A0A087Y800_POEFO Loading...

BolA family member 2

AlphaFold DB , UniProt , Accession A0A087Y800, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 101 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
1M40.7Very low46.4Very low231 Ų231153.8 Ų153.8100%1.13875%0.752SS**  084.80-163.8165.386.600105.9
2L43.2Very low45.8Very low135 Ų135146.4 Ų146.471%0.70775%0.745SS**  46.1105.3105.1-93.7101.9000109.5
3L46.4Very low45.6Very low161 Ų161148.5 Ų148.584%0.84376%0.758SS**  -149.5119.666.2-69.1141000107.9
4L48.4Very low45.3Very low136 Ų136145.9 Ų145.971%0.71276%0.76SS**  38.791.561.7-66.8-179.8000113
5Y48.1Very low45.2Very low172 Ų172148.7 Ų148.768%0.67576%0.758SS**  trans-17883.4134.3-116-139.9000110.4E7Y5-E7 HydrophobicContact CD1-CB 3.66Å; Y5-E7 VanDerWaalsContact CD1-CD 3.41Å; Y5-E7 HydrophobicContact CD1-CG 3.59Å; Y5-E7 VanDerWaalsContact CD1-OE2 3.24Å; Y5-E7 WeakPolarHBondContact CD1-OE2 3.14Å; Y5-E7 HydrophobicContact CE1-CB 4.03Å; Y5-E7 HydrophobicContact CE1-CG 3.42Å; Y5-E7 VanDerWaalsContact CE1-CG 3.42Å; Y5-E7 WeakPolarHBondContact CE1-OE1 3.35Å; Y5-E7 WeakPolarHBondContact CE1-OE2 3.43Å; Y5-E7 HydrophobicContact CG-CB 4.3Å; Y5-E7 HydrophobicContact CG-CG 4.35Å; Y5-E7 PolarHBondContact O-N 2.72Å; Y5-E7 VanDerWaalsContact O-N 3.11Å; Y5-E7 PolarHBondContact OH-OE1 3.44Å
6Y44.5Very low45.6Very low218 Ų218148.8 Ų148.886%0.85576%0.757SS**  trans-78.276.7150.7-168.1-96.8000105.9S8Y6-S8 PolarHBondContact O-N 3.38Å
7E50.5Low46.7Very low108 Ų108143.9 Ų143.951%0.50574%0.744SS.*  trans-83.392.4169.9-124-173.3-179.200107.8Y5Y5-E7 HydrophobicContact CD1-CB 3.66Å; Y5-E7 VanDerWaalsContact CD1-CD 3.41Å; Y5-E7 HydrophobicContact CD1-CG 3.59Å; Y5-E7 VanDerWaalsContact CD1-OE2 3.24Å; Y5-E7 WeakPolarHBondContact CD1-OE2 3.14Å; Y5-E7 HydrophobicContact CE1-CB 4.03Å; Y5-E7 HydrophobicContact CE1-CG 3.42Å; Y5-E7 VanDerWaalsContact CE1-CG 3.42Å; Y5-E7 WeakPolarHBondContact CE1-OE1 3.35Å; Y5-E7 WeakPolarHBondContact CE1-OE2 3.43Å; Y5-E7 HydrophobicContact CG-CB 4.3Å; Y5-E7 HydrophobicContact CG-CG 4.35Å; Y5-E7 PolarHBondContact O-N 2.72Å; Y5-E7 VanDerWaalsContact O-N 3.11Å; Y5-E7 PolarHBondContact OH-OE1 3.44Å
8S43.2Very low48.7Very low81 Ų81137.3 Ų137.357%0.56671%0.711SS**  trans-122.465.3146.1-630000106.4Y6 T10Y6-S8 PolarHBondContact O-N 3.38Å; S8-T10 PolarHBondContact O-N 3.45Å
9H45.4Very low50.9Low145 Ų145133.1 Ų133.167%0.67170%0.695SS**  trans-67.281.9155.5-84.3102000107.8H11H9-H11 PolarHBondContact O-N 3.41Å
10T51Low53Low123 Ų123127.7 Ų127.776%0.75567%0.67SS**  trans-84.693.9146.253.90000106.2S8 G12S8-T10 PolarHBondContact O-N 3.45Å; T10-G12 PolarHBondContact O-N 3.25Å
11H49.3Very low54.9Low182 Ų182126.4 Ų126.484%0.84366%0.664SS**  trans-55.1111.1152.4-105.3116.5000106.9H9H9-H11 PolarHBondContact O-N 3.41Å
12G38.3Very low57.4Low65 Ų65118.1 Ų118.167%0.6762%0.623SS**  trans-177.559.2-178.100000109.9T10T10-G12 PolarHBondContact O-N 3.25Å
13L43.6Very low59.9Low174 Ų174111.7 Ų111.791%0.91159%0.589SS**  trans-55141.5167.5-81.1161.2000110.1
14S41.3Very low62.3Low112 Ų112109.1 Ų109.178%0.78357%0.568SS**  trans83.568157.1-168.50000118.2
15Y43.3Very low64.5Low188 Ų188108.4 Ų108.474%0.73756%0.561SS**  trans-129.372.5135.2-159.5-96.9000108.3A17Y15-A17 HydrophobicContact CD1-CB 4.08Å; Y15-A17 HydrophobicContact CE1-CB 3.78Å; Y15-A17 PolarHBondContact O-N 3.19Å
16M51.8Low66.8Low150 Ų150102.6 Ų102.674%0.73954%0.539SS*.  trans-65.7101.6152.3-72.2179.795.800104.1V18M16-V18 PolarHBondContact O-N 3.44Å
17A65.4Low69.3Low65 Ų6592.2 Ų92.254%0.53750%0.498SS..  trans-52.2110.2166.900000105.7Y15 S19Y15-A17 HydrophobicContact CD1-CB 4.08Å; Y15-A17 HydrophobicContact CE1-CB 3.78Å; Y15-A17 PolarHBondContact O-N 3.19Å; A17-S19 PolarHBondContact O-N 2.92Å
18V82.7Confident71.5Confident26 Ų2689.9 Ų89.916%0.15849%0.489CS..  trans-61.3111-177.1-179.60000106.5M16 I23 F50 E78 A81 I82M16-V18 PolarHBondContact O-N 3.44Å; V18-I23 HydrophobicContact CG1-CD1 3.67Å; V18-I23 HydrophobicContact CG1-CG1 3.6Å; V18-F50 VanDerWaalsContact O-CZ 3.23Å; V18-F50 WeakPolarHBondContact O-CZ 3.48Å; V18-E78 HydrophobicContact CG1-CB 4Å; V18-E78 HydrophobicContact CG1-CG 4.05Å; V18-E78 HydrophobicContact CG2-CB 4.06Å; V18-E78 HydrophobicContact CG2-CG 4.17Å; V18-A81 HydrophobicContact CG2-CB 4.14Å; V18-I82 HydrophobicContact CG1-CD1 4.13Å; V18-I82 HydrophobicContact CG1-CG1 4.43Å
19S90.1Very high74Confident56 Ų5693.6 Ų93.639%0.39250%0.495SS..  trans-95.2157-179.3690000110.8A17 D21 H22 I23A17-S19 PolarHBondContact O-N 2.92Å; S19-D21 VanDerWaalsContact C-N 3.29Å; S19-D21 PolarHBondContact O-N 3.19Å; S19-H22 PolarHBondContact O-N 3.47Å; S19-H22 WeakPolarHBondContact OG-CB 3.36Å; S19-H22 PolarHBondContact OG-N 2.67Å; S19-H22 VanDerWaalsContact OG-N 3.16Å; S19-I23 PolarHBondContact O-N 3.36Å; S19-I23 VanDerWaalsContact O-N 3.11Å
20A92.6Very high76.4Confident25 Ų2591.8 Ų91.821%0.20749%0.486CS..Hα-helixtrans-57.6-42.4175.100000111.9I23 R24 V38 F50A20-I23 PolarHBondContact O-N 3.45Å; A20-R24 VanDerWaalsContact O-CB 3.32Å; A20-R24 WeakPolarHBondContact O-CB 3.27Å; A20-R24 PolarHBondContact O-N 2.88Å; A20-V38 HydrophobicContact CB-CB 4.1Å; A20-V38 HydrophobicContact CB-CG1 3.66Å; A20-F50 HydrophobicContact CB-CE1 4.45Å
21D93.9Very high78.5Confident101 Ų10186.3 Ų86.354%0.5445%0.453SS..Hα-helixtrans-61.5-42.7175.8-78.2-72.2000112.8S19 I23 R24 E25S19-D21 VanDerWaalsContact C-N 3.29Å; S19-D21 PolarHBondContact O-N 3.19Å; D21-I23 PolarHBondContact O-N 3.11Å; D21-R24 WeakPolarHBondContact O-CB 3.45Å; D21-R24 PolarHBondContact O-N 3.49Å; D21-E25 WeakPolarHBondContact O-CG 3.44Å; D21-E25 PolarHBondContact O-N 3.07Å
22H93.3Very high80.7Confident58 Ų5884.3 Ų84.327%0.26944%0.444SS..Hα-helixtrans-61.7-46.4177.6176.280.4000111.6S19 R24 K26 E78S19-H22 PolarHBondContact O-N 3.47Å; S19-H22 WeakPolarHBondContact OG-CB 3.36Å; S19-H22 PolarHBondContact OG-N 2.67Å; S19-H22 VanDerWaalsContact OG-N 3.16Å; H22-R24 VanDerWaalsContact C-N 3.31Å; H22-R24 PolarHBondContact O-N 3.07Å; H22-K26 WeakPolarHBondContact O-CB 3.43Å; H22-K26 PolarHBondContact O-N 3.43Å; H22-K26 VanDerWaalsContact O-N 3.1Å; H22-E78 IonicContact CD2-OE1 2.74Å; H22-E78 IonicContact CE1-OE1 2.86Å; H22-E78 IonicContact NE2-OE1 2.68Å; H22-E78 PolarHBondContact NE2-OE1 3.19Å
23I94.6Very high83.5Confident0 Ų081.6 Ų81.60%042%0.415CS..Hα-helixtrans-58.6-46.6175-66.5170.4000110V18 S19 A20 D21 K26 L27 V38 F50 V52 L75 I82V18-I23 HydrophobicContact CG1-CD1 3.67Å; V18-I23 HydrophobicContact CG1-CG1 3.6Å; S19-I23 PolarHBondContact O-N 3.36Å; S19-I23 VanDerWaalsContact O-N 3.11Å; A20-I23 PolarHBondContact O-N 3.45Å; D21-I23 PolarHBondContact O-N 3.11Å; I23-K26 PolarHBondContact O-N 2.82Å; I23-L27 HydrophobicContact CG2-CD1 3.64Å; I23-L27 HydrophobicContact CG2-CG 4.36Å; I23-L27 WeakPolarHBondContact O-CB 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 3.1Å; I23-V38 HydrophobicContact CB-CG1 4.42Å; I23-V38 HydrophobicContact CB-CG2 4.44Å; I23-V38 HydrophobicContact CD1-CG1 4.46Å; I23-V38 HydrophobicContact CG2-CG1 4.38Å; I23-V38 HydrophobicContact CG2-CG2 4.05Å; I23-F50 HydrophobicContact CD1-CB 4.25Å; I23-F50 HydrophobicContact CD1-CD1 3.9Å; I23-F50 HydrophobicContact CD1-CD2 3.79Å; I23-F50 HydrophobicContact CD1-CE1 4.21Å; I23-F50 HydrophobicContact CD1-CE2 4.11Å; I23-F50 HydrophobicContact CD1-CG 3.68Å; I23-F50 HydrophobicContact CD1-CZ 4.31Å; I23-V52 HydrophobicContact CG2-CG2 4.15Å; I23-L75 HydrophobicContact CG2-CD1 3.94Å; I23-L75 HydrophobicContact CG2-CD2 4.33Å; I23-I82 HydrophobicContact CD1-CD1 4.06Å
24R96.4Very high86Confident106 Ų10678.1 Ų78.140%0.440%0.401SS..Hα-helixtrans-59.7-53.4-178.4-179177.3176.1-90.3-3.3111.9A20 D21 H22 K26 L27 I28 V36 V38A20-R24 VanDerWaalsContact O-CB 3.32Å; A20-R24 WeakPolarHBondContact O-CB 3.27Å; A20-R24 PolarHBondContact O-N 2.88Å; D21-R24 WeakPolarHBondContact O-CB 3.45Å; D21-R24 PolarHBondContact O-N 3.49Å; H22-R24 VanDerWaalsContact C-N 3.31Å; H22-R24 PolarHBondContact O-N 3.07Å; R24-K26 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 3Å; R24-L27 PolarHBondContact O-N 3Å; R24-I28 HydrophobicContact CG-CD1 3.85Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.27Å; R24-I28 PolarHBondContact O-N 3.35Å; R24-V36 HydrophobicContact CB-CG1 4.37Å; R24-V36 HydrophobicContact CG-CB 4.07Å; R24-V36 HydrophobicContact CG-CG1 4.09Å; R24-V36 PolarHBondContact NE-O 3.49Å; R24-V38 HydrophobicContact CB-CG2 3.84Å
25E95.8Very high88.6Confident121 Ų12176.2 Ų76.257%0.56538%0.379SS*.Hα-helixtrans-60.9-43.5-178.4-72.8-179.3177.100111.9D21 L27 I28 K29D21-E25 WeakPolarHBondContact O-CG 3.44Å; D21-E25 PolarHBondContact O-N 3.07Å; E25-L27 PolarHBondContact O-N 3.4Å; E25-I28 PolarHBondContact O-N 2.96Å; E25-K29 WeakPolarHBondContact O-CB 3.39Å; E25-K29 PolarHBondContact O-N 3.43Å
26K95.8Very high91.1Very high50 Ų5067.5 Ų67.522%0.21735%0.345CS..Hα-helixtrans-62.8-43.8178.8-165.5172.9-174.5-174.30111.6H22 I23 R24 K29 E30 C74 L75 E78H22-K26 WeakPolarHBondContact O-CB 3.43Å; H22-K26 PolarHBondContact O-N 3.43Å; H22-K26 VanDerWaalsContact O-N 3.1Å; I23-K26 PolarHBondContact O-N 2.82Å; R24-K26 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 3Å; K26-K29 PolarHBondContact O-N 2.98Å; K26-E30 HydrophobicContact CG-CG 4.25Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.32Å; K26-E30 PolarHBondContact O-N 3.1Å; K26-C74 WeakPolarHBondContact CE-O 3.32Å; K26-C74 PolarHBondContact NZ-O 2.83Å; K26-L75 HydrophobicContact CD-CD2 4.1Å; K26-E78 WeakPolarHBondContact CD-OE1 3.24Å; K26-E78 IonicContact NZ-OE1 2.83Å; K26-E78 PolarHBondContact NZ-OE1 3.34Å; K26-E78 IonicContact NZ-OE2 3.78Å; K26-E78 PolarHBondContact NZ-OE2 2.97Å
27L96.4Very high93.3Very high0 Ų064.6 Ų64.60%033%0.333CS..Hα-helixtrans-67.1-39.8177.4-68.7170.5000112.8I23 R24 E25 K29 L31 V36 V52 V54 V71 C74 L75I23-L27 HydrophobicContact CG2-CD1 3.64Å; I23-L27 HydrophobicContact CG2-CG 4.36Å; I23-L27 WeakPolarHBondContact O-CB 3.29Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 3.1Å; R24-L27 PolarHBondContact O-N 3Å; E25-L27 PolarHBondContact O-N 3.4Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-L31 HydrophobicContact CD2-CD1 3.69Å; L27-L31 WeakPolarHBondContact O-CB 3.38Å; L27-L31 PolarHBondContact O-N 2.92Å; L27-L31 VanDerWaalsContact O-N 3.1Å; L27-V36 HydrophobicContact CB-CG1 4.27Å; L27-V36 HydrophobicContact CB-CG2 4.07Å; L27-V36 HydrophobicContact CD1-CG1 3.97Å; L27-V52 HydrophobicContact CD1-CG1 3.63Å; L27-V54 HydrophobicContact CD1-CG2 3.87Å; L27-V71 HydrophobicContact CD2-CG1 3.89Å; L27-C74 HydrophobicContact CD2-CB 4.45Å; L27-L75 HydrophobicContact CD1-CD1 4.22Å; L27-L75 HydrophobicContact CD2-CD1 4.05Å; L27-L75 HydrophobicContact CD2-CD2 4.26Å; L27-L75 HydrophobicContact CD2-CG 4.04Å; L27-L75 HydrophobicContact CG-CD1 4.33Å; L27-L75 HydrophobicContact CG-CD2 4.28Å; L27-L75 HydrophobicContact CG-CG 4.5Å
28I96.6Very high94.7Very high59 Ų5962.5 Ų62.530%0.30331%0.313SS..Hα-helixtrans-59.3-47.4174.5-71168.9000110.2R24 E25 E32 A33 V36R24-I28 HydrophobicContact CG-CD1 3.85Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.27Å; R24-I28 PolarHBondContact O-N 3.35Å; E25-I28 PolarHBondContact O-N 2.96Å; I28-E32 VanDerWaalsContact O-CA 3.27Å; I28-E32 WeakPolarHBondContact O-CA 3.37Å; I28-E32 PolarHBondContact O-N 3.49Å; I28-A33 PolarHBondContact O-N 3.36Å; I28-V36 HydrophobicContact CG1-CB 4.11Å; I28-V36 HydrophobicContact CG1-CG2 3.66Å
29K96Very high95.3Very high159 Ų15965.9 Ų65.969%0.69133%0.328SS*.Hα-helixtrans-70-49.7-175.7-173.7-176.8175.9-169.30113E25 K26 L27E25-K29 WeakPolarHBondContact O-CB 3.39Å; E25-K29 PolarHBondContact O-N 3.43Å; K26-K29 PolarHBondContact O-N 2.98Å; L27-K29 VanDerWaalsContact C-N 3.33Å
30E95.6Very high95.4Very high107 Ų10767 Ų6750%0.533%0.329SS..Hα-helixtrans-84.3-28.8-170-62.4-62.4142.200113.2K26 C74K26-E30 HydrophobicContact CG-CG 4.25Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.32Å; K26-E30 PolarHBondContact O-N 3.1Å; E30-C74 VanDerWaalsContact CB-SG 3.57Å
31L95.6Very high95.3Very high9 Ų966 Ų665%0.04732%0.32CS..THydrogen-bonded Turntrans-105.27.6179.5-58.9175.4000112.9L27 A33 V54 S56 Q58 F59 M70 V71L27-L31 HydrophobicContact CD2-CD1 3.69Å; L27-L31 WeakPolarHBondContact O-CB 3.38Å; L27-L31 PolarHBondContact O-N 2.92Å; L27-L31 VanDerWaalsContact O-N 3.1Å; L31-A33 PolarHBondContact O-N 3.21Å; L31-A33 VanDerWaalsContact O-N 3.09Å; L31-V54 HydrophobicContact CD1-CG1 4.27Å; L31-S56 WeakPolarHBondContact O-CB 3.39Å; L31-S56 PolarHBondContact O-OG 3.45Å; L31-Q58 VanDerWaalsContact C-NE2 3.28Å; L31-Q58 PolarHBondContact O-NE2 2.97Å; L31-F59 HydrophobicContact CD1-CE1 4.44Å; L31-F59 HydrophobicContact CD1-CZ 4.07Å; L31-M70 HydrophobicContact CD2-CB 4.2Å; L31-M70 HydrophobicContact CD2-CE 4.26Å; L31-V71 HydrophobicContact CD1-CB 4.45Å; L31-V71 HydrophobicContact CD1-CG2 3.71Å
32E95.9Very high95Very high140 Ų14062.5 Ų62.565%0.65430%0.304SS*.THydrogen-bonded Turntrans48.139.9-174.9-60171.6108.700111.1I28 V34 Q58I28-E32 VanDerWaalsContact O-CA 3.27Å; I28-E32 WeakPolarHBondContact O-CA 3.37Å; I28-E32 PolarHBondContact O-N 3.49Å; E32-V34 PolarHBondContact O-N 3.39Å; E32-Q58 PolarHBondContact OE2-NE2 3.14Å
33A96Very high94.3Very high7 Ų765.1 Ų65.16%0.05833%0.326CS..  trans-72.2126.5-172.200000109.8I28 L31 H35 V36 V54 V55I28-A33 PolarHBondContact O-N 3.36Å; L31-A33 PolarHBondContact O-N 3.21Å; L31-A33 VanDerWaalsContact O-N 3.09Å; A33-H35 VanDerWaalsContact C-N 3.3Å; A33-V36 HydrophobicContact CB-CG2 3.45Å; A33-V36 VanDerWaalsContact CB-CG2 3.45Å; A33-V54 HydrophobicContact CB-CG1 3.81Å; A33-V55 CarbonylContact C-O 3.48Å; A33-V55 VanDerWaalsContact CA-O 3.27Å; A33-V55 WeakPolarHBondContact CA-O 3.36Å; A33-V55 WeakPolarHBondContact CB-O 3.22Å
34V96.4Very high93.5Very high102 Ų10272.5 Ų72.562%0.61836%0.361SS*.SBendtrans-77.2-22.3179.2-62.40000111.9E32 V55 P92E32-V34 PolarHBondContact O-N 3.39Å; V34-V55 HydrophobicContact CG2-CB 4.08Å; V34-V55 HydrophobicContact CG2-CG1 3.74Å; V34-V55 WeakPolarHBondContact CG2-O 3.46Å; V34-V55 PolarHBondContact N-O 3.22Å; V34-P92 HydrophobicContact CG2-CG 4.07Å
35H96Very high92.3Very high72 Ų7272.9 Ų72.933%0.33336%0.362SS..EExtended strand (participates in β ladder)trans-151.2133.7174.717979.5000109.6A33 V55 W95A33-H35 VanDerWaalsContact C-N 3.3Å; H35-V55 HydrophobicContact CB-CB 3.99Å; H35-V55 HydrophobicContact CB-CG2 4.03Å; H35-V55 PolarHBondContact N-O 2.79Å; H35-V55 PolarHBondContact O-N 3.36Å; H35-W95 AromaticContact CD2-CZ2 3.89Å; H35-W95 AromaticContact NE2-CZ2 3.73Å
36V96.9Very high91.3Very high4 Ų474.4 Ų74.42%0.02438%0.384CS..EExtended strand (participates in β ladder)trans-137.5126.2173.9-177.80000108.1R24 L27 I28 A33 V38 V52 L53 V54R24-V36 HydrophobicContact CB-CG1 4.37Å; R24-V36 HydrophobicContact CG-CB 4.07Å; R24-V36 HydrophobicContact CG-CG1 4.09Å; R24-V36 PolarHBondContact NE-O 3.49Å; L27-V36 HydrophobicContact CB-CG1 4.27Å; L27-V36 HydrophobicContact CB-CG2 4.07Å; L27-V36 HydrophobicContact CD1-CG1 3.97Å; I28-V36 HydrophobicContact CG1-CB 4.11Å; I28-V36 HydrophobicContact CG1-CG2 3.66Å; A33-V36 HydrophobicContact CB-CG2 3.45Å; A33-V36 VanDerWaalsContact CB-CG2 3.45Å; V36-V38 HydrophobicContact CG1-CG2 3.86Å; V36-V52 HydrophobicContact CG1-CG1 4.22Å; V36-L53 VanDerWaalsContact CA-O 3.32Å; V36-L53 WeakPolarHBondContact CA-O 3.44Å; V36-V54 HydrophobicContact CG2-CG1 4.21Å
37D96.8Very high90.6Very high89 Ų8973.8 Ų73.848%0.47639%0.388SS..EExtended strand (participates in β ladder)trans-117.1129.9173.2-173.550.8000108.4V52 L53D37-V52 CarbonylContact O-C 3.45Å; D37-V52 WeakPolarHBondContact O-CA 3.4Å; D37-L53 HydrophobicContact CB-CB 4.24Å; D37-L53 PolarHBondContact N-O 2.87Å; D37-L53 PolarHBondContact O-N 3.21Å
38V96.3Very high90.2Very high21 Ų2175.3 Ų75.313%0.12740%0.401CS..EExtended strand (participates in β ladder)trans-129.6113.6-176.8-175.40000108.1A20 I23 R24 V36 F50 V52A20-V38 HydrophobicContact CB-CB 4.1Å; A20-V38 HydrophobicContact CB-CG1 3.66Å; I23-V38 HydrophobicContact CB-CG1 4.42Å; I23-V38 HydrophobicContact CB-CG2 4.44Å; I23-V38 HydrophobicContact CD1-CG1 4.46Å; I23-V38 HydrophobicContact CG2-CG1 4.38Å; I23-V38 HydrophobicContact CG2-CG2 4.05Å; R24-V38 HydrophobicContact CB-CG2 3.84Å; V36-V38 HydrophobicContact CG1-CG2 3.86Å; V38-F50 HydrophobicContact CG1-CD1 4.03Å; V38-V52 HydrophobicContact CG1-CG2 4.1Å; V38-V52 HydrophobicContact CG2-CG1 4.24Å; V38-V52 HydrophobicContact CG2-CG2 4.27Å
39E94.7Very high89.9Confident98 Ų9872.5 Ų72.546%0.45839%0.387SS..EExtended strand (participates in β ladder)trans-101.6123.3176.1-177.8-178.690.500109.2T41 F50 K51E39-T41 HydrophobicContact CG-CG2 4.02Å; E39-T41 PolarHBondContact O-N 3.33Å; E39-T41 VanDerWaalsContact OE1-CG2 3.27Å; E39-T41 WeakPolarHBondContact OE1-CG2 3.18Å; E39-F50 WeakPolarHBondContact O-CA 2.82Å; E39-K51 HydrophobicContact CB-CB 4.29Å; E39-K51 PolarHBondContact N-O 2.74Å; E39-K51 PolarHBondContact O-N 3.45Å
40D92.4Very high89.8Confident78 Ų7865.1 Ų65.142%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-83102171.5-173.1-2.7000109.4S42 P43 F50D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 WeakPolarHBondContact OD1-CA 3.45Å; D40-S42 WeakPolarHBondContact OD1-CB 3.42Å; D40-S42 PolarHBondContact OD1-N 2.97Å; D40-S42 PolarHBondContact OD1-OG 3.44Å; D40-P43 VanDerWaalsContact O-CD 3.31Å; D40-P43 WeakPolarHBondContact O-CD 3.45Å; D40-F50 HydrophobicContact CB-CD1 4.27Å; D40-F50 HydrophobicContact CB-CE1 3.98Å
41T90.5Very high89.9Confident5 Ų564.5 Ų64.53%0.03135%0.35CS..  trans-92.49.1177.658.70000112E39 P43 E44 R45 S49 K51E39-T41 HydrophobicContact CG-CG2 4.02Å; E39-T41 PolarHBondContact O-N 3.33Å; E39-T41 VanDerWaalsContact OE1-CG2 3.27Å; E39-T41 WeakPolarHBondContact OE1-CG2 3.18Å; T41-P43 VanDerWaalsContact C-N 3.34Å; T41-E44 PolarHBondContact O-N 2.92Å; T41-R45 PolarHBondContact OG1-NH2 3.09Å; T41-S49 CarbonylContact C-O 3.57Å; T41-S49 PolarHBondContact N-O 2.83Å; T41-S49 VanDerWaalsContact OG1-C 3.22Å; T41-S49 VanDerWaalsContact OG1-CB 3.24Å; T41-S49 WeakPolarHBondContact OG1-CB 3.33Å; T41-S49 PolarHBondContact OG1-O 3.3Å; T41-K51 HydrophobicContact CG2-CB 4.19Å
42S86.6Confident89.9Confident27 Ų2764.1 Ų64.119%0.18935%0.348CS..G310 helixtrans-59.8-33.4175.3-49.70000113.3D40 E44 R45 A48 S49D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 WeakPolarHBondContact OD1-CA 3.45Å; D40-S42 WeakPolarHBondContact OD1-CB 3.42Å; D40-S42 PolarHBondContact OD1-N 2.97Å; D40-S42 PolarHBondContact OD1-OG 3.44Å; S42-E44 PolarHBondContact O-N 2.61Å; S42-R45 CarbonylContact O-C 3.55Å; S42-R45 PolarHBondContact O-N 3.02Å; S42-A48 WeakPolarHBondContact OG-CA 3.25Å; S42-S49 PolarHBondContact N-O 3.27Å; S42-S49 PolarHBondContact OG-N 2.87Å; S42-S49 PolarHBondContact OG-O 2.83Å
43P79.9Confident90Very high114 Ų11458.6 Ų58.674%0.7432%0.323SS*.G310 helixtrans-61.8-25.2176.9-23.934.7000113.9D40 T41D40-P43 VanDerWaalsContact O-CD 3.31Å; D40-P43 WeakPolarHBondContact O-CD 3.45Å; T41-P43 VanDerWaalsContact C-N 3.34Å
44E76.4Confident90.1Very high155 Ų15558.2 Ų58.272%0.72432%0.32SS*.G310 helixtrans-88.6-7.5179.2-58.8177.597.100112.5T41 S42T41-E44 PolarHBondContact O-N 2.92Å; S42-E44 PolarHBondContact O-N 2.61Å
45R71.6Confident90.1Very high114 Ų11453.4 Ų53.443%0.4329%0.291SS..SBendtrans-130.5156-176.9-68.1-161.5-95.7-91.30.5111.3T41 S42 A47 S49T41-R45 PolarHBondContact OG1-NH2 3.09Å; S42-R45 CarbonylContact O-C 3.55Å; S42-R45 PolarHBondContact O-N 3.02Å; R45-A47 PolarHBondContact O-N 2.93Å; R45-A47 VanDerWaalsContact O-N 3.13Å; R45-S49 WeakPolarHBondContact CD-OG 3.42Å; R45-S49 PolarHBondContact NE-OG 2.82Å
46C75Confident90.2Very high153 Ų15350 Ų50100%1.03428%0.275SS*.SBendtrans-72.8-0.8175.2-74.50000113.9
47A81.9Confident90.2Very high36 Ų3652.5 Ų52.530%0.29830%0.296SS..SBendtrans-145157.4-171.200000112.5R45 S49 H83R45-A47 PolarHBondContact O-N 2.93Å; R45-A47 VanDerWaalsContact O-N 3.13Å; A47-S49 PolarHBondContact O-N 3.03Å; A47-S49 VanDerWaalsContact O-N 3.15Å; A47-S49 PolarHBondContact O-OG 2.82Å; A47-H83 HydrophobicContact CB-CB 3.58Å
48A86.1Confident90.2Very high33 Ų3351.1 Ų51.127%0.27329%0.287SS..  trans-51.8117.3-179.100000111.4S42 F50 H83 A84S42-A48 WeakPolarHBondContact OG-CA 3.25Å; A48-F50 HydrophobicContact CB-CE2 4.45Å; A48-H83 PolarHBondContact O-N 3.4Å; A48-A84 PolarHBondContact O-N 2.87Å
49S91.3Very high90.2Very high0 Ų050.1 Ų50.10%028%0.281CS..EExtended strand (participates in β ladder)trans-143.2125.2-170.9-63.10000111.7T41 S42 R45 A47 A84T41-S49 CarbonylContact C-O 3.57Å; T41-S49 PolarHBondContact N-O 2.83Å; T41-S49 VanDerWaalsContact OG1-C 3.22Å; T41-S49 VanDerWaalsContact OG1-CB 3.24Å; T41-S49 WeakPolarHBondContact OG1-CB 3.33Å; T41-S49 PolarHBondContact OG1-O 3.3Å; S42-S49 PolarHBondContact N-O 3.27Å; S42-S49 PolarHBondContact OG-N 2.87Å; S42-S49 PolarHBondContact OG-O 2.83Å; R45-S49 WeakPolarHBondContact CD-OG 3.42Å; R45-S49 PolarHBondContact NE-OG 2.82Å; A47-S49 PolarHBondContact O-N 3.03Å; A47-S49 VanDerWaalsContact O-N 3.15Å; A47-S49 PolarHBondContact O-OG 2.82Å; S49-A84 CarbonylContact C-O 3.46Å; S49-A84 VanDerWaalsContact CA-O 3.25Å; S49-A84 WeakPolarHBondContact CA-O 3.34Å
50F94.7Very high90.3Very high4 Ų451.9 Ų51.92%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-125.8143.7-177.8-62.3-82000111.6V18 A20 I23 V38 E39 D40 A48 V52 I82 A84 F85 E86V18-F50 VanDerWaalsContact O-CZ 3.23Å; V18-F50 WeakPolarHBondContact O-CZ 3.48Å; A20-F50 HydrophobicContact CB-CE1 4.45Å; I23-F50 HydrophobicContact CD1-CB 4.25Å; I23-F50 HydrophobicContact CD1-CD1 3.9Å; I23-F50 HydrophobicContact CD1-CD2 3.79Å; I23-F50 HydrophobicContact CD1-CE1 4.21Å; I23-F50 HydrophobicContact CD1-CE2 4.11Å; I23-F50 HydrophobicContact CD1-CG 3.68Å; I23-F50 HydrophobicContact CD1-CZ 4.31Å; V38-F50 HydrophobicContact CG1-CD1 4.03Å; E39-F50 WeakPolarHBondContact O-CA 2.82Å; D40-F50 HydrophobicContact CB-CD1 4.27Å; D40-F50 HydrophobicContact CB-CE1 3.98Å; A48-F50 HydrophobicContact CB-CE2 4.45Å; F50-V52 HydrophobicContact CB-CG2 4.43Å; F50-I82 HydrophobicContact CD2-CD1 3.76Å; F50-I82 HydrophobicContact CD2-CG1 3.78Å; F50-I82 HydrophobicContact CD2-CG2 3.94Å; F50-I82 HydrophobicContact CE2-CD1 4.19Å; F50-I82 HydrophobicContact CE2-CG1 3.89Å; F50-A84 PolarHBondContact N-O 2.86Å; F50-F85 HydrophobicContact CB-CD2 4.15Å; F50-F85 HydrophobicContact CB-CE2 4.47Å; F50-F85 WeakPolarHBondContact O-CA 3.27Å; F50-E86 PolarHBondContact O-N 2.8Å
51K95.9Very high90.4Very high93 Ų9352 Ų5240%0.40431%0.309SS..EExtended strand (participates in β ladder)trans-116127.2166.8176.8172.4179.41450108.6E39 T41 E86E39-K51 HydrophobicContact CB-CB 4.29Å; E39-K51 PolarHBondContact N-O 2.74Å; E39-K51 PolarHBondContact O-N 3.45Å; T41-K51 HydrophobicContact CG2-CB 4.19Å; K51-E86 CarbonylContact C-O 3.58Å; K51-E86 WeakPolarHBondContact CA-O 3.05Å; K51-E86 HydrophobicContact CB-CB 4.35Å; K51-E86 WeakPolarHBondContact CD-OE1 3.35Å; K51-E86 WeakPolarHBondContact CE-OE1 3.37Å; K51-E86 HydrophobicContact CG-CB 4.27Å; K51-E86 HydrophobicContact CG-CG 4.34Å; K51-E86 IonicContact NZ-OE1 2.67Å; K51-E86 PolarHBondContact NZ-OE1 3.16Å
52V97Very high90.7Very high1 Ų154.6 Ų54.61%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-127.1130.2-172.1-176.20000110.8I23 L27 V36 D37 V38 F50 V54 F85 E86 Q87 K88I23-V52 HydrophobicContact CG2-CG2 4.15Å; L27-V52 HydrophobicContact CD1-CG1 3.63Å; V36-V52 HydrophobicContact CG1-CG1 4.22Å; D37-V52 CarbonylContact O-C 3.45Å; D37-V52 WeakPolarHBondContact O-CA 3.4Å; V38-V52 HydrophobicContact CG1-CG2 4.1Å; V38-V52 HydrophobicContact CG2-CG1 4.24Å; V38-V52 HydrophobicContact CG2-CG2 4.27Å; F50-V52 HydrophobicContact CB-CG2 4.43Å; V52-V54 HydrophobicContact CG1-CG2 3.51Å; V52-F85 HydrophobicContact CB-CE2 4.26Å; V52-F85 HydrophobicContact CB-CZ 4.09Å; V52-F85 HydrophobicContact CG2-CD2 4.38Å; V52-F85 HydrophobicContact CG2-CE2 3.42Å; V52-F85 VanDerWaalsContact CG2-CE2 3.42Å; V52-F85 HydrophobicContact CG2-CZ 3.74Å; V52-E86 PolarHBondContact N-O 3.11Å; V52-Q87 CarbonylContact O-C 3.56Å; V52-Q87 VanDerWaalsContact O-CA 3.25Å; V52-Q87 WeakPolarHBondContact O-CA 3.37Å; V52-K88 PolarHBondContact O-N 3.39Å
53L97.4Very high91.2Very high24 Ų2457.3 Ų57.313%0.12634%0.337CS..EExtended strand (participates in β ladder)trans-108.1121.6165.8-179.7115.4000108.9V36 D37 V55 K88 L90 W95V36-L53 VanDerWaalsContact CA-O 3.32Å; V36-L53 WeakPolarHBondContact CA-O 3.44Å; D37-L53 HydrophobicContact CB-CB 4.24Å; D37-L53 PolarHBondContact N-O 2.87Å; D37-L53 PolarHBondContact O-N 3.21Å; L53-V55 HydrophobicContact CD2-CG2 4Å; L53-K88 WeakPolarHBondContact CA-O 3.35Å; L53-K88 HydrophobicContact CD1-CB 4.15Å; L53-K88 HydrophobicContact CD1-CD 3.89Å; L53-K88 HydrophobicContact CD1-CG 4.06Å; L53-L90 HydrophobicContact CD1-CD1 3.88Å; L53-W95 HydrophobicContact CD1-CE3 4.44Å; L53-W95 HydrophobicContact CD1-CH2 4.46Å; L53-W95 HydrophobicContact CD1-CZ3 3.86Å; L53-W95 HydrophobicContact CD2-CD2 4.43Å; L53-W95 HydrophobicContact CD2-CE3 4.04Å; L53-W95 HydrophobicContact CD2-CH2 3.5Å; L53-W95 HydrophobicContact CD2-CZ2 3.94Å; L53-W95 HydrophobicContact CD2-CZ3 3.56Å; L53-W95 HydrophobicContact CG-CZ3 4.36Å
54V97.8Very high91.9Very high0 Ų056.6 Ų56.60%033%0.326CS..EExtended strand (participates in β ladder)trans-117.7124.7179.7-169.70000109.3L27 L31 A33 V36 V52 F59 V71 K88 T89 L90L27-V54 HydrophobicContact CD1-CG2 3.87Å; L31-V54 HydrophobicContact CD1-CG1 4.27Å; A33-V54 HydrophobicContact CB-CG1 3.81Å; V36-V54 HydrophobicContact CG2-CG1 4.21Å; V52-V54 HydrophobicContact CG1-CG2 3.51Å; V54-F59 HydrophobicContact CB-CE2 3.97Å; V54-F59 HydrophobicContact CB-CZ 4.24Å; V54-F59 HydrophobicContact CG1-CE2 3.72Å; V54-F59 HydrophobicContact CG1-CZ 3.83Å; V54-V71 HydrophobicContact CG2-CG2 4.47Å; V54-K88 PolarHBondContact N-O 3.1Å; V54-T89 WeakPolarHBondContact O-CA 3.34Å; V54-L90 PolarHBondContact O-N 3.18Å
55V97.6Very high92.9Very high0 Ų054.3 Ų54.30%032%0.319CS..EExtended strand (participates in β ladder)trans-112.1114.8174.2-170.70000108.9A33 V34 H35 L53 L90 P92 W95A33-V55 CarbonylContact C-O 3.48Å; A33-V55 VanDerWaalsContact CA-O 3.27Å; A33-V55 WeakPolarHBondContact CA-O 3.36Å; A33-V55 WeakPolarHBondContact CB-O 3.22Å; V34-V55 HydrophobicContact CG2-CB 4.08Å; V34-V55 HydrophobicContact CG2-CG1 3.74Å; V34-V55 WeakPolarHBondContact CG2-O 3.46Å; V34-V55 PolarHBondContact N-O 3.22Å; H35-V55 HydrophobicContact CB-CB 3.99Å; H35-V55 HydrophobicContact CB-CG2 4.03Å; H35-V55 PolarHBondContact N-O 2.79Å; H35-V55 PolarHBondContact O-N 3.36Å; L53-V55 HydrophobicContact CD2-CG2 4Å; V55-L90 VanDerWaalsContact CA-O 3.29Å; V55-L90 WeakPolarHBondContact CA-O 3.13Å; V55-L90 HydrophobicContact CG2-CB 4.41Å; V55-P92 HydrophobicContact CG1-CB 4.42Å; V55-P92 HydrophobicContact CG1-CG 4.24Å; V55-W95 HydrophobicContact CG1-CB 3.79Å; V55-W95 HydrophobicContact CG1-CG 4.16Å; V55-W95 HydrophobicContact CG2-CB 3.99Å; V55-W95 HydrophobicContact CG2-CD2 3.93Å; V55-W95 HydrophobicContact CG2-CE3 4.47Å; V55-W95 HydrophobicContact CG2-CG 3.71Å
56S97.8Very high94.1Very high1 Ų152.8 Ų52.81%0.00732%0.316CS..  trans-146.9142.7179.61750000111.6L31 Q58 F59 L90L31-S56 WeakPolarHBondContact O-CB 3.39Å; L31-S56 PolarHBondContact O-OG 3.45Å; S56-Q58 PolarHBondContact O-N 3.04Å; S56-Q58 WeakPolarHBondContact OG-CB 3.43Å; S56-Q58 PolarHBondContact OG-N 3.13Å; S56-F59 PolarHBondContact O-N 3.5Å; S56-L90 PolarHBondContact N-O 3.22Å
57A97Very high95.2Very high56 Ų5647.3 Ų47.346%0.46327%0.274SS..G310 helixtrans-64.8-25.5170.900000111.9F59 E60A57-F59 PolarHBondContact O-N 2.95Å; A57-E60 VanDerWaalsContact O-CB 3.24Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 3.41Å
58Q96.1Very high95.9Very high60 Ų6048 Ų4828%0.2827%0.271SS..G310 helixtrans-61.6-15.9177.5-64.7-162.627.400113.5L31 E32 S56 E60 K62 M70L31-Q58 VanDerWaalsContact C-NE2 3.28Å; L31-Q58 PolarHBondContact O-NE2 2.97Å; E32-Q58 PolarHBondContact OE2-NE2 3.14Å; S56-Q58 PolarHBondContact O-N 3.04Å; S56-Q58 WeakPolarHBondContact OG-CB 3.43Å; S56-Q58 PolarHBondContact OG-N 3.13Å; Q58-E60 VanDerWaalsContact C-N 3.34Å; Q58-K62 WeakPolarHBondContact O-CD 3.32Å; Q58-K62 WeakPolarHBondContact O-CE 3.46Å; Q58-M70 HydrophobicContact CB-CE 4Å
59F97Very high96.5Very high0 Ų053.8 Ų53.80%029%0.285CS..G310 helixtrans-83.5-8.6177.1-60.7-32.9000114.2L31 V54 S56 A57 K62 R67 M70 V71 T89 L90 T91L31-F59 HydrophobicContact CD1-CE1 4.44Å; L31-F59 HydrophobicContact CD1-CZ 4.07Å; V54-F59 HydrophobicContact CB-CE2 3.97Å; V54-F59 HydrophobicContact CB-CZ 4.24Å; V54-F59 HydrophobicContact CG1-CE2 3.72Å; V54-F59 HydrophobicContact CG1-CZ 3.83Å; S56-F59 PolarHBondContact O-N 3.5Å; A57-F59 PolarHBondContact O-N 2.95Å; F59-K62 PolarHBondContact O-N 3.2Å; F59-R67 HydrophobicContact CB-CG 3.88Å; F59-R67 HydrophobicContact CD1-CB 3.81Å; F59-R67 HydrophobicContact CD1-CG 3.79Å; F59-R67 HydrophobicContact CE1-CB 4.18Å; F59-R67 HydrophobicContact CG-CB 4.28Å; F59-R67 HydrophobicContact CG-CG 3.99Å; F59-R67 PolarHBondContact O-NE 3.24Å; F59-R67 PolarHBondContact O-NH2 3.28Å; F59-M70 HydrophobicContact CD1-CE 4.49Å; F59-M70 HydrophobicContact CD1-SD 4.49Å; F59-M70 HydrophobicContact CE1-CE 4.48Å; F59-V71 HydrophobicContact CE1-CG2 4.31Å; F59-V71 HydrophobicContact CZ-CG2 3.91Å; F59-T89 HydrophobicContact CE1-CG2 4.36Å; F59-T89 HydrophobicContact CE2-CG2 3.96Å; F59-T89 HydrophobicContact CZ-CG2 3.83Å; F59-L90 WeakPolarHBondContact CD2-O 3.25Å; F59-T91 HydrophobicContact CB-CG2 4.2Å
60E95.9Very high96.8Very high135 Ų13555.4 Ų55.463%0.63129%0.294SS*.THydrogen-bonded Turntrans-62.3138.6-179.9-169.1167.5-163.800111.7A57 Q58 K62 T91A57-E60 VanDerWaalsContact O-CB 3.24Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 3.41Å; Q58-E60 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 2.97Å; E60-T91 HydrophobicContact CB-CG2 4.27Å
61G95.8Very high96.9Very high81 Ų8155.2 Ų55.284%0.83529%0.293SS*.THydrogen-bonded Turntrans66.6-7.2-176.600000116
62K95.9Very high96.9Very high59 Ų5953.9 Ų53.926%0.25729%0.29SS..  trans-91.1139-179.5-61.8-179.2-169.1-87.40111.5Q58 F59 E60 Q66 R67 M70Q58-K62 WeakPolarHBondContact O-CD 3.32Å; Q58-K62 WeakPolarHBondContact O-CE 3.46Å; F59-K62 PolarHBondContact O-N 3.2Å; E60-K62 PolarHBondContact O-N 2.97Å; K62-Q66 HydrophobicContact CB-CB 4.33Å; K62-Q66 HydrophobicContact CB-CG 4.41Å; K62-Q66 HydrophobicContact CD-CG 4.2Å; K62-R67 HydrophobicContact CB-CG 4.07Å; K62-R67 PolarHBondContact O-NE 2.84Å; K62-R67 PolarHBondContact O-NH2 2.87Å; K62-M70 HydrophobicContact CD-CE 4.29Å; K62-M70 HydrophobicContact CD-SD 3.36Å; K62-M70 WeakPolarHBondContact CD-SD 3.31Å; K62-M70 VanDerWaalsContact CE-SD 3.59Å
63P96.8Very high96.9Very high84 Ų8461 Ų6155%0.54533%0.325SS..  trans-67.9157.2170.929.3-35000111.6L65 Q66 R67P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 3.22Å; P63-Q66 HydrophobicContact CG-CB 3.98Å; P63-Q66 WeakPolarHBondContact O-CB 3.32Å; P63-Q66 PolarHBondContact O-N 2.54Å; P63-R67 PolarHBondContact O-N 2.92Å
64L95.3Very high96.8Very high99 Ų9960.7 Ų60.752%0.51833%0.325SS..Hα-helixtrans-51.4-46.2-175.7-174.966.1000113.2Q66 R67 H68L64-Q66 VanDerWaalsContact C-N 3.28Å; L64-Q66 PolarHBondContact O-N 2.88Å; L64-R67 WeakPolarHBondContact O-CB 3.46Å; L64-R67 PolarHBondContact O-N 2.9Å; L64-R67 VanDerWaalsContact O-N 3.14Å; L64-H68 VanDerWaalsContact CD1-NE2 3.34Å; L64-H68 WeakPolarHBondContact CD1-NE2 3.43Å; L64-H68 PolarHBondContact O-N 3.49Å
65L96.9Very high96.7Very high108 Ų10860.7 Ų60.757%0.56533%0.325SS*.Hα-helixtrans-59.4-37.7179-179.562.4000112.6P63 R69P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 3.22Å; L65-R69 WeakPolarHBondContact O-CG 3.39Å; L65-R69 PolarHBondContact O-N 3.24Å
66Q97.4Very high96.5Very high82 Ų8263 Ų6338%0.38334%0.344SS..Hα-helixtrans-69-40.1178-173.7178.37.500111K62 P63 L64 R69 M70K62-Q66 HydrophobicContact CB-CB 4.33Å; K62-Q66 HydrophobicContact CB-CG 4.41Å; K62-Q66 HydrophobicContact CD-CG 4.2Å; P63-Q66 HydrophobicContact CG-CB 3.98Å; P63-Q66 WeakPolarHBondContact O-CB 3.32Å; P63-Q66 PolarHBondContact O-N 2.54Å; L64-Q66 VanDerWaalsContact C-N 3.28Å; L64-Q66 PolarHBondContact O-N 2.88Å; Q66-R69 PolarHBondContact O-N 3.34Å; Q66-M70 VanDerWaalsContact O-CG 3.32Å; Q66-M70 WeakPolarHBondContact O-CG 3.34Å; Q66-M70 PolarHBondContact O-N 2.68Å
67R97.8Very high96.2Very high38 Ų3869.6 Ų69.614%0.14338%0.375CS..Hα-helixtrans-61.5-46.6175.8-56.6172.3-172.9177.35.3111.2F59 K62 P63 L64 R69 M70 V71 T89F59-R67 HydrophobicContact CB-CG 3.88Å; F59-R67 HydrophobicContact CD1-CB 3.81Å; F59-R67 HydrophobicContact CD1-CG 3.79Å; F59-R67 HydrophobicContact CE1-CB 4.18Å; F59-R67 HydrophobicContact CG-CB 4.28Å; F59-R67 HydrophobicContact CG-CG 3.99Å; F59-R67 PolarHBondContact O-NE 3.24Å; F59-R67 PolarHBondContact O-NH2 3.28Å; K62-R67 HydrophobicContact CB-CG 4.07Å; K62-R67 PolarHBondContact O-NE 2.84Å; K62-R67 PolarHBondContact O-NH2 2.87Å; P63-R67 PolarHBondContact O-N 2.92Å; L64-R67 WeakPolarHBondContact O-CB 3.46Å; L64-R67 PolarHBondContact O-N 2.9Å; L64-R67 VanDerWaalsContact O-N 3.14Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R69 PolarHBondContact O-N 2.97Å; R67-M70 WeakPolarHBondContact O-CB 3.45Å; R67-M70 PolarHBondContact O-N 2.99Å; R67-M70 VanDerWaalsContact O-N 3.14Å; R67-V71 PolarHBondContact O-N 2.86Å; R67-V71 VanDerWaalsContact O-N 3.13Å; R67-T89 HydrophobicContact CB-CG2 4.05Å; R67-T89 VanDerWaalsContact CB-OG1 3.32Å; R67-T89 WeakPolarHBondContact CB-OG1 3.48Å; R67-T89 WeakPolarHBondContact CD-OG1 2.99Å
68H97.3Very high96Very high49 Ų4967.8 Ų67.823%0.22736%0.357CS..Hα-helixtrans-61-40.1176.2-71.6-170.3000112L64 M70 V71 N72 Q87L64-H68 VanDerWaalsContact CD1-NE2 3.34Å; L64-H68 WeakPolarHBondContact CD1-NE2 3.43Å; L64-H68 PolarHBondContact O-N 3.49Å; H68-M70 PolarHBondContact O-N 2.9Å; H68-V71 PolarHBondContact O-N 3.41Å; H68-N72 WeakPolarHBondContact O-CB 3.24Å; H68-N72 PolarHBondContact O-N 3.44Å; H68-N72 PolarHBondContact O-OD1 3.49Å; H68-Q87 PolarHBondContact O-NE2 2.78Å
69R97.6Very high95.8Very high155 Ų15567 Ų6759%0.58535%0.354SS*.Hα-helixtrans-61.9-41.8174-76.8177.6178.6-179.7-0.1112.1L65 Q66 R67 N72 M73L65-R69 WeakPolarHBondContact O-CG 3.39Å; L65-R69 PolarHBondContact O-N 3.24Å; Q66-R69 PolarHBondContact O-N 3.34Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R69 PolarHBondContact O-N 2.97Å; R69-N72 PolarHBondContact O-N 2.83Å; R69-M73 WeakPolarHBondContact O-CB 3.34Å; R69-M73 WeakPolarHBondContact O-CG 3.26Å; R69-M73 PolarHBondContact O-N 3.16Å
70M97.3Very high95.5Very high35 Ų3575.1 Ų75.117%0.17239%0.39CS..Hα-helixtrans-60.2-47.2178.2-69.2168.964.700111.7L31 Q58 F59 K62 Q66 R67 H68 M73 C74L31-M70 HydrophobicContact CD2-CB 4.2Å; L31-M70 HydrophobicContact CD2-CE 4.26Å; Q58-M70 HydrophobicContact CB-CE 4Å; F59-M70 HydrophobicContact CD1-CE 4.49Å; F59-M70 HydrophobicContact CD1-SD 4.49Å; F59-M70 HydrophobicContact CE1-CE 4.48Å; K62-M70 HydrophobicContact CD-CE 4.29Å; K62-M70 HydrophobicContact CD-SD 3.36Å; K62-M70 WeakPolarHBondContact CD-SD 3.31Å; K62-M70 VanDerWaalsContact CE-SD 3.59Å; Q66-M70 VanDerWaalsContact O-CG 3.32Å; Q66-M70 WeakPolarHBondContact O-CG 3.34Å; Q66-M70 PolarHBondContact O-N 2.68Å; R67-M70 WeakPolarHBondContact O-CB 3.45Å; R67-M70 PolarHBondContact O-N 2.99Å; R67-M70 VanDerWaalsContact O-N 3.14Å; H68-M70 PolarHBondContact O-N 2.9Å; M70-M73 PolarHBondContact O-N 3.09Å; M70-C74 PolarHBondContact O-N 3.34Å; M70-C74 VanDerWaalsContact O-N 3.09Å
71V97.3Very high95.2Very high0 Ų071.2 Ų71.20%038%0.38CS..Hα-helixtrans-63.9-46.2176.3175.70000111.3L27 L31 V54 F59 R67 H68 M73 C74 L75 F85 T89L27-V71 HydrophobicContact CD2-CG1 3.89Å; L31-V71 HydrophobicContact CD1-CB 4.45Å; L31-V71 HydrophobicContact CD1-CG2 3.71Å; V54-V71 HydrophobicContact CG2-CG2 4.47Å; F59-V71 HydrophobicContact CE1-CG2 4.31Å; F59-V71 HydrophobicContact CZ-CG2 3.91Å; R67-V71 PolarHBondContact O-N 2.86Å; R67-V71 VanDerWaalsContact O-N 3.13Å; H68-V71 PolarHBondContact O-N 3.41Å; V71-M73 VanDerWaalsContact C-N 3.28Å; V71-M73 PolarHBondContact O-N 3.01Å; V71-C74 WeakPolarHBondContact O-CB 3.2Å; V71-C74 PolarHBondContact O-N 3.42Å; V71-C74 VanDerWaalsContact O-N 3.16Å; V71-L75 HydrophobicContact CG1-CD1 4.15Å; V71-L75 PolarHBondContact O-N 2.86Å; V71-F85 HydrophobicContact CG1-CE1 4.06Å; V71-F85 HydrophobicContact CG1-CZ 4.13Å; V71-T89 HydrophobicContact CG2-CG2 3.74Å
72N96.6Very high94.9Very high65 Ų6568.1 Ų68.135%0.34834%0.344SS..Hα-helixtrans-63.2-34.6179.5-70.63.3000112.7H68 R69 L75 A76 L79 Q87H68-N72 WeakPolarHBondContact O-CB 3.24Å; H68-N72 PolarHBondContact O-N 3.44Å; H68-N72 PolarHBondContact O-OD1 3.49Å; R69-N72 PolarHBondContact O-N 2.83Å; N72-L75 CarbonylContact O-C 3.47Å; N72-L75 PolarHBondContact O-N 3.5Å; N72-A76 VanDerWaalsContact O-CA 3.26Å; N72-A76 WeakPolarHBondContact O-CA 3.02Å; N72-A76 PolarHBondContact O-N 3.36Å; N72-L79 HydrophobicContact CB-CD1 4Å; N72-Q87 PolarHBondContact OD1-NE2 3.02Å
73M96.3Very high94.5Very high149 Ų14972.5 Ų72.573%0.73437%0.365SS*.Hα-helixtrans-68.2-40.8175.1-75.7174.565.400111.5R69 M70 V71 L75 A76R69-M73 WeakPolarHBondContact O-CB 3.34Å; R69-M73 WeakPolarHBondContact O-CG 3.26Å; R69-M73 PolarHBondContact O-N 3.16Å; M70-M73 PolarHBondContact O-N 3.09Å; V71-M73 VanDerWaalsContact C-N 3.28Å; V71-M73 PolarHBondContact O-N 3.01Å; M73-L75 VanDerWaalsContact C-N 3.29Å; M73-L75 PolarHBondContact O-N 3.14Å; M73-A76 WeakPolarHBondContact O-CB 3.43Å; M73-A76 PolarHBondContact O-N 2.84Å
74C95.5Very high94.3Very high18 Ų1869.9 Ų69.912%0.12235%0.351CS..Hα-helixtrans-60.6-40.5175.1179.10000111.7K26 L27 E30 M70 V71K26-C74 WeakPolarHBondContact CE-O 3.32Å; K26-C74 PolarHBondContact NZ-O 2.83Å; L27-C74 HydrophobicContact CD2-CB 4.45Å; E30-C74 VanDerWaalsContact CB-SG 3.57Å; M70-C74 PolarHBondContact O-N 3.34Å; M70-C74 VanDerWaalsContact O-N 3.09Å; V71-C74 WeakPolarHBondContact O-CB 3.2Å; V71-C74 PolarHBondContact O-N 3.42Å; V71-C74 VanDerWaalsContact O-N 3.16Å
75L95.3Very high94.3Very high0 Ų067.3 Ų67.30%034%0.335CS..THydrogen-bonded Turntrans-99.920.4-177.7-57.3179.1000113.7I23 K26 L27 V71 N72 M73 E77 E78 L79 F85I23-L75 HydrophobicContact CG2-CD1 3.94Å; I23-L75 HydrophobicContact CG2-CD2 4.33Å; K26-L75 HydrophobicContact CD-CD2 4.1Å; L27-L75 HydrophobicContact CD1-CD1 4.22Å; L27-L75 HydrophobicContact CD2-CD1 4.05Å; L27-L75 HydrophobicContact CD2-CD2 4.26Å; L27-L75 HydrophobicContact CD2-CG 4.04Å; L27-L75 HydrophobicContact CG-CD1 4.33Å; L27-L75 HydrophobicContact CG-CD2 4.28Å; L27-L75 HydrophobicContact CG-CG 4.5Å; V71-L75 HydrophobicContact CG1-CD1 4.15Å; V71-L75 PolarHBondContact O-N 2.86Å; N72-L75 CarbonylContact O-C 3.47Å; N72-L75 PolarHBondContact O-N 3.5Å; M73-L75 VanDerWaalsContact C-N 3.29Å; M73-L75 PolarHBondContact O-N 3.14Å; L75-E77 PolarHBondContact O-N 3.26Å; L75-E77 VanDerWaalsContact O-N 3.14Å; L75-E78 VanDerWaalsContact C-OE2 3.32Å; L75-E78 WeakPolarHBondContact CA-OE2 3.34Å; L75-E78 HydrophobicContact CB-CB 4.46Å; L75-E78 PolarHBondContact O-N 3.49Å; L75-L79 HydrophobicContact CB-CD1 4.26Å; L75-L79 HydrophobicContact CB-CG 4.06Å; L75-L79 WeakPolarHBondContact O-CB 3.35Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 2.99Å; L75-F85 HydrophobicContact CD1-CE1 4.31Å; L75-F85 HydrophobicContact CD1-CE2 3.78Å; L75-F85 HydrophobicContact CD1-CZ 3.47Å; L75-F85 VanDerWaalsContact CD1-CZ 3.47Å
76A94.3Very high94.2Very high50 Ų5067 Ų6741%0.41333%0.331SS..THydrogen-bonded Turntrans-61.2-29.8-168.200000113.9N72 M73N72-A76 VanDerWaalsContact O-CA 3.26Å; N72-A76 WeakPolarHBondContact O-CA 3.02Å; N72-A76 PolarHBondContact O-N 3.36Å; M73-A76 WeakPolarHBondContact O-CB 3.43Å; M73-A76 PolarHBondContact O-N 2.84Å
77E92.1Very high94.2Very high139 Ų13964.4 Ų64.465%0.6532%0.319SS*.THydrogen-bonded Turntrans-82-43177.3-63.1-167.4109.600111.4L75 L79 K80L75-E77 PolarHBondContact O-N 3.26Å; L75-E77 VanDerWaalsContact O-N 3.14Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.9Å; E77-K80 WeakPolarHBondContact O-CB 3.35Å; E77-K80 PolarHBondContact O-N 2.91Å
78E91.8Very high94.1Very high17 Ų1767 Ų678%0.07933%0.331CS..G310 helixtrans-62.7-40.6177.7-66.779.7-179.300111.8V18 H22 K26 L75 K80 A81 I82V18-E78 HydrophobicContact CG1-CB 4Å; V18-E78 HydrophobicContact CG1-CG 4.05Å; V18-E78 HydrophobicContact CG2-CB 4.06Å; V18-E78 HydrophobicContact CG2-CG 4.17Å; H22-E78 IonicContact CD2-OE1 2.74Å; H22-E78 IonicContact CE1-OE1 2.86Å; H22-E78 IonicContact NE2-OE1 2.68Å; H22-E78 PolarHBondContact NE2-OE1 3.19Å; K26-E78 WeakPolarHBondContact CD-OE1 3.24Å; K26-E78 IonicContact NZ-OE1 2.83Å; K26-E78 PolarHBondContact NZ-OE1 3.34Å; K26-E78 IonicContact NZ-OE2 3.78Å; K26-E78 PolarHBondContact NZ-OE2 2.97Å; L75-E78 VanDerWaalsContact C-OE2 3.32Å; L75-E78 WeakPolarHBondContact CA-OE2 3.34Å; L75-E78 HydrophobicContact CB-CB 4.46Å; L75-E78 PolarHBondContact O-N 3.49Å; E78-K80 PolarHBondContact O-N 3.3Å; E78-K80 VanDerWaalsContact O-N 3.1Å; E78-A81 PolarHBondContact O-N 2.85Å; E78-I82 HydrophobicContact CB-CD1 4.34Å; E78-I82 WeakPolarHBondContact O-CG1 3.24Å; E78-I82 PolarHBondContact O-N 2.99Å
79L92.3Very high94.1Very high44 Ų4464.9 Ų64.923%0.2332%0.322CS..G310 helixtrans-62.2-17.6178.2-74.1174.6000113.5N72 L75 E77 A81 I82 F85N72-L79 HydrophobicContact CB-CD1 4Å; L75-L79 HydrophobicContact CB-CD1 4.26Å; L75-L79 HydrophobicContact CB-CG 4.06Å; L75-L79 WeakPolarHBondContact O-CB 3.35Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 2.99Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.9Å; L79-A81 PolarHBondContact O-N 3.35Å; L79-I82 HydrophobicContact CD2-CD1 4.2Å; L79-F85 HydrophobicContact CD2-CB 3.57Å; L79-F85 HydrophobicContact CD2-CD1 3.8Å; L79-F85 HydrophobicContact CD2-CD2 3.92Å; L79-F85 HydrophobicContact CD2-CE1 4.46Å; L79-F85 HydrophobicContact CD2-CG 3.5Å; L79-F85 VanDerWaalsContact CD2-CG 3.5Å
80K91.1Very high94.1Very high171 Ų17158.3 Ų58.374%0.74330%0.298SS*.G310 helixtrans-70.2-25172.1-61.3173.2-174.81700112.3E77 E78E77-K80 WeakPolarHBondContact O-CB 3.35Å; E77-K80 PolarHBondContact O-N 2.91Å; E78-K80 PolarHBondContact O-N 3.3Å; E78-K80 VanDerWaalsContact O-N 3.1Å
81A88.6Confident94Very high52 Ų5257 Ų5743%0.4329%0.292SS..THydrogen-bonded Turntrans-100.9-13.918000000113.2V18 E78 L79V18-A81 HydrophobicContact CG2-CB 4.14Å; E78-A81 PolarHBondContact O-N 2.85Å; L79-A81 PolarHBondContact O-N 3.35Å
82I89.8Confident93.9Very high16 Ų1659 Ų598%0.08231%0.305CS..  trans-91.3126.8178.3-61.7167.2000109.3V18 I23 F50 E78 L79 A84 F85V18-I82 HydrophobicContact CG1-CD1 4.13Å; V18-I82 HydrophobicContact CG1-CG1 4.43Å; I23-I82 HydrophobicContact CD1-CD1 4.06Å; F50-I82 HydrophobicContact CD2-CD1 3.76Å; F50-I82 HydrophobicContact CD2-CG1 3.78Å; F50-I82 HydrophobicContact CD2-CG2 3.94Å; F50-I82 HydrophobicContact CE2-CD1 4.19Å; F50-I82 HydrophobicContact CE2-CG1 3.89Å; E78-I82 HydrophobicContact CB-CD1 4.34Å; E78-I82 WeakPolarHBondContact O-CG1 3.24Å; E78-I82 PolarHBondContact O-N 2.99Å; L79-I82 HydrophobicContact CD2-CD1 4.2Å; I82-A84 WeakPolarHBondContact CG2-O 3.39Å; I82-F85 HydrophobicContact CD1-CD2 4.26Å; I82-F85 HydrophobicContact CG2-CB 4.06Å
83H88.6Confident93.8Very high152 Ų15261 Ų6170%0.70431%0.312SS*.SBendtrans-78.3-42.7177.7-175.877.2000112.2A47 A48A47-H83 HydrophobicContact CB-CB 3.58Å; A48-H83 PolarHBondContact O-N 3.4Å
84A91.6Very high93.6Very high28 Ų2857.9 Ų57.923%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-131.3128.3179.100000110.9A48 S49 F50 I82A48-A84 PolarHBondContact O-N 2.87Å; S49-A84 CarbonylContact C-O 3.46Å; S49-A84 VanDerWaalsContact CA-O 3.25Å; S49-A84 WeakPolarHBondContact CA-O 3.34Å; F50-A84 PolarHBondContact N-O 2.86Å; I82-A84 WeakPolarHBondContact CG2-O 3.39Å
85F94.7Very high93.6Very high46 Ų4659.7 Ų59.720%0.20230%0.3CS..EExtended strand (participates in β ladder)trans-131.6110.1179.5-174-103.2000109.9F50 V52 V71 L75 L79 I82 Q87F50-F85 HydrophobicContact CB-CD2 4.15Å; F50-F85 HydrophobicContact CB-CE2 4.47Å; F50-F85 WeakPolarHBondContact O-CA 3.27Å; V52-F85 HydrophobicContact CB-CE2 4.26Å; V52-F85 HydrophobicContact CB-CZ 4.09Å; V52-F85 HydrophobicContact CG2-CD2 4.38Å; V52-F85 HydrophobicContact CG2-CE2 3.42Å; V52-F85 VanDerWaalsContact CG2-CE2 3.42Å; V52-F85 HydrophobicContact CG2-CZ 3.74Å; V71-F85 HydrophobicContact CG1-CE1 4.06Å; V71-F85 HydrophobicContact CG1-CZ 4.13Å; L75-F85 HydrophobicContact CD1-CE1 4.31Å; L75-F85 HydrophobicContact CD1-CE2 3.78Å; L75-F85 HydrophobicContact CD1-CZ 3.47Å; L75-F85 VanDerWaalsContact CD1-CZ 3.47Å; L79-F85 HydrophobicContact CD2-CB 3.57Å; L79-F85 HydrophobicContact CD2-CD1 3.8Å; L79-F85 HydrophobicContact CD2-CD2 3.92Å; L79-F85 HydrophobicContact CD2-CE1 4.46Å; L79-F85 HydrophobicContact CD2-CG 3.5Å; L79-F85 VanDerWaalsContact CD2-CG 3.5Å; I82-F85 HydrophobicContact CD1-CD2 4.26Å; I82-F85 HydrophobicContact CG2-CB 4.06Å; F85-Q87 HydrophobicContact CD1-CB 4.35Å; F85-Q87 HydrophobicContact CE1-CB 3.73Å; F85-Q87 HydrophobicContact CE1-CG 4.17Å; F85-Q87 HydrophobicContact CZ-CB 4.33Å
86E95.9Very high93.4Very high102 Ų10263.1 Ų63.148%0.47732%0.318SS..EExtended strand (participates in β ladder)trans-98.4135.5170.8-176.2173.1119.700109.1F50 K51 V52F50-E86 PolarHBondContact O-N 2.8Å; K51-E86 CarbonylContact C-O 3.58Å; K51-E86 WeakPolarHBondContact CA-O 3.05Å; K51-E86 HydrophobicContact CB-CB 4.35Å; K51-E86 WeakPolarHBondContact CD-OE1 3.35Å; K51-E86 WeakPolarHBondContact CE-OE1 3.37Å; K51-E86 HydrophobicContact CG-CB 4.27Å; K51-E86 HydrophobicContact CG-CG 4.34Å; K51-E86 IonicContact NZ-OE1 2.67Å; K51-E86 PolarHBondContact NZ-OE1 3.16Å; V52-E86 PolarHBondContact N-O 3.11Å
87Q96.1Very high93.3Very high27 Ų2765.9 Ų65.913%0.12632%0.321CS..EExtended strand (participates in β ladder)trans-134.6145178.161.3178.5-31.100112V52 H68 N72 F85V52-Q87 CarbonylContact O-C 3.56Å; V52-Q87 VanDerWaalsContact O-CA 3.25Å; V52-Q87 WeakPolarHBondContact O-CA 3.37Å; H68-Q87 PolarHBondContact O-NE2 2.78Å; N72-Q87 PolarHBondContact OD1-NE2 3.02Å; F85-Q87 HydrophobicContact CD1-CB 4.35Å; F85-Q87 HydrophobicContact CE1-CB 3.73Å; F85-Q87 HydrophobicContact CE1-CG 4.17Å; F85-Q87 HydrophobicContact CZ-CB 4.33Å
88K97.1Very high93Very high92 Ų9263.5 Ų63.540%0.431%0.311SS..EExtended strand (participates in β ladder)trans-129115.4170.7-174.4168178.2-175.20109.2V52 L53 V54 L90 M98V52-K88 PolarHBondContact O-N 3.39Å; L53-K88 WeakPolarHBondContact CA-O 3.35Å; L53-K88 HydrophobicContact CD1-CB 4.15Å; L53-K88 HydrophobicContact CD1-CD 3.89Å; L53-K88 HydrophobicContact CD1-CG 4.06Å; V54-K88 PolarHBondContact N-O 3.1Å; K88-L90 HydrophobicContact CG-CD2 4.35Å; K88-L90 HydrophobicContact CG-CG 4.24Å; K88-M98 VanDerWaalsContact NZ-CE 3.34Å
89T97.3Very high92.6Very high4 Ų468.3 Ų68.33%0.02533%0.332CS..EExtended strand (participates in β ladder)trans-104.2117.7-178.358.90000110.8V54 F59 R67 V71V54-T89 WeakPolarHBondContact O-CA 3.34Å; F59-T89 HydrophobicContact CE1-CG2 4.36Å; F59-T89 HydrophobicContact CE2-CG2 3.96Å; F59-T89 HydrophobicContact CZ-CG2 3.83Å; R67-T89 HydrophobicContact CB-CG2 4.05Å; R67-T89 VanDerWaalsContact CB-OG1 3.32Å; R67-T89 WeakPolarHBondContact CB-OG1 3.48Å; R67-T89 WeakPolarHBondContact CD-OG1 2.99Å; V71-T89 HydrophobicContact CG2-CG2 3.74Å
90L96.4Very high91.7Very high18 Ų1874 Ų749%0.09436%0.357CS..EExtended strand (participates in β ladder)trans-123150.3-177.6-61.3178.1000111.5L53 V54 V55 S56 F59 K88 H94 W95 M98L53-L90 HydrophobicContact CD1-CD1 3.88Å; V54-L90 PolarHBondContact O-N 3.18Å; V55-L90 VanDerWaalsContact CA-O 3.29Å; V55-L90 WeakPolarHBondContact CA-O 3.13Å; V55-L90 HydrophobicContact CG2-CB 4.41Å; S56-L90 PolarHBondContact N-O 3.22Å; F59-L90 WeakPolarHBondContact CD2-O 3.25Å; K88-L90 HydrophobicContact CG-CD2 4.35Å; K88-L90 HydrophobicContact CG-CG 4.24Å; L90-H94 HydrophobicContact CB-CB 4.45Å; L90-H94 HydrophobicContact CD2-CB 4.32Å; L90-W95 HydrophobicContact CD1-CE3 3.58Å; L90-W95 HydrophobicContact CD1-CZ3 4.22Å; L90-M98 HydrophobicContact CD1-SD 3.87Å
91T96.7Very high89.9Confident8 Ų876.7 Ų76.75%0.04937%0.372CS..  trans-81.5158.2164.560.60000109.2F59 E60 E93 H94 W95F59-T91 HydrophobicContact CB-CG2 4.2Å; E60-T91 HydrophobicContact CB-CG2 4.27Å; T91-E93 PolarHBondContact O-N 3.2Å; T91-H94 PolarHBondContact O-N 3.06Å; T91-H94 VanDerWaalsContact O-N 3.1Å; T91-H94 PolarHBondContact OG1-N 2.9Å; T91-H94 PolarHBondContact OG1-ND1 3.15Å; T91-W95 PolarHBondContact O-N 2.8Å
92P95.1Very high90Very high40 Ų4078 Ų7826%0.2637%0.369SS..Hα-helixtrans-51.9-42.5174.7-27.735.7000112.6V34 V55 H94 W95 D96V34-P92 HydrophobicContact CG2-CG 4.07Å; V55-P92 HydrophobicContact CG1-CB 4.42Å; V55-P92 HydrophobicContact CG1-CG 4.24Å; P92-H94 PolarHBondContact O-N 2.9Å; P92-W95 WeakPolarHBondContact O-CB 3.47Å; P92-W95 PolarHBondContact O-N 3.03Å; P92-D96 PolarHBondContact O-N 3.19Å
93E93.5Very high90Very high108 Ų10881.2 Ų81.251%0.50538%0.384SS..Hα-helixtrans-61.3-43.7177.4-166.6-163.215700113T91 W95 D96 K97T91-E93 PolarHBondContact O-N 3.2Å; E93-W95 VanDerWaalsContact C-N 3.33Å; E93-D96 PolarHBondContact O-N 2.91Å; E93-K97 WeakPolarHBondContact O-CG 3.05Å; E93-K97 PolarHBondContact O-N 3.11Å; E93-K97 WeakPolarHBondContact OE1-CE 3.34Å; E93-K97 IonicContact OE1-NZ 3.86Å; E93-K97 PolarHBondContact OE1-NZ 3.46Å
94H92.5Very high90Very high83 Ų8377.3 Ų77.338%0.38437%0.367SS..Hα-helixtrans-65.9-38.6176.4-71.1131.1000111.6L90 T91 P92 K97 M98L90-H94 HydrophobicContact CB-CB 4.45Å; L90-H94 HydrophobicContact CD2-CB 4.32Å; T91-H94 PolarHBondContact O-N 3.06Å; T91-H94 VanDerWaalsContact O-N 3.1Å; T91-H94 PolarHBondContact OG1-N 2.9Å; T91-H94 PolarHBondContact OG1-ND1 3.15Å; P92-H94 PolarHBondContact O-N 2.9Å; H94-K97 PolarHBondContact O-N 3.24Å; H94-M98 WeakPolarHBondContact O-CG 3.43Å; H94-M98 PolarHBondContact O-N 2.96Å; H94-M98 VanDerWaalsContact O-N 3.11Å
95W94.3Very high89.9Confident57 Ų5780.2 Ų80.222%0.21638%0.375CS..Hα-helixtrans-64.7-42.4178.1-177.6-125.5000112.2H35 L53 V55 L90 T91 P92 E93 K97 M98 K99H35-W95 AromaticContact CD2-CZ2 3.89Å; H35-W95 AromaticContact NE2-CZ2 3.73Å; L53-W95 HydrophobicContact CD1-CE3 4.44Å; L53-W95 HydrophobicContact CD1-CH2 4.46Å; L53-W95 HydrophobicContact CD1-CZ3 3.86Å; L53-W95 HydrophobicContact CD2-CD2 4.43Å; L53-W95 HydrophobicContact CD2-CE3 4.04Å; L53-W95 HydrophobicContact CD2-CH2 3.5Å; L53-W95 HydrophobicContact CD2-CZ2 3.94Å; L53-W95 HydrophobicContact CD2-CZ3 3.56Å; L53-W95 HydrophobicContact CG-CZ3 4.36Å; V55-W95 HydrophobicContact CG1-CB 3.79Å; V55-W95 HydrophobicContact CG1-CG 4.16Å; V55-W95 HydrophobicContact CG2-CB 3.99Å; V55-W95 HydrophobicContact CG2-CD2 3.93Å; V55-W95 HydrophobicContact CG2-CE3 4.47Å; V55-W95 HydrophobicContact CG2-CG 3.71Å; L90-W95 HydrophobicContact CD1-CE3 3.58Å; L90-W95 HydrophobicContact CD1-CZ3 4.22Å; T91-W95 PolarHBondContact O-N 2.8Å; P92-W95 WeakPolarHBondContact O-CB 3.47Å; P92-W95 PolarHBondContact O-N 3.03Å; E93-W95 VanDerWaalsContact C-N 3.33Å; W95-K97 PolarHBondContact O-N 3.14Å; W95-M98 HydrophobicContact CE3-CB 4.47Å; W95-M98 PolarHBondContact O-N 3.05Å; W95-K99 HydrophobicContact CD2-CG 4.43Å; W95-K99 HydrophobicContact CZ2-CD 4.42Å; W95-K99 HydrophobicContact CZ2-CG 4.37Å; W95-K99 PolarHBondContact O-N 3.48Å; W95-K99 VanDerWaalsContact O-N 3.07Å
96D92Very high89.7Confident71 Ų7182.3 Ų82.338%0.3839%0.385SS..Hα-helixtrans-63.6-40177-72.4-27.9000112.4P92 E93 M98 K99 Q100P92-D96 PolarHBondContact O-N 3.19Å; E93-D96 PolarHBondContact O-N 2.91Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact O-N 3.1Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 WeakPolarHBondContact OD1-CE 2.95Å; D96-K99 IonicContact OD1-NZ 2.72Å; D96-K99 PolarHBondContact OD1-NZ 2.99Å; D96-Q100 WeakPolarHBondContact O-CG 3.24Å; D96-Q100 PolarHBondContact O-N 3.13Å
97K91.2Very high89.2Confident108 Ų10881 Ų8147%0.4738%0.379SS..Hα-helixtrans-63.2-36.2173.7-71.2175.8-172.5168.70112.6E93 H94 W95E93-K97 WeakPolarHBondContact O-CG 3.05Å; E93-K97 PolarHBondContact O-N 3.11Å; E93-K97 WeakPolarHBondContact OE1-CE 3.34Å; E93-K97 IonicContact OE1-NZ 3.86Å; E93-K97 PolarHBondContact OE1-NZ 3.46Å; H94-K97 PolarHBondContact O-N 3.24Å; W95-K97 PolarHBondContact O-N 3.14Å
98M87.4Confident88.7Confident89 Ų8984.9 Ų84.944%0.43840%0.397SS..Hα-helixtrans-70.8-35.5178.3-75.8-162.17400113K88 L90 H94 W95 D96 Q100K88-M98 VanDerWaalsContact NZ-CE 3.34Å; L90-M98 HydrophobicContact CD1-SD 3.87Å; H94-M98 WeakPolarHBondContact O-CG 3.43Å; H94-M98 PolarHBondContact O-N 2.96Å; H94-M98 VanDerWaalsContact O-N 3.11Å; W95-M98 HydrophobicContact CE3-CB 4.47Å; W95-M98 PolarHBondContact O-N 3.05Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact O-N 3.1Å; M98-Q100 VanDerWaalsContact C-N 3.25Å; M98-Q100 PolarHBondContact O-N 3.47Å
99K83Confident88.1Confident119 Ų11984.3 Ų84.352%0.51740%0.397SS..Hα-helixtrans-71.5-17.7178.2-72.4-179-66.7175.20114.1W95 D96 Q101W95-K99 HydrophobicContact CD2-CG 4.43Å; W95-K99 HydrophobicContact CZ2-CD 4.42Å; W95-K99 HydrophobicContact CZ2-CG 4.37Å; W95-K99 PolarHBondContact O-N 3.48Å; W95-K99 VanDerWaalsContact O-N 3.07Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 WeakPolarHBondContact OD1-CE 2.95Å; D96-K99 IonicContact OD1-NZ 2.72Å; D96-K99 PolarHBondContact OD1-NZ 2.99Å; K99-Q101 VanDerWaalsContact C-N 3.35Å
100Q72.8Confident87.3Confident162 Ų16291 Ų9176%0.75743%0.428SS*.THydrogen-bonded Turntrans-91.21.9-177.6-69.1173.627.300113D96 M98D96-Q100 WeakPolarHBondContact O-CG 3.24Å; D96-Q100 PolarHBondContact O-N 3.13Å; M98-Q100 VanDerWaalsContact C-N 3.25Å; M98-Q100 PolarHBondContact O-N 3.47Å
101Q53.2Low86.5Confident229 Ų22997.6 Ų97.6100%1.0746%0.459SS*.  trans-109.10173.7-80.7172.644.300110K99K99-Q101 VanDerWaalsContact C-N 3.35Å

Retrieved 101 of 101 residues in 61.6 ms (Link to these results)