å; L34-W82 HydrophobicContact CB-CZ3 3.83Å; L34-W82 HydrophobicContact CD1-CZ3 4.42Å; E35-W82 HydrophobicContact CB-CZ2 4.45Å; E35-W82 HydrophobicContact CG-CH2 3.84Å; E35-W82 HydrophobicContact CG-CZ2 3.73Å; H38-W82 HydrophobicContact CB-CD2 4.24Å; H38-W82 HydrophobicContact CB-CG 4.14Å; H38-W82 AromaticContact CD2-CG 3.75Å; H38-W82 AromaticContact CE1-CD2 3.98Å; H38-W82 AromaticContact CE1-CE3 3.92Å; H38-W82 AromaticContact CG-CD1 3.93Å; H38-W82 AromaticContact CG-CD2 3.81Å; H38-W82 AromaticContact CG-CG 3.69Å; H38-W82 AromaticContact ND1-CD2 3.63Å; H38-W82 AromaticContact ND1-CE3 3.79Å; H38-W82 AromaticContact ND1-CG 3.94Å; A46-W82 VanDerWaalsContact CB-CA 3.47Å; A46-W82 HydrophobicContact CB-CB 3.45Å; A46-W82 VanDerWaalsContact CB-CB 3.45Å; K79-W82 WeakPolarHBondContact O-CB 3.47Å; K79-W82 PolarHBondContact O-N 3.3Å; K79-W82 VanDerWaalsContact O-N 3.17Å; W82-K84 VanDerWaalsContact C-N 3.31Å
83K93.3Very high93.6Very high135 Ų13580.2 Ų80.259%0.58739%0.387SS*.THydrogen-bonded Turntrans-82-8175.9-64.2-168.7174.3-1690113.3E35 D81E35-K83 IonicContact OE1-NZ 2.94Å; E35-K83 PolarHBondContact OE1-NZ 2.89Å; D81-K83 PolarHBondContact O-N 3.25Å; D81-K83 VanDerWaalsContact O-N 3.08Å
84K93.8Very high93.5Very high107 Ų10787.2 Ų87.247%0.46541%0.413SS..  trans-77.9134.6-175.6-64.8-170.5178.31680110.9D81 W82 E86 C87D81-K84 HydrophobicContact CB-CD 3.95Å; D81-K84 HydrophobicContact CB-CG 4.31Å; D81-K84 VanDerWaalsContact O-CB 3.25Å; D81-K84 WeakPolarHBondContact O-CB 3.36Å; D81-K84 WeakPolarHBondContact O-CG 3.49Å; D81-K84 PolarHBondContact O-N 3.42Å; D81-K84 WeakPolarHBondContact OD1-CE 3.29Å; D81-K84 IonicContact OD1-NZ 2.7Å; D81-K84 PolarHBondContact OD1-NZ 2.96Å; W82-K84 VanDerWaalsContact C-N 3.31Å; K84-E86 WeakPolarHBondContact CB-OE2 3.27Å; K84-E86 PolarHBondContact O-N 2.91Å; K84-C87 VanDerWaalsContact O-CB 3.31Å; K84-C87 WeakPolarHBondContact O-CB 3.37Å; K84-C87 PolarHBondContact O-N 2.96Å; K84-C87 PolarHBondContact O-SG 3.39Å
85P89.3Confident93.4Very high117 Ų11792.6 Ų92.676%0.7644%0.436SS*.THydrogen-bonded Turntrans-69-19.8-17528.3-34.6000113.5C87P85-C87 PolarHBondContact O-N 3.41Å
86E91.5Very high93.2Very high131 Ų13194.2 Ų94.261%0.61244%0.442SS*.THydrogen-bonded Turntrans-74.4-9.5178.3-50.378.4-162.400112.8K84 K88K84-E86 WeakPolarHBondContact CB-OE2 3.27Å; K84-E86 PolarHBondContact O-N 2.91Å; E86-K88 PolarHBondContact O-N 3.49Å
87C91.3Very high93.1Very high8 Ų896.4 Ų96.45%0.05444%0.444CS..  trans-77.183.5-176.6-63.10000112.3Q48 C77 D81 K84 P85Q48-C87 PolarHBondContact OE1-O 2.97Å; C77-C87 HydrophobicContact CB-CB 3.65Å; C77-C87 WeakPolarHBondContact CB-SG 3.45Å; C77-C87 WeakPolarHBondContact SG-CA 3.2Å; C77-C87 WeakPolarHBondContact SG-CB 3.47Å; C77-C87 CovalentContact SG-SG 2.02Å; C77-C87 PolarHBondContact SG-SG 3.14Å; D81-C87 PolarHBondContact O-SG 3.38Å; K84-C87 VanDerWaalsContact O-CB 3.31Å; K84-C87 WeakPolarHBondContact O-CB 3.37Å; K84-C87 PolarHBondContact O-N 2.96Å; K84-C87 PolarHBondContact O-SG 3.39Å; P85-C87 PolarHBondContact O-N 3.41Å
88K93.2Very high93.1Very high158 Ų15895.4 Ų95.469%0.68744%0.437SS*.PPolyproline II helixtrans-77.6140.3179.9-62.6-179.9-177.8-178.30112.1T75 S76 E86 R90T75-K88 CarbonylContact C-O 3.49Å; T75-K88 WeakPolarHBondContact CA-O 3.44Å; T75-K88 VanDerWaalsContact CB-O 3.25Å; T75-K88 WeakPolarHBondContact CB-O 3.37Å; S76-K88 PolarHBondContact N-O 3.48Å; E86-K88 PolarHBondContact O-N 3.49Å; K88-R90 PolarHBondContact O-N 2.89Å
89V95.7Very high93.1Very high45 Ų4590.1 Ų90.127%0.27342%0.418SS..BIsolated β-bridgetrans-55134168.5174.20000110.3Q48 T50 Q73 T75Q48-V89 HydrophobicContact CB-CG2 3.77Å; Q48-V89 HydrophobicContact CG-CG2 4.42Å; T50-V89 HydrophobicContact CG2-CG2 4.11Å; Q73-V89 HydrophobicContact CB-CG1 3.74Å; Q73-V89 HydrophobicContact CG-CG1 3.49Å; Q73-V89 VanDerWaalsContact CG-CG1 3.49Å; T75-V89 HydrophobicContact CG2-CG2 4.44Å
90R95.2Very high93.3Very high100 Ų10087.9 Ų87.938%0.37741%0.409SS..PPolyproline II helixtrans-82.3130.3171.6-71.4-178177.3178.59.6109.1Q73 Q74 T75 S76 K88 N92 G93Q73-R90 PolarHBondContact NE2-O 2.81Å; Q74-R90 PolarHBondContact O-N 3.45Å; T75-R90 PolarHBondContact O-NE 2.86Å; S76-R90 PolarHBondContact O-NH2 3.01Å; K88-R90 PolarHBondContact O-N 2.89Å; R90-N92 PolarHBondContact O-N 2.85Å; R90-N92 VanDerWaalsContact O-N 3.16Å; R90-G93 WeakPolarHBondContact O-CA 3.44Å; R90-G93 PolarHBondContact O-N 2.9Å
91P93Very high93.6Very high113 Ų11377.8 Ų77.873%0.73437%0.371SS*.THydrogen-bonded Turntrans-51.8-41.1179.1-29.134.8000114Q73Q73-P91 PolarHBondContact NE2-O 2.77Å; Q73-P91 VanDerWaalsContact NE2-O 3.12Å
92N91.3Very high93.8Very high164 Ų16476.3 Ų76.388%0.87736%0.363SS*.THydrogen-bonded Turntrans-102.924.8176.7-61-27.3000112.7R90R90-N92 PolarHBondContact O-N 2.85Å; R90-N92 VanDerWaalsContact O-N 3.16Å
93G92.3Very high94.1Very high8 Ų873.3 Ų73.38%0.08235%0.351CS..  trans-65.8150.9176.700000111.6R90 K95R90-G93 WeakPolarHBondContact O-CA 3.44Å; R90-G93 PolarHBondContact O-N 2.9Å; G93-K95 PolarHBondContact O-N 2.94Å
94R92.8Very high94.3Very high171 Ų17167.1 Ų67.165%0.64533%0.325SS*.  trans-56.3137172.1-66.1176.4179.3-175.5-1.4109.7F47 Q73 Q74F47-R94 HydrophobicContact CE1-CB 4.25Å; F47-R94 VanDerWaalsContact CE1-O 3.31Å; F47-R94 WeakPolarHBondContact CE1-O 3.37Å; F47-R94 HydrophobicContact CZ-CB 4.21Å; Q73-R94 WeakPolarHBondContact CA-O 3.44Å; Q74-R94 HydrophobicContact CB-CB 4.27Å; Q74-R94 PolarHBondContact N-O 2.78Å
95K92.9Very high94.4Very high127 Ų12762.5 Ų62.555%0.55231%0.308SS*.EExtended strand (participates in β ladder)trans-105.8155.6178.7-62.1-179.4-177.3178.50110.5L72 Q73 G93L72-K95 CarbonylContact O-C 3.56Å; L72-K95 WeakPolarHBondContact O-CA 3.36Å; Q73-K95 HydrophobicContact CG-CG 4.08Å; G93-K95 PolarHBondContact O-N 2.94Å
96R92.3Very high94.6Very high36 Ų3661.7 Ų61.714%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-141.1136.1174.3-58.1-66175.6131.7-4.4109F37 F47 K71 L72 C117 P118 I119F37-R96 HydrophobicContact CZ-CG 4.49Å; F47-R96 HydrophobicContact CD1-CG 4.3Å; F47-R96 HydrophobicContact CE1-CG 3.94Å; K71-R96 CarbonylContact C-O 3.59Å; K71-R96 VanDerWaalsContact CA-O 3.28Å; K71-R96 WeakPolarHBondContact CA-O 3.4Å; L72-R96 HydrophobicContact CB-CB 4.19Å; L72-R96 PolarHBondContact N-O 2.84Å; L72-R96 PolarHBondContact O-N 3.27Å; R96-C117 PolarHBondContact NH1-O 2.9Å; R96-C117 VanDerWaalsContact NH1-O 3.08Å; R96-P118 WeakPolarHBondContact CD-O 3.45Å; R96-P118 PolarHBondContact NH1-O 3.13Å; R96-I119 VanDerWaalsContact NH1-CA 3.32Å
97K93.3Very high94.5Very high103 Ų10364.6 Ų64.645%0.44832%0.318SS..EExtended strand (participates in β ladder)trans-94.6133.7159.2-176.2169170.11580107.6E53 E69 P118E53-K97 WeakPolarHBondContact OE2-CE 3.16Å; E53-K97 IonicContact OE2-NZ 3.5Å; E53-K97 PolarHBondContact OE2-NZ 3.38Å; E69-K97 WeakPolarHBondContact OE2-CE 3.43Å; E69-K97 IonicContact OE2-NZ 3.65Å; E69-K97 PolarHBondContact OE2-NZ 3.5Å; K97-P118 WeakPolarHBondContact O-CD 3.05Å
98C94.5Very high94.4Very high2 Ų268.5 Ų68.51%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-122.5139.8-175.7-680000110E69 F70 H116 C117E69-C98 WeakPolarHBondContact CA-O 3.49Å; F70-C98 HydrophobicContact CD1-CB 4.12Å; F70-C98 HydrophobicContact CD2-CB 3.99Å; F70-C98 HydrophobicContact CE1-CB 3.73Å; F70-C98 HydrophobicContact CE2-CB 3.59Å; F70-C98 HydrophobicContact CG-CB 4.23Å; F70-C98 HydrophobicContact CZ-CB 3.45Å; F70-C98 VanDerWaalsContact CZ-CB 3.45Å; F70-C98 PolarHBondContact N-O 3.25Å; F70-C98 PolarHBondContact O-N 2.86Å; C98-H116 CarbonylContact C-O 3.36Å; C98-H116 VanDerWaalsContact CA-O 3.25Å; C98-H116 WeakPolarHBondContact CA-O 3.46Å; C98-C117 HydrophobicContact CB-CB 4.19Å; C98-C117 WeakPolarHBondContact CB-SG 3.35Å; C98-C117 WeakPolarHBondContact SG-CB 3.06Å; C98-C117 CovalentContact SG-SG 2.04Å; C98-C117 PolarHBondContact SG-SG 3.48Å
99L95.5Very high94.5Very high14 Ų1467.7 Ų67.77%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-106.8131.6161.2173.965.4000107.7R67 L68 E69 H116 Q131R67-L99 HydrophobicContact CG-CD1 4.21Å; L68-L99 WeakPolarHBondContact O-CA 3.18Å; E69-L99 HydrophobicContact CG-CD1 4.02Å; L99-H116 PolarHBondContact N-O 3.45Å; L99-H116 PolarHBondContact O-N 3.11Å; L99-Q131 HydrophobicContact CD2-CB 3.89Å; L99-Q131 HydrophobicContact CD2-CG 4.49Å
100A98.2Very high94.7Very high0 Ų067 Ų670%033%0.331CS..EExtended strand (participates in β ladder)trans-130.9138.3168.900000111.4A33 R67 L68 F70 I102 L114 V115A33-A100 HydrophobicContact CB-CB 3.69Å; R67-A100 CarbonylContact C-O 3.6Å; R67-A100 WeakPolarHBondContact CA-O 3.5Å; L68-A100 HydrophobicContact CB-CB 4.46Å; L68-A100 PolarHBondContact N-O 3.08Å; L68-A100 PolarHBondContact O-N 3.1Å; F70-A100 HydrophobicContact CE1-CB 3.76Å; F70-A100 HydrophobicContact CZ-CB 4.46Å; A100-I102 HydrophobicContact CB-CD1 3.77Å; A100-L114 CarbonylContact C-O 3.59Å; A100-L114 VanDerWaalsContact CA-O 3.26Å; A100-L114 WeakPolarHBondContact CA-O 3.29Å; A100-V115 HydrophobicContact CB-CG2 4.22Å
101C98.7Very high94.7Very high0 Ų065.2 Ų65.20%033%0.329CS..EExtended strand (participates in β ladder)trans-127.9118.3176.6-690000106.9F65 V66 R113 L114 C135 V138F65-C101 HydrophobicContact CE2-CB 3.74Å; F65-C101 HydrophobicContact CZ-CB 3.76Å; V66-C101 CarbonylContact O-C 3.52Å; V66-C101 WeakPolarHBondContact O-CA 3.03Å; C101-R113 CarbonylContact O-C 3.55Å; C101-R113 VanDerWaalsContact O-CA 3.31Å; C101-R113 WeakPolarHBondContact O-CA 3.21Å; C101-L114 HydrophobicContact CB-CB 4.28Å; C101-L114 PolarHBondContact N-O 2.88Å; C101-L114 PolarHBondContact O-N 3Å; C101-C135 HydrophobicContact CB-CB 3.77Å; C101-C135 WeakPolarHBondContact CB-SG 3.46Å; C101-C135 WeakPolarHBondContact SG-CB 3.5Å; C101-C135 CovalentContact SG-SG 2.03Å; C101-C135 PolarHBondContact SG-SG 2.98Å; C101-V138 WeakPolarHBondContact O-CG1 3.46Å
102I98.7Very high95Very high0 Ų060.6 Ų60.60%030%0.301CS..EExtended strand (participates in β ladder)trans-128.2132-173.9-54.694.5000108.7G29 V32 F65 V66 L68 A100 L104 V110G29-I102 WeakPolarHBondContact O-CD1 3.32Å; V32-I102 HydrophobicContact CG1-CG1 4.36Å; V32-I102 HydrophobicContact CG1-CG2 4.35Å; F65-I102 CarbonylContact C-O 3.5Å; F65-I102 WeakPolarHBondContact CA-O 3.49Å; F65-I102 WeakPolarHBondContact CD2-O 3.43Å; V66-I102 PolarHBondContact N-O 3.24Å; V66-I102 PolarHBondContact O-N 2.94Å; L68-I102 HydrophobicContact CD1-CD1 4.21Å; A100-I102 HydrophobicContact CB-CD1 3.77Å; I102-L104 HydrophobicContact CG2-CD2 3.7Å; I102-L104 HydrophobicContact CG2-CG 4.04Å; I102-V110 HydrophobicContact CG2-CG1 4.19Å
103K98.5Very high95.3Very high0 Ų058.5 Ų58.50%028%0.281CS..EExtended strand (participates in β ladder)trans-102.6115.6168.8-173.374170.7-162.60109.1F60 F65 V110 L111 G112 V138 Q139 A141 E143F60-K103 VanDerWaalsContact CG-NZ 3.34Å; F65-K103 HydrophobicContact CB-CD 4.14Å; K103-V110 CarbonylContact O-C 3.47Å; K103-L111 HydrophobicContact CB-CB 4.17Å; K103-L111 HydrophobicContact CG-CB 3.85Å; K103-L111 HydrophobicContact CG-CD1 4.08Å; K103-L111 HydrophobicContact CG-CG 4.4Å; K103-L111 PolarHBondContact O-N 2.92Å; K103-G112 PolarHBondContact N-O 2.03Å; K103-V138 HydrophobicContact CB-CG1 4.02Å; K103-V138 WeakPolarHBondContact CB-O 3.41Å; K103-Q139 WeakPolarHBondContact CE-O 3.5Å; K103-Q139 PolarHBondContact NZ-O 3.02Å; K103-A141 HydrophobicContact CB-CB 4.22Å; K103-A141 WeakPolarHBondContact CE-O 3.31Å; K103-A141 HydrophobicContact CG-CB 4.21Å; K103-A141 WeakPolarHBondContact CG-O 3.46Å; K103-E143 WeakPolarHBondContact CE-OE1 3.35Å; K103-E143 IonicContact NZ-OE1 2.63Å; K103-E143 PolarHBondContact NZ-OE1 3.32Å
104L98.4Very high95.5Very high5 Ų559.5 Ų59.53%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-102.9123.7176.6-60.4176.4000108.9A25 R28 G63 I64 V66 I102 K109 V110A25-L104 HydrophobicContact CB-CD1 4.24Å; R28-L104 HydrophobicContact CB-CD1 4.11Å; R28-L104 HydrophobicContact CG-CD1 3.96Å; R28-L104 HydrophobicContact CG-CD2 4.1Å; G63-L104 CarbonylContact C-O 3.59Å; G63-L104 VanDerWaalsContact CA-O 3.23Å; G63-L104 WeakPolarHBondContact CA-O 3.08Å; I64-L104 PolarHBondContact N-O 3.38Å; I64-L104 PolarHBondContact O-N 3.49Å; V66-L104 HydrophobicContact CG2-CD1 4.04Å; I102-L104 HydrophobicContact CG2-CD2 3.7Å; I102-L104 HydrophobicContact CG2-CG 4.04Å; L104-K109 CarbonylContact C-O 3.59Å; L104-K109 WeakPolarHBondContact CA-O 3.26Å; L104-V110 HydrophobicContact CD2-CG2 4.05Å
105G96.1Very high95.6Very high11 Ų1152.4 Ų52.411%0.11326%0.26CS..  trans-90.9-159.9172.400000112.1A62 D108 K109A62-G105 WeakPolarHBondContact O-CA 3.03Å; G105-D108 PolarHBondContact O-N 3.46Å; G105-K109 PolarHBondContact N-O 3.43Å
106S92.9Very high95.6Very high99 Ų9949.2 Ų49.269%0.69225%0.247SC*.G310 helixtrans-58147.6170.655.20000111.5D108 K109S106-D108 PolarHBondContact O-N 2.78Å; S106-K109 WeakPolarHBondContact O-CB 3.46Å; S106-K109 PolarHBondContact O-N 2.79Å; S106-K109 VanDerWaalsContact O-N 3.15Å
107E90.5Very high95.6Very high193 Ų19348.4 Ų48.490%0.90225%0.246SC*.G310 helixtrans54.734.3179.6-54.5179.3169.300113.4K109E107-K109 PolarHBondContact O-N 2.82Å
108D88.3Confident95.3Very high90 Ų9045.4 Ų45.448%0.48124%0.238SC..G310 helixtrans57.322.5-179.8-57.8-41.6000114.5R28 G105 S106 V110R28-D108 HydrophobicContact CG-CB 4.19Å; G105-D108 PolarHBondContact O-N 3.46Å; S106-D108 PolarHBondContact O-N 2.78Å; D108-V110 PolarHBondContact O-N 2.85Å
109K96.5Very high94.7Very high140 Ų14049.7 Ų49.761%0.60926%0.259SS*.  trans-66125.5177-175.9178.5178.6-179.30109.9L104 G105 S106 E107 L111L104-K109 CarbonylContact C-O 3.59Å; L104-K109 WeakPolarHBondContact CA-O 3.26Å; G105-K109 PolarHBondContact N-O 3.43Å; S106-K109 WeakPolarHBondContact O-CB 3.46Å; S106-K109 PolarHBondContact O-N 2.79Å; S106-K109 VanDerWaalsContact O-N 3.15Å; E107-K109 PolarHBondContact O-N 2.82Å; K109-L111 HydrophobicContact CD-CD2 4.3Å; K109-L111 HydrophobicContact CG-CD2 4.33Å; K109-L111 PolarHBondContact O-N 2.89Å
110V98Very high93.3Very high32 Ų3257.1 Ų57.119%0.19429%0.294CS..EExtended strand (participates in β ladder)trans-76.1108.1176.5-176.90000109.7V32 I102 K103 L104 D108 G112 R113V32-V110 HydrophobicContact CG1-CG1 4.4Å; V32-V110 HydrophobicContact CG1-CG2 4.09Å; V32-V110 HydrophobicContact CG2-CG2 3.64Å; I102-V110 HydrophobicContact CG2-CG1 4.19Å; K103-V110 CarbonylContact O-C 3.47Å; L104-V110 HydrophobicContact CD2-CG2 4.05Å; D108-V110 PolarHBondContact O-N 2.85Å; V110-G112 WeakPolarHBondContact CG1-O 3.33Å; V110-R113 HydrophobicContact CG1-CB 4.1Å; V110-R113 HydrophobicContact CG1-CG 4.28Å
111L97.1Very high91.6Very high62 Ų6262.9 Ų62.933%0.32533%0.329SS..EExtended strand (participates in β ladder)trans-82.8-29.7177.7-56.3-178.3000111.9A62 K103 K109 A141A62-L111 HydrophobicContact CB-CD1 4.28Å; A62-L111 WeakPolarHBondContact O-CD1 3.4Å; K103-L111 HydrophobicContact CB-CB 4.17Å; K103-L111 HydrophobicContact CG-CB 3.85Å; K103-L111 HydrophobicContact CG-CD1 4.08Å; K103-L111 HydrophobicContact CG-CG 4.4Å; K103-L111 PolarHBondContact O-N 2.92Å; K109-L111 HydrophobicContact CD-CD2 4.3Å; K109-L111 HydrophobicContact CG-CD2 4.33Å; K109-L111 PolarHBondContact O-N 2.89Å; L111-A141 HydrophobicContact CB-CB 4.23Å
112G97.4Very high89.6Confident15 Ų1568.8 Ų68.816%0.15536%0.357CS..EExtended strand (participates in β ladder)trans-161.8153.8178.200000110.7K103 V110 V138K103-G112 PolarHBondContact N-O 2.03Å; V110-G112 WeakPolarHBondContact CG1-O 3.33Å; G112-V138 VanDerWaalsContact C-CG1 3.48Å
113R97.7Very high87.7Confident121 Ų12173.8 Ų73.846%0.45739%0.387SS..EExtended strand (participates in β ladder)trans-153.3144.2178.256.8-174.7169.7-106.8-7.3111.5E36 C101 V110E36-R113 IonicContact OE2-NE 3.92Å; E36-R113 PolarHBondContact OE2-NE 3.44Å; C101-R113 CarbonylContact O-C 3.55Å; C101-R113 VanDerWaalsContact O-CA 3.31Å; C101-R113 WeakPolarHBondContact O-CA 3.21Å; V110-R113 HydrophobicContact CG1-CB 4.1Å; V110-R113 HydrophobicContact CG1-CG 4.28Å
114L96.8Very high85.9Confident28 Ų2879.6 Ų79.615%0.14742%0.418CS..EExtended strand (participates in β ladder)trans-132.4132.7165.5174.771.9000107.2A100 C101 Q134 V138A100-L114 CarbonylContact C-O 3.59Å; A100-L114 VanDerWaalsContact CA-O 3.26Å; A100-L114 WeakPolarHBondContact CA-O 3.29Å; C101-L114 HydrophobicContact CB-CB 4.28Å; C101-L114 PolarHBondContact N-O 2.88Å; C101-L114 PolarHBondContact O-N 3Å; L114-Q134 HydrophobicContact CD1-CB 4.23Å; L114-Q134 VanDerWaalsContact CD1-OE1 3.29Å; L114-Q134 HydrophobicContact CD2-CB 3.57Å; L114-Q134 HydrophobicContact CG-CB 4.46Å; L114-V138 HydrophobicContact CB-CG2 3.95Å
115V95.5Very high84Confident22 Ų2289.5 Ų89.513%0.13345%0.454CS..EExtended strand (participates in β ladder)trans-134.9119173.8-179.10000108A33 E36 A100A33-V115 HydrophobicContact CB-CG2 4.07Å; E36-V115 HydrophobicContact CB-CB 4.34Å; E36-V115 HydrophobicContact CB-CG2 3.87Å; E36-V115 HydrophobicContact CG-CB 4.34Å; E36-V115 HydrophobicContact CG-CG2 4.13Å; A100-V115 HydrophobicContact CB-CG2 4.22Å
116H92.6Very high82.2Confident60 Ų6096.7 Ų96.728%0.27849%0.485SS..EExtended strand (participates in β ladder)trans-127.2115.1-178.7-173.369.9000110C98 L99 P118 Q131C98-H116 CarbonylContact C-O 3.36Å; C98-H116 VanDerWaalsContact CA-O 3.25Å; C98-H116 WeakPolarHBondContact CA-O 3.46Å; L99-H116 PolarHBondContact N-O 3.45Å; L99-H116 PolarHBondContact O-N 3.11Å; H116-P118 VanDerWaalsContact CD2-CD 3.46Å; H116-P118 WeakPolarHBondContact CD2-CD 3.23Å; H116-P118 WeakPolarHBondContact NE2-CD 3.5Å; H116-P118 WeakPolarHBondContact NE2-CG 3.45Å; H116-Q131 PolarHBondContact CD2-NE2 3.21Å; H116-Q131 PolarHBondContact NE2-NE2 2.87Å; H116-Q131 VanDerWaalsContact NE2-NE2 3.1Å
117C92Very high81.2Confident19 Ų1993.4 Ų93.413%0.12846%0.464CS..  trans-133.472.1-177.6-63.50000110.2F37 R96 C98F37-C117 HydrophobicContact CD2-CB 3.61Å; F37-C117 VanDerWaalsContact CD2-SG 3.52Å; F37-C117 HydrophobicContact CE2-CB 3.56Å; R96-C117 PolarHBondContact NH1-O 2.9Å; R96-C117 VanDerWaalsContact NH1-O 3.08Å; C98-C117 HydrophobicContact CB-CB 4.19Å; C98-C117 WeakPolarHBondContact CB-SG 3.35Å; C98-C117 WeakPolarHBondContact SG-CB 3.06Å; C98-C117 CovalentContact SG-SG 2.04Å; C98-C117 PolarHBondContact SG-SG 3.48Å
118P87.2Confident80.5Confident41 Ų4188.6 Ų88.627%0.26644%0.442SS..  trans-64.9162.1-171.227.7-32.5000111.5R96 K97 H116R96-P118 WeakPolarHBondContact CD-O 3.45Å; R96-P118 PolarHBondContact NH1-O 3.13Å; K97-P118 WeakPolarHBondContact O-CD 3.05Å; H116-P118 VanDerWaalsContact CD2-CD 3.46Å; H116-P118 WeakPolarHBondContact CD2-CD 3.23Å; H116-P118 WeakPolarHBondContact NE2-CD 3.5Å; H116-P118 WeakPolarHBondContact NE2-CG 3.45Å
119I81.1Confident80.1Confident91 Ų9191.5 Ų91.547%0.46745%0.452SS..  trans-74.5129.9162.8-36.3-162.1000104.7R96 T121 Q122R96-I119 VanDerWaalsContact NH1-CA 3.32Å; I119-T121 PolarHBondContact O-N 3.48Å; I119-Q122 PolarHBondContact O-N 3.01Å
120E67.4Low79.6Confident171 Ų17189.9 Ų89.980%0.79945%0.447SS*.THydrogen-bonded Turntrans-49.1-15.9-173-164.9167.7-165.800114.7Q122E120-Q122 VanDerWaalsContact C-N 3.29Å; E120-Q122 PolarHBondContact O-N 3.47Å
121T61.4Low79.1Confident121 Ų12189.5 Ų89.574%0.74244%0.443SS*.THydrogen-bonded Turntrans-745.3178.346.90000116.5I119I119-T121 PolarHBondContact O-N 3.48Å
122Q58.6Low78.9Confident123 Ų12390.2 Ų90.258%0.57545%0.445SS*.SBendtrans-125.9112.6-170.3-67.5-178.1-19.500114.8I119 E120 L124I119-Q122 PolarHBondContact O-N 3.01Å; E120-Q122 VanDerWaalsContact C-N 3.29Å; E120-Q122 PolarHBondContact O-N 3.47Å; Q122-L124 PolarHBondContact O-N 3.39Å
123V57.8Low78.6Confident106 Ų10692.3 Ų92.364%0.64245%0.454SS*.  trans36.979.4144.2-164.40000115.7A127V123-A127 WeakPolarHBondContact O-CB 3.46Å
124L59.7Low78.5Confident122 Ų12289.2 Ų89.264%0.63945%0.445SS*.Hα-helixtrans-62.6-51.9-175.4-84.4110.3000114.2Q122 E128Q122-L124 PolarHBondContact O-N 3.39Å; L124-E128 WeakPolarHBondContact CD2-OE1 3.24Å; L124-E128 WeakPolarHBondContact O-CB 3.35Å; L124-E128 WeakPolarHBondContact O-CG 3.38Å; L124-E128 PolarHBondContact O-N 3.15Å
125R59.4Low78.6Confident212 Ų21288 Ų8880%0.844%0.439SS*.Hα-helixtrans-76.8-49.9-158-68.4-174.969.5179.50.6115.6A127 E128 E129R125-A127 PolarHBondContact O-N 3.46Å; R125-E128 PolarHBondContact O-N 3.35Å; R125-E129 PolarHBondContact O-N 2.98Å
126E58.4Low78.5Confident162 Ų16290.8 Ų90.876%0.75745%0.453SS*.Hα-helixtrans-67.2-29.5178.2-69.6178.4-175.400111.4H130E126-H130 PolarHBondContact O-N 3.5Å
127A71.9Confident78.7Confident31 Ų3196.1 Ų96.126%0.25647%0.47SS..Hα-helixtrans-69.3-37.1175.200000111.8V123 R125 H130 Q131V123-A127 WeakPolarHBondContact O-CB 3.46Å; R125-A127 PolarHBondContact O-N 3.46Å; A127-H130 PolarHBondContact O-N 3.05Å; A127-Q131 WeakPolarHBondContact O-CB 3.39Å; A127-Q131 VanDerWaalsContact O-CD 3.27Å; A127-Q131 WeakPolarHBondContact O-CG 3.5Å; A127-Q131 PolarHBondContact O-N 3.18Å; A127-Q131 PolarHBondContact O-NE2 2.84Å
128E75.8Confident78.9Confident92 Ų9295.9 Ų95.943%0.4347%0.469SS..Hα-helixtrans-62.3-49.3179.3-81164.2-172.100112.8L124 R125 H130 Q131 E132L124-E128 WeakPolarHBondContact CD2-OE1 3.24Å; L124-E128 WeakPolarHBondContact O-CB 3.35Å; L124-E128 WeakPolarHBondContact O-CG 3.38Å; L124-E128 PolarHBondContact O-N 3.15Å; R125-E128 PolarHBondContact O-N 3.35Å; E128-H130 VanDerWaalsContact C-N 3.31Å; E128-H130 PolarHBondContact O-N 2.78Å; E128-Q131 WeakPolarHBondContact O-CB 3.16Å; E128-Q131 PolarHBondContact O-N 2.82Å; E128-Q131 VanDerWaalsContact O-N 3.13Å; E128-E132 PolarHBondContact O-N 3.49Å
129E79.7Confident79.4Confident150 Ų15096 Ų9670%0.70147%0.465SS*.Hα-helixtrans-63.3-40.1179.5-173.9-179.3174.800111.6R125 Q131 E132 T133R125-E129 PolarHBondContact O-N 2.98Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 2.83Å; E129-E132 PolarHBondContact O-N 3.11Å; E129-T133 WeakPolarHBondContact O-CB 3.41Å; E129-T133 PolarHBondContact O-N 3.36Å; E129-T133 PolarHBondContact O-OG1 3.2Å
130H86Confident80Confident107 Ų107100.2 Ų100.250%0.49548%0.476SS..Hα-helixtrans-63.2-40.9175-166.675.4000111.5E126 A127 E128 T133 Q134E126-H130 PolarHBondContact O-N 3.5Å; A127-H130 PolarHBondContact O-N 3.05Å; E128-H130 VanDerWaalsContact C-N 3.31Å; E128-H130 PolarHBondContact O-N 2.78Å; H130-T133 PolarHBondContact O-N 2.8Å; H130-Q134 PolarHBondContact CD2-NE2 3.17Å; H130-Q134 PolarHBondContact NE2-NE2 2.82Å; H130-Q134 VanDerWaalsContact O-CG 3.29Å; H130-Q134 WeakPolarHBondContact O-CG 3.43Å; H130-Q134 PolarHBondContact O-N 2.84Å
131Q88.4Confident81.4Confident24 Ų2493.1 Ų93.111%0.11245%0.446CS..Hα-helixtrans-64.8-44.9176.9-75.7162.538.100112.1L99 H116 A127 E128 E129 T133 Q134 C135L99-Q131 HydrophobicContact CD2-CB 3.89Å; L99-Q131 HydrophobicContact CD2-CG 4.49Å; H116-Q131 PolarHBondContact CD2-NE2 3.21Å; H116-Q131 PolarHBondContact NE2-NE2 2.87Å; H116-Q131 VanDerWaalsContact NE2-NE2 3.1Å; A127-Q131 WeakPolarHBondContact O-CB 3.39Å; A127-Q131 VanDerWaalsContact O-CD 3.27Å; A127-Q131 WeakPolarHBondContact O-CG 3.5Å; A127-Q131 PolarHBondContact O-N 3.18Å; A127-Q131 PolarHBondContact O-NE2 2.84Å; E128-Q131 WeakPolarHBondContact O-CB 3.16Å; E128-Q131 PolarHBondContact O-N 2.82Å; E128-Q131 VanDerWaalsContact O-N 3.13Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 2.83Å; Q131-T133 VanDerWaalsContact C-N 3.33Å; Q131-T133 PolarHBondContact O-N 2.84Å; Q131-Q134 CarbonylContact O-C 3.58Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 PolarHBondContact O-N 2.95Å; Q131-Q134 VanDerWaalsContact O-N 3.11Å; Q131-C135 PolarHBondContact O-N 3.17Å
132E91.7Very high82.8Confident77 Ų7790.1 Ų90.136%0.3644%0.439SS..Hα-helixtrans-63.7-41.2178-72.1-60.416200111.1R67 E128 E129 Q134 C135 L136R67-E132 IonicContact CZ-OE1 2.77Å; R67-E132 IonicContact NE-OE1 3.55Å; R67-E132 PolarHBondContact NE-OE1 3.26Å; R67-E132 IonicContact NE-OE2 2.94Å; R67-E132 IonicContact NH2-OE1 3.33Å; R67-E132 PolarHBondContact NH2-OE1 2.8Å; E128-E132 PolarHBondContact O-N 3.49Å; E129-E132 PolarHBondContact O-N 3.11Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 3.05Å; E132-C135 WeakPolarHBondContact O-CB 3.45Å; E132-C135 PolarHBondContact O-N 3.48Å; E132-C135 VanDerWaalsContact O-N 3.17Å; E132-L136 WeakPolarHBondContact O-CG 3.13Å; E132-L136 PolarHBondContact O-N 3.35Å
133T92.8Very high84.4Confident58 Ų5885.8 Ų85.836%0.35642%0.419SS..Hα-helixtrans-59.5-40.2172.8-600000111.8E129 H130 Q131 L136 R137E129-T133 WeakPolarHBondContact O-CB 3.41Å; E129-T133 PolarHBondContact O-N 3.36Å; E129-T133 PolarHBondContact O-OG1 3.2Å; H130-T133 PolarHBondContact O-N 2.8Å; Q131-T133 VanDerWaalsContact C-N 3.33Å; Q131-T133 PolarHBondContact O-N 2.84Å; T133-L136 PolarHBondContact O-N 2.88Å; T133-R137 WeakPolarHBondContact O-CG 3.18Å; T133-R137 PolarHBondContact O-N 3.48Å
134Q95.1Very high85.5Confident56 Ų5684.7 Ų84.726%0.26241%0.409SS..Hα-helixtrans-67.9-40.2175.4-72.2179.2-19.100112.1L114 H130 Q131 E132 L136 R137 V138L114-Q134 HydrophobicContact CD1-CB 4.23Å; L114-Q134 VanDerWaalsContact CD1-OE1 3.29Å; L114-Q134 HydrophobicContact CD2-CB 3.57Å; L114-Q134 HydrophobicContact CG-CB 4.46Å; H130-Q134 PolarHBondContact CD2-NE2 3.17Å; H130-Q134 PolarHBondContact NE2-NE2 2.82Å; H130-Q134 VanDerWaalsContact O-CG 3.29Å; H130-Q134 WeakPolarHBondContact O-CG 3.43Å; H130-Q134 PolarHBondContact O-N 2.84Å; Q131-Q134 CarbonylContact O-C 3.58Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 PolarHBondContact O-N 2.95Å; Q131-Q134 VanDerWaalsContact O-N 3.11Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 3.05Å; Q134-L136 VanDerWaalsContact C-N 3.34Å; Q134-L136 PolarHBondContact O-N 3.18Å; Q134-R137 WeakPolarHBondContact O-CB 3.37Å; Q134-R137 PolarHBondContact O-N 3.35Å; Q134-R137 VanDerWaalsContact O-N 3.17Å; Q134-V138 PolarHBondContact O-N 3.37Å
135C97.5Very high85.9Confident3 Ų383.5 Ų83.52%0.0241%0.409CS..Hα-helixtrans-60.3-42.6173.5-77.80000111.9F65 C101 Q131 E132 R137 V138 Q139F65-C135 HydrophobicContact CZ-CB 4.36Å; C101-C135 HydrophobicContact CB-CB 3.77Å; C101-C135 WeakPolarHBondContact CB-SG 3.46Å; C101-C135 WeakPolarHBondContact SG-CB 3.5Å; C101-C135 CovalentContact SG-SG 2.03Å; C101-C135 PolarHBondContact SG-SG 2.98Å; Q131-C135 PolarHBondContact O-N 3.17Å; E132-C135 WeakPolarHBondContact O-CB 3.45Å; E132-C135 PolarHBondContact O-N 3.48Å; E132-C135 VanDerWaalsContact O-N 3.17Å; C135-R137 VanDerWaalsContact C-N 3.28Å; C135-R137 PolarHBondContact O-N 3.01Å; C135-V138 WeakPolarHBondContact O-CB 3.18Å; C135-V138 PolarHBondContact O-N 3.02Å; C135-V138 VanDerWaalsContact O-N 3.11Å; C135-Q139 PolarHBondContact O-N 3.18Å
136L95.3Very high86.3Confident81 Ų8180.2 Ų80.242%0.42440%0.402SS..Hα-helixtrans-61.9-34.4174.9-70.6174000112.5E132 T133 Q134 Q139 R140E132-L136 WeakPolarHBondContact O-CG 3.13Å; E132-L136 PolarHBondContact O-N 3.35Å; T133-L136 PolarHBondContact O-N 2.88Å; Q134-L136 VanDerWaalsContact C-N 3.34Å; Q134-L136 PolarHBondContact O-N 3.18Å; L136-Q139 PolarHBondContact O-N 2.63Å; L136-R140 WeakPolarHBondContact O-CG 3.41Å; L136-R140 PolarHBondContact O-N 2.85Å
137R95Very high86.5Confident171 Ų17175.4 Ų75.465%0.64539%0.387SS*.Hα-helixtrans-66.3-43.1172.6-68.2174.1-172.7178.82.1111.5T133 Q134 C135 Q139 R140 A141T133-R137 WeakPolarHBondContact O-CG 3.18Å; T133-R137 PolarHBondContact O-N 3.48Å; Q134-R137 WeakPolarHBondContact O-CB 3.37Å; Q134-R137 PolarHBondContact O-N 3.35Å; Q134-R137 VanDerWaalsContact O-N 3.17Å; C135-R137 VanDerWaalsContact C-N 3.28Å; C135-R137 PolarHBondContact O-N 3.01Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; R137-R140 PolarHBondContact O-N 3.36Å; R137-A141 PolarHBondContact O-N 3.44Å
138V97.9Very high86Confident15 Ų1579.9 Ų79.99%0.09140%0.401CS..Hα-helixtrans-63.1-41.9175.4174.50000111.2F65 C101 K103 G112 L114 Q134 C135 R140 A141F65-V138 HydrophobicContact CD2-CG1 4.43Å; F65-V138 HydrophobicContact CE2-CB 4.31Å; F65-V138 HydrophobicContact CE2-CG1 4.06Å; C101-V138 WeakPolarHBondContact O-CG1 3.46Å; K103-V138 HydrophobicContact CB-CG1 4.02Å; K103-V138 WeakPolarHBondContact CB-O 3.41Å; G112-V138 VanDerWaalsContact C-CG1 3.48Å; L114-V138 HydrophobicContact CB-CG2 3.95Å; Q134-V138 PolarHBondContact O-N 3.37Å; C135-V138 WeakPolarHBondContact O-CB 3.18Å; C135-V138 PolarHBondContact O-N 3.02Å; C135-V138 VanDerWaalsContact O-N 3.11Å; V138-R140 PolarHBondContact O-N 3.33Å; V138-A141 WeakPolarHBondContact O-CB 3.4Å; V138-A141 PolarHBondContact O-N 3.16Å
139Q96.8Very high85.4Confident43 Ų4383.1 Ų83.120%0.20141%0.41CS..Hα-helixtrans-55.5-36.8178.1-175.4-175.4-76.800112.5F60 F65 K103 C135 L136 R137 A141F60-Q139 HydrophobicContact CD2-CG 4.23Å; F60-Q139 HydrophobicContact CE1-CG 4.15Å; F60-Q139 HydrophobicContact CE2-CG 3.39Å; F60-Q139 HydrophobicContact CZ-CG 3.38Å; F65-Q139 HydrophobicContact CB-CG 4.08Å; F65-Q139 HydrophobicContact CD1-CB 4.14Å; F65-Q139 HydrophobicContact CD1-CG 3.86Å; F65-Q139 VanDerWaalsContact CD2-CA 3.49Å; F65-Q139 HydrophobicContact CD2-CB 3.81Å; F65-Q139 HydrophobicContact CD2-CG 4.18Å; F65-Q139 HydrophobicContact CE1-CB 4.21Å; F65-Q139 HydrophobicContact CE1-CG 4.31Å; F65-Q139 HydrophobicContact CE2-CB 3.87Å; F65-Q139 HydrophobicContact CG-CB 3.92Å; F65-Q139 HydrophobicContact CG-CG 3.77Å; F65-Q139 HydrophobicContact CZ-CB 4.07Å; K103-Q139 WeakPolarHBondContact CE-O 3.5Å; K103-Q139 PolarHBondContact NZ-O 3.02Å; C135-Q139 PolarHBondContact O-N 3.18Å; L136-Q139 PolarHBondContact O-N 2.63Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; Q139-A141 VanDerWaalsContact C-N 3.31Å
140R94.6Very high84.7Confident180 Ų18082 Ų8268%0.67940%0.403SS*.THydrogen-bonded Turntrans-82.8-2.6178.7-65.6176.4-177.3179.91.2113.8L136 R137 V138 G142 E143L136-R140 WeakPolarHBondContact O-CG 3.41Å; L136-R140 PolarHBondContact O-N 2.85Å; R137-R140 PolarHBondContact O-N 3.36Å; V138-R140 PolarHBondContact O-N 3.33Å; R140-G142 PolarHBondContact O-N 3.33Å; R140-E143 WeakPolarHBondContact O-CB 3.21Å; R140-E143 PolarHBondContact O-N 3.24Å; R140-E143 VanDerWaalsContact O-N 3.16Å
141A95Very high83.9Confident21 Ų2182.5 Ų82.517%0.17442%0.415CS..THydrogen-bonded Turntrans-63.3130.7-178.300000111.2K103 L111 R137 V138 Q139 E143K103-A141 HydrophobicContact CB-CB 4.22Å; K103-A141 WeakPolarHBondContact CE-O 3.31Å; K103-A141 HydrophobicContact CG-CB 4.21Å; K103-A141 WeakPolarHBondContact CG-O 3.46Å; L111-A141 HydrophobicContact CB-CB 4.23Å; R137-A141 PolarHBondContact O-N 3.44Å; V138-A141 WeakPolarHBondContact O-CB 3.4Å; V138-A141 PolarHBondContact O-N 3.16Å; Q139-A141 VanDerWaalsContact C-N 3.31Å; A141-E143 PolarHBondContact O-N 3.16Å
142G92.5Very high83.1Confident58 Ų5884.7 Ų84.760%0.59845%0.445SS*.THydrogen-bonded Turntrans75.5-7.5-177.700000115.2A62 R140A62-G142 WeakPolarHBondContact CB-O 3.37Å; R140-G142 PolarHBondContact O-N 3.33Å
143E90.7Very high82.1Confident32 Ų3285.6 Ų85.615%0.1545%0.449CS..  trans-69.8134171.2-56.4-55.6150.700109.4F60 P61 A62 K103 R140 A141 P145F60-E143 WeakPolarHBondContact CB-OE1 3.43Å; P61-E143 WeakPolarHBondContact CD-OE2 3.46Å; A62-E143 VanDerWaalsContact CB-CD 3.45Å; A62-E143 HydrophobicContact CB-CG 4.4Å; A62-E143 WeakPolarHBondContact CB-OE1 3.43Å; A62-E143 PolarHBondContact N-OE1 3.16Å; A62-E143 PolarHBondContact N-OE2 2.88Å; A62-E143 VanDerWaalsContact N-OE2 3.16Å; K103-E143 WeakPolarHBondContact CE-OE1 3.35Å; K103-E143 IonicContact NZ-OE1 2.63Å; K103-E143 PolarHBondContact NZ-OE1 3.32Å; R140-E143 WeakPolarHBondContact O-CB 3.21Å; R140-E143 PolarHBondContact O-N 3.24Å; R140-E143 VanDerWaalsContact O-N 3.16Å; A141-E143 PolarHBondContact O-N 3.16Å; E143-P145 WeakPolarHBondContact O-CD 3.42Å
144D80.5Confident81.1Confident83 Ų8388.3 Ų88.344%0.44446%0.456SS..  trans-74.4118.9173172.414.2000109.1H146 S147D144-H146 PolarHBondContact O-N 2.88Å; D144-H146 VanDerWaalsContact O-N 3.08Å; D144-H146 WeakPolarHBondContact OD1-CB 3.45Å; D144-H146 IonicContact OD1-CD2 3.84Å; D144-H146 IonicContact OD1-CG 3.99Å; D144-H146 PolarHBondContact OD1-N 2.69Å; D144-S147 WeakPolarHBondContact O-CB 3.49Å; D144-S147 PolarHBondContact O-N 2.96Å; D144-S147 PolarHBondContact O-OG 3.04Å; D144-S147 PolarHBondContact OD2-N 3.4Å
145P69.1Low80.3Confident97 Ų9790.6 Ų90.663%0.6348%0.484SS*.THydrogen-bonded Turntrans-56.4-24.9176.8-22.733.3000113.5E143E143-P145 WeakPolarHBondContact O-CD 3.42Å
146H67.4Low79.5Confident144 Ų14499.2 Ų99.267%0.66752%0.522SS*.THydrogen-bonded Turntrans-96.4-2.9-179-58.2-60.7000114D144 F148D144-H146 PolarHBondContact O-N 2.88Å; D144-H146 VanDerWaalsContact O-N 3.08Å; D144-H146 WeakPolarHBondContact OD1-CB 3.45Å; D144-H146 IonicContact OD1-CD2 3.84Å; D144-H146 IonicContact OD1-CG 3.99Å; D144-H146 PolarHBondContact OD1-N 2.69Å; H146-F148 PolarHBondContact O-N 3.26Å
147S62.3Low78.8Confident61 Ų61101 Ų10143%0.42754%0.541SS..  trans-68.7-15.5176.462.70000113.4D144 Y149D144-S147 WeakPolarHBondContact O-CB 3.49Å; D144-S147 PolarHBondContact O-N 2.96Å; D144-S147 PolarHBondContact O-OG 3.04Å; D144-S147 PolarHBondContact OD2-N 3.4Å; S147-Y149 PolarHBondContact O-N 3.08Å
148F61.9Low78.3Confident125 Ų125102.7 Ų102.755%0.54855%0.553SS.*  trans-70.796.3169.5-62.7-77.2000109.1H146 F150H146-F148 PolarHBondContact O-N 3.26Å; F148-F150 HydrophobicContact CB-CD2 4.13Å; F148-F150 HydrophobicContact CB-CE1 4.35Å; F148-F150 HydrophobicContact CB-CE2 3.46Å; F148-F150 VanDerWaalsContact CB-CE2 3.46Å; F148-F150 HydrophobicContact CB-CZ 3.59Å; F148-F150 HydrophobicContact CG-CE2 4.48Å; F148-F150 HydrophobicContact CG-CZ 4.27Å; F148-F150 WeakPolarHBondContact O-CD2 3.18Å; F148-F150 PolarHBondContact O-N 3.04Å
149Y62.7Low77.6Confident160 Ų160106.1 Ų106.163%0.62758%0.583SS**  trans-65.4102.9165.9-177.1-95.5000108.6S147 F154S147-Y149 PolarHBondContact O-N 3.08Å; Y149-F154 HydrophobicContact CE2-CD2 4.17Å
150F64.7Low77Confident127 Ų127111.8 Ų111.856%0.55761%0.614SS**  trans-86.9122.5170.8-65.1-76.3000108.9F148 G152 Q153F148-F150 HydrophobicContact CB-CD2 4.13Å; F148-F150 HydrophobicContact CB-CE1 4.35Å; F148-F150 HydrophobicContact CB-CE2 3.46Å; F148-F150 VanDerWaalsContact CB-CE2 3.46Å; F148-F150 HydrophobicContact CB-CZ 3.59Å; F148-F150 HydrophobicContact CG-CE2 4.48Å; F148-F150 HydrophobicContact CG-CZ 4.27Å; F148-F150 WeakPolarHBondContact O-CD2 3.18Å; F148-F150 PolarHBondContact O-N 3.04Å; F150-G152 PolarHBondContact O-N 3.02Å; F150-Q153 HydrophobicContact CB-CB 4.45Å; F150-Q153 VanDerWaalsContact O-CB 3.31Å; F150-Q153 WeakPolarHBondContact O-CB 3.31Å; F150-Q153 PolarHBondContact O-N 3.19Å
151P70.3Confident76.5Confident116 Ų116109 Ų10975%0.75362%0.619SS**THydrogen-bonded Turntrans-51.3126.9170.8-23.932.8000110.1
152G71.1Confident75.7Confident71 Ų71119.8 Ų119.873%0.73266%0.655SS**THydrogen-bonded Turntrans92.5-4.4-17800000116F150 F154F150-G152 PolarHBondContact O-N 3.02Å; G152-F154 PolarHBondContact O-N 3.31Å
153Q70.1Confident74.6Confident95 Ų95126.2 Ų126.244%0.44469%0.691SS.*SBendtrans-63.8-26.8173.3-175176-7.300112.6F150F150-Q153 HydrophobicContact CB-CB 4.45Å; F150-Q153 VanDerWaalsContact O-CB 3.31Å; F150-Q153 WeakPolarHBondContact O-CB 3.31Å; F150-Q153 PolarHBondContact O-N 3.19Å
154F73.6Confident73.8Confident116 Ų116130.9 Ų130.951%0.50972%0.718SS.*  trans-123.7131.6176.4-54.8-80.6000109.7Y149 G152 F156Y149-F154 HydrophobicContact CE2-CD2 4.17Å; G152-F154 PolarHBondContact O-N 3.31Å; F154-F156 HydrophobicContact CB-CE2 3.89Å; F154-F156 HydrophobicContact CB-CZ 4.09Å
155A77.9Confident73.4Confident103 Ų103133.4 Ų133.485%0.85173%0.732SS**  trans-113.2122.7169.600000108.3
156F79.5Confident73.7Confident184 Ų184135.4 Ų135.481%0.80774%0.738SS**PPolyproline II helixtrans-99.5121.7176.7-60.7-86.9000108.9F154F154-F156 HydrophobicContact CB-CE2 3.89Å; F154-F156 HydrophobicContact CB-CZ 4.09Å
157S81.9Confident74Confident119 Ų119134.9 Ų134.983%0.83274%0.742SS**PPolyproline II helixtrans-104138.2169.358.60000109.8
158K83.4Confident74.8Confident207 Ų207139.6 Ų139.690%0.976%0.762SS**PPolyproline II helixtrans-84.1119.7173.5-167.3177.5-178.4-179.80108
159A83.6Confident75.6Confident87 Ų87140.5 Ų140.572%0.71978%0.776SS**PPolyproline II helixtrans-66.2144.6173.100000110.6
160L83.6Confident76.6Confident162 Ų162139.1 Ų139.185%0.84879%0.787SS**PPolyproline II helixtrans-65.6147.3169.2-72.4169.2000109.8R162L160-R162 PolarHBondContact O-N 3.43Å
161P84.3Confident77.5Confident120 Ų120140.1 Ų140.178%0.77980%0.804SS**PPolyproline II helixtrans-54.9140173.4-20.130.7000110.8S163P161-S163 PolarHBondContact O-N 3.5Å
162R77.7Confident78.1Confident249 Ų249142.1 Ų142.194%0.9481%0.809SS**PPolyproline II helixtrans-67.4127.2168.5-73.5-176166.4177.8-4.3108.5L160L160-R162 PolarHBondContact O-N 3.43Å
163S69.9Low78.7Confident192 Ų192148.5 Ų148.5100%1.34382%0.816SS**  trans-65.90170.652.60000112P161P161-S163 PolarHBondContact O-N 3.5Å

Retrieved 163 of 163 residues in 76.1 ms (Link to these results)