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UBX domain-containing protein 11

May be involved in the reorganization of actin cytoskeleton mediated by RND1, RND2 and RND3. Promotes RHOA activation mediated by GNA12 and GNA13.

AlphaFold DB , UniProt , Accession X6R8M6, Species HUMAN (Homo sapiens, Human), Gene UBXN11, Length 277 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
1M58.9Low74.9Confident137 Ų137114.9 Ų114.968%0.67557%0.57SS**  0-16.50-144174-16400114.2L30M1-L30 HydrophobicContact SD-CD1 3.9Å; M1-L30 HydrophobicContact SD-CD2 4.2Å; M1-L30 HydrophobicContact SD-CG 4.37Å
2F60.4Low76Confident133 Ų133111 Ų11158%0.58356%0.559SS**  trans-94.6108172.2-57.2-81.9000109G4 L33F2-G4 PolarHBondContact O-N 3.47Å; F2-L33 HydrophobicContact CE2-CD1 3.41Å; F2-L33 VanDerWaalsContact CE2-CD1 3.41Å; F2-L33 HydrophobicContact CZ-CD1 3.33Å
3D61.6Low76.7Confident173 Ų173105.3 Ų105.393%0.92554%0.536SS*.SBendtrans33.344.8170.5-58.5-25.8000115.7
4G67.2Low77.6Confident36 Ų3698.9 Ų98.937%0.37150%0.504SS..  trans-116.7168.118000000110.3F2 Y50F2-G4 PolarHBondContact O-N 3.47Å; G4-Y50 PolarHBondContact O-OH 3.21Å
5P74.8Confident78.7Confident79 Ų7997.1 Ų97.151%0.51349%0.494SS..PPolyproline II helixtrans-57.2159.5-17926.3-35.5000111.7Q7P5-Q7 PolarHBondContact O-N 2.88Å; P5-Q7 VanDerWaalsContact O-N 3.17Å
6F79.1Confident79.5Confident165 Ų16599.9 Ų99.972%0.72450%0.496SS*.PPolyproline II helixtrans-52.9125.6173.7-71.5-65.1000110.5Y50F6-Y50 HydrophobicContact CD2-CD1 4.25Å; F6-Y50 HydrophobicContact CD2-CG 4.24Å; F6-Y50 HydrophobicContact CE2-CD1 4.06Å; F6-Y50 HydrophobicContact CE2-CD2 4.2Å; F6-Y50 AromaticContact CE2-CG 3.63Å; F6-Y50 HydrophobicContact CE2-CG 3.63Å; F6-Y50 HydrophobicContact CZ-CD2 4.3Å; F6-Y50 HydrophobicContact CZ-CG 4.13Å
7Q81.8Confident80.1Confident101 Ų10195 Ų9547%0.47247%0.473SS..PPolyproline II helixtrans-77.2127.7178.9-63.5-176.8-7200109.5P5 T14P5-Q7 PolarHBondContact O-N 2.88Å; P5-Q7 VanDerWaalsContact O-N 3.17Å; Q7-T14 HydrophobicContact CB-CG2 4.4Å; Q7-T14 WeakPolarHBondContact CB-OG1 3.46Å
8P82.4Confident80.8Confident52 Ų5293.8 Ų93.834%0.33847%0.469SS..PPolyproline II helixtrans-68.3146.4179.125.8-31.9000111.5Y10 D11 T14P8-Y10 VanDerWaalsContact C-N 3.28Å; P8-Y10 HydrophobicContact CB-CD1 3.8Å; P8-Y10 HydrophobicContact CB-CD2 4.29Å; P8-Y10 HydrophobicContact CB-CE1 3.3Å; P8-Y10 HydrophobicContact CB-CE2 3.84Å; P8-Y10 HydrophobicContact CB-CG 4.26Å; P8-Y10 HydrophobicContact CG-CD2 4.37Å; P8-Y10 HydrophobicContact CG-CE1 4.09Å; P8-Y10 HydrophobicContact CG-CE2 3.71Å; P8-Y10 PolarHBondContact O-N 2.68Å; P8-D11 HydrophobicContact CG-CB 4.3Å; P8-D11 PolarHBondContact O-N 3Å; P8-T14 WeakPolarHBondContact O-CB 3.4Å; P8-T14 PolarHBondContact O-OG1 3.48Å; P8-T14 VanDerWaalsContact O-OG1 3.07Å
9F83.3Confident81.6Confident142 Ų14296.8 Ų96.862%0.62347%0.474SS*.THydrogen-bonded Turntrans-65.9-26.5-179.6178-99.3000114.1D11 Q15 L18F9-D11 PolarHBondContact O-N 3.44Å; F9-Q15 HydrophobicContact CE2-CG 4.5Å; F9-Q15 HydrophobicContact CZ-CG 4.48Å; F9-Q15 WeakPolarHBondContact O-CG 3.26Å; F9-Q15 PolarHBondContact O-NE2 2.88Å; F9-Q15 VanDerWaalsContact O-NE2 3.14Å; F9-L18 HydrophobicContact CD2-CD1 3.89Å; F9-L18 HydrophobicContact CE2-CD1 3.94Å
10Y86.9Confident82.2Confident189 Ų18993.5 Ų93.574%0.74146%0.458SS*.THydrogen-bonded Turntrans-75.3-12.3-18055.2-102.9000113.3P8P8-Y10 VanDerWaalsContact C-N 3.28Å; P8-Y10 HydrophobicContact CB-CD1 3.8Å; P8-Y10 HydrophobicContact CB-CD2 4.29Å; P8-Y10 HydrophobicContact CB-CE1 3.3Å; P8-Y10 HydrophobicContact CB-CE2 3.84Å; P8-Y10 HydrophobicContact CB-CG 4.26Å; P8-Y10 HydrophobicContact CG-CD2 4.37Å; P8-Y10 HydrophobicContact CG-CE1 4.09Å; P8-Y10 HydrophobicContact CG-CE2 3.71Å; P8-Y10 PolarHBondContact O-N 2.68Å
11D87.3Confident82.6Confident57 Ų5792.8 Ų92.831%0.30546%0.456SS..SBendtrans-70.3128.4178.1-178.354000110.6P8 F9 S13 T14 Q15P8-D11 HydrophobicContact CG-CB 4.3Å; P8-D11 PolarHBondContact O-N 3Å; F9-D11 PolarHBondContact O-N 3.44Å; D11-S13 PolarHBondContact O-N 2.85Å; D11-S13 VanDerWaalsContact O-N 3.16Å; D11-S13 WeakPolarHBondContact OD2-CB 3.26Å; D11-S13 PolarHBondContact OD2-N 2.76Å; D11-S13 PolarHBondContact OD2-OG 2.85Å; D11-T14 WeakPolarHBondContact O-CB 3.46Å; D11-T14 PolarHBondContact O-N 3.39Å; D11-T14 VanDerWaalsContact O-N 3.14Å; D11-Q15 PolarHBondContact O-N 3.34Å; D11-Q15 VanDerWaalsContact O-N 3.13Å
12P88Confident84.3Confident68 Ų6893.3 Ų93.344%0.44246%0.46SS..Hα-helixtrans-60-26.5-177.7-27.235.7000114.4R16P12-R16 WeakPolarHBondContact O-CG 3.28Å; P12-R16 PolarHBondContact O-N 3.14Å
13S85.9Confident85.9Confident37 Ų3791.9 Ų91.926%0.25946%0.459SS..Hα-helixtrans-70.6-49.9174.679.50000110.4D11 Q15 R16 C17D11-S13 PolarHBondContact O-N 2.85Å; D11-S13 VanDerWaalsContact O-N 3.16Å; D11-S13 WeakPolarHBondContact OD2-CB 3.26Å; D11-S13 PolarHBondContact OD2-N 2.76Å; D11-S13 PolarHBondContact OD2-OG 2.85Å; S13-Q15 PolarHBondContact O-N 3.32Å; S13-Q15 VanDerWaalsContact O-N 3.14Å; S13-R16 PolarHBondContact O-N 2.87Å; S13-C17 PolarHBondContact O-N 3.44Å
14T89.6Confident87.3Confident15 Ų1587 Ų879%0.09245%0.449CS..Hα-helixtrans-52.5-41.9175.2-49.70000112.8Q7 P8 D11 L18Q7-T14 HydrophobicContact CB-CG2 4.4Å; Q7-T14 WeakPolarHBondContact CB-OG1 3.46Å; P8-T14 WeakPolarHBondContact O-CB 3.4Å; P8-T14 PolarHBondContact O-OG1 3.48Å; P8-T14 VanDerWaalsContact O-OG1 3.07Å; D11-T14 WeakPolarHBondContact O-CB 3.46Å; D11-T14 PolarHBondContact O-N 3.39Å; D11-T14 VanDerWaalsContact O-N 3.14Å; T14-L18 HydrophobicContact CG2-CD1 4.25Å; T14-L18 WeakPolarHBondContact O-CB 3.48Å; T14-L18 VanDerWaalsContact O-CG 3.3Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.3Å
15Q93.1Very high88.5Confident73 Ų7392 Ų9234%0.34146%0.461SS..Hα-helixtrans-67.6-36.4178.8-66-175.7-17.400113.5F9 D11 S13 R19F9-Q15 HydrophobicContact CE2-CG 4.5Å; F9-Q15 HydrophobicContact CZ-CG 4.48Å; F9-Q15 WeakPolarHBondContact O-CG 3.26Å; F9-Q15 PolarHBondContact O-NE2 2.88Å; F9-Q15 VanDerWaalsContact O-NE2 3.14Å; D11-Q15 PolarHBondContact O-N 3.34Å; D11-Q15 VanDerWaalsContact O-N 3.13Å; S13-Q15 PolarHBondContact O-N 3.32Å; S13-Q15 VanDerWaalsContact O-N 3.14Å; Q15-R19 WeakPolarHBondContact O-CB 3.33Å; Q15-R19 PolarHBondContact O-N 3.45Å; Q15-R19 VanDerWaalsContact O-N 3.09Å
16R92.3Very high89.3Confident142 Ų14290.3 Ų90.354%0.53645%0.446SS..Hα-helixtrans-70.5-48175.7-73.8179.7-152.3122.42.4110.7P12 S13 L18 R19 D20P12-R16 WeakPolarHBondContact O-CG 3.28Å; P12-R16 PolarHBondContact O-N 3.14Å; S13-R16 PolarHBondContact O-N 2.87Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.23Å; R16-R19 WeakPolarHBondContact O-CA 3.38Å; R16-R19 WeakPolarHBondContact O-CB 3.28Å; R16-R19 PolarHBondContact O-N 2.85Å; R16-D20 VanDerWaalsContact O-CG 3.32Å; R16-D20 PolarHBondContact O-N 3.45Å
17C89.9Confident90Very high16 Ų1682.5 Ų82.511%0.10841%0.411CS..Hα-helixtrans-48.2-51.6172.5-175.90000112.1S13 R19 D20 I21 E29S13-C17 PolarHBondContact O-N 3.44Å; C17-R19 VanDerWaalsContact C-N 3.34Å; C17-R19 PolarHBondContact O-N 3.2Å; C17-D20 PolarHBondContact O-N 2.96Å; C17-I21 WeakPolarHBondContact O-CG1 3.13Å; C17-I21 PolarHBondContact O-N 2.84Å; C17-I21 VanDerWaalsContact O-N 3.12Å; C17-E29 VanDerWaalsContact CA-OE2 3.26Å; C17-E29 WeakPolarHBondContact CA-OE2 3.28Å; C17-E29 VanDerWaalsContact CB-CD 3.47Å; C17-E29 WeakPolarHBondContact CB-OE1 3.45Å; C17-E29 WeakPolarHBondContact CB-OE2 3.29Å; C17-E29 PolarHBondContact N-OE1 3.19Å; C17-E29 VanDerWaalsContact N-OE1 3.08Å
18L92.4Very high90.4Very high74 Ų7480.1 Ų80.139%0.38741%0.406SS..Hα-helixtrans-64.5-38.4179.4-72.3173.3000112.5F9 T14 R16 I21 L22F9-L18 HydrophobicContact CD2-CD1 3.89Å; F9-L18 HydrophobicContact CE2-CD1 3.94Å; T14-L18 HydrophobicContact CG2-CD1 4.25Å; T14-L18 WeakPolarHBondContact O-CB 3.48Å; T14-L18 VanDerWaalsContact O-CG 3.3Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.3Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.23Å; L18-I21 PolarHBondContact O-N 3.17Å; L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.85Å
19R95.2Very high90.7Very high150 Ų15080.8 Ų80.857%0.56641%0.405SS*.Hα-helixtrans-64.8-46.5176.7-175.4176.5-57.41665.2111.3Q15 R16 C17 I21 L22 D23Q15-R19 WeakPolarHBondContact O-CB 3.33Å; Q15-R19 PolarHBondContact O-N 3.45Å; Q15-R19 VanDerWaalsContact O-N 3.09Å; R16-R19 WeakPolarHBondContact O-CA 3.38Å; R16-R19 WeakPolarHBondContact O-CB 3.28Å; R16-R19 PolarHBondContact O-N 2.85Å; C17-R19 VanDerWaalsContact C-N 3.34Å; C17-R19 PolarHBondContact O-N 3.2Å; R19-I21 VanDerWaalsContact C-N 3.26Å; R19-I21 PolarHBondContact O-N 3.38Å; R19-L22 PolarHBondContact O-N 3.46Å; R19-L22 VanDerWaalsContact O-N 3.13Å; R19-D23 VanDerWaalsContact CG-OD2 3.23Å; R19-D23 WeakPolarHBondContact CG-OD2 3.44Å; R19-D23 WeakPolarHBondContact O-CB 3.26Å; R19-D23 PolarHBondContact O-N 3.41Å
20D94Very high90.8Very high30 Ų3074.7 Ų74.716%0.1638%0.378CS..Hα-helixtrans-55.3-45.3177.2-66.1-16.1000110.1R16 C17 D23 G24 F25 S28R16-D20 VanDerWaalsContact O-CG 3.32Å; R16-D20 PolarHBondContact O-N 3.45Å; C17-D20 PolarHBondContact O-N 2.96Å; D20-D23 PolarHBondContact O-N 2.94Å; D20-G24 PolarHBondContact O-N 3.19Å; D20-F25 CarbonylContact C-O 3.52Å; D20-F25 HydrophobicContact CB-CB 4.31Å; D20-F25 CarbonylContact O-C 3.55Å; D20-F25 WeakPolarHBondContact O-CA 3.43Å; D20-F25 PolarHBondContact O-N 2.8Å; D20-S28 VanDerWaalsContact OD2-CB 3.28Å; D20-S28 WeakPolarHBondContact OD2-CB 2.91Å; D20-S28 PolarHBondContact OD2-N 3Å; D20-S28 PolarHBondContact OD2-OG 2.72Å
21I91.6Very high91Very high80 Ų8070.2 Ų70.241%0.4136%0.364SS..Hα-helixtrans-62.4-47.6176.9-65166.2000111.9C17 L18 R19 D23 G24 P27C17-I21 WeakPolarHBondContact O-CG1 3.13Å; C17-I21 PolarHBondContact O-N 2.84Å; C17-I21 VanDerWaalsContact O-N 3.12Å; L18-I21 PolarHBondContact O-N 3.17Å; R19-I21 VanDerWaalsContact C-N 3.26Å; R19-I21 PolarHBondContact O-N 3.38Å; I21-D23 VanDerWaalsContact C-N 3.3Å; I21-D23 PolarHBondContact O-N 2.9Å; I21-G24 PolarHBondContact O-N 3.48Å; I21-G24 VanDerWaalsContact O-N 3.15Å; I21-P27 HydrophobicContact CD1-CG 4.24Å; I21-P27 HydrophobicContact CG1-CG 3.8Å
22L93Very high90.8Very high147 Ų14777.9 Ų77.977%0.7739%0.389SS*.Hα-helixtrans-67.1-32.6-177.5-71.4172.1000112.5L18 R19 G24L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.85Å; R19-L22 PolarHBondContact O-N 3.46Å; R19-L22 VanDerWaalsContact O-N 3.13Å; L22-G24 PolarHBondContact O-N 2.75Å
23D94.8Very high90.8Very high103 Ų10378.8 Ų78.855%0.55139%0.39SS*.THydrogen-bonded Turntrans-82.6-0.9176.7-67.4-23.4000112.4R19 D20 I21 F25R19-D23 VanDerWaalsContact CG-OD2 3.23Å; R19-D23 WeakPolarHBondContact CG-OD2 3.44Å; R19-D23 WeakPolarHBondContact O-CB 3.26Å; R19-D23 PolarHBondContact O-N 3.41Å; D20-D23 PolarHBondContact O-N 2.94Å; I21-D23 VanDerWaalsContact C-N 3.3Å; I21-D23 PolarHBondContact O-N 2.9Å; D23-F25 VanDerWaalsContact C-N 3.34Å; D23-F25 HydrophobicContact CB-CD2 3.69Å; D23-F25 HydrophobicContact CB-CE2 4.07Å
24G90.9Very high90.9Very high70 Ų7081.6 Ų81.672%0.72240%0.395SS*.THydrogen-bonded Turntrans79.413.1178.300000114.6D20 I21 L22D20-G24 PolarHBondContact O-N 3.19Å; I21-G24 PolarHBondContact O-N 3.48Å; I21-G24 VanDerWaalsContact O-N 3.15Å; L22-G24 PolarHBondContact O-N 2.75Å
25F92.3Very high90.8Very high143 Ų14385.7 Ų85.763%0.62742%0.422SS*.PPolyproline II helixtrans-88.7154.5174.8-68.5-74.1000112.2D20 D23D20-F25 CarbonylContact C-O 3.52Å; D20-F25 HydrophobicContact CB-CB 4.31Å; D20-F25 CarbonylContact O-C 3.55Å; D20-F25 WeakPolarHBondContact O-CA 3.43Å; D20-F25 PolarHBondContact O-N 2.8Å; D23-F25 VanDerWaalsContact C-N 3.34Å; D23-F25 HydrophobicContact CB-CD2 3.69Å; D23-F25 HydrophobicContact CB-CE2 4.07Å
26F92.6Very high90.6Very high43 Ų4389.9 Ų89.919%0.18945%0.447CS..PPolyproline II helixtrans-74125170.4-173.1-103.6000109.5S28 L30 Q31 Y34 V38 F40F26-S28 PolarHBondContact O-N 2.82Å; F26-L30 HydrophobicContact CE1-CB 3.59Å; F26-L30 HydrophobicContact CZ-CB 3.7Å; F26-L30 HydrophobicContact CZ-CD1 4.16Å; F26-Q31 HydrophobicContact CD1-CG 3.81Å; F26-Q31 HydrophobicContact CE1-CG 4.35Å; F26-Q31 PolarHBondContact O-NE2 2.8Å; F26-Y34 HydrophobicContact CZ-CD2 4.48Å; F26-V38 HydrophobicContact CE2-CG2 3.94Å; F26-V38 VanDerWaalsContact CE2-O 3.28Å; F26-V38 WeakPolarHBondContact CE2-O 3.47Å; F26-V38 HydrophobicContact CZ-CG2 3.82Å; F26-F40 HydrophobicContact CD2-CE2 4.1Å; F26-F40 AromaticContact CD2-CZ 3.8Å; F26-F40 HydrophobicContact CD2-CZ 3.8Å; F26-F40 AromaticContact CE2-CE1 3.81Å; F26-F40 HydrophobicContact CE2-CE1 3.81Å; F26-F40 HydrophobicContact CE2-CE2 4.11Å; F26-F40 AromaticContact CE2-CZ 3.4Å; F26-F40 HydrophobicContact CE2-CZ 3.4Å; F26-F40 VanDerWaalsContact CE2-CZ 3.4Å; F26-F40 HydrophobicContact CZ-CE1 4.45Å; F26-F40 HydrophobicContact CZ-CZ 4.21Å
27P93.3Very high90.5Very high0 Ų084.6 Ų84.60%044%0.436CS..PPolyproline II helixtrans-46.3123.1-176.2-30.433.3000113.5I21 E29 L30 Q31 F40I21-P27 HydrophobicContact CD1-CG 4.24Å; I21-P27 HydrophobicContact CG1-CG 3.8Å; P27-E29 PolarHBondContact O-N 3.28Å; P27-L30 HydrophobicContact CB-CB 4.49Å; P27-L30 HydrophobicContact CB-CD1 4.28Å; P27-L30 HydrophobicContact CB-CG 4.28Å; P27-L30 HydrophobicContact CG-CD1 4.4Å; P27-L30 PolarHBondContact O-N 3.27Å; P27-Q31 PolarHBondContact O-N 3.4Å; P27-F40 HydrophobicContact CG-CE2 3.93Å; P27-F40 HydrophobicContact CG-CZ 3.71Å
28S89.9Confident90.5Very high52 Ų5286.4 Ų86.436%0.36445%0.447SS..Hα-helixtrans-58.9-30.3-179.452.80000112.6D20 F26 L30 Q31D20-S28 VanDerWaalsContact OD2-CB 3.28Å; D20-S28 WeakPolarHBondContact OD2-CB 2.91Å; D20-S28 PolarHBondContact OD2-N 3Å; D20-S28 PolarHBondContact OD2-OG 2.72Å; F26-S28 PolarHBondContact O-N 2.82Å; S28-L30 PolarHBondContact O-N 2.87Å; S28-Q31 PolarHBondContact O-N 3.17Å
29E87.9Confident90.3Very high66 Ų6689 Ų8931%0.30847%0.468SS..Hα-helixtrans-62.3-28.9174.7-61.684.7-175.700113.1C17 P27C17-E29 VanDerWaalsContact CA-OE2 3.26Å; C17-E29 WeakPolarHBondContact CA-OE2 3.28Å; C17-E29 VanDerWaalsContact CB-CD 3.47Å; C17-E29 WeakPolarHBondContact CB-OE1 3.45Å; C17-E29 WeakPolarHBondContact CB-OE2 3.29Å; C17-E29 PolarHBondContact N-OE1 3.19Å; C17-E29 VanDerWaalsContact N-OE1 3.08Å; P27-E29 PolarHBondContact O-N 3.28Å
30L87.3Confident89.8Confident13 Ų1386.9 Ų86.97%0.06846%0.463CS..Hα-helixtrans-93.6-18.8-176.4-64.5-178.3000112.9M1 F26 P27 S28 R32 L33 Y34 F40M1-L30 HydrophobicContact SD-CD1 3.9Å; M1-L30 HydrophobicContact SD-CD2 4.2Å; M1-L30 HydrophobicContact SD-CG 4.37Å; F26-L30 HydrophobicContact CE1-CB 3.59Å; F26-L30 HydrophobicContact CZ-CB 3.7Å; F26-L30 HydrophobicContact CZ-CD1 4.16Å; P27-L30 HydrophobicContact CB-CB 4.49Å; P27-L30 HydrophobicContact CB-CD1 4.28Å; P27-L30 HydrophobicContact CB-CG 4.28Å; P27-L30 HydrophobicContact CG-CD1 4.4Å; P27-L30 PolarHBondContact O-N 3.27Å; S28-L30 PolarHBondContact O-N 2.87Å; L30-R32 PolarHBondContact O-N 3.47Å; L30-L33 PolarHBondContact O-N 3.44Å; L30-Y34 HydrophobicContact CB-CD2 4.35Å; L30-Y34 PolarHBondContact O-N 2.91Å; L30-F40 HydrophobicContact CD1-CE1 3.57Å; L30-F40 HydrophobicContact CD1-CZ 3.7Å
31Q89.1Confident89.4Confident95 Ų9594.6 Ų94.644%0.44450%0.495SS..Hα-helixtrans-58.1-31.6-179.2-70.7175.713.900112.7F26 P27 S28 L33 Y34 P35F26-Q31 HydrophobicContact CD1-CG 3.81Å; F26-Q31 HydrophobicContact CE1-CG 4.35Å; F26-Q31 PolarHBondContact O-NE2 2.8Å; P27-Q31 PolarHBondContact O-N 3.4Å; S28-Q31 PolarHBondContact O-N 3.17Å; Q31-L33 PolarHBondContact O-N 3.36Å; Q31-Y34 CarbonylContact O-C 3.32Å; Q31-Y34 PolarHBondContact O-N 2.68Å; Q31-P35 WeakPolarHBondContact O-CA 3.28Å
32R84.9Confident89.1Confident218 Ų21897.2 Ų97.282%0.82352%0.515SS*.THydrogen-bonded Turntrans-60.9-35175.5-172.2177.867.3175.1-0.3112.7L30L30-R32 PolarHBondContact O-N 3.47Å
33L86Confident88.7Confident88 Ų8893.8 Ų93.846%0.46150%0.503SS..THydrogen-bonded Turntrans-95.4-29.7-178.6-64.6172.6000111.9F2 L30 Q31F2-L33 HydrophobicContact CE2-CD1 3.41Å; F2-L33 VanDerWaalsContact CE2-CD1 3.41Å; F2-L33 HydrophobicContact CZ-CD1 3.33Å; L30-L33 PolarHBondContact O-N 3.44Å; Q31-L33 PolarHBondContact O-N 3.36Å
34Y89Confident88.2Confident96 Ų9693.6 Ų93.638%0.37650%0.502SS..  trans-130.173-178.2-55.6-73.4000109.7F26 L30 Q31 N36 G37 V38F26-Y34 HydrophobicContact CZ-CD2 4.48Å; L30-Y34 HydrophobicContact CB-CD2 4.35Å; L30-Y34 PolarHBondContact O-N 2.91Å; Q31-Y34 CarbonylContact O-C 3.32Å; Q31-Y34 PolarHBondContact O-N 2.68Å; Y34-N36 PolarHBondContact O-N 2.72Å; Y34-G37 PolarHBondContact O-N 3.02Å; Y34-V38 HydrophobicContact CD1-CB 4.35Å; Y34-V38 HydrophobicContact CD1-CG1 3.4Å; Y34-V38 HydrophobicContact CD1-CG2 3.98Å; Y34-V38 HydrophobicContact CD2-CG2 3.99Å; Y34-V38 HydrophobicContact CE1-CG1 4Å; Y34-V38 HydrophobicContact CE1-CG2 4.37Å; Y34-V38 HydrophobicContact CE2-CG2 4.39Å; Y34-V38 HydrophobicContact CG-CB 4.48Å; Y34-V38 HydrophobicContact CG-CG1 3.88Å; Y34-V38 HydrophobicContact CG-CG2 3.76Å
35P87.9Confident87.9Confident100 Ų10095 Ų9565%0.64949%0.492SS*.THydrogen-bonded Turntrans-63-27.1-174.223.6-34.2000113.2Q31Q31-P35 WeakPolarHBondContact O-CA 3.28Å
36N89.6Confident87.5Confident162 Ų16298 Ų9887%0.86650%0.5SS*.THydrogen-bonded Turntrans-93.25.2177.1-58.3-32.7000113Y34Y34-N36 PolarHBondContact O-N 2.72Å
37G88.1Confident87.2Confident30 Ų30103.9 Ų103.931%0.30953%0.533SS..  trans72.5159.4-172.400000113.6Y34Y34-G37 PolarHBondContact O-N 3.02Å
38V90.5Very high86.6Confident55 Ų55110.1 Ų110.133%0.33356%0.562SS.*  trans-138.8147.4171.3-71.70000110.3F26 Y34F26-V38 HydrophobicContact CE2-CG2 3.94Å; F26-V38 VanDerWaalsContact CE2-O 3.28Å; F26-V38 WeakPolarHBondContact CE2-O 3.47Å; F26-V38 HydrophobicContact CZ-CG2 3.82Å; Y34-V38 HydrophobicContact CD1-CB 4.35Å; Y34-V38 HydrophobicContact CD1-CG1 3.4Å; Y34-V38 HydrophobicContact CD1-CG2 3.98Å; Y34-V38 HydrophobicContact CD2-CG2 3.99Å; Y34-V38 HydrophobicContact CE1-CG1 4Å; Y34-V38 HydrophobicContact CE1-CG2 4.37Å; Y34-V38 HydrophobicContact CE2-CG2 4.39Å; Y34-V38 HydrophobicContact CG-CB 4.48Å; Y34-V38 HydrophobicContact CG-CG1 3.88Å; Y34-V38 HydrophobicContact CG-CG2 3.76Å
39P87.9Confident85.9Confident129 Ų129113.5 Ų113.584%0.83858%0.581SS**  trans-63140.5173.6-21.633.1000112.1
40F85.3Confident85Confident105 Ų105115.3 Ų115.346%0.46159%0.585SS.*  trans-88.9135.1173.9-66.1-47.9000112.3F26 P27 L30F26-F40 HydrophobicContact CD2-CE2 4.1Å; F26-F40 AromaticContact CD2-CZ 3.8Å; F26-F40 HydrophobicContact CD2-CZ 3.8Å; F26-F40 AromaticContact CE2-CE1 3.81Å; F26-F40 HydrophobicContact CE2-CE1 3.81Å; F26-F40 HydrophobicContact CE2-CE2 4.11Å; F26-F40 AromaticContact CE2-CZ 3.4Å; F26-F40 HydrophobicContact CE2-CZ 3.4Å; F26-F40 VanDerWaalsContact CE2-CZ 3.4Å; F26-F40 HydrophobicContact CZ-CE1 4.45Å; F26-F40 HydrophobicContact CZ-CZ 4.21Å; P27-F40 HydrophobicContact CG-CE2 3.93Å; P27-F40 HydrophobicContact CG-CZ 3.71Å; L30-F40 HydrophobicContact CD1-CE1 3.57Å; L30-F40 HydrophobicContact CD1-CZ 3.7Å
41K85.8Confident84Confident191 Ų191120.6 Ų120.683%0.8361%0.613SS**  trans-102106.7165.4-173.4-177.8178.6-176.60108.7
42V84.8Confident82.8Confident135 Ų135121 Ų12182%0.81862%0.615SS**  trans-79.9123.8178.2-175.90000109.3
43S84.8Confident81.2Confident76 Ų76118 Ų11853%0.53162%0.615SS.*  trans-116.4120.9174.3-560000108.8
44D85.1Confident79.7Confident98 Ų98117.3 Ų117.352%0.52463%0.629SS.*  trans-83.4115.3176.7-175.71.3000110R46D44-R46 WeakPolarHBondContact OD1-CB 3.46Å; D44-R46 WeakPolarHBondContact OD1-CG 3.44Å; D44-R46 IonicContact OD1-CZ 3.72Å; D44-R46 PolarHBondContact OD1-N 3.01Å; D44-R46 IonicContact OD1-NE 3.98Å; D44-R46 PolarHBondContact OD1-NE 3.1Å; D44-R46 IonicContact OD2-CZ 2.72Å; D44-R46 VanDerWaalsContact OD2-CZ 3.25Å; D44-R46 IonicContact OD2-NE 3.25Å; D44-R46 PolarHBondContact OD2-NE 2.88Å; D44-R46 IonicContact OD2-NH2 3.75Å; D44-R46 PolarHBondContact OD2-NH2 3.49Å
45L84.4Confident77.9Confident99 Ų99118.6 Ų118.652%0.51864%0.642SS.*  trans-116.519.5-179.2-51.1177.5000112.1N47 Q48L45-N47 PolarHBondContact O-N 2.95Å; L45-Q48 HydrophobicContact CB-CB 4.48Å; L45-Q48 WeakPolarHBondContact O-CB 3.07Å; L45-Q48 PolarHBondContact O-N 3.38Å
46R83.1Confident76.1Confident207 Ų207120.5 Ų120.578%0.78165%0.646SS**THydrogen-bonded Turntrans-58.1-24.5-175.1-74.8178.4-65.8167.3-0.1115D44D44-R46 WeakPolarHBondContact OD1-CB 3.46Å; D44-R46 WeakPolarHBondContact OD1-CG 3.44Å; D44-R46 IonicContact OD1-CZ 3.72Å; D44-R46 PolarHBondContact OD1-N 3.01Å; D44-R46 IonicContact OD1-NE 3.98Å; D44-R46 PolarHBondContact OD1-NE 3.1Å; D44-R46 IonicContact OD2-CZ 2.72Å; D44-R46 VanDerWaalsContact OD2-CZ 3.25Å; D44-R46 IonicContact OD2-NE 3.25Å; D44-R46 PolarHBondContact OD2-NE 2.88Å; D44-R46 IonicContact OD2-NH2 3.75Å; D44-R46 PolarHBondContact OD2-NH2 3.49Å
47N87.6Confident74.6Confident167 Ų167118.5 Ų118.589%0.89364%0.643SS**THydrogen-bonded Turntrans-92.71.9178.9-61.6-29.1000113.4L45L45-N47 PolarHBondContact O-N 2.95Å
48Q79.4Confident72.9Confident131 Ų131124.8 Ų124.861%0.61266%0.662SS**SBendtrans-100.4131.4179.1-66.11795000109.6L45 Y50L45-Q48 HydrophobicContact CB-CB 4.48Å; L45-Q48 WeakPolarHBondContact O-CB 3.07Å; L45-Q48 PolarHBondContact O-N 3.38Å; Q48-Y50 PolarHBondContact O-N 3.29Å
49V75.6Confident71.2Confident123 Ų123128.2 Ų128.275%0.74569%0.685SS**  trans-77.3117.7170.11800000106.8L51V49-L51 HydrophobicContact CG1-CD2 4.18Å; V49-L51 PolarHBondContact O-N 3.24Å
50Y69.3Low69.6Low103 Ų103123.7 Ų123.740%0.40466%0.662SS.*  trans-68.7103.2171.1-175.1-97.1000108.3G4 F6 Q48 E52G4-Y50 PolarHBondContact O-OH 3.21Å; F6-Y50 HydrophobicContact CD2-CD1 4.25Å; F6-Y50 HydrophobicContact CD2-CG 4.24Å; F6-Y50 HydrophobicContact CE2-CD1 4.06Å; F6-Y50 HydrophobicContact CE2-CD2 4.2Å; F6-Y50 AromaticContact CE2-CG 3.63Å; F6-Y50 HydrophobicContact CE2-CG 3.63Å; F6-Y50 HydrophobicContact CZ-CD2 4.3Å; F6-Y50 HydrophobicContact CZ-CG 4.13Å; Q48-Y50 PolarHBondContact O-N 3.29Å; Y50-E52 HydrophobicContact CD1-CB 4.44Å; Y50-E52 HydrophobicContact CE1-CB 4.08Å; Y50-E52 HydrophobicContact CE1-CG 4.1Å
51L66.5Low68.5Low125 Ų125126.3 Ų126.365%0.65468%0.675SS**  trans-81116.2167.8-61.7176000106.2V49 D53V49-L51 HydrophobicContact CG1-CD2 4.18Å; V49-L51 PolarHBondContact O-N 3.24Å; L51-D53 PolarHBondContact O-N 3.48Å
52E62.8Low67.2Low102 Ų102120.3 Ų120.348%0.47767%0.667SS.*  trans-72.279.8175.5-158.9169.5-151.600107.8Y50 G54 L55Y50-E52 HydrophobicContact CD1-CB 4.44Å; Y50-E52 HydrophobicContact CE1-CB 4.08Å; Y50-E52 HydrophobicContact CE1-CG 4.1Å; E52-G54 PolarHBondContact O-N 3.15Å; E52-G54 VanDerWaalsContact O-N 3.1Å; E52-L55 HydrophobicContact CG-CD1 4.36Å; E52-L55 HydrophobicContact CG-CG 4.39Å; E52-L55 PolarHBondContact O-N 2.85Å; E52-L55 WeakPolarHBondContact OE2-CD1 3.16Å
53D52.9Low65.9Low156 Ų156124.3 Ų124.383%0.83467%0.668SS**THydrogen-bonded Turntrans-58.6114.3179.8-87-31.4000109L51L51-D53 PolarHBondContact O-N 3.48Å
54G53.3Low65.1Low73 Ų73125.9 Ų125.975%0.75367%0.674SS**THydrogen-bonded Turntrans123.2-5.9-179.400000115.2E52 D56E52-G54 PolarHBondContact O-N 3.15Å; E52-G54 VanDerWaalsContact O-N 3.1Å; G54-D56 PolarHBondContact O-N 3.34Å
55L50.8Low63.4Low124 Ų124128.2 Ų128.265%0.64969%0.692SS**  trans-88.6100.8160.6-59.8-173.2000108.1E52E52-L55 HydrophobicContact CG-CD1 4.36Å; E52-L55 HydrophobicContact CG-CG 4.39Å; E52-L55 PolarHBondContact O-N 2.85Å; E52-L55 WeakPolarHBondContact OE2-CD1 3.16Å
56D51.1Low61.8Low139 Ų139126.2 Ų126.274%0.74370%0.695SS**  trans-43138.6159.2-71-45000108.2G54 F58G54-D56 PolarHBondContact O-N 3.34Å; D56-F58 PolarHBondContact O-N 3.05Å
57P58.9Low60.3Low121 Ų121127.5 Ų127.579%0.78670%0.699SS**SBendtrans-43.9125.9173.1-26.132.2000108.6P59P57-P59 WeakPolarHBondContact O-CD 3.38Å
58F51.8Low58.1Low161 Ų161127.5 Ų127.571%0.70669%0.694SS**  trans-41.6111.2-170.9175.7-106.1000109.8D56 G60D56-F58 PolarHBondContact O-N 3.05Å; F58-G60 WeakPolarHBondContact CD1-O 3.43Å; F58-G60 VanDerWaalsContact CE1-CA 3.41Å; F58-G60 WeakPolarHBondContact CE1-O 3.49Å; F58-G60 PolarHBondContact O-N 3.32Å
59P54Low56.5Low128 Ų128128.4 Ų128.483%0.83170%0.702SS**  trans-73.7-4-169.227-34.7000112.5P57P57-P59 WeakPolarHBondContact O-CD 3.38Å
60G55.2Low55Low33 Ų33130.2 Ų130.234%0.3471%0.705SS.*SBendtrans-84151.6174.500000111.9F58 G62F58-G60 WeakPolarHBondContact CD1-O 3.43Å; F58-G60 VanDerWaalsContact CE1-CA 3.41Å; F58-G60 WeakPolarHBondContact CE1-O 3.49Å; F58-G60 PolarHBondContact O-N 3.32Å; G60-G62 PolarHBondContact O-N 3.28Å
61E60.7Low53.6Low161 Ų161133.8 Ų133.875%0.75273%0.725SS**  trans-58.8108.1165-87.2177.114000110R63E61-R63 PolarHBondContact O-N 3.21Å
62G59.1Low52.2Low64 Ų64137.6 Ų137.666%0.6674%0.736SS**  trans-65.1115.6169.800000109.7G60G60-G62 PolarHBondContact O-N 3.28Å
63R58.8Low51Low220 Ų220137.3 Ų137.383%0.8375%0.751SS**  trans-86.9117.2165.1-69.7-172.1-172.6-147.1-0.7108.4E61 V65E61-R63 PolarHBondContact O-N 3.21Å; R63-V65 PolarHBondContact O-N 2.76Å
64V67.3Low50.5Low108 Ų108137.9 Ų137.966%0.65575%0.753SS**  trans-59.1111.6170.1177.90000108.3G66V64-G66 WeakPolarHBondContact CG1-O 3.46Å
65V50.1Low49.5Very low148 Ų148141.6 Ų141.690%0.89776%0.756SS**  trans-97.597.6167.7-176.60000107R63R63-V65 PolarHBondContact O-N 2.76Å
66G50.8Low49.5Very low57 Ų57146.5 Ų146.559%0.58877%0.766SS**SBendtrans125.1108.9-179.600000111.6V64V64-G66 WeakPolarHBondContact CG1-O 3.46Å
67R51.2Low48.7Very low233 Ų233145.5 Ų145.588%0.87976%0.764SS**  trans87.788.4-179.1-152.8179-139.5-127.43.3114.7
68Q41.5Very low47.8Very low167 Ų167147.3 Ų147.378%0.7876%0.762SS**  trans-119.496.2151.9-76.6179.6-9.800107.9
69L46.1Very low46.9Very low150 Ų150148.5 Ų148.579%0.78577%0.77SS**  trans-78.5124.7152.9-159.591.8000105.5H71L69-H71 PolarHBondContact O-N 3.29Å
70M43.9Very low46.4Very low162 Ų162150.6 Ų150.680%0.79877%0.768SS**  trans-54.8121.2-179.5-62.7-71.5162.600111.3
71H38.8Very low45.7Very low177 Ų177155.2 Ų155.282%0.81979%0.792SS**  trans-130.6131.9148.4-84.6-96.7000109.5L69L69-H71 PolarHBondContact O-N 3.29Å
72K37Very low44.9Very low206 Ų206151.1 Ų151.190%0.89679%0.793SS**  trans-61.8147.8-175-86.4169.5164.4173.70113.6
73A37Very low44.6Very low95 Ų95151.4 Ų151.479%0.78579%0.785SS**  trans64.9129.2136.300000120.6
74L42.5Very low44.5Very low168 Ų168151.9 Ų151.988%0.8879%0.787SS**  trans72.489.5154.3-154.684.9000116.2
75D33.6Very low44.4Very low152 Ų152152.4 Ų152.481%0.81378%0.784SS**  -149.6138.4122-142.4-10.1000111.2V77D75-V77 PolarHBondContact O-N 2.95Å
76R49.3Very low45.8Very low227 Ų227148.3 Ų148.386%0.85776%0.759SS**  trans-70.6108.4177.6-80172.8155.9169.9-7.7108.1E78R76-E78 PolarHBondContact O-N 2.92Å
77V35.1Very low47Very low117 Ų117148.1 Ų148.171%0.70975%0.752SS**  trans-86.598.9162.6-177.80000107.2D75 E79D75-V77 PolarHBondContact O-N 2.95Å; V77-E79 PolarHBondContact O-N 2.52Å
78E40.1Very low48.5Very low159 Ų159141.7 Ų141.774%0.74373%0.732SS**  trans-46120.6159.3-82.2-87.3133.400109.6R76 H80R76-E78 PolarHBondContact O-N 2.92Å; E78-H80 PolarHBondContact O-N 3.23Å
79E33.6Very low50.5Low186 Ų186138 Ų13887%0.86971%0.713SS**  trans-63.1100.9171.5-69.2-175.8143.700109.1V77 P81V77-E79 PolarHBondContact O-N 2.52Å; E79-P81 WeakPolarHBondContact O-CD 3.29Å
80H42.1Very low52.3Low172 Ų172135.3 Ų135.380%0.79670%0.695SS**  trans-73.1125163.3-10641.5000109E78 G82E78-H80 PolarHBondContact O-N 3.23Å; H80-G82 PolarHBondContact O-N 2.84Å
81P41.1Very low54.5Low131 Ų131127.8 Ų127.885%0.85166%0.658SS**  trans-77.565-177.631.9-33.4000110.9E79 S83E79-P81 WeakPolarHBondContact O-CD 3.29Å; P81-S83 PolarHBondContact O-N 2.86Å
82G44.3Very low56.8Low74 Ų74124.3 Ų124.376%0.76365%0.645SS**  trans-91.272.8177.900000112.3H80 R84H80-G82 PolarHBondContact O-N 2.84Å; G82-R84 PolarHBondContact O-N 3Å
83S53.1Low59.2Low71 Ų71124.2 Ų124.250%0.49764%0.64SS.*  trans-6.4104169.7-179.60000118.8P81 M85 K89P81-S83 PolarHBondContact O-N 2.86Å; S83-M85 PolarHBondContact O-N 3.01Å; S83-M85 VanDerWaalsContact O-N 3.08Å; S83-K89 PolarHBondContact OG-NZ 2.79Å
84R55.6Low61.5Low230 Ų230121.4 Ų121.487%0.86861%0.611SS**  trans-52.1115.3148.8-79.3170.776.9152.5-0108.6G82 T86 K89G82-R84 PolarHBondContact O-N 3Å; R84-T86 PolarHBondContact O-N 3.29Å; R84-K89 PolarHBondContact O-NZ 2.96Å; R84-K89 VanDerWaalsContact O-NZ 3.15Å
85M65.9Low63.6Low119 Ų119117.1 Ų117.159%0.58659%0.593SS**  trans-79.1116.9177.3-16778.290.300108.7S83 K89 F90S83-M85 PolarHBondContact O-N 3.01Å; S83-M85 VanDerWaalsContact O-N 3.08Å; M85-K89 HydrophobicContact CG-CB 4.21Å; M85-K89 HydrophobicContact SD-CB 3.59Å; M85-K89 VanDerWaalsContact SD-CB 3.59Å; M85-K89 HydrophobicContact SD-CD 4.32Å; M85-F90 HydrophobicContact CG-CB 4.48Å
86T79.6Confident65.9Low62 Ų62116.2 Ų116.238%0.3858%0.582SS.*  trans-86.9161.1173.772.80000110.3R84 E88 K89 F90R84-T86 PolarHBondContact O-N 3.29Å; T86-E88 WeakPolarHBondContact CB-OE2 3.27Å; T86-E88 PolarHBondContact O-N 2.6Å; T86-E88 PolarHBondContact OG1-OE2 3.06Å; T86-K89 WeakPolarHBondContact O-CB 3.37Å; T86-K89 PolarHBondContact O-N 3.31Å; T86-K89 PolarHBondContact OG1-N 2.98Å; T86-F90 PolarHBondContact O-N 2.81Å
87A75.9Confident67.8Low52 Ų52111.3 Ų111.343%0.4357%0.567SS.*Hα-helixtrans-55.5-37.3176.200000111.3F90 L91A87-F90 PolarHBondContact O-N 3.02Å; A87-L91 VanDerWaalsContact O-CG 3.24Å; A87-L91 WeakPolarHBondContact O-CG 3.37Å; A87-L91 PolarHBondContact O-N 3Å
88E82.4Confident70.2Confident99 Ų99107.9 Ų107.946%0.46355%0.546SS..Hα-helixtrans-67.3-40176.5-55.372.3-152.900111.8T86 F90 L91 N92T86-E88 WeakPolarHBondContact CB-OE2 3.27Å; T86-E88 PolarHBondContact O-N 2.6Å; T86-E88 PolarHBondContact OG1-OE2 3.06Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-L91 PolarHBondContact O-N 3.01Å; E88-N92 VanDerWaalsContact O-CB 3.32Å; E88-N92 WeakPolarHBondContact O-CB 3.27Å; E88-N92 VanDerWaalsContact O-CG 3.25Å; E88-N92 PolarHBondContact O-N 2.91Å; E88-N92 PolarHBondContact O-ND2 2.93Å
89K84.1Confident72.4Confident89 Ų89106.1 Ų106.139%0.38754%0.541SS..Hα-helixtrans-63.5-40.4175.4-74.5-179.4179176.60111.2S83 R84 M85 T86 N92 R93S83-K89 PolarHBondContact OG-NZ 2.79Å; R84-K89 PolarHBondContact O-NZ 2.96Å; R84-K89 VanDerWaalsContact O-NZ 3.15Å; M85-K89 HydrophobicContact CG-CB 4.21Å; M85-K89 HydrophobicContact SD-CB 3.59Å; M85-K89 VanDerWaalsContact SD-CB 3.59Å; M85-K89 HydrophobicContact SD-CD 4.32Å; T86-K89 WeakPolarHBondContact O-CB 3.37Å; T86-K89 PolarHBondContact O-N 3.31Å; T86-K89 PolarHBondContact OG1-N 2.98Å; K89-N92 PolarHBondContact O-N 3.33Å; K89-R93 WeakPolarHBondContact O-CG 3.44Å; K89-R93 PolarHBondContact O-N 2.94Å
90F84Confident74.4Confident94 Ų94105.6 Ų105.641%0.41253%0.531SS..Hα-helixtrans-63.9-49.8174.8175-98.5000112M85 T86 A87 E88 N92 R93 L94 I111 L115M85-F90 HydrophobicContact CG-CB 4.48Å; T86-F90 PolarHBondContact O-N 2.81Å; A87-F90 PolarHBondContact O-N 3.02Å; E88-F90 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.48Å; F90-R93 WeakPolarHBondContact O-CB 3.49Å; F90-R93 PolarHBondContact O-N 2.6Å; F90-L94 HydrophobicContact CE1-CD1 4.04Å; F90-L94 HydrophobicContact CZ-CD2 4.5Å; F90-L94 PolarHBondContact O-N 3.2Å; F90-I111 HydrophobicContact CE1-CG2 4.3Å; F90-L115 HydrophobicContact CD1-CD1 3.95Å; F90-L115 HydrophobicContact CE1-CD1 4.11Å
91L88.8Confident76.2Confident4 Ų4107.4 Ų107.42%0.02154%0.54CS..Hα-helixtrans-60.5-32177.7-68170.7000112.3A87 E88 R93 L94 R108 I111 R112 L115A87-L91 VanDerWaalsContact O-CG 3.24Å; A87-L91 WeakPolarHBondContact O-CG 3.37Å; A87-L91 PolarHBondContact O-N 3Å; E88-L91 PolarHBondContact O-N 3.01Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.31Å; L91-L94 HydrophobicContact CD2-CD1 4.16Å; L91-L94 PolarHBondContact O-N 3.44Å; L91-R108 WeakPolarHBondContact O-CD 3.45Å; L91-R108 PolarHBondContact O-NE 3.07Å; L91-R108 VanDerWaalsContact O-NE 3.12Å; L91-I111 HydrophobicContact CD2-CB 4.25Å; L91-I111 HydrophobicContact CD2-CG2 3.91Å; L91-R112 HydrophobicContact CD1-CB 3.64Å; L91-R112 HydrophobicContact CD1-CG 3.81Å; L91-R112 HydrophobicContact CD2-CB 4.22Å; L91-L115 HydrophobicContact CD2-CD1 4.27Å
92N87.1Confident78.2Confident103 Ų103104.7 Ų104.755%0.55154%0.535SS*.Hα-helixtrans-71.9-19.2175.6-78.5-40.1000114.1E88 K89 F90 R108E88-N92 VanDerWaalsContact O-CB 3.32Å; E88-N92 WeakPolarHBondContact O-CB 3.27Å; E88-N92 VanDerWaalsContact O-CG 3.25Å; E88-N92 PolarHBondContact O-N 2.91Å; E88-N92 PolarHBondContact O-ND2 2.93Å; K89-N92 PolarHBondContact O-N 3.33Å; F90-N92 PolarHBondContact O-N 3.48Å; N92-R108 PolarHBondContact O-NH2 3.02Å; N92-R108 PolarHBondContact OD1-NH1 2.85Å; N92-R108 VanDerWaalsContact OD1-NH1 3.08Å
93R87.6Confident80.1Confident205 Ų205107.6 Ų107.677%0.77453%0.529SS*.Hα-helixtrans-81.3-19.6173.3-64.9-74.2169177.8-2.6112.8K89 F90 L91K89-R93 WeakPolarHBondContact O-CG 3.44Å; K89-R93 PolarHBondContact O-N 2.94Å; F90-R93 WeakPolarHBondContact O-CB 3.49Å; F90-R93 PolarHBondContact O-N 2.6Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.31Å
94L86.3Confident81.7Confident36 Ų36108.8 Ų108.819%0.18853%0.533CS..SBendtrans-76.3143.7174.8-59.8175.6000110.5F90 L91 I107 R108 I111F90-L94 HydrophobicContact CE1-CD1 4.04Å; F90-L94 HydrophobicContact CZ-CD2 4.5Å; F90-L94 PolarHBondContact O-N 3.2Å; L91-L94 HydrophobicContact CD2-CD1 4.16Å; L91-L94 PolarHBondContact O-N 3.44Å; L94-I107 HydrophobicContact CB-CD1 4.05Å; L94-R108 HydrophobicContact CB-CG 4.33Å; L94-R108 PolarHBondContact O-NE 3.5Å; L94-R108 PolarHBondContact O-NH2 3.27Å; L94-I111 HydrophobicContact CD1-CB 4.46Å; L94-I111 HydrophobicContact CD1-CD1 3.72Å; L94-I111 HydrophobicContact CD1-CG2 4.07Å
95P85.8Confident83.2Confident78 Ų78100.9 Ų100.951%0.50651%0.508SS..  trans-50.7145.6166.4-26.234.3000111.4V98 I107P95-V98 HydrophobicContact CB-CG1 4.41Å; P95-I107 HydrophobicContact CB-CD1 4.26Å; P95-I107 VanDerWaalsContact O-CD1 3.24Å; P95-I107 WeakPolarHBondContact O-CD1 3.29Å; P95-I107 WeakPolarHBondContact O-CG1 3.07Å
96K83.1Confident84.3Confident133 Ų13398.7 Ų98.758%0.57850%0.498SS*.SBendtrans-68.6-39177.4-71.5-177.9179.8-178.50111.5D106 R108K96-D106 VanDerWaalsContact O-OD1 3.12Å; K96-R108 VanDerWaalsContact CG-CZ 3.43Å
97F87.7Confident84.6Confident124 Ų12497.2 Ų97.254%0.54449%0.488SS..EExtended strand (participates in β ladder)trans-136.8151.5-178.7-56.8-81.9000110.7V104 I105 D106F97-V104 HydrophobicContact CB-CG1 3.93Å; F97-V104 HydrophobicContact CD1-CG1 3.97Å; F97-V104 HydrophobicContact CG-CG1 4.15Å; F97-I105 CarbonylContact C-O 3.57Å; F97-I105 VanDerWaalsContact CA-O 3.27Å; F97-I105 WeakPolarHBondContact CA-O 3.26Å; F97-D106 HydrophobicContact CD1-CB 3.97Å; F97-D106 HydrophobicContact CE1-CB 3.85Å
98V86.9Confident85.4Confident44 Ų4496.9 Ų96.927%0.26748%0.475SS..EExtended strand (participates in β ladder)trans-133.1146.9168.8-59.10000109.4P95 R100 I105 I107P95-V98 HydrophobicContact CB-CG1 4.41Å; V98-R100 HydrophobicContact CG2-CG 4.3Å; V98-I105 HydrophobicContact CG2-CB 4.23Å; V98-I105 PolarHBondContact N-O 2.94Å; V98-I105 PolarHBondContact O-N 3.31Å; V98-I107 HydrophobicContact CB-CG2 4.35Å; V98-I107 HydrophobicContact CG1-CD1 4.05Å; V98-I107 HydrophobicContact CG1-CG2 4.1Å; V98-I107 HydrophobicContact CG2-CG2 3.41Å; V98-I107 VanDerWaalsContact CG2-CG2 3.41Å
99I85.6Confident85.5Confident123 Ų12393.2 Ų93.263%0.63146%0.464SS*.EExtended strand (participates in β ladder)trans-98.5120176-57.7172.5000108.3E103 V104I99-E103 WeakPolarHBondContact CA-O 3.39Å; I99-V104 HydrophobicContact CG1-CG2 4.25Å
100R76.6Confident85.5Confident175 Ų17592.4 Ų92.466%0.6647%0.468SS*.EExtended strand (participates in β ladder)trans-128.9127.7174.4-69.1-75-175.2-154-0107.5V98 G102 E103 I105V98-R100 HydrophobicContact CG2-CG 4.3Å; R100-G102 PolarHBondContact O-N 3.01Å; R100-G102 VanDerWaalsContact O-N 3.11Å; R100-E103 PolarHBondContact N-O 2.68Å; R100-E103 PolarHBondContact O-N 2.99Å; R100-I105 HydrophobicContact CB-CD1 3.8Å; R100-I105 HydrophobicContact CG-CD1 4.19Å
101Q78.5Confident85.4Confident209 Ų20990.7 Ų90.798%0.97746%0.463SS*.THydrogen-bonded Turntrans55.829.8176.9-57.7176.8-1900114.6E103Q101-E103 VanDerWaalsContact C-N 3.29Å; Q101-E103 PolarHBondContact O-N 2.9Å
102G83.3Confident85.3Confident74 Ų7495.3 Ų95.376%0.76348%0.48SS*.THydrogen-bonded Turntrans83.8-1.4-178.900000114.8R100R100-G102 PolarHBondContact O-N 3.01Å; R100-G102 VanDerWaalsContact O-N 3.11Å
103E84.8Confident85Confident136 Ų13694.3 Ų94.364%0.63647%0.474SS*.EExtended strand (participates in β ladder)trans-102.9138.1177.2-167.6175.817800111I99 R100 Q101I99-E103 WeakPolarHBondContact CA-O 3.39Å; R100-E103 PolarHBondContact N-O 2.68Å; R100-E103 PolarHBondContact O-N 2.99Å; Q101-E103 VanDerWaalsContact C-N 3.29Å; Q101-E103 PolarHBondContact O-N 2.9Å
104V87.2Confident84.5Confident95 Ų9588.2 Ų88.258%0.57646%0.46SS*.EExtended strand (participates in β ladder)trans-87.7112.3176.2-176.50000108.5F97 I99F97-V104 HydrophobicContact CB-CG1 3.93Å; F97-V104 HydrophobicContact CD1-CG1 3.97Å; F97-V104 HydrophobicContact CG-CG1 4.15Å; I99-V104 HydrophobicContact CG1-CG2 4.25Å
105I86.1Confident83.9Confident65 Ų6590.3 Ų90.333%0.33347%0.471SS..EExtended strand (participates in β ladder)trans-106.8124.8-175.9-54.5177.2000109.4F97 V98 R100 I107F97-I105 CarbonylContact C-O 3.57Å; F97-I105 VanDerWaalsContact CA-O 3.27Å; F97-I105 WeakPolarHBondContact CA-O 3.26Å; V98-I105 HydrophobicContact CG2-CB 4.23Å; V98-I105 PolarHBondContact N-O 2.94Å; V98-I105 PolarHBondContact O-N 3.31Å; R100-I105 HydrophobicContact CB-CD1 3.8Å; R100-I105 HydrophobicContact CG-CD1 4.19Å; I105-I107 HydrophobicContact CG2-CG2 4.39Å; I105-I107 PolarHBondContact O-N 2.89Å
106D89.3Confident83Confident72 Ų7292.6 Ų92.639%0.38548%0.475SS..EExtended strand (participates in β ladder)trans-75.2115.2163.8-178.6-3.5000108.9K96 F97 R108 P110K96-D106 VanDerWaalsContact O-OD1 3.12Å; F97-D106 HydrophobicContact CD1-CB 3.97Å; F97-D106 HydrophobicContact CE1-CB 3.85Å; D106-R108 PolarHBondContact OD1-N 3.15Å; D106-P110 WeakPolarHBondContact O-CD 3.36Å; D106-P110 WeakPolarHBondContact O-CG 3.48Å
107I86.6Confident82Confident32 Ų3292.3 Ų92.316%0.16448%0.48CS..  trans-89.2-21.8-178.459.6167.6000112.6L94 P95 V98 I105 I111L94-I107 HydrophobicContact CB-CD1 4.05Å; P95-I107 HydrophobicContact CB-CD1 4.26Å; P95-I107 VanDerWaalsContact O-CD1 3.24Å; P95-I107 WeakPolarHBondContact O-CD1 3.29Å; P95-I107 WeakPolarHBondContact O-CG1 3.07Å; V98-I107 HydrophobicContact CB-CG2 4.35Å; V98-I107 HydrophobicContact CG1-CD1 4.05Å; V98-I107 HydrophobicContact CG1-CG2 4.1Å; V98-I107 HydrophobicContact CG2-CG2 3.41Å; V98-I107 VanDerWaalsContact CG2-CG2 3.41Å; I105-I107 HydrophobicContact CG2-CG2 4.39Å; I105-I107 PolarHBondContact O-N 2.89Å; I107-I111 HydrophobicContact CB-CD1 4.21Å; I107-I111 WeakPolarHBondContact O-CB 3.45Å; I107-I111 VanDerWaalsContact O-CD1 3.25Å; I107-I111 WeakPolarHBondContact O-CD1 3.29Å; I107-I111 WeakPolarHBondContact O-CG1 3.23Å; I107-I111 PolarHBondContact O-N 2.78Å
108R91.1Very high80.3Confident44 Ų4490.7 Ų90.717%0.16648%0.483CS..Hα-helixtrans-75.1-37.3-171.5-65.8-176.3175.9-160.4-3.4111.6L91 N92 L94 K96 D106 R112L91-R108 WeakPolarHBondContact O-CD 3.45Å; L91-R108 PolarHBondContact O-NE 3.07Å; L91-R108 VanDerWaalsContact O-NE 3.12Å; N92-R108 PolarHBondContact O-NH2 3.02Å; N92-R108 PolarHBondContact OD1-NH1 2.85Å; N92-R108 VanDerWaalsContact OD1-NH1 3.08Å; L94-R108 HydrophobicContact CB-CG 4.33Å; L94-R108 PolarHBondContact O-NE 3.5Å; L94-R108 PolarHBondContact O-NH2 3.27Å; K96-R108 VanDerWaalsContact CG-CZ 3.43Å; D106-R108 PolarHBondContact OD1-N 3.15Å; R108-R112 VanDerWaalsContact O-CB 3.25Å; R108-R112 WeakPolarHBondContact O-CB 3.5Å; R108-R112 PolarHBondContact O-N 2.83Å
109G85.9Confident78.4Confident22 Ų2292.5 Ų92.523%0.22750%0.497CS..Hα-helixtrans-62.2-61.8176.900000112.4I111 R112 D113G109-I111 VanDerWaalsContact C-N 3.27Å; G109-I111 PolarHBondContact O-N 2.9Å; G109-R112 WeakPolarHBondContact O-CA 3.31Å; G109-R112 VanDerWaalsContact O-CB 3.29Å; G109-R112 WeakPolarHBondContact O-CB 3.45Å; G109-R112 PolarHBondContact O-N 2.91Å; G109-D113 PolarHBondContact O-N 2.86Å
110P83.8Confident76.7Confident73 Ų7392.2 Ų92.247%0.47450%0.503SS..Hα-helixtrans-57.5-36.9-179.2-26.735.3000113.8D106 D113 T114D106-P110 WeakPolarHBondContact O-CD 3.36Å; D106-P110 WeakPolarHBondContact O-CG 3.48Å; P110-D113 PolarHBondContact O-N 2.9Å; P110-T114 WeakPolarHBondContact O-CB 3.35Å; P110-T114 PolarHBondContact O-N 3.36Å; P110-T114 PolarHBondContact O-OG1 2.81Å
111I82.3Confident75.4Confident58 Ų5890.8 Ų90.830%0.29751%0.508SS..Hα-helixtrans-70.8-38.4176.7-66171.2000111F90 L91 L94 I107 G109 D113 T114 L115F90-I111 HydrophobicContact CE1-CG2 4.3Å; L91-I111 HydrophobicContact CD2-CB 4.25Å; L91-I111 HydrophobicContact CD2-CG2 3.91Å; L94-I111 HydrophobicContact CD1-CB 4.46Å; L94-I111 HydrophobicContact CD1-CD1 3.72Å; L94-I111 HydrophobicContact CD1-CG2 4.07Å; I107-I111 HydrophobicContact CB-CD1 4.21Å; I107-I111 WeakPolarHBondContact O-CB 3.45Å; I107-I111 VanDerWaalsContact O-CD1 3.25Å; I107-I111 WeakPolarHBondContact O-CD1 3.29Å; I107-I111 WeakPolarHBondContact O-CG1 3.23Å; I107-I111 PolarHBondContact O-N 2.78Å; G109-I111 VanDerWaalsContact C-N 3.27Å; G109-I111 PolarHBondContact O-N 2.9Å; I111-D113 VanDerWaalsContact C-N 3.34Å; I111-T114 PolarHBondContact O-N 2.79Å; I111-L115 HydrophobicContact CG2-CD1 4.01Å; I111-L115 HydrophobicContact CG2-CG 4.28Å; I111-L115 WeakPolarHBondContact O-CB 3.32Å; I111-L115 VanDerWaalsContact O-CG 3.24Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 2.84Å
112R86Confident74.2Confident101 Ų10186.4 Ų86.438%0.38150%0.497SS..Hα-helixtrans-58.6-48.5173179.4-171.2-59.9-111.6-1.4110.7L91 R108 G109 T114 L115 Q116L91-R112 HydrophobicContact CD1-CB 3.64Å; L91-R112 HydrophobicContact CD1-CG 3.81Å; L91-R112 HydrophobicContact CD2-CB 4.22Å; R108-R112 VanDerWaalsContact O-CB 3.25Å; R108-R112 WeakPolarHBondContact O-CB 3.5Å; R108-R112 PolarHBondContact O-N 2.83Å; G109-R112 WeakPolarHBondContact O-CA 3.31Å; G109-R112 VanDerWaalsContact O-CB 3.29Å; G109-R112 WeakPolarHBondContact O-CB 3.45Å; G109-R112 PolarHBondContact O-N 2.91Å; R112-T114 VanDerWaalsContact C-N 3.29Å; R112-T114 PolarHBondContact O-N 2.89Å; R112-L115 PolarHBondContact O-N 3.18Å; R112-Q116 WeakPolarHBondContact O-CG 3.45Å; R112-Q116 PolarHBondContact O-N 2.97Å
113D80.3Confident72.9Confident81 Ų8186.5 Ų86.543%0.43349%0.49SS..Hα-helixtrans-64.4-40.2-178.4-60.4-17.7000110.3G109 P110 I111 Q116 N117G109-D113 PolarHBondContact O-N 2.86Å; P110-D113 PolarHBondContact O-N 2.9Å; I111-D113 VanDerWaalsContact C-N 3.34Å; D113-Q116 PolarHBondContact O-N 3.28Å; D113-N117 VanDerWaalsContact O-CB 3.24Å; D113-N117 WeakPolarHBondContact O-CB 3.33Å; D113-N117 PolarHBondContact O-N 3.49Å; D113-N117 PolarHBondContact O-ND2 3.04Å
114T77.9Confident72.1Confident77 Ų7791.3 Ų91.347%0.47250%0.503SS..Hα-helixtrans-62.1-45.7173.5-55.50000111.4P110 I111 R112 Q116 N117 C118P110-T114 WeakPolarHBondContact O-CB 3.35Å; P110-T114 PolarHBondContact O-N 3.36Å; P110-T114 PolarHBondContact O-OG1 2.81Å; I111-T114 PolarHBondContact O-N 2.79Å; R112-T114 VanDerWaalsContact C-N 3.29Å; R112-T114 PolarHBondContact O-N 2.89Å; T114-Q116 VanDerWaalsContact C-N 3.29Å; T114-Q116 PolarHBondContact O-N 3.02Å; T114-N117 PolarHBondContact O-N 2.98Å; T114-C118 WeakPolarHBondContact CG2-SG 3.41Å; T114-C118 WeakPolarHBondContact O-CB 3.45Å; T114-C118 PolarHBondContact O-N 3.07Å; T114-C118 PolarHBondContact O-SG 3.15Å
115L72.2Confident71.7Confident80 Ų8089.6 Ų89.642%0.41949%0.49SS..Hα-helixtrans-64.5-31.6177.4-72.6172.6000112.9F90 L91 I111 R112F90-L115 HydrophobicContact CD1-CD1 3.95Å; F90-L115 HydrophobicContact CE1-CD1 4.11Å; L91-L115 HydrophobicContact CD2-CD1 4.27Å; I111-L115 HydrophobicContact CG2-CD1 4.01Å; I111-L115 HydrophobicContact CG2-CG 4.28Å; I111-L115 WeakPolarHBondContact O-CB 3.32Å; I111-L115 VanDerWaalsContact O-CG 3.24Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 2.84Å; R112-L115 PolarHBondContact O-N 3.18Å
116Q68.1Low71.8Confident126 Ų12691.8 Ų91.859%0.58950%0.498SS*.Hα-helixtrans-76.4-30175.1-71.4176.7-1.900112.5R112 D113 T114R112-Q116 WeakPolarHBondContact O-CG 3.45Å; R112-Q116 PolarHBondContact O-N 2.97Å; D113-Q116 PolarHBondContact O-N 3.28Å; T114-Q116 VanDerWaalsContact C-N 3.29Å; T114-Q116 PolarHBondContact O-N 3.02Å
117N61.1Low71.9Confident127 Ų12793.9 Ų93.968%0.67951%0.506SS*.Hα-helixtrans-97.3-21.9-176-66.9-34.6000114.5D113 T114 C119D113-N117 VanDerWaalsContact O-CB 3.24Å; D113-N117 WeakPolarHBondContact O-CB 3.33Å; D113-N117 PolarHBondContact O-N 3.49Å; D113-N117 PolarHBondContact O-ND2 3.04Å; T114-N117 PolarHBondContact O-N 2.98Å; N117-C119 PolarHBondContact O-N 3.11Å
118C52.8Low72.2Confident90 Ų9094.7 Ų94.761%0.60851%0.51SS*.SBendtrans-75.3-3.5179.1-77.70000114T114T114-C118 WeakPolarHBondContact CG2-SG 3.41Å; T114-C118 WeakPolarHBondContact O-CB 3.45Å; T114-C118 PolarHBondContact O-N 3.07Å; T114-C118 PolarHBondContact O-SG 3.15Å
119C46.6Very low72.5Confident83 Ų8396.6 Ų96.656%0.56153%0.527SS*.  trans-131.795.7173.2-61.50000108N117 L121N117-C119 PolarHBondContact O-N 3.11Å; C119-L121 PolarHBondContact O-N 3.45Å
120P50Low73Confident116 Ų11696 Ų9675%0.75352%0.518SS*.  trans-55106.7136.95.97.9000103.3
121L50.3Low73.4Confident146 Ų14698.8 Ų98.876%0.76453%0.525SS*.  trans-35.2124.7164-79.5152.1000105.9C119 A123C119-L121 PolarHBondContact O-N 3.45Å; L121-A123 WeakPolarHBondContact O-CA 3.43Å; L121-A123 PolarHBondContact O-N 3.37Å
122P52Low73.9Confident117 Ų11796.2 Ų96.276%0.7651%0.512SS*.  trans-45.2116.5-174.215.7-29.4000106.5R124P122-R124 VanDerWaalsContact O-CA 3.28Å; P122-R124 WeakPolarHBondContact O-CA 3.44Å; P122-R124 PolarHBondContact O-N 2.96Å
123A57.4Low74.2Confident75 Ų7596.4 Ų96.462%0.6253%0.526SS*.  trans-42.9108.2-164.400000107.1L121 I125L121-A123 WeakPolarHBondContact O-CA 3.43Å; L121-A123 PolarHBondContact O-N 3.37Å; A123-I125 PolarHBondContact O-N 3.46Å
124R66.5Low74.7Confident238 Ų23893 Ų9390%0.89851%0.509SS*.  trans-62.9110.8-162.1-172.5178.3-178.4-177.4-0.4105.4P122 Q126P122-R124 VanDerWaalsContact O-CA 3.28Å; P122-R124 WeakPolarHBondContact O-CA 3.44Å; P122-R124 PolarHBondContact O-N 2.96Å; R124-Q126 PolarHBondContact O-N 3.09Å
125I79Confident75.4Confident58 Ų5891.1 Ų91.130%0.29750%0.495SS..  trans-52.8118.3-178.2-58.5-178.6000106.6A123 E127 G163 E164 A166A123-I125 PolarHBondContact O-N 3.46Å; I125-E127 PolarHBondContact O-N 3.02Å; I125-E127 VanDerWaalsContact O-N 3.1Å; I125-G163 WeakPolarHBondContact CG1-O 3.3Å; I125-E164 CarbonylContact C-O 3.55Å; I125-E164 WeakPolarHBondContact CA-O 3.49Å; I125-A166 HydrophobicContact CG2-CB 3.72Å
126Q87.4Confident76.3Confident111 Ų11189.4 Ų89.452%0.51949%0.493SS..EExtended strand (participates in β ladder)trans-72.6107.2-179.6-174.8179.136.400107.4R124 I128 E164 Q165 A166R124-Q126 PolarHBondContact O-N 3.09Å; Q126-I128 HydrophobicContact CG-CG1 4.1Å; Q126-E164 PolarHBondContact N-O 2.77Å; Q126-Q165 HydrophobicContact CB-CG 4.31Å; Q126-Q165 WeakPolarHBondContact O-CA 3.41Å; Q126-A166 PolarHBondContact O-N 3.12Å
127E92.2Very high77.3Confident116 Ų11686 Ų8654%0.54249%0.486SS..EExtended strand (participates in β ladder)trans-82.3120.8173.8-65.7-161151.800109.7I125 R157 A166I125-E127 PolarHBondContact O-N 3.02Å; I125-E127 VanDerWaalsContact O-N 3.1Å; E127-R157 IonicContact OE1-CZ 2.68Å; E127-R157 VanDerWaalsContact OE1-CZ 3.29Å; E127-R157 IonicContact OE1-NE 2.99Å; E127-R157 PolarHBondContact OE1-NE 3.08Å; E127-R157 VanDerWaalsContact OE1-NE 3.08Å; E127-R157 IonicContact OE1-NH2 3.01Å; E127-R157 PolarHBondContact OE1-NH2 3.44Å; E127-A166 CarbonylContact C-O 3.58Å; E127-A166 WeakPolarHBondContact CA-O 3.34Å; E127-A166 HydrophobicContact CG-CB 4.38Å
128I94.2Very high78.7Confident50 Ų5081.4 Ų81.426%0.25646%0.461SS..EExtended strand (participates in β ladder)trans-114.1111-178-58.1167.4000106.6Q126 V130 Q165 A166 F167 L168Q126-I128 HydrophobicContact CG-CG1 4.1Å; I128-V130 PolarHBondContact O-N 3.33Å; I128-Q165 HydrophobicContact CD1-CB 4.38Å; I128-Q165 HydrophobicContact CD1-CG 4.32Å; I128-A166 PolarHBondContact N-O 3.45Å; I128-F167 HydrophobicContact CB-CD1 4.04Å; I128-F167 HydrophobicContact CB-CE1 4.34Å; I128-F167 HydrophobicContact CD1-CD1 4.22Å; I128-F167 HydrophobicContact CD1-CE1 3.67Å; I128-F167 HydrophobicContact CD1-CZ 4.22Å; I128-F167 HydrophobicContact CG2-CD1 4.19Å; I128-F167 HydrophobicContact CG2-CE1 4.43Å; I128-F167 CarbonylContact O-C 3.56Å; I128-F167 WeakPolarHBondContact O-CA 3.4Å; I128-L168 PolarHBondContact O-N 3.38Å
129V96.1Very high80.4Confident84 Ų8485.2 Ų85.251%0.50946%0.462SS..EExtended strand (participates in β ladder)trans-75.3119.2170.3-175.90000107.3L135 L168V129-L135 HydrophobicContact CG1-CD2 3.62Å; V129-L168 HydrophobicContact CG2-CD2 4.35Å
130V96.3Very high82.4Confident8 Ų887.8 Ų87.85%0.04847%0.466CS..PPolyproline II helixtrans-86.7128.8178178.60000108I128 T132 F167 L168 L169 L183 A187I128-V130 PolarHBondContact O-N 3.33Å; V130-T132 PolarHBondContact O-N 3.44Å; V130-F167 HydrophobicContact CG2-CB 4Å; V130-F167 HydrophobicContact CG2-CD1 3.95Å; V130-F167 HydrophobicContact CG2-CG 4.44Å; V130-L168 PolarHBondContact N-O 2.85Å; V130-L169 HydrophobicContact CB-CD1 3.72Å; V130-L169 HydrophobicContact CB-CG 3.95Å; V130-L169 HydrophobicContact CG1-CD1 4.43Å; V130-L169 HydrophobicContact CG1-CG 4.35Å; V130-L169 HydrophobicContact CG2-CD1 3.52Å; V130-L169 HydrophobicContact CG2-CG 4.29Å; V130-L183 HydrophobicContact CG1-CB 4.33Å; V130-A187 HydrophobicContact CG1-CB 4.2Å; V130-A187 HydrophobicContact CG2-CB 4.01Å
131E93.1Very high84.2Confident132 Ų13284.8 Ų84.862%0.61744%0.44SS*.PPolyproline II helixtrans-65.3120.7174.8-68.7-62.6159.800109.6
132T93.3Very high85.8Confident5 Ų580.8 Ų80.83%0.03142%0.424CS..  trans-124153.4177.169.60000110V130 T134 L135 A136 L169 M170 M171 L183V130-T132 PolarHBondContact O-N 3.44Å; T132-T134 PolarHBondContact O-N 3.32Å; T132-L135 PolarHBondContact O-N 2.87Å; T132-L135 WeakPolarHBondContact OG1-CB 3.25Å; T132-L135 PolarHBondContact OG1-N 2.96Å; T132-A136 PolarHBondContact O-N 3.04Å; T132-L169 HydrophobicContact CG2-CB 4.49Å; T132-L169 HydrophobicContact CG2-CG 4.48Å; T132-M170 WeakPolarHBondContact CB-O 3.33Å; T132-M170 WeakPolarHBondContact CG2-O 3.3Å; T132-M170 PolarHBondContact OG1-O 3.09Å; T132-M171 HydrophobicContact CG2-CG 4.29Å; T132-L183 HydrophobicContact CG2-CD1 3.92Å
133P90.9Very high87.4Confident104 Ų10482 Ų8268%0.67542%0.42SS*.Hα-helixtrans-55.2-36.8174.5-25.134.1000112.3A136 A137P133-A136 PolarHBondContact O-N 2.96Å; P133-A137 WeakPolarHBondContact O-CB 3.43Å; P133-A137 PolarHBondContact O-N 3.38Å
134T91.9Very high88.8Confident11 Ų1186.6 Ų86.67%0.06743%0.428CS..Hα-helixtrans-66.7-41.4177.1-47.80000112.4T132 E138 L153 Q172T132-T134 PolarHBondContact O-N 3.32Å; T134-E138 WeakPolarHBondContact O-CB 3.21Å; T134-E138 PolarHBondContact O-N 3.31Å; T134-L153 HydrophobicContact CG2-CD1 4.03Å; T134-L153 HydrophobicContact CG2-CD2 3.36Å; T134-L153 HydrophobicContact CG2-CG 4.28Å; T134-Q172 HydrophobicContact CG2-CG 3.93Å
135L91.7Very high89.5Confident36 Ų3677.2 Ų77.219%0.18840%0.399CS..Hα-helixtrans-65.4-41.3177.2-178.563.8000111.3V129 T132 E138 R139 M170V129-L135 HydrophobicContact CG1-CD2 3.62Å; T132-L135 PolarHBondContact O-N 2.87Å; T132-L135 WeakPolarHBondContact OG1-CB 3.25Å; T132-L135 PolarHBondContact OG1-N 2.96Å; L135-E138 PolarHBondContact O-N 3.32Å; L135-R139 PolarHBondContact O-N 3.03Å; L135-R139 VanDerWaalsContact O-N 3.11Å; L135-M170 HydrophobicContact CD1-CE 3.45Å; L135-M170 VanDerWaalsContact CD1-CE 3.45Å; L135-M170 HydrophobicContact CD1-CG 4.36Å
136A91.3Very high89.5Confident45 Ų4579.1 Ų79.137%0.37242%0.416SS..Hα-helixtrans-62.1-49.7175.900000111.6T132 P133 E138 R139 E140T132-A136 PolarHBondContact O-N 3.04Å; P133-A136 PolarHBondContact O-N 2.96Å; A136-E138 VanDerWaalsContact C-N 3.32Å; A136-E138 PolarHBondContact O-N 3.49Å; A136-R139 WeakPolarHBondContact O-CB 3.21Å; A136-R139 PolarHBondContact O-N 3.44Å; A136-R139 VanDerWaalsContact O-N 3.15Å; A136-E140 PolarHBondContact O-N 3.44Å; A136-E140 VanDerWaalsContact O-N 3.09Å
137A90.3Very high89.1Confident54 Ų5481.4 Ų81.445%0.44643%0.431SS..Hα-helixtrans-60.6-39.5178.100000112.5P133 R139 E140 R141P133-A137 WeakPolarHBondContact O-CB 3.43Å; P133-A137 PolarHBondContact O-N 3.38Å; A137-R139 VanDerWaalsContact C-N 3.31Å; A137-R139 PolarHBondContact O-N 3.22Å; A137-E140 PolarHBondContact O-N 3.47Å; A137-R141 WeakPolarHBondContact O-CB 3.15Å; A137-R141 PolarHBondContact O-N 3.47Å
138E88.6Confident88.7Confident31 Ų3179.3 Ų79.315%0.14543%0.426CS..Hα-helixtrans-67.1-33.5177.8-17262.3-172.300112.2T134 L135 A136 R141 S142 P151 L153 M170T134-E138 WeakPolarHBondContact O-CB 3.21Å; T134-E138 PolarHBondContact O-N 3.31Å; L135-E138 PolarHBondContact O-N 3.32Å; A136-E138 VanDerWaalsContact C-N 3.32Å; A136-E138 PolarHBondContact O-N 3.49Å; E138-R141 WeakPolarHBondContact OE2-CD 3.43Å; E138-S142 VanDerWaalsContact O-CB 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.37Å; E138-S142 PolarHBondContact O-OG 3.03Å; E138-P151 WeakPolarHBondContact OE2-CD 3.2Å; E138-P151 WeakPolarHBondContact OE2-CG 3.34Å; E138-L153 HydrophobicContact CB-CD1 4.43Å; E138-L153 HydrophobicContact CG-CD1 4.27Å; E138-M170 HydrophobicContact CB-CE 4.46Å; E138-M170 HydrophobicContact CG-CE 4.36Å
139R89.5Confident88.1Confident170 Ų17082.3 Ų82.364%0.64245%0.449SS*.Hα-helixtrans-67.8-45.3175.5-173.4178.2-177.6167.80.3111.9L135 A136 A137 S142 Q143L135-R139 PolarHBondContact O-N 3.03Å; L135-R139 VanDerWaalsContact O-N 3.11Å; A136-R139 WeakPolarHBondContact O-CB 3.21Å; A136-R139 PolarHBondContact O-N 3.44Å; A136-R139 VanDerWaalsContact O-N 3.15Å; A137-R139 VanDerWaalsContact C-N 3.31Å; A137-R139 PolarHBondContact O-N 3.22Å; R139-S142 PolarHBondContact O-N 3.06Å; R139-Q143 WeakPolarHBondContact O-CG 3.3Å; R139-Q143 PolarHBondContact O-N 3.29Å
140E88.2Confident87.4Confident136 Ų13681.6 Ų81.664%0.63645%0.452SS*.Hα-helixtrans-62-49176.2-69.8-179163.200110.9A136 A137 S142 Q143 E144A136-E140 PolarHBondContact O-N 3.44Å; A136-E140 VanDerWaalsContact O-N 3.09Å; A137-E140 PolarHBondContact O-N 3.47Å; E140-S142 VanDerWaalsContact C-N 3.32Å; E140-S142 PolarHBondContact O-N 2.94Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 2.9Å; E140-E144 PolarHBondContact O-N 3.46Å
141R87.3Confident86.9Confident53 Ų5383 Ų8320%0.246%0.461CS..Hα-helixtrans-56.3-44.7176.9-178.3-153.7162.5138.79.3112.5A137 E138 Q143 E144 S145 T148 P149 P151A137-R141 WeakPolarHBondContact O-CB 3.15Å; A137-R141 PolarHBondContact O-N 3.47Å; E138-R141 WeakPolarHBondContact OE2-CD 3.43Å; R141-Q143 PolarHBondContact O-N 3.07Å; R141-E144 PolarHBondContact O-N 3Å; R141-S145 CarbonylContact O-C 3.4Å; R141-S145 PolarHBondContact O-N 3.17Å; R141-T148 VanDerWaalsContact NH2-CB 3.26Å; R141-T148 PolarHBondContact NH2-O 3.15Å; R141-P149 PolarHBondContact NH1-O 3.46Å; R141-P149 PolarHBondContact NH2-O 2.86Å; R141-P151 VanDerWaalsContact NH1-N 3.16Å
142S84.7Confident86.7Confident63 Ų6381.6 Ų81.644%0.44146%0.464SS..Hα-helixtrans-63.5-27.7179.1-64.30000112.7E138 R139 E140E138-S142 VanDerWaalsContact O-CB 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.37Å; E138-S142 PolarHBondContact O-OG 3.03Å; R139-S142 PolarHBondContact O-N 3.06Å; E140-S142 VanDerWaalsContact C-N 3.32Å; E140-S142 PolarHBondContact O-N 2.94Å
143Q85.1Confident86.8Confident142 Ų14282.9 Ų82.966%0.66447%0.47SS*.Hα-helixtrans-80.1-42.5175.1-69176.310.200112R139 E140 R141R139-Q143 WeakPolarHBondContact O-CG 3.3Å; R139-Q143 PolarHBondContact O-N 3.29Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 2.9Å; R141-Q143 PolarHBondContact O-N 3.07Å
144E87.5Confident87.1Confident171 Ų17178 Ų7880%0.79944%0.438SS*.Hα-helixtrans-76.8-41.1-176-172.6174.5-170.200112.8E140 R141E140-E144 PolarHBondContact O-N 3.46Å; R141-E144 PolarHBondContact O-N 3Å
145S81.4Confident87.3Confident41 Ų4180.4 Ų80.429%0.28745%0.45SS..  trans-143.675.7-173.564.30000112.4R141 N147 T148R141-S145 CarbonylContact O-C 3.4Å; R141-S145 PolarHBondContact O-N 3.17Å; S145-N147 PolarHBondContact O-N 3.2Å; S145-T148 VanDerWaalsContact CB-OG1 3.25Å; S145-T148 WeakPolarHBondContact CB-OG1 3.16Å; S145-T148 PolarHBondContact O-N 3.47Å; S145-T148 VanDerWaalsContact O-N 3.15Å; S145-T148 PolarHBondContact O-OG1 3.13Å; S145-T148 PolarHBondContact OG-OG1 2.99Å; S145-T148 VanDerWaalsContact OG-OG1 3.04Å
146P78Confident87.6Confident99 Ų9978.7 Ų78.764%0.64344%0.441SS*.THydrogen-bonded Turntrans-63.3-18.3-175.922.9-33.3000114.4
147N80.4Confident87.9Confident159 Ų15980.4 Ų80.485%0.8544%0.438SS*.THydrogen-bonded Turntrans-90.2-5.8-179.1-65.9-42.6000113.9S145S145-N147 PolarHBondContact O-N 3.2Å
148T82.3Confident88.3Confident71 Ų7177.9 Ų77.944%0.43642%0.416SS..SBendtrans-81132.7-178.5-45.50000109.7R141 S145 A150R141-T148 VanDerWaalsContact NH2-CB 3.26Å; R141-T148 PolarHBondContact NH2-O 3.15Å; S145-T148 VanDerWaalsContact CB-OG1 3.25Å; S145-T148 WeakPolarHBondContact CB-OG1 3.16Å; S145-T148 PolarHBondContact O-N 3.47Å; S145-T148 VanDerWaalsContact O-N 3.15Å; S145-T148 PolarHBondContact O-OG1 3.13Å; S145-T148 PolarHBondContact OG-OG1 2.99Å; S145-T148 VanDerWaalsContact OG-OG1 3.04Å; T148-A150 PolarHBondContact O-N 3.46Å
149P82.5Confident88.6Confident114 Ų11479.9 Ų79.974%0.7442%0.424SS*.PPolyproline II helixtrans-63.1119-177.7-22.432.2000114.4R141R141-P149 PolarHBondContact NH1-O 3.46Å; R141-P149 PolarHBondContact NH2-O 2.86Å
150A81.4Confident88.8Confident68 Ų6872.1 Ų72.156%0.56240%0.396SS*.PPolyproline II helixtrans-49.1143.9-175.600000112.9T148T148-A150 PolarHBondContact O-N 3.46Å
151P85.7Confident89Confident38 Ų3869.4 Ų69.425%0.24738%0.384CS..PPolyproline II helixtrans-70156.2-178.920.5-5.7000109.5E138 R141 L153E138-P151 WeakPolarHBondContact OE2-CD 3.2Å; E138-P151 WeakPolarHBondContact OE2-CG 3.34Å; R141-P151 VanDerWaalsContact NH1-N 3.16Å; P151-L153 HydrophobicContact CB-CD2 4.35Å; P151-L153 HydrophobicContact CG-CD2 4.09Å; P151-L153 HydrophobicContact CG-CG 4.31Å; P151-L153 PolarHBondContact O-N 2.74Å
152P89.8Confident88.9Confident103 Ų10371.3 Ų71.367%0.66940%0.398SS*.  trans-69.6100.3175.328.7-32.8000109.8P173P152-P173 VanDerWaalsContact O-CD 3.26Å; P152-P173 WeakPolarHBondContact O-CD 3.35Å; P152-P173 WeakPolarHBondContact O-CG 3.5Å
153L94.2Very high88.8Confident32 Ų3269.8 Ų69.817%0.16839%0.392CS..  trans-99.5157.6178.3-59.2-174.5000111.9T134 E138 P151 M170T134-L153 HydrophobicContact CG2-CD1 4.03Å; T134-L153 HydrophobicContact CG2-CD2 3.36Å; T134-L153 HydrophobicContact CG2-CG 4.28Å; E138-L153 HydrophobicContact CB-CD1 4.43Å; E138-L153 HydrophobicContact CG-CD1 4.27Å; P151-L153 HydrophobicContact CB-CD2 4.35Å; P151-L153 HydrophobicContact CG-CD2 4.09Å; P151-L153 HydrophobicContact CG-CG 4.31Å; P151-L153 PolarHBondContact O-N 2.74Å; L153-M170 HydrophobicContact CD1-CE 3.81Å; L153-M170 HydrophobicContact CD1-SD 4.35Å
154S96.7Very high88.9Confident0 Ų068.4 Ų68.40%039%0.386CS..EExtended strand (participates in β ladder)trans-103.5130.7170.3-1640000110.9M170 M171 L218 P220S154-M170 WeakPolarHBondContact O-CA 3.46Å; S154-M171 PolarHBondContact N-O 3.08Å; S154-M171 PolarHBondContact O-N 3.29Å; S154-L218 PolarHBondContact OG-O 3.19Å; S154-P220 CarbonylContact C-O 3.48Å; S154-P220 WeakPolarHBondContact CA-O 3.48Å
155M97Very high89.2Confident63 Ų6363.2 Ų63.231%0.3136%0.362SS..EExtended strand (participates in β ladder)trans-109.1111.9177.3-178.9179-73.300110.8L168 M170 P220 K221 A222M155-L168 HydrophobicContact CG-CD1 3.62Å; M155-L168 HydrophobicContact SD-CD1 3.98Å; M155-M170 HydrophobicContact CE-SD 4.26Å; M155-P220 PolarHBondContact N-O 3.45Å; M155-K221 HydrophobicContact CB-CG 4.43Å; M155-K221 VanDerWaalsContact O-CA 3.27Å; M155-K221 WeakPolarHBondContact O-CA 3.24Å; M155-A222 PolarHBondContact O-N 2.96Å
156L97.9Very high89.8Confident0 Ų061.3 Ų61.30%035%0.348CS..EExtended strand (participates in β ladder)trans-104125.8178.5-49178.1000110I158 L168 L169 M171 V180 L213 L218 A222L156-I158 HydrophobicContact CB-CD1 3.58Å; L156-I158 HydrophobicContact CB-CG1 4.39Å; L156-L168 WeakPolarHBondContact O-CA 3.39Å; L156-L169 HydrophobicContact CB-CB 4.31Å; L156-L169 PolarHBondContact N-O 3.02Å; L156-L169 PolarHBondContact O-N 3.25Å; L156-M171 HydrophobicContact CD1-SD 4.23Å; L156-V180 HydrophobicContact CD1-CG1 4.21Å; L156-V180 HydrophobicContact CD1-CG2 3.68Å; L156-L213 HydrophobicContact CD1-CD1 4.04Å; L156-L213 HydrophobicContact CD1-CD2 3.91Å; L156-L218 HydrophobicContact CD2-CB 3.92Å; L156-A222 HydrophobicContact CD2-CB 3.9Å
157R97.4Very high90.7Very high81 Ų8156.7 Ų56.731%0.30632%0.318SS..EExtended strand (participates in β ladder)trans-109.7107.9170.4-172.6179.8-173.6-135.24.9109.3E127 A166 F167 L168 A222 A223 L224E127-R157 IonicContact OE1-CZ 2.68Å; E127-R157 VanDerWaalsContact OE1-CZ 3.29Å; E127-R157 IonicContact OE1-NE 2.99Å; E127-R157 PolarHBondContact OE1-NE 3.08Å; E127-R157 VanDerWaalsContact OE1-NE 3.08Å; E127-R157 IonicContact OE1-NH2 3.01Å; E127-R157 PolarHBondContact OE1-NH2 3.44Å; R157-A166 HydrophobicContact CG-CB 4.37Å; R157-F167 WeakPolarHBondContact CA-O 3.5Å; R157-L168 HydrophobicContact CB-CD1 4.45Å; R157-A222 PolarHBondContact N-O 2.95Å; R157-A223 CarbonylContact O-C 3.57Å; R157-A223 WeakPolarHBondContact O-CA 3.09Å; R157-L224 PolarHBondContact O-N 3.46Å
158I97.8Very high91.5Very high0 Ų051.1 Ų51.10%029%0.288CS..EExtended strand (participates in β ladder)trans-110.9115.9-173.4-56.1103.9000109.9L156 A166 F167 L169 L184 L224 L226L156-I158 HydrophobicContact CB-CD1 3.58Å; L156-I158 HydrophobicContact CB-CG1 4.39Å; I158-A166 CarbonylContact O-C 3.53Å; I158-A166 WeakPolarHBondContact O-CA 3.23Å; I158-F167 HydrophobicContact CB-CB 4.49Å; I158-F167 PolarHBondContact N-O 2.88Å; I158-F167 PolarHBondContact O-N 3.22Å; I158-L169 HydrophobicContact CD1-CD1 3.75Å; I158-L169 HydrophobicContact CD1-CD2 4.22Å; I158-L169 HydrophobicContact CD1-CG 4.38Å; I158-L184 HydrophobicContact CG2-CD1 4.19Å; I158-L224 CarbonylContact C-O 3.5Å; I158-L224 WeakPolarHBondContact CA-O 3.32Å; I158-L224 HydrophobicContact CB-CB 4.47Å; I158-L224 HydrophobicContact CG1-CB 3.92Å; I158-L224 HydrophobicContact CG1-CD1 4.21Å; I158-L224 HydrophobicContact CG2-CB 4.37Å; I158-L226 HydrophobicContact CG2-CD1 4.15Å; I158-L226 HydrophobicContact CG2-CD2 3.52Å; I158-L226 HydrophobicContact CG2-CG 3.57Å
159K96.4Very high92.3Very high73 Ų7347.8 Ų47.832%0.31727%0.268SS..EExtended strand (participates in β ladder)trans-87.2141.8178.4-59.2-178.8174.7-177.60111.7Q165 A166 L224 L225 L226K159-Q165 WeakPolarHBondContact CA-O 3.23Å; K159-A166 HydrophobicContact CG-CB 4.38Å; K159-L224 PolarHBondContact N-O 2.94Å; K159-L225 HydrophobicContact CB-CD2 3.76Å; K159-L225 HydrophobicContact CD-CD2 3.95Å; K159-L225 HydrophobicContact CG-CD2 4.18Å; K159-L226 PolarHBondContact O-N 2.99Å
160S94.1Very high92.9Very high7 Ų744.1 Ų44.15%0.04924%0.241CC..  trans-66.5166.6173.460.30000112.5N162 G163 E164 Q165S160-N162 PolarHBondContact O-N 2.75Å; S160-N162 PolarHBondContact OG-OD1 3.03Å; S160-G163 PolarHBondContact O-N 2.83Å; S160-E164 PolarHBondContact OG-N 3.42Å; S160-Q165 PolarHBondContact N-O 2.82Å; S160-Q165 PolarHBondContact OG-N 3.31Å; S160-Q165 PolarHBondContact OG-O 3.44Å
161E91.9Very high93.7Very high79 Ų7941.1 Ų41.137%0.36922%0.215SC..THydrogen-bonded Turntrans-59.6-33.9-177.4-56.684.616700112.7R188 L226E161-R188 IonicContact OE1-CZ 3.29Å; E161-R188 IonicContact OE1-NH1 3.08Å; E161-R188 PolarHBondContact OE1-NH1 3.04Å; E161-R188 IonicContact OE1-NH2 2.74Å; E161-R188 PolarHBondContact OE1-NH2 2.64Å; E161-R188 IonicContact OE2-CZ 2.81Å; E161-R188 IonicContact OE2-NH2 3.18Å; E161-R188 PolarHBondContact OE2-NH2 3.39Å; E161-L226 HydrophobicContact CG-CB 4.23Å
162N84.3Confident94.2Very high93 Ų9342.2 Ų42.250%0.49722%0.217SC..THydrogen-bonded Turntrans-91.7-5.2178.264.2-0.6000113.4S160 E164S160-N162 PolarHBondContact O-N 2.75Å; S160-N162 PolarHBondContact OG-OD1 3.03Å; N162-E164 HydrophobicContact CB-CG 4.23Å; N162-E164 VanDerWaalsContact ND2-CD 3.27Å; N162-E164 PolarHBondContact ND2-OE2 3.46Å; N162-E164 PolarHBondContact O-N 3.27Å; N162-E164 WeakPolarHBondContact OD1-CB 3.34Å; N162-E164 PolarHBondContact OD1-N 3.07Å; N162-E164 VanDerWaalsContact OD1-N 3.08Å
163G83.9Confident94.5Very high32 Ų3238.1 Ų38.133%0.3319%0.191SC..SBendtrans69.97.1-177.700000115.2I125 S160I125-G163 WeakPolarHBondContact CG1-O 3.3Å; S160-G163 PolarHBondContact O-N 2.83Å
164E86.7Confident94.7Very high113 Ų11341.7 Ų41.753%0.52821%0.21SC..SBendtrans-83.3-23.3-178.9-62.9-178.6164.700112.8I125 Q126 S160 N162I125-E164 CarbonylContact C-O 3.55Å; I125-E164 WeakPolarHBondContact CA-O 3.49Å; Q126-E164 PolarHBondContact N-O 2.77Å; S160-E164 PolarHBondContact OG-N 3.42Å; N162-E164 HydrophobicContact CB-CG 4.23Å; N162-E164 VanDerWaalsContact ND2-CD 3.27Å; N162-E164 PolarHBondContact ND2-OE2 3.46Å; N162-E164 PolarHBondContact O-N 3.27Å; N162-E164 WeakPolarHBondContact OD1-CB 3.34Å; N162-E164 PolarHBondContact OD1-N 3.07Å; N162-E164 VanDerWaalsContact OD1-N 3.08Å
165Q92.8Very high94.7Very high61 Ų6143.5 Ų43.529%0.28522%0.22SC..EExtended strand (participates in β ladder)trans-123.2147.8-179.2-63.2179.7-31.600110.9Q126 I128 K159 S160 F167Q126-Q165 HydrophobicContact CB-CG 4.31Å; Q126-Q165 WeakPolarHBondContact O-CA 3.41Å; I128-Q165 HydrophobicContact CD1-CB 4.38Å; I128-Q165 HydrophobicContact CD1-CG 4.32Å; K159-Q165 WeakPolarHBondContact CA-O 3.23Å; S160-Q165 PolarHBondContact N-O 2.82Å; S160-Q165 PolarHBondContact OG-N 3.31Å; S160-Q165 PolarHBondContact OG-O 3.44Å; Q165-F167 HydrophobicContact CB-CE2 4.36Å; Q165-F167 HydrophobicContact CB-CZ 4.38Å
166A95.2Very high94.7Very high1 Ų142 Ų421%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-133124.116900000110.2I125 Q126 E127 I128 R157 I158 K159I125-A166 HydrophobicContact CG2-CB 3.72Å; Q126-A166 PolarHBondContact O-N 3.12Å; E127-A166 CarbonylContact C-O 3.58Å; E127-A166 WeakPolarHBondContact CA-O 3.34Å; E127-A166 HydrophobicContact CG-CB 4.38Å; I128-A166 PolarHBondContact N-O 3.45Å; R157-A166 HydrophobicContact CG-CB 4.37Å; I158-A166 CarbonylContact O-C 3.53Å; I158-A166 WeakPolarHBondContact O-CA 3.23Å; K159-A166 HydrophobicContact CG-CB 4.38Å
167F97.5Very high94.7Very high3 Ų342 Ų421%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-91.4126.3176.7-56-84.3000109.3I128 V130 R157 I158 Q165 L169 L184 R188 L226I128-F167 HydrophobicContact CB-CD1 4.04Å; I128-F167 HydrophobicContact CB-CE1 4.34Å; I128-F167 HydrophobicContact CD1-CD1 4.22Å; I128-F167 HydrophobicContact CD1-CE1 3.67Å; I128-F167 HydrophobicContact CD1-CZ 4.22Å; I128-F167 HydrophobicContact CG2-CD1 4.19Å; I128-F167 HydrophobicContact CG2-CE1 4.43Å; I128-F167 CarbonylContact O-C 3.56Å; I128-F167 WeakPolarHBondContact O-CA 3.4Å; V130-F167 HydrophobicContact CG2-CB 4Å; V130-F167 HydrophobicContact CG2-CD1 3.95Å; V130-F167 HydrophobicContact CG2-CG 4.44Å; R157-F167 WeakPolarHBondContact CA-O 3.5Å; I158-F167 HydrophobicContact CB-CB 4.49Å; I158-F167 PolarHBondContact N-O 2.88Å; I158-F167 PolarHBondContact O-N 3.22Å; Q165-F167 HydrophobicContact CB-CE2 4.36Å; Q165-F167 HydrophobicContact CB-CZ 4.38Å; F167-L169 HydrophobicContact CB-CD1 3.79Å; F167-L184 HydrophobicContact CB-CD2 3.66Å; F167-L184 HydrophobicContact CD1-CD2 4.36Å; F167-L184 HydrophobicContact CD2-CD2 3.9Å; F167-L184 HydrophobicContact CG-CD2 3.7Å; F167-R188 HydrophobicContact CE1-CG 3.91Å; F167-R188 HydrophobicContact CE2-CG 4.22Å; F167-R188 HydrophobicContact CZ-CG 3.55Å; F167-L226 HydrophobicContact CE2-CD1 4.39Å
168L97.4Very high94.7Very high42 Ų4239 Ų3922%0.2221%0.208CC..EExtended strand (participates in β ladder)trans-104.8115175.8-173.168.4000109I128 V129 V130 M155 L156 R157I128-L168 PolarHBondContact O-N 3.38Å; V129-L168 HydrophobicContact CG2-CD2 4.35Å; V130-L168 PolarHBondContact N-O 2.85Å; M155-L168 HydrophobicContact CG-CD1 3.62Å; M155-L168 HydrophobicContact SD-CD1 3.98Å; L156-L168 WeakPolarHBondContact O-CA 3.39Å; R157-L168 HydrophobicContact CB-CD1 4.45Å
169L97.7Very high94.7Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-114.3128178.9-75.963.3000108.7V130 T132 L156 I158 F167 M171 V180 L183 L184V130-L169 HydrophobicContact CB-CD1 3.72Å; V130-L169 HydrophobicContact CB-CG 3.95Å; V130-L169 HydrophobicContact CG1-CD1 4.43Å; V130-L169 HydrophobicContact CG1-CG 4.35Å; V130-L169 HydrophobicContact CG2-CD1 3.52Å; V130-L169 HydrophobicContact CG2-CG 4.29Å; T132-L169 HydrophobicContact CG2-CB 4.49Å; T132-L169 HydrophobicContact CG2-CG 4.48Å; L156-L169 HydrophobicContact CB-CB 4.31Å; L156-L169 PolarHBondContact N-O 3.02Å; L156-L169 PolarHBondContact O-N 3.25Å; I158-L169 HydrophobicContact CD1-CD1 3.75Å; I158-L169 HydrophobicContact CD1-CD2 4.22Å; I158-L169 HydrophobicContact CD1-CG 4.38Å; F167-L169 HydrophobicContact CB-CD1 3.79Å; L169-M171 HydrophobicContact CB-CG 4.24Å; L169-M171 HydrophobicContact CB-SD 4.2Å; L169-M171 HydrophobicContact CD2-SD 3.95Å; L169-V180 HydrophobicContact CD2-CG1 4.04Å; L169-L183 HydrophobicContact CD2-CB 4.18Å; L169-L183 HydrophobicContact CD2-CD1 4.24Å; L169-L184 HydrophobicContact CD1-CD2 4.18Å; L169-L184 HydrophobicContact CD2-CG 4.44Å
170M96.1Very high94.8Very high38 Ų3838.9 Ų38.919%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-101.7123.5165.4-66.9-137.6-52.400109T132 L135 E138 L153 S154 M155T132-M170 WeakPolarHBondContact CB-O 3.33Å; T132-M170 WeakPolarHBondContact CG2-O 3.3Å; T132-M170 PolarHBondContact OG1-O 3.09Å; L135-M170 HydrophobicContact CD1-CE 3.45Å; L135-M170 VanDerWaalsContact CD1-CE 3.45Å; L135-M170 HydrophobicContact CD1-CG 4.36Å; E138-M170 HydrophobicContact CB-CE 4.46Å; E138-M170 HydrophobicContact CG-CE 4.36Å; L153-M170 HydrophobicContact CD1-CE 3.81Å; L153-M170 HydrophobicContact CD1-SD 4.35Å; S154-M170 WeakPolarHBondContact O-CA 3.46Å; M155-M170 HydrophobicContact CE-SD 4.26Å
171M96.6Very high95Very high4 Ų439.1 Ų39.12%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-142.5160.4-172.5-63.9-175.17600110.7T132 S154 L156 L169 N175 D179 V180 L183 L213T132-M171 HydrophobicContact CG2-CG 4.29Å; S154-M171 PolarHBondContact N-O 3.08Å; S154-M171 PolarHBondContact O-N 3.29Å; L156-M171 HydrophobicContact CD1-SD 4.23Å; L169-M171 HydrophobicContact CB-CG 4.24Å; L169-M171 HydrophobicContact CB-SD 4.2Å; L169-M171 HydrophobicContact CD2-SD 3.95Å; M171-N175 HydrophobicContact CB-CB 4.45Å; M171-N175 WeakPolarHBondContact CB-OD1 3.44Å; M171-N175 HydrophobicContact CE-CB 3.74Å; M171-D179 HydrophobicContact CE-CB 3.77Å; M171-V180 HydrophobicContact CE-CG2 4.14Å; M171-V180 HydrophobicContact SD-CG2 3.72Å; M171-L183 HydrophobicContact CE-CD1 3.54Å; M171-L183 HydrophobicContact SD-CD1 3.84Å; M171-L213 HydrophobicContact CB-CD1 3.7Å; M171-L213 HydrophobicContact SD-CD1 4.4Å
172Q96.5Very high95.2Very high61 Ų6138 Ų3829%0.28522%0.216SC..  trans-76.6150.5173.8-66.1-71-2.100111T134 D174 N175T134-Q172 HydrophobicContact CG2-CG 3.93Å; Q172-D174 WeakPolarHBondContact CB-OD1 3.49Å; Q172-D174 PolarHBondContact O-N 3.08Å; Q172-N175 PolarHBondContact N-OD1 3.04Å; Q172-N175 WeakPolarHBondContact O-CB 3.39Å; Q172-N175 PolarHBondContact O-N 2.9Å; Q172-N175 VanDerWaalsContact O-N 3.1Å
173P97.3Very high95.8Very high18 Ų1834.7 Ų34.712%0.11720%0.197CC..THydrogen-bonded Turntrans-58-26.1179.1-27.836.9000115.2P152 L213 Q214 V219P152-P173 VanDerWaalsContact O-CD 3.26Å; P152-P173 WeakPolarHBondContact O-CD 3.35Å; P152-P173 WeakPolarHBondContact O-CG 3.5Å; P173-L213 PolarHBondContact O-N 2.78Å; P173-Q214 HydrophobicContact CB-CB 4.14Å; P173-Q214 WeakPolarHBondContact O-CB 3.24Å; P173-Q214 PolarHBondContact O-N 3.15Å; P173-V219 HydrophobicContact CB-CG2 3.98Å; P173-V219 HydrophobicContact CG-CG1 4.37Å; P173-V219 HydrophobicContact CG-CG2 4.47Å
174D96.8Very high96.4Very high107 Ų10733.1 Ų33.157%0.57218%0.182SC*.THydrogen-bonded Turntrans-86.3-11.3179.763.7-22.2000113.7Q172Q172-D174 WeakPolarHBondContact CB-OD1 3.49Å; Q172-D174 PolarHBondContact O-N 3.08Å
175N97.2Very high96.8Very high37 Ų3728.3 Ų28.320%0.19816%0.161CC..  trans-63.4156.1172.2-62153.6000111.1M171 Q172 T212 L213M171-N175 HydrophobicContact CB-CB 4.45Å; M171-N175 WeakPolarHBondContact CB-OD1 3.44Å; M171-N175 HydrophobicContact CE-CB 3.74Å; Q172-N175 PolarHBondContact N-OD1 3.04Å; Q172-N175 WeakPolarHBondContact O-CB 3.39Å; Q172-N175 PolarHBondContact O-N 2.9Å; Q172-N175 VanDerWaalsContact O-N 3.1Å; N175-T212 CarbonylContact O-C 3.58Å; N175-T212 VanDerWaalsContact O-CA 3.28Å; N175-T212 WeakPolarHBondContact O-CA 3.14Å; N175-L213 HydrophobicContact CB-CD1 4.44Å; N175-L213 WeakPolarHBondContact O-CG 3.32Å; N175-L213 PolarHBondContact O-N 3.5Å
176T98.1Very high96.9Very high32 Ų3232.4 Ų32.420%0.19618%0.18CC..BIsolated β-bridgetrans-102.6161.4-17167.70000112.8G178 D179 V180 D209 L211T176-G178 PolarHBondContact O-N 3.13Å; T176-G178 PolarHBondContact OG1-N 2.99Å; T176-D179 PolarHBondContact N-OD2 3.27Å; T176-D179 WeakPolarHBondContact O-CB 3.26Å; T176-D179 PolarHBondContact O-N 3.32Å; T176-D179 VanDerWaalsContact O-N 3.15Å; T176-D179 PolarHBondContact OG1-N 3.25Å; T176-D179 PolarHBondContact OG1-OD2 3.14Å; T176-V180 PolarHBondContact O-N 3.07Å; T176-D209 VanDerWaalsContact CB-O 3.29Å; T176-D209 WeakPolarHBondContact CB-O 3.35Å; T176-D209 PolarHBondContact OG1-O 3.19Å; T176-L211 CarbonylContact C-O 3.49Å; T176-L211 VanDerWaalsContact CA-O 3.28Å; T176-L211 WeakPolarHBondContact CA-O 3.46Å
177I98.1Very high96.9Very high1 Ų134.5 Ų34.51%0.00520%0.198CC..Hα-helixtrans-58.6-33.8169.5-63.7-60000111D179 V180 R181 Y206 D208 L211 L213 A216 L218I177-D179 VanDerWaalsContact C-N 3.33Å; I177-D179 PolarHBondContact O-N 3.4Å; I177-V180 WeakPolarHBondContact O-CB 3.1Å; I177-V180 PolarHBondContact O-N 2.84Å; I177-R181 PolarHBondContact O-N 2.85Å; I177-Y206 HydrophobicContact CD1-CD1 3.94Å; I177-Y206 HydrophobicContact CD1-CG 4.15Å; I177-Y206 HydrophobicContact CG1-CD1 4.35Å; I177-D208 WeakPolarHBondContact CB-O 3.24Å; I177-L211 HydrophobicContact CG1-CB 4.13Å; I177-L211 WeakPolarHBondContact CG1-O 3.25Å; I177-L211 PolarHBondContact N-O 3.3Å; I177-L213 HydrophobicContact CD1-CD2 4.17Å; I177-A216 HydrophobicContact CD1-CB 4.3Å; I177-L218 HydrophobicContact CD1-CD1 3.62Å
178G97.5Very high96.7Very high17 Ų1736.5 Ų36.518%0.17521%0.205CC..Hα-helixtrans-59.5-42.4173.800000112.5T176 R181 A182 D209T176-G178 PolarHBondContact O-N 3.13Å; T176-G178 PolarHBondContact OG1-N 2.99Å; G178-R181 WeakPolarHBondContact O-CB 3.34Å; G178-R181 PolarHBondContact O-N 3.43Å; G178-A182 WeakPolarHBondContact O-CB 3.48Å; G178-A182 PolarHBondContact O-N 3.17Å; G178-D209 WeakPolarHBondContact CA-O 3.36Å; G178-D209 PolarHBondContact N-O 2.92Å
179D97.6Very high96.5Very high69 Ų6941 Ų4137%0.36923%0.234SC..Hα-helixtrans-63.5-44.1175.9-57.9-46000111.3M171 T176 I177 R181 A182 L183M171-D179 HydrophobicContact CE-CB 3.77Å; T176-D179 PolarHBondContact N-OD2 3.27Å; T176-D179 WeakPolarHBondContact O-CB 3.26Å; T176-D179 PolarHBondContact O-N 3.32Å; T176-D179 VanDerWaalsContact O-N 3.15Å; T176-D179 PolarHBondContact OG1-N 3.25Å; T176-D179 PolarHBondContact OG1-OD2 3.14Å; I177-D179 VanDerWaalsContact C-N 3.33Å; I177-D179 PolarHBondContact O-N 3.4Å; D179-R181 VanDerWaalsContact C-N 3.28Å; D179-R181 PolarHBondContact O-N 2.82Å; D179-A182 PolarHBondContact O-N 3.23Å; D179-L183 WeakPolarHBondContact O-CB 3.49Å; D179-L183 VanDerWaalsContact O-CG 3.29Å; D179-L183 WeakPolarHBondContact O-CG 3.4Å; D179-L183 PolarHBondContact O-N 3.14Å
180V97.8Very high96.3Very high2 Ų245.1 Ų45.11%0.01225%0.254CS..Hα-helixtrans-57.2-45.3174.8-178.70000110.4L156 L169 M171 T176 I177 L183 L184 I197 L213L156-V180 HydrophobicContact CD1-CG1 4.21Å; L156-V180 HydrophobicContact CD1-CG2 3.68Å; L169-V180 HydrophobicContact CD2-CG1 4.04Å; M171-V180 HydrophobicContact CE-CG2 4.14Å; M171-V180 HydrophobicContact SD-CG2 3.72Å; T176-V180 PolarHBondContact O-N 3.07Å; I177-V180 WeakPolarHBondContact O-CB 3.1Å; I177-V180 PolarHBondContact O-N 2.84Å; V180-L183 PolarHBondContact O-N 2.96Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.49Å; V180-L184 WeakPolarHBondContact O-CB 3.18Å; V180-L184 VanDerWaalsContact O-CG 3.29Å; V180-L184 WeakPolarHBondContact O-CG 3.16Å; V180-L184 PolarHBondContact O-N 3.1Å; V180-I197 HydrophobicContact CG1-CD1 4.09Å; V180-L213 HydrophobicContact CG2-CD2 3.77Å
181R97.4Very high96.1Very high12 Ų1248 Ų485%0.04527%0.271CS..Hα-helixtrans-63.9-44.5-179.6-166-170.2-60.1-70.7-5.6111.4I177 G178 D179 L184 A185 A192 F195 I197 Y206 D209I177-R181 PolarHBondContact O-N 2.85Å; G178-R181 WeakPolarHBondContact O-CB 3.34Å; G178-R181 PolarHBondContact O-N 3.43Å; D179-R181 VanDerWaalsContact C-N 3.28Å; D179-R181 PolarHBondContact O-N 2.82Å; R181-L184 PolarHBondContact O-N 3.44Å; R181-A185 VanDerWaalsContact O-CB 3.29Å; R181-A185 WeakPolarHBondContact O-CB 3.49Å; R181-A185 PolarHBondContact O-N 3.25Å; R181-A192 WeakPolarHBondContact CD-O 3.38Å; R181-A192 HydrophobicContact CG-CB 3.89Å; R181-F195 HydrophobicContact CG-CE2 4.2Å; R181-F195 HydrophobicContact CG-CZ 4.28Å; R181-I197 HydrophobicContact CB-CD1 4.24Å; R181-Y206 PolarHBondContact NH2-O 2.89Å; R181-D209 IonicContact CZ-OD1 3.8Å; R181-D209 IonicContact NE-OD1 3.44Å; R181-D209 PolarHBondContact NE-OD1 3.07Å; R181-D209 IonicContact NE-OD2 2.68Å; R181-D209 IonicContact NH2-OD1 2.89Å; R181-D209 PolarHBondContact NH2-OD1 3.08Å
182A96.6Very high95.9Very high56 Ų5649.3 Ų49.346%0.46328%0.282SS..Hα-helixtrans-63.2-44.6178.100000112.1G178 D179 L184 A185 Q186G178-A182 WeakPolarHBondContact O-CB 3.48Å; G178-A182 PolarHBondContact O-N 3.17Å; D179-A182 PolarHBondContact O-N 3.23Å; A182-L184 PolarHBondContact O-N 2.96Å; A182-A185 WeakPolarHBondContact O-CB 3.28Å; A182-A185 PolarHBondContact O-N 2.97Å; A182-Q186 WeakPolarHBondContact O-CB 3.28Å; A182-Q186 PolarHBondContact O-N 2.98Å
183L97.2Very high95.6Very high22 Ų2249.8 Ų49.812%0.11529%0.292CS..Hα-helixtrans-62.3-43.4177-72.5167.3000112V130 T132 L169 M171 D179 V180 Q186 A187V130-L183 HydrophobicContact CG1-CB 4.33Å; T132-L183 HydrophobicContact CG2-CD1 3.92Å; L169-L183 HydrophobicContact CD2-CB 4.18Å; L169-L183 HydrophobicContact CD2-CD1 4.24Å; M171-L183 HydrophobicContact CE-CD1 3.54Å; M171-L183 HydrophobicContact SD-CD1 3.84Å; D179-L183 WeakPolarHBondContact O-CB 3.49Å; D179-L183 VanDerWaalsContact O-CG 3.29Å; D179-L183 WeakPolarHBondContact O-CG 3.4Å; D179-L183 PolarHBondContact O-N 3.14Å; V180-L183 PolarHBondContact O-N 2.96Å; L183-Q186 PolarHBondContact O-N 3.32Å; L183-A187 VanDerWaalsContact O-CB 3.3Å; L183-A187 WeakPolarHBondContact O-CB 3.35Å; L183-A187 PolarHBondContact O-N 2.74Å
184L96.7Very high95.3Very high0 Ų051.2 Ų51.20%031%0.305CS..Hα-helixtrans-66.4-40.3176.1-72.5170.5000112.2I158 F167 L169 V180 R181 A182 Q186 A187 R188 F195 I197 L226I158-L184 HydrophobicContact CG2-CD1 4.19Å; F167-L184 HydrophobicContact CB-CD2 3.66Å; F167-L184 HydrophobicContact CD1-CD2 4.36Å; F167-L184 HydrophobicContact CD2-CD2 3.9Å; F167-L184 HydrophobicContact CG-CD2 3.7Å; L169-L184 HydrophobicContact CD1-CD2 4.18Å; L169-L184 HydrophobicContact CD2-CG 4.44Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.49Å; V180-L184 WeakPolarHBondContact O-CB 3.18Å; V180-L184 VanDerWaalsContact O-CG 3.29Å; V180-L184 WeakPolarHBondContact O-CG 3.16Å; V180-L184 PolarHBondContact O-N 3.1Å; R181-L184 PolarHBondContact O-N 3.44Å; A182-L184 PolarHBondContact O-N 2.96Å; L184-Q186 VanDerWaalsContact C-N 3.35Å; L184-A187 PolarHBondContact O-N 3.21Å; L184-R188 VanDerWaalsContact O-CB 3.28Å; L184-R188 WeakPolarHBondContact O-CB 3.28Å; L184-R188 WeakPolarHBondContact O-CD 3.33Å; L184-R188 WeakPolarHBondContact O-CG 3.43Å; L184-R188 PolarHBondContact O-N 2.82Å; L184-F195 HydrophobicContact CB-CE2 4.01Å; L184-F195 HydrophobicContact CB-CZ 3.73Å; L184-F195 HydrophobicContact CD1-CE2 4.19Å; L184-I197 HydrophobicContact CD1-CD1 4.03Å; L184-I197 HydrophobicContact CD1-CG1 4.34Å; L184-L226 HydrophobicContact CD1-CD2 4.17Å
185A95.6Very high95.3Very high11 Ų1146.1 Ų46.19%0.09128%0.278CS..Hα-helixtrans-60.7-45.5176.100000111.2R181 A182 R188 V189 M190 A192 F195R181-A185 VanDerWaalsContact O-CB 3.29Å; R181-A185 WeakPolarHBondContact O-CB 3.49Å; R181-A185 PolarHBondContact O-N 3.25Å; A182-A185 WeakPolarHBondContact O-CB 3.28Å; A182-A185 PolarHBondContact O-N 2.97Å; A185-R188 PolarHBondContact O-N 3.14Å; A185-V189 PolarHBondContact O-N 3.16Å; A185-M190 CarbonylContact C-O 3.58Å; A185-M190 WeakPolarHBondContact CA-O 3.4Å; A185-M190 VanDerWaalsContact CB-O 3.31Å; A185-M190 WeakPolarHBondContact CB-O 3.37Å; A185-M190 PolarHBondContact O-N 2.77Å; A185-M190 VanDerWaalsContact O-N 3.07Å; A185-A192 HydrophobicContact CB-CB 3.95Å; A185-F195 HydrophobicContact CB-CE1 4.36Å; A185-F195 HydrophobicContact CB-CZ 4.37Å
186Q95.1Very high95.2Very high147 Ų14745.9 Ų45.969%0.68728%0.276SS*.Hα-helixtrans-64-49.3176.3-173.7179.145.700111.9A182 L183 L184 R188 V189A182-Q186 WeakPolarHBondContact O-CB 3.28Å; A182-Q186 PolarHBondContact O-N 2.98Å; L183-Q186 PolarHBondContact O-N 3.32Å; L184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-R188 PolarHBondContact O-N 2.52Å; Q186-V189 PolarHBondContact O-N 3.33Å
187A93.7Very high95.1Very high46 Ų4644.4 Ų44.438%0.3827%0.267SS..Hα-helixtrans-61.8-28.7-179.300000112.9V130 L183 L184V130-A187 HydrophobicContact CG1-CB 4.2Å; V130-A187 HydrophobicContact CG2-CB 4.01Å; L183-A187 VanDerWaalsContact O-CB 3.3Å; L183-A187 WeakPolarHBondContact O-CB 3.35Å; L183-A187 PolarHBondContact O-N 2.74Å; L184-A187 PolarHBondContact O-N 3.21Å
188R93.4Very high95.1Very high44 Ų4446.6 Ų46.617%0.16628%0.276CS..Hα-helixtrans-97.1-5.8-179.3-62.2174.570.8-161.77.9113.7E161 F167 L184 A185 Q186 M190E161-R188 IonicContact OE1-CZ 3.29Å; E161-R188 IonicContact OE1-NH1 3.08Å; E161-R188 PolarHBondContact OE1-NH1 3.04Å; E161-R188 IonicContact OE1-NH2 2.74Å; E161-R188 PolarHBondContact OE1-NH2 2.64Å; E161-R188 IonicContact OE2-CZ 2.81Å; E161-R188 IonicContact OE2-NH2 3.18Å; E161-R188 PolarHBondContact OE2-NH2 3.39Å; F167-R188 HydrophobicContact CE1-CG 3.91Å; F167-R188 HydrophobicContact CE2-CG 4.22Å; F167-R188 HydrophobicContact CZ-CG 3.55Å; L184-R188 VanDerWaalsContact O-CB 3.28Å; L184-R188 WeakPolarHBondContact O-CB 3.28Å; L184-R188 WeakPolarHBondContact O-CD 3.33Å; L184-R188 WeakPolarHBondContact O-CG 3.43Å; L184-R188 PolarHBondContact O-N 2.82Å; A185-R188 PolarHBondContact O-N 3.14Å; Q186-R188 PolarHBondContact O-N 2.52Å; R188-M190 VanDerWaalsContact C-N 3.35Å; R188-M190 HydrophobicContact CB-CG 3.37Å; R188-M190 HydrophobicContact CB-SD 3.74Å; R188-M190 PolarHBondContact NE-SD 3.3Å; R188-M190 VanDerWaalsContact NE-SD 3.37Å; R188-M190 PolarHBondContact NH2-SD 3.1Å; R188-M190 PolarHBondContact O-N 2.84Å
189V94.4Very high95Very high137 Ų13746.2 Ų46.283%0.8327%0.271SS*.THydrogen-bonded Turntrans52.751.7-174.4-164.90000111.3A185 Q186A185-V189 PolarHBondContact O-N 3.16Å; Q186-V189 PolarHBondContact O-N 3.33Å
190M92.4Very high94.8Very high86 Ų8645.8 Ų45.842%0.42427%0.271SS..SBendtrans-150.3167.3-179.943173.957.400111.7A185 R188A185-M190 CarbonylContact C-O 3.58Å; A185-M190 WeakPolarHBondContact CA-O 3.4Å; A185-M190 VanDerWaalsContact CB-O 3.31Å; A185-M190 WeakPolarHBondContact CB-O 3.37Å; A185-M190 PolarHBondContact O-N 2.77Å; A185-M190 VanDerWaalsContact O-N 3.07Å; R188-M190 VanDerWaalsContact C-N 3.35Å; R188-M190 HydrophobicContact CB-CG 3.37Å; R188-M190 HydrophobicContact CB-SD 3.74Å; R188-M190 PolarHBondContact NE-SD 3.3Å; R188-M190 VanDerWaalsContact NE-SD 3.37Å; R188-M190 PolarHBondContact NH2-SD 3.1Å; R188-M190 PolarHBondContact O-N 2.84Å
191D93Very high94.1Very high100 Ų10054.5 Ų54.554%0.53531%0.309SS..  trans-70.5140-176.7-170.5-90000112.3S193 A194D191-S193 PolarHBondContact O-N 3.07Å; D191-S193 WeakPolarHBondContact OD1-CA 3.14Å; D191-S193 WeakPolarHBondContact OD1-CB 3.16Å; D191-S193 PolarHBondContact OD1-N 3.07Å; D191-S193 PolarHBondContact OD1-OG 3.33Å; D191-A194 VanDerWaalsContact O-CB 3.23Å; D191-A194 WeakPolarHBondContact O-CB 3.18Å; D191-A194 PolarHBondContact O-N 2.94Å
192A91.1Very high93.7Very high31 Ų3158.4 Ų58.426%0.25634%0.336SS..G310 helixtrans-61.3-25.3179.600000113.5R181 A185R181-A192 WeakPolarHBondContact CD-O 3.38Å; R181-A192 HydrophobicContact CG-CB 3.89Å; A185-A192 HydrophobicContact CB-CB 3.95Å
193S90.3Very high93.6Very high71 Ų7161.2 Ų61.250%0.49735%0.349SS..G310 helixtrans-83.8-8.3176.176.80000113.7D191 F195 R229D191-S193 PolarHBondContact O-N 3.07Å; D191-S193 WeakPolarHBondContact OD1-CA 3.14Å; D191-S193 WeakPolarHBondContact OD1-CB 3.16Å; D191-S193 PolarHBondContact OD1-N 3.07Å; D191-S193 PolarHBondContact OD1-OG 3.33Å; S193-F195 PolarHBondContact O-N 3.23Å; S193-R229 WeakPolarHBondContact O-CD 3.27Å; S193-R229 VanDerWaalsContact O-CG 3.28Å; S193-R229 WeakPolarHBondContact O-CG 3.34Å; S193-R229 PolarHBondContact O-NE 3.45Å
194A92.6Very high93.4Very high47 Ų4762.6 Ų62.639%0.38836%0.359SS..G310 helixtrans-68.9-20.8-179.700000113.1D191 R229D191-A194 VanDerWaalsContact O-CB 3.23Å; D191-A194 WeakPolarHBondContact O-CB 3.18Å; D191-A194 PolarHBondContact O-N 2.94Å; A194-R229 PolarHBondContact O-N 2.93Å
195F94.8Very high93.5Very high0 Ų065.3 Ų65.30%037%0.373CS..EExtended strand (participates in β ladder)trans-137164.1-17560.6-89.8000112.9R181 L184 A185 S193 I197 L226 R227R181-F195 HydrophobicContact CG-CE2 4.2Å; R181-F195 HydrophobicContact CG-CZ 4.28Å; L184-F195 HydrophobicContact CB-CE2 4.01Å; L184-F195 HydrophobicContact CB-CZ 3.73Å; L184-F195 HydrophobicContact CD1-CE2 4.19Å; A185-F195 HydrophobicContact CB-CE1 4.36Å; A185-F195 HydrophobicContact CB-CZ 4.37Å; S193-F195 PolarHBondContact O-N 3.23Å; F195-I197 HydrophobicContact CD2-CG1 4.33Å; F195-I197 HydrophobicContact CE2-CD1 4.43Å; F195-I197 HydrophobicContact CE2-CG1 4.24Å; F195-L226 HydrophobicContact CD2-CD1 4.43Å; F195-L226 HydrophobicContact CD2-CD2 3.81Å; F195-L226 HydrophobicContact CE2-CD2 4.23Å; F195-R227 CarbonylContact C-O 3.59Å; F195-R227 VanDerWaalsContact CA-O 3.26Å; F195-R227 WeakPolarHBondContact CA-O 3.45Å
196E95.9Very high93.5Very high33 Ų3365.6 Ų65.615%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-124.3146.2174-55.1179.8157.900109.9L205 L226 R227 R229E196-L205 HydrophobicContact CB-CD1 3.88Å; E196-L226 WeakPolarHBondContact O-CA 3.14Å; E196-R227 HydrophobicContact CB-CG 3.96Å; E196-R227 PolarHBondContact N-O 3.32Å; E196-R227 PolarHBondContact O-N 3.35Å; E196-R227 IonicContact OE2-CZ 3.33Å; E196-R227 IonicContact OE2-NE 2.85Å; E196-R227 PolarHBondContact OE2-NE 3.42Å; E196-R227 IonicContact OE2-NH2 2.9Å; E196-R227 PolarHBondContact OE2-NH2 3.32Å; E196-R229 HydrophobicContact CG-CG 3.38Å; E196-R229 IonicContact OE1-NE 3.12Å
197I97.3Very high93.5Very high1 Ų165.1 Ų65.11%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-105.3127-179.3-55.8164.1000107.3V180 R181 L184 F195 Y206 L224 L226V180-I197 HydrophobicContact CG1-CD1 4.09Å; R181-I197 HydrophobicContact CB-CD1 4.24Å; L184-I197 HydrophobicContact CD1-CD1 4.03Å; L184-I197 HydrophobicContact CD1-CG1 4.34Å; F195-I197 HydrophobicContact CD2-CG1 4.33Å; F195-I197 HydrophobicContact CE2-CD1 4.43Å; F195-I197 HydrophobicContact CE2-CG1 4.24Å; I197-Y206 HydrophobicContact CG2-CD2 4.24Å; I197-Y206 PolarHBondContact O-N 3.26Å; I197-L224 HydrophobicContact CG2-CB 4.14Å; I197-L224 HydrophobicContact CG2-CD1 3.79Å; I197-L224 HydrophobicContact CG2-CG 4.45Å; I197-L226 HydrophobicContact CB-CD2 4.45Å; I197-L226 HydrophobicContact CG1-CD2 3.76Å
198F97.1Very high93.6Very high46 Ų4666.9 Ų66.920%0.20237%0.373CS..EExtended strand (participates in β ladder)trans-144.6155.4179.174.8-76.6000112.6T200 T204 L205 L225 R227F198-T200 HydrophobicContact CE2-CG2 4.06Å; F198-T204 CarbonylContact C-O 3.59Å; F198-T204 WeakPolarHBondContact CA-O 3.17Å; F198-T204 VanDerWaalsContact CB-O 3.28Å; F198-T204 WeakPolarHBondContact CB-O 3.38Å; F198-L205 HydrophobicContact CB-CD1 4.02Å; F198-L225 HydrophobicContact CD1-CB 4.02Å; F198-L225 VanDerWaalsContact CD1-O 3.27Å; F198-L225 WeakPolarHBondContact CD1-O 3.43Å; F198-L225 HydrophobicContact CE1-CB 3.48Å; F198-L225 VanDerWaalsContact CE1-CB 3.48Å; F198-L225 HydrophobicContact CE1-CD1 4.48Å; F198-L225 HydrophobicContact CE2-CB 4.15Å; F198-L225 HydrophobicContact CE2-CD1 3.85Å; F198-L225 HydrophobicContact CZ-CB 3.57Å; F198-L225 HydrophobicContact CZ-CD1 3.69Å; F198-L225 HydrophobicContact CZ-CG 4.28Å; F198-L225 PolarHBondContact N-O 3.21Å; F198-L225 PolarHBondContact O-N 2.81Å; F198-R227 HydrophobicContact CD1-CB 4.4Å; F198-R227 HydrophobicContact CD1-CG 4Å; F198-R227 HydrophobicContact CE1-CB 3.87Å; F198-R227 HydrophobicContact CE1-CG 3.95Å
199S95.6Very high93.8Very high9 Ų968.2 Ų68.26%0.06338%0.383CS..EExtended strand (participates in β ladder)trans-103.8155.2168.155.70000110.5P202 P203 T204 Y206S199-P202 CarbonylContact C-O 3.6Å; S199-P202 PolarHBondContact OG-O 2.82Å; S199-P203 WeakPolarHBondContact O-CA 3.48Å; S199-T204 PolarHBondContact N-O 2.97Å; S199-T204 PolarHBondContact O-N 3.17Å; S199-T204 WeakPolarHBondContact OG-CB 3.41Å; S199-T204 PolarHBondContact OG-N 3.37Å; S199-Y206 PolarHBondContact OG-OH 3.48Å
200T92.1Very high94Very high61 Ų6166.8 Ų66.837%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-96.5-21.7175.5480000113.4F198 P202 P203 L225F198-T200 HydrophobicContact CE2-CG2 4.06Å; T200-P202 CarbonylContact C-O 3.5Å; T200-P203 WeakPolarHBondContact O-CD 3.24Å; T200-P203 WeakPolarHBondContact O-CG 3.44Å; T200-L225 HydrophobicContact CG2-CD1 3.48Å; T200-L225 VanDerWaalsContact CG2-CD1 3.48Å
201F84.6Confident94.2Very high185 Ų18565.3 Ų65.381%0.81137%0.368SS*.THydrogen-bonded Turntrans-144.4106.5-179.3-63-76.5000111.2
202P88.8Confident94.4Very high94 Ų9462.8 Ų62.861%0.6136%0.356SS*.THydrogen-bonded Turncis-61.3154.4-14.927.2-32.8000111.5S199 T200 T204S199-P202 CarbonylContact C-O 3.6Å; S199-P202 PolarHBondContact OG-O 2.82Å; T200-P202 CarbonylContact C-O 3.5Å; P202-T204 PolarHBondContact O-N 3.19Å; P202-T204 PolarHBondContact O-OG1 3.32Å
203P93.3Very high94.8Very high115 Ų11561.3 Ų61.375%0.74734%0.344SS*.EExtended strand (participates in β ladder)trans-62.2103.5171.4-20.331.3000110.5S199 T200S199-P203 WeakPolarHBondContact O-CA 3.48Å; T200-P203 WeakPolarHBondContact O-CD 3.24Å; T200-P203 WeakPolarHBondContact O-CG 3.44Å
204T95Very high95.1Very high51 Ų5164.2 Ų64.231%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-135.3129.7-175.9-53.20000109.7F198 S199 P202 Y206F198-T204 CarbonylContact C-O 3.59Å; F198-T204 WeakPolarHBondContact CA-O 3.17Å; F198-T204 VanDerWaalsContact CB-O 3.28Å; F198-T204 WeakPolarHBondContact CB-O 3.38Å; S199-T204 PolarHBondContact N-O 2.97Å; S199-T204 PolarHBondContact O-N 3.17Å; S199-T204 WeakPolarHBondContact OG-CB 3.41Å; S199-T204 PolarHBondContact OG-N 3.37Å; P202-T204 PolarHBondContact O-N 3.19Å; P202-T204 PolarHBondContact O-OG1 3.32Å; T204-Y206 HydrophobicContact CG2-CD1 4.37Å; T204-Y206 HydrophobicContact CG2-CE1 3.89Å; T204-Y206 HydrophobicContact CG2-CE2 4.36Å
205L96.8Very high95.3Very high56 Ų5665.4 Ų65.429%0.29336%0.359SS..EExtended strand (participates in β ladder)trans-103.2119.5175.5-179.165.8000109.3E196 F198 Q207E196-L205 HydrophobicContact CB-CD1 3.88Å; F198-L205 HydrophobicContact CB-CD1 4.02Å; L205-Q207 HydrophobicContact CD2-CG 3.95Å; L205-Q207 HydrophobicContact CG-CG 3.89Å; L205-Q207 PolarHBondContact O-N 3.48Å
206Y96.3Very high95.3Very high18 Ų1866.2 Ų66.27%0.07137%0.367CS..EExtended strand (participates in β ladder)trans-89.191.8-176.7-58.4-82.4000110.2I177 R181 I197 S199 T204 L211 A216 L218 L224I177-Y206 HydrophobicContact CD1-CD1 3.94Å; I177-Y206 HydrophobicContact CD1-CG 4.15Å; I177-Y206 HydrophobicContact CG1-CD1 4.35Å; R181-Y206 PolarHBondContact NH2-O 2.89Å; I197-Y206 HydrophobicContact CG2-CD2 4.24Å; I197-Y206 PolarHBondContact O-N 3.26Å; S199-Y206 PolarHBondContact OG-OH 3.48Å; T204-Y206 HydrophobicContact CG2-CD1 4.37Å; T204-Y206 HydrophobicContact CG2-CE1 3.89Å; T204-Y206 HydrophobicContact CG2-CE2 4.36Å; Y206-L211 HydrophobicContact CD1-CD2 4.49Å; Y206-A216 HydrophobicContact CD1-CB 4.28Å; Y206-A216 HydrophobicContact CE1-CB 3.87Å; Y206-L218 HydrophobicContact CE1-CD1 4.3Å; Y206-L218 HydrophobicContact CE1-CD2 4.43Å; Y206-L218 HydrophobicContact CE1-CG 4.48Å; Y206-L218 HydrophobicContact CE2-CD2 4.43Å; Y206-L224 HydrophobicContact CD2-CD2 4.45Å; Y206-L224 HydrophobicContact CE2-CD2 3.71Å
207Q95Very high95.3Very high137 Ų13767.6 Ų67.664%0.6439%0.389SS*.  trans-95.2-33.1179.6-62.6-176-10.600113.5L205 D209L205-Q207 HydrophobicContact CD2-CG 3.95Å; L205-Q207 HydrophobicContact CG-CG 3.89Å; L205-Q207 PolarHBondContact O-N 3.48Å; Q207-D209 PolarHBondContact O-N 2.98Å
208D96.6Very high95.3Very high83 Ų8367.8 Ų67.844%0.44439%0.39SS..  trans-79.2111.2-178.9-177.2-1.3000110.1I177 T210 L211I177-D208 WeakPolarHBondContact CB-O 3.24Å; D208-T210 VanDerWaalsContact C-N 3.26Å; D208-T210 PolarHBondContact O-N 3.31Å; D208-T210 WeakPolarHBondContact OD1-CB 3.34Å; D208-T210 PolarHBondContact OD1-N 3.21Å; D208-T210 PolarHBondContact OD1-OG1 3.27Å; D208-T210 PolarHBondContact OD2-OG1 2.78Å; D208-L211 HydrophobicContact CB-CB 4.24Å
209D97.1Very high95.2Very high72 Ų7268.1 Ų68.139%0.38540%0.396SS..THydrogen-bonded Turntrans-76-13.9-179.1-70.2-23.3000112.6T176 G178 R181 Q207T176-D209 VanDerWaalsContact CB-O 3.29Å; T176-D209 WeakPolarHBondContact CB-O 3.35Å; T176-D209 PolarHBondContact OG1-O 3.19Å; G178-D209 WeakPolarHBondContact CA-O 3.36Å; G178-D209 PolarHBondContact N-O 2.92Å; R181-D209 IonicContact CZ-OD1 3.8Å; R181-D209 IonicContact NE-OD1 3.44Å; R181-D209 PolarHBondContact NE-OD1 3.07Å; R181-D209 IonicContact NE-OD2 2.68Å; R181-D209 IonicContact NH2-OD1 2.89Å; R181-D209 PolarHBondContact NH2-OD1 3.08Å; Q207-D209 PolarHBondContact O-N 2.98Å
210T97.6Very high95.2Very high107 Ų10772.2 Ų72.266%0.65642%0.422SS*.THydrogen-bonded Turntrans-87-13.517869.60000113.2D208 T212D208-T210 VanDerWaalsContact C-N 3.26Å; D208-T210 PolarHBondContact O-N 3.31Å; D208-T210 WeakPolarHBondContact OD1-CB 3.34Å; D208-T210 PolarHBondContact OD1-N 3.21Å; D208-T210 PolarHBondContact OD1-OG1 3.27Å; D208-T210 PolarHBondContact OD2-OG1 2.78Å; T210-T212 PolarHBondContact O-N 3.37Å
211L97.5Very high95.4Very high55 Ų5576.4 Ų76.429%0.28844%0.435SS..  trans-66.7129.8-178.1-173.266.6000110.7T176 I177 Y206 D208 A215 A216T176-L211 CarbonylContact C-O 3.49Å; T176-L211 VanDerWaalsContact CA-O 3.28Å; T176-L211 WeakPolarHBondContact CA-O 3.46Å; I177-L211 HydrophobicContact CG1-CB 4.13Å; I177-L211 WeakPolarHBondContact CG1-O 3.25Å; I177-L211 PolarHBondContact N-O 3.3Å; Y206-L211 HydrophobicContact CD1-CD2 4.49Å; D208-L211 HydrophobicContact CB-CB 4.24Å; L211-A215 HydrophobicContact CD1-CB 3.69Å; L211-A215 HydrophobicContact CG-CB 4.47Å; L211-A216 HydrophobicContact CD2-CB 3.75Å; L211-A216 HydrophobicContact CG-CB 4.07Å
212T98.2Very high95.9Very high47 Ų4768.3 Ų68.329%0.28840%0.402SS..BIsolated β-bridgetrans-78155.3177.965.10000112N175 T210 Q214 A215 A216N175-T212 CarbonylContact O-C 3.58Å; N175-T212 VanDerWaalsContact O-CA 3.28Å; N175-T212 WeakPolarHBondContact O-CA 3.14Å; T210-T212 PolarHBondContact O-N 3.37Å; T212-Q214 PolarHBondContact O-N 2.84Å; T212-A215 PolarHBondContact O-N 3.37Å; T212-A215 VanDerWaalsContact OG1-CB 3.26Å; T212-A215 WeakPolarHBondContact OG1-CB 3.29Å; T212-A215 PolarHBondContact OG1-N 3.24Å; T212-A216 VanDerWaalsContact O-CB 3.26Å; T212-A216 WeakPolarHBondContact O-CB 3.25Å; T212-A216 PolarHBondContact O-N 2.85Å
213L97.6Very high96.3Very high0 Ų067.5 Ų67.50%040%0.404CS..THydrogen-bonded Turntrans-58.2-38.3176.8-64.4-174.1000112.1L156 M171 P173 N175 I177 V180 G217 L218 V219L156-L213 HydrophobicContact CD1-CD1 4.04Å; L156-L213 HydrophobicContact CD1-CD2 3.91Å; M171-L213 HydrophobicContact CB-CD1 3.7Å; M171-L213 HydrophobicContact SD-CD1 4.4Å; P173-L213 PolarHBondContact O-N 2.78Å; N175-L213 HydrophobicContact CB-CD1 4.44Å; N175-L213 WeakPolarHBondContact O-CG 3.32Å; N175-L213 PolarHBondContact O-N 3.5Å; I177-L213 HydrophobicContact CD1-CD2 4.17Å; V180-L213 HydrophobicContact CG2-CD2 3.77Å; L213-G217 PolarHBondContact O-N 3.22Å; L213-L218 HydrophobicContact CB-CB 4.42Å; L213-L218 HydrophobicContact CD2-CB 4.38Å; L213-L218 HydrophobicContact CD2-CD1 3.78Å; L213-L218 PolarHBondContact O-N 3.31Å; L213-V219 HydrophobicContact CB-CG2 4.1Å
214Q96.8Very high96.5Very high132 Ų13262.1 Ų62.162%0.61737%0.369SS*.THydrogen-bonded Turntrans-66-46.3176.3-175.1168.7-14.200112.1P173 T212 A216 G217 V219P173-Q214 HydrophobicContact CB-CB 4.14Å; P173-Q214 WeakPolarHBondContact O-CB 3.24Å; P173-Q214 PolarHBondContact O-N 3.15Å; T212-Q214 PolarHBondContact O-N 2.84Å; Q214-A216 VanDerWaalsContact C-N 3.29Å; Q214-A216 PolarHBondContact O-N 3.01Å; Q214-G217 PolarHBondContact O-N 2.72Å; Q214-G217 VanDerWaalsContact O-N 3.14Å; Q214-V219 HydrophobicContact CB-CG2 4.17Å
215A97Very high96.6Very high71 Ų7161.9 Ų61.959%0.58737%0.365SS*.THydrogen-bonded Turntrans-67.3-31.6178.300000112.3L211 T212 G217L211-A215 HydrophobicContact CD1-CB 3.69Å; L211-A215 HydrophobicContact CG-CB 4.47Å; T212-A215 PolarHBondContact O-N 3.37Å; T212-A215 VanDerWaalsContact OG1-CB 3.26Å; T212-A215 WeakPolarHBondContact OG1-CB 3.29Å; T212-A215 PolarHBondContact OG1-N 3.24Å; A215-G217 PolarHBondContact O-N 3.36Å
216A95.7Very high96.5Very high18 Ų1859.5 Ų59.515%0.14935%0.353CS..THydrogen-bonded Turntrans-73.2-6.9174.500000113.9I177 Y206 L211 T212 Q214 L218I177-A216 HydrophobicContact CD1-CB 4.3Å; Y206-A216 HydrophobicContact CD1-CB 4.28Å; Y206-A216 HydrophobicContact CE1-CB 3.87Å; L211-A216 HydrophobicContact CD2-CB 3.75Å; L211-A216 HydrophobicContact CG-CB 4.07Å; T212-A216 VanDerWaalsContact O-CB 3.26Å; T212-A216 WeakPolarHBondContact O-CB 3.25Å; T212-A216 PolarHBondContact O-N 2.85Å; Q214-A216 VanDerWaalsContact C-N 3.29Å; Q214-A216 PolarHBondContact O-N 3.01Å; A216-L218 VanDerWaalsContact C-N 3.29Å; A216-L218 HydrophobicContact CB-CD1 3.84Å; A216-L218 HydrophobicContact CB-CG 3.79Å; A216-L218 PolarHBondContact O-N 2.91Å
217G95.5Very high96.4Very high61 Ų6163.7 Ų63.763%0.62937%0.369SS*.THydrogen-bonded Turntrans7024.9-176.400000113.7L213 Q214 A215L213-G217 PolarHBondContact O-N 3.22Å; Q214-G217 PolarHBondContact O-N 2.72Å; Q214-G217 VanDerWaalsContact O-N 3.14Å; A215-G217 PolarHBondContact O-N 3.36Å
218L96.6Very high96.3Very high6 Ų660.3 Ų60.33%0.03136%0.364CS..  trans-92.11-177.4-61.6177.2000113.6S154 L156 I177 Y206 L213 A216 A222 L224S154-L218 PolarHBondContact OG-O 3.19Å; L156-L218 HydrophobicContact CD2-CB 3.92Å; I177-L218 HydrophobicContact CD1-CD1 3.62Å; Y206-L218 HydrophobicContact CE1-CD1 4.3Å; Y206-L218 HydrophobicContact CE1-CD2 4.43Å; Y206-L218 HydrophobicContact CE1-CG 4.48Å; Y206-L218 HydrophobicContact CE2-CD2 4.43Å; L213-L218 HydrophobicContact CB-CB 4.42Å; L213-L218 HydrophobicContact CD2-CB 4.38Å; L213-L218 HydrophobicContact CD2-CD1 3.78Å; L213-L218 PolarHBondContact O-N 3.31Å; A216-L218 VanDerWaalsContact C-N 3.29Å; A216-L218 HydrophobicContact CB-CD1 3.84Å; A216-L218 HydrophobicContact CB-CG 3.79Å; A216-L218 PolarHBondContact O-N 2.91Å; L218-A222 HydrophobicContact CB-CB 4Å; L218-A222 HydrophobicContact CD2-CB 3.55Å; L218-A222 HydrophobicContact CG-CB 4.38Å; L218-L224 HydrophobicContact CD1-CD1 4.18Å; L218-L224 HydrophobicContact CD2-CD1 4.26Å; L218-L224 HydrophobicContact CD2-CD2 3.82Å; L218-L224 HydrophobicContact CD2-CG 4.42Å
219V96.1Very high95.7Very high52 Ų5261.8 Ų61.832%0.31536%0.363SS..  trans-101.2139.9-178.9-179.40000109.5P173 L213 Q214P173-V219 HydrophobicContact CB-CG2 3.98Å; P173-V219 HydrophobicContact CG-CG1 4.37Å; P173-V219 HydrophobicContact CG-CG2 4.47Å; L213-V219 HydrophobicContact CB-CG2 4.1Å; Q214-V219 HydrophobicContact CB-CG2 4.17Å
220P94.9Very high94.5Very high95 Ų9569.8 Ų69.862%0.61739%0.388SS*.SBendcis-88.1-12.81.135-36000113.8S154 M155S154-P220 CarbonylContact C-O 3.48Å; S154-P220 WeakPolarHBondContact CA-O 3.48Å; M155-P220 PolarHBondContact N-O 3.45Å
221K96Very high92.7Very high149 Ų14968.7 Ų68.765%0.64839%0.39SS*.EExtended strand (participates in β ladder)trans-147.4133.5-177.7-176.3172.7-176.9169.90110.3M155M155-K221 HydrophobicContact CB-CG 4.43Å; M155-K221 VanDerWaalsContact O-CA 3.27Å; M155-K221 WeakPolarHBondContact O-CA 3.24Å
222A95.9Very high90.6Very high15 Ų1571.9 Ų71.912%0.12441%0.414CS..EExtended strand (participates in β ladder)trans-137.2149.1176.700000112.4M155 L156 R157 L218M155-A222 PolarHBondContact O-N 2.96Å; L156-A222 HydrophobicContact CD2-CB 3.9Å; R157-A222 PolarHBondContact N-O 2.95Å; L218-A222 HydrophobicContact CB-CB 4Å; L218-A222 HydrophobicContact CD2-CB 3.55Å; L218-A222 HydrophobicContact CG-CB 4.38Å
223A95.9Very high88Confident77 Ų7779.2 Ų79.264%0.63644%0.442SS*.EExtended strand (participates in β ladder)trans-112.6121.8170.400000108.9R157R157-A223 CarbonylContact O-C 3.57Å; R157-A223 WeakPolarHBondContact O-CA 3.09Å
224L97.4Very high85.4Confident2 Ų284 Ų841%0.0148%0.475CS..EExtended strand (participates in β ladder)trans-124163.5-176.3-57.5174.6000110.1R157 I158 K159 I197 Y206 L218R157-L224 PolarHBondContact O-N 3.46Å; I158-L224 CarbonylContact C-O 3.5Å; I158-L224 WeakPolarHBondContact CA-O 3.32Å; I158-L224 HydrophobicContact CB-CB 4.47Å; I158-L224 HydrophobicContact CG1-CB 3.92Å; I158-L224 HydrophobicContact CG1-CD1 4.21Å; I158-L224 HydrophobicContact CG2-CB 4.37Å; K159-L224 PolarHBondContact N-O 2.94Å; I197-L224 HydrophobicContact CG2-CB 4.14Å; I197-L224 HydrophobicContact CG2-CD1 3.79Å; I197-L224 HydrophobicContact CG2-CG 4.45Å; Y206-L224 HydrophobicContact CD2-CD2 4.45Å; Y206-L224 HydrophobicContact CE2-CD2 3.71Å; L218-L224 HydrophobicContact CD1-CD1 4.18Å; L218-L224 HydrophobicContact CD2-CD1 4.26Å; L218-L224 HydrophobicContact CD2-CD2 3.82Å; L218-L224 HydrophobicContact CD2-CG 4.42Å
225L97.3Very high83Confident47 Ų4782.3 Ų82.325%0.24648%0.478CS..EExtended strand (participates in β ladder)trans-127147.4179.3-59177.5000109.6K159 F198 T200K159-L225 HydrophobicContact CB-CD2 3.76Å; K159-L225 HydrophobicContact CD-CD2 3.95Å; K159-L225 HydrophobicContact CG-CD2 4.18Å; F198-L225 HydrophobicContact CD1-CB 4.02Å; F198-L225 VanDerWaalsContact CD1-O 3.27Å; F198-L225 WeakPolarHBondContact CD1-O 3.43Å; F198-L225 HydrophobicContact CE1-CB 3.48Å; F198-L225 VanDerWaalsContact CE1-CB 3.48Å; F198-L225 HydrophobicContact CE1-CD1 4.48Å; F198-L225 HydrophobicContact CE2-CB 4.15Å; F198-L225 HydrophobicContact CE2-CD1 3.85Å; F198-L225 HydrophobicContact CZ-CB 3.57Å; F198-L225 HydrophobicContact CZ-CD1 3.69Å; F198-L225 HydrophobicContact CZ-CG 4.28Å; F198-L225 PolarHBondContact N-O 3.21Å; F198-L225 PolarHBondContact O-N 2.81Å; T200-L225 HydrophobicContact CG2-CD1 3.48Å; T200-L225 VanDerWaalsContact CG2-CD1 3.48Å
226L96.4Very high80.5Confident6 Ų686.1 Ų86.13%0.03149%0.488CS..EExtended strand (participates in β ladder)trans-97.3145.8168.5-57.7-175.7000110.3I158 K159 E161 F167 L184 F195 E196 I197I158-L226 HydrophobicContact CG2-CD1 4.15Å; I158-L226 HydrophobicContact CG2-CD2 3.52Å; I158-L226 HydrophobicContact CG2-CG 3.57Å; K159-L226 PolarHBondContact O-N 2.99Å; E161-L226 HydrophobicContact CG-CB 4.23Å; F167-L226 HydrophobicContact CE2-CD1 4.39Å; L184-L226 HydrophobicContact CD1-CD2 4.17Å; F195-L226 HydrophobicContact CD2-CD1 4.43Å; F195-L226 HydrophobicContact CD2-CD2 3.81Å; F195-L226 HydrophobicContact CE2-CD2 4.23Å; E196-L226 WeakPolarHBondContact O-CA 3.14Å; I197-L226 HydrophobicContact CB-CD2 4.45Å; I197-L226 HydrophobicContact CG1-CD2 3.76Å
227R94.3Very high77.9Confident106 Ų10694 Ų9440%0.452%0.519SS..EExtended strand (participates in β ladder)trans-136.3146.4164.365-175.7-167.8-174.55109.4F195 E196 F198F195-R227 CarbonylContact C-O 3.59Å; F195-R227 VanDerWaalsContact CA-O 3.26Å; F195-R227 WeakPolarHBondContact CA-O 3.45Å; E196-R227 HydrophobicContact CB-CG 3.96Å; E196-R227 PolarHBondContact N-O 3.32Å; E196-R227 PolarHBondContact O-N 3.35Å; E196-R227 IonicContact OE2-CZ 3.33Å; E196-R227 IonicContact OE2-NE 2.85Å; E196-R227 PolarHBondContact OE2-NE 3.42Å; E196-R227 IonicContact OE2-NH2 2.9Å; E196-R227 PolarHBondContact OE2-NH2 3.32Å; F198-R227 HydrophobicContact CD1-CB 4.4Å; F198-R227 HydrophobicContact CD1-CG 4Å; F198-R227 HydrophobicContact CE1-CB 3.87Å; F198-R227 HydrophobicContact CE1-CG 3.95Å
228A91.8Very high75.4Confident65 Ų65100.4 Ų100.454%0.53753%0.529SS..EExtended strand (participates in β ladder)trans-64.1140173.400000110.5R230A228-R230 PolarHBondContact O-N 2.96Å
229R84.6Confident72.9Confident115 Ų115104.7 Ų104.743%0.43456%0.56SS.*  trans-67.2124.7168.4-81.4-155.3-169.1-151-1.2109S193 A194 E196 A231S193-R229 WeakPolarHBondContact O-CD 3.27Å; S193-R229 VanDerWaalsContact O-CG 3.28Å; S193-R229 WeakPolarHBondContact O-CG 3.34Å; S193-R229 PolarHBondContact O-NE 3.45Å; A194-R229 PolarHBondContact O-N 2.93Å; E196-R229 HydrophobicContact CG-CG 3.38Å; E196-R229 IonicContact OE1-NE 3.12Å; R229-A231 PolarHBondContact O-N 3.49Å
230R71.6Confident70.6Confident239 Ų239108.6 Ų108.690%0.90259%0.586SS**  trans-74.4114.7161.9-79.1-179.9165.4173.5-3.5107A228A228-R230 PolarHBondContact O-N 2.96Å
231A60.3Low68Low85 Ų85106.6 Ų106.670%0.70258%0.583SS**  trans-52.1130.9167.100000108R229 K233R229-A231 PolarHBondContact O-N 3.49Å; A231-K233 PolarHBondContact O-N 2.99Å
232P51.8Low65.7Low121 Ų121105.7 Ų105.779%0.78659%0.593SS**  trans-57.2121.6165.719.3-21.6000105.4S234P232-S234 VanDerWaalsContact C-N 3.32Å; P232-S234 PolarHBondContact O-N 3Å
233K43.6Very low63.2Low202 Ų202110.8 Ų110.888%0.87863%0.626SS**  trans-50.3110.2165.2-70.3179.9179.3178.60104A231 S235A231-K233 PolarHBondContact O-N 2.99Å; K233-S235 VanDerWaalsContact C-N 3.3Å; K233-S235 PolarHBondContact O-N 3Å
234S44.8Very low60.9Low100 Ų100113.1 Ų113.170%0.69964%0.635SS**  trans-54108.7169.943.20000104.3P232 L236P232-S234 VanDerWaalsContact C-N 3.32Å; P232-S234 PolarHBondContact O-N 3Å; S234-L236 PolarHBondContact O-N 3.2Å
235S44.5Very low58.7Low97 Ų97115.9 Ų115.968%0.67866%0.663SS**  trans-55.8102.1160.250.60000103.1K233 K237K233-S235 VanDerWaalsContact C-N 3.3Å; K233-S235 PolarHBondContact O-N 3Å; S235-K237 PolarHBondContact O-N 2.69Å
236L45.3Very low56.4Low150 Ų150120.3 Ų120.379%0.78570%0.695SS**  trans-50.1103.5165.5-78.6163.8000104.1S234 F238S234-L236 PolarHBondContact O-N 3.2Å; L236-F238 PolarHBondContact O-N 3.03Å
237K41.4Very low54Low185 Ų185122.7 Ų122.780%0.80472%0.721SS**  trans-61100.2169.1-73.4179.6178.7177.90103.6S235 S239S235-K237 PolarHBondContact O-N 2.69Å; K237-S239 PolarHBondContact O-N 2.92Å
238F42.5Very low52.1Low194 Ų194124.1 Ų124.185%0.85174%0.744SS**  trans-6490.6162.7-103.4-94000105.6L236L236-F238 PolarHBondContact O-N 3.03Å
239S44.9Very low50Low96 Ų96124 Ų12467%0.67175%0.749SS**  trans-54.2126158.2-460000106.5K237 G241K237-S239 PolarHBondContact O-N 2.92Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact O-N 3.32Å
240P46.7Very low48.5Very low134 Ų134124.7 Ų124.787%0.8777%0.769SS**  trans-69.593.8167.711.9-2.3000107.2
241G41.6Very low47.7Very low54 Ų54118.3 Ų118.356%0.55776%0.76SS**PPolyproline II helixtrans-67.9158165.900000110.5S239 C243S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact O-N 3.32Å; G241-C243 PolarHBondContact O-N 3.45Å
242P47.8Very low47.3Very low130 Ų130120.4 Ų120.484%0.84477%0.767SS**PPolyproline II helixtrans-64.1137.1-170.215.8-12.8000110.8
243C43Very low47.3Very low122 Ų122117.5 Ų117.582%0.82476%0.759SS**PPolyproline II helixtrans-48.8123.9-178.5-520000111.3G241 G245G241-C243 PolarHBondContact O-N 3.45Å; C243-G245 PolarHBondContact O-N 2.95Å
244P46.9Very low47.9Very low126 Ų126114.4 Ų114.482%0.81876%0.759SS**PPolyproline II helixtrans-64.4133.1156.1-5.121.5000106.8
245G51.5Low48.3Very low59 Ų59112.4 Ų112.461%0.60876%0.755SS**PPolyproline II helixtrans-55.5170177.200000113.2C243 G247C243-G245 PolarHBondContact O-N 2.95Å; G245-G247 PolarHBondContact O-N 3.45Å
246P49.6Very low48.8Very low140 Ų140114.4 Ų114.491%0.90977%0.765SS**  trans-60.5113-177.325.2-31.7000109.9
247G45.7Very low49.2Very low57 Ų57110.2 Ų110.259%0.58876%0.758SS**PPolyproline II helixtrans-63.9156.8169.200000110.9G245 G249G245-G247 PolarHBondContact O-N 3.45Å; G247-G249 PolarHBondContact O-N 2.87Å
248P54.1Low50.1Low135 Ų135107.7 Ų107.788%0.87776%0.761SS**PPolyproline II helixtrans-59.3134.5-179.424.8-31.6000110
249G48.7Very low50.8Low62 Ų62103.7 Ų103.764%0.63976%0.757SS**PPolyproline II helixtrans-57.7165.7-176.400000113.7G247 S251G247-G249 PolarHBondContact O-N 2.87Å; G249-S251 PolarHBondContact O-N 3.08Å
250P51.9Low51.3Low131 Ų131105.3 Ų105.385%0.85177%0.766SS**PPolyproline II helixtrans-59.5128.5-178.125.2-32.2000110
251S55.9Low51.8Low104 Ų104101.8 Ų101.873%0.72775%0.754SS**PPolyproline II helixtrans-55.6138.4166.130.50000109.4G249 G253G249-S251 PolarHBondContact O-N 3.08Å; S251-G253 PolarHBondContact O-N 3.12Å
252P51.6Low52.6Low129 Ų129105.9 Ų105.984%0.83877%0.77SS**PPolyproline II helixtrans-60.3129.5174.8-1628.7000108.8
253G50.8Low53Low60 Ų60102.7 Ų102.762%0.61976%0.761SS**PPolyproline II helixtrans-57.9158172.200000111.4S251 G255S251-G253 PolarHBondContact O-N 3.12Å; G253-G255 PolarHBondContact O-N 3.03Å
254P57.3Low53.8Low137 Ų137103.4 Ų103.489%0.8976%0.764SS**PPolyproline II helixtrans-59.8126.5174.225.3-31.1000109.1
255G51.9Low54.3Low59 Ų59100.1 Ų100.161%0.60875%0.754SS**PPolyproline II helixtrans-62164.8178.300000112.6G253 G257G253-G255 PolarHBondContact O-N 3.03Å; G255-G257 PolarHBondContact O-N 2.93Å
256P54.8Low54.8Low138 Ų138103.8 Ų103.890%0.89677%0.766SS**PPolyproline II helixtrans-60.1129.2177.325.2-31.7000110.1
257G54.2Low55.2Low62 Ų62102.4 Ų102.464%0.63976%0.76SS**PPolyproline II helixtrans-62.7161.8175.200000112.4G255G255-G257 PolarHBondContact O-N 2.93Å
258P60.1Low55.9Low133 Ų133105.7 Ų105.786%0.86477%0.771SS**PPolyproline II helixtrans-63.7140.4-17626-32.7000111.7
259S58.2Low55.9Low110 Ų110105.1 Ų105.177%0.76977%0.769SS**PPolyproline II helixtrans-52.9143.8175.9-37.60000111.9G261S259-G261 PolarHBondContact O-N 3.5Å
260P56Low56.4Low130 Ų130108.3 Ų108.384%0.84478%0.778SS**PPolyproline II helixtrans-64127.7170.1-6.519.8000109.3
261G56.3Low56.7Low60 Ų60105.2 Ų105.262%0.61977%0.77SS**PPolyproline II helixtrans-65.1165173.700000112.6S259 G263S259-G261 PolarHBondContact O-N 3.5Å; G261-G263 PolarHBondContact O-N 2.98Å
262P58.7Low57Low139 Ų139106.8 Ų106.890%0.90378%0.778SS**PPolyproline II helixtrans-63.1130.6179.526-31.6000110.4
263G55.3Low57.1Low64 Ų64106.2 Ų106.266%0.6678%0.777SS**PPolyproline II helixtrans-63.3156.2178.400000112.7G261 G265G261-G263 PolarHBondContact O-N 2.98Å; G263-G265 PolarHBondContact O-N 3.11Å
264P61.2Low57.5Low136 Ų136109.1 Ų109.188%0.88379%0.785SS**PPolyproline II helixtrans-64133.7177.125.9-31.6000110.7
265G56.8Low57.1Low58 Ų58108 Ų10860%0.59878%0.781SS**PPolyproline II helixtrans-64.5165.5176.800000113.2G263 S267G263-G265 PolarHBondContact O-N 3.11Å; G265-S267 PolarHBondContact O-N 2.85Å
266P60.8Low57.6Low135 Ų135111.3 Ų111.388%0.87779%0.791SS**PPolyproline II helixtrans-67.7129.5-173.626.6-33.1000112.2
267S59.6Low57.5Low112 Ų112117.7 Ų117.778%0.78381%0.809SS**PPolyproline II helixtrans-71.7144.5169.5-57.10000111.1G265G265-S267 PolarHBondContact O-N 2.85Å
268P59.2Low57.6Low125 Ų125120.5 Ų120.581%0.81282%0.818SS**PPolyproline II helixtrans-73.3146.8-173.327.1-30.8000113.2
269C55.2Low57.5Low123 Ų123119.8 Ų119.883%0.83182%0.815SS**PPolyproline II helixtrans-60.1139.8-179.1-59.20000113
270P59.5Low57.5Low129 Ų129120.3 Ų120.384%0.83882%0.818SS**PPolyproline II helixtrans-72.1130.2162.9-8.825000110.2
271G58.3Low57.5Low66 Ų66119.8 Ų119.868%0.6882%0.816SS**PPolyproline II helixtrans-68.2169.2174.100000113.5
272P60.7Low57.6Low137 Ų137123.5 Ų123.589%0.8983%0.829SS**PPolyproline II helixtrans-77139.4-173.731-32.5000111.7
273S55Low57.5Low118 Ų118122.5 Ų122.583%0.82582%0.824SS**  trans-108.4154.2169-103.60000111.4
274P57.7Low57.7Low121 Ų121126.6 Ų126.679%0.78684%0.835SS**PPolyproline II helixtrans-86.1161-148.533.1-36.2000115.5
275S48.7Very low57.4Low113 Ų113125.9 Ų125.979%0.7983%0.832SS**PPolyproline II helixtrans-64.7145.8176.8-48.90000113
276P63.6Low57.5Low128 Ų128131.6 Ų131.683%0.83185%0.851SS**PPolyproline II helixtrans-78.6140.4172.630.9-31.6000111.7
277Q51.5Low57.2Low272 Ų272131.3 Ų131.3100%1.27185%0.849SS**  trans-89.80158.3-78-167.3-44.200110

Retrieved 277 of 277 residues in 164.3 ms (Link to these results)

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