A0A060WZA1_ONCMY Loading...

Ketimine reductase mu-crystallin

AlphaFold DB , UniProt , Accession A0A060WZA1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 312 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
1M63Low90.6Very high240 Ų240102.7 Ų102.7100%1.18254%0.543SS*.  0135.70-70.6-178-166.700107.4Q3M1-Q3 PolarHBondContact O-N 3.29Å
2A74.4Confident91.2Very high70 Ų7097.6 Ų97.658%0.57951%0.514SS*.PPolyproline II helixtrans-61.3134.2174.400000109.3N103A2-N103 HydrophobicContact CB-CB 3.89Å
3Q84.3Confident91.8Very high164 Ų16490.1 Ų90.177%0.76647%0.474SS*.PPolyproline II helixtrans-64.4149.6172.5-71.3-174-15.200109.6M1M1-Q3 PolarHBondContact O-N 3.29Å
4P92.3Very high92.2Very high111 Ų11190.2 Ų90.272%0.72147%0.471SS*.PPolyproline II helixtrans-57.6147.417226.4-34.3000110.1
5P96.3Very high92.5Very high66 Ų6686.5 Ų86.543%0.42946%0.463SS..PPolyproline II helixtrans-62.7141.9178.527.3-34.5000110.3V104 K105 V107P5-V104 HydrophobicContact CB-CB 4.06Å; P5-V104 HydrophobicContact CB-CG1 3.76Å; P5-V104 HydrophobicContact CG-CG1 4.5Å; P5-K105 WeakPolarHBondContact CA-O 3.44Å; P5-V107 HydrophobicContact CB-CG2 4.26Å; P5-V107 HydrophobicContact CG-CG2 4.48Å
6V97.7Very high92.9Very high39 Ų3981.4 Ų81.424%0.23644%0.436CS..EExtended strand (participates in β ladder)trans-76.3144172.4-55.90000109.8I8 K105 A106 V107 F305 W308V6-I8 HydrophobicContact CG2-CD1 4.36Å; V6-I8 HydrophobicContact CG2-CG1 4.19Å; V6-K105 PolarHBondContact N-O 2.98Å; V6-A106 HydrophobicContact CG2-CB 3.63Å; V6-A106 CarbonylContact O-C 3.56Å; V6-A106 VanDerWaalsContact O-CA 3.29Å; V6-A106 WeakPolarHBondContact O-CA 3.29Å; V6-V107 PolarHBondContact O-N 3.49Å; V6-F305 HydrophobicContact CG2-CD2 4.29Å; V6-F305 HydrophobicContact CG2-CE2 3.85Å; V6-W308 HydrophobicContact CB-CH2 3.85Å; V6-W308 HydrophobicContact CB-CZ2 4.16Å; V6-W308 HydrophobicContact CB-CZ3 4.2Å; V6-W308 HydrophobicContact CG1-CH2 3.52Å; V6-W308 HydrophobicContact CG1-CZ2 4.28Å; V6-W308 HydrophobicContact CG1-CZ3 3.85Å; V6-W308 HydrophobicContact CG2-CE3 4.29Å; V6-W308 HydrophobicContact CG2-CH2 4.18Å; V6-W308 HydrophobicContact CG2-CZ3 4.04Å
7L98.2Very high93.2Very high116 Ų11676.6 Ų76.661%0.60741%0.41SS*.EExtended strand (participates in β ladder)trans-102.1118.2174-177.667.5000108.6R9 V107L7-R9 HydrophobicContact CD2-CG 4.49Å; L7-R9 HydrophobicContact CG-CG 4.43Å; L7-V107 WeakPolarHBondContact CA-O 3.36Å; L7-V107 HydrophobicContact CD1-CB 4.09Å; L7-V107 HydrophobicContact CD1-CG1 4.11Å
8I98.3Very high93.5Very high0 Ų076.6 Ų76.60%041%0.407CS..EExtended strand (participates in β ladder)trans-108.2107.7177.3-52.6-179.9000107.8V6 E12 V13 L16 A106 V107 M108 D109 V304 F305 W308V6-I8 HydrophobicContact CG2-CD1 4.36Å; V6-I8 HydrophobicContact CG2-CG1 4.19Å; I8-E12 HydrophobicContact CG2-CB 3.75Å; I8-V13 HydrophobicContact CG2-CG2 3.83Å; I8-L16 HydrophobicContact CG2-CD1 4.39Å; I8-A106 HydrophobicContact CD1-CB 4.44Å; I8-V107 PolarHBondContact N-O 2.73Å; I8-M108 HydrophobicContact CB-CB 4.45Å; I8-M108 HydrophobicContact CB-CG 4.12Å; I8-M108 HydrophobicContact CD1-CE 4.18Å; I8-M108 HydrophobicContact CD1-CG 4.16Å; I8-M108 HydrophobicContact CD1-SD 4.27Å; I8-M108 HydrophobicContact CG1-CG 4.39Å; I8-M108 WeakPolarHBondContact O-CA 3.39Å; I8-D109 PolarHBondContact O-N 3.25Å; I8-D109 VanDerWaalsContact O-N 3.14Å; I8-V304 HydrophobicContact CD1-CG1 4.08Å; I8-V304 HydrophobicContact CG2-CG1 3.92Å; I8-F305 HydrophobicContact CD1-CD2 4.27Å; I8-W308 HydrophobicContact CD1-CB 3.81Å; I8-W308 HydrophobicContact CD1-CD2 4.13Å; I8-W308 HydrophobicContact CD1-CG 3.7Å; I8-W308 HydrophobicContact CG1-CD2 4.33Å; I8-W308 HydrophobicContact CG1-CG 4.06Å
9R97.8Very high93.7Very high137 Ų13773.1 Ų73.152%0.51739%0.388SS..  trans-77.9167-171.9-59.7176.5-59.3151.820.9111.7L7 D11 E12 V13L7-R9 HydrophobicContact CD2-CG 4.49Å; L7-R9 HydrophobicContact CG-CG 4.43Å; R9-D11 VanDerWaalsContact C-N 3.34Å; R9-D11 WeakPolarHBondContact CB-OD1 3.5Å; R9-D11 IonicContact CZ-OD1 3.8Å; R9-D11 IonicContact CZ-OD2 3.84Å; R9-D11 IonicContact NE-OD1 3.8Å; R9-D11 IonicContact NH2-OD1 3.58Å; R9-D11 IonicContact NH2-OD2 3Å; R9-D11 PolarHBondContact NH2-OD2 3.06Å; R9-D11 PolarHBondContact O-N 3.12Å; R9-E12 WeakPolarHBondContact CB-OE2 3.49Å; R9-E12 PolarHBondContact N-OE2 2.66Å; R9-E12 IonicContact NE-OE2 3.18Å; R9-E12 PolarHBondContact NE-OE2 3.25Å; R9-E12 WeakPolarHBondContact O-CB 3.17Å; R9-E12 PolarHBondContact O-N 3.28Å; R9-E12 VanDerWaalsContact O-N 3.08Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 2.74Å
10Q97.1Very high93.9Very high97 Ų9776.8 Ų76.845%0.45340%0.4SS..Hα-helixtrans-52.5-48.2-176.9-169.6-168.6-39.400113.1E12 V13 E14 D109 V112Q10-E12 VanDerWaalsContact C-N 3.3Å; Q10-E12 PolarHBondContact O-N 3.06Å; Q10-V13 PolarHBondContact O-N 3.1Å; Q10-E14 PolarHBondContact NE2-OE1 3.13Å; Q10-E14 WeakPolarHBondContact O-CG 3.28Å; Q10-E14 PolarHBondContact O-N 3.12Å; Q10-D109 HydrophobicContact CB-CB 4.06Å; Q10-V112 HydrophobicContact CG-CG2 3.41Å; Q10-V112 VanDerWaalsContact CG-CG2 3.41Å
11D97.5Very high94.1Very high90 Ų9075.8 Ų75.848%0.48140%0.395SS..Hα-helixtrans-61.3-37.7178.858.7-41.7000112.3R9 G15R9-D11 VanDerWaalsContact C-N 3.34Å; R9-D11 WeakPolarHBondContact CB-OD1 3.5Å; R9-D11 IonicContact CZ-OD1 3.8Å; R9-D11 IonicContact CZ-OD2 3.84Å; R9-D11 IonicContact NE-OD1 3.8Å; R9-D11 IonicContact NH2-OD1 3.58Å; R9-D11 IonicContact NH2-OD2 3Å; R9-D11 PolarHBondContact NH2-OD2 3.06Å; R9-D11 PolarHBondContact O-N 3.12Å; D11-G15 PolarHBondContact O-N 2.62Å
12E98Very high95.8Very high41 Ų4164.3 Ų64.319%0.19234%0.339CS..Hα-helixtrans-68.4-46.3174.8-63172.685.300111.1I8 R9 Q10 E14 G15 L16 W308I8-E12 HydrophobicContact CG2-CB 3.75Å; R9-E12 WeakPolarHBondContact CB-OE2 3.49Å; R9-E12 PolarHBondContact N-OE2 2.66Å; R9-E12 IonicContact NE-OE2 3.18Å; R9-E12 PolarHBondContact NE-OE2 3.25Å; R9-E12 WeakPolarHBondContact O-CB 3.17Å; R9-E12 PolarHBondContact O-N 3.28Å; R9-E12 VanDerWaalsContact O-N 3.08Å; Q10-E12 VanDerWaalsContact C-N 3.3Å; Q10-E12 PolarHBondContact O-N 3.06Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 2.75Å; E12-G15 CarbonylContact O-C 3.5Å; E12-G15 PolarHBondContact O-N 2.75Å; E12-L16 HydrophobicContact CB-CD1 4.4Å; E12-L16 WeakPolarHBondContact O-CB 3.47Å; E12-L16 VanDerWaalsContact O-CD1 3.31Å; E12-L16 WeakPolarHBondContact O-CD1 3.33Å; E12-L16 WeakPolarHBondContact O-CG 3.09Å; E12-L16 PolarHBondContact O-N 2.68Å; E12-L16 VanDerWaalsContact O-N 3.1Å; E12-W308 PolarHBondContact OE1-NE1 3.3Å
13V98.4Very high97Very high0 Ų062 Ų620%032%0.317CS..Hα-helixtrans-59.2-43.6176.6-179.90000110.9I8 R9 Q10 G15 L16 L17 M108 D109 V112 I113 V304I8-V13 HydrophobicContact CG2-CG2 3.83Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 2.74Å; Q10-V13 PolarHBondContact O-N 3.1Å; V13-G15 VanDerWaalsContact C-N 3.31Å; V13-G15 PolarHBondContact O-N 2.72Å; V13-L16 PolarHBondContact O-N 3.49Å; V13-L17 HydrophobicContact CG1-CB 4.41Å; V13-L17 HydrophobicContact CG1-CD2 4.4Å; V13-L17 VanDerWaalsContact O-CB 3.31Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 PolarHBondContact O-N 3.33Å; V13-M108 HydrophobicContact CG2-CB 4.49Å; V13-D109 HydrophobicContact CG2-CB 4.05Å; V13-V112 HydrophobicContact CB-CB 4.3Å; V13-V112 HydrophobicContact CB-CG1 4.24Å; V13-V112 HydrophobicContact CG1-CB 3.81Å; V13-V112 HydrophobicContact CG1-CG1 3.6Å; V13-I113 HydrophobicContact CG1-CG1 3.84Å; V13-V304 HydrophobicContact CG1-CG2 4.05Å; V13-V304 HydrophobicContact CG2-CG1 4.15Å
14E97.3Very high97.7Very high92 Ų9257.2 Ų57.243%0.4330%0.3SS..Hα-helixtrans-58.4-42.3177.7-75.8175.5-168.700112.3Q10 E12 L16 V112Q10-E14 PolarHBondContact NE2-OE1 3.13Å; Q10-E14 WeakPolarHBondContact O-CG 3.28Å; Q10-E14 PolarHBondContact O-N 3.12Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 2.75Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3.29Å; E14-V112 HydrophobicContact CB-CG1 4.48Å; E14-V112 HydrophobicContact CG-CB 4.3Å; E14-V112 HydrophobicContact CG-CG1 3.69Å; E14-V112 HydrophobicContact CG-CG2 3.58Å
15G97.3Very high98Very high34 Ų3456.1 Ų56.135%0.35128%0.281SS..THydrogen-bonded Turntrans-82.20.3178.900000115.7D11 E12 V13 H18 K311D11-G15 PolarHBondContact O-N 2.62Å; E12-G15 CarbonylContact O-C 3.5Å; E12-G15 PolarHBondContact O-N 2.75Å; V13-G15 VanDerWaalsContact C-N 3.31Å; V13-G15 PolarHBondContact O-N 2.72Å; G15-H18 PolarHBondContact O-NE2 3.36Å; G15-K311 PolarHBondContact O-NZ 3.24Å
16L98.3Very high98.1Very high6 Ų653 Ų533%0.03126%0.261CS..THydrogen-bonded Turntrans-120.1-20.8-179.9-65.6170000112.8I8 E12 V13 E14 V304 Q307 W308 K311I8-L16 HydrophobicContact CG2-CD1 4.39Å; E12-L16 HydrophobicContact CB-CD1 4.4Å; E12-L16 WeakPolarHBondContact O-CB 3.47Å; E12-L16 VanDerWaalsContact O-CD1 3.31Å; E12-L16 WeakPolarHBondContact O-CD1 3.33Å; E12-L16 WeakPolarHBondContact O-CG 3.09Å; E12-L16 PolarHBondContact O-N 2.68Å; E12-L16 VanDerWaalsContact O-N 3.1Å; V13-L16 PolarHBondContact O-N 3.49Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3.29Å; L16-V304 HydrophobicContact CD1-CG1 4.28Å; L16-Q307 HydrophobicContact CB-CB 4.25Å; L16-Q307 HydrophobicContact CD2-CB 3.64Å; L16-Q307 HydrophobicContact CG-CB 4.45Å; L16-Q307 PolarHBondContact O-NE2 3.04Å; L16-Q307 VanDerWaalsContact O-NE2 3.16Å; L16-Q307 PolarHBondContact O-OE1 2.88Å; L16-W308 HydrophobicContact CD1-CB 3.82Å; L16-W308 HydrophobicContact CD1-CG 4.42Å; L16-K311 HydrophobicContact CD2-CD 3.82Å
17L98.3Very high98.1Very high0 Ų053 Ų530%026%0.258CS..  trans-104.491.5-175.3-166.555.7000111.3V13 L22 I113 K116 L303 V304V13-L17 HydrophobicContact CG1-CB 4.41Å; V13-L17 HydrophobicContact CG1-CD2 4.4Å; V13-L17 VanDerWaalsContact O-CB 3.31Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 PolarHBondContact O-N 3.33Å; L17-L22 HydrophobicContact CD1-CB 4.25Å; L17-L22 HydrophobicContact CD1-CD1 4.12Å; L17-L22 HydrophobicContact CD1-CD2 4.05Å; L17-L22 HydrophobicContact CD1-CG 4.36Å; L17-L22 HydrophobicContact CD2-CD2 4.39Å; L17-L22 HydrophobicContact CG-CD2 4.14Å; L17-I113 HydrophobicContact CD2-CB 4.5Å; L17-I113 HydrophobicContact CD2-CG1 4.04Å; L17-K116 HydrophobicContact CB-CD 3.8Å; L17-K116 HydrophobicContact CD2-CB 4.04Å; L17-K116 HydrophobicContact CD2-CD 3.83Å; L17-K116 HydrophobicContact CG-CB 4.39Å; L17-K116 HydrophobicContact CG-CD 3.74Å; L17-K116 VanDerWaalsContact O-CD 3.23Å; L17-K116 WeakPolarHBondContact O-CD 3.22Å; L17-K116 WeakPolarHBondContact O-CE 3.39Å; L17-K116 PolarHBondContact O-NZ 3.12Å; L17-L303 HydrophobicContact CD1-CD2 3.59Å; L17-L303 HydrophobicContact CD1-CG 4.13Å; L17-V304 HydrophobicContact CB-CG2 4.01Å; L17-V304 HydrophobicContact CD1-CG2 4.04Å; L17-V304 HydrophobicContact CD2-CG2 4.18Å; L17-V304 HydrophobicContact CG-CG2 4.3Å
18H98.1Very high98.1Very high75 Ų7551.4 Ų51.435%0.34725%0.253SS..  trans-101.7141.9-179.9-57.3-66.5000112.3G15 K20 D21 L22G15-H18 PolarHBondContact O-NE2 3.36Å; H18-K20 HydrophobicContact CB-CG 4.22Å; H18-K20 PolarHBondContact O-N 3.03Å; H18-D21 PolarHBondContact O-N 2.96Å; H18-D21 VanDerWaalsContact O-N 3.14Å; H18-L22 WeakPolarHBondContact O-CB 3.38Å; H18-L22 PolarHBondContact O-N 3.13Å
19Y98.4Very high98Very high11 Ų1151.5 Ų51.54%0.04325%0.254CS..Hα-helixtrans-62.5-39.1-175.2-69.4-55.2000113.3D21 L22 I23 K116 A120 S148 N151 V152 E155Y19-D21 PolarHBondContact O-N 3.22Å; Y19-D21 VanDerWaalsContact O-N 3.16Å; Y19-L22 PolarHBondContact O-N 3.42Å; Y19-I23 WeakPolarHBondContact O-CB 3.46Å; Y19-I23 WeakPolarHBondContact O-CG1 3.43Å; Y19-I23 PolarHBondContact O-N 3.24Å; Y19-K116 HydrophobicContact CE1-CB 3.85Å; Y19-K116 HydrophobicContact CE1-CG 4.01Å; Y19-K116 WeakPolarHBondContact CE1-O 3.42Å; Y19-A120 HydrophobicContact CD1-CB 4.16Å; Y19-A120 HydrophobicContact CE1-CB 4.38Å; Y19-S148 PolarHBondContact OH-O 3.21Å; Y19-N151 HydrophobicContact CE2-CB 4.2Å; Y19-V152 HydrophobicContact CD1-CB 4.07Å; Y19-V152 HydrophobicContact CD1-CG2 3.68Å; Y19-V152 HydrophobicContact CD2-CB 3.83Å; Y19-V152 HydrophobicContact CD2-CG2 3.87Å; Y19-V152 HydrophobicContact CE1-CB 3.88Å; Y19-V152 HydrophobicContact CE1-CG2 3.99Å; Y19-V152 HydrophobicContact CE2-CB 3.61Å; Y19-V152 HydrophobicContact CE2-CG2 4.15Å; Y19-V152 HydrophobicContact CG-CB 4.05Å; Y19-V152 HydrophobicContact CG-CG2 3.63Å; Y19-E155 WeakPolarHBondContact CD2-OE2 3.32Å
20K97.9Very high97.9Very high146 Ų14645 Ų4564%0.63523%0.229SC*.Hα-helixtrans-53.2-33.7174.971.6-179.9-173.6176.80113.8H18 P24H18-K20 HydrophobicContact CB-CG 4.22Å; H18-K20 PolarHBondContact O-N 3.03Å; K20-P24 VanDerWaalsContact O-CD 3.29Å; K20-P24 WeakPolarHBondContact O-CD 3.4Å
21D98.2Very high97.9Very high56 Ų5640.5 Ų40.530%0.29921%0.209SC..Hα-helixtrans-94.5-30.3-178.1-55.4-49.1000111.1H18 Y19 L303H18-D21 PolarHBondContact O-N 2.96Å; H18-D21 VanDerWaalsContact O-N 3.14Å; Y19-D21 PolarHBondContact O-N 3.22Å; Y19-D21 VanDerWaalsContact O-N 3.16Å; D21-L303 HydrophobicContact CB-CD1 4.19Å; D21-L303 HydrophobicContact CB-CD2 4Å
22L98.7Very high97.7Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-78.1-45.4-177177.457.9000113L17 H18 Y19 R25 L26 K116 A120 S300 L303L17-L22 HydrophobicContact CD1-CB 4.25Å; L17-L22 HydrophobicContact CD1-CD1 4.12Å; L17-L22 HydrophobicContact CD1-CD2 4.05Å; L17-L22 HydrophobicContact CD1-CG 4.36Å; L17-L22 HydrophobicContact CD2-CD2 4.39Å; L17-L22 HydrophobicContact CG-CD2 4.14Å; H18-L22 WeakPolarHBondContact O-CB 3.38Å; H18-L22 PolarHBondContact O-N 3.13Å; Y19-L22 PolarHBondContact O-N 3.42Å; L22-R25 PolarHBondContact O-N 3.11Å; L22-L26 HydrophobicContact CD1-CD1 3.76Å; L22-L26 HydrophobicContact CD1-CD2 4.36Å; L22-L26 HydrophobicContact CD1-CG 3.79Å; L22-L26 HydrophobicContact CD2-CD1 4.17Å; L22-L26 HydrophobicContact CG-CD1 3.6Å; L22-L26 HydrophobicContact CG-CG 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.3Å; L22-L26 PolarHBondContact O-N 2.93Å; L22-K116 HydrophobicContact CD2-CB 4Å; L22-A120 HydrophobicContact CD2-CB 4.16Å; L22-A120 HydrophobicContact CG-CB 4.4Å; L22-S300 VanDerWaalsContact CD1-OG 3.32Å; L22-S300 WeakPolarHBondContact CD1-OG 3.23Å; L22-L303 HydrophobicContact CB-CD2 4.06Å; L22-L303 HydrophobicContact CD1-CD2 4.39Å
23I98.8Very high97.6Very high22 Ų2238 Ų3811%0.11319%0.193CC..Hα-helixtrans-56.7-50.8-175.4-73.9169000111.9Y19 R25 L26 E27 A120 I124 V152Y19-I23 WeakPolarHBondContact O-CB 3.46Å; Y19-I23 WeakPolarHBondContact O-CG1 3.43Å; Y19-I23 PolarHBondContact O-N 3.24Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 PolarHBondContact O-N 2.97Å; I23-L26 PolarHBondContact O-N 3.39Å; I23-L26 VanDerWaalsContact O-N 3.13Å; I23-E27 HydrophobicContact CG2-CG 4.35Å; I23-E27 WeakPolarHBondContact O-CG 3.44Å; I23-E27 PolarHBondContact O-N 2.97Å; I23-A120 HydrophobicContact CG1-CB 3.91Å; I23-I124 HydrophobicContact CG2-CD1 4.2Å; I23-I124 HydrophobicContact CG2-CG1 3.9Å; I23-V152 HydrophobicContact CD1-CG2 3.96Å
24P98.6Very high97.4Very high63 Ų6338.6 Ų38.641%0.40920%0.197SC..Hα-helixtrans-60.3-36.7-179.7-24.735.2000113K20 E27 V28K20-P24 VanDerWaalsContact O-CD 3.29Å; K20-P24 WeakPolarHBondContact O-CD 3.4Å; P24-E27 PolarHBondContact O-N 3.43Å; P24-V28 WeakPolarHBondContact O-CG2 3.24Å; P24-V28 PolarHBondContact O-N 3.07Å; P24-V28 VanDerWaalsContact O-N 3.12Å
25R98.2Very high97.1Very high88 Ų8838.8 Ų38.833%0.33220%0.197SC..Hα-helixtrans-68.7-38.8177.7-67.7178177.1-147.8-1.1111.7L22 I23 V28 A29 E306L22-R25 PolarHBondContact O-N 3.11Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 PolarHBondContact O-N 2.97Å; R25-V28 PolarHBondContact O-N 3.39Å; R25-A29 WeakPolarHBondContact O-CB 3.32Å; R25-A29 PolarHBondContact O-N 2.84Å; R25-E306 IonicContact CZ-OE2 2.78Å; R25-E306 VanDerWaalsContact CZ-OE2 3.31Å; R25-E306 IonicContact NH1-OE2 3.68Å; R25-E306 PolarHBondContact NH1-OE2 3.45Å; R25-E306 IonicContact NH2-OE2 2.7Å; R25-E306 PolarHBondContact NH2-OE2 3.43Å
26L98.7Very high95.5Very high0 Ų045.9 Ų45.90%023%0.226CC..Hα-helixtrans-66.6-42.8174.2-71.4170000111.7L22 I23 V28 A29 L30 A120 V121 I124 Q296 V299L22-L26 HydrophobicContact CD1-CD1 3.76Å; L22-L26 HydrophobicContact CD1-CD2 4.36Å; L22-L26 HydrophobicContact CD1-CG 3.79Å; L22-L26 HydrophobicContact CD2-CD1 4.17Å; L22-L26 HydrophobicContact CG-CD1 3.6Å; L22-L26 HydrophobicContact CG-CG 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.3Å; L22-L26 PolarHBondContact O-N 2.93Å; I23-L26 PolarHBondContact O-N 3.39Å; I23-L26 VanDerWaalsContact O-N 3.13Å; L26-V28 VanDerWaalsContact C-N 3.3Å; L26-V28 PolarHBondContact O-N 3.05Å; L26-A29 PolarHBondContact O-N 2.98Å; L26-L30 WeakPolarHBondContact O-CB 3.35Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-A120 HydrophobicContact CD1-CB 3.46Å; L26-A120 VanDerWaalsContact CD1-CB 3.46Å; L26-V121 HydrophobicContact CD1-CG2 4.05Å; L26-V121 HydrophobicContact CD2-CG2 4.26Å; L26-I124 HydrophobicContact CB-CD1 3.73Å; L26-Q296 HydrophobicContact CD2-CB 3.8Å; L26-Q296 HydrophobicContact CD2-CG 4.12Å; L26-V299 HydrophobicContact CD2-CG2 3.71Å; L26-V299 HydrophobicContact CG-CG2 4.37Å
27E98.6Very high94.1Very high40 Ų4050.7 Ų50.719%0.18725%0.252CS..Hα-helixtrans-56.1-46175.2-72-179.2149.500110.9I23 P24 G31 I124 K127 L274I23-E27 HydrophobicContact CG2-CG 4.35Å; I23-E27 WeakPolarHBondContact O-CG 3.44Å; I23-E27 PolarHBondContact O-N 2.97Å; P24-E27 PolarHBondContact O-N 3.43Å; E27-G31 PolarHBondContact O-N 3.2Å; E27-I124 HydrophobicContact CG-CD1 3.64Å; E27-I124 HydrophobicContact CG-CG1 3.8Å; E27-I124 HydrophobicContact CG-CG2 4.01Å; E27-K127 IonicContact OE1-NZ 2.59Å; E27-K127 PolarHBondContact OE1-NZ 3.44Å; E27-K127 IonicContact OE2-NZ 2.68Å; E27-L274 HydrophobicContact CB-CD1 4.47Å; E27-L274 HydrophobicContact CB-CD2 4.07Å; E27-L274 HydrophobicContact CG-CD2 3.96Å
28V96.9Very high92.3Very high81 Ų8155.5 Ų55.549%0.49129%0.285SS..Hα-helixtrans-63-46.1176173.30000111.8P24 R25 L26 G31 K32P24-V28 WeakPolarHBondContact O-CG2 3.24Å; P24-V28 PolarHBondContact O-N 3.07Å; P24-V28 VanDerWaalsContact O-N 3.12Å; R25-V28 PolarHBondContact O-N 3.39Å; L26-V28 VanDerWaalsContact C-N 3.3Å; L26-V28 PolarHBondContact O-N 3.05Å; V28-G31 PolarHBondContact O-N 2.89Å; V28-K32 HydrophobicContact CG1-CD 4.27Å; V28-K32 WeakPolarHBondContact O-CG 3.22Å; V28-K32 PolarHBondContact O-N 2.83Å
29A96.2Very high91Very high2 Ų254.9 Ų54.92%0.01729%0.293CS..Hα-helixtrans-63.8-44-178.700000112.5R25 L26 K32 F33 I295 V299R25-A29 WeakPolarHBondContact O-CB 3.32Å; R25-A29 PolarHBondContact O-N 2.84Å; L26-A29 PolarHBondContact O-N 2.98Å; A29-K32 PolarHBondContact O-N 3.1Å; A29-F33 WeakPolarHBondContact O-CB 3.37Å; A29-F33 PolarHBondContact O-N 2.97Å; A29-I295 HydrophobicContact CB-CD1 4.18Å; A29-I295 WeakPolarHBondContact O-CD1 3.28Å; A29-V299 HydrophobicContact CB-CG1 3.83Å; A29-V299 HydrophobicContact CB-CG2 4.16Å
30L97.3Very high90.4Very high1 Ų156.4 Ų56.41%0.00530%0.3CS..Hα-helixtrans-61.7-46.6175.2-68.9171.3000110.8L26 K32 F33 S34 V121 I124 L270 G271 L274 M293 Q296L26-L30 WeakPolarHBondContact O-CB 3.35Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.11Å; L30-K32 PolarHBondContact O-N 3.17Å; L30-F33 PolarHBondContact O-N 3.5Å; L30-S34 PolarHBondContact O-N 2.85Å; L30-S34 VanDerWaalsContact O-N 3.16Å; L30-V121 HydrophobicContact CD1-CG1 4.17Å; L30-V121 HydrophobicContact CD1-CG2 4.26Å; L30-I124 HydrophobicContact CD1-CD1 4.22Å; L30-I124 HydrophobicContact CD1-CG2 4.44Å; L30-L270 HydrophobicContact CD1-CD2 4.11Å; L30-G271 WeakPolarHBondContact O-CA 3.37Å; L30-L274 HydrophobicContact CB-CD1 3.61Å; L30-L274 HydrophobicContact CD1-CD1 4Å; L30-L274 HydrophobicContact CG-CD1 4.47Å; L30-M293 HydrophobicContact CD2-CE 3.21Å; L30-Q296 HydrophobicContact CD2-CG 4.49Å
31G96.1Very high90.1Very high3 Ų350.2 Ų50.23%0.03128%0.275CS..Hα-helixtrans-57.4-46.8175.700000112E27 V28 S34 K35 N275E27-G31 PolarHBondContact O-N 3.2Å; V28-G31 PolarHBondContact O-N 2.89Å; G31-S34 PolarHBondContact O-N 3.18Å; G31-K35 WeakPolarHBondContact O-CG 3.22Å; G31-K35 PolarHBondContact O-N 2.95Å; G31-N275 WeakPolarHBondContact CA-OD1 3.16Å; G31-N275 PolarHBondContact O-ND2 3.17Å
32K94.4Very high89.9Confident40 Ų4052 Ų5217%0.17428%0.283CS..Hα-helixtrans-61.6-44.2176.6-76.5-176.3167-170.10113.1V28 A29 L30 S34 K35 V41 E68V28-K32 HydrophobicContact CG1-CD 4.27Å; V28-K32 WeakPolarHBondContact O-CG 3.22Å; V28-K32 PolarHBondContact O-N 2.83Å; A29-K32 PolarHBondContact O-N 3.1Å; L30-K32 PolarHBondContact O-N 3.17Å; K32-S34 VanDerWaalsContact C-N 3.31Å; K32-S34 PolarHBondContact O-N 3.06Å; K32-K35 WeakPolarHBondContact O-CB 3.08Å; K32-K35 PolarHBondContact O-N 2.75Å; K32-V41 HydrophobicContact CB-CG2 3.92Å; K32-E68 WeakPolarHBondContact CE-OE1 3.47Å; K32-E68 IonicContact NZ-OE1 3.31Å; K32-E68 PolarHBondContact NZ-OE1 3.02Å; K32-E68 IonicContact NZ-OE2 3.56Å; K32-E68 PolarHBondContact NZ-OE2 2.91Å
33F95.1Very high89.6Confident38 Ų3853.5 Ų53.517%0.16729%0.29CS..Hα-helixtrans-58.5-42.7179176.1-96.4000112.4A29 L30 K35 V41 Q43 M293 I295A29-F33 WeakPolarHBondContact O-CB 3.37Å; A29-F33 PolarHBondContact O-N 2.97Å; L30-F33 PolarHBondContact O-N 3.5Å; F33-K35 VanDerWaalsContact C-N 3.28Å; F33-K35 PolarHBondContact O-N 2.99Å; F33-V41 HydrophobicContact CD2-CG1 4Å; F33-Q43 HydrophobicContact CE2-CB 4.39Å; F33-M293 HydrophobicContact CD1-CE 4.19Å; F33-M293 HydrophobicContact CD1-SD 3.93Å; F33-M293 HydrophobicContact CE1-SD 3.79Å; F33-M293 HydrophobicContact CE2-SD 4.47Å; F33-M293 HydrophobicContact CG-CE 4.46Å; F33-M293 HydrophobicContact CG-SD 4.35Å; F33-M293 HydrophobicContact CZ-SD 4.08Å; F33-I295 HydrophobicContact CB-CD1 3.6Å; F33-I295 HydrophobicContact CD2-CD1 4.36Å; F33-I295 HydrophobicContact CG-CD1 4.09Å
34S94.5Very high89.4Confident12 Ų1255.7 Ų55.78%0.08431%0.306CS..THydrogen-bonded Turntrans-86.412.4-179.1-59.20000114.2L30 G31 K32 E269 G271L30-S34 PolarHBondContact O-N 2.85Å; L30-S34 VanDerWaalsContact O-N 3.16Å; G31-S34 PolarHBondContact O-N 3.18Å; K32-S34 VanDerWaalsContact C-N 3.31Å; K32-S34 PolarHBondContact O-N 3.06Å; S34-E269 VanDerWaalsContact CB-OE2 3.31Å; S34-E269 WeakPolarHBondContact CB-OE2 3.31Å; S34-E269 VanDerWaalsContact OG-CB 3.32Å; S34-E269 WeakPolarHBondContact OG-CB 3.49Å; S34-E269 PolarHBondContact OG-OE2 3.12Å; S34-G271 WeakPolarHBondContact OG-CA 3.44Å
35K90.3Very high89.1Confident96 Ų9654.5 Ų54.542%0.41730%0.298SS..SBendtrans-75.8144.8168.5-74.4-177.6-176.2178.70109.7G31 K32 F33 D37G31-K35 WeakPolarHBondContact O-CG 3.22Å; G31-K35 PolarHBondContact O-N 2.95Å; K32-K35 WeakPolarHBondContact O-CB 3.08Å; K32-K35 PolarHBondContact O-N 2.75Å; F33-K35 VanDerWaalsContact C-N 3.28Å; F33-K35 PolarHBondContact O-N 2.99Å; K35-D37 PolarHBondContact O-N 2.94Å; K35-D37 VanDerWaalsContact O-N 3.15Å
36L64.9Low88.9Confident184 Ų18452 Ų5296%0.96329%0.288SS*.SBendtrans-68.9-8.8-179.7-64.1172000113.9
37D67.3Low88.7Confident107 Ų10755.9 Ų55.957%0.57231%0.312SS*.  trans-98.991.1173.5-164.7-8.9000109.8K35 A39K35-D37 PolarHBondContact O-N 2.94Å; K35-D37 VanDerWaalsContact O-N 3.15Å; D37-A39 PolarHBondContact O-N 3.42Å; D37-A39 VanDerWaalsContact O-N 3.08Å
38S62.2Low88.4Confident100 Ų10057.5 Ų57.570%0.69933%0.325SS*.THydrogen-bonded Turntrans-70.72.1-171.9630000114.5
39A70.6Confident88.4Confident62 Ų6256.9 Ų56.951%0.51232%0.321SS..THydrogen-bonded Turntrans-78.3-19.3-176.800000113.7D37 V66D37-A39 PolarHBondContact O-N 3.42Å; D37-A39 VanDerWaalsContact O-N 3.08Å; A39-V66 WeakPolarHBondContact O-CG2 3.49Å
40E84.6Confident88.3Confident43 Ų4360.9 Ų60.920%0.20135%0.347CS..SBendtrans-82.1-23.3-176.9-54.7-164151.500113.5V66 H67E40-V66 PolarHBondContact O-N 3.06Å; E40-H67 VanDerWaalsContact CD-CD2 3.46Å; E40-H67 WeakPolarHBondContact CG-NE2 3.29Å; E40-H67 IonicContact OE1-CD2 3.26Å; E40-H67 PolarHBondContact OE1-CD2 2.64Å; E40-H67 IonicContact OE1-NE2 3.54Å; E40-H67 PolarHBondContact OE1-NE2 2.81Å; E40-H67 IonicContact OE2-CD2 3.44Å
41V91.9Very high88.1Confident17 Ų1763.1 Ų63.110%0.10336%0.359CS..EExtended strand (participates in β ladder)trans-134.5110.1-175179.80000109.5K32 F33 I295K32-V41 HydrophobicContact CB-CG2 3.92Å; F33-V41 HydrophobicContact CD2-CG1 4Å; V41-I295 HydrophobicContact CG1-CG2 3.4Å; V41-I295 VanDerWaalsContact CG1-CG2 3.4Å
42I93.4Very high87.9Confident92 Ų9270.9 Ų70.947%0.47239%0.394SS..EExtended strand (participates in β ladder)trans-102.2106.6177.6-60.9166.7000108A63 Y64 V66I42-A63 WeakPolarHBondContact O-CA 3.29Å; I42-Y64 HydrophobicContact CD1-CD1 4.07Å; I42-Y64 PolarHBondContact N-O 3.07Å; I42-Y64 PolarHBondContact O-N 3.43Å; I42-V66 HydrophobicContact CD1-CG2 4.23Å
43Q94.2Very high87.8Confident32 Ų3277.2 Ų77.215%0.1542%0.422CS..  trans-139106.4176.9178.8-176.8-89.200109.3F33 I295F33-Q43 HydrophobicContact CE2-CB 4.39Å; Q43-I295 HydrophobicContact CB-CG2 4.25Å
44P93.2Very high87.6Confident68 Ų6881.9 Ų81.944%0.44244%0.439SS..PPolyproline II helixtrans-68.9156.3167.231.7-34.7000110.2P62P44-P62 HydrophobicContact CG-CG 3.69Å
45V91.9Very high87.4Confident39 Ų3985.9 Ų85.924%0.23646%0.46CS..PPolyproline II helixtrans-55.7144.9167.2179.30000109.6T47 E250 A254V45-T47 PolarHBondContact O-N 3.18Å; V45-E250 HydrophobicContact CG2-CB 3.99Å; V45-E250 HydrophobicContact CG2-CG 3.43Å; V45-E250 VanDerWaalsContact CG2-CG 3.43Å; V45-E250 WeakPolarHBondContact CG2-OE1 3.45Å; V45-A254 HydrophobicContact CG1-CB 4.21Å
46R94.1Very high87.4Confident34 Ų3481.7 Ų81.713%0.12844%0.444CS..PPolyproline II helixtrans-49.8128.4178.3179.4-177.8-56.3167.68.9110.5T48 L60 M61 E255 L291 G292R46-T48 HydrophobicContact CG-CG2 4.22Å; R46-L60 WeakPolarHBondContact CA-O 3.4Å; R46-M61 HydrophobicContact CB-CG 4.26Å; R46-M61 HydrophobicContact CG-CG 3.88Å; R46-M61 VanDerWaalsContact CZ-SD 3.53Å; R46-M61 PolarHBondContact NE-SD 2.74Å; R46-M61 PolarHBondContact NH2-SD 3.21Å; R46-E255 WeakPolarHBondContact CB-OE1 3.49Å; R46-E255 WeakPolarHBondContact CD-OE1 3.38Å; R46-E255 IonicContact CZ-OE1 2.73Å; R46-E255 IonicContact NE-OE1 3.91Å; R46-E255 IonicContact NH1-OE1 3.49Å; R46-L291 PolarHBondContact NH2-O 3.22Å; R46-G292 PolarHBondContact NH2-O 3.32Å
47T94.9Very high88.7Confident82 Ų8273.7 Ų73.750%0.50340%0.401SS..EExtended strand (participates in β ladder)trans-91133.5170.1-59.70000109.2V45 G59 L60V45-T47 PolarHBondContact O-N 3.18Å; T47-G59 CarbonylContact O-C 3.59Å; T47-G59 WeakPolarHBondContact O-CA 3.5Å; T47-L60 HydrophobicContact CG2-CD1 4.45Å; T47-L60 PolarHBondContact N-O 2.76Å; T47-L60 VanDerWaalsContact N-O 3.17Å; T47-L60 PolarHBondContact O-N 2.98Å
48T93.8Very high90.1Very high74 Ų7470.8 Ų70.845%0.45439%0.386SS..EExtended strand (participates in β ladder)trans-117.3134.3178.960.80000112.1R46 F57 L58R46-T48 HydrophobicContact CG-CG2 4.22Å; T48-F57 HydrophobicContact CG2-CD2 4.19Å; T48-L58 CarbonylContact C-O 3.53Å; T48-L58 VanDerWaalsContact CA-O 3.29Å; T48-L58 WeakPolarHBondContact CA-O 3.4Å
49V95.6Very high91.7Very high68 Ų6866 Ų6641%0.41235%0.352SS..EExtended strand (participates in β ladder)trans-105.2110.5168.8-1780000108.2L51 F57 L58 L60V49-L51 PolarHBondContact O-N 2.78Å; V49-F57 CarbonylContact O-C 3.57Å; V49-F57 VanDerWaalsContact O-CA 3.28Å; V49-F57 WeakPolarHBondContact O-CA 3.2Å; V49-L58 HydrophobicContact CB-CB 4.3Å; V49-L58 PolarHBondContact N-O 3.32Å; V49-L58 PolarHBondContact O-N 2.86Å; V49-L60 HydrophobicContact CG2-CD1 4.26Å
50P93.4Very high93Very high86 Ų8665.7 Ų65.756%0.55834%0.341SS*.EExtended strand (participates in β ladder)trans-70.1130.1179.628.1-33.3000110.7Q52P50-Q52 HydrophobicContact CB-CG 4.43Å
51L93.3Very high93.6Very high49 Ų4963.9 Ų63.926%0.25733%0.333SS..EExtended strand (participates in β ladder)trans-105.163.7176.4-56.9176000108.9V49 K53 Y54 N55 G56 Y79V49-L51 PolarHBondContact O-N 2.78Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 3.26Å; L51-Y54 CarbonylContact O-C 3.13Å; L51-Y54 PolarHBondContact O-N 3.14Å; L51-N55 PolarHBondContact O-N 3.15Å; L51-G56 CarbonylContact C-O 3.51Å; L51-G56 WeakPolarHBondContact CA-O 3.31Å; L51-G56 WeakPolarHBondContact CB-O 3.49Å; L51-G56 PolarHBondContact N-O 3.28Å; L51-G56 PolarHBondContact O-N 2.8Å; L51-Y79 HydrophobicContact CD1-CE1 4.3Å
52Q91.6Very high93.9Very high165 Ų16564.9 Ų64.977%0.77134%0.34SS*.G310 helixtrans-51.3-44.7-170.3-69.3-179.1-12.100113.1P50 Y54 N55P50-Q52 HydrophobicContact CB-CG 4.43Å; Q52-Y54 PolarHBondContact O-N 2.8Å; Q52-N55 PolarHBondContact O-N 3.47Å
53K93.7Very high94.1Very high174 Ų17460.7 Ų60.776%0.75732%0.319SS*.G310 helixtrans-54.4-28.8178-179.1178.2176.5-172.10113.6L51L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 3.26Å
54Y91.2Very high94.2Very high135 Ų13562 Ų6253%0.52932%0.323SS..G310 helixtrans-113.811.6-173.6-59.2-72000113.1L51 Q52 G56 Y79L51-Y54 CarbonylContact O-C 3.13Å; L51-Y54 PolarHBondContact O-N 3.14Å; Q52-Y54 PolarHBondContact O-N 2.8Å; Y54-G56 PolarHBondContact O-N 2.78Å; Y54-Y79 WeakPolarHBondContact O-CD1 3.29Å
55N88.9Confident94.3Very high96 Ų9658.8 Ų58.851%0.51330%0.302SS..THydrogen-bonded Turntrans50.841.8-176.3-65.2-26.2000113L51 Q52 K80L51-N55 PolarHBondContact O-N 3.15Å; Q52-N55 PolarHBondContact O-N 3.47Å; N55-K80 HydrophobicContact CB-CB 4.4Å; N55-K80 PolarHBondContact O-N 3.13Å
56G90.8Very high94.4Very high8 Ų859.1 Ų59.18%0.08230%0.304CS..EExtended strand (participates in β ladder)trans-139.9-174.8-17800000113.7L51 Y54 F78L51-G56 CarbonylContact C-O 3.51Å; L51-G56 WeakPolarHBondContact CA-O 3.31Å; L51-G56 WeakPolarHBondContact CB-O 3.49Å; L51-G56 PolarHBondContact N-O 3.28Å; L51-G56 PolarHBondContact O-N 2.8Å; Y54-G56 PolarHBondContact O-N 2.78Å; G56-F78 CarbonylContact C-O 3.54Å; G56-F78 WeakPolarHBondContact CA-O 3.45Å
57F92.5Very high94.1Very high16 Ų1663.1 Ų63.17%0.0732%0.324CS..EExtended strand (participates in β ladder)trans-150.4152.917164.8-91.1000110.6T48 V49 C77 F78 R228T48-F57 HydrophobicContact CG2-CD2 4.19Å; V49-F57 CarbonylContact O-C 3.57Å; V49-F57 VanDerWaalsContact O-CA 3.28Å; V49-F57 WeakPolarHBondContact O-CA 3.2Å; F57-C77 WeakPolarHBondContact O-CA 3.28Å; F57-F78 HydrophobicContact CD1-CB 4.04Å; F57-F78 HydrophobicContact CD1-CD1 4.13Å; F57-F78 HydrophobicContact CE1-CB 3.49Å; F57-F78 VanDerWaalsContact CE1-CB 3.49Å; F57-F78 AromaticContact CE1-CD1 3.5Å; F57-F78 HydrophobicContact CE1-CD1 3.5Å; F57-F78 AromaticContact CE1-CG 3.71Å; F57-F78 HydrophobicContact CE1-CG 3.71Å; F57-F78 HydrophobicContact CE2-CB 4.02Å; F57-F78 HydrophobicContact CZ-CB 3.47Å; F57-F78 VanDerWaalsContact CZ-CB 3.47Å; F57-F78 HydrophobicContact CZ-CD1 4.21Å; F57-F78 AromaticContact CZ-CG 3.96Å; F57-F78 HydrophobicContact CZ-CG 3.96Å; F57-F78 PolarHBondContact N-O 2.82Å; F57-F78 PolarHBondContact O-N 2.76Å; F57-R228 HydrophobicContact CE1-CG 4.5Å
58L96.1Very high94Very high47 Ų4761.8 Ų61.825%0.24631%0.312CS..EExtended strand (participates in β ladder)trans-98.8124.6164.9166.866.2000108.4T48 V49 L60 L75 V76T48-L58 CarbonylContact C-O 3.53Å; T48-L58 VanDerWaalsContact CA-O 3.29Å; T48-L58 WeakPolarHBondContact CA-O 3.4Å; V49-L58 HydrophobicContact CB-CB 4.3Å; V49-L58 PolarHBondContact N-O 3.32Å; V49-L58 PolarHBondContact O-N 2.86Å; L58-L60 HydrophobicContact CD2-CD1 4.46Å; L58-L60 HydrophobicContact CG-CD1 4.29Å; L58-L75 HydrophobicContact CD1-CB 4.36Å; L58-L75 HydrophobicContact CD1-CD2 4.4Å; L58-V76 CarbonylContact C-O 3.4Å; L58-V76 WeakPolarHBondContact CA-O 3.36Å
59G96.2Very high94Very high0 Ų062.8 Ų62.80%032%0.315CS..EExtended strand (participates in β ladder)trans-102.1135.7171.200000111.2T47 V76T47-G59 CarbonylContact O-C 3.59Å; T47-G59 WeakPolarHBondContact O-CA 3.5Å; G59-V76 PolarHBondContact N-O 3.46Å; G59-V76 PolarHBondContact O-N 2.97Å
60L97.7Very high94.1Very high54 Ų5460 Ų6028%0.28330%0.297SS..EExtended strand (participates in β ladder)trans-110.9126.2172.3-59.493.2000109R46 T47 V49 L58 L75R46-L60 WeakPolarHBondContact CA-O 3.4Å; T47-L60 HydrophobicContact CG2-CD1 4.45Å; T47-L60 PolarHBondContact N-O 2.76Å; T47-L60 VanDerWaalsContact N-O 3.17Å; T47-L60 PolarHBondContact O-N 2.98Å; V49-L60 HydrophobicContact CG2-CD1 4.26Å; L58-L60 HydrophobicContact CD2-CD1 4.46Å; L58-L60 HydrophobicContact CG-CD1 4.29Å; L60-L75 HydrophobicContact CD2-CD2 4.02Å; L60-L75 HydrophobicContact CG-CD2 4.03Å
61M98.1Very high94.4Very high6 Ų658.2 Ų58.23%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-128.574-178-60.1174.86300110R46 K74 V76 G292 M293 D297R46-M61 HydrophobicContact CB-CG 4.26Å; R46-M61 HydrophobicContact CG-CG 3.88Å; R46-M61 VanDerWaalsContact CZ-SD 3.53Å; R46-M61 PolarHBondContact NE-SD 2.74Å; R46-M61 PolarHBondContact NH2-SD 3.21Å; M61-K74 HydrophobicContact CB-CB 4.31Å; M61-K74 PolarHBondContact N-O 2.79Å; M61-K74 PolarHBondContact O-N 2.98Å; M61-K74 VanDerWaalsContact O-N 3.13Å; M61-K74 WeakPolarHBondContact SD-CE 3.48Å; M61-K74 PolarHBondContact SD-NZ 3.39Å; M61-V76 HydrophobicContact SD-CG1 4.34Å; M61-G292 WeakPolarHBondContact CE-O 3.42Å; M61-M293 VanDerWaalsContact CE-C 3.41Å; M61-D297 WeakPolarHBondContact CE-OD2 3.28Å
62P98Very high94.6Very high38 Ų3856 Ų5625%0.24727%0.271CS..EExtended strand (participates in β ladder)trans-74.3145.5172.532.6-34.1000110.7P44 C72 T73P44-P62 HydrophobicContact CG-CG 3.69Å; P62-C72 CarbonylContact C-O 3.58Å; P62-C72 WeakPolarHBondContact CA-O 3.48Å; P62-T73 HydrophobicContact CB-CG2 4.35Å; P62-T73 WeakPolarHBondContact CB-OG1 3.45Å
63A97.4Very high94.9Very high3 Ų349.3 Ų49.33%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-149.3144.117100000110.6I42 C72 G294 I295 A298I42-A63 WeakPolarHBondContact O-CA 3.29Å; A63-C72 PolarHBondContact N-O 3.18Å; A63-C72 PolarHBondContact O-N 3.37Å; A63-G294 VanDerWaalsContact CB-C 3.46Å; A63-I295 HydrophobicContact CB-CG2 3.85Å; A63-A298 HydrophobicContact CB-CB 4.29Å
64Y97Very high95.2Very high60 Ų6041.1 Ų41.124%0.23521%0.206CC..EExtended strand (participates in β ladder)trans-128.8120.1172.1179.4-137.3000110.2I42 V66 I70 L71 P99I42-Y64 HydrophobicContact CD1-CD1 4.07Å; I42-Y64 PolarHBondContact N-O 3.07Å; I42-Y64 PolarHBondContact O-N 3.43Å; Y64-V66 HydrophobicContact CD1-CG2 3.98Å; Y64-V66 HydrophobicContact CE1-CB 4.32Å; Y64-V66 HydrophobicContact CE1-CG2 3.72Å; Y64-I70 VanDerWaalsContact CA-O 3.31Å; Y64-I70 WeakPolarHBondContact CA-O 3.29Å; Y64-I70 WeakPolarHBondContact CD2-O 3.24Å; Y64-L71 HydrophobicContact CD2-CB 4.01Å; Y64-L71 HydrophobicContact CD2-CD1 4.43Å; Y64-L71 HydrophobicContact CG-CD1 4.38Å; Y64-P99 HydrophobicContact CE2-CB 3.82Å; Y64-P99 HydrophobicContact CE2-CG 4.47Å
65L95.2Very high95.5Very high1 Ų137.4 Ų37.41%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-99.9110.1170.9-68.680.7000107.7E68 D69 I70 I295 A298 V299L65-E68 HydrophobicContact CB-CB 4.28Å; L65-E68 PolarHBondContact O-N 3.28Å; L65-D69 PolarHBondContact O-N 2.82Å; L65-I70 HydrophobicContact CB-CB 4.26Å; L65-I70 HydrophobicContact CD1-CB 4.32Å; L65-I70 HydrophobicContact CD2-CD1 4.47Å; L65-I70 PolarHBondContact N-O 3.2Å; L65-I70 PolarHBondContact O-N 3.5Å; L65-I295 HydrophobicContact CD1-CB 4.39Å; L65-I295 HydrophobicContact CD1-CG2 4.09Å; L65-A298 HydrophobicContact CD1-CB 3.84Å; L65-V299 HydrophobicContact CD2-CG1 3.76Å
66V92.1Very high95.9Very high45 Ų4533.4 Ų33.427%0.27317%0.174SC..THydrogen-bonded Turntrans-65.7-49.7-165.9-179.90000111.7A39 E40 I42 Y64 E68 D69A39-V66 WeakPolarHBondContact O-CG2 3.49Å; E40-V66 PolarHBondContact O-N 3.06Å; I42-V66 HydrophobicContact CD1-CG2 4.23Å; Y64-V66 HydrophobicContact CD1-CG2 3.98Å; Y64-V66 HydrophobicContact CE1-CB 4.32Å; Y64-V66 HydrophobicContact CE1-CG2 3.72Å; V66-E68 VanDerWaalsContact C-N 3.29Å; V66-E68 PolarHBondContact O-N 2.95Å; V66-D69 PolarHBondContact O-N 3.32Å
67H89.6Confident96Very high119 Ų11934.5 Ų34.555%0.55118%0.18SC*.THydrogen-bonded Turntrans-75.6-17-175.3-63.1-56.6000114E40E40-H67 VanDerWaalsContact CD-CD2 3.46Å; E40-H67 WeakPolarHBondContact CG-NE2 3.29Å; E40-H67 IonicContact OE1-CD2 3.26Å; E40-H67 PolarHBondContact OE1-CD2 2.64Å; E40-H67 IonicContact OE1-NE2 3.54Å; E40-H67 PolarHBondContact OE1-NE2 2.81Å; E40-H67 IonicContact OE2-CD2 3.44Å
68E92.3Very high95.9Very high54 Ų5435.7 Ų35.725%0.25219%0.185SC..THydrogen-bonded Turntrans-100.8-2.6179.4-67.2101.2136.600113.6K32 L65 V66 I70K32-E68 WeakPolarHBondContact CE-OE1 3.47Å; K32-E68 IonicContact NZ-OE1 3.31Å; K32-E68 PolarHBondContact NZ-OE1 3.02Å; K32-E68 IonicContact NZ-OE2 3.56Å; K32-E68 PolarHBondContact NZ-OE2 2.91Å; L65-E68 HydrophobicContact CB-CB 4.28Å; L65-E68 PolarHBondContact O-N 3.28Å; V66-E68 VanDerWaalsContact C-N 3.29Å; V66-E68 PolarHBondContact O-N 2.95Å; E68-I70 HydrophobicContact CB-CD1 3.63Å; E68-I70 HydrophobicContact CB-CG1 3.67Å; E68-I70 HydrophobicContact CG-CD1 4.44Å; E68-I70 WeakPolarHBondContact O-CG1 3.47Å; E68-I70 PolarHBondContact O-N 2.73Å
69D94.4Very high95.5Very high95 Ų9535.5 Ų35.551%0.50818%0.182SC..THydrogen-bonded Turntrans50.544.8-175.1-74.2-37.5000112.7L65 V66 P99L65-D69 PolarHBondContact O-N 2.82Å; V66-D69 PolarHBondContact O-N 3.32Å; D69-P99 HydrophobicContact CB-CG 3.84Å
70I97.3Very high94.9Very high8 Ų841.2 Ų41.24%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-108.299.7178.9-50.5173.1000109Y64 L65 E68 L96 A298 V299 K302Y64-I70 VanDerWaalsContact CA-O 3.31Å; Y64-I70 WeakPolarHBondContact CA-O 3.29Å; Y64-I70 WeakPolarHBondContact CD2-O 3.24Å; L65-I70 HydrophobicContact CB-CB 4.26Å; L65-I70 HydrophobicContact CD1-CB 4.32Å; L65-I70 HydrophobicContact CD2-CD1 4.47Å; L65-I70 PolarHBondContact N-O 3.2Å; L65-I70 PolarHBondContact O-N 3.5Å; E68-I70 HydrophobicContact CB-CD1 3.63Å; E68-I70 HydrophobicContact CB-CG1 3.67Å; E68-I70 HydrophobicContact CG-CD1 4.44Å; E68-I70 WeakPolarHBondContact O-CG1 3.47Å; E68-I70 PolarHBondContact O-N 2.73Å; I70-L96 HydrophobicContact CG2-CD1 4.15Å; I70-A298 HydrophobicContact CG2-CB 3.84Å; I70-V299 HydrophobicContact CD1-CG1 4.21Å; I70-K302 HydrophobicContact CD1-CB 3.89Å; I70-K302 HydrophobicContact CD1-CG 3.76Å; I70-K302 HydrophobicContact CG1-CB 4.21Å; I70-K302 HydrophobicContact CG1-CD 4.24Å; I70-K302 HydrophobicContact CG1-CG 3.97Å; I70-K302 HydrophobicContact CG2-CB 4.15Å
71L98.3Very high94.3Very high50 Ų5042.3 Ų42.326%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-103.1119.2167.9178.461.7000109.6Y64 F97 P99Y64-L71 HydrophobicContact CD2-CB 4.01Å; Y64-L71 HydrophobicContact CD2-CD1 4.43Å; Y64-L71 HydrophobicContact CG-CD1 4.38Å; L71-F97 HydrophobicContact CB-CB 4.09Å; L71-F97 HydrophobicContact CD2-CB 3.74Å; L71-F97 HydrophobicContact CD2-CG 4.29Å; L71-F97 HydrophobicContact CG-CB 3.8Å; L71-F97 HydrophobicContact CG-CD2 4.26Å; L71-F97 HydrophobicContact CG-CG 4.25Å; L71-F97 PolarHBondContact O-N 3.5Å; L71-P99 HydrophobicContact CB-CB 4.13Å
72C98.3Very high93.6Very high1 Ų148.7 Ų48.71%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-141.8148.6-173.9176.10000111.1P62 A63 V94 L95 L96 A298P62-C72 CarbonylContact C-O 3.58Å; P62-C72 WeakPolarHBondContact CA-O 3.48Å; A63-C72 PolarHBondContact N-O 3.18Å; A63-C72 PolarHBondContact O-N 3.37Å; C72-V94 WeakPolarHBondContact SG-CG1 3.33Å; C72-L95 CarbonylContact C-O 3.57Å; C72-L95 VanDerWaalsContact CA-O 3.28Å; C72-L95 WeakPolarHBondContact CA-O 3.37Å; C72-L96 HydrophobicContact CB-CD1 4.3Å; C72-A298 HydrophobicContact CB-CB 3.6Å
73T98.6Very high92.6Very high26 Ų2652 Ų5216%0.1626%0.261CS..EExtended strand (participates in β ladder)trans-135.3126.6166.2-62.20000110.1P62 L95P62-T73 HydrophobicContact CB-CG2 4.35Å; P62-T73 WeakPolarHBondContact CB-OG1 3.45Å; T73-L95 PolarHBondContact N-O 3.02Å; T73-L95 PolarHBondContact O-N 3.49Å
74K98.6Very high91.7Very high2 Ų254.7 Ų54.71%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-92.2132.8164.1-176.9178.770-164.10110.2M61 A92 T93 V94 D297M61-K74 HydrophobicContact CB-CB 4.31Å; M61-K74 PolarHBondContact N-O 2.79Å; M61-K74 PolarHBondContact O-N 2.98Å; M61-K74 VanDerWaalsContact O-N 3.13Å; M61-K74 WeakPolarHBondContact SD-CE 3.48Å; M61-K74 PolarHBondContact SD-NZ 3.39Å; K74-A92 HydrophobicContact CD-CB 4.23Å; K74-A92 HydrophobicContact CG-CB 4.39Å; K74-T93 WeakPolarHBondContact CA-O 3.32Å; K74-V94 HydrophobicContact CB-CG2 4.06Å; K74-V94 HydrophobicContact CD-CG2 4.25Å; K74-V94 HydrophobicContact CG-CG2 3.9Å; K74-D297 HydrophobicContact CB-CB 4.17Å; K74-D297 HydrophobicContact CD-CB 4.42Å; K74-D297 WeakPolarHBondContact CE-OD2 3.47Å; K74-D297 IonicContact NZ-OD1 3.27Å; K74-D297 PolarHBondContact NZ-OD1 3.45Å; K74-D297 IonicContact NZ-OD2 3.99Å; K74-D297 PolarHBondContact NZ-OD2 3.24Å
75L98.3Very high91Very high57 Ų5754.5 Ų54.530%0.29830%0.296SS..EExtended strand (participates in β ladder)trans-105.3123167.6-63.3157000106.7L58 L60 A92 T93 L95L58-L75 HydrophobicContact CD1-CB 4.36Å; L58-L75 HydrophobicContact CD1-CD2 4.4Å; L60-L75 HydrophobicContact CD2-CD2 4.02Å; L60-L75 HydrophobicContact CG-CD2 4.03Å; L75-A92 CarbonylContact O-C 3.58Å; L75-A92 VanDerWaalsContact O-CA 3.24Å; L75-A92 WeakPolarHBondContact O-CA 3.32Å; L75-T93 PolarHBondContact N-O 2.78Å; L75-T93 PolarHBondContact O-N 2.98Å; L75-L95 HydrophobicContact CD1-CD1 3.99Å; L75-L95 HydrophobicContact CD1-CG 4.45Å
76V96.5Very high90.5Very high12 Ų1261.1 Ų61.17%0.07334%0.337CS..EExtended strand (participates in β ladder)trans-131.4124.2-179.758.10000110.8L58 G59 M61 T90 Q91 A92L58-V76 CarbonylContact C-O 3.4Å; L58-V76 WeakPolarHBondContact CA-O 3.36Å; G59-V76 PolarHBondContact N-O 3.46Å; G59-V76 PolarHBondContact O-N 2.97Å; M61-V76 HydrophobicContact SD-CG1 4.34Å; V76-T90 HydrophobicContact CG2-CG2 3.64Å; V76-Q91 CarbonylContact C-O 3.57Å; V76-Q91 WeakPolarHBondContact CA-O 3.31Å; V76-A92 HydrophobicContact CB-CB 4.12Å; V76-A92 HydrophobicContact CG2-CB 4.1Å
77C94.3Very high90.2Very high31 Ų3163.7 Ų63.721%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-97.4129.6169.9-69.80000109.4F57 Y79 T90 Q91F57-C77 WeakPolarHBondContact O-CA 3.28Å; C77-Y79 HydrophobicContact CB-CD2 4.36Å; C77-Y79 HydrophobicContact CB-CE2 3.63Å; C77-T90 CarbonylContact O-C 3.57Å; C77-T90 VanDerWaalsContact O-CA 3.25Å; C77-T90 WeakPolarHBondContact O-CA 3.21Å; C77-Q91 PolarHBondContact N-O 3.35Å; C77-Q91 PolarHBondContact O-N 2.91Å
78F89.4Confident89.9Confident40 Ų4060.5 Ų60.518%0.17534%0.338CS..EExtended strand (participates in β ladder)trans-117.2137.1170.9-179.8-82.4000109.8G56 F57 S89 T90 W231G56-F78 CarbonylContact C-O 3.54Å; G56-F78 WeakPolarHBondContact CA-O 3.45Å; F57-F78 HydrophobicContact CD1-CB 4.04Å; F57-F78 HydrophobicContact CD1-CD1 4.13Å; F57-F78 HydrophobicContact CE1-CB 3.49Å; F57-F78 VanDerWaalsContact CE1-CB 3.49Å; F57-F78 AromaticContact CE1-CD1 3.5Å; F57-F78 HydrophobicContact CE1-CD1 3.5Å; F57-F78 AromaticContact CE1-CG 3.71Å; F57-F78 HydrophobicContact CE1-CG 3.71Å; F57-F78 HydrophobicContact CE2-CB 4.02Å; F57-F78 HydrophobicContact CZ-CB 3.47Å; F57-F78 VanDerWaalsContact CZ-CB 3.47Å; F57-F78 HydrophobicContact CZ-CD1 4.21Å; F57-F78 AromaticContact CZ-CG 3.96Å; F57-F78 HydrophobicContact CZ-CG 3.96Å; F57-F78 PolarHBondContact N-O 2.82Å; F57-F78 PolarHBondContact O-N 2.76Å; F78-S89 CarbonylContact C-O 3.56Å; F78-S89 WeakPolarHBondContact CA-O 3.31Å; F78-T90 WeakPolarHBondContact CD2-OG1 3.47Å; F78-W231 AromaticContact CE1-CH2 3.61Å; F78-W231 HydrophobicContact CE1-CH2 3.61Å; F78-W231 AromaticContact CE1-CZ3 3.87Å; F78-W231 HydrophobicContact CE1-CZ3 3.87Å; F78-W231 AromaticContact CZ-CH2 4Å; F78-W231 HydrophobicContact CZ-CH2 4Å; F78-W231 AromaticContact CZ-CZ3 3.84Å; F78-W231 HydrophobicContact CZ-CZ3 3.84Å
79Y88.7Confident89.6Confident44 Ų4460.4 Ų60.417%0.17334%0.344CS..EExtended strand (participates in β ladder)trans-129.5130.2179.3-65.8-88.1000110.5L51 Y54 C77 R81 S89L51-Y79 HydrophobicContact CD1-CE1 4.3Å; Y54-Y79 WeakPolarHBondContact O-CD1 3.29Å; C77-Y79 HydrophobicContact CB-CD2 4.36Å; C77-Y79 HydrophobicContact CB-CE2 3.63Å; Y79-R81 VanDerWaalsContact CG-CZ 3.48Å; Y79-R81 PolarHBondContact O-N 3.49Å; Y79-R81 VanDerWaalsContact O-N 3.13Å; Y79-S89 PolarHBondContact N-O 3.01Å
80K83.9Confident89.3Confident119 Ų11958 Ų5852%0.51733%0.332SS..  trans-73.1104.1164.2-172.8175-178.6176.10107.6N55 W231N55-K80 HydrophobicContact CB-CB 4.4Å; N55-K80 PolarHBondContact O-N 3.13Å; K80-W231 HydrophobicContact CD-CZ2 4.5Å
81R84.4Confident89.1Confident78 Ų7862.2 Ų62.229%0.29435%0.352SS..PPolyproline II helixtrans-90144.9178.2-59.2-59.1-173.3-166.4-1.8110.4Y79 P88Y79-R81 VanDerWaalsContact CG-CZ 3.48Å; Y79-R81 PolarHBondContact O-N 3.49Å; Y79-R81 VanDerWaalsContact O-N 3.13Å; R81-P88 PolarHBondContact NE-O 3.36Å; R81-P88 PolarHBondContact NH2-O 3.48Å
82E83.5Confident89.1Confident139 Ų13960.1 Ų60.165%0.6534%0.341SS*.PPolyproline II helixtrans-65.4153.8170.2-64.4-54.814400111.1G84 S85E82-G84 PolarHBondContact O-N 3.12Å; E82-S85 WeakPolarHBondContact O-CB 3.38Å; E82-S85 PolarHBondContact O-N 3.39Å; E82-S85 VanDerWaalsContact O-N 3.09Å
83S76.9Confident89.1Confident109 Ų10962.9 Ų62.976%0.76236%0.359SS*.THydrogen-bonded Turntrans-56129.8175.4-170.90000110.3
84G77.6Confident89.1Confident59 Ų5961.7 Ų61.761%0.60835%0.351SS*.THydrogen-bonded Turntrans85.7-0.9-17900000115.6E82E82-G84 PolarHBondContact O-N 3.12Å
85S82.4Confident89.1Confident55 Ų5563.2 Ų63.239%0.38536%0.359SS..  trans-61.2138.9174-169.70000112E82 L87E82-S85 WeakPolarHBondContact O-CB 3.38Å; E82-S85 PolarHBondContact O-N 3.39Å; E82-S85 VanDerWaalsContact O-N 3.09Å; S85-L87 PolarHBondContact OG-N 2.73Å
86T84.6Confident89.1Confident141 Ų14160.7 Ų60.787%0.86535%0.346SS*.  trans-90-8.3173.155.80000113
87L86.9Confident89.2Confident98 Ų9862.1 Ų62.151%0.51335%0.351SS..SBendtrans-75.9142.4-179.9-63.8177.8000110.6S85 S89S85-L87 PolarHBondContact OG-N 2.73Å; L87-S89 PolarHBondContact O-N 3.21Å
88P83.4Confident89.3Confident52 Ų5261.9 Ų61.934%0.33835%0.348SS..  trans-61.2137.2175.625.2-32.9000110.5R81 T90 Q91R81-P88 PolarHBondContact NE-O 3.36Å; R81-P88 PolarHBondContact NH2-O 3.48Å; P88-T90 VanDerWaalsContact C-N 3.34Å; P88-Q91 HydrophobicContact CB-CG 4.03Å; P88-Q91 HydrophobicContact CG-CG 3.72Å
89S84.8Confident89.6Confident53 Ų5361.9 Ų61.937%0.37135%0.352SS..SBendtrans-80.7-18.8174.756.80000112.3F78 Y79 L87F78-S89 CarbonylContact C-O 3.56Å; F78-S89 WeakPolarHBondContact CA-O 3.31Å; Y79-S89 PolarHBondContact N-O 3.01Å; L87-S89 PolarHBondContact O-N 3.21Å
90T88.4Confident89.8Confident43 Ų4366.9 Ų66.926%0.26438%0.377SS..EExtended strand (participates in β ladder)trans-140.7134.3177.9-55.10000108.4V76 C77 F78 P88V76-T90 HydrophobicContact CG2-CG2 3.64Å; C77-T90 CarbonylContact O-C 3.57Å; C77-T90 VanDerWaalsContact O-CA 3.25Å; C77-T90 WeakPolarHBondContact O-CA 3.21Å; F78-T90 WeakPolarHBondContact CD2-OG1 3.47Å; P88-T90 VanDerWaalsContact C-N 3.34Å
91Q93.6Very high90.2Very high98 Ų9869 Ų6946%0.45838%0.383SS..EExtended strand (participates in β ladder)trans-133138.3167.7-65.3-154.6-78.500108.5V76 C77 P88 E111V76-Q91 CarbonylContact C-O 3.57Å; V76-Q91 WeakPolarHBondContact CA-O 3.31Å; C77-Q91 PolarHBondContact N-O 3.35Å; C77-Q91 PolarHBondContact O-N 2.91Å; P88-Q91 HydrophobicContact CB-CG 4.03Å; P88-Q91 HydrophobicContact CG-CG 3.72Å; Q91-E111 PolarHBondContact NE2-OE1 3.16Å
92A97.2Very high90.7Very high5 Ų567.6 Ų67.64%0.04139%0.393CS..EExtended strand (participates in β ladder)trans-138146.5-178.300000111.9K74 L75 V76 G110K74-A92 HydrophobicContact CD-CB 4.23Å; K74-A92 HydrophobicContact CG-CB 4.39Å; L75-A92 CarbonylContact O-C 3.58Å; L75-A92 VanDerWaalsContact O-CA 3.24Å; L75-A92 WeakPolarHBondContact O-CA 3.32Å; V76-A92 HydrophobicContact CB-CB 4.12Å; V76-A92 HydrophobicContact CG2-CB 4.1Å; A92-G110 VanDerWaalsContact O-CA 3.23Å; A92-G110 WeakPolarHBondContact O-CA 3.33Å; A92-G110 PolarHBondContact O-N 3.45Å
93T98.6Very high91.2Very high60 Ų6063.1 Ų63.137%0.36837%0.374SS..EExtended strand (participates in β ladder)trans-131.7136.8172.1-57.20000108.2K74 L75 L95 V107K74-T93 WeakPolarHBondContact CA-O 3.32Å; L75-T93 PolarHBondContact N-O 2.78Å; L75-T93 PolarHBondContact O-N 2.98Å; T93-L95 HydrophobicContact CG2-CD2 4.3Å; T93-V107 HydrophobicContact CG2-CG1 3.64Å
94V98.8Very high92.2Very high0 Ų059.9 Ų59.90%035%0.349CS..EExtended strand (participates in β ladder)trans-112.5128.7178.1-176.90000109.7C72 K74 M108 I113 A301C72-V94 WeakPolarHBondContact SG-CG1 3.33Å; K74-V94 HydrophobicContact CB-CG2 4.06Å; K74-V94 HydrophobicContact CD-CG2 4.25Å; K74-V94 HydrophobicContact CG-CG2 3.9Å; V94-M108 HydrophobicContact CB-CB 4.5Å; V94-M108 PolarHBondContact N-O 3.33Å; V94-M108 PolarHBondContact O-N 3.45Å; V94-I113 HydrophobicContact CB-CD1 4.09Å; V94-I113 HydrophobicContact CG2-CB 4.48Å; V94-I113 HydrophobicContact CG2-CD1 3.94Å; V94-I113 HydrophobicContact CG2-CG2 4.33Å; V94-A301 HydrophobicContact CG1-CB 3.65Å
95L98.8Very high93.2Very high35 Ų3559.5 Ų59.518%0.18333%0.331CS..EExtended strand (participates in β ladder)trans-107.4122.5176.5-56.7-178.6000108.8C72 T73 L75 T93 F97 V107C72-L95 CarbonylContact C-O 3.57Å; C72-L95 VanDerWaalsContact CA-O 3.28Å; C72-L95 WeakPolarHBondContact CA-O 3.37Å; T73-L95 PolarHBondContact N-O 3.02Å; T73-L95 PolarHBondContact O-N 3.49Å; L75-L95 HydrophobicContact CD1-CD1 3.99Å; L75-L95 HydrophobicContact CD1-CG 4.45Å; T93-L95 HydrophobicContact CG2-CD2 4.3Å; L95-F97 HydrophobicContact CB-CD2 4.36Å; L95-F97 HydrophobicContact CB-CE2 3.5Å; L95-F97 HydrophobicContact CB-CZ 3.79Å; L95-F97 HydrophobicContact CD1-CE2 4.48Å; L95-F97 HydrophobicContact CD1-CZ 4.01Å; L95-V107 HydrophobicContact CD2-CB 4.19Å; L95-V107 HydrophobicContact CD2-CG1 3.91Å; L95-V107 HydrophobicContact CD2-CG2 3.73Å
96L98.6Very high93.9Very high4 Ų456.9 Ų56.92%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-102.9128.4171.9-17371000108.9I70 C72 K105 A106 M108 F305I70-L96 HydrophobicContact CG2-CD1 4.15Å; C72-L96 HydrophobicContact CB-CD1 4.3Å; L96-K105 PolarHBondContact O-N 2.85Å; L96-A106 HydrophobicContact CB-CB 4.31Å; L96-A106 PolarHBondContact N-O 2.83Å; L96-A106 PolarHBondContact O-N 2.98Å; L96-M108 HydrophobicContact CB-CE 3.86Å; L96-M108 HydrophobicContact CD2-CE 3.93Å; L96-F305 HydrophobicContact CD2-CB 3.67Å; L96-F305 HydrophobicContact CD2-CD1 3.7Å; L96-F305 HydrophobicContact CD2-CD2 4.33Å; L96-F305 HydrophobicContact CD2-CE1 4.41Å; L96-F305 HydrophobicContact CD2-CG 3.65Å
97F98.4Very high94.6Very high41 Ų4152 Ų5218%0.1828%0.282CS..EExtended strand (participates in β ladder)trans-110.3158.9-175.8-61.5-100000111.3L71 L95 N103 V104 K105L71-F97 HydrophobicContact CB-CB 4.09Å; L71-F97 HydrophobicContact CD2-CB 3.74Å; L71-F97 HydrophobicContact CD2-CG 4.29Å; L71-F97 HydrophobicContact CG-CB 3.8Å; L71-F97 HydrophobicContact CG-CD2 4.26Å; L71-F97 HydrophobicContact CG-CG 4.25Å; L71-F97 PolarHBondContact O-N 3.5Å; L95-F97 HydrophobicContact CB-CD2 4.36Å; L95-F97 HydrophobicContact CB-CE2 3.5Å; L95-F97 HydrophobicContact CB-CZ 3.79Å; L95-F97 HydrophobicContact CD1-CE2 4.48Å; L95-F97 HydrophobicContact CD1-CZ 4.01Å; F97-N103 CarbonylContact C-O 3.54Å; F97-N103 WeakPolarHBondContact CA-O 3.17Å; F97-V104 HydrophobicContact CD1-CG2 3.94Å; F97-V104 HydrophobicContact CE1-CG2 3.61Å; F97-V104 HydrophobicContact CZ-CG2 4.28Å; F97-K105 VanDerWaalsContact C-CE 3.45Å; F97-K105 WeakPolarHBondContact O-CE 3.29Å
98D96.3Very high95.2Very high27 Ų2747.5 Ų47.514%0.14426%0.258CS..  trans-81.9117.2160.4-157-65.4000110.1E100 Y101 G102 N103 K105D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 2.79Å; D98-E100 WeakPolarHBondContact OD1-CB 3.38Å; D98-E100 PolarHBondContact OD1-N 2.82Å; D98-Y101 HydrophobicContact CB-CD2 4.47Å; D98-Y101 WeakPolarHBondContact OD1-CD2 3.39Å; D98-Y101 PolarHBondContact OD1-N 2.93Å; D98-G102 WeakPolarHBondContact O-CA 3.4Å; D98-G102 PolarHBondContact O-N 3.5Å; D98-N103 PolarHBondContact N-O 3.37Å; D98-K105 HydrophobicContact CB-CD 4.01Å; D98-K105 HydrophobicContact CB-CG 4.05Å; D98-K105 WeakPolarHBondContact OD2-CD 3.45Å; D98-K105 WeakPolarHBondContact OD2-CE 3.32Å; D98-K105 IonicContact OD2-NZ 2.73Å; D98-K105 PolarHBondContact OD2-NZ 3.41Å
99P95.3Very high95.9Very high39 Ų3946.3 Ų46.325%0.25325%0.249SC..THydrogen-bonded Turntrans-69.5-24.1179.628.1-33.4000113Y64 D69 L71Y64-P99 HydrophobicContact CE2-CB 3.82Å; Y64-P99 HydrophobicContact CE2-CG 4.47Å; D69-P99 HydrophobicContact CB-CG 3.84Å; L71-P99 HydrophobicContact CB-CB 4.13Å
100E94.3Very high96.5Very high149 Ų14943.8 Ų43.870%0.69623%0.232SC*.THydrogen-bonded Turntrans-80-47.2178.8-173.5-179.8-165.500111.2D98D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 2.79Å; D98-E100 WeakPolarHBondContact OD1-CB 3.38Å; D98-E100 PolarHBondContact OD1-N 2.82Å
101Y91.9Very high96.8Very high163 Ų16344.7 Ų44.764%0.63923%0.233SC*.THydrogen-bonded Turntrans-98.8-15.3-173.7-60.6-82000114.4D98 N103D98-Y101 HydrophobicContact CB-CD2 4.47Å; D98-Y101 WeakPolarHBondContact OD1-CD2 3.39Å; D98-Y101 PolarHBondContact OD1-N 2.93Å; Y101-N103 VanDerWaalsContact CB-OD1 3.23Å; Y101-N103 WeakPolarHBondContact CB-OD1 3.49Å; Y101-N103 PolarHBondContact O-N 3.49Å
102G93.8Very high97Very high50 Ų5040.6 Ų40.652%0.51521%0.214SC..  trans74.7-3.3-178.700000115.6D98D98-G102 WeakPolarHBondContact O-CA 3.4Å; D98-G102 PolarHBondContact O-N 3.5Å
103N95.8Very high97.1Very high45 Ų4540.3 Ų40.324%0.24121%0.212CC..  trans-76.4152.3179.168-80.6000112.1A2 F97 D98 Y101 K105A2-N103 HydrophobicContact CB-CB 3.89Å; F97-N103 CarbonylContact C-O 3.54Å; F97-N103 WeakPolarHBondContact CA-O 3.17Å; D98-N103 PolarHBondContact N-O 3.37Å; Y101-N103 VanDerWaalsContact CB-OD1 3.23Å; Y101-N103 WeakPolarHBondContact CB-OD1 3.49Å; Y101-N103 PolarHBondContact O-N 3.49Å; N103-K105 PolarHBondContact O-N 3.12Å
104V97.9Very high97Very high40 Ų4038.2 Ų38.224%0.24220%0.199CC..EExtended strand (participates in β ladder)trans-70.6124.4171.5-174.80000108.5P5 F97 A106 V107P5-V104 HydrophobicContact CB-CB 4.06Å; P5-V104 HydrophobicContact CB-CG1 3.76Å; P5-V104 HydrophobicContact CG-CG1 4.5Å; F97-V104 HydrophobicContact CD1-CG2 3.94Å; F97-V104 HydrophobicContact CE1-CG2 3.61Å; F97-V104 HydrophobicContact CZ-CG2 4.28Å; V104-A106 WeakPolarHBondContact CG1-O 3.31Å; V104-V107 HydrophobicContact CG1-CG2 4.08Å
105K97.2Very high97Very high52 Ų5239.1 Ų39.123%0.22621%0.207CC..EExtended strand (participates in β ladder)trans-86.1-42173.2-73.1-168.2-87.1-145.90111.3P5 V6 L96 F97 D98 N103 F305P5-K105 WeakPolarHBondContact CA-O 3.44Å; V6-K105 PolarHBondContact N-O 2.98Å; L96-K105 PolarHBondContact O-N 2.85Å; F97-K105 VanDerWaalsContact C-CE 3.45Å; F97-K105 WeakPolarHBondContact O-CE 3.29Å; D98-K105 HydrophobicContact CB-CD 4.01Å; D98-K105 HydrophobicContact CB-CG 4.05Å; D98-K105 WeakPolarHBondContact OD2-CD 3.45Å; D98-K105 WeakPolarHBondContact OD2-CE 3.32Å; D98-K105 IonicContact OD2-NZ 2.73Å; D98-K105 PolarHBondContact OD2-NZ 3.41Å; N103-K105 PolarHBondContact O-N 3.12Å; K105-F305 HydrophobicContact CB-CZ 4.16Å; K105-F305 HydrophobicContact CD-CE1 4.46Å
106A98.3Very high97Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-147.7145.7-177.800000112.6V6 I8 L96 V104 M108 F305V6-A106 HydrophobicContact CG2-CB 3.63Å; V6-A106 CarbonylContact O-C 3.56Å; V6-A106 VanDerWaalsContact O-CA 3.29Å; V6-A106 WeakPolarHBondContact O-CA 3.29Å; I8-A106 HydrophobicContact CD1-CB 4.44Å; L96-A106 HydrophobicContact CB-CB 4.31Å; L96-A106 PolarHBondContact N-O 2.83Å; L96-A106 PolarHBondContact O-N 2.98Å; V104-A106 WeakPolarHBondContact CG1-O 3.31Å; A106-M108 HydrophobicContact CB-CE 3.45Å; A106-M108 VanDerWaalsContact CB-CE 3.45Å; A106-M108 HydrophobicContact CB-CG 4.25Å; A106-F305 HydrophobicContact CB-CD2 3.77Å; A106-F305 HydrophobicContact CB-CE2 4Å
107V98.7Very high97Very high38 Ų3839.7 Ų39.723%0.2321%0.207CC..EExtended strand (participates in β ladder)trans-112.3122.8166.3-175.80000106.9P5 V6 L7 I8 T93 L95 V104P5-V107 HydrophobicContact CB-CG2 4.26Å; P5-V107 HydrophobicContact CG-CG2 4.48Å; V6-V107 PolarHBondContact O-N 3.49Å; L7-V107 WeakPolarHBondContact CA-O 3.36Å; L7-V107 HydrophobicContact CD1-CB 4.09Å; L7-V107 HydrophobicContact CD1-CG1 4.11Å; I8-V107 PolarHBondContact N-O 2.73Å; T93-V107 HydrophobicContact CG2-CG1 3.64Å; L95-V107 HydrophobicContact CD2-CB 4.19Å; L95-V107 HydrophobicContact CD2-CG1 3.91Å; L95-V107 HydrophobicContact CD2-CG2 3.73Å; V104-V107 HydrophobicContact CG1-CG2 4.08Å
108M98.6Very high97Very high3 Ų338 Ų382%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-125.3150.7-173-48.4-179.1-162.600111.3I8 V13 V94 L96 A106 G110 I113 A301 V304 F305I8-M108 HydrophobicContact CB-CB 4.45Å; I8-M108 HydrophobicContact CB-CG 4.12Å; I8-M108 HydrophobicContact CD1-CE 4.18Å; I8-M108 HydrophobicContact CD1-CG 4.16Å; I8-M108 HydrophobicContact CD1-SD 4.27Å; I8-M108 HydrophobicContact CG1-CG 4.39Å; I8-M108 WeakPolarHBondContact O-CA 3.39Å; V13-M108 HydrophobicContact CG2-CB 4.49Å; V94-M108 HydrophobicContact CB-CB 4.5Å; V94-M108 PolarHBondContact N-O 3.33Å; V94-M108 PolarHBondContact O-N 3.45Å; L96-M108 HydrophobicContact CB-CE 3.86Å; L96-M108 HydrophobicContact CD2-CE 3.93Å; A106-M108 HydrophobicContact CB-CE 3.45Å; A106-M108 VanDerWaalsContact CB-CE 3.45Å; A106-M108 HydrophobicContact CB-CG 4.25Å; M108-G110 PolarHBondContact O-N 3.08Å; M108-I113 HydrophobicContact CB-CD1 4.16Å; M108-I113 HydrophobicContact SD-CD1 4.23Å; M108-A301 HydrophobicContact CE-CB 4.14Å; M108-A301 WeakPolarHBondContact CE-O 2.97Å; M108-A301 HydrophobicContact SD-CB 3.92Å; M108-V304 HydrophobicContact SD-CB 4Å; M108-V304 HydrophobicContact SD-CG1 3.82Å; M108-F305 HydrophobicContact CE-CB 3.72Å; M108-F305 HydrophobicContact CE-CD2 4.33Å; M108-F305 HydrophobicContact CE-CG 4.37Å
109D98Very high97.1Very high27 Ų2736.7 Ų36.714%0.14419%0.193CC..EExtended strand (participates in β ladder)trans-55.6121.2164.9-179.4-95000110.5I8 Q10 V13 E111 V112 I113I8-D109 PolarHBondContact O-N 3.25Å; I8-D109 VanDerWaalsContact O-N 3.14Å; Q10-D109 HydrophobicContact CB-CB 4.06Å; V13-D109 HydrophobicContact CG2-CB 4.05Å; D109-E111 PolarHBondContact OD1-N 3.49Å; D109-E111 VanDerWaalsContact OD1-N 3.1Å; D109-V112 WeakPolarHBondContact OD1-CB 3.4Å; D109-V112 WeakPolarHBondContact OD1-CG2 3.27Å; D109-V112 PolarHBondContact OD1-N 3.22Å; D109-I113 WeakPolarHBondContact O-CD1 3.15Å; D109-I113 WeakPolarHBondContact O-CG1 3.37Å
110G97.6Very high97.3Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-94.9-12.2-178.500000113.6A92 M108 T114A92-G110 VanDerWaalsContact O-CA 3.23Å; A92-G110 WeakPolarHBondContact O-CA 3.33Å; A92-G110 PolarHBondContact O-N 3.45Å; M108-G110 PolarHBondContact O-N 3.08Å; G110-T114 WeakPolarHBondContact O-CB 3.36Å; G110-T114 PolarHBondContact O-N 2.68Å; G110-T114 PolarHBondContact O-OG1 2.91Å
111E96Very high97.5Very high62 Ų6227.7 Ų27.729%0.2915%0.148SC..Hα-helixtrans-71.2-48.2-178.7-66-169.1-145.500110.1Q91 D109 T114 A115Q91-E111 PolarHBondContact NE2-OE1 3.16Å; D109-E111 PolarHBondContact OD1-N 3.49Å; D109-E111 VanDerWaalsContact OD1-N 3.1Å; E111-T114 PolarHBondContact O-N 2.86Å; E111-A115 WeakPolarHBondContact O-CB 3.13Å; E111-A115 PolarHBondContact O-N 2.96Å
112V97.5Very high97.8Very high12 Ų1220 Ų207%0.07312%0.118CC..Hα-helixtrans-65.6-44176.3176.30000111Q10 V13 E14 D109 T114 A115 K116Q10-V112 HydrophobicContact CG-CG2 3.41Å; Q10-V112 VanDerWaalsContact CG-CG2 3.41Å; V13-V112 HydrophobicContact CB-CB 4.3Å; V13-V112 HydrophobicContact CB-CG1 4.24Å; V13-V112 HydrophobicContact CG1-CB 3.81Å; V13-V112 HydrophobicContact CG1-CG1 3.6Å; E14-V112 HydrophobicContact CB-CG1 4.48Å; E14-V112 HydrophobicContact CG-CB 4.3Å; E14-V112 HydrophobicContact CG-CG1 3.69Å; E14-V112 HydrophobicContact CG-CG2 3.58Å; D109-V112 WeakPolarHBondContact OD1-CB 3.4Å; D109-V112 WeakPolarHBondContact OD1-CG2 3.27Å; D109-V112 PolarHBondContact OD1-N 3.22Å; V112-T114 VanDerWaalsContact C-N 3.32Å; V112-T114 PolarHBondContact O-N 3.47Å; V112-A115 PolarHBondContact O-N 3.43Å; V112-K116 HydrophobicContact CG1-CD 3.88Å; V112-K116 WeakPolarHBondContact O-CB 3.18Å; V112-K116 PolarHBondContact O-N 2.77Å
113I98.5Very high98.1Very high0 Ų017.7 Ų17.70%09%0.094CC..Hα-helixtrans-56.2-50.7174-71.3175000109.3V13 L17 V94 M108 D109 A115 K116 R117 A301V13-I113 HydrophobicContact CG1-CG1 3.84Å; L17-I113 HydrophobicContact CD2-CB 4.5Å; L17-I113 HydrophobicContact CD2-CG1 4.04Å; V94-I113 HydrophobicContact CB-CD1 4.09Å; V94-I113 HydrophobicContact CG2-CB 4.48Å; V94-I113 HydrophobicContact CG2-CD1 3.94Å; V94-I113 HydrophobicContact CG2-CG2 4.33Å; M108-I113 HydrophobicContact CB-CD1 4.16Å; M108-I113 HydrophobicContact SD-CD1 4.23Å; D109-I113 WeakPolarHBondContact O-CD1 3.15Å; D109-I113 WeakPolarHBondContact O-CG1 3.37Å; I113-A115 PolarHBondContact O-N 3.22Å; I113-K116 PolarHBondContact O-N 3.01Å; I113-R117 HydrophobicContact CG2-CG 4.38Å; I113-R117 WeakPolarHBondContact O-CB 3.25Å; I113-R117 WeakPolarHBondContact O-CG 3.37Å; I113-R117 PolarHBondContact O-N 3.02Å; I113-A301 HydrophobicContact CD1-CB 4.36Å
114T97.7Very high98.2Very high15 Ų1515.6 Ų15.69%0.0928%0.083CC..Hα-helixtrans-61.3-44.5-179-68.90000111.9G110 E111 V112 T118G110-T114 WeakPolarHBondContact O-CB 3.36Å; G110-T114 PolarHBondContact O-N 2.68Å; G110-T114 PolarHBondContact O-OG1 2.91Å; E111-T114 PolarHBondContact O-N 2.86Å; V112-T114 VanDerWaalsContact C-N 3.32Å; V112-T114 PolarHBondContact O-N 3.47Å; T114-T118 VanDerWaalsContact O-CB 3.23Å; T114-T118 WeakPolarHBondContact O-CB 3.38Å; T114-T118 PolarHBondContact O-N 2.88Å; T114-T118 VanDerWaalsContact O-N 3.14Å; T114-T118 PolarHBondContact O-OG1 3.35Å
115A97.6Very high98.3Very high20 Ų2013.7 Ų13.717%0.1657%0.071CC..Hα-helixtrans-60.2-53.917800000111.1E111 V112 I113 A119 S148E111-A115 WeakPolarHBondContact O-CB 3.13Å; E111-A115 PolarHBondContact O-N 2.96Å; V112-A115 PolarHBondContact O-N 3.43Å; I113-A115 PolarHBondContact O-N 3.22Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.08Å; A115-A119 VanDerWaalsContact O-N 3.13Å; A115-S148 PolarHBondContact O-OG 2.89Å
116K98.6Very high98.3Very high37 Ų3711.2 Ų11.216%0.1616%0.061CC..Hα-helixtrans-67.5-46.5-175.6-72.2174.6174.2-84.70112.7L17 Y19 L22 V112 I113 T118 A119 A120L17-K116 HydrophobicContact CB-CD 3.8Å; L17-K116 HydrophobicContact CD2-CB 4.04Å; L17-K116 HydrophobicContact CD2-CD 3.83Å; L17-K116 HydrophobicContact CG-CB 4.39Å; L17-K116 HydrophobicContact CG-CD 3.74Å; L17-K116 VanDerWaalsContact O-CD 3.23Å; L17-K116 WeakPolarHBondContact O-CD 3.22Å; L17-K116 WeakPolarHBondContact O-CE 3.39Å; L17-K116 PolarHBondContact O-NZ 3.12Å; Y19-K116 HydrophobicContact CE1-CB 3.85Å; Y19-K116 HydrophobicContact CE1-CG 4.01Å; Y19-K116 WeakPolarHBondContact CE1-O 3.42Å; L22-K116 HydrophobicContact CD2-CB 4Å; V112-K116 HydrophobicContact CG1-CD 3.88Å; V112-K116 WeakPolarHBondContact O-CB 3.18Å; V112-K116 PolarHBondContact O-N 2.77Å; I113-K116 PolarHBondContact O-N 3.01Å; K116-T118 VanDerWaalsContact C-N 3.34Å; K116-T118 PolarHBondContact O-N 3.31Å; K116-A119 PolarHBondContact O-N 2.74Å; K116-A120 WeakPolarHBondContact O-CB 3.21Å; K116-A120 PolarHBondContact O-N 2.79Å
117R98.6Very high98.4Very high13 Ų1315.6 Ų15.65%0.0498%0.08CC..Hα-helixtrans-65.4-37.8-17971.392.6-172.714213.5112.2I113 V121 D297 S300I113-R117 HydrophobicContact CG2-CG 4.38Å; I113-R117 WeakPolarHBondContact O-CB 3.25Å; I113-R117 WeakPolarHBondContact O-CG 3.37Å; I113-R117 PolarHBondContact O-N 3.02Å; R117-V121 WeakPolarHBondContact O-CG2 3.36Å; R117-V121 PolarHBondContact O-N 3.32Å; R117-D297 IonicContact CZ-OD1 3.06Å; R117-D297 IonicContact NE-OD1 2.83Å; R117-D297 PolarHBondContact NE-OD1 2.79Å; R117-S300 WeakPolarHBondContact CB-OG 3.37Å
118T98.6Very high98.3Very high5 Ų515 Ų153%0.0318%0.075CC..Hα-helixtrans-66-50178.5-520000110.3T114 K116 A120 V121 S122 V224T114-T118 VanDerWaalsContact O-CB 3.23Å; T114-T118 WeakPolarHBondContact O-CB 3.38Å; T114-T118 PolarHBondContact O-N 2.88Å; T114-T118 VanDerWaalsContact O-N 3.14Å; T114-T118 PolarHBondContact O-OG1 3.35Å; K116-T118 VanDerWaalsContact C-N 3.34Å; K116-T118 PolarHBondContact O-N 3.31Å; T118-A120 VanDerWaalsContact C-N 3.34Å; T118-A120 PolarHBondContact O-N 3.07Å; T118-V121 PolarHBondContact O-N 2.91Å; T118-S122 PolarHBondContact O-N 2.59Å; T118-S122 VanDerWaalsContact O-N 3.1Å; T118-S122 PolarHBondContact O-OG 3.2Å; T118-V224 HydrophobicContact CG2-CG1 3.38Å
119A98.8Very high98.4Very high0 Ų014.9 Ų14.90%07%0.074CC..Hα-helixtrans-60.1-43.2177.700000112.3A115 K116 V121 S122 A123 S148 V152A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.08Å; A115-A119 VanDerWaalsContact O-N 3.13Å; K116-A119 PolarHBondContact O-N 2.74Å; A119-V121 PolarHBondContact O-N 3.14Å; A119-S122 PolarHBondContact O-N 3.47Å; A119-A123 PolarHBondContact O-N 3.38Å; A119-S148 VanDerWaalsContact CB-C 3.47Å; A119-S148 WeakPolarHBondContact CB-O 3.48Å; A119-V152 HydrophobicContact CB-CG1 3.69Å; A119-V152 WeakPolarHBondContact O-CG1 3.17Å
120A98.9Very high98.3Very high0 Ų015.2 Ų15.20%08%0.076CC..Hα-helixtrans-62.3-41.1178.400000112.4Y19 L22 I23 L26 K116 T118 A123 I124Y19-A120 HydrophobicContact CD1-CB 4.16Å; Y19-A120 HydrophobicContact CE1-CB 4.38Å; L22-A120 HydrophobicContact CD2-CB 4.16Å; L22-A120 HydrophobicContact CG-CB 4.4Å; I23-A120 HydrophobicContact CG1-CB 3.91Å; L26-A120 HydrophobicContact CD1-CB 3.46Å; L26-A120 VanDerWaalsContact CD1-CB 3.46Å; K116-A120 WeakPolarHBondContact O-CB 3.21Å; K116-A120 PolarHBondContact O-N 2.79Å; T118-A120 VanDerWaalsContact C-N 3.34Å; T118-A120 PolarHBondContact O-N 3.07Å; A120-A123 WeakPolarHBondContact O-CB 3.43Å; A120-A123 PolarHBondContact O-N 3.09Å; A120-I124 VanDerWaalsContact O-CG1 3.31Å; A120-I124 WeakPolarHBondContact O-CG1 3.5Å; A120-I124 PolarHBondContact O-N 2.77Å
121V98.9Very high98.3Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-66.1-39.4175.4174.90000111.7L26 L30 R117 T118 A119 A123 I124 S125 L270 F288 Q296L26-V121 HydrophobicContact CD1-CG2 4.05Å; L26-V121 HydrophobicContact CD2-CG2 4.26Å; L30-V121 HydrophobicContact CD1-CG1 4.17Å; L30-V121 HydrophobicContact CD1-CG2 4.26Å; R117-V121 WeakPolarHBondContact O-CG2 3.36Å; R117-V121 PolarHBondContact O-N 3.32Å; T118-V121 PolarHBondContact O-N 2.91Å; A119-V121 PolarHBondContact O-N 3.14Å; V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 3.32Å; V121-I124 WeakPolarHBondContact O-CB 3.41Å; V121-I124 PolarHBondContact O-N 2.68Å; V121-S125 PolarHBondContact O-N 2.96Å; V121-L270 HydrophobicContact CG1-CD2 4.11Å; V121-F288 HydrophobicContact CG1-CE1 3.86Å; V121-F288 HydrophobicContact CG1-CZ 3.57Å; V121-Q296 HydrophobicContact CG2-CG 4.1Å
122S98.9Very high98.1Very high0 Ų017.8 Ų17.80%011%0.105CC..Hα-helixtrans-63.8-35.2172.2-58.60000112.5T118 A119 S125 A126 H149 F153 V224T118-S122 PolarHBondContact O-N 2.59Å; T118-S122 VanDerWaalsContact O-N 3.1Å; T118-S122 PolarHBondContact O-OG 3.2Å; A119-S122 PolarHBondContact O-N 3.47Å; S122-S125 PolarHBondContact O-N 3.41Å; S122-S125 PolarHBondContact O-OG 3.31Å; S122-A126 PolarHBondContact O-N 3.16Å; S122-H149 VanDerWaalsContact CB-NE2 3.34Å; S122-H149 WeakPolarHBondContact CB-NE2 3.39Å; S122-H149 PolarHBondContact OG-NE2 3.03Å; S122-F153 WeakPolarHBondContact O-CZ 3.46Å; S122-V224 WeakPolarHBondContact OG-CG2 3.48Å
123A98.9Very high97.9Very high2 Ų225.5 Ų25.52%0.01714%0.138CC..Hα-helixtrans-68-38.1173.100000111.6A119 A120 V121 S125 A126 K127 V152 F153 F157A119-A123 PolarHBondContact O-N 3.38Å; A120-A123 WeakPolarHBondContact O-CB 3.43Å; A120-A123 PolarHBondContact O-N 3.09Å; V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 3.32Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-S125 PolarHBondContact O-N 2.95Å; A123-A126 PolarHBondContact O-N 3.37Å; A123-K127 WeakPolarHBondContact O-CB 3.43Å; A123-K127 PolarHBondContact O-N 3.07Å; A123-V152 HydrophobicContact CB-CG1 3.99Å; A123-V152 HydrophobicContact CB-CG2 3.91Å; A123-F153 HydrophobicContact CB-CD2 4.35Å; A123-F153 HydrophobicContact CB-CE2 4.13Å; A123-F157 HydrophobicContact CB-CE2 4.22Å; A123-F157 WeakPolarHBondContact O-CZ 3.34Å
124I98.9Very high97.8Very high1 Ų126.4 Ų26.41%0.00514%0.144CC..Hα-helixtrans-60.8-43.9172.4-67.3162.2000110.2I23 L26 E27 L30 A120 V121 A126 K127 L128 L270 L274I23-I124 HydrophobicContact CG2-CD1 4.2Å; I23-I124 HydrophobicContact CG2-CG1 3.9Å; L26-I124 HydrophobicContact CB-CD1 3.73Å; E27-I124 HydrophobicContact CG-CD1 3.64Å; E27-I124 HydrophobicContact CG-CG1 3.8Å; E27-I124 HydrophobicContact CG-CG2 4.01Å; L30-I124 HydrophobicContact CD1-CD1 4.22Å; L30-I124 HydrophobicContact CD1-CG2 4.44Å; A120-I124 VanDerWaalsContact O-CG1 3.31Å; A120-I124 WeakPolarHBondContact O-CG1 3.5Å; A120-I124 PolarHBondContact O-N 2.77Å; V121-I124 WeakPolarHBondContact O-CB 3.41Å; V121-I124 PolarHBondContact O-N 2.68Å; I124-A126 PolarHBondContact O-N 3.44Å; I124-K127 PolarHBondContact O-N 2.85Å; I124-L128 HydrophobicContact CG2-CD1 3.91Å; I124-L128 WeakPolarHBondContact O-CB 3.43Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.4Å; I124-L128 PolarHBondContact O-N 2.59Å; I124-L270 HydrophobicContact CG2-CD2 4.11Å; I124-L274 HydrophobicContact CG2-CD1 4.27Å; I124-L274 HydrophobicContact CG2-CD2 4.24Å
125S98.9Very high97.8Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-61.8-44.8176.579.10000111.8V121 S122 A123 L128 L129 H220 F288V121-S125 PolarHBondContact O-N 2.96Å; S122-S125 PolarHBondContact O-N 3.41Å; S122-S125 PolarHBondContact O-OG 3.31Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-S125 PolarHBondContact O-N 2.95Å; S125-L128 PolarHBondContact O-N 2.95Å; S125-L129 VanDerWaalsContact O-CB 3.22Å; S125-L129 WeakPolarHBondContact O-CB 3.18Å; S125-L129 WeakPolarHBondContact O-CG 3.36Å; S125-L129 PolarHBondContact O-N 2.9Å; S125-H220 PolarHBondContact OG-NE2 3.39Å; S125-F288 VanDerWaalsContact CB-CG 3.41Å; S125-F288 WeakPolarHBondContact OG-CD1 3.46Å
126A98.8Very high97.9Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-61.1-48176.200000111.7S122 A123 I124 L128 L129 M130 F153 F157 H220S122-A126 PolarHBondContact O-N 3.16Å; A123-A126 PolarHBondContact O-N 3.37Å; I124-A126 PolarHBondContact O-N 3.44Å; A126-L128 PolarHBondContact O-N 3.38Å; A126-L128 VanDerWaalsContact O-N 3.1Å; A126-L129 PolarHBondContact O-N 3.45Å; A126-M130 HydrophobicContact CB-SD 4.39Å; A126-M130 VanDerWaalsContact O-CB 3.22Å; A126-M130 WeakPolarHBondContact O-CB 3.39Å; A126-M130 WeakPolarHBondContact O-CG 3.48Å; A126-M130 PolarHBondContact O-N 2.98Å; A126-F153 HydrophobicContact CB-CE1 3.67Å; A126-F153 HydrophobicContact CB-CZ 4.01Å; A126-F157 HydrophobicContact CB-CE2 3.94Å; A126-F157 HydrophobicContact CB-CZ 3.99Å; A126-H220 PolarHBondContact N-NE2 3.11Å
127K98.4Very high97.9Very high93 Ų9327.7 Ų27.740%0.40415%0.148SC..Hα-helixtrans-53.3-35.4175.9177.8-177169.9-166.50112E27 A123 I124 F157 R282E27-K127 IonicContact OE1-NZ 2.59Å; E27-K127 PolarHBondContact OE1-NZ 3.44Å; E27-K127 IonicContact OE2-NZ 2.68Å; A123-K127 WeakPolarHBondContact O-CB 3.43Å; A123-K127 PolarHBondContact O-N 3.07Å; I124-K127 PolarHBondContact O-N 2.85Å; K127-F157 HydrophobicContact CB-CE1 4.05Å; K127-F157 HydrophobicContact CB-CZ 3.94Å; K127-R282 PolarHBondContact O-NH2 2.86Å
128L98.6Very high97.9Very high25 Ų2527.1 Ų27.113%0.13115%0.145CC..Hα-helixtrans-87.1-32.6-178.3-69.5172.3000113.9I124 S125 A126 L270 V273 L274 A280 R282I124-L128 HydrophobicContact CG2-CD1 3.91Å; I124-L128 WeakPolarHBondContact O-CB 3.43Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.4Å; I124-L128 PolarHBondContact O-N 2.59Å; S125-L128 PolarHBondContact O-N 2.95Å; A126-L128 PolarHBondContact O-N 3.38Å; A126-L128 VanDerWaalsContact O-N 3.1Å; L128-L270 HydrophobicContact CD1-CD1 3.74Å; L128-L270 HydrophobicContact CD1-CG 4.25Å; L128-V273 HydrophobicContact CB-CG1 4.4Å; L128-V273 HydrophobicContact CD1-CG1 4.26Å; L128-V273 HydrophobicContact CD2-CG1 4.43Å; L128-L274 HydrophobicContact CD1-CD2 3.75Å; L128-L274 HydrophobicContact CD1-CG 3.76Å; L128-L274 HydrophobicContact CD2-CD2 4.44Å; L128-A280 VanDerWaalsContact O-CB 3.28Å; L128-A280 WeakPolarHBondContact O-CB 3.44Å; L128-R282 WeakPolarHBondContact O-CG 3.49Å; L128-R282 VanDerWaalsContact O-CZ 3.3Å; L128-R282 PolarHBondContact O-NE 2.83Å; L128-R282 PolarHBondContact O-NH2 2.92Å; L128-R282 VanDerWaalsContact O-NH2 3.1Å
129L98.8Very high97.9Very high0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-123.8-12.7-161.5-59.2172.9000114.5S125 A126 Y245 L270 A280 T286 F288S125-L129 VanDerWaalsContact O-CB 3.22Å; S125-L129 WeakPolarHBondContact O-CB 3.18Å; S125-L129 WeakPolarHBondContact O-CG 3.36Å; S125-L129 PolarHBondContact O-N 2.9Å; A126-L129 PolarHBondContact O-N 3.45Å; L129-Y245 HydrophobicContact CD1-CD1 4.13Å; L129-Y245 HydrophobicContact CD1-CD2 3.69Å; L129-Y245 HydrophobicContact CD1-CE2 4.2Å; L129-Y245 HydrophobicContact CD1-CG 3.67Å; L129-Y245 HydrophobicContact CD2-CD1 4.12Å; L129-Y245 HydrophobicContact CD2-CD2 4.14Å; L129-Y245 HydrophobicContact CD2-CE1 3.77Å; L129-Y245 HydrophobicContact CD2-CE2 3.81Å; L129-Y245 HydrophobicContact CD2-CG 4.31Å; L129-L270 HydrophobicContact CD1-CD1 4.27Å; L129-A280 HydrophobicContact CD2-CB 4Å; L129-T286 HydrophobicContact CB-CG2 4.5Å; L129-F288 HydrophobicContact CD1-CB 4.47Å
130M97.9Very high97.9Very high35 Ų3526.9 Ų26.917%0.17214%0.144CC..SBendtrans-70.5153.2179.579-171.8-179.800112.7A126 F157 V198 H220A126-M130 HydrophobicContact CB-SD 4.39Å; A126-M130 VanDerWaalsContact O-CB 3.22Å; A126-M130 WeakPolarHBondContact O-CB 3.39Å; A126-M130 WeakPolarHBondContact O-CG 3.48Å; A126-M130 PolarHBondContact O-N 2.98Å; M130-F157 HydrophobicContact CE-CD1 3.63Å; M130-F157 HydrophobicContact CE-CE1 3.76Å; M130-F157 HydrophobicContact CE-CG 4.41Å; M130-F157 HydrophobicContact SD-CD1 4.24Å; M130-F157 HydrophobicContact SD-CE1 4.22Å; M130-V198 HydrophobicContact CB-CG2 3.84Å; M130-V198 HydrophobicContact SD-CG2 4.24Å; M130-H220 HydrophobicContact CB-CB 4.11Å
131P96.7Very high97.9Very high22 Ų2227 Ų2714%0.14315%0.146CC..  trans-51.9145.6170.8-28.935.9000112.8K133 S134 G218P131-K133 PolarHBondContact O-N 2.85Å; P131-K133 VanDerWaalsContact O-N 3.12Å; P131-S134 WeakPolarHBondContact CD-OG 3.3Å; P131-S134 PolarHBondContact O-N 2.84Å; P131-S134 PolarHBondContact O-OG 3.2Å; P131-G218 WeakPolarHBondContact CG-O 3.16Å
132A91.6Very high97.7Very high93 Ų9327.8 Ų27.877%0.76915%0.152SC*.SBendtrans-57.8-31-179.100000113.6
133K92.4Very high97.5Very high175 Ų17529.8 Ų29.876%0.76117%0.172SC*.SBendtrans-114.583.9173.5-64.5-177.2-178.4-179.90108.9P131P131-K133 PolarHBondContact O-N 2.85Å; P131-K133 VanDerWaalsContact O-N 3.12Å
134S97.7Very high97.2Very high18 Ų1837 Ų3713%0.12621%0.205CC..  trans-102.1116.7175.7-65.20000109.5P131P131-S134 WeakPolarHBondContact CD-OG 3.3Å; P131-S134 PolarHBondContact O-N 2.84Å; P131-S134 PolarHBondContact O-OG 3.2Å
135E98.1Very high97Very high82 Ų8239.1 Ų39.138%0.38322%0.215SC..  trans-119-23.8-174.7-59-170.5161.700112.6F159 K160 E161 D197E135-F159 CarbonylContact O-C 3.51Å; E135-F159 WeakPolarHBondContact O-CA 3.46Å; E135-K160 HydrophobicContact CB-CB 4.36Å; E135-K160 HydrophobicContact CB-CD 4.19Å; E135-K160 HydrophobicContact CB-CG 4.18Å; E135-K160 HydrophobicContact CG-CD 4.26Å; E135-K160 HydrophobicContact CG-CG 4.48Å; E135-K160 PolarHBondContact O-N 2.79Å; E135-K160 VanDerWaalsContact OE1-CE 3.22Å; E135-K160 WeakPolarHBondContact OE1-CE 3.33Å; E135-K160 IonicContact OE1-NZ 2.74Å; E135-K160 PolarHBondContact OE1-NZ 3.45Å; E135-K160 WeakPolarHBondContact OE2-CD 3.49Å; E135-K160 WeakPolarHBondContact OE2-CE 3.34Å; E135-K160 IonicContact OE2-NZ 3.56Å; E135-K160 PolarHBondContact OE2-NZ 2.9Å; E135-E161 PolarHBondContact O-N 2.95Å; E135-D197 PolarHBondContact N-OD2 3.05Å
136V98.8Very high97Very high18 Ų1839.1 Ų39.111%0.10922%0.215CC..EExtended strand (participates in β ladder)trans-119.2120.9-176.5-177.90000111.1E161 R163 A196 D197 V198V136-E161 HydrophobicContact CG2-CB 4.34Å; V136-R163 HydrophobicContact CG1-CG 4.48Å; V136-R163 VanDerWaalsContact CG1-CZ 3.44Å; V136-A196 HydrophobicContact CG1-CB 4.17Å; V136-D197 PolarHBondContact N-OD2 2.89Å; V136-D197 PolarHBondContact O-N 2.78Å; V136-V198 PolarHBondContact O-N 3.46Å; V136-V198 VanDerWaalsContact O-N 3.12Å
137L98.9Very high96.9Very high0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-103.8129.4170.9171.664000110.1I139 F153 F159 E161 V162 R163 V198 V200L137-I139 HydrophobicContact CD1-CG1 4.5Å; L137-I139 HydrophobicContact CD2-CD1 4.4Å; L137-I139 HydrophobicContact CD2-CG1 4.45Å; L137-I139 HydrophobicContact CG-CG1 4.28Å; L137-F153 HydrophobicContact CD1-CD1 3.97Å; L137-F153 HydrophobicContact CD1-CE1 4.35Å; L137-F153 HydrophobicContact CD2-CB 3.84Å; L137-F153 HydrophobicContact CD2-CD1 4.19Å; L137-F153 HydrophobicContact CD2-CG 4.28Å; L137-F159 HydrophobicContact CB-CB 4.39Å; L137-F159 HydrophobicContact CB-CD1 3.81Å; L137-F159 HydrophobicContact CB-CD2 3.8Å; L137-F159 HydrophobicContact CB-CE1 3.97Å; L137-F159 HydrophobicContact CB-CE2 3.96Å; L137-F159 HydrophobicContact CB-CG 3.72Å; L137-F159 HydrophobicContact CB-CZ 4.05Å; L137-F159 HydrophobicContact CD2-CD2 4Å; L137-F159 HydrophobicContact CD2-CE2 3.91Å; L137-F159 HydrophobicContact CG-CD2 4.5Å; L137-F159 HydrophobicContact CG-CE2 4.38Å; L137-E161 PolarHBondContact N-O 2.89Å; L137-V162 HydrophobicContact CB-CG2 4.46Å; L137-V162 HydrophobicContact CD2-CG1 4.14Å; L137-V162 HydrophobicContact CD2-CG2 4.44Å; L137-V162 HydrophobicContact CG-CG1 4.37Å; L137-V162 CarbonylContact O-C 3.59Å; L137-V162 WeakPolarHBondContact O-CA 3.24Å; L137-R163 PolarHBondContact O-N 2.93Å; L137-V198 CarbonylContact C-O 3.56Å; L137-V198 WeakPolarHBondContact CA-O 3.49Å; L137-V198 HydrophobicContact CD1-CB 4.08Å; L137-V198 HydrophobicContact CD1-CG1 3.88Å; L137-V200 HydrophobicContact CD1-CG2 4.08Å
138T98.9Very high96.9Very high0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-118.1128.4171.6-61.10000111.3L140 R163 A192 V193 A196 V198 I199 V200T138-L140 HydrophobicContact CG2-CD2 3.84Å; T138-R163 HydrophobicContact CG2-CB 4.18Å; T138-A192 HydrophobicContact CG2-CB 3.81Å; T138-A192 WeakPolarHBondContact CG2-O 3.19Å; T138-A192 PolarHBondContact OG1-O 3.45Å; T138-V193 HydrophobicContact CG2-CG1 3.95Å; T138-A196 WeakPolarHBondContact OG1-CB 3.44Å; T138-V198 PolarHBondContact N-O 3.27Å; T138-I199 CarbonylContact O-C 3.36Å; T138-I199 VanDerWaalsContact O-CA 3.29Å; T138-I199 WeakPolarHBondContact O-CA 3.29Å; T138-V200 PolarHBondContact O-N 3.39Å
139I98.9Very high96.9Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-109.2118.4175.5-54.2177.3000109.2L137 A146 Y150 R163 V164 W165 F175 V200 V202L137-I139 HydrophobicContact CD1-CG1 4.5Å; L137-I139 HydrophobicContact CD2-CD1 4.4Å; L137-I139 HydrophobicContact CD2-CG1 4.45Å; L137-I139 HydrophobicContact CG-CG1 4.28Å; I139-A146 HydrophobicContact CG2-CB 3.82Å; I139-Y150 HydrophobicContact CD1-CD2 4.47Å; I139-R163 PolarHBondContact N-O 3.13Å; I139-V164 WeakPolarHBondContact O-CA 3.41Å; I139-W165 PolarHBondContact O-N 2.98Å; I139-F175 HydrophobicContact CD1-CZ 4.23Å; I139-V200 HydrophobicContact CG1-CB 4.39Å; I139-V200 HydrophobicContact CG2-CB 4.5Å; I139-V202 HydrophobicContact CG2-CG2 3.89Å
140L98.8Very high96.9Very high0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-95.8108.5172.4-53.6-173000108.9T138 W165 V189 A192 V193 I199 V200 T201 V202 T203 L210T138-L140 HydrophobicContact CG2-CD2 3.84Å; L140-W165 HydrophobicContact CB-CE3 4.38Å; L140-W165 HydrophobicContact CD2-CB 3.9Å; L140-W165 HydrophobicContact CD2-CE3 4.32Å; L140-V189 HydrophobicContact CD1-CG1 3.58Å; L140-V189 HydrophobicContact CD2-CG1 4Å; L140-V189 HydrophobicContact CG-CG1 4.47Å; L140-A192 HydrophobicContact CD2-CB 4.4Å; L140-V193 HydrophobicContact CD1-CG1 4.1Å; L140-V193 HydrophobicContact CD2-CG1 4.02Å; L140-V193 HydrophobicContact CG-CG1 4.38Å; L140-I199 HydrophobicContact CD1-CG2 4.33Å; L140-I199 HydrophobicContact CG-CG2 4.3Å; L140-V200 PolarHBondContact N-O 3.18Å; L140-T201 HydrophobicContact CB-CG2 4.43Å; L140-T201 HydrophobicContact CD1-CG2 4.05Å; L140-V202 WeakPolarHBondContact O-CG2 3.4Å; L140-V202 PolarHBondContact O-N 2.95Å; L140-T203 HydrophobicContact CB-CG2 4.25Å; L140-T203 WeakPolarHBondContact O-CG2 3.32Å; L140-L210 HydrophobicContact CD1-CB 4.11Å; L140-L210 HydrophobicContact CD1-CD1 4.23Å
141G97.4Very high96.9Very high4 Ų438.8 Ų38.84%0.04122%0.219CC..  trans115.8155.7-169.900000111.6A146 W165G141-A146 WeakPolarHBondContact O-CB 3.34Å; G141-W165 PolarHBondContact N-O 3.12Å
142A96.4Very high97Very high15 Ų1537.8 Ų37.812%0.12421%0.212CC..  trans-142.935.3-175.700000111.7V164 T171 F175A142-V164 HydrophobicContact CB-CG2 4.44Å; A142-T171 HydrophobicContact CB-CG2 3.88Å; A142-F175 HydrophobicContact CB-CB 3.82Å; A142-F175 HydrophobicContact CB-CG 4.16Å
143G93.1Very high97.4Very high42 Ų4233.3 Ų33.343%0.43318%0.175SC..SBendtrans-99.9-166.5177.500000113.3Q145 A146 L147G143-Q145 VanDerWaalsContact C-N 3.28Å; G143-Q145 PolarHBondContact O-N 3.46Å; G143-A146 VanDerWaalsContact O-CB 3.32Å; G143-A146 WeakPolarHBondContact O-CB 3.29Å; G143-A146 PolarHBondContact O-N 3.26Å; G143-L147 PolarHBondContact O-N 2.87Å
144H92.4Very high97.6Very high154 Ų15427.6 Ų27.671%0.71316%0.155SC*.Hα-helixtrans-54.9-39.7179-64.4100.8000113.6L147 S148H144-L147 PolarHBondContact O-N 3.1Å; H144-S148 PolarHBondContact O-N 3.27Å; H144-S148 VanDerWaalsContact O-N 3.1Å; H144-S148 PolarHBondContact O-OG 3.23Å
145Q96.2Very high97.6Very high45 Ų4532.5 Ų32.521%0.2118%0.176CC..Hα-helixtrans-65.8-39.8175.7-72.4-64.2-22.500111.8G143 L147 S148 H149 V202G143-Q145 VanDerWaalsContact C-N 3.28Å; G143-Q145 PolarHBondContact O-N 3.46Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.07Å; Q145-S148 WeakPolarHBondContact CA-OG 3.49Å; Q145-S148 PolarHBondContact O-N 3.3Å; Q145-S148 PolarHBondContact O-OG 2.88Å; Q145-H149 WeakPolarHBondContact O-CB 3.2Å; Q145-H149 PolarHBondContact O-N 3.47Å; Q145-H149 PolarHBondContact O-ND1 2.79Å; Q145-H149 PolarHBondContact OE1-CE1 2.83Å; Q145-H149 VanDerWaalsContact OE1-CE1 3.27Å; Q145-V202 HydrophobicContact CB-CB 3.85Å; Q145-V202 HydrophobicContact CB-CG1 3.74Å
146A98Very high97.6Very high0 Ų031.3 Ų31.30%017%0.174CC..Hα-helixtrans-58.6-40.9175.200000111.8I139 G141 G143 Y150 F175 V202I139-A146 HydrophobicContact CG2-CB 3.82Å; G141-A146 WeakPolarHBondContact O-CB 3.34Å; G143-A146 VanDerWaalsContact O-CB 3.32Å; G143-A146 WeakPolarHBondContact O-CB 3.29Å; G143-A146 PolarHBondContact O-N 3.26Å; A146-Y150 WeakPolarHBondContact O-CB 3.44Å; A146-Y150 PolarHBondContact O-N 2.85Å; A146-F175 HydrophobicContact CB-CD2 4.18Å; A146-F175 HydrophobicContact CB-CE2 3.66Å; A146-F175 HydrophobicContact CB-CZ 4.15Å; A146-V202 HydrophobicContact CB-CG2 3.85Å
147L97.7Very high97.5Very high61 Ų6131.8 Ų31.832%0.31918%0.175SC..Hα-helixtrans-69.2-46.6-179.3-17762000112G143 H144 Q145 H149 Y150 N151 F175 T179G143-L147 PolarHBondContact O-N 2.87Å; H144-L147 PolarHBondContact O-N 3.1Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.07Å; L147-H149 VanDerWaalsContact C-N 3.32Å; L147-H149 PolarHBondContact O-N 2.88Å; L147-Y150 PolarHBondContact O-N 2.97Å; L147-N151 WeakPolarHBondContact O-CB 3.46Å; L147-N151 PolarHBondContact O-N 2.97Å; L147-N151 PolarHBondContact O-ND2 3.26Å; L147-N151 PolarHBondContact O-OD1 2.96Å; L147-F175 HydrophobicContact CB-CE2 4.21Å; L147-F175 HydrophobicContact CD1-CE2 4.49Å; L147-T179 HydrophobicContact CD1-CG2 4.32Å
148S98.1Very high97.4Very high9 Ų937.4 Ų37.46%0.06322%0.215CC..Hα-helixtrans-62-39.5176.253.70000112.6Y19 A115 A119 H144 Q145 N151 V152Y19-S148 PolarHBondContact OH-O 3.21Å; A115-S148 PolarHBondContact O-OG 2.89Å; A119-S148 VanDerWaalsContact CB-C 3.47Å; A119-S148 WeakPolarHBondContact CB-O 3.48Å; H144-S148 PolarHBondContact O-N 3.27Å; H144-S148 VanDerWaalsContact O-N 3.1Å; H144-S148 PolarHBondContact O-OG 3.23Å; Q145-S148 WeakPolarHBondContact CA-OG 3.49Å; Q145-S148 PolarHBondContact O-N 3.3Å; Q145-S148 PolarHBondContact O-OG 2.88Å; S148-N151 PolarHBondContact O-N 3.16Å; S148-V152 PolarHBondContact O-N 3.38Å; S148-V152 VanDerWaalsContact O-N 3.08Å
149H98.8Very high97.4Very high0 Ų039 Ų390%022%0.221CC..Hα-helixtrans-65.5-47.4174.5-75.868.1000111.4S122 Q145 L147 N151 V152 F153 V200S122-H149 VanDerWaalsContact CB-NE2 3.34Å; S122-H149 WeakPolarHBondContact CB-NE2 3.39Å; S122-H149 PolarHBondContact OG-NE2 3.03Å; Q145-H149 WeakPolarHBondContact O-CB 3.2Å; Q145-H149 PolarHBondContact O-N 3.47Å; Q145-H149 PolarHBondContact O-ND1 2.79Å; Q145-H149 PolarHBondContact OE1-CE1 2.83Å; Q145-H149 VanDerWaalsContact OE1-CE1 3.27Å; L147-H149 VanDerWaalsContact C-N 3.32Å; L147-H149 PolarHBondContact O-N 2.88Å; H149-N151 VanDerWaalsContact C-N 3.3Å; H149-N151 PolarHBondContact O-N 3.14Å; H149-V152 PolarHBondContact O-N 2.89Å; H149-F153 HydrophobicContact CB-CD2 4.38Å; H149-F153 AromaticContact CD2-CE2 3.95Å; H149-F153 VanDerWaalsContact O-CB 3.25Å; H149-F153 WeakPolarHBondContact O-CB 3.48Å; H149-F153 WeakPolarHBondContact O-CD2 3.4Å; H149-F153 PolarHBondContact O-N 3.39Å; H149-V200 HydrophobicContact CB-CG1 4.18Å; H149-V200 VanDerWaalsContact CD2-CG1 3.49Å; H149-V200 WeakPolarHBondContact CD2-CG1 3.49Å
150Y98.8Very high97.3Very high10 Ų1046.3 Ų46.34%0.03925%0.253CS..Hα-helixtrans-53.3-49.3173.8173.7-89.8000111.7I139 A146 L147 V152 F153 T154 V162 F175 T179 G181 V183I139-Y150 HydrophobicContact CD1-CD2 4.47Å; A146-Y150 WeakPolarHBondContact O-CB 3.44Å; A146-Y150 PolarHBondContact O-N 2.85Å; L147-Y150 PolarHBondContact O-N 2.97Å; Y150-V152 PolarHBondContact O-N 3.45Å; Y150-F153 PolarHBondContact O-N 3.08Å; Y150-T154 HydrophobicContact CD2-CG2 4.05Å; Y150-T154 HydrophobicContact CE1-CG2 4.34Å; Y150-T154 HydrophobicContact CE2-CG2 3.71Å; Y150-T154 WeakPolarHBondContact O-CB 3.13Å; Y150-T154 WeakPolarHBondContact O-CG2 3.45Å; Y150-T154 PolarHBondContact O-N 3.5Å; Y150-T154 PolarHBondContact O-OG1 2.74Å; Y150-V162 HydrophobicContact CD2-CG1 3.98Å; Y150-V162 HydrophobicContact CE2-CG1 4.02Å; Y150-F175 HydrophobicContact CG-CZ 4.32Å; Y150-T179 HydrophobicContact CD1-CG2 3.47Å; Y150-T179 VanDerWaalsContact CD1-CG2 3.47Å; Y150-T179 HydrophobicContact CD2-CG2 3.99Å; Y150-T179 VanDerWaalsContact CE1-CB 3.46Å; Y150-T179 HydrophobicContact CE1-CG2 3.52Å; Y150-T179 HydrophobicContact CE2-CG2 4.02Å; Y150-T179 HydrophobicContact CG-CG2 3.72Å; Y150-G181 VanDerWaalsContact OH-CA 3.24Å; Y150-G181 WeakPolarHBondContact OH-CA 3.49Å; Y150-G181 PolarHBondContact OH-N 3.17Å; Y150-V183 HydrophobicContact CD2-CG2 4.11Å; Y150-V183 HydrophobicContact CE2-CG2 3.5Å
151N98.3Very high97.3Very high67 Ų6748.8 Ų48.836%0.35827%0.265SS..Hα-helixtrans-59.8-51-177.8-69-16.5000111.7Y19 L147 S148 H149 T154 E155Y19-N151 HydrophobicContact CE2-CB 4.2Å; L147-N151 WeakPolarHBondContact O-CB 3.46Å; L147-N151 PolarHBondContact O-N 2.97Å; L147-N151 PolarHBondContact O-ND2 3.26Å; L147-N151 PolarHBondContact O-OD1 2.96Å; S148-N151 PolarHBondContact O-N 3.16Å; H149-N151 VanDerWaalsContact C-N 3.3Å; H149-N151 PolarHBondContact O-N 3.14Å; N151-T154 PolarHBondContact O-OG1 3.34Å; N151-E155 VanDerWaalsContact O-CB 3.24Å; N151-E155 WeakPolarHBondContact O-CB 3.34Å; N151-E155 PolarHBondContact O-N 3.44Å
152V98.6Very high97.4Very high0 Ų049.2 Ų49.20%027%0.267CS..Hα-helixtrans-72.1-36.1-177.971.80000112.4Y19 I23 A119 A123 S148 H149 Y150 E155 T156Y19-V152 HydrophobicContact CD1-CB 4.07Å; Y19-V152 HydrophobicContact CD1-CG2 3.68Å; Y19-V152 HydrophobicContact CD2-CB 3.83Å; Y19-V152 HydrophobicContact CD2-CG2 3.87Å; Y19-V152 HydrophobicContact CE1-CB 3.88Å; Y19-V152 HydrophobicContact CE1-CG2 3.99Å; Y19-V152 HydrophobicContact CE2-CB 3.61Å; Y19-V152 HydrophobicContact CE2-CG2 4.15Å; Y19-V152 HydrophobicContact CG-CB 4.05Å; Y19-V152 HydrophobicContact CG-CG2 3.63Å; I23-V152 HydrophobicContact CD1-CG2 3.96Å; A119-V152 HydrophobicContact CB-CG1 3.69Å; A119-V152 WeakPolarHBondContact O-CG1 3.17Å; A123-V152 HydrophobicContact CB-CG1 3.99Å; A123-V152 HydrophobicContact CB-CG2 3.91Å; S148-V152 PolarHBondContact O-N 3.38Å; S148-V152 VanDerWaalsContact O-N 3.08Å; H149-V152 PolarHBondContact O-N 2.89Å; Y150-V152 PolarHBondContact O-N 3.45Å; V152-E155 PolarHBondContact O-N 3.44Å; V152-T156 WeakPolarHBondContact O-CB 3.45Å; V152-T156 PolarHBondContact O-N 2.94Å; V152-T156 PolarHBondContact O-OG1 3.34Å
153F98.6Very high97.5Very high0 Ų049.7 Ų49.70%027%0.265CS..Hα-helixtrans-68.8-39.4-179.6-85.3-113.1000111.3S122 A123 A126 L137 H149 Y150 T156 F157 F159 V198 V200S122-F153 WeakPolarHBondContact O-CZ 3.46Å; A123-F153 HydrophobicContact CB-CD2 4.35Å; A123-F153 HydrophobicContact CB-CE2 4.13Å; A126-F153 HydrophobicContact CB-CE1 3.67Å; A126-F153 HydrophobicContact CB-CZ 4.01Å; L137-F153 HydrophobicContact CD1-CD1 3.97Å; L137-F153 HydrophobicContact CD1-CE1 4.35Å; L137-F153 HydrophobicContact CD2-CB 3.84Å; L137-F153 HydrophobicContact CD2-CD1 4.19Å; L137-F153 HydrophobicContact CD2-CG 4.28Å; H149-F153 HydrophobicContact CB-CD2 4.38Å; H149-F153 AromaticContact CD2-CE2 3.95Å; H149-F153 VanDerWaalsContact O-CB 3.25Å; H149-F153 WeakPolarHBondContact O-CB 3.48Å; H149-F153 WeakPolarHBondContact O-CD2 3.4Å; H149-F153 PolarHBondContact O-N 3.39Å; Y150-F153 PolarHBondContact O-N 3.08Å; F153-T156 PolarHBondContact O-N 2.7Å; F153-F157 HydrophobicContact CB-CD2 4.34Å; F153-F157 AromaticContact CD1-CD2 3.98Å; F153-F157 HydrophobicContact CD1-CD2 3.98Å; F153-F157 HydrophobicContact CD1-CE2 4.05Å; F153-F157 HydrophobicContact CE1-CE2 4.32Å; F153-F157 HydrophobicContact CG-CD2 4.3Å; F153-F157 HydrophobicContact CG-CE2 4.4Å; F153-F157 WeakPolarHBondContact O-CA 3.42Å; F153-F157 WeakPolarHBondContact O-CB 3.41Å; F153-F157 WeakPolarHBondContact O-CD2 3.33Å; F153-F157 PolarHBondContact O-N 2.85Å; F153-F159 HydrophobicContact CB-CE2 4.25Å; F153-F159 HydrophobicContact CD1-CE2 4.09Å; F153-F159 HydrophobicContact CD1-CZ 4.25Å; F153-V198 HydrophobicContact CD1-CG1 4.43Å; F153-V198 HydrophobicContact CE1-CG1 3.8Å; F153-V200 HydrophobicContact CE1-CG2 4.14Å; F153-V200 HydrophobicContact CE2-CG2 4.34Å; F153-V200 HydrophobicContact CZ-CG2 3.93Å
154T97.8Very high97.8Very high55 Ų5547.7 Ų47.734%0.33725%0.245SC..Hα-helixtrans-78.5-23.117756.60000113.4Y150 N151 V162Y150-T154 HydrophobicContact CD2-CG2 4.05Å; Y150-T154 HydrophobicContact CE1-CG2 4.34Å; Y150-T154 HydrophobicContact CE2-CG2 3.71Å; Y150-T154 WeakPolarHBondContact O-CB 3.13Å; Y150-T154 WeakPolarHBondContact O-CG2 3.45Å; Y150-T154 PolarHBondContact O-N 3.5Å; Y150-T154 PolarHBondContact O-OG1 2.74Å; N151-T154 PolarHBondContact O-OG1 3.34Å; T154-V162 HydrophobicContact CG2-CG2 4.31Å
155E97.3Very high98.1Very high120 Ų12042.1 Ų42.156%0.56122%0.217SC*.Hα-helixtrans-74.2-34168.5-174.4178.7149.500112Y19 N151 V152Y19-E155 WeakPolarHBondContact CD2-OE2 3.32Å; N151-E155 VanDerWaalsContact O-CB 3.24Å; N151-E155 WeakPolarHBondContact O-CB 3.34Å; N151-E155 PolarHBondContact O-N 3.44Å; V152-E155 PolarHBondContact O-N 3.44Å
156T97.7Very high98.1Very high58 Ų5841 Ų4136%0.35621%0.214SC..Hα-helixtrans-94.8-32-172.2-51.50000113.4V152 F153V152-T156 WeakPolarHBondContact O-CB 3.45Å; V152-T156 PolarHBondContact O-N 2.94Å; V152-T156 PolarHBondContact O-OG1 3.34Å; F153-T156 PolarHBondContact O-N 2.7Å
157F97.8Very high97.8Very high27 Ų2750.4 Ų50.412%0.11825%0.25CC..  trans-130156.1-172.1-48.3-67.2000111.9A123 A126 K127 M130 F153 F159A123-F157 HydrophobicContact CB-CE2 4.22Å; A123-F157 WeakPolarHBondContact O-CZ 3.34Å; A126-F157 HydrophobicContact CB-CE2 3.94Å; A126-F157 HydrophobicContact CB-CZ 3.99Å; K127-F157 HydrophobicContact CB-CE1 4.05Å; K127-F157 HydrophobicContact CB-CZ 3.94Å; M130-F157 HydrophobicContact CE-CD1 3.63Å; M130-F157 HydrophobicContact CE-CE1 3.76Å; M130-F157 HydrophobicContact CE-CG 4.41Å; M130-F157 HydrophobicContact SD-CD1 4.24Å; M130-F157 HydrophobicContact SD-CE1 4.22Å; F153-F157 HydrophobicContact CB-CD2 4.34Å; F153-F157 AromaticContact CD1-CD2 3.98Å; F153-F157 HydrophobicContact CD1-CD2 3.98Å; F153-F157 HydrophobicContact CD1-CE2 4.05Å; F153-F157 HydrophobicContact CE1-CE2 4.32Å; F153-F157 HydrophobicContact CG-CD2 4.3Å; F153-F157 HydrophobicContact CG-CE2 4.4Å; F153-F157 WeakPolarHBondContact O-CA 3.42Å; F153-F157 WeakPolarHBondContact O-CB 3.41Å; F153-F157 WeakPolarHBondContact O-CD2 3.33Å; F153-F157 PolarHBondContact O-N 2.85Å; F157-F159 HydrophobicContact CB-CD2 4.14Å; F157-F159 HydrophobicContact CB-CE2 3.58Å; F157-F159 HydrophobicContact CB-CZ 3.99Å; F157-F159 HydrophobicContact CD2-CE2 4.01Å; F157-F159 HydrophobicContact CD2-CZ 4.24Å; F157-F159 HydrophobicContact CG-CE2 4.19Å; F157-F159 HydrophobicContact CG-CZ 4.35Å
158S96.3Very high97.5Very high119 Ų11952.8 Ų52.883%0.83226%0.255SS*.  trans-107.392.2177.3-56.50000110.8
159F98.1Very high97.3Very high32 Ų3256.9 Ų56.914%0.1427%0.271CS..  trans-87.1141.8171.4-62.4-75.1000110.5E135 L137 F153 F157 V162 V198E135-F159 CarbonylContact O-C 3.51Å; E135-F159 WeakPolarHBondContact O-CA 3.46Å; L137-F159 HydrophobicContact CB-CB 4.39Å; L137-F159 HydrophobicContact CB-CD1 3.81Å; L137-F159 HydrophobicContact CB-CD2 3.8Å; L137-F159 HydrophobicContact CB-CE1 3.97Å; L137-F159 HydrophobicContact CB-CE2 3.96Å; L137-F159 HydrophobicContact CB-CG 3.72Å; L137-F159 HydrophobicContact CB-CZ 4.05Å; L137-F159 HydrophobicContact CD2-CD2 4Å; L137-F159 HydrophobicContact CD2-CE2 3.91Å; L137-F159 HydrophobicContact CG-CD2 4.5Å; L137-F159 HydrophobicContact CG-CE2 4.38Å; F153-F159 HydrophobicContact CB-CE2 4.25Å; F153-F159 HydrophobicContact CD1-CE2 4.09Å; F153-F159 HydrophobicContact CD1-CZ 4.25Å; F157-F159 HydrophobicContact CB-CD2 4.14Å; F157-F159 HydrophobicContact CB-CE2 3.58Å; F157-F159 HydrophobicContact CB-CZ 3.99Å; F157-F159 HydrophobicContact CD2-CE2 4.01Å; F157-F159 HydrophobicContact CD2-CZ 4.24Å; F157-F159 HydrophobicContact CG-CE2 4.19Å; F157-F159 HydrophobicContact CG-CZ 4.35Å; F159-V162 HydrophobicContact CB-CG2 4.27Å; F159-V198 HydrophobicContact CE1-CB 4.18Å; F159-V198 HydrophobicContact CE1-CG2 3.89Å; F159-V198 HydrophobicContact CZ-CB 4.26Å; F159-V198 HydrophobicContact CZ-CG2 4.09Å
160K98.2Very high97.1Very high154 Ų15462.5 Ų62.567%0.6730%0.297SS*.SBendtrans-76.8-29.3171.3-65.6-173.4-173.2163.40111.9E135E135-K160 HydrophobicContact CB-CB 4.36Å; E135-K160 HydrophobicContact CB-CD 4.19Å; E135-K160 HydrophobicContact CB-CG 4.18Å; E135-K160 HydrophobicContact CG-CD 4.26Å; E135-K160 HydrophobicContact CG-CG 4.48Å; E135-K160 PolarHBondContact O-N 2.79Å; E135-K160 VanDerWaalsContact OE1-CE 3.22Å; E135-K160 WeakPolarHBondContact OE1-CE 3.33Å; E135-K160 IonicContact OE1-NZ 2.74Å; E135-K160 PolarHBondContact OE1-NZ 3.45Å; E135-K160 WeakPolarHBondContact OE2-CD 3.49Å; E135-K160 WeakPolarHBondContact OE2-CE 3.34Å; E135-K160 IonicContact OE2-NZ 3.56Å; E135-K160 PolarHBondContact OE2-NZ 2.9Å
161E98.6Very high96.9Very high53 Ų5363 Ų6325%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-140135.6-179-166.8-173.2165.700110.1E135 V136 L137 R163E135-E161 PolarHBondContact O-N 2.95Å; V136-E161 HydrophobicContact CG2-CB 4.34Å; L137-E161 PolarHBondContact N-O 2.89Å; E161-R163 HydrophobicContact CG-CG 4.14Å; E161-R163 WeakPolarHBondContact OE1-CG 3.38Å; E161-R163 IonicContact OE1-CZ 3.67Å; E161-R163 IonicContact OE1-NE 2.78Å; E161-R163 PolarHBondContact OE1-NE 3.44Å; E161-R163 IonicContact OE1-NH2 3.95Å; E161-R163 IonicContact OE2-CZ 2.77Å; E161-R163 IonicContact OE2-NE 2.68Å; E161-R163 PolarHBondContact OE2-NE 2.96Å; E161-R163 IonicContact OE2-NH2 3.29Å; E161-R163 PolarHBondContact OE2-NH2 3.24Å
162V98.8Very high96.8Very high13 Ų1359.8 Ų59.88%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-119.5126170-175.90000108.6L137 Y150 T154 F159 V183 T184L137-V162 HydrophobicContact CB-CG2 4.46Å; L137-V162 HydrophobicContact CD2-CG1 4.14Å; L137-V162 HydrophobicContact CD2-CG2 4.44Å; L137-V162 HydrophobicContact CG-CG1 4.37Å; L137-V162 CarbonylContact O-C 3.59Å; L137-V162 WeakPolarHBondContact O-CA 3.24Å; Y150-V162 HydrophobicContact CD2-CG1 3.98Å; Y150-V162 HydrophobicContact CE2-CG1 4.02Å; T154-V162 HydrophobicContact CG2-CG2 4.31Å; F159-V162 HydrophobicContact CB-CG2 4.27Å; V162-V183 HydrophobicContact CB-CG2 4.35Å; V162-V183 HydrophobicContact CG1-CG1 4.39Å; V162-V183 HydrophobicContact CG1-CG2 4.13Å; V162-V183 CarbonylContact O-C 3.52Å; V162-V183 WeakPolarHBondContact O-CA 3.24Å; V162-T184 PolarHBondContact O-N 3.39Å
163R98.8Very high96.7Very high25 Ų2563.4 Ų63.49%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-114.5147.9-177.1-59.5175.8-178.7166.37.5110V136 L137 T138 I139 E161 T184 A192 N194V136-R163 HydrophobicContact CG1-CG 4.48Å; V136-R163 VanDerWaalsContact CG1-CZ 3.44Å; L137-R163 PolarHBondContact O-N 2.93Å; T138-R163 HydrophobicContact CG2-CB 4.18Å; I139-R163 PolarHBondContact N-O 3.13Å; E161-R163 HydrophobicContact CG-CG 4.14Å; E161-R163 WeakPolarHBondContact OE1-CG 3.38Å; E161-R163 IonicContact OE1-CZ 3.67Å; E161-R163 IonicContact OE1-NE 2.78Å; E161-R163 PolarHBondContact OE1-NE 3.44Å; E161-R163 IonicContact OE1-NH2 3.95Å; E161-R163 IonicContact OE2-CZ 2.77Å; E161-R163 IonicContact OE2-NE 2.68Å; E161-R163 PolarHBondContact OE2-NE 2.96Å; E161-R163 IonicContact OE2-NH2 3.29Å; E161-R163 PolarHBondContact OE2-NH2 3.24Å; R163-T184 CarbonylContact C-O 3.49Å; R163-T184 WeakPolarHBondContact CA-O 3.49Å; R163-A192 WeakPolarHBondContact CD-O 3.19Å; R163-A192 PolarHBondContact NH1-O 3.33Å; R163-N194 PolarHBondContact NH1-O 2.78Å
164V98.7Very high96.6Very high0 Ų070.4 Ų70.40%033%0.328CS..EExtended strand (participates in β ladder)trans-133.9141.417269.60000110.9I139 A142 A172 F175 V183 T184 V185 W186I139-V164 WeakPolarHBondContact O-CA 3.41Å; A142-V164 HydrophobicContact CB-CG2 4.44Å; V164-A172 HydrophobicContact CG1-CB 4.15Å; V164-F175 HydrophobicContact CB-CD1 4.06Å; V164-F175 HydrophobicContact CB-CE1 4.08Å; V164-F175 HydrophobicContact CG1-CD1 4.11Å; V164-F175 HydrophobicContact CG2-CD1 3.7Å; V164-F175 HydrophobicContact CG2-CE1 3.86Å; V164-F175 HydrophobicContact CG2-CG 4.48Å; V164-V183 HydrophobicContact CB-CG1 3.75Å; V164-V183 HydrophobicContact CG1-CG1 3.52Å; V164-T184 PolarHBondContact N-O 2.78Å; V164-V185 HydrophobicContact CG1-CB 4.37Å; V164-V185 HydrophobicContact CG1-CG2 3.86Å; V164-W186 PolarHBondContact O-N 3.33Å
165W98.6Very high96.6Very high37 Ų3768.2 Ų68.214%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-128145.3164.9173.689.4000109.6I139 L140 G141 R167 E187 S188 V189 A192I139-W165 PolarHBondContact O-N 2.98Å; L140-W165 HydrophobicContact CB-CE3 4.38Å; L140-W165 HydrophobicContact CD2-CB 3.9Å; L140-W165 HydrophobicContact CD2-CE3 4.32Å; G141-W165 PolarHBondContact N-O 3.12Å; W165-R167 HydrophobicContact CH2-CB 4.16Å; W165-R167 HydrophobicContact CZ2-CB 4.38Å; W165-E187 PolarHBondContact NE1-O 3.28Å; W165-E187 VanDerWaalsContact NE1-O 3.07Å; W165-S188 VanDerWaalsContact CD1-C 3.46Å; W165-V189 HydrophobicContact CD2-CG2 3.46Å; W165-V189 VanDerWaalsContact CD2-CG2 3.46Å; W165-V189 HydrophobicContact CE3-CG2 3.56Å; W165-V189 HydrophobicContact CG-CG2 4.11Å; W165-V189 HydrophobicContact CH2-CG2 3.74Å; W165-V189 HydrophobicContact CZ2-CG2 3.69Å; W165-V189 HydrophobicContact CZ3-CG2 3.69Å; W165-A192 HydrophobicContact CB-CB 4.03Å
166S96.6Very high96.6Very high21 Ų2163.5 Ų63.515%0.14730%0.295CS..  trans-146.3148.3167-177.20000108.8R168S166-R168 CarbonylContact O-C 3.51Å; S166-R168 PolarHBondContact O-N 3.49Å
167R92.6Very high96.6Very high198 Ų19868.2 Ų68.275%0.74731%0.313SS*.SBendtrans-50.3-28.8176.8174.8171.343.6174.5-9.4114W165W165-R167 HydrophobicContact CH2-CB 4.16Å; W165-R167 HydrophobicContact CZ2-CB 4.38Å
168R91.5Very high96.5Very high111 Ų11170.3 Ų70.342%0.41933%0.331SS..SBendtrans-113.1116.7172-66.2-173.8-57.2166.32.3109.1S166 E170 T171 A172S166-R168 CarbonylContact O-C 3.51Å; S166-R168 PolarHBondContact O-N 3.49Å; R168-E170 VanDerWaalsContact C-N 3.26Å; R168-E170 PolarHBondContact O-N 3.31Å; R168-T171 PolarHBondContact NE-OG1 3.36Å; R168-T171 PolarHBondContact NH2-OG1 3.48Å; R168-T171 WeakPolarHBondContact O-CB 3.29Å; R168-T171 PolarHBondContact O-N 3.18Å; R168-A172 PolarHBondContact O-N 3.44Å
169K93.6Very high96.5Very high95 Ų9565.3 Ų65.341%0.41330%0.296SS..Hα-helixtrans-55.4-41.1-177.6-175.1173.2178.2171.60112.1T171 A172 E173 E187K169-T171 PolarHBondContact O-N 2.93Å; K169-T171 VanDerWaalsContact O-N 3.14Å; K169-A172 WeakPolarHBondContact O-CB 3.46Å; K169-A172 PolarHBondContact O-N 3.37Å; K169-E173 WeakPolarHBondContact CE-OE1 3.45Å; K169-E173 HydrophobicContact CG-CG 4.35Å; K169-E173 WeakPolarHBondContact O-CG 3.2Å; K169-E173 PolarHBondContact O-N 2.84Å; K169-E187 IonicContact NZ-OE1 3.89Å; K169-E187 PolarHBondContact NZ-OE1 3.32Å
170E94.5Very high96.2Very high117 Ų11773.6 Ų73.655%0.54734%0.335SS..Hα-helixtrans-65.1-22.5179.7-47.480.5179.200112.5R168 R174R168-E170 VanDerWaalsContact C-N 3.26Å; R168-E170 PolarHBondContact O-N 3.31Å; E170-R174 WeakPolarHBondContact O-CB 3.33Å; E170-R174 VanDerWaalsContact O-CG 3.28Å; E170-R174 WeakPolarHBondContact O-CG 3.47Å; E170-R174 PolarHBondContact O-N 2.98Å; E170-R174 PolarHBondContact O-NE 2.89Å; E170-R174 VanDerWaalsContact O-NE 3.12Å
171T93.5Very high96Very high21 Ų2167.9 Ų67.913%0.12932%0.32CS..Hα-helixtrans-79.7-38.8174-50.20000110.7A142 R168 K169 F175A142-T171 HydrophobicContact CB-CG2 3.88Å; R168-T171 PolarHBondContact NE-OG1 3.36Å; R168-T171 PolarHBondContact NH2-OG1 3.48Å; R168-T171 WeakPolarHBondContact O-CB 3.29Å; R168-T171 PolarHBondContact O-N 3.18Å; K169-T171 PolarHBondContact O-N 2.93Å; K169-T171 VanDerWaalsContact O-N 3.14Å; T171-F175 WeakPolarHBondContact O-CB 3.18Å; T171-F175 PolarHBondContact O-N 3.02Å
172A96.6Very high95.9Very high0 Ų072.9 Ų72.90%034%0.343CS..Hα-helixtrans-67-40.1174.800000112.1V164 R168 K169 F175 A176 V185V164-A172 HydrophobicContact CG1-CB 4.15Å; R168-A172 PolarHBondContact O-N 3.44Å; K169-A172 WeakPolarHBondContact O-CB 3.46Å; K169-A172 PolarHBondContact O-N 3.37Å; A172-F175 WeakPolarHBondContact O-CB 3.4Å; A172-F175 PolarHBondContact O-N 2.99Å; A172-A176 PolarHBondContact O-N 3.24Å; A172-V185 HydrophobicContact CB-CG1 3.67Å; A172-V185 HydrophobicContact CB-CG2 4.47Å
173E97.2Very high95.9Very high76 Ų7672.8 Ų72.836%0.35534%0.342SS..Hα-helixtrans-64.2-46176-71172.2168.200112.1K169 F175 A176 Q177 V185K169-E173 WeakPolarHBondContact CE-OE1 3.45Å; K169-E173 HydrophobicContact CG-CG 4.35Å; K169-E173 WeakPolarHBondContact O-CG 3.2Å; K169-E173 PolarHBondContact O-N 2.84Å; E173-F175 VanDerWaalsContact C-N 3.28Å; E173-F175 PolarHBondContact O-N 3.31Å; E173-A176 PolarHBondContact O-N 3.33Å; E173-Q177 VanDerWaalsContact O-CG 3.29Å; E173-Q177 WeakPolarHBondContact O-CG 3.32Å; E173-Q177 PolarHBondContact O-N 2.86Å; E173-V185 HydrophobicContact CG-CG2 4.39Å
174R96.6Very high95.8Very high147 Ų14773.4 Ų73.456%0.55535%0.349SS*.Hα-helixtrans-61.5-38.7174.6-77-175.5-63.5150.41.3112.2E170 Q177 S178E170-R174 WeakPolarHBondContact O-CB 3.33Å; E170-R174 VanDerWaalsContact O-CG 3.28Å; E170-R174 WeakPolarHBondContact O-CG 3.47Å; E170-R174 PolarHBondContact O-N 2.98Å; E170-R174 PolarHBondContact O-NE 2.89Å; E170-R174 VanDerWaalsContact O-NE 3.12Å; R174-Q177 PolarHBondContact O-N 2.7Å; R174-S178 PolarHBondContact O-N 2.7Å
175F97.6Very high95.8Very high9 Ų975.5 Ų75.54%0.03936%0.361CS..Hα-helixtrans-60.7-51.7173.9170.3-90.8000111.1I139 A142 A146 L147 Y150 V164 T171 A172 E173 Q177 S178 T179 V183I139-F175 HydrophobicContact CD1-CZ 4.23Å; A142-F175 HydrophobicContact CB-CB 3.82Å; A142-F175 HydrophobicContact CB-CG 4.16Å; A146-F175 HydrophobicContact CB-CD2 4.18Å; A146-F175 HydrophobicContact CB-CE2 3.66Å; A146-F175 HydrophobicContact CB-CZ 4.15Å; L147-F175 HydrophobicContact CB-CE2 4.21Å; L147-F175 HydrophobicContact CD1-CE2 4.49Å; Y150-F175 HydrophobicContact CG-CZ 4.32Å; V164-F175 HydrophobicContact CB-CD1 4.06Å; V164-F175 HydrophobicContact CB-CE1 4.08Å; V164-F175 HydrophobicContact CG1-CD1 4.11Å; V164-F175 HydrophobicContact CG2-CD1 3.7Å; V164-F175 HydrophobicContact CG2-CE1 3.86Å; V164-F175 HydrophobicContact CG2-CG 4.48Å; T171-F175 WeakPolarHBondContact O-CB 3.18Å; T171-F175 PolarHBondContact O-N 3.02Å; A172-F175 WeakPolarHBondContact O-CB 3.4Å; A172-F175 PolarHBondContact O-N 2.99Å; E173-F175 VanDerWaalsContact C-N 3.28Å; E173-F175 PolarHBondContact O-N 3.31Å; F175-Q177 PolarHBondContact O-N 2.87Å; F175-S178 PolarHBondContact O-N 2.85Å; F175-S178 PolarHBondContact O-OG 3.18Å; F175-T179 HydrophobicContact CE1-CG2 4.15Å; F175-T179 HydrophobicContact CE2-CG2 4.39Å; F175-T179 HydrophobicContact CZ-CG2 4.07Å; F175-T179 PolarHBondContact O-N 3.48Å; F175-V183 HydrophobicContact CE1-CG1 4.23Å
176A97.6Very high95.8Very high21 Ų2177.3 Ų77.317%0.17437%0.368CS..Hα-helixtrans-58.3-36.7178.100000112.3A172 E173 T179 V183 V185A172-A176 PolarHBondContact O-N 3.24Å; E173-A176 PolarHBondContact O-N 3.33Å; A176-T179 PolarHBondContact O-OG1 3.01Å; A176-V183 HydrophobicContact CB-CB 3.98Å; A176-V183 HydrophobicContact CB-CG1 4.31Å; A176-V185 HydrophobicContact CB-CG2 3.89Å
177Q96.9Very high95.7Very high156 Ų15683 Ų8373%0.72939%0.392SS*.Hα-helixtrans-70.3-27.3174.6-70.2168.77.900113.9E173 R174 F175E173-Q177 VanDerWaalsContact O-CG 3.29Å; E173-Q177 WeakPolarHBondContact O-CG 3.32Å; E173-Q177 PolarHBondContact O-N 2.86Å; R174-Q177 PolarHBondContact O-N 2.7Å; F175-Q177 PolarHBondContact O-N 2.87Å
178S95.8Very high96Very high71 Ų7175.3 Ų75.350%0.49737%0.369SS..Hα-helixtrans-82.2-12.2178.769.90000114.3R174 F175R174-S178 PolarHBondContact O-N 2.7Å; F175-S178 PolarHBondContact O-N 2.85Å; F175-S178 PolarHBondContact O-OG 3.18Å
179T96.4Very high96.3Very high15 Ų1570.7 Ų70.79%0.09235%0.353CS..SBendtrans-87.9152.8-17953.60000112.1L147 Y150 F175 A176 G181 V183L147-T179 HydrophobicContact CD1-CG2 4.32Å; Y150-T179 HydrophobicContact CD1-CG2 3.47Å; Y150-T179 VanDerWaalsContact CD1-CG2 3.47Å; Y150-T179 HydrophobicContact CD2-CG2 3.99Å; Y150-T179 VanDerWaalsContact CE1-CB 3.46Å; Y150-T179 HydrophobicContact CE1-CG2 3.52Å; Y150-T179 HydrophobicContact CE2-CG2 4.02Å; Y150-T179 HydrophobicContact CG-CG2 3.72Å; F175-T179 HydrophobicContact CE1-CG2 4.15Å; F175-T179 HydrophobicContact CE2-CG2 4.39Å; F175-T179 HydrophobicContact CZ-CG2 4.07Å; F175-T179 PolarHBondContact O-N 3.48Å; A176-T179 PolarHBondContact O-OG1 3.01Å; T179-G181 PolarHBondContact OG1-O 3.37Å; T179-V183 HydrophobicContact CG2-CG2 4.34Å; T179-V183 WeakPolarHBondContact OG1-CG2 3.27Å
180Q91.3Very high96.5Very high206 Ų20670.9 Ų70.996%0.96336%0.356SS*.SBendtrans-77.4-22.1-179.3-69.4-173.8-1400113.8
181G94.1Very high96.7Very high34 Ų3469.8 Ų69.835%0.35135%0.351SS..SBendtrans-111.8174179.900000113.3Y150 T179 V183Y150-G181 VanDerWaalsContact OH-CA 3.24Å; Y150-G181 WeakPolarHBondContact OH-CA 3.49Å; Y150-G181 PolarHBondContact OH-N 3.17Å; T179-G181 PolarHBondContact OG1-O 3.37Å; G181-V183 PolarHBondContact O-N 3.1Å
182H96.3Very high96.9Very high158 Ų15868.8 Ų68.873%0.73134%0.344SS*.  trans-70127.8176-175.671.2000110.9T184H182-T184 PolarHBondContact NE2-OG1 2.88Å
183V98.4Very high97Very high10 Ų1068.8 Ų68.86%0.06134%0.344CS..  trans-125.6123.5173.3178.80000108.6Y150 V162 V164 F175 A176 T179 G181Y150-V183 HydrophobicContact CD2-CG2 4.11Å; Y150-V183 HydrophobicContact CE2-CG2 3.5Å; V162-V183 HydrophobicContact CB-CG2 4.35Å; V162-V183 HydrophobicContact CG1-CG1 4.39Å; V162-V183 HydrophobicContact CG1-CG2 4.13Å; V162-V183 CarbonylContact O-C 3.52Å; V162-V183 WeakPolarHBondContact O-CA 3.24Å; V164-V183 HydrophobicContact CB-CG1 3.75Å; V164-V183 HydrophobicContact CG1-CG1 3.52Å; F175-V183 HydrophobicContact CE1-CG1 4.23Å; A176-V183 HydrophobicContact CB-CB 3.98Å; A176-V183 HydrophobicContact CB-CG1 4.31Å; T179-V183 HydrophobicContact CG2-CG2 4.34Å; T179-V183 WeakPolarHBondContact OG1-CG2 3.27Å; G181-V183 PolarHBondContact O-N 3.1Å
184T98.4Very high97Very high39 Ų3970.7 Ų70.724%0.23936%0.357CS..EExtended strand (participates in β ladder)trans-84.6123178.3-51.20000110.1V162 R163 V164 H182V162-T184 PolarHBondContact O-N 3.39Å; R163-T184 CarbonylContact C-O 3.49Å; R163-T184 WeakPolarHBondContact CA-O 3.49Å; V164-T184 PolarHBondContact N-O 2.78Å; H182-T184 PolarHBondContact NE2-OG1 2.88Å
185V98.4Very high97.1Very high43 Ų4365.1 Ų65.126%0.26135%0.345SS..EExtended strand (participates in β ladder)trans-88.1126.2177.7-1780000109.4V164 A172 E173 A176V164-V185 HydrophobicContact CG1-CB 4.37Å; V164-V185 HydrophobicContact CG1-CG2 3.86Å; A172-V185 HydrophobicContact CB-CG1 3.67Å; A172-V185 HydrophobicContact CB-CG2 4.47Å; E173-V185 HydrophobicContact CG-CG2 4.39Å; A176-V185 HydrophobicContact CB-CG2 3.89Å
186W98.1Very high97.2Very high76 Ų7664.7 Ų64.729%0.28834%0.343SS..  trans-109.1150.3176.6-72.987.3000111.4V164 E191 A192V164-W186 PolarHBondContact O-N 3.33Å; W186-E191 HydrophobicContact CD2-CB 4.19Å; W186-E191 HydrophobicContact CE3-CB 3.3Å; W186-E191 HydrophobicContact CE3-CG 4.28Å; W186-E191 HydrophobicContact CZ3-CB 3.54Å; W186-E191 HydrophobicContact CZ3-CG 4.25Å; W186-A192 HydrophobicContact CB-CB 3.7Å; W186-A192 HydrophobicContact CG-CB 3.98Å
187E95.1Very high97.2Very high139 Ų13964 Ų6465%0.6534%0.337SS*.SBendtrans-88.4-29.7-176.1-58.8-163158.900112.6W165 K169W165-E187 PolarHBondContact NE1-O 3.28Å; W165-E187 VanDerWaalsContact NE1-O 3.07Å; K169-E187 IonicContact NZ-OE1 3.89Å; K169-E187 PolarHBondContact NZ-OE1 3.32Å
188S97.8Very high97.3Very high38 Ų3856.5 Ų56.527%0.26630%0.302SS..SBendtrans-119.6153177.173.20000112.3W165 E190 E191 A192W165-S188 VanDerWaalsContact CD1-C 3.46Å; S188-E190 VanDerWaalsContact C-N 3.35Å; S188-E191 WeakPolarHBondContact OG-CB 3.27Å; S188-E191 WeakPolarHBondContact OG-CG 3.35Å; S188-E191 PolarHBondContact OG-N 3.19Å; S188-E191 PolarHBondContact OG-OE2 2.9Å; S188-A192 WeakPolarHBondContact O-CB 3.2Å; S188-A192 PolarHBondContact O-N 2.65Å
189V98.1Very high97.5Very high13 Ų1353.1 Ų53.18%0.07928%0.278CS..Hα-helixtrans-64.7-43174.3177.70000110.5L140 W165 E191 A192 V193 V209 L210 W214L140-V189 HydrophobicContact CD1-CG1 3.58Å; L140-V189 HydrophobicContact CD2-CG1 4Å; L140-V189 HydrophobicContact CG-CG1 4.47Å; W165-V189 HydrophobicContact CD2-CG2 3.46Å; W165-V189 VanDerWaalsContact CD2-CG2 3.46Å; W165-V189 HydrophobicContact CE3-CG2 3.56Å; W165-V189 HydrophobicContact CG-CG2 4.11Å; W165-V189 HydrophobicContact CH2-CG2 3.74Å; W165-V189 HydrophobicContact CZ2-CG2 3.69Å; W165-V189 HydrophobicContact CZ3-CG2 3.69Å; V189-E191 PolarHBondContact O-N 2.94Å; V189-A192 WeakPolarHBondContact O-CB 3.18Å; V189-A192 PolarHBondContact O-N 2.84Å; V189-A192 VanDerWaalsContact O-N 3.16Å; V189-V193 HydrophobicContact CG1-CG1 4.12Å; V189-V193 WeakPolarHBondContact O-CG2 3.24Å; V189-V193 PolarHBondContact O-N 3.29Å; V189-V209 WeakPolarHBondContact CG1-O 3.36Å; V189-L210 HydrophobicContact CG1-CD1 4.34Å; V189-W214 HydrophobicContact CB-CE3 4.44Å; V189-W214 HydrophobicContact CB-CZ3 3.9Å; V189-W214 HydrophobicContact CG1-CE3 4.06Å; V189-W214 HydrophobicContact CG1-CZ3 3.87Å
190E98.3Very high97.6Very high99 Ų9952.4 Ų52.446%0.46327%0.274SS..Hα-helixtrans-53.8-51.8-179.2176.4164.4-157.300111.9S188 A192 V193 N194 W214S188-E190 VanDerWaalsContact C-N 3.35Å; E190-A192 PolarHBondContact O-N 3.31Å; E190-V193 PolarHBondContact O-N 2.65Å; E190-N194 WeakPolarHBondContact O-CB 3.34Å; E190-N194 PolarHBondContact O-N 3.44Å; E190-N194 VanDerWaalsContact O-N 3.08Å; E190-W214 HydrophobicContact CB-CD2 3.76Å; E190-W214 HydrophobicContact CB-CE3 4.1Å; E190-W214 HydrophobicContact CB-CG 4.11Å; E190-W214 HydrophobicContact CB-CH2 4.36Å; E190-W214 HydrophobicContact CB-CZ2 4.02Å; E190-W214 HydrophobicContact CB-CZ3 4.38Å; E190-W214 HydrophobicContact CG-CD2 4.05Å; E190-W214 HydrophobicContact CG-CG 3.91Å; E190-W214 PolarHBondContact OE1-NE1 3.07Å; E190-W214 VanDerWaalsContact OE1-NE1 3.12Å; E190-W214 PolarHBondContact OE2-NE1 3.32Å
191E97.6Very high97.9Very high95 Ų9542.6 Ų42.644%0.44423%0.228SC..Hα-helixtrans-67.3-38.3178.9-63.6165.4141.700111.9W186 S188 V189 V193 N194W186-E191 HydrophobicContact CD2-CB 4.19Å; W186-E191 HydrophobicContact CE3-CB 3.3Å; W186-E191 HydrophobicContact CE3-CG 4.28Å; W186-E191 HydrophobicContact CZ3-CB 3.54Å; W186-E191 HydrophobicContact CZ3-CG 4.25Å; S188-E191 WeakPolarHBondContact OG-CB 3.27Å; S188-E191 WeakPolarHBondContact OG-CG 3.35Å; S188-E191 PolarHBondContact OG-N 3.19Å; S188-E191 PolarHBondContact OG-OE2 2.9Å; V189-E191 PolarHBondContact O-N 2.94Å; E191-V193 VanDerWaalsContact C-N 3.34Å; E191-V193 PolarHBondContact O-N 3.14Å; E191-N194 PolarHBondContact O-N 3.43Å
192A98.2Very high98.1Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-61.5-41.4179.900000112.3T138 L140 R163 W165 W186 S188 V189 E190T138-A192 HydrophobicContact CG2-CB 3.81Å; T138-A192 WeakPolarHBondContact CG2-O 3.19Å; T138-A192 PolarHBondContact OG1-O 3.45Å; L140-A192 HydrophobicContact CD2-CB 4.4Å; R163-A192 WeakPolarHBondContact CD-O 3.19Å; R163-A192 PolarHBondContact NH1-O 3.33Å; W165-A192 HydrophobicContact CB-CB 4.03Å; W186-A192 HydrophobicContact CB-CB 3.7Å; W186-A192 HydrophobicContact CG-CB 3.98Å; S188-A192 WeakPolarHBondContact O-CB 3.2Å; S188-A192 PolarHBondContact O-N 2.65Å; V189-A192 WeakPolarHBondContact O-CB 3.18Å; V189-A192 PolarHBondContact O-N 2.84Å; V189-A192 VanDerWaalsContact O-N 3.16Å; E190-A192 PolarHBondContact O-N 3.31Å
193V98.6Very high98Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-89.8-13.6-176.4-56.50000113.7T138 L140 V189 E190 E191 G195 A196 I199 L210 W214T138-V193 HydrophobicContact CG2-CG1 3.95Å; L140-V193 HydrophobicContact CD1-CG1 4.1Å; L140-V193 HydrophobicContact CD2-CG1 4.02Å; L140-V193 HydrophobicContact CG-CG1 4.38Å; V189-V193 HydrophobicContact CG1-CG1 4.12Å; V189-V193 WeakPolarHBondContact O-CG2 3.24Å; V189-V193 PolarHBondContact O-N 3.29Å; E190-V193 PolarHBondContact O-N 2.65Å; E191-V193 VanDerWaalsContact C-N 3.34Å; E191-V193 PolarHBondContact O-N 3.14Å; V193-G195 PolarHBondContact O-N 2.55Å; V193-A196 VanDerWaalsContact O-CB 3.27Å; V193-A196 WeakPolarHBondContact O-CB 3.08Å; V193-A196 PolarHBondContact O-N 2.92Å; V193-I199 HydrophobicContact CB-CD1 3.87Å; V193-I199 HydrophobicContact CB-CG1 4.49Å; V193-I199 HydrophobicContact CG1-CD1 4.01Å; V193-I199 HydrophobicContact CG1-CG1 4.35Å; V193-I199 HydrophobicContact CG1-CG2 4.2Å; V193-L210 HydrophobicContact CB-CD1 4.28Å; V193-L210 HydrophobicContact CG1-CD1 3.84Å; V193-L210 HydrophobicContact CG2-CD1 4.01Å; V193-W214 HydrophobicContact CG2-CB 3.56Å
194N97.9Very high97.6Very high115 Ų11537.7 Ų37.762%0.61521%0.213SC*.THydrogen-bonded Turntrans-60114.7-179.9-1749.6000111.2R163 E190 E191 A196R163-N194 PolarHBondContact NH1-O 2.78Å; E190-N194 WeakPolarHBondContact O-CB 3.34Å; E190-N194 PolarHBondContact O-N 3.44Å; E190-N194 VanDerWaalsContact O-N 3.08Å; E191-N194 PolarHBondContact O-N 3.43Å; N194-A196 VanDerWaalsContact C-N 3.27Å; N194-A196 PolarHBondContact O-N 2.88Å
195G98.1Very high97.2Very high30 Ų3036.6 Ų36.631%0.30921%0.208SC..THydrogen-bonded Turntrans76.85.5-177.200000115.2V193V193-G195 PolarHBondContact O-N 2.55Å
196A98.8Very high96.9Very high0 Ų036.5 Ų36.50%021%0.21CC..  trans-67.2135.9174.800000111.3V136 T138 V193 N194 I199 K216 A219V136-A196 HydrophobicContact CG1-CB 4.17Å; T138-A196 WeakPolarHBondContact OG1-CB 3.44Å; V193-A196 VanDerWaalsContact O-CB 3.27Å; V193-A196 WeakPolarHBondContact O-CB 3.08Å; V193-A196 PolarHBondContact O-N 2.92Å; N194-A196 VanDerWaalsContact C-N 3.27Å; N194-A196 PolarHBondContact O-N 2.88Å; A196-I199 HydrophobicContact CB-CD1 4.33Å; A196-I199 HydrophobicContact CB-CG1 3.84Å; A196-K216 WeakPolarHBondContact O-CB 3.33Å; A196-A219 WeakPolarHBondContact O-CB 3.38Å
197D98.8Very high96.8Very high6 Ų639.3 Ų39.33%0.03223%0.226CC..SBendtrans-87.3-34.5176.6-59.9-62.2000111.5E135 V136 K216 A219 H220E135-D197 PolarHBondContact N-OD2 3.05Å; V136-D197 PolarHBondContact N-OD2 2.89Å; V136-D197 PolarHBondContact O-N 2.78Å; D197-K216 IonicContact OD1-NZ 2.62Å; D197-K216 PolarHBondContact OD1-NZ 2.79Å; D197-A219 VanDerWaalsContact O-CA 3.31Å; D197-A219 WeakPolarHBondContact O-CA 3.23Å; D197-H220 PolarHBondContact O-N 3.48Å
198V98.9Very high97Very high0 Ų034.2 Ų34.20%021%0.205CC..EExtended strand (participates in β ladder)trans-131.1129.2-179.8-175.20000109.1M130 V136 L137 T138 F153 F159 H220M130-V198 HydrophobicContact CB-CG2 3.84Å; M130-V198 HydrophobicContact SD-CG2 4.24Å; V136-V198 PolarHBondContact O-N 3.46Å; V136-V198 VanDerWaalsContact O-N 3.12Å; L137-V198 CarbonylContact C-O 3.56Å; L137-V198 WeakPolarHBondContact CA-O 3.49Å; L137-V198 HydrophobicContact CD1-CB 4.08Å; L137-V198 HydrophobicContact CD1-CG1 3.88Å; T138-V198 PolarHBondContact N-O 3.27Å; F153-V198 HydrophobicContact CD1-CG1 4.43Å; F153-V198 HydrophobicContact CE1-CG1 3.8Å; F159-V198 HydrophobicContact CE1-CB 4.18Å; F159-V198 HydrophobicContact CE1-CG2 3.89Å; F159-V198 HydrophobicContact CZ-CB 4.26Å; F159-V198 HydrophobicContact CZ-CG2 4.09Å; V198-H220 CarbonylContact C-O 3.52Å; V198-H220 VanDerWaalsContact CA-O 3.32Å; V198-H220 WeakPolarHBondContact CA-O 3.14Å
199I98.9Very high97Very high0 Ų033.7 Ų33.70%020%0.2CC..EExtended strand (participates in β ladder)trans-123.6132.8-179.6-56.8165.9000108.6T138 L140 V193 A196 T201 L210 V215 H220 V221 A222T138-I199 CarbonylContact O-C 3.36Å; T138-I199 VanDerWaalsContact O-CA 3.29Å; T138-I199 WeakPolarHBondContact O-CA 3.29Å; L140-I199 HydrophobicContact CD1-CG2 4.33Å; L140-I199 HydrophobicContact CG-CG2 4.3Å; V193-I199 HydrophobicContact CB-CD1 3.87Å; V193-I199 HydrophobicContact CB-CG1 4.49Å; V193-I199 HydrophobicContact CG1-CD1 4.01Å; V193-I199 HydrophobicContact CG1-CG1 4.35Å; V193-I199 HydrophobicContact CG1-CG2 4.2Å; A196-I199 HydrophobicContact CB-CD1 4.33Å; A196-I199 HydrophobicContact CB-CG1 3.84Å; I199-T201 HydrophobicContact CG2-CG2 4.3Å; I199-L210 HydrophobicContact CD1-CD2 4.43Å; I199-L210 HydrophobicContact CG2-CD2 3.93Å; I199-V215 HydrophobicContact CD1-CG1 4.32Å; I199-V215 HydrophobicContact CD1-CG2 4.26Å; I199-H220 PolarHBondContact N-O 3.37Å; I199-V221 HydrophobicContact CB-CG1 4.45Å; I199-V221 HydrophobicContact CB-CG2 4.27Å; I199-V221 HydrophobicContact CD1-CG2 4.31Å; I199-V221 CarbonylContact O-C 3.37Å; I199-V221 VanDerWaalsContact O-CA 3.29Å; I199-V221 WeakPolarHBondContact O-CA 3.36Å; I199-A222 PolarHBondContact O-N 3.33Å
200V98.9Very high97Very high0 Ų033 Ų330%020%0.196CC..EExtended strand (participates in β ladder)trans-114.4123.6174175.20000108.6L137 T138 I139 L140 H149 F153 V202 A222L137-V200 HydrophobicContact CD1-CG2 4.08Å; T138-V200 PolarHBondContact O-N 3.39Å; I139-V200 HydrophobicContact CG1-CB 4.39Å; I139-V200 HydrophobicContact CG2-CB 4.5Å; L140-V200 PolarHBondContact N-O 3.18Å; H149-V200 HydrophobicContact CB-CG1 4.18Å; H149-V200 VanDerWaalsContact CD2-CG1 3.49Å; H149-V200 WeakPolarHBondContact CD2-CG1 3.49Å; F153-V200 HydrophobicContact CE1-CG2 4.14Å; F153-V200 HydrophobicContact CE2-CG2 4.34Å; F153-V200 HydrophobicContact CZ-CG2 3.93Å; V200-V202 HydrophobicContact CG1-CG1 3.7Å; V200-V202 HydrophobicContact CG1-CG2 4.23Å; V200-A222 WeakPolarHBondContact CA-O 3.22Å; V200-A222 HydrophobicContact CG2-CB 4.34Å
201T98.8Very high97Very high0 Ų031.8 Ų31.80%019%0.189CC..EExtended strand (participates in β ladder)trans-107114173.274.20000110.3L140 I199 L210 V221 A222 A223 V224 G225 E233 L234L140-T201 HydrophobicContact CB-CG2 4.43Å; L140-T201 HydrophobicContact CD1-CG2 4.05Å; I199-T201 HydrophobicContact CG2-CG2 4.3Å; T201-L210 HydrophobicContact CG2-CD2 3.94Å; T201-V221 HydrophobicContact CG2-CG1 4.28Å; T201-A222 PolarHBondContact N-O 3.18Å; T201-A223 VanDerWaalsContact OG1-CA 3.3Å; T201-A223 WeakPolarHBondContact OG1-CA 3.44Å; T201-V224 WeakPolarHBondContact O-CA 3.45Å; T201-V224 WeakPolarHBondContact O-CB 3.33Å; T201-V224 PolarHBondContact O-N 2.7Å; T201-G225 PolarHBondContact O-N 3.42Å; T201-E233 VanDerWaalsContact CB-OE2 3.29Å; T201-E233 WeakPolarHBondContact CB-OE2 3.43Å; T201-E233 PolarHBondContact OG1-OE2 3.13Å; T201-L234 HydrophobicContact CG2-CD2 4.1Å
202V97.3Very high97.1Very high17 Ų1727.7 Ų27.710%0.10317%0.173CC..  trans-136.343.1-175-75.40000109.9I139 L140 Q145 A146 V200 V224I139-V202 HydrophobicContact CG2-CG2 3.89Å; L140-V202 WeakPolarHBondContact O-CG2 3.4Å; L140-V202 PolarHBondContact O-N 2.95Å; Q145-V202 HydrophobicContact CB-CB 3.85Å; Q145-V202 HydrophobicContact CB-CG1 3.74Å; A146-V202 HydrophobicContact CB-CG2 3.85Å; V200-V202 HydrophobicContact CG1-CG1 3.7Å; V200-V202 HydrophobicContact CG1-CG2 4.23Å; V202-V224 HydrophobicContact CG1-CB 3.78Å; V202-V224 HydrophobicContact CG1-CG1 4.14Å; V202-V224 HydrophobicContact CG1-CG2 4.14Å
203T94.2Very high97Very high25 Ų2535 Ų3515%0.15321%0.207CC..  trans-94.5165.8-178.8830000111.8L140 A205 V209 E233L140-T203 HydrophobicContact CB-CG2 4.25Å; L140-T203 WeakPolarHBondContact O-CG2 3.32Å; T203-A205 VanDerWaalsContact C-N 3.32Å; T203-A205 VanDerWaalsContact OG1-CB 3.24Å; T203-A205 WeakPolarHBondContact OG1-CB 3.44Å; T203-A205 PolarHBondContact OG1-N 3.13Å; T203-A205 VanDerWaalsContact OG1-N 3.1Å; T203-V209 HydrophobicContact CG2-CG2 4.35Å; T203-E233 VanDerWaalsContact CA-OE1 3.3Å; T203-E233 WeakPolarHBondContact CA-OE1 3.38Å; T203-E233 WeakPolarHBondContact CB-OE1 3.44Å; T203-E233 WeakPolarHBondContact CG2-OE1 3.37Å; T203-E233 PolarHBondContact N-OE1 2.87Å; T203-E233 PolarHBondContact OG1-OE1 3.27Å
204G89.6Confident97Very high56 Ų5637.5 Ų37.558%0.57722%0.216SC*.  trans-96.427.9166.900000112.7
205A91.2Very high97.1Very high16 Ų1632.7 Ų32.713%0.13219%0.191CC..  trans-71.5148.1177.800000111.2T203 V209T203-A205 VanDerWaalsContact C-N 3.32Å; T203-A205 VanDerWaalsContact OG1-CB 3.24Å; T203-A205 WeakPolarHBondContact OG1-CB 3.44Å; T203-A205 PolarHBondContact OG1-N 3.13Å; T203-A205 VanDerWaalsContact OG1-N 3.1Å; A205-V209 HydrophobicContact CB-CG1 3.62Å
206S92.4Very high97.1Very high42 Ų4235.1 Ų35.129%0.29419%0.193SC..SBendtrans-106.3-11.4169.457.50000112.4R232S206-R232 CarbonylContact C-O 3.56Å; S206-R232 PolarHBondContact O-N 3.31Å
207E95.8Very high97Very high134 Ų13440.6 Ų40.663%0.62623%0.228SC*.SBendtrans-122151.3179.2-63.9-60.815300109.3V209 R232E207-V209 PolarHBondContact O-N 2.99Å; E207-R232 CarbonylContact C-O 3.53Å; E207-R232 PolarHBondContact N-O 2.75Å
208P98Very high97Very high33 Ų3340.9 Ų40.921%0.21423%0.233CC..  trans-51.1129.3-178.2-28.736.5000113.5F211 R232 D235P208-F211 HydrophobicContact CB-CZ 4.23Å; P208-R232 HydrophobicContact CG-CB 4.05Å; P208-D235 HydrophobicContact CB-CB 4.08Å
209V97.9Very high97Very high26 Ų2640.9 Ų40.916%0.15823%0.233CC..  trans-110.5-26.9173.5-65.90000111.7V189 T203 A205 E207 E233V189-V209 WeakPolarHBondContact CG1-O 3.36Å; T203-V209 HydrophobicContact CG2-CG2 4.35Å; A205-V209 HydrophobicContact CB-CG1 3.62Å; E207-V209 PolarHBondContact O-N 2.99Å; V209-E233 HydrophobicContact CG2-CB 4.19Å; V209-E233 WeakPolarHBondContact CG2-O 3.45Å; V209-E233 PolarHBondContact N-O 2.87Å
210L98.7Very high97Very high0 Ų040.9 Ų40.90%023%0.233CC..BIsolated β-bridgetrans-108.4121.8177.8-179.257.1000110.1L140 V189 V193 I199 T201 V215 V221 E233 L234 D235 L238L140-L210 HydrophobicContact CD1-CB 4.11Å; L140-L210 HydrophobicContact CD1-CD1 4.23Å; V189-L210 HydrophobicContact CG1-CD1 4.34Å; V193-L210 HydrophobicContact CB-CD1 4.28Å; V193-L210 HydrophobicContact CG1-CD1 3.84Å; V193-L210 HydrophobicContact CG2-CD1 4.01Å; I199-L210 HydrophobicContact CD1-CD2 4.43Å; I199-L210 HydrophobicContact CG2-CD2 3.93Å; T201-L210 HydrophobicContact CG2-CD2 3.94Å; L210-V215 HydrophobicContact CD1-CG2 3.85Å; L210-V215 HydrophobicContact CD2-CG2 4.34Å; L210-V215 HydrophobicContact CG-CG2 4.13Å; L210-V221 HydrophobicContact CD2-CG1 3.88Å; L210-V221 HydrophobicContact CD2-CG2 4.26Å; L210-E233 PolarHBondContact N-O 3.33Å; L210-L234 HydrophobicContact CB-CD2 3.84Å; L210-L234 HydrophobicContact CD2-CD2 3.82Å; L210-L234 HydrophobicContact CG-CD2 4.22Å; L210-D235 PolarHBondContact O-N 3.02Å; L210-D235 VanDerWaalsContact O-N 3.11Å; L210-L238 HydrophobicContact CD2-CD2 3.82Å; L210-L238 HydrophobicContact CG-CD2 3.89Å
211F98.8Very high97Very high72 Ų7240.9 Ų40.932%0.31623%0.233SC..  trans-109.5133.6-178.9-66.5-101.2000110.7P208 Q213 W214 D235P208-F211 HydrophobicContact CB-CZ 4.23Å; F211-Q213 HydrophobicContact CB-CG 4.13Å; F211-Q213 PolarHBondContact O-N 2.78Å; F211-Q213 VanDerWaalsContact O-N 3.13Å; F211-W214 HydrophobicContact CB-CD2 4Å; F211-W214 HydrophobicContact CB-CE3 3.94Å; F211-W214 HydrophobicContact CB-CH2 4.37Å; F211-W214 HydrophobicContact CB-CZ2 4.44Å; F211-W214 HydrophobicContact CB-CZ3 4.15Å; F211-W214 HydrophobicContact CD2-CE3 4.08Å; F211-W214 AromaticContact CD2-CH2 3.43Å; F211-W214 HydrophobicContact CD2-CH2 3.43Å; F211-W214 VanDerWaalsContact CD2-CH2 3.43Å; F211-W214 HydrophobicContact CD2-CZ2 4.14Å; F211-W214 AromaticContact CD2-CZ3 3.41Å; F211-W214 HydrophobicContact CD2-CZ3 3.41Å; F211-W214 VanDerWaalsContact CD2-CZ3 3.41Å; F211-W214 HydrophobicContact CE2-CH2 4.03Å; F211-W214 HydrophobicContact CE2-CZ3 4.26Å; F211-W214 HydrophobicContact CG-CE3 4.48Å; F211-W214 HydrophobicContact CG-CH2 4.15Å; F211-W214 HydrophobicContact CG-CZ2 4.46Å; F211-W214 HydrophobicContact CG-CZ3 4.19Å; F211-W214 PolarHBondContact O-N 2.97Å; F211-D235 WeakPolarHBondContact CA-OD1 3.38Å; F211-D235 HydrophobicContact CD1-CB 3.7Å; F211-D235 HydrophobicContact CE1-CB 4.1Å; F211-D235 HydrophobicContact CG-CB 4.24Å
212G98.3Very high97Very high9 Ų940.9 Ų40.99%0.09323%0.233CC..G310 helixtrans-58.6-29.2-174.100000114.3W214 V215 D235G212-W214 PolarHBondContact O-N 2.94Å; G212-V215 PolarHBondContact O-N 3.4Å; G212-V215 VanDerWaalsContact O-N 3.11Å; G212-D235 PolarHBondContact N-OD1 3.28Å
213Q97.9Very high97.1Very high153 Ų15340 Ų4072%0.71523%0.228SC*.G310 helixtrans-62.3-21.5176.262.4177.359.500114.3F211F211-Q213 HydrophobicContact CB-CG 4.13Å; F211-Q213 PolarHBondContact O-N 2.78Å; F211-Q213 VanDerWaalsContact O-N 3.13Å
214W98.5Very high97.2Very high53 Ų5339.7 Ų39.720%0.20123%0.226CC..G310 helixtrans-93.9-14.8178-52.3-36.1000112.7V189 E190 V193 F211 G212 K216V189-W214 HydrophobicContact CB-CE3 4.44Å; V189-W214 HydrophobicContact CB-CZ3 3.9Å; V189-W214 HydrophobicContact CG1-CE3 4.06Å; V189-W214 HydrophobicContact CG1-CZ3 3.87Å; E190-W214 HydrophobicContact CB-CD2 3.76Å; E190-W214 HydrophobicContact CB-CE3 4.1Å; E190-W214 HydrophobicContact CB-CG 4.11Å; E190-W214 HydrophobicContact CB-CH2 4.36Å; E190-W214 HydrophobicContact CB-CZ2 4.02Å; E190-W214 HydrophobicContact CB-CZ3 4.38Å; E190-W214 HydrophobicContact CG-CD2 4.05Å; E190-W214 HydrophobicContact CG-CG 3.91Å; E190-W214 PolarHBondContact OE1-NE1 3.07Å; E190-W214 VanDerWaalsContact OE1-NE1 3.12Å; E190-W214 PolarHBondContact OE2-NE1 3.32Å; V193-W214 HydrophobicContact CG2-CB 3.56Å; F211-W214 HydrophobicContact CB-CD2 4Å; F211-W214 HydrophobicContact CB-CE3 3.94Å; F211-W214 HydrophobicContact CB-CH2 4.37Å; F211-W214 HydrophobicContact CB-CZ2 4.44Å; F211-W214 HydrophobicContact CB-CZ3 4.15Å; F211-W214 HydrophobicContact CD2-CE3 4.08Å; F211-W214 AromaticContact CD2-CH2 3.43Å; F211-W214 HydrophobicContact CD2-CH2 3.43Å; F211-W214 VanDerWaalsContact CD2-CH2 3.43Å; F211-W214 HydrophobicContact CD2-CZ2 4.14Å; F211-W214 AromaticContact CD2-CZ3 3.41Å; F211-W214 HydrophobicContact CD2-CZ3 3.41Å; F211-W214 VanDerWaalsContact CD2-CZ3 3.41Å; F211-W214 HydrophobicContact CE2-CH2 4.03Å; F211-W214 HydrophobicContact CE2-CZ3 4.26Å; F211-W214 HydrophobicContact CG-CE3 4.48Å; F211-W214 HydrophobicContact CG-CH2 4.15Å; F211-W214 HydrophobicContact CG-CZ2 4.46Å; F211-W214 HydrophobicContact CG-CZ3 4.19Å; F211-W214 PolarHBondContact O-N 2.97Å; G212-W214 PolarHBondContact O-N 2.94Å; W214-K216 PolarHBondContact O-N 3.16Å
215V98.6Very high97.3Very high14 Ų1437.6 Ų37.69%0.08520%0.204CC..SBendtrans-79.2125.3-173.9178.50000109.4I199 L210 G212 A219 L238 T285I199-V215 HydrophobicContact CD1-CG1 4.32Å; I199-V215 HydrophobicContact CD1-CG2 4.26Å; L210-V215 HydrophobicContact CD1-CG2 3.85Å; L210-V215 HydrophobicContact CD2-CG2 4.34Å; L210-V215 HydrophobicContact CG-CG2 4.13Å; G212-V215 PolarHBondContact O-N 3.4Å; G212-V215 VanDerWaalsContact O-N 3.11Å; V215-A219 HydrophobicContact CG1-CB 3.81Å; V215-L238 HydrophobicContact CB-CD1 4.35Å; V215-L238 HydrophobicContact CG1-CD1 4.32Å; V215-L238 HydrophobicContact CG2-CD1 4.06Å; V215-L238 HydrophobicContact CG2-CD2 4.17Å; V215-T285 HydrophobicContact CG1-CG2 3.94Å
216K98.3Very high97.2Very high81 Ų8137 Ų3735%0.35220%0.199SC..PPolyproline II helixtrans-55.5130.5173.6178.3-174.6178.21780109.9A196 D197 W214 G218 A219A196-K216 WeakPolarHBondContact O-CB 3.33Å; D197-K216 IonicContact OD1-NZ 2.62Å; D197-K216 PolarHBondContact OD1-NZ 2.79Å; W214-K216 PolarHBondContact O-N 3.16Å; K216-G218 PolarHBondContact O-N 3.44Å; K216-A219 HydrophobicContact CB-CB 4.27Å; K216-A219 WeakPolarHBondContact O-CB 3.3Å; K216-A219 PolarHBondContact O-N 3.1Å
217P98.2Very high96.9Very high115 Ų11536.4 Ų36.475%0.74719%0.194SC*.THydrogen-bonded Turntrans-54.3127.9171.8-2735.4000111.4
218G97.9Very high96.5Very high12 Ų1233.3 Ų33.312%0.12418%0.177CC..THydrogen-bonded Turntrans93.1-11.5-175.900000114.6P131 K216 T285P131-G218 WeakPolarHBondContact CG-O 3.16Å; K216-G218 PolarHBondContact O-N 3.44Å; G218-T285 PolarHBondContact N-OG1 3.04Å
219A98.7Very high96.3Very high0 Ų034.8 Ų34.80%019%0.186CC..  trans-61.7149.9-178.200000112.9A196 D197 V215 K216 T285 T286A196-A219 WeakPolarHBondContact O-CB 3.38Å; D197-A219 VanDerWaalsContact O-CA 3.31Å; D197-A219 WeakPolarHBondContact O-CA 3.23Å; V215-A219 HydrophobicContact CG1-CB 3.81Å; K216-A219 HydrophobicContact CB-CB 4.27Å; K216-A219 WeakPolarHBondContact O-CB 3.3Å; K216-A219 PolarHBondContact O-N 3.1Å; A219-T285 WeakPolarHBondContact O-CA 3.23Å; A219-T286 PolarHBondContact O-N 2.75Å
220H98.9Very high96Very high0 Ų037.6 Ų37.60%020%0.201CC..EExtended strand (participates in β ladder)trans-99.9128170.9178.361000111S125 A126 M130 D197 V198 I199 T286S125-H220 PolarHBondContact OG-NE2 3.39Å; A126-H220 PolarHBondContact N-NE2 3.11Å; M130-H220 HydrophobicContact CB-CB 4.11Å; D197-H220 PolarHBondContact O-N 3.48Å; V198-H220 CarbonylContact C-O 3.52Å; V198-H220 VanDerWaalsContact CA-O 3.32Å; V198-H220 WeakPolarHBondContact CA-O 3.14Å; I199-H220 PolarHBondContact N-O 3.37Å; H220-T286 PolarHBondContact ND1-OG1 3.1Å
221V98.9Very high95.8Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-111.4115.9176.1-174.10000109.7I199 T201 L210 A223 L234 L238 T286 V287 F288I199-V221 HydrophobicContact CB-CG1 4.45Å; I199-V221 HydrophobicContact CB-CG2 4.27Å; I199-V221 HydrophobicContact CD1-CG2 4.31Å; I199-V221 CarbonylContact O-C 3.37Å; I199-V221 VanDerWaalsContact O-CA 3.29Å; I199-V221 WeakPolarHBondContact O-CA 3.36Å; T201-V221 HydrophobicContact CG2-CG1 4.28Å; L210-V221 HydrophobicContact CD2-CG1 3.88Å; L210-V221 HydrophobicContact CD2-CG2 4.26Å; V221-A223 HydrophobicContact CG1-CB 4.45Å; V221-L234 HydrophobicContact CG1-CD2 4.36Å; V221-L238 HydrophobicContact CG2-CD2 4.46Å; V221-T286 PolarHBondContact N-O 2.85Å; V221-V287 HydrophobicContact CB-CG2 4.11Å; V221-V287 HydrophobicContact CG2-CG2 4.44Å; V221-V287 CarbonylContact O-C 2.8Å; V221-V287 WeakPolarHBondContact O-CA 3.33Å; V221-F288 PolarHBondContact O-N 2.91Å
222A98.9Very high95.8Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-91.4100.4166.900000109.3I199 V200 T201I199-A222 PolarHBondContact O-N 3.33Å; V200-A222 WeakPolarHBondContact CA-O 3.22Å; V200-A222 HydrophobicContact CG2-CB 4.34Å; T201-A222 PolarHBondContact N-O 3.18Å
223A98.7Very high95.8Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-97.3111.4-175.900000111.6T201 V221 L234 V287 F288 K289 S290T201-A223 VanDerWaalsContact OG1-CA 3.3Å; T201-A223 WeakPolarHBondContact OG1-CA 3.44Å; V221-A223 HydrophobicContact CG1-CB 4.45Å; A223-L234 HydrophobicContact CB-CD1 3.77Å; A223-L234 HydrophobicContact CB-CG 4.35Å; A223-V287 HydrophobicContact CB-CG1 4.39Å; A223-F288 PolarHBondContact N-O 3.2Å; A223-K289 HydrophobicContact CB-CD 4.13Å; A223-S290 PolarHBondContact O-N 2.91Å
224V98.1Very high95.8Very high18 Ų1828.2 Ų28.211%0.10915%0.154CC..  trans-119.1-29.2-166.9-177.60000112.7T118 S122 T201 V202T118-V224 HydrophobicContact CG2-CG1 3.38Å; S122-V224 WeakPolarHBondContact OG-CG2 3.48Å; T201-V224 WeakPolarHBondContact O-CA 3.45Å; T201-V224 WeakPolarHBondContact O-CB 3.33Å; T201-V224 PolarHBondContact O-N 2.7Å; V202-V224 HydrophobicContact CG1-CB 3.78Å; V202-V224 HydrophobicContact CG1-CG1 4.14Å; V202-V224 HydrophobicContact CG1-CG2 4.14Å
225G91.4Very high95.8Very high11 Ų1126.5 Ų26.511%0.11315%0.149CC..SBendtrans-72.1-168.1173.300000112.1T201 C227 E233 K289T201-G225 PolarHBondContact O-N 3.42Å; G225-C227 PolarHBondContact O-N 3.35Å; G225-E233 WeakPolarHBondContact CA-OE2 3.47Å; G225-E233 PolarHBondContact N-OE2 2.8Å; G225-K289 PolarHBondContact O-NZ 3.35Å
226A88.8Confident95.8Very high3 Ų328.7 Ų28.73%0.02516%0.16CC..  trans47.355.5178.300000113.9R228 W231 E233 K289A226-R228 PolarHBondContact O-N 3.25Å; A226-W231 HydrophobicContact CB-CB 3.97Å; A226-E233 HydrophobicContact CB-CB 4.46Å; A226-E233 HydrophobicContact CB-CG 3.86Å; A226-K289 PolarHBondContact O-NZ 3.21Å
227C84.9Confident95.8Very high30 Ų3027.8 Ų27.820%0.20316%0.161CC..  trans-89.532.917961.60000112.9G225 E255 L291G225-C227 PolarHBondContact O-N 3.35Å; C227-E255 CarbonylContact C-O 3.54Å; C227-L291 HydrophobicContact CB-CD2 3.99Å
228R88.7Confident95.8Very high69 Ų6922.5 Ų22.526%0.2613%0.126SC..SBendtrans-132.1148.2174.9-59.4-134.2-54-152.44.2110.3F57 A226 D230 W231 E255 G257F57-R228 HydrophobicContact CE1-CG 4.5Å; A226-R228 PolarHBondContact O-N 3.25Å; R228-D230 WeakPolarHBondContact CB-OD1 3.48Å; R228-D230 IonicContact CZ-OD1 3.76Å; R228-D230 IonicContact NE-OD1 2.77Å; R228-D230 PolarHBondContact NE-OD1 2.71Å; R228-D230 IonicContact NH2-OD1 3.24Å; R228-D230 IonicContact NH2-OD2 3.95Å; R228-D230 PolarHBondContact NH2-OD2 2.96Å; R228-D230 PolarHBondContact O-N 2.91Å; R228-D230 VanDerWaalsContact O-N 3.1Å; R228-W231 HydrophobicContact CB-CB 4.19Å; R228-W231 HydrophobicContact CB-CD2 4.08Å; R228-W231 HydrophobicContact CB-CG 3.91Å; R228-W231 HydrophobicContact CG-CD2 4.09Å; R228-W231 HydrophobicContact CG-CE3 4.22Å; R228-W231 HydrophobicContact CG-CG 4.45Å; R228-W231 PolarHBondContact O-N 3.26Å; R228-E255 CarbonylContact C-O 3.57Å; R228-E255 WeakPolarHBondContact CA-O 3.29Å; R228-E255 PolarHBondContact N-O 3.45Å; R228-E255 VanDerWaalsContact N-O 3.13Å; R228-G257 PolarHBondContact O-N 3.36Å
229P92.9Very high95.9Very high64 Ų6422 Ų2242%0.41612%0.121SC..THydrogen-bonded Turntrans-65.3-18.9-174.426.2-36000113.1E255 G257 I260P229-E255 VanDerWaalsContact N-O 3.08Å; P229-G257 WeakPolarHBondContact O-CA 3.38Å; P229-I260 HydrophobicContact CB-CD1 3.62Å
230D93.2Very high95.8Very high85 Ų8530 Ų3046%0.45515%0.151SC..THydrogen-bonded Turntrans-97.4-2.6178.263.3-37.8000113.8R228R228-D230 WeakPolarHBondContact CB-OD1 3.48Å; R228-D230 IonicContact CZ-OD1 3.76Å; R228-D230 IonicContact NE-OD1 2.77Å; R228-D230 PolarHBondContact NE-OD1 2.71Å; R228-D230 IonicContact NH2-OD1 3.24Å; R228-D230 IonicContact NH2-OD2 3.95Å; R228-D230 PolarHBondContact NH2-OD2 2.96Å; R228-D230 PolarHBondContact O-N 2.91Å; R228-D230 VanDerWaalsContact O-N 3.1Å
231W94.5Very high95.6Very high15 Ų1537 Ų376%0.05718%0.184CC..  trans-112.1145.9-174-68.48000111.8F78 K80 A226 R228 G257F78-W231 AromaticContact CE1-CH2 3.61Å; F78-W231 HydrophobicContact CE1-CH2 3.61Å; F78-W231 AromaticContact CE1-CZ3 3.87Å; F78-W231 HydrophobicContact CE1-CZ3 3.87Å; F78-W231 AromaticContact CZ-CH2 4Å; F78-W231 HydrophobicContact CZ-CH2 4Å; F78-W231 AromaticContact CZ-CZ3 3.84Å; F78-W231 HydrophobicContact CZ-CZ3 3.84Å; K80-W231 HydrophobicContact CD-CZ2 4.5Å; A226-W231 HydrophobicContact CB-CB 3.97Å; R228-W231 HydrophobicContact CB-CB 4.19Å; R228-W231 HydrophobicContact CB-CD2 4.08Å; R228-W231 HydrophobicContact CB-CG 3.91Å; R228-W231 HydrophobicContact CG-CD2 4.09Å; R228-W231 HydrophobicContact CG-CE3 4.22Å; R228-W231 HydrophobicContact CG-CG 4.45Å; R228-W231 PolarHBondContact O-N 3.26Å; W231-G257 CarbonylContact O-C 3.58Å; W231-G257 WeakPolarHBondContact O-CA 3.49Å
232R97.1Very high95.6Very high22 Ų2237.4 Ų37.48%0.08319%0.187CC..  trans-136.4147.9177-60.4-173.268.7167-3.9112.4S206 E207 P208 L234 D235 D236 D258 L261S206-R232 CarbonylContact C-O 3.56Å; S206-R232 PolarHBondContact O-N 3.31Å; E207-R232 CarbonylContact C-O 3.53Å; E207-R232 PolarHBondContact N-O 2.75Å; P208-R232 HydrophobicContact CG-CB 4.05Å; R232-L234 VanDerWaalsContact CZ-O 3.32Å; R232-L234 PolarHBondContact NE-O 3.02Å; R232-L234 VanDerWaalsContact NE-O 3.07Å; R232-L234 PolarHBondContact NH2-O 3.32Å; R232-D235 PolarHBondContact NH2-O 3.1Å; R232-D236 IonicContact CZ-OD1 2.95Å; R232-D236 IonicContact NH1-OD1 3.96Å; R232-D236 PolarHBondContact NH1-OD1 2.96Å; R232-D236 IonicContact NH2-OD1 2.7Å; R232-D236 PolarHBondContact NH2-OD1 3.29Å; R232-D258 VanDerWaalsContact CA-OD1 3.24Å; R232-D258 WeakPolarHBondContact CA-OD1 3.46Å; R232-D258 WeakPolarHBondContact CB-OD1 3.3Å; R232-D258 IonicContact NE-OD1 2.88Å; R232-L261 HydrophobicContact CG-CD1 3.81Å
233E98.2Very high95.6Very high0 Ų039.1 Ų39.10%020%0.195CC..SBendtrans-113-22.1162.8-70.2-169.3115.700111.7T201 T203 V209 L210 G225 A226 D258T201-E233 VanDerWaalsContact CB-OE2 3.29Å; T201-E233 WeakPolarHBondContact CB-OE2 3.43Å; T201-E233 PolarHBondContact OG1-OE2 3.13Å; T203-E233 VanDerWaalsContact CA-OE1 3.3Å; T203-E233 WeakPolarHBondContact CA-OE1 3.38Å; T203-E233 WeakPolarHBondContact CB-OE1 3.44Å; T203-E233 WeakPolarHBondContact CG2-OE1 3.37Å; T203-E233 PolarHBondContact N-OE1 2.87Å; T203-E233 PolarHBondContact OG1-OE1 3.27Å; V209-E233 HydrophobicContact CG2-CB 4.19Å; V209-E233 WeakPolarHBondContact CG2-O 3.45Å; V209-E233 PolarHBondContact N-O 2.87Å; L210-E233 PolarHBondContact N-O 3.33Å; G225-E233 WeakPolarHBondContact CA-OE2 3.47Å; G225-E233 PolarHBondContact N-OE2 2.8Å; A226-E233 HydrophobicContact CB-CB 4.46Å; A226-E233 HydrophobicContact CB-CG 3.86Å; E233-D258 PolarHBondContact N-OD1 3.24Å
234L98.7Very high95.6Very high0 Ų039.2 Ų39.20%020%0.196CC..BIsolated β-bridgetrans-115.7137.7-171.1-49.8-173.8000110.9T201 L210 V221 A223 R232 L238 M239 D258 V287T201-L234 HydrophobicContact CG2-CD2 4.1Å; L210-L234 HydrophobicContact CB-CD2 3.84Å; L210-L234 HydrophobicContact CD2-CD2 3.82Å; L210-L234 HydrophobicContact CG-CD2 4.22Å; V221-L234 HydrophobicContact CG1-CD2 4.36Å; A223-L234 HydrophobicContact CB-CD1 3.77Å; A223-L234 HydrophobicContact CB-CG 4.35Å; R232-L234 VanDerWaalsContact CZ-O 3.32Å; R232-L234 PolarHBondContact NE-O 3.02Å; R232-L234 VanDerWaalsContact NE-O 3.07Å; R232-L234 PolarHBondContact NH2-O 3.32Å; L234-L238 HydrophobicContact CB-CD2 4.3Å; L234-L238 HydrophobicContact CD1-CD2 4.26Å; L234-L238 HydrophobicContact CD2-CD2 3.97Å; L234-L238 HydrophobicContact CG-CD2 4.41Å; L234-M239 HydrophobicContact CB-CG 3.86Å; L234-M239 HydrophobicContact CB-SD 4.07Å; L234-M239 HydrophobicContact CD1-CG 4.4Å; L234-M239 HydrophobicContact CD1-SD 3.5Å; L234-M239 WeakPolarHBondContact CD1-SD 3.36Å; L234-M239 HydrophobicContact CG-SD 4.4Å; L234-D258 PolarHBondContact N-OD1 3.4Å; L234-V287 HydrophobicContact CD1-CG1 3.74Å; L234-V287 HydrophobicContact CD1-CG2 4.32Å
235D98.7Very high95.6Very high18 Ų1838.4 Ų38.410%0.09619%0.191CC..  trans-76.7171.6178.292.6-57.7000113P208 L210 F211 G212 R232 V237 L238 M239P208-D235 HydrophobicContact CB-CB 4.08Å; L210-D235 PolarHBondContact O-N 3.02Å; L210-D235 VanDerWaalsContact O-N 3.11Å; F211-D235 WeakPolarHBondContact CA-OD1 3.38Å; F211-D235 HydrophobicContact CD1-CB 3.7Å; F211-D235 HydrophobicContact CE1-CB 4.1Å; F211-D235 HydrophobicContact CG-CB 4.24Å; G212-D235 PolarHBondContact N-OD1 3.28Å; R232-D235 PolarHBondContact NH2-O 3.1Å; D235-V237 VanDerWaalsContact C-N 3.34Å; D235-V237 PolarHBondContact O-N 2.97Å; D235-V237 WeakPolarHBondContact OD2-CB 3.32Å; D235-V237 VanDerWaalsContact OD2-CG2 3.32Å; D235-V237 WeakPolarHBondContact OD2-CG2 3.43Å; D235-V237 PolarHBondContact OD2-N 3.21Å; D235-L238 VanDerWaalsContact OD1-CB 3.29Å; D235-L238 WeakPolarHBondContact OD1-CB 3.18Å; D235-L238 PolarHBondContact OD1-N 2.86Å; D235-M239 WeakPolarHBondContact O-CB 3.23Å; D235-M239 WeakPolarHBondContact O-CG 3.48Å; D235-M239 PolarHBondContact O-N 3.14Å
236D98.6Very high96Very high59 Ų5937.9 Ų37.932%0.31619%0.185SC..Hα-helixtrans-66.8-34-179.4-75.5-12.7000113.2R232 R240 S262R232-D236 IonicContact CZ-OD1 2.95Å; R232-D236 IonicContact NH1-OD1 3.96Å; R232-D236 PolarHBondContact NH1-OD1 2.96Å; R232-D236 IonicContact NH2-OD1 2.7Å; R232-D236 PolarHBondContact NH2-OD1 3.29Å; D236-R240 VanDerWaalsContact O-CB 3.29Å; D236-R240 WeakPolarHBondContact O-CB 3.42Å; D236-R240 VanDerWaalsContact O-CG 3.24Å; D236-R240 WeakPolarHBondContact O-CG 3.45Å; D236-R240 PolarHBondContact O-N 3.05Å; D236-S262 WeakPolarHBondContact OD1-CA 3.38Å; D236-S262 WeakPolarHBondContact OD1-CB 3.47Å
237V98.2Very high96.4Very high62 Ų6237.8 Ų37.838%0.37618%0.184SC..Hα-helixtrans-64.6-50-178.4-179.90000109.4D235 M239 R240 Q241D235-V237 VanDerWaalsContact C-N 3.34Å; D235-V237 PolarHBondContact O-N 2.97Å; D235-V237 WeakPolarHBondContact OD2-CB 3.32Å; D235-V237 VanDerWaalsContact OD2-CG2 3.32Å; D235-V237 WeakPolarHBondContact OD2-CG2 3.43Å; D235-V237 PolarHBondContact OD2-N 3.21Å; V237-M239 PolarHBondContact O-N 2.73Å; V237-R240 PolarHBondContact O-N 3.49Å; V237-Q241 HydrophobicContact CG1-CG 4.49Å; V237-Q241 WeakPolarHBondContact O-CB 3.22Å; V237-Q241 VanDerWaalsContact O-CG 3.28Å; V237-Q241 WeakPolarHBondContact O-CG 3.43Å; V237-Q241 PolarHBondContact O-N 3.1Å; V237-Q241 VanDerWaalsContact O-N 3.12Å
238L98.6Very high97Very high4 Ų436.7 Ų36.72%0.02118%0.177CC..Hα-helixtrans-59.8-49.9177.7-178.455.3000111.4L210 V215 V221 L234 D235 R240 Q241 A242 T285 V287L210-L238 HydrophobicContact CD2-CD2 3.82Å; L210-L238 HydrophobicContact CG-CD2 3.89Å; V215-L238 HydrophobicContact CB-CD1 4.35Å; V215-L238 HydrophobicContact CG1-CD1 4.32Å; V215-L238 HydrophobicContact CG2-CD1 4.06Å; V215-L238 HydrophobicContact CG2-CD2 4.17Å; V221-L238 HydrophobicContact CG2-CD2 4.46Å; L234-L238 HydrophobicContact CB-CD2 4.3Å; L234-L238 HydrophobicContact CD1-CD2 4.26Å; L234-L238 HydrophobicContact CD2-CD2 3.97Å; L234-L238 HydrophobicContact CG-CD2 4.41Å; D235-L238 VanDerWaalsContact OD1-CB 3.29Å; D235-L238 WeakPolarHBondContact OD1-CB 3.18Å; D235-L238 PolarHBondContact OD1-N 2.86Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.34Å; L238-Q241 PolarHBondContact O-N 3.49Å; L238-A242 HydrophobicContact CD1-CB 4.32Å; L238-A242 VanDerWaalsContact O-CB 3.24Å; L238-A242 WeakPolarHBondContact O-CB 3.44Å; L238-A242 PolarHBondContact O-N 2.95Å; L238-T285 HydrophobicContact CD1-CG2 4.03Å; L238-V287 HydrophobicContact CD1-CG2 4.25Å; L238-V287 HydrophobicContact CG-CG2 4.13Å
239M98.5Very high97.4Very high2 Ų237 Ų371%0.0118%0.178CC..Hα-helixtrans-65.7-29.7-175.2-74.4-56.8-70.800113.7L234 D235 V237 V244 D258 I259 A264 V287L234-M239 HydrophobicContact CB-CG 3.86Å; L234-M239 HydrophobicContact CB-SD 4.07Å; L234-M239 HydrophobicContact CD1-CG 4.4Å; L234-M239 HydrophobicContact CD1-SD 3.5Å; L234-M239 WeakPolarHBondContact CD1-SD 3.36Å; L234-M239 HydrophobicContact CG-SD 4.4Å; D235-M239 WeakPolarHBondContact O-CB 3.23Å; D235-M239 WeakPolarHBondContact O-CG 3.48Å; D235-M239 PolarHBondContact O-N 3.14Å; V237-M239 PolarHBondContact O-N 2.73Å; M239-V244 HydrophobicContact CE-CG1 4.29Å; M239-V244 HydrophobicContact CE-CG2 4.1Å; M239-D258 HydrophobicContact CE-CB 4.14Å; M239-D258 WeakPolarHBondContact CE-O 3.42Å; M239-D258 HydrophobicContact SD-CB 4.35Å; M239-I259 HydrophobicContact CE-CG1 3.66Å; M239-A264 HydrophobicContact CB-CB 4.11Å; M239-A264 HydrophobicContact CE-CB 3.94Å; M239-A264 VanDerWaalsContact O-CB 3.29Å; M239-A264 WeakPolarHBondContact O-CB 3.28Å; M239-V287 HydrophobicContact SD-CG1 4.09Å
240R96.9Very high97.5Very high169 Ų16939.4 Ų39.464%0.63818%0.184SC*.Hα-helixtrans-85.9-25.8178.4-70.1178-178.2-179.98.2113.9D236 V237 L238 S262D236-R240 VanDerWaalsContact O-CB 3.29Å; D236-R240 WeakPolarHBondContact O-CB 3.42Å; D236-R240 VanDerWaalsContact O-CG 3.24Å; D236-R240 WeakPolarHBondContact O-CG 3.45Å; D236-R240 PolarHBondContact O-N 3.05Å; V237-R240 PolarHBondContact O-N 3.49Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.34Å; R240-S262 PolarHBondContact NE-O 2.85Å; R240-S262 VanDerWaalsContact NE-O 3.14Å; R240-S262 PolarHBondContact NH2-O 2.97Å
241Q96.1Very high97.6Very high146 Ų14635.7 Ų35.768%0.68217%0.165SC*.Hα-helixtrans-94.3-28.9-177.1-68-179.5-2.200113.2V237 L238V237-Q241 HydrophobicContact CG1-CG 4.49Å; V237-Q241 WeakPolarHBondContact O-CB 3.22Å; V237-Q241 VanDerWaalsContact O-CG 3.28Å; V237-Q241 WeakPolarHBondContact O-CG 3.43Å; V237-Q241 PolarHBondContact O-N 3.1Å; V237-Q241 VanDerWaalsContact O-N 3.12Å; L238-Q241 PolarHBondContact O-N 3.49Å
242A98.4Very high97.7Very high9 Ų935 Ų357%0.07416%0.163CC..SBendtrans-77.5154.5179.600000112.5L238 V244 T285 V287L238-A242 HydrophobicContact CD1-CB 4.32Å; L238-A242 VanDerWaalsContact O-CB 3.24Å; L238-A242 WeakPolarHBondContact O-CB 3.44Å; L238-A242 PolarHBondContact O-N 2.95Å; A242-V244 PolarHBondContact O-N 3.37Å; A242-T285 VanDerWaalsContact CA-O 3.32Å; A242-T285 WeakPolarHBondContact CA-O 3.31Å; A242-T285 HydrophobicContact CB-CG2 4.09Å; A242-V287 HydrophobicContact CB-CB 4.27Å; A242-V287 HydrophobicContact CB-CG2 3.58Å
243E98.6Very high97.6Very high36 Ų3638.4 Ų38.417%0.16819%0.186CC..EExtended strand (participates in β ladder)trans-78.3112.3164.9-59.4-66.317100108.7Y245 L281 K284 T285 T286 V287E243-Y245 HydrophobicContact CB-CE2 3.81Å; E243-Y245 VanDerWaalsContact O-CD2 3.3Å; E243-Y245 WeakPolarHBondContact O-CD2 3.45Å; E243-L281 HydrophobicContact CG-CB 4.32Å; E243-L281 HydrophobicContact CG-CD1 3.77Å; E243-K284 HydrophobicContact CG-CB 4.03Å; E243-K284 HydrophobicContact CG-CD 3.55Å; E243-K284 HydrophobicContact CG-CG 4.45Å; E243-K284 WeakPolarHBondContact OE1-CD 3.34Å; E243-K284 WeakPolarHBondContact OE1-CE 3.43Å; E243-K284 IonicContact OE1-NZ 2.66Å; E243-K284 PolarHBondContact OE1-NZ 2.94Å; E243-T285 PolarHBondContact N-O 2.83Å; E243-T286 HydrophobicContact CB-CG2 4.35Å; E243-T286 WeakPolarHBondContact O-CA 3.33Å; E243-V287 PolarHBondContact O-N 3.06Å
244V98.8Very high97.4Very high2 Ų240.8 Ų40.81%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-90.9115.3-173.6-1790000111M239 A242 V246 I259 A264 F267 V287M239-V244 HydrophobicContact CE-CG1 4.29Å; M239-V244 HydrophobicContact CE-CG2 4.1Å; A242-V244 PolarHBondContact O-N 3.37Å; V244-V246 HydrophobicContact CG1-CG1 4.26Å; V244-I259 HydrophobicContact CG1-CD1 4.34Å; V244-A264 HydrophobicContact CG2-CB 4.24Å; V244-F267 WeakPolarHBondContact O-CB 3.29Å; V244-F267 PolarHBondContact O-N 3.34Å; V244-V287 CarbonylContact C-O 3.58Å; V244-V287 WeakPolarHBondContact CA-O 3.46Å
245Y98.9Very high97.2Very high0 Ų041.8 Ų41.80%021%0.21CC..EExtended strand (participates in β ladder)trans-101.9147169.7-59.8-100.3000109.4L129 E243 F267 A268 V273 P279 L281 T286 V287 F288 K289L129-Y245 HydrophobicContact CD1-CD1 4.13Å; L129-Y245 HydrophobicContact CD1-CD2 3.69Å; L129-Y245 HydrophobicContact CD1-CE2 4.2Å; L129-Y245 HydrophobicContact CD1-CG 3.67Å; L129-Y245 HydrophobicContact CD2-CD1 4.12Å; L129-Y245 HydrophobicContact CD2-CD2 4.14Å; L129-Y245 HydrophobicContact CD2-CE1 3.77Å; L129-Y245 HydrophobicContact CD2-CE2 3.81Å; L129-Y245 HydrophobicContact CD2-CG 4.31Å; E243-Y245 HydrophobicContact CB-CE2 3.81Å; E243-Y245 VanDerWaalsContact O-CD2 3.3Å; E243-Y245 WeakPolarHBondContact O-CD2 3.45Å; Y245-F267 HydrophobicContact CD1-CD1 4.44Å; Y245-F267 AromaticContact CE1-CD1 3.7Å; Y245-F267 HydrophobicContact CE1-CD1 3.7Å; Y245-F267 HydrophobicContact CE1-CE1 4.09Å; Y245-F267 HydrophobicContact CE2-CD1 4.4Å; Y245-F267 AromaticContact CZ-CD1 3.67Å; Y245-A268 CarbonylContact C-O 3.48Å; Y245-A268 WeakPolarHBondContact CA-O 3.17Å; Y245-A268 HydrophobicContact CD1-CB 3.73Å; Y245-A268 HydrophobicContact CE1-CB 3.84Å; Y245-V273 HydrophobicContact CD1-CG2 3.7Å; Y245-V273 HydrophobicContact CE1-CG2 3.56Å; Y245-P279 PolarHBondContact OH-O 3.26Å; Y245-L281 PolarHBondContact OH-N 2.97Å; Y245-L281 VanDerWaalsContact OH-N 3.11Å; Y245-T286 HydrophobicContact CE2-CG2 3.84Å; Y245-V287 PolarHBondContact N-O 2.83Å; Y245-F288 CarbonylContact O-C 3.58Å; Y245-F288 VanDerWaalsContact O-CA 3.31Å; Y245-F288 WeakPolarHBondContact O-CA 3.16Å; Y245-K289 PolarHBondContact O-N 2.58Å
246V98.8Very high97.2Very high0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-131.7165178.1-58.80000110.8V244 R249 A252 I259 V266 A268 E269 L270 K289V244-V246 HydrophobicContact CG1-CG1 4.26Å; V246-R249 HydrophobicContact CG2-CG 4.13Å; V246-A252 HydrophobicContact CB-CB 4.12Å; V246-A252 HydrophobicContact CG1-CB 3.76Å; V246-A252 HydrophobicContact CG2-CB 4.36Å; V246-I259 HydrophobicContact CG1-CD1 3.64Å; V246-V266 HydrophobicContact CB-CG1 4.22Å; V246-V266 HydrophobicContact CG1-CB 4.45Å; V246-V266 HydrophobicContact CG1-CG1 3.74Å; V246-V266 HydrophobicContact CG1-CG2 3.85Å; V246-V266 HydrophobicContact CG2-CG1 3.48Å; V246-V266 VanDerWaalsContact CG2-CG1 3.48Å; V246-A268 PolarHBondContact N-O 2.96Å; V246-E269 HydrophobicContact CG2-CG 4.07Å; V246-E269 CarbonylContact O-C 3.56Å; V246-E269 VanDerWaalsContact O-CA 3.28Å; V246-E269 WeakPolarHBondContact O-CA 3.45Å; V246-L270 PolarHBondContact O-N 3.3Å; V246-K289 WeakPolarHBondContact CA-O 3.5Å; V246-K289 HydrophobicContact CG1-CB 4.32Å
247D97.9Very high97.1Very high1 Ų138.1 Ų38.11%0.00519%0.191CC..SBendtrans-76-45168.155-4.8000111.9F288 K289 L291 G292 M293D247-F288 HydrophobicContact CB-CE2 4.2Å; D247-F288 HydrophobicContact CB-CZ 4.18Å; D247-K289 PolarHBondContact N-O 3.47Å; D247-L291 PolarHBondContact OD2-N 2.92Å; D247-G292 PolarHBondContact OD2-N 3.08Å; D247-M293 HydrophobicContact CB-CE 4.02Å; D247-M293 HydrophobicContact CB-CG 4.16Å; D247-M293 HydrophobicContact CB-SD 4.08Å
248S97.1Very high97.1Very high7 Ų735.2 Ų35.25%0.04917%0.173CC..  trans-139132.3172.7170.10000110.8E250 G251 A252S248-E250 PolarHBondContact OG-N 3.43Å; S248-G251 PolarHBondContact OG-N 3.33Å; S248-A252 WeakPolarHBondContact O-CB 3.24Å; S248-A252 PolarHBondContact O-N 3.37Å
249R96.7Very high97.1Very high76 Ų7635.4 Ų35.429%0.28717%0.174SC..Hα-helixtrans-62.2-43.7173.4-75170.9-169.3-77.84.6111.7V246 A252 V253 V266 F267 A268 E269 E272V246-R249 HydrophobicContact CG2-CG 4.13Å; R249-A252 WeakPolarHBondContact O-CB 3.24Å; R249-A252 PolarHBondContact O-N 3.36Å; R249-V253 WeakPolarHBondContact O-CG2 2.97Å; R249-V253 PolarHBondContact O-N 2.9Å; R249-V253 VanDerWaalsContact O-N 3.09Å; R249-V266 HydrophobicContact CG-CG1 4Å; R249-V266 VanDerWaalsContact NH1-CG1 3.33Å; R249-V266 PolarHBondContact NH1-O 3Å; R249-F267 PolarHBondContact NH2-O 3.14Å; R249-A268 VanDerWaalsContact NH2-CA 3.25Å; R249-E269 HydrophobicContact CG-CG 3.71Å; R249-E269 PolarHBondContact N-OE1 2.89Å; R249-E272 IonicContact CZ-OE2 2.96Å; R249-E272 IonicContact NE-OE2 3.41Å; R249-E272 PolarHBondContact NE-OE2 3.22Å; R249-E272 IonicContact NH2-OE1 3.18Å; R249-E272 IonicContact NH2-OE2 3.95Å; R249-E272 PolarHBondContact NH2-OE2 3.19Å
250E94.9Very high97Very high115 Ų11538.7 Ų38.754%0.53719%0.191SC..Hα-helixtrans-65.1-45-178.4-157.7-171.7168.900111.1V45 S248 V253 A254V45-E250 HydrophobicContact CG2-CB 3.99Å; V45-E250 HydrophobicContact CG2-CG 3.43Å; V45-E250 VanDerWaalsContact CG2-CG 3.43Å; V45-E250 WeakPolarHBondContact CG2-OE1 3.45Å; S248-E250 PolarHBondContact OG-N 3.43Å; E250-V253 VanDerWaalsContact O-CG2 3.29Å; E250-V253 WeakPolarHBondContact O-CG2 3.11Å; E250-A254 WeakPolarHBondContact O-CB 3.32Å; E250-A254 PolarHBondContact O-N 3.25Å
251G95.3Very high97.1Very high6 Ų635 Ų356%0.06218%0.183CC..Hα-helixtrans-61.8-45172.800000112S248 V253 A254 E255 L291S248-G251 PolarHBondContact OG-N 3.33Å; G251-V253 PolarHBondContact O-N 3.46Å; G251-A254 PolarHBondContact O-N 3.41Å; G251-A254 VanDerWaalsContact O-N 3.12Å; G251-E255 WeakPolarHBondContact O-CB 3.05Å; G251-E255 PolarHBondContact O-N 2.99Å; G251-L291 WeakPolarHBondContact O-CD1 3.12Å
252A96.4Very high97.1Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-56-46.4-179.400000113.2V246 S248 R249 A254 S256 I259 L291V246-A252 HydrophobicContact CB-CB 4.12Å; V246-A252 HydrophobicContact CG1-CB 3.76Å; V246-A252 HydrophobicContact CG2-CB 4.36Å; S248-A252 WeakPolarHBondContact O-CB 3.24Å; S248-A252 PolarHBondContact O-N 3.37Å; R249-A252 WeakPolarHBondContact O-CB 3.24Å; R249-A252 PolarHBondContact O-N 3.36Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 2.98Å; A252-S256 VanDerWaalsContact O-CB 3.27Å; A252-S256 WeakPolarHBondContact O-CB 3.05Å; A252-S256 PolarHBondContact O-N 3.28Å; A252-I259 HydrophobicContact CB-CD1 3.65Å; A252-L291 VanDerWaalsContact CA-CD1 3.48Å; A252-L291 HydrophobicContact CB-CD1 4.46Å
253V95.8Very high97.1Very high94 Ų9430.4 Ų30.457%0.5718%0.176SC*.Hα-helixtrans-75-20.6-179.9-60.30000113.3R249 E250 G251 I260R249-V253 WeakPolarHBondContact O-CG2 2.97Å; R249-V253 PolarHBondContact O-N 2.9Å; R249-V253 VanDerWaalsContact O-N 3.09Å; E250-V253 VanDerWaalsContact O-CG2 3.29Å; E250-V253 WeakPolarHBondContact O-CG2 3.11Å; G251-V253 PolarHBondContact O-N 3.46Å; V253-I260 WeakPolarHBondContact O-CD1 3.33Å; V253-I260 WeakPolarHBondContact O-CG1 3.42Å
254A94.5Very high97Very high50 Ų5029.4 Ų29.441%0.41317%0.174SC..Hα-helixtrans-90.6-36.4-18000000113.1V45 E250 G251 A252V45-A254 HydrophobicContact CG1-CB 4.21Å; E250-A254 WeakPolarHBondContact O-CB 3.32Å; E250-A254 PolarHBondContact O-N 3.25Å; G251-A254 PolarHBondContact O-N 3.41Å; G251-A254 VanDerWaalsContact O-N 3.12Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 2.98Å
255E94.3Very high96.9Very high22 Ų2238.4 Ų38.410%0.10321%0.213CC..Hα-helixtrans-121.6-19.7-164.6-56.4-176.8113.400114.6R46 C227 R228 P229 G251 G257 L291R46-E255 WeakPolarHBondContact CB-OE1 3.49Å; R46-E255 WeakPolarHBondContact CD-OE1 3.38Å; R46-E255 IonicContact CZ-OE1 2.73Å; R46-E255 IonicContact NE-OE1 3.91Å; R46-E255 IonicContact NH1-OE1 3.49Å; C227-E255 CarbonylContact C-O 3.54Å; R228-E255 CarbonylContact C-O 3.57Å; R228-E255 WeakPolarHBondContact CA-O 3.29Å; R228-E255 PolarHBondContact N-O 3.45Å; R228-E255 VanDerWaalsContact N-O 3.13Å; P229-E255 VanDerWaalsContact N-O 3.08Å; G251-E255 WeakPolarHBondContact O-CB 3.05Å; G251-E255 PolarHBondContact O-N 2.99Å; E255-G257 PolarHBondContact O-N 2.86Å; E255-L291 HydrophobicContact CB-CD1 3.95Å; E255-L291 HydrophobicContact CB-CD2 4.02Å
256S96.9Very high96.9Very high0 Ų039.7 Ų39.70%022%0.221CC..  trans-94.2103-172.8177.40000112.4A252 D258 I259 I260 K289A252-S256 VanDerWaalsContact O-CB 3.27Å; A252-S256 WeakPolarHBondContact O-CB 3.05Å; A252-S256 PolarHBondContact O-N 3.28Å; S256-D258 PolarHBondContact O-N 2.88Å; S256-I259 PolarHBondContact O-N 2.85Å; S256-I259 PolarHBondContact OG-N 3.33Å; S256-I260 WeakPolarHBondContact O-CB 3.36Å; S256-I260 VanDerWaalsContact O-CG1 3.27Å; S256-I260 WeakPolarHBondContact O-CG1 3.34Å; S256-I260 PolarHBondContact O-N 3.45Å; S256-K289 WeakPolarHBondContact OG-CE 3.31Å
257G97.3Very high96.8Very high0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-60.6-32.3172.800000113.2R228 P229 W231 E255 I259 L261R228-G257 PolarHBondContact O-N 3.36Å; P229-G257 WeakPolarHBondContact O-CA 3.38Å; W231-G257 CarbonylContact O-C 3.58Å; W231-G257 WeakPolarHBondContact O-CA 3.49Å; E255-G257 PolarHBondContact O-N 2.86Å; G257-I259 PolarHBondContact O-N 3.04Å; G257-L261 WeakPolarHBondContact O-CB 3.45Å; G257-L261 WeakPolarHBondContact O-CG 3.31Å; G257-L261 PolarHBondContact O-N 3.11Å
258D98.1Very high96.9Very high0 Ų042.4 Ų42.40%023%0.232CC..Hα-helixtrans-58.1-31.6173.4-68.5-55.3000112.6R232 E233 L234 M239 S256 S262 K289R232-D258 VanDerWaalsContact CA-OD1 3.24Å; R232-D258 WeakPolarHBondContact CA-OD1 3.46Å; R232-D258 WeakPolarHBondContact CB-OD1 3.3Å; R232-D258 IonicContact NE-OD1 2.88Å; E233-D258 PolarHBondContact N-OD1 3.24Å; L234-D258 PolarHBondContact N-OD1 3.4Å; M239-D258 HydrophobicContact CE-CB 4.14Å; M239-D258 WeakPolarHBondContact CE-O 3.42Å; M239-D258 HydrophobicContact SD-CB 4.35Å; S256-D258 PolarHBondContact O-N 2.88Å; D258-S262 WeakPolarHBondContact O-CB 3.07Å; D258-S262 PolarHBondContact O-OG 2.82Å; D258-K289 HydrophobicContact CB-CD 4.5Å; D258-K289 IonicContact OD2-NZ 2.8Å; D258-K289 PolarHBondContact OD2-NZ 3.4Å
259I98Very high96.9Very high8 Ų843.1 Ų43.14%0.04124%0.235CC..Hα-helixtrans-91.1-49.2179.9-68.4172.5000110.3M239 V244 V246 A252 S256 G257 L261 S262 G263 V266 K289M239-I259 HydrophobicContact CE-CG1 3.66Å; V244-I259 HydrophobicContact CG1-CD1 4.34Å; V246-I259 HydrophobicContact CG1-CD1 3.64Å; A252-I259 HydrophobicContact CB-CD1 3.65Å; S256-I259 PolarHBondContact O-N 2.85Å; S256-I259 PolarHBondContact OG-N 3.33Å; G257-I259 PolarHBondContact O-N 3.04Å; I259-L261 PolarHBondContact O-N 3.42Å; I259-S262 PolarHBondContact O-OG 2.91Å; I259-G263 PolarHBondContact O-N 3.17Å; I259-V266 HydrophobicContact CD1-CG2 4.24Å; I259-V266 HydrophobicContact CG2-CG2 4.37Å; I259-K289 HydrophobicContact CD1-CB 4.07Å; I259-K289 HydrophobicContact CD1-CG 3.98Å
260I97.8Very high97Very high72 Ų7239.5 Ų39.537%0.36922%0.221SC..Hα-helixtrans-60.6-47.8-176.4-65.6163.8000110.8P229 V253 S256P229-I260 HydrophobicContact CB-CD1 3.62Å; V253-I260 WeakPolarHBondContact O-CD1 3.33Å; V253-I260 WeakPolarHBondContact O-CG1 3.42Å; S256-I260 WeakPolarHBondContact O-CB 3.36Å; S256-I260 VanDerWaalsContact O-CG1 3.27Å; S256-I260 WeakPolarHBondContact O-CG1 3.34Å; S256-I260 PolarHBondContact O-N 3.45Å
261L97.9Very high97.1Very high90 Ų9034 Ų3447%0.47120%0.196SC..THydrogen-bonded Turntrans-81.4-29-173-58.6173000112.6R232 G257 I259R232-L261 HydrophobicContact CG-CD1 3.81Å; G257-L261 WeakPolarHBondContact O-CB 3.45Å; G257-L261 WeakPolarHBondContact O-CG 3.31Å; G257-L261 PolarHBondContact O-N 3.11Å; I259-L261 PolarHBondContact O-N 3.42Å
262S97.6Very high97.3Very high2 Ų235 Ų351%0.01420%0.199CC..THydrogen-bonded Turntrans-79.7-24.1176.767.90000113.5D236 R240 D258 I259 A264D236-S262 WeakPolarHBondContact OD1-CA 3.38Å; D236-S262 WeakPolarHBondContact OD1-CB 3.47Å; R240-S262 PolarHBondContact NE-O 2.85Å; R240-S262 VanDerWaalsContact NE-O 3.14Å; R240-S262 PolarHBondContact NH2-O 2.97Å; D258-S262 WeakPolarHBondContact O-CB 3.07Å; D258-S262 PolarHBondContact O-OG 2.82Å; I259-S262 PolarHBondContact O-OG 2.91Å; S262-A264 VanDerWaalsContact C-N 3.26Å; S262-A264 VanDerWaalsContact OG-CB 3.29Å; S262-A264 WeakPolarHBondContact OG-CB 3.46Å; S262-A264 PolarHBondContact OG-N 3.39Å; S262-A264 VanDerWaalsContact OG-N 3.14Å
263G97.2Very high97.4Very high58 Ų5835.5 Ų35.560%0.59820%0.202SC*.THydrogen-bonded Turntrans71.319.2-170.200000113.4I259I259-G263 PolarHBondContact O-N 3.17Å
264A96.9Very high97.5Very high14 Ų1433.3 Ų33.312%0.11619%0.187CC..PPolyproline II helixtrans-62.4139.7-178.800000111.8M239 V244 S262M239-A264 HydrophobicContact CB-CB 4.11Å; M239-A264 HydrophobicContact CE-CB 3.94Å; M239-A264 VanDerWaalsContact O-CB 3.29Å; M239-A264 WeakPolarHBondContact O-CB 3.28Å; V244-A264 HydrophobicContact CG2-CB 4.24Å; S262-A264 VanDerWaalsContact C-N 3.26Å; S262-A264 VanDerWaalsContact OG-CB 3.29Å; S262-A264 WeakPolarHBondContact OG-CB 3.46Å; S262-A264 PolarHBondContact OG-N 3.39Å; S262-A264 VanDerWaalsContact OG-N 3.14Å
265K96.6Very high97.6Very high192 Ų19234 Ų3484%0.83518%0.184SC*.PPolyproline II helixtrans-86.2125.6176.5-67-176.7-179.5179.30109.5F267K265-F267 PolarHBondContact O-N 3.03Å
266V98.1Very high97.7Very high27 Ų2736 Ų3616%0.16421%0.211CC..EExtended strand (participates in β ladder)trans-70.8116.7172.8-179.20000109.5V246 R249 I259V246-V266 HydrophobicContact CB-CG1 4.22Å; V246-V266 HydrophobicContact CG1-CB 4.45Å; V246-V266 HydrophobicContact CG1-CG1 3.74Å; V246-V266 HydrophobicContact CG1-CG2 3.85Å; V246-V266 HydrophobicContact CG2-CG1 3.48Å; V246-V266 VanDerWaalsContact CG2-CG1 3.48Å; R249-V266 HydrophobicContact CG-CG1 4Å; R249-V266 VanDerWaalsContact NH1-CG1 3.33Å; R249-V266 PolarHBondContact NH1-O 3Å; I259-V266 HydrophobicContact CD1-CG2 4.24Å; I259-V266 HydrophobicContact CG2-CG2 4.37Å
267F98.4Very high97.7Very high57 Ų5740.6 Ų40.625%0.2524%0.239CC..EExtended strand (participates in β ladder)trans-72.1-57.1178179.8-100.3000111.4V244 Y245 R249 K265 P279 L281V244-F267 WeakPolarHBondContact O-CB 3.29Å; V244-F267 PolarHBondContact O-N 3.34Å; Y245-F267 HydrophobicContact CD1-CD1 4.44Å; Y245-F267 AromaticContact CE1-CD1 3.7Å; Y245-F267 HydrophobicContact CE1-CD1 3.7Å; Y245-F267 HydrophobicContact CE1-CE1 4.09Å; Y245-F267 HydrophobicContact CE2-CD1 4.4Å; Y245-F267 AromaticContact CZ-CD1 3.67Å; R249-F267 PolarHBondContact NH2-O 3.14Å; K265-F267 PolarHBondContact O-N 3.03Å; F267-P279 HydrophobicContact CE1-CG 4.21Å; F267-P279 HydrophobicContact CZ-CG 3.93Å; F267-L281 HydrophobicContact CE1-CD1 4Å; F267-L281 HydrophobicContact CE1-CG 4.31Å; F267-L281 HydrophobicContact CE2-CD1 4Å; F267-L281 HydrophobicContact CZ-CD1 3.64Å; F267-L281 HydrophobicContact CZ-CG 4.24Å
268A98.3Very high97.7Very high0 Ų045.9 Ų45.90%026%0.259CS..EExtended strand (participates in β ladder)trans-146.5151.9-176.300000112.1Y245 V246 R249 E272 V273 R278Y245-A268 CarbonylContact C-O 3.48Å; Y245-A268 WeakPolarHBondContact CA-O 3.17Å; Y245-A268 HydrophobicContact CD1-CB 3.73Å; Y245-A268 HydrophobicContact CE1-CB 3.84Å; V246-A268 PolarHBondContact N-O 2.96Å; R249-A268 VanDerWaalsContact NH2-CA 3.25Å; A268-E272 WeakPolarHBondContact CA-OE2 3.42Å; A268-V273 HydrophobicContact CB-CG2 4.17Å; A268-R278 HydrophobicContact CB-CB 3.73Å; A268-R278 HydrophobicContact CB-CG 3.79Å
269E98.4Very high97.7Very high22 Ų2249.3 Ų49.310%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-76.7150.2156.8-60.5-174.2157.500109.9S34 V246 R249 G271 E272 V273S34-E269 VanDerWaalsContact CB-OE2 3.31Å; S34-E269 WeakPolarHBondContact CB-OE2 3.31Å; S34-E269 VanDerWaalsContact OG-CB 3.32Å; S34-E269 WeakPolarHBondContact OG-CB 3.49Å; S34-E269 PolarHBondContact OG-OE2 3.12Å; V246-E269 HydrophobicContact CG2-CG 4.07Å; V246-E269 CarbonylContact O-C 3.56Å; V246-E269 VanDerWaalsContact O-CA 3.28Å; V246-E269 WeakPolarHBondContact O-CA 3.45Å; R249-E269 HydrophobicContact CG-CG 3.71Å; R249-E269 PolarHBondContact N-OE1 2.89Å; E269-G271 PolarHBondContact O-N 3.28Å; E269-E272 HydrophobicContact CB-CG 4.17Å; E269-E272 PolarHBondContact N-OE2 3.41Å; E269-E272 WeakPolarHBondContact O-CB 3.41Å; E269-E272 PolarHBondContact O-N 3.34Å; E269-V273 PolarHBondContact O-N 3.03Å
270L98.3Very high97.7Very high0 Ų050.8 Ų50.80%029%0.294CS..Hα-helixtrans-61.9-33.2179.9-166.862.2000112L30 V121 I124 L128 L129 V246 E272 V273 L274 F288L30-L270 HydrophobicContact CD1-CD2 4.11Å; V121-L270 HydrophobicContact CG1-CD2 4.11Å; I124-L270 HydrophobicContact CG2-CD2 4.11Å; L128-L270 HydrophobicContact CD1-CD1 3.74Å; L128-L270 HydrophobicContact CD1-CG 4.25Å; L129-L270 HydrophobicContact CD1-CD1 4.27Å; V246-L270 PolarHBondContact O-N 3.3Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.33Å; L270-V273 PolarHBondContact O-N 3.41Å; L270-L274 PolarHBondContact O-N 2.94Å; L270-F288 HydrophobicContact CB-CE2 4.04Å; L270-F288 HydrophobicContact CD2-CD2 4.31Å; L270-F288 HydrophobicContact CD2-CE1 4.48Å; L270-F288 HydrophobicContact CD2-CE2 3.8Å; L270-F288 HydrophobicContact CD2-CZ 3.9Å; L270-F288 HydrophobicContact CG-CE2 4.42Å
271G97.9Very high97.7Very high1 Ų149.6 Ų49.61%0.0129%0.288CS..Hα-helixtrans-64.2-34.2173.900000113.8L30 S34 E269 V273 L274 N275L30-G271 WeakPolarHBondContact O-CA 3.37Å; S34-G271 WeakPolarHBondContact OG-CA 3.44Å; E269-G271 PolarHBondContact O-N 3.28Å; G271-V273 VanDerWaalsContact C-N 3.28Å; G271-V273 PolarHBondContact O-N 3.29Å; G271-L274 PolarHBondContact O-N 3.13Å; G271-N275 WeakPolarHBondContact O-CB 3.47Å; G271-N275 PolarHBondContact O-N 3.2Å; G271-N275 PolarHBondContact O-ND2 3.27Å
272E98.1Very high97.7Very high25 Ų2550 Ų5012%0.11728%0.284CS..Hα-helixtrans-64.2-36.2174.4-64.4179.489.700111.3R249 A268 E269 L270 G276 T277 R278R249-E272 IonicContact CZ-OE2 2.96Å; R249-E272 IonicContact NE-OE2 3.41Å; R249-E272 PolarHBondContact NE-OE2 3.22Å; R249-E272 IonicContact NH2-OE1 3.18Å; R249-E272 IonicContact NH2-OE2 3.95Å; R249-E272 PolarHBondContact NH2-OE2 3.19Å; A268-E272 WeakPolarHBondContact CA-OE2 3.42Å; E269-E272 HydrophobicContact CB-CG 4.17Å; E269-E272 PolarHBondContact N-OE2 3.41Å; E269-E272 WeakPolarHBondContact O-CB 3.41Å; E269-E272 PolarHBondContact O-N 3.34Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.33Å; E272-G276 PolarHBondContact O-N 3.48Å; E272-T277 WeakPolarHBondContact CA-OG1 3.4Å; E272-T277 WeakPolarHBondContact CB-OG1 3.28Å; E272-T277 PolarHBondContact O-N 2.83Å; E272-T277 PolarHBondContact O-OG1 2.93Å; E272-R278 HydrophobicContact CB-CB 3.85Å; E272-R278 HydrophobicContact CB-CG 3.52Å; E272-R278 HydrophobicContact CG-CG 4.17Å; E272-R278 PolarHBondContact O-N 3.1Å; E272-R278 VanDerWaalsContact O-N 3.13Å; E272-R278 WeakPolarHBondContact OE1-CG 3.46Å; E272-R278 IonicContact OE1-NE 2.75Å; E272-R278 PolarHBondContact OE1-NE 3.44Å
273V98.4Very high97.6Very high12 Ų1258.3 Ų58.37%0.07332%0.322CS..Hα-helixtrans-69.5-43.4175.8-1760000111L128 Y245 A268 E269 L270 G271 N275 G276 R278 A280L128-V273 HydrophobicContact CB-CG1 4.4Å; L128-V273 HydrophobicContact CD1-CG1 4.26Å; L128-V273 HydrophobicContact CD2-CG1 4.43Å; Y245-V273 HydrophobicContact CD1-CG2 3.7Å; Y245-V273 HydrophobicContact CE1-CG2 3.56Å; A268-V273 HydrophobicContact CB-CG2 4.17Å; E269-V273 PolarHBondContact O-N 3.03Å; L270-V273 PolarHBondContact O-N 3.41Å; G271-V273 VanDerWaalsContact C-N 3.28Å; G271-V273 PolarHBondContact O-N 3.29Å; V273-N275 VanDerWaalsContact C-N 3.28Å; V273-N275 PolarHBondContact O-N 3.12Å; V273-G276 PolarHBondContact O-N 3.24Å; V273-G276 VanDerWaalsContact O-N 3.07Å; V273-R278 WeakPolarHBondContact CA-O 3.5Å; V273-R278 HydrophobicContact CG2-CB 4.35Å; V273-A280 HydrophobicContact CG1-CB 3.84Å
274L98Very high97.6Very high48 Ų4860.5 Ų60.525%0.25132%0.315SS..Hα-helixtrans-59.5-38.4175.3-76.1162.1000112.4E27 L30 I124 L128 L270 G271 G276E27-L274 HydrophobicContact CB-CD1 4.47Å; E27-L274 HydrophobicContact CB-CD2 4.07Å; E27-L274 HydrophobicContact CG-CD2 3.96Å; L30-L274 HydrophobicContact CB-CD1 3.61Å; L30-L274 HydrophobicContact CD1-CD1 4Å; L30-L274 HydrophobicContact CG-CD1 4.47Å; I124-L274 HydrophobicContact CG2-CD1 4.27Å; I124-L274 HydrophobicContact CG2-CD2 4.24Å; L128-L274 HydrophobicContact CD1-CD2 3.75Å; L128-L274 HydrophobicContact CD1-CG 3.76Å; L128-L274 HydrophobicContact CD2-CD2 4.44Å; L270-L274 PolarHBondContact O-N 2.94Å; G271-L274 PolarHBondContact O-N 3.13Å; L274-G276 VanDerWaalsContact C-N 3.26Å; L274-G276 PolarHBondContact O-N 2.9Å
275N96.7Very high97.7Very high64 Ų6461.3 Ų61.334%0.34232%0.318SS..THydrogen-bonded Turntrans-77.5-9.1177.4-68.2-26.3000113.6G31 G271 V273 T277G31-N275 WeakPolarHBondContact CA-OD1 3.16Å; G31-N275 PolarHBondContact O-ND2 3.17Å; G271-N275 WeakPolarHBondContact O-CB 3.47Å; G271-N275 PolarHBondContact O-N 3.2Å; G271-N275 PolarHBondContact O-ND2 3.27Å; V273-N275 VanDerWaalsContact C-N 3.28Å; V273-N275 PolarHBondContact O-N 3.12Å; N275-T277 HydrophobicContact CB-CG2 4.16Å; N275-T277 PolarHBondContact O-N 3.24Å
276G97Very high97.8Very high65 Ų6552.1 Ų52.167%0.6728%0.279SS*.THydrogen-bonded Turntrans71.611.7-17400000114.5E272 V273 L274E272-G276 PolarHBondContact O-N 3.48Å; V273-G276 PolarHBondContact O-N 3.24Å; V273-G276 VanDerWaalsContact O-N 3.07Å; L274-G276 VanDerWaalsContact C-N 3.26Å; L274-G276 PolarHBondContact O-N 2.9Å
277T96.8Very high97.8Very high96 Ų9650.9 Ų50.959%0.58927%0.271SS*.SBendtrans-81.6-19176.558.10000112.2E272 N275E272-T277 WeakPolarHBondContact CA-OG1 3.4Å; E272-T277 WeakPolarHBondContact CB-OG1 3.28Å; E272-T277 PolarHBondContact O-N 2.83Å; E272-T277 PolarHBondContact O-OG1 2.93Å; N275-T277 HydrophobicContact CB-CG2 4.16Å; N275-T277 PolarHBondContact O-N 3.24Å
278R97.8Very high97.9Very high111 Ų11148.1 Ų48.142%0.41926%0.259SS..SBendtrans-127.2143.6169.3-67.7-68.3-177.8-178.1-1.2110.9A268 E272 V273A268-R278 HydrophobicContact CB-CB 3.73Å; A268-R278 HydrophobicContact CB-CG 3.79Å; E272-R278 HydrophobicContact CB-CB 3.85Å; E272-R278 HydrophobicContact CB-CG 3.52Å; E272-R278 HydrophobicContact CG-CG 4.17Å; E272-R278 PolarHBondContact O-N 3.1Å; E272-R278 VanDerWaalsContact O-N 3.13Å; E272-R278 WeakPolarHBondContact OE1-CG 3.46Å; E272-R278 IonicContact OE1-NE 2.75Å; E272-R278 PolarHBondContact OE1-NE 3.44Å; V273-R278 WeakPolarHBondContact CA-O 3.5Å; V273-R278 HydrophobicContact CG2-CB 4.35Å
279P98.2Very high97.9Very high71 Ų7148.1 Ų48.146%0.46126%0.259SS..  trans-76.2151.4-179.832.4-35.3000111.6Y245 F267 L281Y245-P279 PolarHBondContact OH-O 3.26Å; F267-P279 HydrophobicContact CE1-CG 4.21Å; F267-P279 HydrophobicContact CZ-CG 3.93Å; P279-L281 HydrophobicContact CB-CD2 4.27Å; P279-L281 HydrophobicContact CG-CD2 4.14Å
280A98.1Very high97.9Very high39 Ų3947.1 Ų47.132%0.32225%0.254SS..  trans-88.4110.8165.800000110.3L128 L129 V273 R282L128-A280 VanDerWaalsContact O-CB 3.28Å; L128-A280 WeakPolarHBondContact O-CB 3.44Å; L129-A280 HydrophobicContact CD2-CB 4Å; V273-A280 HydrophobicContact CG1-CB 3.84Å; A280-R282 VanDerWaalsContact C-N 3.33Å; A280-R282 HydrophobicContact CB-CG 4.37Å; A280-R282 PolarHBondContact O-N 2.8Å; A280-R282 VanDerWaalsContact O-N 3.12Å
281L97.9Very high97.8Very high47 Ų4747.7 Ų47.725%0.24626%0.257CS..  trans-88.960.5-177.2-58.7-179.6000112.7E243 Y245 F267 P279 E283 K284 T286E243-L281 HydrophobicContact CG-CB 4.32Å; E243-L281 HydrophobicContact CG-CD1 3.77Å; Y245-L281 PolarHBondContact OH-N 2.97Å; Y245-L281 VanDerWaalsContact OH-N 3.11Å; F267-L281 HydrophobicContact CE1-CD1 4Å; F267-L281 HydrophobicContact CE1-CG 4.31Å; F267-L281 HydrophobicContact CE2-CD1 4Å; F267-L281 HydrophobicContact CZ-CD1 3.64Å; F267-L281 HydrophobicContact CZ-CG 4.24Å; P279-L281 HydrophobicContact CB-CD2 4.27Å; P279-L281 HydrophobicContact CG-CD2 4.14Å; L281-E283 PolarHBondContact O-N 3.13Å; L281-E283 VanDerWaalsContact O-N 3.13Å; L281-K284 HydrophobicContact CB-CD 4.46Å; L281-K284 HydrophobicContact CD1-CD 4.31Å; L281-K284 PolarHBondContact O-N 2.87Å; L281-T286 WeakPolarHBondContact O-CG2 3.04Å
282R96.3Very high97.7Very high100 Ų10047.9 Ų47.938%0.37726%0.259SS..THydrogen-bonded Turntrans-60.8-20.2-174.1-61.5-178.4-179.4-161-7.8116K127 L128 A280 K284K127-R282 PolarHBondContact O-NH2 2.86Å; L128-R282 WeakPolarHBondContact O-CG 3.49Å; L128-R282 VanDerWaalsContact O-CZ 3.3Å; L128-R282 PolarHBondContact O-NE 2.83Å; L128-R282 PolarHBondContact O-NH2 2.92Å; L128-R282 VanDerWaalsContact O-NH2 3.1Å; A280-R282 VanDerWaalsContact C-N 3.33Å; A280-R282 HydrophobicContact CB-CG 4.37Å; A280-R282 PolarHBondContact O-N 2.8Å; A280-R282 VanDerWaalsContact O-N 3.12Å; R282-K284 VanDerWaalsContact C-N 3.31Å
283E95.5Very high97.6Very high175 Ų17547 Ų4782%0.81826%0.255SS*.THydrogen-bonded Turntrans-83.4-10.4178.9-58.5-65173.200112.6L281L281-E283 PolarHBondContact O-N 3.13Å; L281-E283 VanDerWaalsContact O-N 3.13Å
284K98.1Very high97.6Very high105 Ų10546.5 Ų46.546%0.45725%0.253SS..SBendtrans-102.2159.9176.6-64.5-169.5177.7-1670110.2E243 L281 R282 T286E243-K284 HydrophobicContact CG-CB 4.03Å; E243-K284 HydrophobicContact CG-CD 3.55Å; E243-K284 HydrophobicContact CG-CG 4.45Å; E243-K284 WeakPolarHBondContact OE1-CD 3.34Å; E243-K284 WeakPolarHBondContact OE1-CE 3.43Å; E243-K284 IonicContact OE1-NZ 2.66Å; E243-K284 PolarHBondContact OE1-NZ 2.94Å; L281-K284 HydrophobicContact CB-CD 4.46Å; L281-K284 HydrophobicContact CD1-CD 4.31Å; L281-K284 PolarHBondContact O-N 2.87Å; R282-K284 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 2.77Å
285T98.8Very high97.5Very high30 Ų3044.2 Ų44.218%0.18424%0.241CC..  trans-62.1125.8165.2-56.20000108.5V215 G218 A219 L238 A242 E243V215-T285 HydrophobicContact CG1-CG2 3.94Å; G218-T285 PolarHBondContact N-OG1 3.04Å; A219-T285 WeakPolarHBondContact O-CA 3.23Å; L238-T285 HydrophobicContact CD1-CG2 4.03Å; A242-T285 VanDerWaalsContact CA-O 3.32Å; A242-T285 WeakPolarHBondContact CA-O 3.31Å; A242-T285 HydrophobicContact CB-CG2 4.09Å; E243-T285 PolarHBondContact N-O 2.83Å
286T98.9Very high97.6Very high0 Ų041.2 Ų41.20%023%0.225CC..EExtended strand (participates in β ladder)trans-120.3141.8-178.257.90000110.5L129 A219 H220 V221 E243 Y245 L281 K284L129-T286 HydrophobicContact CB-CG2 4.5Å; A219-T286 PolarHBondContact O-N 2.75Å; H220-T286 PolarHBondContact ND1-OG1 3.1Å; V221-T286 PolarHBondContact N-O 2.85Å; E243-T286 HydrophobicContact CB-CG2 4.35Å; E243-T286 WeakPolarHBondContact O-CA 3.33Å; Y245-T286 HydrophobicContact CE2-CG2 3.84Å; L281-T286 WeakPolarHBondContact O-CG2 3.04Å; K284-T286 PolarHBondContact O-N 2.77Å
287V98.9Very high97.7Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-119123171.2170.40000107.4V221 A223 L234 L238 M239 A242 E243 V244 Y245V221-V287 HydrophobicContact CB-CG2 4.11Å; V221-V287 HydrophobicContact CG2-CG2 4.44Å; V221-V287 CarbonylContact O-C 2.8Å; V221-V287 WeakPolarHBondContact O-CA 3.33Å; A223-V287 HydrophobicContact CB-CG1 4.39Å; L234-V287 HydrophobicContact CD1-CG1 3.74Å; L234-V287 HydrophobicContact CD1-CG2 4.32Å; L238-V287 HydrophobicContact CD1-CG2 4.25Å; L238-V287 HydrophobicContact CG-CG2 4.13Å; M239-V287 HydrophobicContact SD-CG1 4.09Å; A242-V287 HydrophobicContact CB-CB 4.27Å; A242-V287 HydrophobicContact CB-CG2 3.58Å; E243-V287 PolarHBondContact O-N 3.06Å; V244-V287 CarbonylContact C-O 3.58Å; V244-V287 WeakPolarHBondContact CA-O 3.46Å; Y245-V287 PolarHBondContact N-O 2.83Å
288F98.9Very high97.8Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-99.6110.2164169.6-116.7000108.9V121 S125 L129 V221 A223 Y245 D247 L270V121-F288 HydrophobicContact CG1-CE1 3.86Å; V121-F288 HydrophobicContact CG1-CZ 3.57Å; S125-F288 VanDerWaalsContact CB-CG 3.41Å; S125-F288 WeakPolarHBondContact OG-CD1 3.46Å; L129-F288 HydrophobicContact CD1-CB 4.47Å; V221-F288 PolarHBondContact O-N 2.91Å; A223-F288 PolarHBondContact N-O 3.2Å; Y245-F288 CarbonylContact O-C 3.58Å; Y245-F288 VanDerWaalsContact O-CA 3.31Å; Y245-F288 WeakPolarHBondContact O-CA 3.16Å; D247-F288 HydrophobicContact CB-CE2 4.2Å; D247-F288 HydrophobicContact CB-CZ 4.18Å; L270-F288 HydrophobicContact CB-CE2 4.04Å; L270-F288 HydrophobicContact CD2-CD2 4.31Å; L270-F288 HydrophobicContact CD2-CE1 4.48Å; L270-F288 HydrophobicContact CD2-CE2 3.8Å; L270-F288 HydrophobicContact CD2-CZ 3.9Å; L270-F288 HydrophobicContact CG-CE2 4.42Å
289K98.8Very high97.8Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-90.4116.3173.6-178.469.2-170.3-1710109.8A223 G225 A226 Y245 V246 D247 S256 D258 I259A223-K289 HydrophobicContact CB-CD 4.13Å; G225-K289 PolarHBondContact O-NZ 3.35Å; A226-K289 PolarHBondContact O-NZ 3.21Å; Y245-K289 PolarHBondContact O-N 2.58Å; V246-K289 WeakPolarHBondContact CA-O 3.5Å; V246-K289 HydrophobicContact CG1-CB 4.32Å; D247-K289 PolarHBondContact N-O 3.47Å; S256-K289 WeakPolarHBondContact OG-CE 3.31Å; D258-K289 HydrophobicContact CB-CD 4.5Å; D258-K289 IonicContact OD2-NZ 2.8Å; D258-K289 PolarHBondContact OD2-NZ 3.4Å; I259-K289 HydrophobicContact CD1-CB 4.07Å; I259-K289 HydrophobicContact CD1-CG 3.98Å
290S98.3Very high97.8Very high1 Ų125.3 Ų25.31%0.00713%0.126CC..  trans-105.7124.1-179.9-172.50000110.3A223A223-S290 PolarHBondContact O-N 2.91Å
291L96.3Very high97.8Very high12 Ų1223.5 Ų23.56%0.06311%0.11CC..  trans-110-23.3174.9-70.5170000112.1R46 C227 D247 G251 A252 E255R46-L291 PolarHBondContact NH2-O 3.22Å; C227-L291 HydrophobicContact CB-CD2 3.99Å; D247-L291 PolarHBondContact OD2-N 2.92Å; G251-L291 WeakPolarHBondContact O-CD1 3.12Å; A252-L291 VanDerWaalsContact CA-CD1 3.48Å; A252-L291 HydrophobicContact CB-CD1 4.46Å; E255-L291 HydrophobicContact CB-CD1 3.95Å; E255-L291 HydrophobicContact CB-CD2 4.02Å
292G95.8Very high97.9Very high5 Ų523.8 Ų23.85%0.05211%0.11CC..  trans88.1130.8-176.900000112.4R46 M61 D247R46-G292 PolarHBondContact NH2-O 3.32Å; M61-G292 WeakPolarHBondContact CE-O 3.42Å; D247-G292 PolarHBondContact OD2-N 3.08Å
293M96.8Very high98Very high5 Ų519.1 Ų19.13%0.0259%0.092CC..  trans-117.3143.4-174.8-60.7-165.4-65.800111L30 F33 M61 D247 I295 Q296L30-M293 HydrophobicContact CD2-CE 3.21Å; F33-M293 HydrophobicContact CD1-CE 4.19Å; F33-M293 HydrophobicContact CD1-SD 3.93Å; F33-M293 HydrophobicContact CE1-SD 3.79Å; F33-M293 HydrophobicContact CE2-SD 4.47Å; F33-M293 HydrophobicContact CG-CE 4.46Å; F33-M293 HydrophobicContact CG-SD 4.35Å; F33-M293 HydrophobicContact CZ-SD 4.08Å; M61-M293 VanDerWaalsContact CE-C 3.41Å; D247-M293 HydrophobicContact CB-CE 4.02Å; D247-M293 HydrophobicContact CB-CG 4.16Å; D247-M293 HydrophobicContact CB-SD 4.08Å; M293-I295 HydrophobicContact CB-CG1 3.82Å; M293-I295 HydrophobicContact CE-CD1 3.76Å; M293-I295 HydrophobicContact CE-CG1 4.03Å; M293-I295 PolarHBondContact O-N 3.2Å; M293-Q296 HydrophobicContact CB-CG 4.08Å; M293-Q296 HydrophobicContact CE-CG 4.42Å; M293-Q296 WeakPolarHBondContact O-CB 3.42Å; M293-Q296 PolarHBondContact O-N 2.73Å
294G97.3Very high98.1Very high3 Ų310.8 Ų10.83%0.0315%0.054CC..Hα-helixtrans-56.9-32.9178.500000112.9A63 Q296 D297 A298A63-G294 VanDerWaalsContact CB-C 3.46Å; G294-Q296 VanDerWaalsContact C-N 3.26Å; G294-Q296 PolarHBondContact O-N 2.77Å; G294-D297 WeakPolarHBondContact O-CB 3.4Å; G294-D297 PolarHBondContact O-N 2.91Å; G294-D297 VanDerWaalsContact O-N 3.14Å; G294-A298 WeakPolarHBondContact O-CB 3.39Å; G294-A298 PolarHBondContact O-N 3.4Å
295I97.2Very high98.1Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-62.6-32.3176.456.2143.7000113.1A29 F33 V41 Q43 A63 L65 M293 D297 A298 V299A29-I295 HydrophobicContact CB-CD1 4.18Å; A29-I295 WeakPolarHBondContact O-CD1 3.28Å; F33-I295 HydrophobicContact CB-CD1 3.6Å; F33-I295 HydrophobicContact CD2-CD1 4.36Å; F33-I295 HydrophobicContact CG-CD1 4.09Å; V41-I295 HydrophobicContact CG1-CG2 3.4Å; V41-I295 VanDerWaalsContact CG1-CG2 3.4Å; Q43-I295 HydrophobicContact CB-CG2 4.25Å; A63-I295 HydrophobicContact CB-CG2 3.85Å; L65-I295 HydrophobicContact CD1-CB 4.39Å; L65-I295 HydrophobicContact CD1-CG2 4.09Å; M293-I295 HydrophobicContact CB-CG1 3.82Å; M293-I295 HydrophobicContact CE-CD1 3.76Å; M293-I295 HydrophobicContact CE-CG1 4.03Å; M293-I295 PolarHBondContact O-N 3.2Å; I295-D297 VanDerWaalsContact C-N 3.34Å; I295-A298 PolarHBondContact O-N 3.02Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 3.29Å; I295-V299 VanDerWaalsContact O-N 3.1Å
296Q98.5Very high98.1Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-68.6-39.9177.3-59.7162.9100109.7L26 L30 V121 M293 G294 S300L26-Q296 HydrophobicContact CD2-CB 3.8Å; L26-Q296 HydrophobicContact CD2-CG 4.12Å; L30-Q296 HydrophobicContact CD2-CG 4.49Å; V121-Q296 HydrophobicContact CG2-CG 4.1Å; M293-Q296 HydrophobicContact CB-CG 4.08Å; M293-Q296 HydrophobicContact CE-CG 4.42Å; M293-Q296 WeakPolarHBondContact O-CB 3.42Å; M293-Q296 PolarHBondContact O-N 2.73Å; G294-Q296 VanDerWaalsContact C-N 3.26Å; G294-Q296 PolarHBondContact O-N 2.77Å; Q296-S300 WeakPolarHBondContact O-CB 3.47Å; Q296-S300 PolarHBondContact O-N 2.92Å; Q296-S300 PolarHBondContact O-OG 2.88Å
297D98.6Very high98Very high0 Ų010.1 Ų10.10%05%0.049CC..Hα-helixtrans-69-39.4175-53.6-57.7000110.8M61 K74 R117 G294 I295 S300 A301M61-D297 WeakPolarHBondContact CE-OD2 3.28Å; K74-D297 HydrophobicContact CB-CB 4.17Å; K74-D297 HydrophobicContact CD-CB 4.42Å; K74-D297 WeakPolarHBondContact CE-OD2 3.47Å; K74-D297 IonicContact NZ-OD1 3.27Å; K74-D297 PolarHBondContact NZ-OD1 3.45Å; K74-D297 IonicContact NZ-OD2 3.99Å; K74-D297 PolarHBondContact NZ-OD2 3.24Å; R117-D297 IonicContact CZ-OD1 3.06Å; R117-D297 IonicContact NE-OD1 2.83Å; R117-D297 PolarHBondContact NE-OD1 2.79Å; G294-D297 WeakPolarHBondContact O-CB 3.4Å; G294-D297 PolarHBondContact O-N 2.91Å; G294-D297 VanDerWaalsContact O-N 3.14Å; I295-D297 VanDerWaalsContact C-N 3.34Å; D297-S300 PolarHBondContact O-N 2.8Å; D297-A301 WeakPolarHBondContact O-CB 3.34Å; D297-A301 PolarHBondContact O-N 2.9Å
298A98.4Very high98Very high0 Ų012.2 Ų12.20%06%0.058CC..Hα-helixtrans-60.7-51.2-179.600000112.9A63 L65 I70 C72 G294 I295 S300 A301 K302A63-A298 HydrophobicContact CB-CB 4.29Å; L65-A298 HydrophobicContact CD1-CB 3.84Å; I70-A298 HydrophobicContact CG2-CB 3.84Å; C72-A298 HydrophobicContact CB-CB 3.6Å; G294-A298 WeakPolarHBondContact O-CB 3.39Å; G294-A298 PolarHBondContact O-N 3.4Å; I295-A298 PolarHBondContact O-N 3.02Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 2.85Å; A298-A301 PolarHBondContact O-N 3.38Å; A298-K302 WeakPolarHBondContact O-CB 3.47Å; A298-K302 PolarHBondContact O-N 2.93Å
299V98.4Very high97.9Very high10 Ų1018 Ų186%0.0618%0.082CC..Hα-helixtrans-69.6-30.2178.9-60.50000112.5L26 A29 L65 I70 I295 L303L26-V299 HydrophobicContact CD2-CG2 3.71Å; L26-V299 HydrophobicContact CG-CG2 4.37Å; A29-V299 HydrophobicContact CB-CG1 3.83Å; A29-V299 HydrophobicContact CB-CG2 4.16Å; L65-V299 HydrophobicContact CD2-CG1 3.76Å; I70-V299 HydrophobicContact CD1-CG1 4.21Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 3.29Å; I295-V299 VanDerWaalsContact O-N 3.1Å; V299-L303 WeakPolarHBondContact O-CB 3.25Å; V299-L303 PolarHBondContact O-N 2.88Å
300S98.8Very high97.7Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-66.7-47.3173.4-58.10000111.3L22 R117 Q296 D297 A298 L303 V304L22-S300 VanDerWaalsContact CD1-OG 3.32Å; L22-S300 WeakPolarHBondContact CD1-OG 3.23Å; R117-S300 WeakPolarHBondContact CB-OG 3.37Å; Q296-S300 WeakPolarHBondContact O-CB 3.47Å; Q296-S300 PolarHBondContact O-N 2.92Å; Q296-S300 PolarHBondContact O-OG 2.88Å; D297-S300 PolarHBondContact O-N 2.8Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 2.85Å; S300-L303 WeakPolarHBondContact O-CB 3.29Å; S300-L303 PolarHBondContact O-N 3.22Å; S300-V304 WeakPolarHBondContact O-CG2 3.44Å; S300-V304 PolarHBondContact O-N 3.01Å
301A98.6Very high97.4Very high0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-63.7-41.817800000111.8V94 M108 I113 D297 A298 L303 V304 F305V94-A301 HydrophobicContact CG1-CB 3.65Å; M108-A301 HydrophobicContact CE-CB 4.14Å; M108-A301 WeakPolarHBondContact CE-O 2.97Å; M108-A301 HydrophobicContact SD-CB 3.92Å; I113-A301 HydrophobicContact CD1-CB 4.36Å; D297-A301 WeakPolarHBondContact O-CB 3.34Å; D297-A301 PolarHBondContact O-N 2.9Å; A298-A301 PolarHBondContact O-N 3.38Å; A301-L303 VanDerWaalsContact C-N 3.34Å; A301-L303 PolarHBondContact O-N 2.87Å; A301-V304 PolarHBondContact O-N 2.9Å; A301-F305 WeakPolarHBondContact O-CB 3.35Å; A301-F305 PolarHBondContact O-N 2.96Å
302K98.5Very high97Very high53 Ų5338.4 Ų38.423%0.2318%0.18CC..Hα-helixtrans-58.7-45173.7179.661.8160.8168.20111.7I70 A298 F305 E306I70-K302 HydrophobicContact CD1-CB 3.89Å; I70-K302 HydrophobicContact CD1-CG 3.76Å; I70-K302 HydrophobicContact CG1-CB 4.21Å; I70-K302 HydrophobicContact CG1-CD 4.24Å; I70-K302 HydrophobicContact CG1-CG 3.97Å; I70-K302 HydrophobicContact CG2-CB 4.15Å; A298-K302 WeakPolarHBondContact O-CB 3.47Å; A298-K302 PolarHBondContact O-N 2.93Å; K302-F305 PolarHBondContact O-N 2.9Å; K302-E306 HydrophobicContact CD-CG 4.26Å; K302-E306 WeakPolarHBondContact CE-OE1 3.24Å; K302-E306 IonicContact NZ-OE1 3.47Å; K302-E306 PolarHBondContact NZ-OE1 2.76Å; K302-E306 WeakPolarHBondContact O-CB 3.21Å; K302-E306 VanDerWaalsContact O-CG 3.29Å; K302-E306 WeakPolarHBondContact O-CG 3.41Å; K302-E306 PolarHBondContact O-N 3.13Å
303L98.6Very high97Very high3 Ų340.1 Ų40.12%0.01619%0.186CC..Hα-helixtrans-59.1-49.6175.6174.958.9000112.1L17 D21 L22 V299 S300 A301 F305 E306 Q307L17-L303 HydrophobicContact CD1-CD2 3.59Å; L17-L303 HydrophobicContact CD1-CG 4.13Å; D21-L303 HydrophobicContact CB-CD1 4.19Å; D21-L303 HydrophobicContact CB-CD2 4Å; L22-L303 HydrophobicContact CB-CD2 4.06Å; L22-L303 HydrophobicContact CD1-CD2 4.39Å; V299-L303 WeakPolarHBondContact O-CB 3.25Å; V299-L303 PolarHBondContact O-N 2.88Å; S300-L303 WeakPolarHBondContact O-CB 3.29Å; S300-L303 PolarHBondContact O-N 3.22Å; A301-L303 VanDerWaalsContact C-N 3.34Å; A301-L303 PolarHBondContact O-N 2.87Å; L303-F305 VanDerWaalsContact C-N 3.33Å; L303-F305 PolarHBondContact O-N 2.93Å; L303-E306 PolarHBondContact O-N 3.02Å; L303-Q307 HydrophobicContact CD1-CG 4.13Å; L303-Q307 WeakPolarHBondContact O-CG 3.47Å; L303-Q307 PolarHBondContact O-N 3.09Å
304V98.7Very high97Very high0 Ų041.9 Ų41.90%019%0.194CC..Hα-helixtrans-57.5-48.1177.1171.20000110.9I8 V13 L16 L17 M108 S300 A301 E306 Q307 W308I8-V304 HydrophobicContact CD1-CG1 4.08Å; I8-V304 HydrophobicContact CG2-CG1 3.92Å; V13-V304 HydrophobicContact CG1-CG2 4.05Å; V13-V304 HydrophobicContact CG2-CG1 4.15Å; L16-V304 HydrophobicContact CD1-CG1 4.28Å; L17-V304 HydrophobicContact CB-CG2 4.01Å; L17-V304 HydrophobicContact CD1-CG2 4.04Å; L17-V304 HydrophobicContact CD2-CG2 4.18Å; L17-V304 HydrophobicContact CG-CG2 4.3Å; M108-V304 HydrophobicContact SD-CB 4Å; M108-V304 HydrophobicContact SD-CG1 3.82Å; S300-V304 WeakPolarHBondContact O-CG2 3.44Å; S300-V304 PolarHBondContact O-N 3.01Å; A301-V304 PolarHBondContact O-N 2.9Å; V304-E306 PolarHBondContact O-N 2.91Å; V304-Q307 PolarHBondContact O-N 3.3Å; V304-W308 VanDerWaalsContact O-CB 3.3Å; V304-W308 WeakPolarHBondContact O-CB 3.48Å; V304-W308 PolarHBondContact O-N 3.18Å
305F98.3Very high97Very high24 Ų2444.1 Ų44.111%0.10520%0.204CC..Hα-helixtrans-62.8-42.4-178.6-173.7-115.7000112.9V6 I8 L96 K105 A106 M108 A301 K302 L303 W308 K309V6-F305 HydrophobicContact CG2-CD2 4.29Å; V6-F305 HydrophobicContact CG2-CE2 3.85Å; I8-F305 HydrophobicContact CD1-CD2 4.27Å; L96-F305 HydrophobicContact CD2-CB 3.67Å; L96-F305 HydrophobicContact CD2-CD1 3.7Å; L96-F305 HydrophobicContact CD2-CD2 4.33Å; L96-F305 HydrophobicContact CD2-CE1 4.41Å; L96-F305 HydrophobicContact CD2-CG 3.65Å; K105-F305 HydrophobicContact CB-CZ 4.16Å; K105-F305 HydrophobicContact CD-CE1 4.46Å; A106-F305 HydrophobicContact CB-CD2 3.77Å; A106-F305 HydrophobicContact CB-CE2 4Å; M108-F305 HydrophobicContact CE-CB 3.72Å; M108-F305 HydrophobicContact CE-CD2 4.33Å; M108-F305 HydrophobicContact CE-CG 4.37Å; A301-F305 WeakPolarHBondContact O-CB 3.35Å; A301-F305 PolarHBondContact O-N 2.96Å; K302-F305 PolarHBondContact O-N 2.9Å; L303-F305 VanDerWaalsContact C-N 3.33Å; L303-F305 PolarHBondContact O-N 2.93Å; F305-W308 PolarHBondContact O-N 3Å; F305-K309 HydrophobicContact CD1-CD 4.17Å; F305-K309 HydrophobicContact CE1-CD 3.62Å; F305-K309 HydrophobicContact CE1-CG 4.32Å; F305-K309 HydrophobicContact CE2-CD 4.45Å; F305-K309 HydrophobicContact CE2-CG 4.37Å; F305-K309 HydrophobicContact CZ-CD 3.78Å; F305-K309 HydrophobicContact CZ-CG 4.19Å; F305-K309 WeakPolarHBondContact O-CB 3.44Å; F305-K309 WeakPolarHBondContact O-CG 3.32Å; F305-K309 PolarHBondContact O-N 2.95Å
306E97.8Very high97Very high59 Ų5946.6 Ų46.628%0.27622%0.216SC..Hα-helixtrans-62.4-45.8176.2-74.4171.8167.400111.8R25 K302 L303 V304 W308 K309 N310R25-E306 IonicContact CZ-OE2 2.78Å; R25-E306 VanDerWaalsContact CZ-OE2 3.31Å; R25-E306 IonicContact NH1-OE2 3.68Å; R25-E306 PolarHBondContact NH1-OE2 3.45Å; R25-E306 IonicContact NH2-OE2 2.7Å; R25-E306 PolarHBondContact NH2-OE2 3.43Å; K302-E306 HydrophobicContact CD-CG 4.26Å; K302-E306 WeakPolarHBondContact CE-OE1 3.24Å; K302-E306 IonicContact NZ-OE1 3.47Å; K302-E306 PolarHBondContact NZ-OE1 2.76Å; K302-E306 WeakPolarHBondContact O-CB 3.21Å; K302-E306 VanDerWaalsContact O-CG 3.29Å; K302-E306 WeakPolarHBondContact O-CG 3.41Å; K302-E306 PolarHBondContact O-N 3.13Å; L303-E306 PolarHBondContact O-N 3.02Å; V304-E306 PolarHBondContact O-N 2.91Å; E306-W308 VanDerWaalsContact C-N 3.34Å; E306-K309 PolarHBondContact O-N 2.86Å; E306-N310 PolarHBondContact O-N 3.14Å; E306-N310 VanDerWaalsContact O-N 3.11Å; E306-N310 PolarHBondContact O-ND2 2.9Å
307Q97.8Very high96.9Very high37 Ų3749.6 Ų49.617%0.17323%0.229CC..Hα-helixtrans-67-37.9177.6-66.2-159.921.400112.1L16 L303 V304 N310 K311L16-Q307 HydrophobicContact CB-CB 4.25Å; L16-Q307 HydrophobicContact CD2-CB 3.64Å; L16-Q307 HydrophobicContact CG-CB 4.45Å; L16-Q307 PolarHBondContact O-NE2 3.04Å; L16-Q307 VanDerWaalsContact O-NE2 3.16Å; L16-Q307 PolarHBondContact O-OE1 2.88Å; L303-Q307 HydrophobicContact CD1-CG 4.13Å; L303-Q307 WeakPolarHBondContact O-CG 3.47Å; L303-Q307 PolarHBondContact O-N 3.09Å; V304-Q307 PolarHBondContact O-N 3.3Å; Q307-N310 PolarHBondContact O-N 3.19Å; Q307-K311 PolarHBondContact O-N 3.05Å
308W98.1Very high96.8Very high45 Ų4552.9 Ų52.917%0.1724%0.244CC..Hα-helixtrans-60.8-45.8176.2-177.788000111.4V6 I8 E12 L16 V304 F305 E306 N310 K311 H312V6-W308 HydrophobicContact CB-CH2 3.85Å; V6-W308 HydrophobicContact CB-CZ2 4.16Å; V6-W308 HydrophobicContact CB-CZ3 4.2Å; V6-W308 HydrophobicContact CG1-CH2 3.52Å; V6-W308 HydrophobicContact CG1-CZ2 4.28Å; V6-W308 HydrophobicContact CG1-CZ3 3.85Å; V6-W308 HydrophobicContact CG2-CE3 4.29Å; V6-W308 HydrophobicContact CG2-CH2 4.18Å; V6-W308 HydrophobicContact CG2-CZ3 4.04Å; I8-W308 HydrophobicContact CD1-CB 3.81Å; I8-W308 HydrophobicContact CD1-CD2 4.13Å; I8-W308 HydrophobicContact CD1-CG 3.7Å; I8-W308 HydrophobicContact CG1-CD2 4.33Å; I8-W308 HydrophobicContact CG1-CG 4.06Å; E12-W308 PolarHBondContact OE1-NE1 3.3Å; L16-W308 HydrophobicContact CD1-CB 3.82Å; L16-W308 HydrophobicContact CD1-CG 4.42Å; V304-W308 VanDerWaalsContact O-CB 3.3Å; V304-W308 WeakPolarHBondContact O-CB 3.48Å; V304-W308 PolarHBondContact O-N 3.18Å; F305-W308 PolarHBondContact O-N 3Å; E306-W308 VanDerWaalsContact C-N 3.34Å; W308-N310 VanDerWaalsContact C-N 3.26Å; W308-N310 PolarHBondContact O-N 3.24Å; W308-K311 PolarHBondContact O-N 3.17Å; W308-K311 VanDerWaalsContact O-N 3.13Å; W308-H312 AromaticContact CD1-CE1 3.88Å; W308-H312 AromaticContact CD1-ND1 3.9Å; W308-H312 AromaticContact CE2-ND1 3.8Å; W308-H312 AromaticContact NE1-CE1 3.6Å; W308-H312 AromaticContact NE1-ND1 3.69Å; W308-H312 PolarHBondContact O-N 3.46Å; W308-H312 PolarHBondContact O-ND1 3.34Å
309K96.6Very high96.7Very high120 Ų12056.6 Ų56.652%0.52226%0.262SS..Hα-helixtrans-64.3-24.4174.9-79.3-169.767.6-179.20114.3F305 E306 K311F305-K309 HydrophobicContact CD1-CD 4.17Å; F305-K309 HydrophobicContact CE1-CD 3.62Å; F305-K309 HydrophobicContact CE1-CG 4.32Å; F305-K309 HydrophobicContact CE2-CD 4.45Å; F305-K309 HydrophobicContact CE2-CG 4.37Å; F305-K309 HydrophobicContact CZ-CD 3.78Å; F305-K309 HydrophobicContact CZ-CG 4.19Å; F305-K309 WeakPolarHBondContact O-CB 3.44Å; F305-K309 WeakPolarHBondContact O-CG 3.32Å; F305-K309 PolarHBondContact O-N 2.95Å; E306-K309 PolarHBondContact O-N 2.86Å; K309-K311 VanDerWaalsContact C-N 3.33Å
310N94.8Very high96.6Very high143 Ų14360.2 Ų60.277%0.76528%0.277SS*.Hα-helixtrans-81.8-17.6176.8-69.6-20000112.1E306 Q307 W308E306-N310 PolarHBondContact O-N 3.14Å; E306-N310 VanDerWaalsContact O-N 3.11Å; E306-N310 PolarHBondContact O-ND2 2.9Å; Q307-N310 PolarHBondContact O-N 3.19Å; W308-N310 VanDerWaalsContact C-N 3.26Å; W308-N310 PolarHBondContact O-N 3.24Å
311K92.4Very high96.4Very high135 Ų13565.3 Ų65.359%0.58730%0.3SS*.Hα-helixtrans-94.7-15.6177.6-70.6-169-172.7171.30113.8G15 L16 Q307 W308 K309G15-K311 PolarHBondContact O-NZ 3.24Å; L16-K311 HydrophobicContact CD2-CD 3.82Å; Q307-K311 PolarHBondContact O-N 3.05Å; W308-K311 PolarHBondContact O-N 3.17Å; W308-K311 VanDerWaalsContact O-N 3.13Å; K309-K311 VanDerWaalsContact C-N 3.33Å
312H86.8Confident96.2Very high164 Ų16471.2 Ų71.276%0.75933%0.328SS*.  trans-131.30-174.7-59.787.9000110.9W308W308-H312 AromaticContact CD1-CE1 3.88Å; W308-H312 AromaticContact CD1-ND1 3.9Å; W308-H312 AromaticContact CE2-ND1 3.8Å; W308-H312 AromaticContact NE1-CE1 3.6Å; W308-H312 AromaticContact NE1-ND1 3.69Å; W308-H312 PolarHBondContact O-N 3.46Å; W308-H312 PolarHBondContact O-ND1 3.34Å

Retrieved 312 of 312 residues in 513.6 ms (Link to these results)

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