A0A060Y9K3_ONCMY Loading...

Small ribosomal subunit protein RACK1

Involved in the recruitment, assembly and/or regulation of a variety of signaling molecules. Interacts with a wide variety of proteins and plays a role in many cellular processes. Required for VANGL2 membrane localization, inhibits Wnt signaling and regulates cellular polarization and oriented cell division during gastrulation.

AlphaFold DB (A0A667ZSZ7), UniProt , Accession A0A060Y9K3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rack1, Length 317 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
1M55.6Low82.8Confident204 Ų20469.1 Ų69.1100%1.00536%0.357SS*.  0126.70-68.1171.7-142.800106.2I314M1-I314 HydrophobicContact CB-CG2 3.91Å; M1-I314 HydrophobicContact CG-CG2 4.22Å; M1-I314 HydrophobicContact SD-CG2 3.81Å
2T69.4Low83.6Confident91 Ų9175.3 Ų75.356%0.55838%0.379SS*.  trans-87.4114.5177.648.40000108G315T2-G315 PolarHBondContact O-N 3.46Å
3E79.8Confident84.2Confident52 Ų5272.5 Ų72.524%0.24338%0.382CS..EExtended strand (participates in β ladder)trans-73.7131169.7-64.9-172134.900108.4R245 W247 V312E3-R245 IonicContact OE1-CZ 3.18Å; E3-R245 IonicContact OE1-NE 3.94Å; E3-R245 PolarHBondContact OE1-NE 2.84Å; E3-R245 IonicContact OE1-NH2 2.69Å; E3-R245 PolarHBondContact OE1-NH2 3.23Å; E3-R245 WeakPolarHBondContact OE2-CD 3.49Å; E3-R245 IonicContact OE2-CZ 2.82Å; E3-R245 IonicContact OE2-NE 2.84Å; E3-R245 PolarHBondContact OE2-NE 2.86Å; E3-R245 IonicContact OE2-NH2 3.78Å; E3-W247 HydrophobicContact CB-CH2 3.76Å; E3-W247 HydrophobicContact CB-CZ2 4.11Å; E3-W247 VanDerWaalsContact OE2-CH2 3.23Å; E3-W247 WeakPolarHBondContact OE2-CH2 3.22Å; E3-W247 WeakPolarHBondContact OE2-CZ2 3.17Å; E3-V312 HydrophobicContact CB-CG1 3.95Å; E3-V312 HydrophobicContact CG-CG1 4.24Å
4Q84.6Confident84.9Confident104 Ų10468 Ų6849%0.48636%0.358SS..EExtended strand (participates in β ladder)trans-130.1155.3177.9-73.3-177.4-20.500109.4T313Q4-T313 PolarHBondContact N-O 3.37Å; Q4-T313 PolarHBondContact O-N 2.65Å; Q4-T313 VanDerWaalsContact O-O 3.13Å; Q4-T313 PolarHBondContact O-OG1 3.19Å
5M86.9Confident85.5Confident12 Ų1272.9 Ų72.96%0.05938%0.384CS..EExtended strand (participates in β ladder)trans-100.1129.4178.7-67-70.1-102.200110.6I258 D268 L270 W291 L298 W310 Q311 V312M5-I258 HydrophobicContact CE-CD1 4.07Å; M5-I258 HydrophobicContact CG-CD1 3.59Å; M5-D268 PolarHBondContact N-OD2 3.19Å; M5-L270 HydrophobicContact CB-CD1 4.09Å; M5-L270 HydrophobicContact CB-CD2 3.5Å; M5-L270 HydrophobicContact CB-CG 4.45Å; M5-L270 HydrophobicContact CG-CD1 4.34Å; M5-L270 HydrophobicContact CG-CD2 4.16Å; M5-W291 HydrophobicContact CE-CH2 3.47Å; M5-W291 VanDerWaalsContact CE-CH2 3.47Å; M5-W291 HydrophobicContact CE-CZ2 4.31Å; M5-W291 HydrophobicContact CE-CZ3 3.88Å; M5-W291 HydrophobicContact SD-CH2 4.37Å; M5-L298 HydrophobicContact CE-CB 3.38Å; M5-L298 HydrophobicContact CE-CD2 3.87Å; M5-L298 HydrophobicContact CE-CG 4.28Å; M5-W310 HydrophobicContact CB-CE3 4.37Å; M5-W310 HydrophobicContact CE-CB 3.99Å; M5-Q311 WeakPolarHBondContact CA-O 3.43Å; M5-V312 HydrophobicContact CE-CG2 4.31Å; M5-V312 HydrophobicContact SD-CB 4.07Å; M5-V312 HydrophobicContact SD-CG2 3.39Å; M5-V312 WeakPolarHBondContact SD-CG2 3.49Å
6T87.3Confident86Confident55 Ų5568.9 Ų68.934%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-115.8143.5175.751.40000110.8R8 W310 Q311 T313T6-R8 PolarHBondContact O-N 2.75Å; T6-W310 CarbonylContact O-C 3.59Å; T6-W310 WeakPolarHBondContact O-CA 3.39Å; T6-Q311 PolarHBondContact N-O 3.26Å; T6-Q311 PolarHBondContact O-N 3.31Å; T6-T313 HydrophobicContact CG2-CG2 4.35Å; T6-T313 WeakPolarHBondContact CG2-OG1 3.36Å; T6-T313 WeakPolarHBondContact OG1-CG2 3.3Å; T6-T313 PolarHBondContact OG1-OG1 2.78Å
7V88Confident86.6Confident67 Ų6770.9 Ų70.941%0.40637%0.367SS..EExtended strand (participates in β ladder)trans-67.4122.5173.1-176.50000108.3W310V7-W310 HydrophobicContact CB-CE3 4.38Å; V7-W310 HydrophobicContact CB-CZ3 4.34Å; V7-W310 HydrophobicContact CG2-CD2 4Å; V7-W310 HydrophobicContact CG2-CE3 3.54Å; V7-W310 HydrophobicContact CG2-CH2 3.22Å; V7-W310 HydrophobicContact CG2-CZ2 3.69Å; V7-W310 HydrophobicContact CG2-CZ3 3.15Å
8R88.1Confident87.1Confident123 Ų12366.9 Ų66.946%0.46435%0.347SS..EExtended strand (participates in β ladder)trans-95.3-30.9173.8-75.3-60.1-166.5177.8-0.7113.5T6 Y52 V309 Q311T6-R8 PolarHBondContact O-N 2.75Å; R8-Y52 HydrophobicContact CB-CD2 4.06Å; R8-Y52 HydrophobicContact CB-CE2 4.06Å; R8-V309 PolarHBondContact N-O 3.34Å; R8-Q311 HydrophobicContact CG-CB 3.44Å; R8-Q311 VanDerWaalsContact CG-CB 3.44Å; R8-Q311 HydrophobicContact CG-CG 4.46Å
9G88.6Confident87.6Confident13 Ų1364.8 Ų64.813%0.13434%0.337CS..EExtended strand (participates in β ladder)trans173-174.6-179.200000113.3V309G9-V309 PolarHBondContact O-N 3.21Å
10T91.1Very high88.1Confident38 Ų3863.4 Ų63.423%0.23333%0.329CS..EExtended strand (participates in β ladder)trans-132.6146.5177.564.20000110.4I307 R308T10-I307 CarbonylContact C-O 3.56Å; T10-I307 VanDerWaalsContact CA-O 3.26Å; T10-I307 WeakPolarHBondContact CA-O 3.5Å; T10-R308 HydrophobicContact CG2-CG 4.13Å
11L91.8Very high88.5Confident1 Ų160.4 Ų60.41%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-106.1124.2171.5-49.2169.9000108.1I31 W43 L45 Y52 G53 I307 V309L11-I31 HydrophobicContact CD1-CD1 3.47Å; L11-I31 VanDerWaalsContact CD1-CD1 3.47Å; L11-W43 HydrophobicContact CB-CD2 4.32Å; L11-W43 HydrophobicContact CB-CE3 3.85Å; L11-W43 HydrophobicContact CB-CH2 3.97Å; L11-W43 HydrophobicContact CB-CZ2 4.43Å; L11-W43 HydrophobicContact CB-CZ3 3.66Å; L11-W43 HydrophobicContact CD1-CD2 4.19Å; L11-W43 HydrophobicContact CD1-CE3 4.3Å; L11-W43 HydrophobicContact CD1-CG 4.36Å; L11-W43 HydrophobicContact CD2-CE3 4.33Å; L11-W43 HydrophobicContact CG-CE3 4.41Å; L11-L45 HydrophobicContact CD1-CD2 4.29Å; L11-Y52 HydrophobicContact CD2-CD1 4.39Å; L11-G53 VanDerWaalsContact CD2-CA 3.42Å; L11-G53 WeakPolarHBondContact CD2-O 3.47Å; L11-I307 HydrophobicContact CB-CB 4.06Å; L11-I307 HydrophobicContact CD1-CB 4.16Å; L11-I307 HydrophobicContact CD1-CD1 4.28Å; L11-I307 HydrophobicContact CD1-CG2 4.09Å; L11-I307 HydrophobicContact CG-CB 4.39Å; L11-I307 PolarHBondContact N-O 2.87Å; L11-I307 PolarHBondContact O-N 3.47Å; L11-I307 VanDerWaalsContact O-N 3.17Å; L11-V309 HydrophobicContact CD1-CG2 4.43Å; L11-V309 HydrophobicContact CG-CG2 4.29Å
12K92.1Very high90.4Very high143 Ų14351.1 Ų51.162%0.62227%0.269SS*.EExtended strand (participates in β ladder)trans-116.8134-178.4-46.7-159.9172.6170.70109.5W43 L306K12-W43 WeakPolarHBondContact O-CH2 3.48Å; K12-L306 HydrophobicContact CB-CD2 4.07Å; K12-L306 HydrophobicContact CD-CD2 3.94Å; K12-L306 HydrophobicContact CG-CD2 3.62Å
13G90.8Very high91.6Very high40 Ų4048.8 Ų48.841%0.41226%0.255SS..  trans165.2-23.1-18000000114.6
14H94.6Very high92.2Very high9 Ų946.5 Ų46.54%0.04224%0.244CC..  trans-73.9148.7172-80.5-62.5000112.1V18 S33 S35 D37 I41 W43 N305H14-V18 HydrophobicContact CB-CG2 4.35Å; H14-S33 WeakPolarHBondContact NE2-CB 3.45Å; H14-S33 PolarHBondContact NE2-OG 3.5Å; H14-S35 WeakPolarHBondContact CE1-CB 3.44Å; H14-S35 WeakPolarHBondContact ND1-CB 3.44Å; H14-D37 WeakPolarHBondContact CA-OD2 3.41Å; H14-D37 IonicContact CE1-OD2 3.85Å; H14-D37 IonicContact CG-OD2 3.3Å; H14-D37 IonicContact ND1-OD1 3.77Å; H14-D37 IonicContact ND1-OD2 2.81Å; H14-D37 PolarHBondContact ND1-OD2 2.84Å; H14-I41 VanDerWaalsContact CE1-CD1 3.44Å; H14-I41 WeakPolarHBondContact CE1-CD1 3.38Å; H14-I41 VanDerWaalsContact CE1-CG1 3.4Å; H14-I41 WeakPolarHBondContact CE1-CG1 3.5Å; H14-I41 WeakPolarHBondContact ND1-CD1 3.44Å; H14-W43 AromaticContact CD2-CZ2 3.89Å; H14-N305 HydrophobicContact CB-CB 4.35Å; H14-N305 WeakPolarHBondContact O-CB 3.47Å
15N93.4Very high92.4Very high142 Ų14246.2 Ų46.276%0.75925%0.252SS*.SBendtrans-107.812.5175.6-68.9-42.5000112.6D37N15-D37 HydrophobicContact CB-CB 4.02Å; N15-D37 PolarHBondContact N-OD2 3.3Å
16G93.9Very high92.6Very high9 Ų951.6 Ų51.69%0.09328%0.276CS..SBendtrans-158.7173.9179.800000110.9V18 S35 N305G16-V18 PolarHBondContact O-N 2.93Å; G16-S35 PolarHBondContact O-OG 3.44Å; G16-N305 WeakPolarHBondContact CA-OD1 3.18Å; G16-N305 PolarHBondContact N-OD1 3.14Å; G16-N305 WeakPolarHBondContact O-CA 3.45Å; G16-N305 WeakPolarHBondContact O-CB 3.37Å; G16-N305 PolarHBondContact O-OD1 3.22Å
17W95.6Very high92.7Very high102 Ų10252.7 Ų52.739%0.38628%0.277SS..  trans-56.8135.8-175.9-58.11.5000111.1T19 S35 R36 T303 N305W17-T19 PolarHBondContact O-N 3.23Å; W17-S35 WeakPolarHBondContact O-CA 3.48Å; W17-S35 WeakPolarHBondContact O-CB 2.93Å; W17-S35 PolarHBondContact O-OG 2.82Å; W17-S35 VanDerWaalsContact O-OG 3.07Å; W17-R36 HydrophobicContact CB-CG 4.18Å; W17-R36 VanDerWaalsContact CE3-NH1 3.34Å; W17-R36 PolarHBondContact O-N 2.69Å; W17-T303 HydrophobicContact CD2-CG2 3.61Å; W17-T303 HydrophobicContact CE3-CG2 3.58Å; W17-T303 HydrophobicContact CG-CG2 4.11Å; W17-T303 HydrophobicContact CH2-CG2 4.13Å; W17-T303 HydrophobicContact CZ2-CG2 4.15Å; W17-T303 HydrophobicContact CZ3-CG2 3.85Å; W17-T303 PolarHBondContact NE1-O 2.76Å; W17-N305 PolarHBondContact N-OD1 2.72Å
18V96.9Very high92.8Very high0 Ų052.7 Ų52.70%028%0.278CS..EExtended strand (participates in β ladder)trans-82104177.2-176.60000109.2H14 G16 I21 A34 T287 S288 Y302 I307H14-V18 HydrophobicContact CB-CG2 4.35Å; G16-V18 PolarHBondContact O-N 2.93Å; V18-I21 HydrophobicContact CG1-CD1 4.31Å; V18-I21 HydrophobicContact CG1-CG1 3.91Å; V18-A34 CarbonylContact C-O 3.53Å; V18-A34 WeakPolarHBondContact CA-O 3.15Å; V18-T287 PolarHBondContact O-OG1 3.49Å; V18-S288 PolarHBondContact O-OG 2.77Å; V18-Y302 PolarHBondContact N-O 2.89Å; V18-Y302 VanDerWaalsContact N-O 3.15Å; V18-I307 HydrophobicContact CB-CG1 4.48Å; V18-I307 HydrophobicContact CG1-CD1 4.37Å; V18-I307 HydrophobicContact CG1-CG1 4.04Å; V18-I307 HydrophobicContact CG2-CG1 3.93Å
19T96.2Very high92.9Very high26 Ų2650.5 Ų50.516%0.1628%0.275CS..EExtended strand (participates in β ladder)trans-86-27.7-169.659.60000113.4W17 A34 R36 V66 S67 S288W17-T19 PolarHBondContact O-N 3.23Å; T19-A34 PolarHBondContact N-O 2.93Å; T19-A34 PolarHBondContact OG1-O 3.29Å; T19-R36 HydrophobicContact CG2-CG 3.83Å; T19-V66 PolarHBondContact OG1-O 2.95Å; T19-S67 VanDerWaalsContact CB-O 3.23Å; T19-S67 WeakPolarHBondContact CB-O 3.49Å; T19-S67 PolarHBondContact OG1-O 2.77Å; T19-S288 WeakPolarHBondContact O-CB 3.42Å
20Q97.2Very high93.2Very high36 Ų3651 Ų5117%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-154.4148.3177.4-173.569.47.600110.7S33 A34 D68 V69 S288Q20-S33 CarbonylContact O-C 3.58Å; Q20-S33 VanDerWaalsContact O-CA 3.29Å; Q20-S33 WeakPolarHBondContact O-CA 3.43Å; Q20-A34 HydrophobicContact CB-CB 4.2Å; Q20-A34 PolarHBondContact O-N 3.07Å; Q20-D68 WeakPolarHBondContact CG-OD1 3.48Å; Q20-V69 HydrophobicContact CB-CG1 4.08Å; Q20-V69 HydrophobicContact CG-CG1 4.01Å; Q20-S288 VanDerWaalsContact CA-CB 3.47Å
21I97.1Very high93.4Very high2 Ų249.2 Ų49.21%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-123.7142.4170.1-57.3171.8000108.1V18 L32 A290 F299 I307V18-I21 HydrophobicContact CG1-CD1 4.31Å; V18-I21 HydrophobicContact CG1-CG1 3.91Å; I21-L32 CarbonylContact C-O 3.51Å; I21-L32 WeakPolarHBondContact CA-O 3.4Å; I21-A290 HydrophobicContact CB-CB 3.84Å; I21-A290 HydrophobicContact CG2-CB 3.74Å; I21-F299 HydrophobicContact CD1-CB 3.96Å; I21-F299 HydrophobicContact CG2-CB 4.02Å; I21-I307 HydrophobicContact CD1-CD1 4.39Å; I21-I307 HydrophobicContact CD1-CG1 4.23Å; I21-I307 HydrophobicContact CD1-CG2 3.63Å
22A95.8Very high93.6Very high9 Ų949.2 Ų49.27%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-131.2141.417400000110.6L32 V69 I71A22-L32 PolarHBondContact N-O 3.11Å; A22-L32 PolarHBondContact O-N 2.79Å; A22-V69 HydrophobicContact CB-CG1 4.28Å; A22-I71 HydrophobicContact CB-CD1 4.01Å; A22-I71 HydrophobicContact CB-CG1 3.81Å
23T94.6Very high93.8Very high41 Ų4142.4 Ų42.425%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-120.4159.7178.358.90000109.2I31 A290 W291 F299T23-I31 HydrophobicContact CG2-CG2 4.04Å; T23-A290 HydrophobicContact CG2-CB 4.07Å; T23-W291 WeakPolarHBondContact CB-O 3.45Å; T23-W291 VanDerWaalsContact CG2-O 3.31Å; T23-W291 WeakPolarHBondContact CG2-O 3.34Å; T23-W291 PolarHBondContact OG1-O 2.92Å; T23-F299 HydrophobicContact CG2-CD2 3.85Å; T23-F299 HydrophobicContact CG2-CE2 4Å
24T92.3Very high94.1Very high4 Ų440.5 Ų40.53%0.02521%0.214CC..  trans-132.1137.51761750000110.5Q26 F27 M30 I71T24-Q26 VanDerWaalsContact C-N 3.27Å; T24-Q26 PolarHBondContact O-N 3.14Å; T24-Q26 PolarHBondContact OG1-N 3.23Å; T24-F27 HydrophobicContact CG2-CB 3.82Å; T24-F27 HydrophobicContact CG2-CD2 4.35Å; T24-F27 CarbonylContact O-C 3.52Å; T24-M30 HydrophobicContact CG2-CE 3.83Å; T24-I71 HydrophobicContact CG2-CD1 4.19Å; T24-I71 HydrophobicContact CG2-CG2 4.38Å
25P88.6Confident94.3Very high99 Ų9940 Ų4064%0.64321%0.212SC*.SBendtrans-64.5-29.3173.6-22.234000114.1A293P25-A293 VanDerWaalsContact CA-CB 3.48Å; P25-A293 HydrophobicContact CB-CB 3.89Å; P25-A293 HydrophobicContact CG-CB 4.09Å
26Q89.9Confident94.4Very high124 Ų12437.3 Ų37.358%0.57919%0.191SC*.SBendtrans-74.6-32.6-175.2-170.559.429.600112.7T24T24-Q26 VanDerWaalsContact C-N 3.27Å; T24-Q26 PolarHBondContact O-N 3.14Å; T24-Q26 PolarHBondContact OG1-N 3.23Å
27F91.1Very high94.4Very high79 Ų7938.3 Ų38.335%0.34620%0.195SC..  trans-128.978.1179.2-57.5-69.6000109.4T24 D29 M30T24-F27 HydrophobicContact CG2-CB 3.82Å; T24-F27 HydrophobicContact CG2-CD2 4.35Å; T24-F27 CarbonylContact O-C 3.52Å; F27-D29 PolarHBondContact O-N 2.93Å; F27-D29 VanDerWaalsContact O-N 3.11Å; F27-M30 HydrophobicContact CB-CB 3.93Å; F27-M30 HydrophobicContact CB-CE 4.19Å; F27-M30 HydrophobicContact CD2-CE 4.13Å; F27-M30 PolarHBondContact O-N 2.97Å
28P88.8Confident94.4Very high67 Ų6738.4 Ų38.444%0.43520%0.198SC..THydrogen-bonded Turntrans-65.6-16.2-176.727.7-36.1000113.3M30 R47P28-M30 VanDerWaalsContact C-N 3.3Å; P28-R47 PolarHBondContact O-NH2 2.9Å
29D91.1Very high94.3Very high76 Ų7638.9 Ų38.941%0.40620%0.201SC..THydrogen-bonded Turntrans-88.71.9176-57.6-25.6000112.7F27 K44 L45 R47F27-D29 PolarHBondContact O-N 2.93Å; F27-D29 VanDerWaalsContact O-N 3.11Å; D29-K44 CarbonylContact O-C 3.57Å; D29-K44 WeakPolarHBondContact O-CA 3.26Å; D29-L45 PolarHBondContact O-N 3.1Å; D29-R47 IonicContact OD1-CZ 3.31Å; D29-R47 IonicContact OD1-NH1 3.12Å; D29-R47 PolarHBondContact OD1-NH1 3.24Å; D29-R47 IonicContact OD1-NH2 2.65Å; D29-R47 PolarHBondContact OD1-NH2 2.97Å
30M93.5Very high94.3Very high24 Ų2437.6 Ų37.612%0.11819%0.193CC..EExtended strand (participates in β ladder)trans-117.2130.6178.3-175-179.269.400110.1T24 F27 P28 M42 W43 L92T24-M30 HydrophobicContact CG2-CE 3.83Å; F27-M30 HydrophobicContact CB-CB 3.93Å; F27-M30 HydrophobicContact CB-CE 4.19Å; F27-M30 HydrophobicContact CD2-CE 4.13Å; F27-M30 PolarHBondContact O-N 2.97Å; P28-M30 VanDerWaalsContact C-N 3.3Å; M30-M42 HydrophobicContact CG-CG 3.92Å; M30-M42 HydrophobicContact CG-SD 4.33Å; M30-M42 HydrophobicContact SD-CG 3.95Å; M30-M42 HydrophobicContact SD-SD 3.57Å; M30-W43 WeakPolarHBondContact CA-O 3.47Å; M30-L92 HydrophobicContact CE-CD1 3.67Å; M30-L92 HydrophobicContact SD-CD1 4.28Å
31I95.5Very high94.3Very high1 Ų136.3 Ų36.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-128.2150.3168.766.6165.2000109.9L11 T23 W43 L45 F299L11-I31 HydrophobicContact CD1-CD1 3.47Å; L11-I31 VanDerWaalsContact CD1-CD1 3.47Å; T23-I31 HydrophobicContact CG2-CG2 4.04Å; I31-W43 HydrophobicContact CD1-CB 4.32Å; I31-W43 HydrophobicContact CD1-CG 4.27Å; I31-W43 HydrophobicContact CG1-CB 3.63Å; I31-W43 HydrophobicContact CG1-CG 3.92Å; I31-W43 PolarHBondContact N-O 3.07Å; I31-W43 PolarHBondContact O-N 2.92Å; I31-L45 HydrophobicContact CD1-CD2 4.11Å; I31-L45 HydrophobicContact CG1-CD2 4.07Å; I31-L45 HydrophobicContact CG2-CD1 3.84Å; I31-L45 HydrophobicContact CG2-CD2 4.48Å; I31-L45 HydrophobicContact CG2-CG 4.33Å; I31-F299 HydrophobicContact CD1-CD1 3.95Å; I31-F299 HydrophobicContact CD1-CE1 4.13Å; I31-F299 HydrophobicContact CD1-CG 4.45Å; I31-F299 HydrophobicContact CG2-CD2 4.44Å; I31-F299 HydrophobicContact CG2-CE1 4.38Å; I31-F299 HydrophobicContact CG2-CE2 4.01Å; I31-F299 HydrophobicContact CG2-CZ 4Å
32L96.6Very high94.2Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-112.9143.8171-60.6-172.3000110I21 A22 I40 I41 M42 V69 I71 A78 L92I21-L32 CarbonylContact C-O 3.51Å; I21-L32 WeakPolarHBondContact CA-O 3.4Å; A22-L32 PolarHBondContact N-O 3.11Å; A22-L32 PolarHBondContact O-N 2.79Å; L32-I40 HydrophobicContact CB-CG2 4.3Å; L32-I41 WeakPolarHBondContact CA-O 3.41Å; L32-M42 HydrophobicContact CD2-CB 3.54Å; L32-M42 HydrophobicContact CD2-CG 3.7Å; L32-V69 HydrophobicContact CB-CG2 4.4Å; L32-V69 HydrophobicContact CD1-CG2 4.34Å; L32-I71 HydrophobicContact CB-CD1 4.21Å; L32-I71 HydrophobicContact CB-CG1 4.41Å; L32-I71 HydrophobicContact CD1-CD1 3.91Å; L32-I71 HydrophobicContact CD1-CG1 3.53Å; L32-I71 HydrophobicContact CG-CD1 3.72Å; L32-I71 HydrophobicContact CG-CG1 3.93Å; L32-A78 HydrophobicContact CD1-CB 3.3Å; L32-L92 HydrophobicContact CD1-CD1 4.08Å; L32-L92 HydrophobicContact CD1-CD2 3.8Å; L32-L92 HydrophobicContact CD2-CD2 3.92Å; L32-L92 HydrophobicContact CG-CD2 4.49Å
33S97.1Very high94.2Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-135.4133.1173.257.20000111.4H14 Q20 I40 I41 W43H14-S33 WeakPolarHBondContact NE2-CB 3.45Å; H14-S33 PolarHBondContact NE2-OG 3.5Å; Q20-S33 CarbonylContact O-C 3.58Å; Q20-S33 VanDerWaalsContact O-CA 3.29Å; Q20-S33 WeakPolarHBondContact O-CA 3.43Å; S33-I40 CarbonylContact O-C 3.53Å; S33-I40 VanDerWaalsContact O-CA 3.22Å; S33-I40 WeakPolarHBondContact O-CA 3.44Å; S33-I40 WeakPolarHBondContact O-CG2 3.4Å; S33-I41 PolarHBondContact N-O 2.84Å; S33-I41 PolarHBondContact O-N 2.77Å; S33-W43 PolarHBondContact OG-NE1 2.98Å
34A97.1Very high94.2Very high0 Ų040 Ų400%020%0.198CC..EExtended strand (participates in β ladder)trans-90.8146.3171.300000110.3V18 T19 Q20 V66 V69V18-A34 CarbonylContact C-O 3.53Å; V18-A34 WeakPolarHBondContact CA-O 3.15Å; T19-A34 PolarHBondContact N-O 2.93Å; T19-A34 PolarHBondContact OG1-O 3.29Å; Q20-A34 HydrophobicContact CB-CB 4.2Å; Q20-A34 PolarHBondContact O-N 3.07Å; A34-V66 HydrophobicContact CB-CB 4.02Å; A34-V66 HydrophobicContact CB-CG1 3.6Å; A34-V69 HydrophobicContact CB-CB 4Å; A34-V69 HydrophobicContact CB-CG1 3.77Å
35S97.3Very high94.2Very high0 Ų040.1 Ų40.10%020%0.199CC..EExtended strand (participates in β ladder)trans-143.3160.6177.9175.50000113.3H14 G16 W17 D37 K38 S39 V66H14-S35 WeakPolarHBondContact CE1-CB 3.44Å; H14-S35 WeakPolarHBondContact ND1-CB 3.44Å; G16-S35 PolarHBondContact O-OG 3.44Å; W17-S35 WeakPolarHBondContact O-CA 3.48Å; W17-S35 WeakPolarHBondContact O-CB 2.93Å; W17-S35 PolarHBondContact O-OG 2.82Å; W17-S35 VanDerWaalsContact O-OG 3.07Å; S35-D37 WeakPolarHBondContact CB-OD1 3.47Å; S35-D37 PolarHBondContact O-N 3.35Å; S35-D37 PolarHBondContact OG-N 3.37Å; S35-D37 VanDerWaalsContact OG-N 3.17Å; S35-D37 PolarHBondContact OG-OD2 3.04Å; S35-K38 PolarHBondContact O-N 3.34Å; S35-S39 PolarHBondContact N-O 2.72Å; S35-V66 PolarHBondContact O-N 2.91Å
36R95.7Very high94.2Very high84 Ų8437.9 Ų37.932%0.31718%0.183SC..THydrogen-bonded Turntrans-64.6-11.2167.6-67.3-167.7176.71801.3113.7W17 T19 K38 F65W17-R36 HydrophobicContact CB-CG 4.18Å; W17-R36 VanDerWaalsContact CE3-NH1 3.34Å; W17-R36 PolarHBondContact O-N 2.69Å; T19-R36 HydrophobicContact CG2-CG 3.83Å; R36-K38 PolarHBondContact O-N 3.11Å; R36-K38 VanDerWaalsContact O-N 3.12Å; R36-F65 HydrophobicContact CB-CB 4.49Å; R36-F65 HydrophobicContact CB-CD1 3.85Å; R36-F65 HydrophobicContact CB-CE1 4.24Å; R36-F65 HydrophobicContact CB-CG 4.1Å; R36-F65 HydrophobicContact CG-CB 4.22Å; R36-F65 HydrophobicContact CG-CD1 4.26Å; R36-F65 HydrophobicContact CG-CD2 4.26Å; R36-F65 HydrophobicContact CG-CG 3.99Å; R36-F65 WeakPolarHBondContact O-CD1 3.15Å
37D94.3Very high94Very high31 Ų3137.4 Ų37.417%0.16618%0.177CC..THydrogen-bonded Turntrans-70.72.2171.867.422.4000114.3H14 N15 S35 S39H14-D37 WeakPolarHBondContact CA-OD2 3.41Å; H14-D37 IonicContact CE1-OD2 3.85Å; H14-D37 IonicContact CG-OD2 3.3Å; H14-D37 IonicContact ND1-OD1 3.77Å; H14-D37 IonicContact ND1-OD2 2.81Å; H14-D37 PolarHBondContact ND1-OD2 2.84Å; N15-D37 HydrophobicContact CB-CB 4.02Å; N15-D37 PolarHBondContact N-OD2 3.3Å; S35-D37 WeakPolarHBondContact CB-OD1 3.47Å; S35-D37 PolarHBondContact O-N 3.35Å; S35-D37 PolarHBondContact OG-N 3.37Å; S35-D37 VanDerWaalsContact OG-N 3.17Å; S35-D37 PolarHBondContact OG-OD2 3.04Å; D37-S39 VanDerWaalsContact CG-OG 3.28Å; D37-S39 PolarHBondContact O-N 3.42Å; D37-S39 WeakPolarHBondContact OD1-CA 3.21Å; D37-S39 WeakPolarHBondContact OD1-CB 3.5Å; D37-S39 PolarHBondContact OD1-N 2.77Å; D37-S39 PolarHBondContact OD1-OG 3.1Å; D37-S39 PolarHBondContact OD2-OG 2.89Å
38K95.3Very high93.6Very high103 Ų10337.9 Ų37.945%0.44818%0.182SC..SBendtrans73.611178.8-46.2167.6-78.4-172.50113.3S35 R36 S63 H64S35-K38 PolarHBondContact O-N 3.34Å; R36-K38 PolarHBondContact O-N 3.11Å; R36-K38 VanDerWaalsContact O-N 3.12Å; K38-S63 WeakPolarHBondContact CD-O 3.45Å; K38-H64 WeakPolarHBondContact CG-O 3.4Å
39S95Very high92.8Very high10 Ų1043.8 Ų43.87%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-117156.1176.876.10000111.6S35 D37 L59S35-S39 PolarHBondContact N-O 2.72Å; D37-S39 VanDerWaalsContact CG-OG 3.28Å; D37-S39 PolarHBondContact O-N 3.42Å; D37-S39 WeakPolarHBondContact OD1-CA 3.21Å; D37-S39 WeakPolarHBondContact OD1-CB 3.5Å; D37-S39 PolarHBondContact OD1-N 2.77Å; D37-S39 PolarHBondContact OD1-OG 3.1Å; D37-S39 PolarHBondContact OD2-OG 2.89Å; S39-L59 WeakPolarHBondContact CA-O 3.37Å
40I96.9Very high92Very high0 Ų045.9 Ų45.90%022%0.22CC..EExtended strand (participates in β ladder)trans-109.9125.5164.8-58.9140000106.1L32 S33 L59 V66 V69 S80 W90L32-I40 HydrophobicContact CB-CG2 4.3Å; S33-I40 CarbonylContact O-C 3.53Å; S33-I40 VanDerWaalsContact O-CA 3.22Å; S33-I40 WeakPolarHBondContact O-CA 3.44Å; S33-I40 WeakPolarHBondContact O-CG2 3.4Å; I40-L59 HydrophobicContact CB-CB 4.16Å; I40-L59 HydrophobicContact CB-CD1 4.22Å; I40-L59 HydrophobicContact CG2-CD1 4.19Å; I40-L59 PolarHBondContact N-O 2.86Å; I40-L59 VanDerWaalsContact N-O 3.11Å; I40-L59 PolarHBondContact O-N 2.97Å; I40-V66 HydrophobicContact CD1-CG1 4.27Å; I40-V66 HydrophobicContact CG1-CG1 4Å; I40-V66 HydrophobicContact CG1-CG2 4.34Å; I40-V69 HydrophobicContact CG2-CG2 4.11Å; I40-S80 WeakPolarHBondContact CD1-OG 3.39Å; I40-W90 HydrophobicContact CD1-CZ2 4.39Å
41I96.6Very high91.3Very high9 Ų949.3 Ų49.35%0.04624%0.239CC..EExtended strand (participates in β ladder)trans-98.6129177.9-62.2179.2000108.5H14 L32 S33 W43 P55 R57H14-I41 VanDerWaalsContact CE1-CD1 3.44Å; H14-I41 WeakPolarHBondContact CE1-CD1 3.38Å; H14-I41 VanDerWaalsContact CE1-CG1 3.4Å; H14-I41 WeakPolarHBondContact CE1-CG1 3.5Å; H14-I41 WeakPolarHBondContact ND1-CD1 3.44Å; L32-I41 WeakPolarHBondContact CA-O 3.41Å; S33-I41 PolarHBondContact N-O 2.84Å; S33-I41 PolarHBondContact O-N 2.77Å; I41-W43 HydrophobicContact CB-CZ2 4.03Å; I41-W43 HydrophobicContact CD1-CZ2 4Å; I41-W43 HydrophobicContact CG2-CD2 3.81Å; I41-W43 HydrophobicContact CG2-CE3 4.46Å; I41-W43 HydrophobicContact CG2-CG 4.14Å; I41-W43 HydrophobicContact CG2-CH2 4.33Å; I41-W43 HydrophobicContact CG2-CZ2 3.66Å; I41-P55 HydrophobicContact CG2-CB 3.6Å; I41-R57 WeakPolarHBondContact CA-O 3.33Å
42M96.1Very high90.9Very high7 Ų749.7 Ų49.73%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-91.9121166.2180173.56100108.3M30 L32 Q56 R57 L92M30-M42 HydrophobicContact CG-CG 3.92Å; M30-M42 HydrophobicContact CG-SD 4.33Å; M30-M42 HydrophobicContact SD-CG 3.95Å; M30-M42 HydrophobicContact SD-SD 3.57Å; L32-M42 HydrophobicContact CD2-CB 3.54Å; L32-M42 HydrophobicContact CD2-CG 3.7Å; M42-Q56 HydrophobicContact CE-CB 4.43Å; M42-Q56 HydrophobicContact CE-CG 4.27Å; M42-Q56 WeakPolarHBondContact O-CB 3.26Å; M42-Q56 PolarHBondContact O-N 3Å; M42-R57 HydrophobicContact CB-CB 4.39Å; M42-R57 HydrophobicContact CE-CB 3.67Å; M42-R57 PolarHBondContact N-O 3.16Å; M42-R57 PolarHBondContact O-N 3.13Å; M42-L92 HydrophobicContact SD-CB 4.36Å; M42-L92 HydrophobicContact SD-CD2 4.28Å
43W95.3Very high90.5Very high1 Ų150 Ų500%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-106.3142.3-179.9-52.279.1000110L11 K12 H14 M30 I31 S33 I41 I54 P55 I307L11-W43 HydrophobicContact CB-CD2 4.32Å; L11-W43 HydrophobicContact CB-CE3 3.85Å; L11-W43 HydrophobicContact CB-CH2 3.97Å; L11-W43 HydrophobicContact CB-CZ2 4.43Å; L11-W43 HydrophobicContact CB-CZ3 3.66Å; L11-W43 HydrophobicContact CD1-CD2 4.19Å; L11-W43 HydrophobicContact CD1-CE3 4.3Å; L11-W43 HydrophobicContact CD1-CG 4.36Å; L11-W43 HydrophobicContact CD2-CE3 4.33Å; L11-W43 HydrophobicContact CG-CE3 4.41Å; K12-W43 WeakPolarHBondContact O-CH2 3.48Å; H14-W43 AromaticContact CD2-CZ2 3.89Å; M30-W43 WeakPolarHBondContact CA-O 3.47Å; I31-W43 HydrophobicContact CD1-CB 4.32Å; I31-W43 HydrophobicContact CD1-CG 4.27Å; I31-W43 HydrophobicContact CG1-CB 3.63Å; I31-W43 HydrophobicContact CG1-CG 3.92Å; I31-W43 PolarHBondContact N-O 3.07Å; I31-W43 PolarHBondContact O-N 2.92Å; S33-W43 PolarHBondContact OG-NE1 2.98Å; I41-W43 HydrophobicContact CB-CZ2 4.03Å; I41-W43 HydrophobicContact CD1-CZ2 4Å; I41-W43 HydrophobicContact CG2-CD2 3.81Å; I41-W43 HydrophobicContact CG2-CE3 4.46Å; I41-W43 HydrophobicContact CG2-CG 4.14Å; I41-W43 HydrophobicContact CG2-CH2 4.33Å; I41-W43 HydrophobicContact CG2-CZ2 3.66Å; W43-I54 WeakPolarHBondContact CA-O 3.35Å; W43-P55 HydrophobicContact CD2-CB 4.44Å; W43-P55 HydrophobicContact CE3-CB 3.91Å; W43-P55 HydrophobicContact CE3-CG 4.44Å; W43-P55 HydrophobicContact CH2-CB 4.22Å; W43-P55 HydrophobicContact CZ3-CB 3.79Å; W43-P55 HydrophobicContact CZ3-CG 4.02Å; W43-I307 HydrophobicContact CZ2-CD1 4.07Å
44K93.9Very high90.3Very high120 Ų12054.5 Ų54.552%0.52227%0.267SS..EExtended strand (participates in β ladder)trans-101.8119.4164.8-175.2176.5179.5-179.30108.3D29 G53 I54 Q56D29-K44 CarbonylContact O-C 3.57Å; D29-K44 WeakPolarHBondContact O-CA 3.26Å; K44-G53 CarbonylContact O-C 3.52Å; K44-G53 WeakPolarHBondContact O-CA 3.27Å; K44-I54 PolarHBondContact N-O 2.49Å; K44-I54 PolarHBondContact O-N 3.41Å; K44-Q56 HydrophobicContact CB-CB 4.46Å
45L92.7Very high90.1Very high7 Ų757.3 Ų57.34%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-81116.7177.6-55.5-178000108.9L11 D29 I31 Y52 F299L11-L45 HydrophobicContact CD1-CD2 4.29Å; D29-L45 PolarHBondContact O-N 3.1Å; I31-L45 HydrophobicContact CD1-CD2 4.11Å; I31-L45 HydrophobicContact CG1-CD2 4.07Å; I31-L45 HydrophobicContact CG2-CD1 3.84Å; I31-L45 HydrophobicContact CG2-CD2 4.48Å; I31-L45 HydrophobicContact CG2-CG 4.33Å; L45-Y52 HydrophobicContact CB-CE1 4.41Å; L45-Y52 HydrophobicContact CD1-CE1 4.09Å; L45-Y52 HydrophobicContact CD2-CD1 3.85Å; L45-Y52 HydrophobicContact CD2-CE1 3.87Å; L45-Y52 HydrophobicContact CG-CE1 4.35Å; L45-F299 HydrophobicContact CD1-CE1 4.07Å; L45-F299 HydrophobicContact CD1-CZ 3.64Å; L45-F299 HydrophobicContact CD2-CE1 4.28Å
46T88.7Confident89.8Confident52 Ų5262.7 Ų62.732%0.31931%0.31SS..  trans-94.4-19.6171.957.90000111.4D48 N51 Y52 I54T46-D48 WeakPolarHBondContact CB-OD2 3.41Å; T46-D48 PolarHBondContact O-N 2.98Å; T46-D48 PolarHBondContact OG1-OD2 2.75Å; T46-N51 PolarHBondContact OG1-O 2.89Å; T46-Y52 PolarHBondContact N-O 3.04Å; T46-I54 HydrophobicContact CG2-CD1 4.44Å
47R86.4Confident89.7Confident115 Ų11563 Ų6343%0.43431%0.311SS..  trans58.527.3-176.6-52.3-171.4-179.587.46.1113.3P28 D29 Y52P28-R47 PolarHBondContact O-NH2 2.9Å; D29-R47 IonicContact OD1-CZ 3.31Å; D29-R47 IonicContact OD1-NH1 3.12Å; D29-R47 PolarHBondContact OD1-NH1 3.24Å; D29-R47 IonicContact OD1-NH2 2.65Å; D29-R47 PolarHBondContact OD1-NH2 2.97Å; R47-Y52 HydrophobicContact CB-CE2 4.28Å; R47-Y52 HydrophobicContact CG-CE1 4.33Å; R47-Y52 HydrophobicContact CG-CE2 4.19Å; R47-Y52 PolarHBondContact N-O 2.8Å
48D82.3Confident89.6Confident88 Ų8863.8 Ų63.847%0.47132%0.322SS..  trans-73.6152.9173.9-56.5-45.4000110.8T46 T50 N51T46-D48 WeakPolarHBondContact CB-OD2 3.41Å; T46-D48 PolarHBondContact O-N 2.98Å; T46-D48 PolarHBondContact OG1-OD2 2.75Å; D48-T50 VanDerWaalsContact C-N 3.26Å; D48-T50 PolarHBondContact O-N 3.17Å; D48-N51 CarbonylContact O-C 3.59Å
49E71.9Confident89.6Confident191 Ų19159 Ų5989%0.89330%0.301SS*.SBendtrans-65.6-26.4-176.3-64-174.1165.600113.7
50T72.9Confident89.5Confident120 Ų12066.2 Ų66.274%0.73633%0.332SS*.SBendtrans-94.7-41.9-177.5530000112.7D48D48-T50 VanDerWaalsContact C-N 3.26Å; D48-T50 PolarHBondContact O-N 3.17Å
51N80Confident89.3Confident97 Ų9768 Ų6852%0.51935%0.349SS..  trans-132.2104.1178.3-69-33.9000108.5T46 D48 G53T46-N51 PolarHBondContact OG1-O 2.89Å; D48-N51 CarbonylContact O-C 3.59Å; N51-G53 PolarHBondContact O-N 2.77Å; N51-G53 VanDerWaalsContact O-N 3.1Å
52Y86.6Confident89.2Confident8 Ų868 Ų683%0.03135%0.35CS..SBendtrans-61.7-25-177.3-167.6-88.7000112.7R8 L11 L45 T46 R47 F299 V309R8-Y52 HydrophobicContact CB-CD2 4.06Å; R8-Y52 HydrophobicContact CB-CE2 4.06Å; L11-Y52 HydrophobicContact CD2-CD1 4.39Å; L45-Y52 HydrophobicContact CB-CE1 4.41Å; L45-Y52 HydrophobicContact CD1-CE1 4.09Å; L45-Y52 HydrophobicContact CD2-CD1 3.85Å; L45-Y52 HydrophobicContact CD2-CE1 3.87Å; L45-Y52 HydrophobicContact CG-CE1 4.35Å; T46-Y52 PolarHBondContact N-O 3.04Å; R47-Y52 HydrophobicContact CB-CE2 4.28Å; R47-Y52 HydrophobicContact CG-CE1 4.33Å; R47-Y52 HydrophobicContact CG-CE2 4.19Å; R47-Y52 PolarHBondContact N-O 2.8Å; Y52-F299 HydrophobicContact CD1-CE1 4.47Å; Y52-F299 AromaticContact CE1-CE1 3.86Å; Y52-F299 HydrophobicContact CE1-CE1 3.86Å; Y52-F299 HydrophobicContact CE1-CZ 4.32Å; Y52-V309 HydrophobicContact CD1-CB 4.22Å; Y52-V309 HydrophobicContact CD1-CG1 3.97Å; Y52-V309 HydrophobicContact CD1-CG2 3.75Å; Y52-V309 HydrophobicContact CD2-CB 4.43Å; Y52-V309 HydrophobicContact CD2-CG1 4.2Å; Y52-V309 HydrophobicContact CE1-CB 4.41Å; Y52-V309 HydrophobicContact CE1-CG1 3.67Å; Y52-V309 HydrophobicContact CE1-CG2 4.22Å; Y52-V309 HydrophobicContact CE2-CG1 3.89Å; Y52-V309 HydrophobicContact CG-CB 4.24Å; Y52-V309 HydrophobicContact CG-CG1 4.24Å; Y52-V309 HydrophobicContact CG-CG2 4.04Å
53G89Confident89.1Confident7 Ų772.1 Ų72.17%0.07238%0.379CS..EExtended strand (participates in β ladder)trans-170.1163.9177.700000112.7L11 K44 N51L11-G53 VanDerWaalsContact CD2-CA 3.42Å; L11-G53 WeakPolarHBondContact CD2-O 3.47Å; K44-G53 CarbonylContact O-C 3.52Å; K44-G53 WeakPolarHBondContact O-CA 3.27Å; N51-G53 PolarHBondContact O-N 2.77Å; N51-G53 VanDerWaalsContact O-N 3.1Å
54I91.9Very high89.2Confident94 Ų9475.7 Ų75.748%0.48240%0.396SS..EExtended strand (participates in β ladder)trans-120.1137.9-173.8-59.2171.2000108.5W43 K44 T46 Q56W43-I54 WeakPolarHBondContact CA-O 3.35Å; K44-I54 PolarHBondContact N-O 2.49Å; K44-I54 PolarHBondContact O-N 3.41Å; T46-I54 HydrophobicContact CG2-CD1 4.44Å; I54-Q56 PolarHBondContact O-N 2.94Å; I54-Q56 VanDerWaalsContact O-N 3.14Å
55P93.6Very high89.3Confident60 Ų6073 Ų7339%0.3938%0.384SS..EExtended strand (participates in β ladder)trans-68.8111.417429-33000109.1I41 W43I41-P55 HydrophobicContact CG2-CB 3.6Å; W43-P55 HydrophobicContact CD2-CB 4.44Å; W43-P55 HydrophobicContact CE3-CB 3.91Å; W43-P55 HydrophobicContact CE3-CG 4.44Å; W43-P55 HydrophobicContact CH2-CB 4.22Å; W43-P55 HydrophobicContact CZ3-CB 3.79Å; W43-P55 HydrophobicContact CZ3-CG 4.02Å
56Q91.4Very high89.5Confident112 Ų11272.7 Ų72.752%0.52338%0.382SS..EExtended strand (participates in β ladder)trans-81.8-38.6-178.5-172.9178.9-500111.5M42 K44 I54M42-Q56 HydrophobicContact CE-CB 4.43Å; M42-Q56 HydrophobicContact CE-CG 4.27Å; M42-Q56 WeakPolarHBondContact O-CB 3.26Å; M42-Q56 PolarHBondContact O-N 3Å; K44-Q56 HydrophobicContact CB-CB 4.46Å; I54-Q56 PolarHBondContact O-N 2.94Å; I54-Q56 VanDerWaalsContact O-N 3.14Å
57R92Very high89.8Confident90 Ų9071 Ų7134%0.3437%0.373SS..EExtended strand (participates in β ladder)trans-154.1142.8-178.5-165.5171.2-69.3174-3.7111.6I41 M42 L59 L92 T93 T94I41-R57 WeakPolarHBondContact CA-O 3.33Å; M42-R57 HydrophobicContact CB-CB 4.39Å; M42-R57 HydrophobicContact CE-CB 3.67Å; M42-R57 PolarHBondContact N-O 3.16Å; M42-R57 PolarHBondContact O-N 3.13Å; R57-L59 HydrophobicContact CG-CD2 4.39Å; R57-L92 PolarHBondContact NH1-O 2.84Å; R57-T93 PolarHBondContact NH1-O 3.05Å; R57-T94 PolarHBondContact NH1-O 2.83Å; R57-T94 VanDerWaalsContact NH1-O 3.14Å
58A93.9Very high90.3Very high48 Ų4865.8 Ų65.840%0.39735%0.353SS..EExtended strand (participates in β ladder)trans-104.9115.3168.100000109.6K60A58-K60 HydrophobicContact CB-CG 4.44Å; A58-K60 PolarHBondContact O-N 3.31Å
59L94.1Very high91Very high2 Ų261.7 Ų61.71%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-80.9105.2173-52.4176.1000108S39 I40 R57 W90 L92 G95S39-L59 WeakPolarHBondContact CA-O 3.37Å; I40-L59 HydrophobicContact CB-CB 4.16Å; I40-L59 HydrophobicContact CB-CD1 4.22Å; I40-L59 HydrophobicContact CG2-CD1 4.19Å; I40-L59 PolarHBondContact N-O 2.86Å; I40-L59 VanDerWaalsContact N-O 3.11Å; I40-L59 PolarHBondContact O-N 2.97Å; R57-L59 HydrophobicContact CG-CD2 4.39Å; L59-W90 HydrophobicContact CB-CD2 4.12Å; L59-W90 HydrophobicContact CB-CE3 3.86Å; L59-W90 HydrophobicContact CB-CH2 4.35Å; L59-W90 HydrophobicContact CB-CZ3 3.97Å; L59-W90 HydrophobicContact CD1-CB 3.95Å; L59-W90 HydrophobicContact CD1-CD2 4.16Å; L59-W90 HydrophobicContact CD1-CE3 4.4Å; L59-W90 HydrophobicContact CD1-CG 3.96Å; L59-W90 HydrophobicContact CD2-CE3 4.29Å; L59-W90 HydrophobicContact CG-CE3 4.42Å; L59-L92 HydrophobicContact CD1-CD2 4.1Å; L59-G95 VanDerWaalsContact CD2-CA 3.48Å; L59-G95 WeakPolarHBondContact CD2-O 3.39Å
60K93.6Very high92.1Very high163 Ų16354.1 Ų54.171%0.70930%0.298SS*.EExtended strand (participates in β ladder)trans-107.9140.7-178.5-64.4-175.4-178.3-179.90110.2A58 W90A58-K60 HydrophobicContact CB-CG 4.44Å; A58-K60 PolarHBondContact O-N 3.31Å; K60-W90 WeakPolarHBondContact O-CH2 3.2Å
61G92Very high93.2Very high36 Ų3649.2 Ų49.237%0.37127%0.267SS..  trans163.3-24.6170.400000114.4R88G61-R88 VanDerWaalsContact CA-NH1 3.25Å; G61-R88 PolarHBondContact O-NH1 3.04Å; G61-R88 VanDerWaalsContact O-NH1 3.08Å; G61-R88 PolarHBondContact O-NH2 3.42Å
62H94.9Very high93.8Very high11 Ų1144.7 Ų44.75%0.05124%0.244CC..  trans-61.6139.8170.7-78.6-65.4000110.7V66 S80 S82 D84H62-V66 HydrophobicContact CB-CG2 4.1Å; H62-S80 PolarHBondContact NE2-OG 2.92Å; H62-S82 WeakPolarHBondContact CE1-CB 3.34Å; H62-S82 WeakPolarHBondContact ND1-CB 3.48Å; H62-D84 WeakPolarHBondContact CA-OD2 3.42Å; H62-D84 IonicContact CE1-OD2 3.57Å; H62-D84 IonicContact CG-OD2 2.88Å; H62-D84 IonicContact ND1-OD1 3.84Å; H62-D84 PolarHBondContact ND1-OD1 3.48Å; H62-D84 IonicContact ND1-OD2 3.28Å; H62-D84 PolarHBondContact ND1-OD2 3.39Å
63S94.7Very high93.7Very high93 Ų9347.8 Ų47.865%0.6527%0.266SS*.SBendtrans-87.9-16.1179.757.20000112.7K38 D84K38-S63 WeakPolarHBondContact CD-O 3.45Å; S63-D84 PolarHBondContact N-OD2 2.99Å; S63-D84 WeakPolarHBondContact OG-CB 3.09Å
64H96Very high93.6Very high76 Ų7650.6 Ų50.635%0.35228%0.28SS..SBendtrans-132.7-179.1178.1-148.2-81.8000111.4K38 V66 S82 W83 D84K38-H64 WeakPolarHBondContact CG-O 3.4Å; H64-V66 PolarHBondContact O-N 3.21Å; H64-S82 PolarHBondContact O-OG 3.03Å; H64-W83 HydrophobicContact CB-CB 4.04Å; H64-W83 AromaticContact CE1-CE3 3.72Å; H64-W83 WeakPolarHBondContact ND1-CB 3.35Å; H64-W83 AromaticContact ND1-CE3 3.85Å; H64-D84 HydrophobicContact CB-CB 4.12Å
65F95.9Very high93.4Very high63 Ų6346.2 Ų46.228%0.27626%0.258SS..  trans-48.9132.7179-53.4-23.8000111.7R36 S82 W83R36-F65 HydrophobicContact CB-CB 4.49Å; R36-F65 HydrophobicContact CB-CD1 3.85Å; R36-F65 HydrophobicContact CB-CE1 4.24Å; R36-F65 HydrophobicContact CB-CG 4.1Å; R36-F65 HydrophobicContact CG-CB 4.22Å; R36-F65 HydrophobicContact CG-CD1 4.26Å; R36-F65 HydrophobicContact CG-CD2 4.26Å; R36-F65 HydrophobicContact CG-CG 3.99Å; R36-F65 WeakPolarHBondContact O-CD1 3.15Å; F65-S82 WeakPolarHBondContact O-CA 3.46Å; F65-S82 WeakPolarHBondContact O-CB 3.22Å; F65-S82 PolarHBondContact O-OG 2.85Å; F65-W83 HydrophobicContact CB-CD2 4.32Å; F65-W83 HydrophobicContact CB-CG 4.27Å; F65-W83 HydrophobicContact CD2-CD2 4.06Å; F65-W83 AromaticContact CD2-CE3 3.63Å; F65-W83 HydrophobicContact CD2-CE3 3.63Å; F65-W83 HydrophobicContact CD2-CH2 4.23Å; F65-W83 AromaticContact CD2-CZ3 3.73Å; F65-W83 HydrophobicContact CD2-CZ3 3.73Å; F65-W83 HydrophobicContact CE2-CE3 4.24Å; F65-W83 HydrophobicContact CE2-CZ3 4.03Å; F65-W83 PolarHBondContact O-N 2.97Å
66V97.3Very high93.3Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-83.9127.6167.5-170.70000106.2T19 A34 S35 I40 H62 H64 G81T19-V66 PolarHBondContact OG1-O 2.95Å; A34-V66 HydrophobicContact CB-CB 4.02Å; A34-V66 HydrophobicContact CB-CG1 3.6Å; S35-V66 PolarHBondContact O-N 2.91Å; I40-V66 HydrophobicContact CD1-CG1 4.27Å; I40-V66 HydrophobicContact CG1-CG1 4Å; I40-V66 HydrophobicContact CG1-CG2 4.34Å; H62-V66 HydrophobicContact CB-CG2 4.1Å; H64-V66 PolarHBondContact O-N 3.21Å; V66-G81 WeakPolarHBondContact CG1-O 3.47Å
67S95.9Very high93.4Very high17 Ų1744.5 Ų44.512%0.11924%0.243CC..EExtended strand (participates in β ladder)trans-97-46.1-177.260.70000111.7T19 G81 V108 L109T19-S67 VanDerWaalsContact CB-O 3.23Å; T19-S67 WeakPolarHBondContact CB-O 3.49Å; T19-S67 PolarHBondContact OG1-O 2.77Å; S67-G81 PolarHBondContact N-O 3.48Å; S67-G81 PolarHBondContact OG-O 2.84Å; S67-V108 PolarHBondContact OG-O 3.08Å; S67-L109 WeakPolarHBondContact CB-O 3.44Å; S67-L109 VanDerWaalsContact OG-C 3.26Å; S67-L109 WeakPolarHBondContact OG-CA 3.16Å; S67-L109 PolarHBondContact OG-O 3.43Å
68D96.7Very high93.6Very high5 Ų540.2 Ų40.23%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-136147.4-172-162.36.7000109.5Q20 S80 G81 L109 S110 V111 R155Q20-D68 WeakPolarHBondContact CG-OD1 3.48Å; D68-S80 WeakPolarHBondContact O-CA 3.43Å; D68-G81 PolarHBondContact O-N 3.03Å; D68-L109 WeakPolarHBondContact CB-O 3.42Å; D68-S110 WeakPolarHBondContact OD2-CA 3.08Å; D68-S110 WeakPolarHBondContact OD2-CB 3.33Å; D68-S110 PolarHBondContact OD2-OG 3.29Å; D68-V111 HydrophobicContact CB-CG2 4.04Å; D68-V111 PolarHBondContact OD2-N 3.21Å; D68-R155 IonicContact OD1-NH2 3.42Å; D68-R155 PolarHBondContact OD1-NH2 3.28Å; D68-R155 IonicContact OD2-CZ 3.44Å; D68-R155 IonicContact OD2-NH1 2.72Å; D68-R155 PolarHBondContact OD2-NH1 2.48Å; D68-R155 IonicContact OD2-NH2 3.19Å; D68-R155 PolarHBondContact OD2-NH2 2.89Å
69V96.9Very high93.7Very high2 Ų237.9 Ų37.91%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-143.1139.3177.365.10000109.2Q20 A22 L32 A34 I40 L79Q20-V69 HydrophobicContact CB-CG1 4.08Å; Q20-V69 HydrophobicContact CG-CG1 4.01Å; A22-V69 HydrophobicContact CB-CG1 4.28Å; L32-V69 HydrophobicContact CB-CG2 4.4Å; L32-V69 HydrophobicContact CD1-CG2 4.34Å; A34-V69 HydrophobicContact CB-CB 4Å; A34-V69 HydrophobicContact CB-CG1 3.77Å; I40-V69 HydrophobicContact CG2-CG2 4.11Å; V69-L79 WeakPolarHBondContact CA-O 3.02Å
70V95.7Very high93.8Very high33 Ų3337.8 Ų37.820%0.221%0.208CC..EExtended strand (participates in β ladder)trans-139.5147.4176.961.80000109.5A78 L79 V111 F113V70-A78 WeakPolarHBondContact O-CA 3.39Å; V70-L79 HydrophobicContact CG1-CB 3.85Å; V70-L79 HydrophobicContact CG1-CD2 4.05Å; V70-L79 HydrophobicContact CG1-CG 4.41Å; V70-L79 PolarHBondContact N-O 2.87Å; V70-L79 PolarHBondContact O-N 3.32Å; V70-V111 HydrophobicContact CG1-CG2 4.11Å; V70-F113 HydrophobicContact CB-CD2 4.45Å; V70-F113 HydrophobicContact CG1-CD2 3.58Å; V70-F113 HydrophobicContact CG1-CE2 4.11Å; V70-F113 HydrophobicContact CG1-CG 4.41Å; V70-F113 HydrophobicContact CG2-CD2 4.21Å
71I94.6Very high93.9Very high16 Ų1630 Ų308%0.08217%0.174CC..EExtended strand (participates in β ladder)trans-101.7143.1177.7-54.7170.9000108.3A22 T24 L32 L92A22-I71 HydrophobicContact CB-CD1 4.01Å; A22-I71 HydrophobicContact CB-CG1 3.81Å; T24-I71 HydrophobicContact CG2-CD1 4.19Å; T24-I71 HydrophobicContact CG2-CG2 4.38Å; L32-I71 HydrophobicContact CB-CD1 4.21Å; L32-I71 HydrophobicContact CB-CG1 4.41Å; L32-I71 HydrophobicContact CD1-CD1 3.91Å; L32-I71 HydrophobicContact CD1-CG1 3.53Å; L32-I71 HydrophobicContact CG-CD1 3.72Å; L32-I71 HydrophobicContact CG-CG1 3.93Å; I71-L92 HydrophobicContact CG2-CD1 4.29Å
72S92.1Very high94.1Very high3 Ų328.3 Ų28.32%0.02116%0.156CC..  trans-65.7155.917051.20000111.5D74 G75 F77S72-D74 VanDerWaalsContact CB-OD1 3.27Å; S72-D74 WeakPolarHBondContact CB-OD1 3.39Å; S72-D74 PolarHBondContact O-N 3.46Å; S72-D74 VanDerWaalsContact O-N 3.16Å; S72-D74 PolarHBondContact OG-OD1 3.15Å; S72-G75 PolarHBondContact O-N 2.69Å; S72-F77 PolarHBondContact N-O 2.6Å; S72-F77 PolarHBondContact OG-N 2.92Å; S72-F77 PolarHBondContact OG-O 3.48Å; S72-F77 VanDerWaalsContact OG-O 3.07Å
73S86.5Confident94.2Very high73 Ų7330.5 Ų30.551%0.5116%0.164SC..THydrogen-bonded Turntrans-63.5-22.6-178.958.60000114G75 N117S73-G75 VanDerWaalsContact C-N 3.31Å; S73-N117 PolarHBondContact N-ND2 3.04Å; S73-N117 PolarHBondContact N-OD1 2.77Å; S73-N117 VanDerWaalsContact N-OD1 3.13Å; S73-N117 PolarHBondContact OG-ND2 3.24Å; S73-N117 PolarHBondContact OG-OD1 3.17Å
74D86.4Confident94.2Very high66 Ų6627.8 Ų27.835%0.35314%0.142SC..THydrogen-bonded Turntrans-79.9-8.8173.664.58000114S72 Q76S72-D74 VanDerWaalsContact CB-OD1 3.27Å; S72-D74 WeakPolarHBondContact CB-OD1 3.39Å; S72-D74 PolarHBondContact O-N 3.46Å; S72-D74 VanDerWaalsContact O-N 3.16Å; S72-D74 PolarHBondContact OG-OD1 3.15Å; D74-Q76 HydrophobicContact CB-CG 4.35Å; D74-Q76 PolarHBondContact O-N 3.08Å; D74-Q76 PolarHBondContact OD1-N 3.44Å
75G87.9Confident94.1Very high2 Ų224.6 Ų24.62%0.02113%0.13CC..SBendtrans68.610.1-178.600000115.1S72 S73 L92S72-G75 PolarHBondContact O-N 2.69Å; S73-G75 VanDerWaalsContact C-N 3.31Å; G75-L92 WeakPolarHBondContact O-CD1 3.33Å
76Q90.9Very high94Very high67 Ų6722.3 Ų22.331%0.31312%0.122SC..SBendtrans-93-29.3-177.2-63-60.9-32.400112.8D74 L92D74-Q76 HydrophobicContact CB-CG 4.35Å; D74-Q76 PolarHBondContact O-N 3.08Å; D74-Q76 PolarHBondContact OD1-N 3.44Å; Q76-L92 WeakPolarHBondContact O-CB 3.43Å; Q76-L92 PolarHBondContact O-N 2.68Å
77F93.8Very high94Very high68 Ų6822.4 Ų22.430%0.29812%0.122SC..EExtended strand (participates in β ladder)trans-119.1147-176.2-61.4-81.7000112.1S72 L89 W90 D91 T98S72-F77 PolarHBondContact N-O 2.6Å; S72-F77 PolarHBondContact OG-N 2.92Å; S72-F77 PolarHBondContact OG-O 3.48Å; S72-F77 VanDerWaalsContact OG-O 3.07Å; F77-L89 HydrophobicContact CB-CD1 3.87Å; F77-L89 HydrophobicContact CB-CG 4.43Å; F77-L89 HydrophobicContact CD1-CD1 4.48Å; F77-L89 HydrophobicContact CD1-CD2 4.31Å; F77-L89 HydrophobicContact CD1-CG 4.15Å; F77-L89 HydrophobicContact CG-CD1 4.42Å; F77-W90 CarbonylContact C-O 3.6Å; F77-W90 WeakPolarHBondContact CA-O 3.47Å; F77-W90 WeakPolarHBondContact CD1-O 3.31Å; F77-D91 HydrophobicContact CD1-CB 4.22Å; F77-D91 HydrophobicContact CE1-CB 4.02Å; F77-T98 HydrophobicContact CE1-CG2 4.28Å
78A95.1Very high94Very high0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-115.7139.8167.100000110.1L32 V70 L89 W90 L92L32-A78 HydrophobicContact CD1-CB 3.3Å; V70-A78 WeakPolarHBondContact O-CA 3.39Å; A78-L89 CarbonylContact O-C 3.6Å; A78-L89 WeakPolarHBondContact O-CA 3.36Å; A78-W90 HydrophobicContact CB-CB 4.25Å; A78-W90 PolarHBondContact N-O 2.91Å; A78-W90 PolarHBondContact O-N 2.89Å; A78-L92 HydrophobicContact CB-CD1 4.41Å; A78-L92 HydrophobicContact CB-CD2 3.83Å; A78-L92 HydrophobicContact CB-CG 4.23Å
79L96.3Very high94Very high0 Ų023.6 Ų23.60%012%0.124CC..EExtended strand (participates in β ladder)trans-113.5131.1171.5179.177.4000108.7V69 V70 L87 R88 L89 F101 V111 F113 I120V69-L79 WeakPolarHBondContact CA-O 3.02Å; V70-L79 HydrophobicContact CG1-CB 3.85Å; V70-L79 HydrophobicContact CG1-CD2 4.05Å; V70-L79 HydrophobicContact CG1-CG 4.41Å; V70-L79 PolarHBondContact N-O 2.87Å; V70-L79 PolarHBondContact O-N 3.32Å; L79-L87 HydrophobicContact CD1-CB 4.28Å; L79-L87 HydrophobicContact CD1-CD2 4.32Å; L79-R88 WeakPolarHBondContact CA-O 3.34Å; L79-L89 HydrophobicContact CB-CD1 4.47Å; L79-L89 HydrophobicContact CD1-CD1 4.48Å; L79-F101 HydrophobicContact CD1-CE2 4.18Å; L79-V111 HydrophobicContact CD2-CB 3.87Å; L79-V111 HydrophobicContact CD2-CG1 4.48Å; L79-V111 HydrophobicContact CD2-CG2 4.32Å; L79-V111 HydrophobicContact CG-CB 4.28Å; L79-V111 HydrophobicContact CG-CG2 4.34Å; L79-F113 HydrophobicContact CB-CD2 4.04Å; L79-F113 HydrophobicContact CB-CE2 3.24Å; L79-F113 HydrophobicContact CB-CZ 3.56Å; L79-F113 HydrophobicContact CD2-CD2 4.4Å; L79-F113 HydrophobicContact CD2-CE1 4.47Å; L79-F113 HydrophobicContact CD2-CE2 4.16Å; L79-F113 HydrophobicContact CD2-CZ 4.2Å; L79-F113 HydrophobicContact CG-CE2 4.3Å; L79-F113 HydrophobicContact CG-CZ 4.34Å; L79-I120 HydrophobicContact CD1-CD1 4.04Å; L79-I120 HydrophobicContact CD1-CG2 4.38Å; L79-I120 HydrophobicContact CD2-CB 4.29Å; L79-I120 HydrophobicContact CD2-CD1 4.24Å; L79-I120 HydrophobicContact CD2-CG1 4.02Å; L79-I120 HydrophobicContact CD2-CG2 3.38Å
80S96.6Very high93.9Very high0 Ų023.6 Ų23.60%012%0.124CC..EExtended strand (participates in β ladder)trans-123.4142.3177.158.10000112I40 H62 D68 L87 R88 W90I40-S80 WeakPolarHBondContact CD1-OG 3.39Å; H62-S80 PolarHBondContact NE2-OG 2.92Å; D68-S80 WeakPolarHBondContact O-CA 3.43Å; S80-L87 CarbonylContact O-C 3.55Å; S80-L87 WeakPolarHBondContact O-CA 3.32Å; S80-L87 WeakPolarHBondContact O-CB 3.29Å; S80-R88 PolarHBondContact N-O 3.35Å; S80-R88 PolarHBondContact O-N 2.99Å; S80-R88 PolarHBondContact OG-O 3Å; S80-W90 PolarHBondContact OG-NE1 3.17Å
81G96.2Very high93.9Very high0 Ų023.2 Ų23.20%012%0.121CC..EExtended strand (participates in β ladder)trans-106.4138.2167.600000110.2V66 S67 D68V66-G81 WeakPolarHBondContact CG1-O 3.47Å; S67-G81 PolarHBondContact N-O 3.48Å; S67-G81 PolarHBondContact OG-O 2.84Å; D68-G81 PolarHBondContact O-N 3.03Å
82S96.9Very high93.7Very high0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-134.5157.8-178.6178.20000112.5H62 H64 F65 D84 G85 T86 V108H62-S82 WeakPolarHBondContact CE1-CB 3.34Å; H62-S82 WeakPolarHBondContact ND1-CB 3.48Å; H64-S82 PolarHBondContact O-OG 3.03Å; F65-S82 WeakPolarHBondContact O-CA 3.46Å; F65-S82 WeakPolarHBondContact O-CB 3.22Å; F65-S82 PolarHBondContact O-OG 2.85Å; S82-D84 WeakPolarHBondContact CB-OD1 3.47Å; S82-D84 PolarHBondContact O-N 3.28Å; S82-D84 PolarHBondContact OG-N 3.48Å; S82-G85 PolarHBondContact O-N 2.84Å; S82-T86 PolarHBondContact N-O 2.85Å; S82-V108 CarbonylContact C-O 3.58Å; S82-V108 WeakPolarHBondContact O-CB 3.34Å; S82-V108 PolarHBondContact O-N 2.78Å
83W96.3Very high93.7Very high56 Ų5626.7 Ų26.721%0.21214%0.142CC..THydrogen-bonded Turntrans-69.6-3.8171-6821.8000112.9H64 F65 G85 D107 R125H64-W83 HydrophobicContact CB-CB 4.04Å; H64-W83 AromaticContact CE1-CE3 3.72Å; H64-W83 WeakPolarHBondContact ND1-CB 3.35Å; H64-W83 AromaticContact ND1-CE3 3.85Å; F65-W83 HydrophobicContact CB-CD2 4.32Å; F65-W83 HydrophobicContact CB-CG 4.27Å; F65-W83 HydrophobicContact CD2-CD2 4.06Å; F65-W83 AromaticContact CD2-CE3 3.63Å; F65-W83 HydrophobicContact CD2-CE3 3.63Å; F65-W83 HydrophobicContact CD2-CH2 4.23Å; F65-W83 AromaticContact CD2-CZ3 3.73Å; F65-W83 HydrophobicContact CD2-CZ3 3.73Å; F65-W83 HydrophobicContact CE2-CE3 4.24Å; F65-W83 HydrophobicContact CE2-CZ3 4.03Å; F65-W83 PolarHBondContact O-N 2.97Å; W83-G85 PolarHBondContact O-N 2.83Å; W83-D107 HydrophobicContact CB-CB 4Å; W83-D107 HydrophobicContact CD2-CB 4.4Å; W83-D107 HydrophobicContact CG-CB 3.86Å; W83-R125 VanDerWaalsContact CH2-NH2 3.32Å; W83-R125 VanDerWaalsContact CZ2-NH2 3.28Å
84D94.3Very high93.8Very high36 Ų3626.7 Ų26.719%0.19314%0.139CC..THydrogen-bonded Turntrans-73.40.8167.469.812.8000113.5H62 S63 H64 S82 T86H62-D84 WeakPolarHBondContact CA-OD2 3.42Å; H62-D84 IonicContact CE1-OD2 3.57Å; H62-D84 IonicContact CG-OD2 2.88Å; H62-D84 IonicContact ND1-OD1 3.84Å; H62-D84 PolarHBondContact ND1-OD1 3.48Å; H62-D84 IonicContact ND1-OD2 3.28Å; H62-D84 PolarHBondContact ND1-OD2 3.39Å; S63-D84 PolarHBondContact N-OD2 2.99Å; S63-D84 WeakPolarHBondContact OG-CB 3.09Å; H64-D84 HydrophobicContact CB-CB 4.12Å; S82-D84 WeakPolarHBondContact CB-OD1 3.47Å; S82-D84 PolarHBondContact O-N 3.28Å; S82-D84 PolarHBondContact OG-N 3.48Å; D84-T86 VanDerWaalsContact CG-OG1 3.24Å; D84-T86 PolarHBondContact O-N 2.64Å; D84-T86 WeakPolarHBondContact OD1-CA 3.45Å; D84-T86 VanDerWaalsContact OD1-CB 3.31Å; D84-T86 WeakPolarHBondContact OD1-CB 2.95Å; D84-T86 PolarHBondContact OD1-N 3.29Å; D84-T86 PolarHBondContact OD1-OG1 2.81Å; D84-T86 PolarHBondContact OD2-OG1 2.93Å
85G93.4Very high93.9Very high9 Ų924.3 Ų24.39%0.09313%0.13CC..SBendtrans78.16.4-179.500000113.6S82 W83 K106S82-G85 PolarHBondContact O-N 2.84Å; W83-G85 PolarHBondContact O-N 2.83Å; G85-K106 WeakPolarHBondContact CA-O 3.48Å
86T95.4Very high94.1Very high16 Ų1627.8 Ų27.810%0.09815%0.151CC..EExtended strand (participates in β ladder)trans-114.4152-179.876.10000111.8S82 D84 R100 F101 V102S82-T86 PolarHBondContact N-O 2.85Å; D84-T86 VanDerWaalsContact CG-OG1 3.24Å; D84-T86 PolarHBondContact O-N 2.64Å; D84-T86 WeakPolarHBondContact OD1-CA 3.45Å; D84-T86 VanDerWaalsContact OD1-CB 3.31Å; D84-T86 WeakPolarHBondContact OD1-CB 2.95Å; D84-T86 PolarHBondContact OD1-N 3.29Å; D84-T86 PolarHBondContact OD1-OG1 2.81Å; D84-T86 PolarHBondContact OD2-OG1 2.93Å; T86-R100 HydrophobicContact CG2-CG 4.42Å; T86-F101 WeakPolarHBondContact CA-O 3.5Å; T86-V102 HydrophobicContact CG2-CG2 4.24Å
87L96.6Very high94.3Very high1 Ų127 Ų271%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-103.4153160.4-50.766.6000108.7L79 S80 R100 F101 V108 V111 I120 W132L79-L87 HydrophobicContact CD1-CB 4.28Å; L79-L87 HydrophobicContact CD1-CD2 4.32Å; S80-L87 CarbonylContact O-C 3.55Å; S80-L87 WeakPolarHBondContact O-CA 3.32Å; S80-L87 WeakPolarHBondContact O-CB 3.29Å; L87-R100 WeakPolarHBondContact O-CA 3.49Å; L87-F101 HydrophobicContact CB-CB 3.85Å; L87-F101 HydrophobicContact CB-CD2 3.95Å; L87-F101 HydrophobicContact CB-CG 4.07Å; L87-F101 HydrophobicContact CD1-CB 4.09Å; L87-F101 HydrophobicContact CG-CB 4.41Å; L87-F101 PolarHBondContact N-O 3.38Å; L87-F101 VanDerWaalsContact N-O 3.08Å; L87-F101 PolarHBondContact O-N 2.95Å; L87-V108 HydrophobicContact CD1-CG1 4.32Å; L87-V108 HydrophobicContact CD1-CG2 3.99Å; L87-V108 HydrophobicContact CG-CG1 4.34Å; L87-V111 HydrophobicContact CD2-CG1 3.62Å; L87-V111 HydrophobicContact CG-CG1 3.85Å; L87-I120 HydrophobicContact CD2-CG2 3.97Å; L87-W132 HydrophobicContact CD1-CZ2 4.14Å
88R95.9Very high94.3Very high36 Ų3626.7 Ų26.714%0.13616%0.155CC..EExtended strand (participates in β ladder)trans-132.1133.9175-70.3-177.5-174.1-149.86.7110.8G61 L79 S80 W90 T97 R99 R100G61-R88 VanDerWaalsContact CA-NH1 3.25Å; G61-R88 PolarHBondContact O-NH1 3.04Å; G61-R88 VanDerWaalsContact O-NH1 3.08Å; G61-R88 PolarHBondContact O-NH2 3.42Å; L79-R88 WeakPolarHBondContact CA-O 3.34Å; S80-R88 PolarHBondContact N-O 3.35Å; S80-R88 PolarHBondContact O-N 2.99Å; S80-R88 PolarHBondContact OG-O 3Å; R88-W90 HydrophobicContact CB-CZ2 4Å; R88-W90 VanDerWaalsContact CD-CZ2 3.49Å; R88-W90 HydrophobicContact CG-CZ2 4.41Å; R88-T97 HydrophobicContact CB-CG2 3.98Å; R88-T97 HydrophobicContact CG-CG2 3.99Å; R88-R99 WeakPolarHBondContact CA-O 3.23Å; R88-R100 HydrophobicContact CG-CG 4.42Å
89L95.9Very high94.2Very high11 Ų1131.1 Ų31.16%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-95.2124.4166.8-170.669.6000107.8F77 A78 L79 T97 T98 R99 F101 F113F77-L89 HydrophobicContact CB-CD1 3.87Å; F77-L89 HydrophobicContact CB-CG 4.43Å; F77-L89 HydrophobicContact CD1-CD1 4.48Å; F77-L89 HydrophobicContact CD1-CD2 4.31Å; F77-L89 HydrophobicContact CD1-CG 4.15Å; F77-L89 HydrophobicContact CG-CD1 4.42Å; A78-L89 CarbonylContact O-C 3.6Å; A78-L89 WeakPolarHBondContact O-CA 3.36Å; L79-L89 HydrophobicContact CB-CD1 4.47Å; L79-L89 HydrophobicContact CD1-CD1 4.48Å; L89-T97 CarbonylContact O-C 3.58Å; L89-T97 WeakPolarHBondContact O-CA 3.5Å; L89-T98 PolarHBondContact O-N 3.46Å; L89-T98 PolarHBondContact O-OG1 3.29Å; L89-T98 VanDerWaalsContact O-OG1 3.1Å; L89-R99 HydrophobicContact CB-CB 4.2Å; L89-R99 PolarHBondContact N-O 2.9Å; L89-R99 PolarHBondContact O-N 2.78Å; L89-F101 HydrophobicContact CB-CE2 3.85Å; L89-F101 HydrophobicContact CB-CZ 4.4Å; L89-F113 HydrophobicContact CD1-CZ 3.65Å
90W95.5Very high94.1Very high3 Ų338.6 Ų38.61%0.01120%0.2CC..EExtended strand (participates in β ladder)trans-111.3135.2179.8-54.587.3000108.6I40 L59 K60 F77 A78 S80 R88 T96 T97I40-W90 HydrophobicContact CD1-CZ2 4.39Å; L59-W90 HydrophobicContact CB-CD2 4.12Å; L59-W90 HydrophobicContact CB-CE3 3.86Å; L59-W90 HydrophobicContact CB-CH2 4.35Å; L59-W90 HydrophobicContact CB-CZ3 3.97Å; L59-W90 HydrophobicContact CD1-CB 3.95Å; L59-W90 HydrophobicContact CD1-CD2 4.16Å; L59-W90 HydrophobicContact CD1-CE3 4.4Å; L59-W90 HydrophobicContact CD1-CG 3.96Å; L59-W90 HydrophobicContact CD2-CE3 4.29Å; L59-W90 HydrophobicContact CG-CE3 4.42Å; K60-W90 WeakPolarHBondContact O-CH2 3.2Å; F77-W90 CarbonylContact C-O 3.6Å; F77-W90 WeakPolarHBondContact CA-O 3.47Å; F77-W90 WeakPolarHBondContact CD1-O 3.31Å; A78-W90 HydrophobicContact CB-CB 4.25Å; A78-W90 PolarHBondContact N-O 2.91Å; A78-W90 PolarHBondContact O-N 2.89Å; S80-W90 PolarHBondContact OG-NE1 3.17Å; R88-W90 HydrophobicContact CB-CZ2 4Å; R88-W90 VanDerWaalsContact CD-CZ2 3.49Å; R88-W90 HydrophobicContact CG-CZ2 4.41Å; W90-T96 WeakPolarHBondContact CA-O 3.37Å; W90-T97 WeakPolarHBondContact CH2-OG1 3.4Å; W90-T97 WeakPolarHBondContact CZ3-OG1 3.18Å
91D94.7Very high94Very high25 Ų2538.6 Ų38.613%0.13420%0.2CC..EExtended strand (participates in β ladder)trans-85.6121.7164.416810.8000108.1F77 T93 T94 G95 T96 T98F77-D91 HydrophobicContact CD1-CB 4.22Å; F77-D91 HydrophobicContact CE1-CB 4.02Å; D91-T93 VanDerWaalsContact C-N 3.31Å; D91-T93 VanDerWaalsContact CG-OG1 3.28Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 2.78Å; D91-T93 PolarHBondContact OD1-OG1 2.89Å; D91-T93 PolarHBondContact OD2-OG1 2.88Å; D91-T94 WeakPolarHBondContact CB-OG1 3.48Å; D91-T94 VanDerWaalsContact CG-OG1 3.22Å; D91-T94 WeakPolarHBondContact OD2-CB 3.27Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.49Å; D91-T94 PolarHBondContact OD2-OG1 2.83Å; D91-G95 WeakPolarHBondContact O-CA 3.25Å; D91-G95 PolarHBondContact O-N 2.96Å; D91-T96 PolarHBondContact N-O 3.06Å; D91-T98 HydrophobicContact CB-CG2 3.56Å
92L92.1Very high93.9Very high8 Ų842.9 Ų42.94%0.04223%0.226CC..THydrogen-bonded Turntrans-73.1-25.2-175.9-66.9176.2000112.4M30 L32 M42 R57 L59 I71 G75 Q76 A78M30-L92 HydrophobicContact CE-CD1 3.67Å; M30-L92 HydrophobicContact SD-CD1 4.28Å; L32-L92 HydrophobicContact CD1-CD1 4.08Å; L32-L92 HydrophobicContact CD1-CD2 3.8Å; L32-L92 HydrophobicContact CD2-CD2 3.92Å; L32-L92 HydrophobicContact CG-CD2 4.49Å; M42-L92 HydrophobicContact SD-CB 4.36Å; M42-L92 HydrophobicContact SD-CD2 4.28Å; R57-L92 PolarHBondContact NH1-O 2.84Å; L59-L92 HydrophobicContact CD1-CD2 4.1Å; I71-L92 HydrophobicContact CG2-CD1 4.29Å; G75-L92 WeakPolarHBondContact O-CD1 3.33Å; Q76-L92 WeakPolarHBondContact O-CB 3.43Å; Q76-L92 PolarHBondContact O-N 2.68Å; A78-L92 HydrophobicContact CB-CD1 4.41Å; A78-L92 HydrophobicContact CB-CD2 3.83Å; A78-L92 HydrophobicContact CB-CG 4.23Å
93T90.2Very high93.6Very high83 Ų8344.5 Ų44.551%0.50924%0.242SC..THydrogen-bonded Turntrans-72-48.4178.667.60000111.2R57 D91R57-T93 PolarHBondContact NH1-O 3.05Å; D91-T93 VanDerWaalsContact C-N 3.31Å; D91-T93 VanDerWaalsContact CG-OG1 3.28Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 2.78Å; D91-T93 PolarHBondContact OD1-OG1 2.89Å; D91-T93 PolarHBondContact OD2-OG1 2.88Å
94T90.3Very high93.5Very high73 Ų7342.5 Ų42.545%0.44824%0.235SC..THydrogen-bonded Turntrans-87.7-23.6179.861.50000113.2R57 D91 T96R57-T94 PolarHBondContact NH1-O 2.83Å; R57-T94 VanDerWaalsContact NH1-O 3.14Å; D91-T94 WeakPolarHBondContact CB-OG1 3.48Å; D91-T94 VanDerWaalsContact CG-OG1 3.22Å; D91-T94 WeakPolarHBondContact OD2-CB 3.27Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.49Å; D91-T94 PolarHBondContact OD2-OG1 2.83Å; T94-T96 PolarHBondContact O-N 2.97Å; T94-T96 PolarHBondContact OG1-N 3.4Å; T94-T96 PolarHBondContact OG1-OG1 2.79Å
95G88.6Confident93.5Very high16 Ų1646.5 Ų46.517%0.16526%0.261CS..THydrogen-bonded Turntrans70.920-176.700000113.2L59 D91L59-G95 VanDerWaalsContact CD2-CA 3.48Å; L59-G95 WeakPolarHBondContact CD2-O 3.39Å; D91-G95 WeakPolarHBondContact O-CA 3.25Å; D91-G95 PolarHBondContact O-N 2.96Å
96T92.1Very high93.6Very high76 Ų7651.3 Ų51.347%0.46628%0.28SS..EExtended strand (participates in β ladder)trans-105.7151.1-176.564.80000110.7W90 D91 T94 T98W90-T96 WeakPolarHBondContact CA-O 3.37Å; D91-T96 PolarHBondContact N-O 3.06Å; T94-T96 PolarHBondContact O-N 2.97Å; T94-T96 PolarHBondContact OG1-N 3.4Å; T94-T96 PolarHBondContact OG1-OG1 2.79Å; T96-T98 PolarHBondContact O-N 2.8Å
97T94.6Very high93.6Very high49 Ų4952.4 Ų52.430%0.30129%0.285SS..EExtended strand (participates in β ladder)trans-73.6114170.4-53.40000108.3R88 L89 W90 R99R88-T97 HydrophobicContact CB-CG2 3.98Å; R88-T97 HydrophobicContact CG-CG2 3.99Å; L89-T97 CarbonylContact O-C 3.58Å; L89-T97 WeakPolarHBondContact O-CA 3.5Å; W90-T97 WeakPolarHBondContact CH2-OG1 3.4Å; W90-T97 WeakPolarHBondContact CZ3-OG1 3.18Å; T97-R99 WeakPolarHBondContact CG2-O 3.15Å
98T93.3Very high93.6Very high62 Ų6252.3 Ų52.338%0.3828%0.284SS..EExtended strand (participates in β ladder)trans-78.9-40.2176570000111F77 L89 D91 T96F77-T98 HydrophobicContact CE1-CG2 4.28Å; L89-T98 PolarHBondContact O-N 3.46Å; L89-T98 PolarHBondContact O-OG1 3.29Å; L89-T98 VanDerWaalsContact O-OG1 3.1Å; D91-T98 HydrophobicContact CB-CG2 3.56Å; T96-T98 PolarHBondContact O-N 2.8Å
99R93.8Very high93.6Very high94 Ų9451.8 Ų51.836%0.35528%0.284SS..EExtended strand (participates in β ladder)trans-144.5147.1-176.1-64.7180176.9149.83111.8R88 L89 T97 F101 T134 L135R88-R99 WeakPolarHBondContact CA-O 3.23Å; L89-R99 HydrophobicContact CB-CB 4.2Å; L89-R99 PolarHBondContact N-O 2.9Å; L89-R99 PolarHBondContact O-N 2.78Å; T97-R99 WeakPolarHBondContact CG2-O 3.15Å; R99-F101 HydrophobicContact CB-CE2 4.1Å; R99-T134 WeakPolarHBondContact CD-O 3.49Å; R99-T134 PolarHBondContact NH1-O 3.21Å; R99-L135 VanDerWaalsContact NH2-CD2 3.28Å
100R94.4Very high93.6Very high157 Ų15751.4 Ų51.459%0.59228%0.282SS*.EExtended strand (participates in β ladder)trans-119.2130.2173.4-171.3177.765.5179.6-0.1109T86 L87 R88 V102T86-R100 HydrophobicContact CG2-CG 4.42Å; L87-R100 WeakPolarHBondContact O-CA 3.49Å; R88-R100 HydrophobicContact CG-CG 4.42Å; R100-V102 HydrophobicContact CG-CG2 3.96Å
101F94.4Very high93.6Very high0 Ų051.2 Ų51.20%028%0.282CS..EExtended strand (participates in β ladder)trans-103.7116.1179.4-55.2-113.2000106.9L79 T86 L87 L89 R99 I120 W132 N133 G136L79-F101 HydrophobicContact CD1-CE2 4.18Å; T86-F101 WeakPolarHBondContact CA-O 3.5Å; L87-F101 HydrophobicContact CB-CB 3.85Å; L87-F101 HydrophobicContact CB-CD2 3.95Å; L87-F101 HydrophobicContact CB-CG 4.07Å; L87-F101 HydrophobicContact CD1-CB 4.09Å; L87-F101 HydrophobicContact CG-CB 4.41Å; L87-F101 PolarHBondContact N-O 3.38Å; L87-F101 VanDerWaalsContact N-O 3.08Å; L87-F101 PolarHBondContact O-N 2.95Å; L89-F101 HydrophobicContact CB-CE2 3.85Å; L89-F101 HydrophobicContact CB-CZ 4.4Å; R99-F101 HydrophobicContact CB-CE2 4.1Å; F101-I120 HydrophobicContact CE1-CD1 3.69Å; F101-I120 HydrophobicContact CZ-CD1 3.59Å; F101-W132 HydrophobicContact CB-CD2 4.28Å; F101-W132 HydrophobicContact CB-CE3 3.94Å; F101-W132 HydrophobicContact CB-CH2 4.28Å; F101-W132 HydrophobicContact CB-CZ3 3.94Å; F101-W132 HydrophobicContact CD1-CB 3.82Å; F101-W132 AromaticContact CD1-CD2 3.88Å; F101-W132 HydrophobicContact CD1-CD2 3.88Å; F101-W132 AromaticContact CD1-CE3 3.74Å; F101-W132 HydrophobicContact CD1-CE3 3.74Å; F101-W132 AromaticContact CD1-CG 3.94Å; F101-W132 HydrophobicContact CD1-CG 3.94Å; F101-W132 HydrophobicContact CE1-CB 3.97Å; F101-W132 HydrophobicContact CG-CE3 4.35Å; F101-N133 VanDerWaalsContact CE1-O 3.3Å; F101-N133 WeakPolarHBondContact CE1-O 3.38Å; F101-G136 VanDerWaalsContact CD1-CA 3.5Å; F101-G136 VanDerWaalsContact CE1-CA 3.45Å
102V94.2Very high93.6Very high89 Ų8950.3 Ų50.354%0.53928%0.278SS..EExtended strand (participates in β ladder)trans-120.5131.1-178.7-175.90000107.6T86 R100T86-V102 HydrophobicContact CG2-CG2 4.24Å; R100-V102 HydrophobicContact CG-CG2 3.96Å
103G90.4Very high93.6Very high34 Ų3451.1 Ų51.135%0.35128%0.281SS..  trans161-16.3177.500000115K130G103-K130 VanDerWaalsContact O-CE 3.24Å; G103-K130 WeakPolarHBondContact O-CE 3.31Å
104H93.6Very high93.5Very high14 Ų1447.5 Ų47.57%0.06526%0.259CS..  trans-72.8141.8162.7-79.1-65.8000109.8V108 S122 S124 D126 W132H104-V108 HydrophobicContact CB-CG2 4.01Å; H104-S122 PolarHBondContact CD2-OG 2.95Å; H104-S122 PolarHBondContact NE2-OG 3.02Å; H104-S124 VanDerWaalsContact CE1-CB 3.47Å; H104-S124 WeakPolarHBondContact CE1-CB 3.4Å; H104-S124 WeakPolarHBondContact ND1-CB 3.41Å; H104-D126 WeakPolarHBondContact CA-OD2 3.31Å; H104-D126 IonicContact CE1-OD1 3.71Å; H104-D126 IonicContact CE1-OD2 2.84Å; H104-D126 IonicContact CG-OD2 3.84Å; H104-D126 IonicContact ND1-OD1 2.84Å; H104-D126 PolarHBondContact ND1-OD1 3.15Å; H104-D126 IonicContact ND1-OD2 3.5Å; H104-D126 PolarHBondContact ND1-OD2 3.43Å; H104-W132 AromaticContact CD2-CZ2 3.9Å
105T93.8Very high93.2Very high120 Ų12047.8 Ų47.874%0.73627%0.269SS*.SBendtrans-92.3-14.1-178.559.40000112.9D126T105-D126 PolarHBondContact N-OD2 2.65Å; T105-D126 VanDerWaalsContact OG1-CB 3.31Å; T105-D126 WeakPolarHBondContact OG1-CB 3.08Å
106K95.3Very high93Very high111 Ų11151.1 Ų51.148%0.48328%0.283SS..SBendtrans-136.6-178.7179.1-65.5-172.6176.9179.90110.4G85 V108 S124 R125 D126G85-K106 WeakPolarHBondContact CA-O 3.48Å; K106-V108 PolarHBondContact O-N 3.29Å; K106-S124 PolarHBondContact O-OG 3.3Å; K106-R125 HydrophobicContact CB-CB 4.04Å; K106-R125 HydrophobicContact CD-CB 4.36Å; K106-D126 HydrophobicContact CB-CB 4.18Å; K106-D126 HydrophobicContact CG-CB 4.39Å
107D95.1Very high92.6Very high38 Ų3849.1 Ų49.120%0.20327%0.269CS..  trans-47.1127.4-179.9-47.2-11.9000112.6W83 L109 S124 R125W83-D107 HydrophobicContact CB-CB 4Å; W83-D107 HydrophobicContact CD2-CB 4.4Å; W83-D107 HydrophobicContact CG-CB 3.86Å; D107-L109 HydrophobicContact CB-CD2 4.47Å; D107-S124 VanDerWaalsContact O-CA 3.3Å; D107-S124 WeakPolarHBondContact O-CA 3.23Å; D107-S124 WeakPolarHBondContact O-CB 3.43Å; D107-S124 PolarHBondContact O-OG 2.83Å; D107-R125 HydrophobicContact CB-CB 4.43Å; D107-R125 HydrophobicContact CB-CG 4.12Å; D107-R125 PolarHBondContact O-N 2.89Å; D107-R125 WeakPolarHBondContact OD2-CD 3.39Å; D107-R125 IonicContact OD2-CZ 3.61Å; D107-R125 IonicContact OD2-NE 3.58Å; D107-R125 IonicContact OD2-NH1 3.46Å; D107-R125 PolarHBondContact OD2-NH1 3.29Å
108V96.8Very high92.3Very high0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-82124.9168.6-177.10000106.7S67 S82 L87 H104 K106 V111S67-V108 PolarHBondContact OG-O 3.08Å; S82-V108 CarbonylContact C-O 3.58Å; S82-V108 WeakPolarHBondContact O-CB 3.34Å; S82-V108 PolarHBondContact O-N 2.78Å; L87-V108 HydrophobicContact CD1-CG1 4.32Å; L87-V108 HydrophobicContact CD1-CG2 3.99Å; L87-V108 HydrophobicContact CG-CG1 4.34Å; H104-V108 HydrophobicContact CB-CG2 4.01Å; K106-V108 PolarHBondContact O-N 3.29Å; V108-V111 HydrophobicContact CG1-CG1 3.98Å
109L96.3Very high92.1Very high25 Ų2555 Ų5513%0.13128%0.281CS..EExtended strand (participates in β ladder)trans-98.8-35.8-178.3-64.8-175.6000111.6S67 D68 D107 G123 R125 W150 V151S67-L109 WeakPolarHBondContact CB-O 3.44Å; S67-L109 VanDerWaalsContact OG-C 3.26Å; S67-L109 WeakPolarHBondContact OG-CA 3.16Å; S67-L109 PolarHBondContact OG-O 3.43Å; D68-L109 WeakPolarHBondContact CB-O 3.42Å; D107-L109 HydrophobicContact CB-CD2 4.47Å; L109-G123 PolarHBondContact N-O 2.85Å; L109-R125 HydrophobicContact CD1-CG 3.66Å; L109-R125 HydrophobicContact CD2-CG 4.14Å; L109-R125 HydrophobicContact CG-CG 3.89Å; L109-W150 HydrophobicContact CD1-CB 4.35Å; L109-V151 WeakPolarHBondContact CD1-O 3.11Å
110S95.7Very high92.2Very high2 Ų250.6 Ų50.61%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-142.4147.2-175.9-178.60000112.9D68 S122 G123 S152 V154 R155D68-S110 WeakPolarHBondContact OD2-CA 3.08Å; D68-S110 WeakPolarHBondContact OD2-CB 3.33Å; D68-S110 PolarHBondContact OD2-OG 3.29Å; S110-S122 VanDerWaalsContact O-CA 3.23Å; S110-S122 WeakPolarHBondContact O-CA 3.21Å; S110-S122 WeakPolarHBondContact O-CB 3.43Å; S110-G123 PolarHBondContact N-O 2.97Å; S110-G123 PolarHBondContact O-N 2.61Å; S110-S152 WeakPolarHBondContact CB-O 3.3Å; S110-V154 PolarHBondContact OG-N 3.49Å; S110-V154 VanDerWaalsContact OG-N 3.07Å; S110-V154 PolarHBondContact OG-O 2.86Å; S110-R155 PolarHBondContact OG-NH1 2.76Å
111V96.1Very high92.2Very high0 Ų043.1 Ų43.10%024%0.236CC..EExtended strand (participates in β ladder)trans-135.4143.9176.9-660000109.7D68 V70 L79 L87 V108 V121 R155D68-V111 HydrophobicContact CB-CG2 4.04Å; D68-V111 PolarHBondContact OD2-N 3.21Å; V70-V111 HydrophobicContact CG1-CG2 4.11Å; L79-V111 HydrophobicContact CD2-CB 3.87Å; L79-V111 HydrophobicContact CD2-CG1 4.48Å; L79-V111 HydrophobicContact CD2-CG2 4.32Å; L79-V111 HydrophobicContact CG-CB 4.28Å; L79-V111 HydrophobicContact CG-CG2 4.34Å; L87-V111 HydrophobicContact CD2-CG1 3.62Å; L87-V111 HydrophobicContact CG-CG1 3.85Å; V108-V111 HydrophobicContact CG1-CG1 3.98Å; V111-V121 WeakPolarHBondContact CA-O 3.42Å; V111-R155 PolarHBondContact O-NH1 3.23Å; V111-R155 VanDerWaalsContact O-NH1 3.09Å
112A94.5Very high92.3Very high6 Ų643.1 Ų43.15%0.0524%0.236CC..EExtended strand (participates in β ladder)trans-144.6149.5171.700000111.5V121 F156A112-V121 HydrophobicContact CB-CG1 3.79Å; A112-V121 PolarHBondContact N-O 2.74Å; A112-V121 PolarHBondContact O-N 3.28Å; A112-F156 HydrophobicContact CB-CD2 3.94Å; A112-F156 HydrophobicContact CB-CE2 4.46Å; A112-F156 WeakPolarHBondContact O-CE2 3.4Å
113F91.8Very high92.3Very high24 Ų2438.9 Ų38.911%0.10521%0.211CC..EExtended strand (participates in β ladder)trans-94.8143.8170.7-88.3-64.8000110.9V70 L79 L89 I120 F156V70-F113 HydrophobicContact CB-CD2 4.45Å; V70-F113 HydrophobicContact CG1-CD2 3.58Å; V70-F113 HydrophobicContact CG1-CE2 4.11Å; V70-F113 HydrophobicContact CG1-CG 4.41Å; V70-F113 HydrophobicContact CG2-CD2 4.21Å; L79-F113 HydrophobicContact CB-CD2 4.04Å; L79-F113 HydrophobicContact CB-CE2 3.24Å; L79-F113 HydrophobicContact CB-CZ 3.56Å; L79-F113 HydrophobicContact CD2-CD2 4.4Å; L79-F113 HydrophobicContact CD2-CE1 4.47Å; L79-F113 HydrophobicContact CD2-CE2 4.16Å; L79-F113 HydrophobicContact CD2-CZ 4.2Å; L79-F113 HydrophobicContact CG-CE2 4.3Å; L79-F113 HydrophobicContact CG-CZ 4.34Å; L89-F113 HydrophobicContact CD1-CZ 3.65Å; F113-I120 HydrophobicContact CD1-CD1 4.43Å; F113-I120 HydrophobicContact CD1-CG1 3.68Å; F113-I120 HydrophobicContact CE1-CD1 3.72Å; F113-I120 HydrophobicContact CE1-CG1 3.48Å; F113-I120 VanDerWaalsContact CE1-CG1 3.48Å; F113-I120 HydrophobicContact CZ-CD1 4.34Å; F113-I120 HydrophobicContact CZ-CG1 4.39Å; F113-F156 WeakPolarHBondContact O-CD2 3.4Å
114S89.7Confident92.6Very high8 Ų837.2 Ų37.26%0.05619%0.194CC..  trans-69.3153.6162.658.80000110.4D116 N117 R118 Q119S114-D116 VanDerWaalsContact CB-OD1 3.27Å; S114-D116 WeakPolarHBondContact CB-OD1 3.4Å; S114-D116 PolarHBondContact O-N 3.12Å; S114-D116 VanDerWaalsContact O-N 3.17Å; S114-D116 PolarHBondContact OG-OD1 3.41Å; S114-N117 WeakPolarHBondContact O-CA 3.17Å; S114-N117 PolarHBondContact O-N 3.29Å; S114-R118 PolarHBondContact OG-N 3.07Å; S114-Q119 PolarHBondContact N-O 3.22Å; S114-Q119 PolarHBondContact OG-N 3.44Å; S114-Q119 PolarHBondContact OG-O 3.31Å
115A83.6Confident92.7Very high79 Ų7938.8 Ų38.865%0.65320%0.199SC*.THydrogen-bonded Turntrans-59.7-27.7179.300000113.4N117A115-N117 VanDerWaalsContact C-N 3.3Å
116D83.6Confident92.7Very high86 Ų8634.2 Ų34.246%0.4617%0.17SC..THydrogen-bonded Turntrans-83.90.1175.573.4-10.7000113.8S114 R118S114-D116 VanDerWaalsContact CB-OD1 3.27Å; S114-D116 WeakPolarHBondContact CB-OD1 3.4Å; S114-D116 PolarHBondContact O-N 3.12Å; S114-D116 VanDerWaalsContact O-N 3.17Å; S114-D116 PolarHBondContact OG-OD1 3.41Å; D116-R118 HydrophobicContact CB-CG 4.48Å; D116-R118 PolarHBondContact O-N 2.86Å; D116-R118 PolarHBondContact OD1-N 3.26Å; D116-R118 WeakPolarHBondContact OD2-CD 3.39Å
117N84.9Confident92.6Very high33 Ų3332.3 Ų32.318%0.17616%0.162CC..SBendtrans5413.4-173.6-58-38.5000115.3S73 S114 A115 T134S73-N117 PolarHBondContact N-ND2 3.04Å; S73-N117 PolarHBondContact N-OD1 2.77Å; S73-N117 VanDerWaalsContact N-OD1 3.13Å; S73-N117 PolarHBondContact OG-ND2 3.24Å; S73-N117 PolarHBondContact OG-OD1 3.17Å; S114-N117 WeakPolarHBondContact O-CA 3.17Å; S114-N117 PolarHBondContact O-N 3.29Å; A115-N117 VanDerWaalsContact C-N 3.3Å; N117-T134 WeakPolarHBondContact O-CG2 3.2Å
118R86.8Confident92.6Very high179 Ų17931 Ų3168%0.67516%0.155SC*.SBendtrans-89.9-22.7-177.8-67.7-178.3174.7-171.2-1.6113.3S114 D116 N133S114-R118 PolarHBondContact OG-N 3.07Å; D116-R118 HydrophobicContact CB-CG 4.48Å; D116-R118 PolarHBondContact O-N 2.86Å; D116-R118 PolarHBondContact OD1-N 3.26Å; D116-R118 WeakPolarHBondContact OD2-CD 3.39Å; R118-N133 PolarHBondContact O-OD1 2.98Å
119Q90.6Very high92.5Very high57 Ų5731 Ų3127%0.26616%0.155SC..EExtended strand (participates in β ladder)trans-124143.1-175.8-54.5-168.130.500110.2S114 F156S114-Q119 PolarHBondContact N-O 3.22Å; S114-Q119 PolarHBondContact OG-N 3.44Å; S114-Q119 PolarHBondContact OG-O 3.31Å; Q119-F156 HydrophobicContact CB-CZ 4.34Å
120I94.5Very high92.4Very high0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-122.8136.9176.5-68.2163.6000106.8L79 L87 F101 F113 L131 W132L79-I120 HydrophobicContact CD1-CD1 4.04Å; L79-I120 HydrophobicContact CD1-CG2 4.38Å; L79-I120 HydrophobicContact CD2-CB 4.29Å; L79-I120 HydrophobicContact CD2-CD1 4.24Å; L79-I120 HydrophobicContact CD2-CG1 4.02Å; L79-I120 HydrophobicContact CD2-CG2 3.38Å; L87-I120 HydrophobicContact CD2-CG2 3.97Å; F101-I120 HydrophobicContact CE1-CD1 3.69Å; F101-I120 HydrophobicContact CZ-CD1 3.59Å; F113-I120 HydrophobicContact CD1-CD1 4.43Å; F113-I120 HydrophobicContact CD1-CG1 3.68Å; F113-I120 HydrophobicContact CE1-CD1 3.72Å; F113-I120 HydrophobicContact CE1-CG1 3.48Å; F113-I120 VanDerWaalsContact CE1-CG1 3.48Å; F113-I120 HydrophobicContact CZ-CD1 4.34Å; F113-I120 HydrophobicContact CZ-CG1 4.39Å; I120-L131 CarbonylContact O-C 3.59Å; I120-L131 WeakPolarHBondContact O-CA 3.39Å; I120-W132 HydrophobicContact CB-CB 4.12Å; I120-W132 HydrophobicContact CG2-CB 4.43Å; I120-W132 PolarHBondContact N-O 2.81Å; I120-W132 PolarHBondContact O-N 3.11Å
121V95Very high92.3Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-117.5143.6171.770.60000109.5V111 A112 I129 K130 L131 V154 F156 I165V111-V121 WeakPolarHBondContact CA-O 3.42Å; A112-V121 HydrophobicContact CB-CG1 3.79Å; A112-V121 PolarHBondContact N-O 2.74Å; A112-V121 PolarHBondContact O-N 3.28Å; V121-I129 HydrophobicContact CG2-CG2 3.37Å; V121-K130 WeakPolarHBondContact CA-O 3.37Å; V121-L131 HydrophobicContact CB-CD2 3.84Å; V121-L131 HydrophobicContact CG2-CD2 3.82Å; V121-V154 HydrophobicContact CG1-CB 4.24Å; V121-V154 HydrophobicContact CG1-CG2 3.91Å; V121-V154 HydrophobicContact CG2-CB 4.46Å; V121-V154 HydrophobicContact CG2-CG2 4.39Å; V121-F156 HydrophobicContact CB-CE2 3.68Å; V121-F156 HydrophobicContact CB-CZ 3.78Å; V121-F156 HydrophobicContact CG1-CD2 3.72Å; V121-F156 HydrophobicContact CG1-CE2 3.26Å; V121-F156 HydrophobicContact CG1-CZ 3.83Å; V121-I165 HydrophobicContact CG2-CD1 4.17Å
122S95.7Very high92.2Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-137.3143171.553.50000112.8H104 S110 I129 K130 W132H104-S122 PolarHBondContact CD2-OG 2.95Å; H104-S122 PolarHBondContact NE2-OG 3.02Å; S110-S122 VanDerWaalsContact O-CA 3.23Å; S110-S122 WeakPolarHBondContact O-CA 3.21Å; S110-S122 WeakPolarHBondContact O-CB 3.43Å; S122-I129 WeakPolarHBondContact O-CA 3.16Å; S122-K130 PolarHBondContact N-O 2.6Å; S122-K130 PolarHBondContact O-N 3.17Å; S122-W132 PolarHBondContact OG-NE1 3.02Å
123G95.6Very high92.1Very high0 Ų032.9 Ų32.90%016%0.163CC..EExtended strand (participates in β ladder)trans-110.3138.8172.500000110.6L109 S110L109-G123 PolarHBondContact N-O 2.85Å; S110-G123 PolarHBondContact N-O 2.97Å; S110-G123 PolarHBondContact O-N 2.61Å
124S96Very high91.8Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-135.1162.4-174.6173.20000112.8H104 K106 D107 D126 K127 T128 V151H104-S124 VanDerWaalsContact CE1-CB 3.47Å; H104-S124 WeakPolarHBondContact CE1-CB 3.4Å; H104-S124 WeakPolarHBondContact ND1-CB 3.41Å; K106-S124 PolarHBondContact O-OG 3.3Å; D107-S124 VanDerWaalsContact O-CA 3.3Å; D107-S124 WeakPolarHBondContact O-CA 3.23Å; D107-S124 WeakPolarHBondContact O-CB 3.43Å; D107-S124 PolarHBondContact O-OG 2.83Å; S124-D126 VanDerWaalsContact CB-OD1 3.32Å; S124-D126 WeakPolarHBondContact CB-OD1 3.16Å; S124-D126 PolarHBondContact O-N 3.43Å; S124-D126 PolarHBondContact OG-N 3.39Å; S124-D126 VanDerWaalsContact OG-N 3.12Å; S124-D126 PolarHBondContact OG-OD1 3.48Å; S124-K127 PolarHBondContact O-N 2.81Å; S124-T128 PolarHBondContact N-O 2.93Å; S124-V151 PolarHBondContact O-N 3.29Å; S124-V151 VanDerWaalsContact O-N 3.17Å
125R95.3Very high91.8Very high47 Ų4738 Ų3818%0.17719%0.192CC..THydrogen-bonded Turntrans-65.4-10.9166.6-68.3-167178.1160.5-2.4113.8W83 K106 D107 L109 K127 W150W83-R125 VanDerWaalsContact CH2-NH2 3.32Å; W83-R125 VanDerWaalsContact CZ2-NH2 3.28Å; K106-R125 HydrophobicContact CB-CB 4.04Å; K106-R125 HydrophobicContact CD-CB 4.36Å; D107-R125 HydrophobicContact CB-CB 4.43Å; D107-R125 HydrophobicContact CB-CG 4.12Å; D107-R125 PolarHBondContact O-N 2.89Å; D107-R125 WeakPolarHBondContact OD2-CD 3.39Å; D107-R125 IonicContact OD2-CZ 3.61Å; D107-R125 IonicContact OD2-NE 3.58Å; D107-R125 IonicContact OD2-NH1 3.46Å; D107-R125 PolarHBondContact OD2-NH1 3.29Å; L109-R125 HydrophobicContact CD1-CG 3.66Å; L109-R125 HydrophobicContact CD2-CG 4.14Å; L109-R125 HydrophobicContact CG-CG 3.89Å; R125-K127 PolarHBondContact O-N 2.89Å; R125-W150 HydrophobicContact CB-CD2 4.43Å; R125-W150 HydrophobicContact CB-CG 4.06Å; R125-W150 HydrophobicContact CG-CB 4.25Å; R125-W150 HydrophobicContact CG-CD2 3.84Å; R125-W150 HydrophobicContact CG-CE3 4.32Å; R125-W150 HydrophobicContact CG-CG 3.79Å
126D93.6Very high91.9Very high24 Ų2435.1 Ų35.113%0.12817%0.17CC..THydrogen-bonded Turntrans-722.1169.372.811.5000113.3H104 T105 K106 S124 T128H104-D126 WeakPolarHBondContact CA-OD2 3.31Å; H104-D126 IonicContact CE1-OD1 3.71Å; H104-D126 IonicContact CE1-OD2 2.84Å; H104-D126 IonicContact CG-OD2 3.84Å; H104-D126 IonicContact ND1-OD1 2.84Å; H104-D126 PolarHBondContact ND1-OD1 3.15Å; H104-D126 IonicContact ND1-OD2 3.5Å; H104-D126 PolarHBondContact ND1-OD2 3.43Å; T105-D126 PolarHBondContact N-OD2 2.65Å; T105-D126 VanDerWaalsContact OG1-CB 3.31Å; T105-D126 WeakPolarHBondContact OG1-CB 3.08Å; K106-D126 HydrophobicContact CB-CB 4.18Å; K106-D126 HydrophobicContact CG-CB 4.39Å; S124-D126 VanDerWaalsContact CB-OD1 3.32Å; S124-D126 WeakPolarHBondContact CB-OD1 3.16Å; S124-D126 PolarHBondContact O-N 3.43Å; S124-D126 PolarHBondContact OG-N 3.39Å; S124-D126 VanDerWaalsContact OG-N 3.12Å; S124-D126 PolarHBondContact OG-OD1 3.48Å; D126-T128 VanDerWaalsContact CG-OG1 3.26Å; D126-T128 PolarHBondContact O-N 3.09Å; D126-T128 WeakPolarHBondContact OD1-CB 3.38Å; D126-T128 PolarHBondContact OD1-N 3.4Å; D126-T128 PolarHBondContact OD1-OG1 3.3Å; D126-T128 PolarHBondContact OD2-OG1 3.12Å
127K94.3Very high92.2Very high71 Ų7135.3 Ų35.331%0.30917%0.174SC..SBendtrans70.513.7176.6-43.6-179170.1-1570113S124 R125 S146 S148 E149S124-K127 PolarHBondContact O-N 2.81Å; R125-K127 PolarHBondContact O-N 2.89Å; K127-S146 WeakPolarHBondContact O-CB 3.4Å; K127-S146 PolarHBondContact O-OG 3.36Å; K127-S148 VanDerWaalsContact CD-O 3.3Å; K127-S148 WeakPolarHBondContact CD-O 3.49Å; K127-S148 WeakPolarHBondContact CE-O 3.41Å; K127-S148 PolarHBondContact NZ-O 3.45Å; K127-E149 WeakPolarHBondContact CB-O 3.36Å; K127-E149 WeakPolarHBondContact CE-OE2 3.49Å; K127-E149 VanDerWaalsContact NZ-CD 3.34Å; K127-E149 IonicContact NZ-OE1 2.78Å; K127-E149 PolarHBondContact NZ-OE1 3Å; K127-E149 IonicContact NZ-OE2 3.57Å; K127-E149 PolarHBondContact NZ-OE2 2.97Å
128T93.8Very high92.6Very high10 Ų1035.8 Ų35.86%0.06118%0.18CC..  trans-113.9154.3-179.876.10000111.8S124 D126 T141 Q143S124-T128 PolarHBondContact N-O 2.93Å; D126-T128 VanDerWaalsContact CG-OG1 3.26Å; D126-T128 PolarHBondContact O-N 3.09Å; D126-T128 WeakPolarHBondContact OD1-CB 3.38Å; D126-T128 PolarHBondContact OD1-N 3.4Å; D126-T128 PolarHBondContact OD1-OG1 3.3Å; D126-T128 PolarHBondContact OD2-OG1 3.12Å; T128-T141 HydrophobicContact CG2-CG2 4.38Å; T128-Q143 HydrophobicContact CG2-CG 3.44Å; T128-Q143 VanDerWaalsContact CG2-CG 3.44Å
129I95Very high92.8Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-109.5124.3167.4-59.5167.1000107.1V121 S122 I142 V151 V154 I165 S167 W177V121-I129 HydrophobicContact CG2-CG2 3.37Å; S122-I129 WeakPolarHBondContact O-CA 3.16Å; I129-I142 HydrophobicContact CB-CB 4.24Å; I129-I142 HydrophobicContact CB-CD1 4.44Å; I129-I142 HydrophobicContact CG2-CD1 4.35Å; I129-I142 PolarHBondContact N-O 2.9Å; I129-I142 PolarHBondContact O-N 3.05Å; I129-V151 HydrophobicContact CD1-CG1 4.36Å; I129-V151 HydrophobicContact CG1-CG1 4.03Å; I129-V151 HydrophobicContact CG1-CG2 4.12Å; I129-V154 HydrophobicContact CD1-CG1 4.37Å; I129-V154 HydrophobicContact CG1-CG1 4.23Å; I129-V154 HydrophobicContact CG2-CG1 4.42Å; I129-I165 HydrophobicContact CG2-CD1 4.11Å; I129-S167 VanDerWaalsContact CD1-CB 3.48Å; I129-S167 WeakPolarHBondContact CD1-OG 3.36Å; I129-W177 HydrophobicContact CD1-CZ2 4.13Å
130K94.7Very high92.8Very high22 Ų2235.7 Ų35.710%0.09618%0.181CC..EExtended strand (participates in β ladder)trans-109.9136.8178.6-71.8-178.6-176.3-80.60110.6G103 V121 S122 W132 T141G103-K130 VanDerWaalsContact O-CE 3.24Å; G103-K130 WeakPolarHBondContact O-CE 3.31Å; V121-K130 WeakPolarHBondContact CA-O 3.37Å; S122-K130 PolarHBondContact N-O 2.6Å; S122-K130 PolarHBondContact O-N 3.17Å; K130-W132 HydrophobicContact CB-CZ2 3.86Å; K130-W132 HydrophobicContact CD-CH2 4.2Å; K130-W132 HydrophobicContact CD-CZ2 3.64Å; K130-W132 HydrophobicContact CG-CZ2 4.39Å; K130-W132 PolarHBondContact O-NE1 3.41Å; K130-T141 HydrophobicContact CG-CG2 3.96Å; K130-T141 PolarHBondContact NZ-OG1 3.38Å
131L93.9Very high92.7Very high8 Ų837.6 Ų37.64%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-103.2132.1171.4-69.9170.7000109.3I120 V121 C138 K139 Y140 F156 L179 C182I120-L131 CarbonylContact O-C 3.59Å; I120-L131 WeakPolarHBondContact O-CA 3.39Å; V121-L131 HydrophobicContact CB-CD2 3.84Å; V121-L131 HydrophobicContact CG2-CD2 3.82Å; L131-C138 CarbonylContact O-C 3.52Å; L131-K139 PolarHBondContact O-N 3.24Å; L131-Y140 PolarHBondContact N-O 3.35Å; L131-Y140 PolarHBondContact O-N 2.93Å; L131-F156 HydrophobicContact CD2-CZ 4.44Å; L131-L179 HydrophobicContact CD1-CD1 3.66Å; L131-L179 HydrophobicContact CD2-CD1 3.63Å; L131-L179 HydrophobicContact CG-CD1 4.32Å; L131-C182 VanDerWaalsContact CD1-SG 3.57Å
132W94.3Very high92.4Very high3 Ų337.8 Ų37.81%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-124.7149-176.4-4679.3000110.5L87 F101 H104 I120 S122 K130 V137 C138L87-W132 HydrophobicContact CD1-CZ2 4.14Å; F101-W132 HydrophobicContact CB-CD2 4.28Å; F101-W132 HydrophobicContact CB-CE3 3.94Å; F101-W132 HydrophobicContact CB-CH2 4.28Å; F101-W132 HydrophobicContact CB-CZ3 3.94Å; F101-W132 HydrophobicContact CD1-CB 3.82Å; F101-W132 AromaticContact CD1-CD2 3.88Å; F101-W132 HydrophobicContact CD1-CD2 3.88Å; F101-W132 AromaticContact CD1-CE3 3.74Å; F101-W132 HydrophobicContact CD1-CE3 3.74Å; F101-W132 AromaticContact CD1-CG 3.94Å; F101-W132 HydrophobicContact CD1-CG 3.94Å; F101-W132 HydrophobicContact CE1-CB 3.97Å; F101-W132 HydrophobicContact CG-CE3 4.35Å; H104-W132 AromaticContact CD2-CZ2 3.9Å; I120-W132 HydrophobicContact CB-CB 4.12Å; I120-W132 HydrophobicContact CG2-CB 4.43Å; I120-W132 PolarHBondContact N-O 2.81Å; I120-W132 PolarHBondContact O-N 3.11Å; S122-W132 PolarHBondContact OG-NE1 3.02Å; K130-W132 HydrophobicContact CB-CZ2 3.86Å; K130-W132 HydrophobicContact CD-CH2 4.2Å; K130-W132 HydrophobicContact CD-CZ2 3.64Å; K130-W132 HydrophobicContact CG-CZ2 4.39Å; K130-W132 PolarHBondContact O-NE1 3.41Å; W132-V137 WeakPolarHBondContact CA-O 3.41Å; W132-C138 HydrophobicContact CD2-CB 4.27Å; W132-C138 HydrophobicContact CE3-CB 3.7Å; W132-C138 HydrophobicContact CH2-CB 4.16Å; W132-C138 HydrophobicContact CZ3-CB 3.65Å
133N91.3Very high91.8Very high39 Ų3943.5 Ų43.521%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-80.1157160.8-1622.1000109.7F101 R118 L135 G136 V137 K139F101-N133 VanDerWaalsContact CE1-O 3.3Å; F101-N133 WeakPolarHBondContact CE1-O 3.38Å; R118-N133 PolarHBondContact O-OD1 2.98Å; N133-L135 PolarHBondContact O-N 2.5Å; N133-G136 PolarHBondContact O-N 3.02Å; N133-V137 PolarHBondContact N-O 2.91Å; N133-K139 HydrophobicContact CB-CD 4.46Å; N133-K139 HydrophobicContact CB-CG 4.39Å
134T86.4Confident90.7Very high38 Ų3849.8 Ų49.823%0.23325%0.254CS..THydrogen-bonded Turntrans-55.2-24.5172.259.40000113.2R99 N117 G136R99-T134 WeakPolarHBondContact CD-O 3.49Å; R99-T134 PolarHBondContact NH1-O 3.21Å; N117-T134 WeakPolarHBondContact O-CG2 3.2Å; T134-G136 PolarHBondContact O-N 3.02Å
135L88.4Confident90Very high101 Ų10156.3 Ų56.353%0.52929%0.285SS..THydrogen-bonded Turntrans-69.8-6.1177.8-58.1-177.8000115R99 N133R99-L135 VanDerWaalsContact NH2-CD2 3.28Å; N133-L135 PolarHBondContact O-N 2.5Å
136G86.2Confident89.5Confident19 Ų1954.8 Ų54.820%0.19628%0.281CS..SBendtrans96.7-0.4-179.100000115F101 N133 T134F101-G136 VanDerWaalsContact CD1-CA 3.5Å; F101-G136 VanDerWaalsContact CE1-CA 3.45Å; N133-G136 PolarHBondContact O-N 3.02Å; T134-G136 PolarHBondContact O-N 3.02Å
137V90.8Very high89.3Confident90 Ų9054 Ų5455%0.54528%0.277SS..  trans-92.5128.5-176.3-177.60000110.3W132 N133 K139W132-V137 WeakPolarHBondContact CA-O 3.41Å; N133-V137 PolarHBondContact N-O 2.91Å; V137-K139 PolarHBondContact O-N 3.4Å
138C92.2Very high89.2Confident44 Ų4454.3 Ų54.330%0.29729%0.288SS..EExtended strand (participates in β ladder)trans-70.8111.8170.3-174.30000108.8L131 W132 T141L131-C138 CarbonylContact O-C 3.52Å; W132-C138 HydrophobicContact CD2-CB 4.27Å; W132-C138 HydrophobicContact CE3-CB 3.7Å; W132-C138 HydrophobicContact CH2-CB 4.16Å; W132-C138 HydrophobicContact CZ3-CB 3.65Å; C138-T141 PolarHBondContact SG-OG1 3.28Å
139K90.9Very high89.3Confident129 Ų12957.7 Ų57.756%0.56130%0.303SS*.EExtended strand (participates in β ladder)trans-81.7-40.7178.5-74.5-167.7174.3-175.80111.7L131 N133 V137L131-K139 PolarHBondContact O-N 3.24Å; N133-K139 HydrophobicContact CB-CD 4.46Å; N133-K139 HydrophobicContact CB-CG 4.39Å; V137-K139 PolarHBondContact O-N 3.4Å
140Y90.9Very high89.3Confident104 Ų10461.2 Ų61.241%0.40832%0.316SS..EExtended strand (participates in β ladder)trans-148.1144.8-175.3-157.2-97.5000110.2L131 I142 C182L131-Y140 PolarHBondContact N-O 3.35Å; L131-Y140 PolarHBondContact O-N 2.93Å; Y140-I142 HydrophobicContact CD1-CG1 3.73Å; Y140-I142 HydrophobicContact CE1-CG1 3.94Å; Y140-C182 HydrophobicContact CD1-CB 3.51Å; Y140-C182 HydrophobicContact CE1-CB 3.27Å; Y140-C182 HydrophobicContact CE2-CB 4.46Å; Y140-C182 HydrophobicContact CG-CB 4.21Å
141T92.4Very high89.3Confident40 Ų4060.1 Ų60.125%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-121.6113.8171.8-60.50000107.4T128 K130 C138 Q143T128-T141 HydrophobicContact CG2-CG2 4.38Å; K130-T141 HydrophobicContact CG-CG2 3.96Å; K130-T141 PolarHBondContact NZ-OG1 3.38Å; C138-T141 PolarHBondContact SG-OG1 3.28Å; T141-Q143 HydrophobicContact CG2-CG 3.84Å; T141-Q143 PolarHBondContact O-N 2.85Å
142I89.1Confident89.4Confident5 Ų560.3 Ų60.33%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-81.6102.1174.2-53.6175.4000106.6I129 Y140 I165 W177 C182I129-I142 HydrophobicContact CB-CB 4.24Å; I129-I142 HydrophobicContact CB-CD1 4.44Å; I129-I142 HydrophobicContact CG2-CD1 4.35Å; I129-I142 PolarHBondContact N-O 2.9Å; I129-I142 PolarHBondContact O-N 3.05Å; Y140-I142 HydrophobicContact CD1-CG1 3.73Å; Y140-I142 HydrophobicContact CE1-CG1 3.94Å; I142-I165 HydrophobicContact CD1-CD1 3.86Å; I142-W177 HydrophobicContact CD1-CD2 4.46Å; I142-W177 HydrophobicContact CD1-CE3 4.43Å; I142-W177 HydrophobicContact CG2-CD2 4.31Å; I142-W177 HydrophobicContact CG2-CE3 3.68Å; I142-W177 HydrophobicContact CG2-CH2 3.74Å; I142-W177 HydrophobicContact CG2-CZ2 4.34Å; I142-W177 HydrophobicContact CG2-CZ3 3.37Å; I142-C182 HydrophobicContact CD1-CB 4.45Å; I142-C182 HydrophobicContact CG1-CB 4.32Å
143Q83Confident89.5Confident119 Ų11960.4 Ų60.456%0.55632%0.315SS*.  trans-114-41.7174.4-90168.715.500110.5T128 T141 E145 S146T128-Q143 HydrophobicContact CG2-CG 3.44Å; T128-Q143 VanDerWaalsContact CG2-CG 3.44Å; T141-Q143 HydrophobicContact CG2-CG 3.84Å; T141-Q143 PolarHBondContact O-N 2.85Å; Q143-E145 PolarHBondContact O-N 3.42Å; Q143-S146 VanDerWaalsContact O-CB 3.23Å; Q143-S146 WeakPolarHBondContact O-CB 3.35Å; Q143-S146 PolarHBondContact O-N 3.32Å; Q143-S146 VanDerWaalsContact O-N 3.12Å
144D72.2Confident89.7Confident133 Ų13358.6 Ų58.671%0.71131%0.305SS*.THydrogen-bonded Turntrans-63.9124.8178.1-59.1-31.3000109.9S146D144-S146 PolarHBondContact O-N 3.26Å; D144-S146 VanDerWaalsContact O-N 3.12Å
145E80.4Confident90.1Very high136 Ų13659 Ų5964%0.63630%0.302SS*.THydrogen-bonded Turntrans58.916.1-174.8-54.7-176.5166.200115.6Q143 K175 W177 L184Q143-E145 PolarHBondContact O-N 3.42Å; E145-K175 PolarHBondContact O-NZ 2.86Å; E145-W177 VanDerWaalsContact O-CH2 3.29Å; E145-W177 WeakPolarHBondContact O-CH2 3.43Å; E145-L184 HydrophobicContact CB-CD2 4.4Å; E145-L184 WeakPolarHBondContact OE2-CB 3.36Å
146S85.5Confident90.4Very high15 Ų1555.4 Ų55.411%0.10528%0.283CS..  trans-61.4-178.1174.9-166.50000112.5K127 Q143 D144 K175K127-S146 WeakPolarHBondContact O-CB 3.4Å; K127-S146 PolarHBondContact O-OG 3.36Å; Q143-S146 VanDerWaalsContact O-CB 3.23Å; Q143-S146 WeakPolarHBondContact O-CB 3.35Å; Q143-S146 PolarHBondContact O-N 3.32Å; Q143-S146 VanDerWaalsContact O-N 3.12Å; D144-S146 PolarHBondContact O-N 3.26Å; D144-S146 VanDerWaalsContact O-N 3.12Å; S146-K175 PolarHBondContact O-NZ 3.02Å
147H90.6Very high90.6Very high7 Ų755.1 Ų55.13%0.03228%0.277CS..  trans-62.9141.8174.4-68.6-83.1000111E149 V151 S167 G169 D171 M173H147-E149 WeakPolarHBondContact CB-O 3.33Å; H147-E149 PolarHBondContact O-N 3.19Å; H147-V151 HydrophobicContact CB-CG2 4.11Å; H147-S167 PolarHBondContact NE2-OG 2.96Å; H147-G169 PolarHBondContact CE1-N 2.92Å; H147-D171 WeakPolarHBondContact CA-OD2 3.28Å; H147-D171 WeakPolarHBondContact CB-OD2 3.19Å; H147-D171 IonicContact CE1-OD1 3.29Å; H147-D171 IonicContact CG-OD1 3.66Å; H147-D171 IonicContact CG-OD2 2.8Å; H147-D171 IonicContact ND1-OD1 2.78Å; H147-D171 PolarHBondContact ND1-OD1 3.21Å; H147-D171 IonicContact ND1-OD2 2.82Å; H147-D171 PolarHBondContact ND1-OD2 2.84Å; H147-M173 PolarHBondContact CE1-O 3.05Å
148S92.2Very high90.4Very high78 Ų7853.6 Ų53.655%0.54527%0.269SS..SBendtrans-74.6-17.2174.361.20000112.1K127 D171K127-S148 VanDerWaalsContact CD-O 3.3Å; K127-S148 WeakPolarHBondContact CD-O 3.49Å; K127-S148 WeakPolarHBondContact CE-O 3.41Å; K127-S148 PolarHBondContact NZ-O 3.45Å; S148-D171 PolarHBondContact N-OD2 3.19Å; S148-D171 WeakPolarHBondContact OG-CB 3.43Å
149E94.6Very high89.9Confident82 Ų8253.3 Ų53.338%0.38327%0.265SS..SBendtrans-128.3-167.1176.6-67.7-55.1154.300112.1K127 H147 W170 D171K127-E149 WeakPolarHBondContact CB-O 3.36Å; K127-E149 WeakPolarHBondContact CE-OE2 3.49Å; K127-E149 VanDerWaalsContact NZ-CD 3.34Å; K127-E149 IonicContact NZ-OE1 2.78Å; K127-E149 PolarHBondContact NZ-OE1 3Å; K127-E149 IonicContact NZ-OE2 3.57Å; K127-E149 PolarHBondContact NZ-OE2 2.97Å; H147-E149 WeakPolarHBondContact CB-O 3.33Å; H147-E149 PolarHBondContact O-N 3.19Å; E149-W170 HydrophobicContact CB-CB 3.96Å; E149-D171 HydrophobicContact CB-CB 4.26Å
150W94.6Very high89.2Confident73 Ų7353 Ų5328%0.27728%0.279SS..  trans-57.7138.8-176.8-55.8-17.4000112.1L109 R125 S152 G169 W170L109-W150 HydrophobicContact CD1-CB 4.35Å; R125-W150 HydrophobicContact CB-CD2 4.43Å; R125-W150 HydrophobicContact CB-CG 4.06Å; R125-W150 HydrophobicContact CG-CB 4.25Å; R125-W150 HydrophobicContact CG-CD2 3.84Å; R125-W150 HydrophobicContact CG-CE3 4.32Å; R125-W150 HydrophobicContact CG-CG 3.79Å; W150-S152 PolarHBondContact O-N 2.84Å; W150-G169 CarbonylContact O-C 3.59Å; W150-G169 WeakPolarHBondContact O-CA 3.36Å; W150-W170 HydrophobicContact CB-CB 4.36Å; W150-W170 HydrophobicContact CB-CG 4.22Å; W150-W170 HydrophobicContact CD2-CD2 4.47Å; W150-W170 AromaticContact CE3-CD2 3.66Å; W150-W170 HydrophobicContact CE3-CD2 3.66Å; W150-W170 AromaticContact CE3-CE2 3.82Å; W150-W170 AromaticContact CE3-CE3 3.71Å; W150-W170 HydrophobicContact CE3-CE3 3.71Å; W150-W170 HydrophobicContact CE3-CG 4.27Å; W150-W170 HydrophobicContact CE3-CH2 4.1Å; W150-W170 HydrophobicContact CE3-CZ2 4.05Å; W150-W170 AromaticContact CE3-CZ3 3.93Å; W150-W170 HydrophobicContact CE3-CZ3 3.93Å; W150-W170 HydrophobicContact CH2-CZ3 4.38Å; W150-W170 HydrophobicContact CZ3-CD2 4.18Å; W150-W170 AromaticContact CZ3-CE3 3.84Å; W150-W170 HydrophobicContact CZ3-CE3 3.84Å; W150-W170 AromaticContact CZ3-CH2 3.65Å; W150-W170 HydrophobicContact CZ3-CH2 3.65Å; W150-W170 AromaticContact CZ3-CZ2 3.99Å; W150-W170 HydrophobicContact CZ3-CZ2 3.99Å; W150-W170 AromaticContact CZ3-CZ3 3.57Å; W150-W170 HydrophobicContact CZ3-CZ3 3.57Å; W150-W170 PolarHBondContact O-N 3.4Å
151V96.1Very high88.5Confident0 Ų051.8 Ų51.80%029%0.286CS..EExtended strand (participates in β ladder)trans-86.3109.6169.1-170.30000108L109 S124 I129 H147 V154L109-V151 WeakPolarHBondContact CD1-O 3.11Å; S124-V151 PolarHBondContact O-N 3.29Å; S124-V151 VanDerWaalsContact O-N 3.17Å; I129-V151 HydrophobicContact CD1-CG1 4.36Å; I129-V151 HydrophobicContact CG1-CG1 4.03Å; I129-V151 HydrophobicContact CG1-CG2 4.12Å; H147-V151 HydrophobicContact CB-CG2 4.11Å; V151-V154 HydrophobicContact CG1-CG1 3.67Å
152S95.2Very high87.8Confident12 Ų1253.7 Ų53.78%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-82.8-45.2-173.546.40000112.6S110 W150 C168 L195S110-S152 WeakPolarHBondContact CB-O 3.3Å; W150-S152 PolarHBondContact O-N 2.84Å; S152-C168 PolarHBondContact N-O 3.48Å; S152-C168 PolarHBondContact OG-O 2.74Å; S152-C168 VanDerWaalsContact OG-O 3.11Å; S152-C168 PolarHBondContact OG-SG 3.47Å; S152-L195 WeakPolarHBondContact CB-O 3.44Å; S152-L195 PolarHBondContact OG-O 2.92Å
153C96Very high87.6Confident5 Ų556.1 Ų56.13%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-140.2142.6179.8-169.60000111.6R155 S167 C168 V198C153-R155 VanDerWaalsContact SG-CZ 3.58Å; C153-S167 WeakPolarHBondContact O-CA 3.44Å; C153-C168 VanDerWaalsContact CB-SG 3.52Å; C153-C168 PolarHBondContact N-O 2.89Å; C153-C168 PolarHBondContact O-N 2.78Å; C153-V198 HydrophobicContact CB-CG1 3.98Å
154V95.8Very high88Confident1 Ų151 Ų511%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-130.7134.5173.4-65.60000109.3S110 V121 I129 V151 V166S110-V154 PolarHBondContact OG-N 3.49Å; S110-V154 VanDerWaalsContact OG-N 3.07Å; S110-V154 PolarHBondContact OG-O 2.86Å; V121-V154 HydrophobicContact CG1-CB 4.24Å; V121-V154 HydrophobicContact CG1-CG2 3.91Å; V121-V154 HydrophobicContact CG2-CB 4.46Å; V121-V154 HydrophobicContact CG2-CG2 4.39Å; I129-V154 HydrophobicContact CD1-CG1 4.37Å; I129-V154 HydrophobicContact CG1-CG1 4.23Å; I129-V154 HydrophobicContact CG2-CG1 4.42Å; V151-V154 HydrophobicContact CG1-CG1 3.67Å; V154-V166 WeakPolarHBondContact CA-O 3.39Å
155R95.5Very high89Confident45 Ų4544.8 Ų44.817%0.1725%0.254CS..EExtended strand (participates in β ladder)trans-139.1143.8177.9-64.2-64.9176.6-117.713.4110.5D68 S110 V111 C153 I165 V166 V198 V200D68-R155 IonicContact OD1-NH2 3.42Å; D68-R155 PolarHBondContact OD1-NH2 3.28Å; D68-R155 IonicContact OD2-CZ 3.44Å; D68-R155 IonicContact OD2-NH1 2.72Å; D68-R155 PolarHBondContact OD2-NH1 2.48Å; D68-R155 IonicContact OD2-NH2 3.19Å; D68-R155 PolarHBondContact OD2-NH2 2.89Å; S110-R155 PolarHBondContact OG-NH1 2.76Å; V111-R155 PolarHBondContact O-NH1 3.23Å; V111-R155 VanDerWaalsContact O-NH1 3.09Å; C153-R155 VanDerWaalsContact SG-CZ 3.58Å; R155-I165 WeakPolarHBondContact O-CA 3.36Å; R155-V166 PolarHBondContact N-O 3.31Å; R155-V166 PolarHBondContact O-N 2.88Å; R155-V198 HydrophobicContact CG-CG1 4.26Å; R155-V198 WeakPolarHBondContact CG-O 3.37Å; R155-V200 HydrophobicContact CB-CG2 4.23Å
156F93.4Very high89.7Confident27 Ų2738.3 Ų38.312%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-79.5142.7169-79.7-82.9000109.8A112 F113 Q119 V121 L131 I165 L179A112-F156 HydrophobicContact CB-CD2 3.94Å; A112-F156 HydrophobicContact CB-CE2 4.46Å; A112-F156 WeakPolarHBondContact O-CE2 3.4Å; F113-F156 WeakPolarHBondContact O-CD2 3.4Å; Q119-F156 HydrophobicContact CB-CZ 4.34Å; V121-F156 HydrophobicContact CB-CE2 3.68Å; V121-F156 HydrophobicContact CB-CZ 3.78Å; V121-F156 HydrophobicContact CG1-CD2 3.72Å; V121-F156 HydrophobicContact CG1-CE2 3.26Å; V121-F156 HydrophobicContact CG1-CZ 3.83Å; L131-F156 HydrophobicContact CD2-CZ 4.44Å; F156-I165 HydrophobicContact CD1-CG2 3.4Å; F156-I165 VanDerWaalsContact CD1-CG2 3.4Å; F156-I165 HydrophobicContact CE1-CG2 3.34Å; F156-I165 HydrophobicContact CG-CG2 4.09Å; F156-I165 HydrophobicContact CZ-CG2 4Å; F156-L179 HydrophobicContact CE1-CD1 3.98Å; F156-L179 HydrophobicContact CE1-CD2 3.82Å
157S91.2Very high90.1Very high12 Ų1237.7 Ų37.78%0.08422%0.219CC..  trans-74.5134.1161.4178.90000109.1N159 I164S157-N159 PolarHBondContact O-N 3.06Å; S157-N159 PolarHBondContact OG-N 3.24Å; S157-I164 PolarHBondContact N-O 2.88Å
158P86.8Confident90.4Very high58 Ų5837.3 Ų37.338%0.37722%0.217SC..  trans-72.4-7.4176.930.7-35000112.8S160 S201 P202P158-S160 PolarHBondContact O-N 3.02Å; P158-S201 WeakPolarHBondContact CG-O 3.48Å; P158-P202 WeakPolarHBondContact CG-O 3.23Å
159N82.4Confident90.5Very high39 Ų3933.6 Ų33.621%0.20919%0.191CC..  trans-65.9118.8-178.5-170-12.6000111.4S157 S161S157-N159 PolarHBondContact O-N 3.06Å; S157-N159 PolarHBondContact OG-N 3.24Å; N159-S161 PolarHBondContact ND2-OG 2.82Å; N159-S161 PolarHBondContact OD1-N 2.77Å; N159-S161 PolarHBondContact OD1-OG 3.36Å
160S74.6Confident90.5Very high121 Ų12133.8 Ų33.885%0.84619%0.188SC*.SBendtrans-75.3-24.7-17959.90000113.7P158P158-S160 PolarHBondContact O-N 3.02Å
161S77.7Confident90.5Very high79 Ų7931.5 Ų31.555%0.55218%0.181SC*.SBendtrans-72.2-35.5-177.364.80000112.6N159N159-S161 PolarHBondContact ND2-OG 2.82Å; N159-S161 PolarHBondContact OD1-N 2.77Å; N159-S161 PolarHBondContact OD1-OG 3.36Å
162N76.4Confident90.4Very high81 Ų8136.1 Ų36.143%0.43320%0.202SC..SBendtrans-135.292.5-177.8-77-46.8000109.2I164N162-I164 HydrophobicContact CB-CD1 3.98Å; N162-I164 HydrophobicContact CB-CG1 4.38Å; N162-I164 WeakPolarHBondContact O-CG1 3.42Å; N162-I164 PolarHBondContact O-N 2.81Å
163P84.8Confident90.3Very high56 Ų5638 Ų3836%0.36421%0.21SC..  trans-68.1107.6-179.428.5-34.1000109.4L179P163-L179 HydrophobicContact CB-CB 4.03Å; P163-L179 HydrophobicContact CB-CD2 3.95Å; P163-L179 HydrophobicContact CG-CB 4.4Å; P163-L179 WeakPolarHBondContact O-CB 3.42Å; P163-L179 PolarHBondContact O-N 2.81Å
164I91.4Very high90.3Very high11 Ų1137.8 Ų37.86%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-124.9144.2-174.3-71.6167.1000108.7S157 N162 V166 V176 W177 K185S157-I164 PolarHBondContact N-O 2.88Å; N162-I164 HydrophobicContact CB-CD1 3.98Å; N162-I164 HydrophobicContact CB-CG1 4.38Å; N162-I164 WeakPolarHBondContact O-CG1 3.42Å; N162-I164 PolarHBondContact O-N 2.81Å; I164-V166 HydrophobicContact CG2-CG2 4.36Å; I164-V176 HydrophobicContact CG2-CG1 3.22Å; I164-W177 VanDerWaalsContact CA-O 3.31Å; I164-W177 WeakPolarHBondContact CA-O 3.48Å; I164-W177 WeakPolarHBondContact CG2-O 3.47Å; I164-K185 HydrophobicContact CD1-CD 3.98Å
165I93.1Very high90.2Very high3 Ų338.7 Ų38.72%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-110.2141.5165.557.6169.8000109V121 I129 I142 R155 F156 W177 L179V121-I165 HydrophobicContact CG2-CD1 4.17Å; I129-I165 HydrophobicContact CG2-CD1 4.11Å; I142-I165 HydrophobicContact CD1-CD1 3.86Å; R155-I165 WeakPolarHBondContact O-CA 3.36Å; F156-I165 HydrophobicContact CD1-CG2 3.4Å; F156-I165 VanDerWaalsContact CD1-CG2 3.4Å; F156-I165 HydrophobicContact CE1-CG2 3.34Å; F156-I165 HydrophobicContact CG-CG2 4.09Å; F156-I165 HydrophobicContact CZ-CG2 4Å; I165-W177 HydrophobicContact CD1-CB 3.92Å; I165-W177 HydrophobicContact CD1-CG 4.02Å; I165-W177 HydrophobicContact CG1-CB 3.51Å; I165-W177 HydrophobicContact CG1-CG 3.88Å; I165-W177 PolarHBondContact N-O 3.1Å; I165-W177 PolarHBondContact O-N 2.97Å; I165-L179 HydrophobicContact CG2-CD1 4.19Å
166V95.1Very high90.2Very high0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-113.7130.4173.3-172.20000107.7V154 R155 I164 V174 V176 V198 V200 L221V154-V166 WeakPolarHBondContact CA-O 3.39Å; R155-V166 PolarHBondContact N-O 3.31Å; R155-V166 PolarHBondContact O-N 2.88Å; I164-V166 HydrophobicContact CG2-CG2 4.36Å; V166-V174 HydrophobicContact CG1-CG1 3.55Å; V166-V176 HydrophobicContact CG1-CG2 4.43Å; V166-V176 HydrophobicContact CG2-CG2 4.41Å; V166-V198 HydrophobicContact CG1-CG2 3.8Å; V166-V200 HydrophobicContact CB-CG2 4.35Å; V166-V200 HydrophobicContact CG2-CG2 4.05Å; V166-L221 HydrophobicContact CG2-CD1 4.18Å; V166-L221 HydrophobicContact CG2-CD2 3.84Å
167S95.6Very high90.1Very high1 Ų135.4 Ų35.41%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-123.7145.6175.664.80000110.7I129 H147 C153 V174 K175 W177I129-S167 VanDerWaalsContact CD1-CB 3.48Å; I129-S167 WeakPolarHBondContact CD1-OG 3.36Å; H147-S167 PolarHBondContact NE2-OG 2.96Å; C153-S167 WeakPolarHBondContact O-CA 3.44Å; S167-V174 CarbonylContact O-C 3.55Å; S167-V174 WeakPolarHBondContact O-CA 3.2Å; S167-V174 WeakPolarHBondContact O-CG1 3.45Å; S167-K175 PolarHBondContact N-O 3.03Å; S167-K175 PolarHBondContact O-N 2.93Å; S167-K175 PolarHBondContact OG-O 2.77Å; S167-W177 PolarHBondContact OG-NE1 2.96Å
168C95.5Very high90.1Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-118.1148166.366.60000110.4S152 C153 V174 L195 T197 V198S152-C168 PolarHBondContact N-O 3.48Å; S152-C168 PolarHBondContact OG-O 2.74Å; S152-C168 VanDerWaalsContact OG-O 3.11Å; S152-C168 PolarHBondContact OG-SG 3.47Å; C153-C168 VanDerWaalsContact CB-SG 3.52Å; C153-C168 PolarHBondContact N-O 2.89Å; C153-C168 PolarHBondContact O-N 2.78Å; C168-V174 HydrophobicContact CB-CG2 4.14Å; C168-L195 HydrophobicContact CB-CB 3.89Å; C168-L195 HydrophobicContact CB-CD1 3.87Å; C168-T197 VanDerWaalsContact SG-C 3.55Å; C168-V198 HydrophobicContact CB-CB 4.03Å; C168-V198 HydrophobicContact CB-CG1 4.32Å
169G94.7Very high90Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans-131165.4-178.100000113.6H147 W150 D171 K172 M173 L195H147-G169 PolarHBondContact CE1-N 2.92Å; W150-G169 CarbonylContact O-C 3.59Å; W150-G169 WeakPolarHBondContact O-CA 3.36Å; G169-D171 WeakPolarHBondContact CA-OD1 3.33Å; G169-D171 PolarHBondContact O-N 2.88Å; G169-K172 PolarHBondContact O-N 3.01Å; G169-M173 PolarHBondContact N-O 2.9Å; G169-M173 VanDerWaalsContact N-O 3.14Å; G169-L195 WeakPolarHBondContact O-CB 3.43Å; G169-L195 PolarHBondContact O-N 3.07Å
170W94.9Very high90.1Very high85 Ų8537.5 Ų37.532%0.32222%0.218SC..THydrogen-bonded Turntrans-72.6-6.7172.9-80.339.8000113E149 W150 K172 Y194 L195E149-W170 HydrophobicContact CB-CB 3.96Å; W150-W170 HydrophobicContact CB-CB 4.36Å; W150-W170 HydrophobicContact CB-CG 4.22Å; W150-W170 HydrophobicContact CD2-CD2 4.47Å; W150-W170 AromaticContact CE3-CD2 3.66Å; W150-W170 HydrophobicContact CE3-CD2 3.66Å; W150-W170 AromaticContact CE3-CE2 3.82Å; W150-W170 AromaticContact CE3-CE3 3.71Å; W150-W170 HydrophobicContact CE3-CE3 3.71Å; W150-W170 HydrophobicContact CE3-CG 4.27Å; W150-W170 HydrophobicContact CE3-CH2 4.1Å; W150-W170 HydrophobicContact CE3-CZ2 4.05Å; W150-W170 AromaticContact CE3-CZ3 3.93Å; W150-W170 HydrophobicContact CE3-CZ3 3.93Å; W150-W170 HydrophobicContact CH2-CZ3 4.38Å; W150-W170 HydrophobicContact CZ3-CD2 4.18Å; W150-W170 AromaticContact CZ3-CE3 3.84Å; W150-W170 HydrophobicContact CZ3-CE3 3.84Å; W150-W170 AromaticContact CZ3-CH2 3.65Å; W150-W170 HydrophobicContact CZ3-CH2 3.65Å; W150-W170 AromaticContact CZ3-CZ2 3.99Å; W150-W170 HydrophobicContact CZ3-CZ2 3.99Å; W150-W170 AromaticContact CZ3-CZ3 3.57Å; W150-W170 HydrophobicContact CZ3-CZ3 3.57Å; W150-W170 PolarHBondContact O-N 3.4Å; W170-K172 PolarHBondContact O-N 3.28Å; W170-Y194 HydrophobicContact CD2-CD2 4.19Å; W170-Y194 HydrophobicContact CD2-CG 4.19Å; W170-Y194 AromaticContact CE2-CD2 3.93Å; W170-Y194 HydrophobicContact CE3-CG 4.27Å; W170-Y194 HydrophobicContact CH2-CD2 4.4Å; W170-Y194 HydrophobicContact CH2-CE2 4.27Å; W170-Y194 HydrophobicContact CZ2-CD2 4.05Å; W170-Y194 HydrophobicContact CZ2-CE2 4.09Å; W170-L195 VanDerWaalsContact CD1-O 3.26Å; W170-L195 PolarHBondContact NE1-O 2.79Å
171D93.6Very high90.6Very high25 Ų2535.6 Ų35.613%0.13420%0.198CC..THydrogen-bonded Turntrans-76.77.8169.565.7-10.3000113.4H147 S148 E149 G169 M173H147-D171 WeakPolarHBondContact CA-OD2 3.28Å; H147-D171 WeakPolarHBondContact CB-OD2 3.19Å; H147-D171 IonicContact CE1-OD1 3.29Å; H147-D171 IonicContact CG-OD1 3.66Å; H147-D171 IonicContact CG-OD2 2.8Å; H147-D171 IonicContact ND1-OD1 2.78Å; H147-D171 PolarHBondContact ND1-OD1 3.21Å; H147-D171 IonicContact ND1-OD2 2.82Å; H147-D171 PolarHBondContact ND1-OD2 2.84Å; S148-D171 PolarHBondContact N-OD2 3.19Å; S148-D171 WeakPolarHBondContact OG-CB 3.43Å; E149-D171 HydrophobicContact CB-CB 4.26Å; G169-D171 WeakPolarHBondContact CA-OD1 3.33Å; G169-D171 PolarHBondContact O-N 2.88Å; D171-M173 PolarHBondContact O-N 2.8Å; D171-M173 PolarHBondContact OD1-N 2.9Å
172K94.4Very high90.9Very high97 Ų9732.7 Ų32.742%0.42218%0.178SC..SBendtrans69.712.6177.3-37.5179178.9-170.60113.8G169 W170 H191 T192 G193G169-K172 PolarHBondContact O-N 3.01Å; W170-K172 PolarHBondContact O-N 3.28Å; K172-H191 HydrophobicContact CB-CB 4.46Å; K172-T192 WeakPolarHBondContact CD-O 3.44Å; K172-T192 VanDerWaalsContact CE-O 3.3Å; K172-T192 WeakPolarHBondContact CE-O 3.24Å; K172-T192 PolarHBondContact NZ-O 2.86Å; K172-G193 WeakPolarHBondContact CB-O 3.47Å; K172-G193 VanDerWaalsContact CG-O 3.31Å; K172-G193 WeakPolarHBondContact CG-O 3.37Å
173M93.5Very high91.4Very high52 Ų5235.7 Ų35.726%0.25619%0.187SC..  trans-107.5143.8-178.3-61.5-63.5-160.900110.7H147 G169 D171 K175 I189H147-M173 PolarHBondContact CE1-O 3.05Å; G169-M173 PolarHBondContact N-O 2.9Å; G169-M173 VanDerWaalsContact N-O 3.14Å; D171-M173 PolarHBondContact O-N 2.8Å; D171-M173 PolarHBondContact OD1-N 2.9Å; M173-K175 HydrophobicContact CB-CG 4.38Å; M173-I189 HydrophobicContact CE-CB 4.44Å; M173-I189 HydrophobicContact CE-CD1 4.18Å; M173-I189 HydrophobicContact CE-CG1 3.86Å; M173-I189 HydrophobicContact CE-CG2 3.99Å; M173-I189 HydrophobicContact SD-CB 4.1Å; M173-I189 HydrophobicContact SD-CG1 3.72Å; M173-I189 HydrophobicContact SD-CG2 4.01Å
174V95.6Very high91.7Very high0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-104.2125.6160.5-179.40000107.4V166 S167 C168 H188 L195 V198V166-V174 HydrophobicContact CG1-CG1 3.55Å; S167-V174 CarbonylContact O-C 3.55Å; S167-V174 WeakPolarHBondContact O-CA 3.2Å; S167-V174 WeakPolarHBondContact O-CG1 3.45Å; C168-V174 HydrophobicContact CB-CG2 4.14Å; V174-H188 HydrophobicContact CB-CB 4.07Å; V174-H188 PolarHBondContact N-O 3.18Å; V174-H188 WeakPolarHBondContact O-CB 3.36Å; V174-H188 PolarHBondContact O-N 2.9Å; V174-L195 HydrophobicContact CG2-CD1 3.49Å; V174-L195 VanDerWaalsContact CG2-CD1 3.49Å; V174-V198 HydrophobicContact CG1-CG2 4.42Å
175K94.7Very high91.6Very high20 Ų2039 Ų399%0.08720%0.197CC..EExtended strand (participates in β ladder)trans-115.3134.8-177.9-63.7-168170-173.10109.8E145 S146 S167 M173 W177 L184 N187E145-K175 PolarHBondContact O-NZ 2.86Å; S146-K175 PolarHBondContact O-NZ 3.02Å; S167-K175 PolarHBondContact N-O 3.03Å; S167-K175 PolarHBondContact O-N 2.93Å; S167-K175 PolarHBondContact OG-O 2.77Å; M173-K175 HydrophobicContact CB-CG 4.38Å; K175-W177 HydrophobicContact CB-CZ2 3.76Å; K175-W177 HydrophobicContact CD-CH2 4.1Å; K175-W177 HydrophobicContact CD-CZ2 3.6Å; K175-W177 HydrophobicContact CG-CZ2 4.32Å; K175-L184 HydrophobicContact CB-CD1 3.87Å; K175-L184 HydrophobicContact CD-CD1 4.14Å; K175-L184 HydrophobicContact CG-CD1 4.22Å; K175-N187 WeakPolarHBondContact CE-OD1 3.49Å; K175-N187 WeakPolarHBondContact CG-OD1 3.33Å
176V94.1Very high91.4Very high3 Ų340.6 Ų40.62%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-110.7125.8178.5-176.60000107.9I164 V166 K185 T186 H188 L221I164-V176 HydrophobicContact CG2-CG1 3.22Å; V166-V176 HydrophobicContact CG1-CG2 4.43Å; V166-V176 HydrophobicContact CG2-CG2 4.41Å; V176-K185 HydrophobicContact CG1-CB 4.36Å; V176-K185 HydrophobicContact CG1-CD 4.36Å; V176-K185 WeakPolarHBondContact O-CA 3.44Å; V176-K185 WeakPolarHBondContact O-CB 3.4Å; V176-K185 PolarHBondContact O-N 3.16Å; V176-T186 PolarHBondContact N-O 2.89Å; V176-T186 PolarHBondContact O-N 3.25Å; V176-H188 WeakPolarHBondContact CG2-NE2 3.39Å; V176-L221 HydrophobicContact CG2-CD2 3.94Å
177W92.3Very high91.2Very high1 Ų144.1 Ų44.10%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-121.1139.5-176-39.775000110.8I129 I142 E145 I164 I165 S167 K175 K183 L184I129-W177 HydrophobicContact CD1-CZ2 4.13Å; I142-W177 HydrophobicContact CD1-CD2 4.46Å; I142-W177 HydrophobicContact CD1-CE3 4.43Å; I142-W177 HydrophobicContact CG2-CD2 4.31Å; I142-W177 HydrophobicContact CG2-CE3 3.68Å; I142-W177 HydrophobicContact CG2-CH2 3.74Å; I142-W177 HydrophobicContact CG2-CZ2 4.34Å; I142-W177 HydrophobicContact CG2-CZ3 3.37Å; E145-W177 VanDerWaalsContact O-CH2 3.29Å; E145-W177 WeakPolarHBondContact O-CH2 3.43Å; I164-W177 VanDerWaalsContact CA-O 3.31Å; I164-W177 WeakPolarHBondContact CA-O 3.48Å; I164-W177 WeakPolarHBondContact CG2-O 3.47Å; I165-W177 HydrophobicContact CD1-CB 3.92Å; I165-W177 HydrophobicContact CD1-CG 4.02Å; I165-W177 HydrophobicContact CG1-CB 3.51Å; I165-W177 HydrophobicContact CG1-CG 3.88Å; I165-W177 PolarHBondContact N-O 3.1Å; I165-W177 PolarHBondContact O-N 2.97Å; S167-W177 PolarHBondContact OG-NE1 2.96Å; K175-W177 HydrophobicContact CB-CZ2 3.76Å; K175-W177 HydrophobicContact CD-CH2 4.1Å; K175-W177 HydrophobicContact CD-CZ2 3.6Å; K175-W177 HydrophobicContact CG-CZ2 4.32Å; W177-K183 WeakPolarHBondContact CA-O 3.18Å; W177-L184 HydrophobicContact CD2-CD1 4.17Å; W177-L184 HydrophobicContact CE3-CB 4.01Å; W177-L184 HydrophobicContact CE3-CD1 4.07Å; W177-L184 HydrophobicContact CH2-CD1 4.07Å; W177-L184 HydrophobicContact CZ2-CD1 4.2Å; W177-L184 HydrophobicContact CZ3-CB 3.86Å; W177-L184 HydrophobicContact CZ3-CD1 4.01Å
178N90.4Very high91.1Very high46 Ų4644.4 Ų44.425%0.24623%0.227CC..EExtended strand (participates in β ladder)trans-82.5124.4171.1-177.7-15.2000109.3A180 N181 C182 K183N178-A180 VanDerWaalsContact C-N 3.32Å; N178-A180 PolarHBondContact O-N 3.05Å; N178-A180 WeakPolarHBondContact OD1-CB 3.49Å; N178-A180 PolarHBondContact OD1-N 2.84Å; N178-N181 WeakPolarHBondContact CB-OD1 3.43Å; N178-N181 PolarHBondContact O-OD1 2.86Å; N178-C182 WeakPolarHBondContact O-CA 3.46Å; N178-C182 PolarHBondContact O-N 2.96Å; N178-K183 PolarHBondContact N-O 2.88Å
179L85Confident90.9Very high20 Ų2050.2 Ų50.211%0.10526%0.257CS..THydrogen-bonded Turntrans-69.5-29.3-177-16967.6000112.7L131 F156 P163 I165L131-L179 HydrophobicContact CD1-CD1 3.66Å; L131-L179 HydrophobicContact CD2-CD1 3.63Å; L131-L179 HydrophobicContact CG-CD1 4.32Å; F156-L179 HydrophobicContact CE1-CD1 3.98Å; F156-L179 HydrophobicContact CE1-CD2 3.82Å; P163-L179 HydrophobicContact CB-CB 4.03Å; P163-L179 HydrophobicContact CB-CD2 3.95Å; P163-L179 HydrophobicContact CG-CB 4.4Å; P163-L179 WeakPolarHBondContact O-CB 3.42Å; P163-L179 PolarHBondContact O-N 2.81Å; I165-L179 HydrophobicContact CG2-CD1 4.19Å
180A85.6Confident90.6Very high87 Ų8752 Ų5272%0.71928%0.276SS*.THydrogen-bonded Turntrans-69.2-38.7-173.900000112.8N178N178-A180 VanDerWaalsContact C-N 3.32Å; N178-A180 PolarHBondContact O-N 3.05Å; N178-A180 WeakPolarHBondContact OD1-CB 3.49Å; N178-A180 PolarHBondContact OD1-N 2.84Å
181N84.9Confident90.6Very high80 Ų8048.5 Ų48.543%0.42826%0.263SS..THydrogen-bonded Turntrans-114.6-2-179.564.58.7000113.2N178 K183N178-N181 WeakPolarHBondContact CB-OD1 3.43Å; N178-N181 PolarHBondContact O-OD1 2.86Å; N181-K183 HydrophobicContact CB-CG 4.34Å; N181-K183 PolarHBondContact O-N 2.87Å; N181-K183 VanDerWaalsContact O-N 3.14Å; N181-K183 WeakPolarHBondContact OD1-CB 3.34Å; N181-K183 PolarHBondContact OD1-N 2.79Å
182C83.4Confident90.5Very high18 Ų1851.9 Ų51.912%0.12229%0.285CS..THydrogen-bonded Turntrans5329.3-175.9-61.90000113.6L131 Y140 I142 N178L131-C182 VanDerWaalsContact CD1-SG 3.57Å; Y140-C182 HydrophobicContact CD1-CB 3.51Å; Y140-C182 HydrophobicContact CE1-CB 3.27Å; Y140-C182 HydrophobicContact CE2-CB 4.46Å; Y140-C182 HydrophobicContact CG-CB 4.21Å; I142-C182 HydrophobicContact CD1-CB 4.45Å; I142-C182 HydrophobicContact CG1-CB 4.32Å; N178-C182 WeakPolarHBondContact O-CA 3.46Å; N178-C182 PolarHBondContact O-N 2.96Å
183K87.6Confident90.5Very high144 Ų14447.9 Ų47.963%0.62627%0.27SS*.EExtended strand (participates in β ladder)trans-97.2150176.5-67.3-170.6173.6-173.20111W177 N178 N181 K185W177-K183 WeakPolarHBondContact CA-O 3.18Å; N178-K183 PolarHBondContact N-O 2.88Å; N181-K183 HydrophobicContact CB-CG 4.34Å; N181-K183 PolarHBondContact O-N 2.87Å; N181-K183 VanDerWaalsContact O-N 3.14Å; N181-K183 WeakPolarHBondContact OD1-CB 3.34Å; N181-K183 PolarHBondContact OD1-N 2.79Å; K183-K185 PolarHBondContact O-N 2.99Å
184L89.5Confident90.5Very high39 Ų3948.8 Ų48.820%0.20427%0.272CS..EExtended strand (participates in β ladder)trans-62.1125.6169.9-175.968.5000109.5E145 K175 W177 N187E145-L184 HydrophobicContact CB-CD2 4.4Å; E145-L184 WeakPolarHBondContact OE2-CB 3.36Å; K175-L184 HydrophobicContact CB-CD1 3.87Å; K175-L184 HydrophobicContact CD-CD1 4.14Å; K175-L184 HydrophobicContact CG-CD1 4.22Å; W177-L184 HydrophobicContact CD2-CD1 4.17Å; W177-L184 HydrophobicContact CE3-CB 4.01Å; W177-L184 HydrophobicContact CE3-CD1 4.07Å; W177-L184 HydrophobicContact CH2-CD1 4.07Å; W177-L184 HydrophobicContact CZ2-CD1 4.2Å; W177-L184 HydrophobicContact CZ3-CB 3.86Å; W177-L184 HydrophobicContact CZ3-CD1 4.01Å; L184-N187 WeakPolarHBondContact CD2-ND2 3.47Å; L184-N187 WeakPolarHBondContact CD2-OD1 3.42Å
185K89.4Confident90.5Very high97 Ų9748.8 Ų48.842%0.42227%0.272SS..EExtended strand (participates in β ladder)trans-94.2-47.8176.9-172-174.7178.4-167.70110.6I164 V176 K183I164-K185 HydrophobicContact CD1-CD 3.98Å; V176-K185 HydrophobicContact CG1-CB 4.36Å; V176-K185 HydrophobicContact CG1-CD 4.36Å; V176-K185 WeakPolarHBondContact O-CA 3.44Å; V176-K185 WeakPolarHBondContact O-CB 3.4Å; V176-K185 PolarHBondContact O-N 3.16Å; K183-K185 PolarHBondContact O-N 2.99Å
186T89.8Confident90.5Very high38 Ų3849.5 Ų49.523%0.23328%0.276CS..EExtended strand (participates in β ladder)trans-151139-174.7-47.40000110.6V176V176-T186 PolarHBondContact N-O 2.89Å; V176-T186 PolarHBondContact O-N 3.25Å
187N91.8Very high90.6Very high73 Ų7350 Ų5039%0.3928%0.279SS..EExtended strand (participates in β ladder)trans-103.1119.8166.5-77.5-33.6000108.6K175 L184K175-N187 WeakPolarHBondContact CE-OD1 3.49Å; K175-N187 WeakPolarHBondContact CG-OD1 3.33Å; L184-N187 WeakPolarHBondContact CD2-ND2 3.47Å; L184-N187 WeakPolarHBondContact CD2-OD1 3.42Å
188H92.1Very high90.8Very high7 Ų750 Ų503%0.03228%0.279CS..EExtended strand (participates in β ladder)trans-94.8114.9171.4-63.9-53.9000109.1V174 V176 W219 G224V174-H188 HydrophobicContact CB-CB 4.07Å; V174-H188 PolarHBondContact N-O 3.18Å; V174-H188 WeakPolarHBondContact O-CB 3.36Å; V174-H188 PolarHBondContact O-N 2.9Å; V176-H188 WeakPolarHBondContact CG2-NE2 3.39Å; H188-W219 HydrophobicContact CB-CD2 3.92Å; H188-W219 HydrophobicContact CB-CE3 3.67Å; H188-W219 HydrophobicContact CB-CH2 4.01Å; H188-W219 HydrophobicContact CB-CZ2 4.24Å; H188-W219 HydrophobicContact CB-CZ3 3.72Å; H188-W219 AromaticContact CG-CD2 3.95Å; H188-W219 AromaticContact CG-CE3 3.72Å; H188-W219 AromaticContact ND1-CE3 3.71Å; H188-G224 PolarHBondContact CE1-O 2.92Å
189I91.6Very high91.1Very high122 Ų12248.8 Ų48.863%0.62627%0.274SS*.  trans-111.5132.4-178.3-46174.7000106.9M173M173-I189 HydrophobicContact CE-CB 4.44Å; M173-I189 HydrophobicContact CE-CD1 4.18Å; M173-I189 HydrophobicContact CE-CG1 3.86Å; M173-I189 HydrophobicContact CE-CG2 3.99Å; M173-I189 HydrophobicContact SD-CB 4.1Å; M173-I189 HydrophobicContact SD-CG1 3.72Å; M173-I189 HydrophobicContact SD-CG2 4.01Å
190G89.4Confident91.6Very high38 Ų3848.8 Ų48.839%0.39227%0.274SS..  trans171.1-34.4176.500000113.3
191H93.6Very high91.9Very high12 Ų1244.8 Ų44.86%0.05624%0.241CC..  trans-66.1140.7-179.9-75.2-81000112.8K172 L195 S209 D213 Q215 M217 W219K172-H191 HydrophobicContact CB-CB 4.46Å; H191-L195 HydrophobicContact CB-CD2 4.03Å; H191-L195 HydrophobicContact CB-CG 4.48Å; H191-S209 PolarHBondContact NE2-OG 2.88Å; H191-D213 IonicContact CE1-OD2 3.88Å; H191-D213 IonicContact CG-OD2 3.76Å; H191-D213 IonicContact ND1-OD1 3.49Å; H191-D213 IonicContact ND1-OD2 3.54Å; H191-D213 PolarHBondContact ND1-OD2 3.47Å; H191-Q215 PolarHBondContact CE1-O 2.9Å; H191-M217 VanDerWaalsContact CE1-CG 3.42Å; H191-M217 WeakPolarHBondContact CE1-CG 3.18Å; H191-W219 AromaticContact CD2-CZ2 3.87Å; H191-W219 AromaticContact NE2-CZ2 3.94Å
192T92.7Very high92.2Very high96 Ų9644.9 Ų44.959%0.58925%0.246SC*.SBendtrans-99.5-20.5-178.9600000112.1K172 D213K172-T192 WeakPolarHBondContact CD-O 3.44Å; K172-T192 VanDerWaalsContact CE-O 3.3Å; K172-T192 WeakPolarHBondContact CE-O 3.24Å; K172-T192 PolarHBondContact NZ-O 2.86Å; T192-D213 PolarHBondContact N-OD2 2.94Å; T192-D213 WeakPolarHBondContact OG1-CB 3.45Å
193G92.9Very high92.4Very high12 Ų1248.7 Ų48.712%0.12427%0.265CS..SBendtrans-111.2171.6176.900000113.4K172K172-G193 WeakPolarHBondContact CB-O 3.47Å; K172-G193 VanDerWaalsContact CG-O 3.31Å; K172-G193 WeakPolarHBondContact CG-O 3.37Å
194Y94.1Very high92.5Very high72 Ų7241.9 Ų41.928%0.28224%0.236SC..  trans-67.4149172.160.3-101.7000110.6W170 N196 G211 K212W170-Y194 HydrophobicContact CD2-CD2 4.19Å; W170-Y194 HydrophobicContact CD2-CG 4.19Å; W170-Y194 AromaticContact CE2-CD2 3.93Å; W170-Y194 HydrophobicContact CE3-CG 4.27Å; W170-Y194 HydrophobicContact CH2-CD2 4.4Å; W170-Y194 HydrophobicContact CH2-CE2 4.27Å; W170-Y194 HydrophobicContact CZ2-CD2 4.05Å; W170-Y194 HydrophobicContact CZ2-CE2 4.09Å; Y194-N196 WeakPolarHBondContact CE2-OD1 3.34Å; Y194-G211 WeakPolarHBondContact O-CA 3.4Å; Y194-K212 HydrophobicContact CD1-CB 3.89Å; Y194-K212 HydrophobicContact CD1-CG 4.24Å; Y194-K212 HydrophobicContact CD2-CB 3.99Å; Y194-K212 HydrophobicContact CE1-CB 3.6Å; Y194-K212 HydrophobicContact CE1-CD 4.31Å; Y194-K212 HydrophobicContact CE1-CG 3.59Å; Y194-K212 HydrophobicContact CE2-CB 3.7Å; Y194-K212 HydrophobicContact CE2-CG 4.37Å; Y194-K212 HydrophobicContact CG-CB 4.08Å; Y194-K212 VanDerWaalsContact CZ-CB 3.5Å; Y194-K212 PolarHBondContact O-N 2.88Å
195L96.2Very high92.5Very high0 Ų041.1 Ų41.10%023%0.234CC..EExtended strand (participates in β ladder)trans-98.8136.1-178.3-61.2174.6000111.6S152 C168 G169 W170 V174 H191S152-L195 WeakPolarHBondContact CB-O 3.44Å; S152-L195 PolarHBondContact OG-O 2.92Å; C168-L195 HydrophobicContact CB-CB 3.89Å; C168-L195 HydrophobicContact CB-CD1 3.87Å; G169-L195 WeakPolarHBondContact O-CB 3.43Å; G169-L195 PolarHBondContact O-N 3.07Å; W170-L195 VanDerWaalsContact CD1-O 3.26Å; W170-L195 PolarHBondContact NE1-O 2.79Å; V174-L195 HydrophobicContact CG2-CD1 3.49Å; V174-L195 VanDerWaalsContact CG2-CD1 3.49Å; H191-L195 HydrophobicContact CB-CD2 4.03Å; H191-L195 HydrophobicContact CB-CG 4.48Å
196N95.1Very high92.7Very high35 Ų3536.8 Ų36.819%0.18722%0.216CC..EExtended strand (participates in β ladder)trans-99.6-38.2176.8-67-34.8000111.7Y194 G210 N235 I236Y194-N196 WeakPolarHBondContact CE2-OD1 3.34Å; N196-G210 PolarHBondContact N-O 3.42Å; N196-N235 PolarHBondContact ND2-OD1 3.44Å; N196-I236 WeakPolarHBondContact CB-O 3.39Å; N196-I236 PolarHBondContact ND2-O 2.95Å
197T96.1Very high92.9Very high13 Ų1335 Ų358%0.0821%0.205CC..EExtended strand (participates in β ladder)trans-143.3148.1-167.7-173.40000111.9C168 S209 G210 I236 L239C168-T197 VanDerWaalsContact SG-C 3.55Å; T197-S209 WeakPolarHBondContact O-CA 3.32Å; T197-G210 PolarHBondContact N-O 2.66Å; T197-G210 PolarHBondContact O-N 3.36Å; T197-G210 VanDerWaalsContact O-N 3.08Å; T197-I236 HydrophobicContact CG2-CG2 4.04Å; T197-L239 HydrophobicContact CG2-CB 4.02Å; T197-L239 HydrophobicContact CG2-CD1 3.92Å; T197-L239 HydrophobicContact CG2-CG 3.74Å
198V96.4Very high93.1Very high1 Ų131.5 Ų31.51%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-134.7145.2167.3700000108.5C153 R155 V166 C168 V174 C207 A208C153-V198 HydrophobicContact CB-CG1 3.98Å; R155-V198 HydrophobicContact CG-CG1 4.26Å; R155-V198 WeakPolarHBondContact CG-O 3.37Å; V166-V198 HydrophobicContact CG1-CG2 3.8Å; C168-V198 HydrophobicContact CB-CB 4.03Å; C168-V198 HydrophobicContact CB-CG1 4.32Å; V174-V198 HydrophobicContact CG1-CG2 4.42Å; V198-C207 WeakPolarHBondContact CG2-SG 3.47Å; V198-A208 CarbonylContact C-O 3.54Å; V198-A208 WeakPolarHBondContact CA-O 3.49Å
199T95.6Very high93.3Very high21 Ų2131.2 Ų31.213%0.12918%0.184CC..EExtended strand (participates in β ladder)trans-141.4150.4174.9-166.20000109.6C207 A208 L239 F241 L248T199-C207 WeakPolarHBondContact O-CA 3.37Å; T199-A208 HydrophobicContact CG2-CB 4.01Å; T199-A208 PolarHBondContact N-O 3.18Å; T199-A208 PolarHBondContact O-N 3.39Å; T199-L239 WeakPolarHBondContact CB-O 3.23Å; T199-L239 HydrophobicContact CG2-CB 3.63Å; T199-F241 HydrophobicContact CG2-CD2 3.67Å; T199-F241 HydrophobicContact CG2-CE2 3.71Å; T199-L248 HydrophobicContact CG2-CD1 4.38Å
200V95.1Very high93.5Very high19 Ų1925.4 Ų25.412%0.11516%0.155CC..EExtended strand (participates in β ladder)trans-114.7140.9-178.6-177.40000107.7R155 V166 L206 L221R155-V200 HydrophobicContact CB-CG2 4.23Å; V166-V200 HydrophobicContact CB-CG2 4.35Å; V166-V200 HydrophobicContact CG2-CG2 4.05Å; V200-L206 WeakPolarHBondContact CA-O 3.3Å; V200-L206 WeakPolarHBondContact CG1-O 3.49Å; V200-L221 HydrophobicContact CG1-CD1 3.79Å; V200-L221 HydrophobicContact CG2-CD1 4.42Å
201S93.6Very high93.7Very high4 Ų423.6 Ų23.63%0.02814%0.136CC..  trans-65.7155.2177.155.90000111.5P158 D203 G204 S205 L206P158-S201 WeakPolarHBondContact CG-O 3.48Å; S201-D203 WeakPolarHBondContact CB-OD1 3.43Å; S201-D203 PolarHBondContact O-N 3.4Å; S201-D203 PolarHBondContact OG-OD1 2.49Å; S201-G204 WeakPolarHBondContact O-CA 3.34Å; S201-G204 PolarHBondContact O-N 2.61Å; S201-S205 PolarHBondContact OG-N 2.92Å; S201-L206 PolarHBondContact N-O 3.17Å; S201-L206 WeakPolarHBondContact OG-CB 3.2Å; S201-L206 PolarHBondContact OG-N 3.09Å; S201-L206 PolarHBondContact OG-O 3.31Å
202P89.9Confident93.7Very high81 Ų8128.1 Ų28.153%0.52616%0.155SC..THydrogen-bonded Turntrans-58.5-28.8-179.4-25.233.6000114.7P158 G204P158-P202 WeakPolarHBondContact CG-O 3.23Å; P202-G204 VanDerWaalsContact C-N 3.34Å
203D88.1Confident93.7Very high98 Ų9825.1 Ų25.152%0.52414%0.136SC..THydrogen-bonded Turntrans-82.8-11.4175.169.3-18.6000113.2S201 S205S201-D203 WeakPolarHBondContact CB-OD1 3.43Å; S201-D203 PolarHBondContact O-N 3.4Å; S201-D203 PolarHBondContact OG-OD1 2.49Å; D203-S205 VanDerWaalsContact C-N 3.26Å; D203-S205 PolarHBondContact O-N 2.96Å; D203-S205 PolarHBondContact OD1-N 3.37Å; D203-S205 PolarHBondContact OD1-OG 2.89Å; D203-S205 VanDerWaalsContact OD1-OG 3.09Å; D203-S205 WeakPolarHBondContact OD2-CB 3.13Å; D203-S205 PolarHBondContact OD2-OG 3.19Å
204G89Confident93.6Very high1 Ų124.7 Ų24.71%0.0113%0.132CC..SBendtrans73.510.4-179.800000115.2S201 P202S201-G204 WeakPolarHBondContact O-CA 3.34Å; S201-G204 PolarHBondContact O-N 2.61Å; P202-G204 VanDerWaalsContact C-N 3.34Å
205S90Very high93.6Very high24 Ų2424.3 Ų24.317%0.16813%0.132CC..SBendtrans-83.6-34.517969.90000112.5S201 D203 L221S201-S205 PolarHBondContact OG-N 2.92Å; D203-S205 VanDerWaalsContact C-N 3.26Å; D203-S205 PolarHBondContact O-N 2.96Å; D203-S205 PolarHBondContact OD1-N 3.37Å; D203-S205 PolarHBondContact OD1-OG 2.89Å; D203-S205 VanDerWaalsContact OD1-OG 3.09Å; D203-S205 WeakPolarHBondContact OD2-CB 3.13Å; D203-S205 PolarHBondContact OD2-OG 3.19Å; S205-L221 PolarHBondContact O-N 3.48Å
206L93.1Very high93.5Very high6 Ų624.3 Ų24.33%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-109.5145.6-176.5-62.9-179.8000112.3V200 S201 L218 W219 L227 F241 Y246V200-L206 WeakPolarHBondContact CA-O 3.3Å; V200-L206 WeakPolarHBondContact CG1-O 3.49Å; S201-L206 PolarHBondContact N-O 3.17Å; S201-L206 WeakPolarHBondContact OG-CB 3.2Å; S201-L206 PolarHBondContact OG-N 3.09Å; S201-L206 PolarHBondContact OG-O 3.31Å; L206-L218 HydrophobicContact CD1-CD2 4.26Å; L206-W219 WeakPolarHBondContact CA-O 3.37Å; L206-L227 HydrophobicContact CD2-CD1 3.34Å; L206-F241 HydrophobicContact CB-CZ 4.13Å; L206-F241 HydrophobicContact CD1-CE1 4.49Å; L206-Y246 HydrophobicContact CD1-CE2 3.88Å; L206-Y246 VanDerWaalsContact CD1-OH 3.29Å; L206-Y246 WeakPolarHBondContact CD1-OH 3.4Å
207C94.9Very high93.5Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-120.8132.3165.8170.60000108.9V198 T199 L218 W219 L221V198-C207 WeakPolarHBondContact CG2-SG 3.47Å; T199-C207 WeakPolarHBondContact O-CA 3.37Å; C207-L218 CarbonylContact O-C 3.56Å; C207-L218 WeakPolarHBondContact O-CA 3.32Å; C207-W219 HydrophobicContact CB-CB 4.28Å; C207-W219 PolarHBondContact N-O 3.35Å; C207-W219 PolarHBondContact O-N 2.75Å; C207-L221 HydrophobicContact CB-CD1 3.97Å; C207-L221 HydrophobicContact CB-CD2 3.67Å; C207-L221 HydrophobicContact CB-CG 3.75Å
208A96Very high93.4Very high0 Ų022.4 Ų22.40%012%0.122CC..EExtended strand (participates in β ladder)trans-113.8129.7169.400000109.7V198 T199 M217 L218 L239 F241 L248V198-A208 CarbonylContact C-O 3.54Å; V198-A208 WeakPolarHBondContact CA-O 3.49Å; T199-A208 HydrophobicContact CG2-CB 4.01Å; T199-A208 PolarHBondContact N-O 3.18Å; T199-A208 PolarHBondContact O-N 3.39Å; A208-M217 WeakPolarHBondContact CA-O 3.44Å; A208-L218 HydrophobicContact CB-CG 4.44Å; A208-L239 HydrophobicContact CB-CD1 4.21Å; A208-F241 HydrophobicContact CB-CE1 4.48Å; A208-F241 HydrophobicContact CB-CE2 3.77Å; A208-F241 HydrophobicContact CB-CZ 3.55Å; A208-L248 HydrophobicContact CB-CD1 3.95Å; A208-L248 HydrophobicContact CB-CD2 3.95Å
209S96.4Very high93.4Very high0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-124.8148.6175.954.80000111.1H191 T197 A216 M217 W219H191-S209 PolarHBondContact NE2-OG 2.88Å; T197-S209 WeakPolarHBondContact O-CA 3.32Å; S209-A216 CarbonylContact O-C 3.53Å; S209-A216 WeakPolarHBondContact O-CA 3.38Å; S209-M217 PolarHBondContact N-O 2.64Å; S209-M217 PolarHBondContact O-N 3.47Å; S209-W219 PolarHBondContact OG-NE1 2.62Å
210G95.8Very high93.2Very high0 Ų022.9 Ų22.90%012%0.123CC..EExtended strand (participates in β ladder)trans-157.2156.3-179.200000112.8N196 T197N196-G210 PolarHBondContact N-O 3.42Å; T197-G210 PolarHBondContact N-O 2.66Å; T197-G210 PolarHBondContact O-N 3.36Å; T197-G210 VanDerWaalsContact O-N 3.08Å
211G94.3Very high92.9Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans-170.1-139.4178.300000112.9Y194 D213 G214 N235 I236Y194-G211 WeakPolarHBondContact O-CA 3.4Å; G211-D213 VanDerWaalsContact C-N 3.31Å; G211-D213 PolarHBondContact O-N 2.93Å; G211-G214 PolarHBondContact O-N 2.75Å; G211-N235 PolarHBondContact O-OD1 3.4Å; G211-I236 PolarHBondContact O-N 2.96Å
212K93.6Very high92.6Very high107 Ų10726.8 Ų26.847%0.46514%0.143SC..THydrogen-bonded Turntrans-70.4-23.8-168.3-174.354.3178.6172.40114.9Y194 G214 N235Y194-K212 HydrophobicContact CD1-CB 3.89Å; Y194-K212 HydrophobicContact CD1-CG 4.24Å; Y194-K212 HydrophobicContact CD2-CB 3.99Å; Y194-K212 HydrophobicContact CE1-CB 3.6Å; Y194-K212 HydrophobicContact CE1-CD 4.31Å; Y194-K212 HydrophobicContact CE1-CG 3.59Å; Y194-K212 HydrophobicContact CE2-CB 3.7Å; Y194-K212 HydrophobicContact CE2-CG 4.37Å; Y194-K212 HydrophobicContact CG-CB 4.08Å; Y194-K212 VanDerWaalsContact CZ-CB 3.5Å; Y194-K212 PolarHBondContact O-N 2.88Å; K212-G214 PolarHBondContact O-N 3.12Å; K212-N235 VanDerWaalsContact CA-OD1 3.26Å; K212-N235 WeakPolarHBondContact CA-OD1 3.29Å; K212-N235 HydrophobicContact CD-CB 4.08Å; K212-N235 PolarHBondContact N-OD1 2.95Å
213D91.5Very high92.4Very high34 Ų3428.7 Ų28.718%0.18215%0.145CC..THydrogen-bonded Turntrans-69.6-11.1176.353.814.8000113.1H191 T192 G211 Q215H191-D213 IonicContact CE1-OD2 3.88Å; H191-D213 IonicContact CG-OD2 3.76Å; H191-D213 IonicContact ND1-OD1 3.49Å; H191-D213 IonicContact ND1-OD2 3.54Å; H191-D213 PolarHBondContact ND1-OD2 3.47Å; T192-D213 PolarHBondContact N-OD2 2.94Å; T192-D213 WeakPolarHBondContact OG1-CB 3.45Å; G211-D213 VanDerWaalsContact C-N 3.31Å; G211-D213 PolarHBondContact O-N 2.93Å; D213-Q215 PolarHBondContact O-N 3.21Å; D213-Q215 PolarHBondContact OD1-N 3.24Å
214G91Very high92.2Very high3 Ų325.1 Ų25.13%0.03113%0.131CC..  trans6818-176.400000113.1G211 K212 S232 D234G211-G214 PolarHBondContact O-N 2.75Å; K212-G214 PolarHBondContact O-N 3.12Å; G214-S232 WeakPolarHBondContact O-CA 3.37Å; G214-S232 VanDerWaalsContact O-CB 3.24Å; G214-S232 WeakPolarHBondContact O-CB 3.31Å; G214-S232 PolarHBondContact O-N 3.44Å; G214-D234 WeakPolarHBondContact CA-O 3.42Å
215Q93.3Very high92.2Very high64 Ų6430.8 Ų30.830%0.29916%0.155SC..EExtended strand (participates in β ladder)trans-107.2119.9179.7-69.2-173.1-7.400109.7H191 D213 M217 T229H191-Q215 PolarHBondContact CE1-O 2.9Å; D213-Q215 PolarHBondContact O-N 3.21Å; D213-Q215 PolarHBondContact OD1-N 3.24Å; Q215-M217 HydrophobicContact CB-CE 4.39Å; Q215-T229 HydrophobicContact CB-CG2 3.67Å; Q215-T229 HydrophobicContact CG-CG2 3.92Å
216A94.8Very high92.4Very high0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-88104.7167.500000108.1S209 L230 I236 L239 L248S209-A216 CarbonylContact O-C 3.53Å; S209-A216 WeakPolarHBondContact O-CA 3.38Å; A216-L230 HydrophobicContact CB-CB 4.24Å; A216-L230 PolarHBondContact N-O 3.06Å; A216-L230 PolarHBondContact O-N 3.41Å; A216-I236 HydrophobicContact CB-CD1 3.88Å; A216-L239 HydrophobicContact CB-CD2 4.36Å; A216-L248 HydrophobicContact CB-CD2 4.46Å
217M94.9Very high92.3Very high8 Ų837 Ų374%0.03918%0.184CC..EExtended strand (participates in β ladder)trans-92.2130.7178.5-66.2-170.1178.700110.1H191 A208 S209 Q215 W219 T229H191-M217 VanDerWaalsContact CE1-CG 3.42Å; H191-M217 WeakPolarHBondContact CE1-CG 3.18Å; A208-M217 WeakPolarHBondContact CA-O 3.44Å; S209-M217 PolarHBondContact N-O 2.64Å; S209-M217 PolarHBondContact O-N 3.47Å; Q215-M217 HydrophobicContact CB-CE 4.39Å; M217-W219 HydrophobicContact CB-CH2 4.42Å; M217-W219 HydrophobicContact CB-CZ2 3.52Å; M217-W219 HydrophobicContact CG-CZ2 4.11Å; M217-W219 PolarHBondContact O-NE1 2.98Å; M217-W219 HydrophobicContact SD-CH2 3.74Å; M217-W219 HydrophobicContact SD-CZ2 3.49Å; M217-W219 WeakPolarHBondContact SD-CZ2 3.47Å; M217-T229 HydrophobicContact CG-CG2 4.11Å
218L95.3Very high92.2Very high0 Ų038.9 Ų38.90%019%0.191CC..EExtended strand (participates in β ladder)trans-100.6134.1172.9-83.879.6000110.7L206 C207 A208 L227 Y228 L230 L248 L261L206-L218 HydrophobicContact CD1-CD2 4.26Å; C207-L218 CarbonylContact O-C 3.56Å; C207-L218 WeakPolarHBondContact O-CA 3.32Å; A208-L218 HydrophobicContact CB-CG 4.44Å; L218-L227 HydrophobicContact CB-CB 4.46Å; L218-L227 PolarHBondContact O-N 3.08Å; L218-Y228 HydrophobicContact CD1-CE2 4.24Å; L218-Y228 HydrophobicContact CD2-CE2 4.15Å; L218-Y228 PolarHBondContact N-O 2.82Å; L218-L230 HydrophobicContact CD1-CD1 3.91Å; L218-L230 HydrophobicContact CD1-CG 4.36Å; L218-L248 HydrophobicContact CD1-CD2 3.9Å; L218-L261 HydrophobicContact CD1-CD2 4.46Å; L218-L261 HydrophobicContact CD2-CD1 4.27Å; L218-L261 HydrophobicContact CD2-CD2 3.75Å
219W94.5Very high92.1Very high4 Ų441.5 Ų41.52%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-126139.1-178.9-4186.7000109.2H188 H191 L206 C207 S209 M217 K225 H226H188-W219 HydrophobicContact CB-CD2 3.92Å; H188-W219 HydrophobicContact CB-CE3 3.67Å; H188-W219 HydrophobicContact CB-CH2 4.01Å; H188-W219 HydrophobicContact CB-CZ2 4.24Å; H188-W219 HydrophobicContact CB-CZ3 3.72Å; H188-W219 AromaticContact CG-CD2 3.95Å; H188-W219 AromaticContact CG-CE3 3.72Å; H188-W219 AromaticContact ND1-CE3 3.71Å; H191-W219 AromaticContact CD2-CZ2 3.87Å; H191-W219 AromaticContact NE2-CZ2 3.94Å; L206-W219 WeakPolarHBondContact CA-O 3.37Å; C207-W219 HydrophobicContact CB-CB 4.28Å; C207-W219 PolarHBondContact N-O 3.35Å; C207-W219 PolarHBondContact O-N 2.75Å; S209-W219 PolarHBondContact OG-NE1 2.62Å; M217-W219 HydrophobicContact CB-CH2 4.42Å; M217-W219 HydrophobicContact CB-CZ2 3.52Å; M217-W219 HydrophobicContact CG-CZ2 4.11Å; M217-W219 PolarHBondContact O-NE1 2.98Å; M217-W219 HydrophobicContact SD-CH2 3.74Å; M217-W219 HydrophobicContact SD-CZ2 3.49Å; M217-W219 WeakPolarHBondContact SD-CZ2 3.47Å; W219-K225 WeakPolarHBondContact CA-O 3.47Å; W219-H226 HydrophobicContact CE3-CB 3.73Å; W219-H226 AromaticContact CE3-ND1 3.62Å; W219-H226 AromaticContact CH2-ND1 3.64Å; W219-H226 HydrophobicContact CZ3-CB 3.64Å; W219-H226 AromaticContact CZ3-CG 3.87Å; W219-H226 AromaticContact CZ3-ND1 3.4Å; W219-H226 WeakPolarHBondContact CZ3-ND1 3.35Å
220D92.8Very high91.9Very high27 Ų2741.9 Ų41.914%0.14421%0.209CC..EExtended strand (participates in β ladder)trans-84.5119167.6-172.3-28.5000108.9N222 E223 G224 K225 L227D220-N222 WeakPolarHBondContact OD1-CA 3.32Å; D220-N222 WeakPolarHBondContact OD1-CB 3.48Å; D220-N222 PolarHBondContact OD1-N 3.48Å; D220-E223 HydrophobicContact CB-CB 4.36Å; D220-E223 PolarHBondContact OD1-N 3.29Å; D220-E223 VanDerWaalsContact OD1-N 3.14Å; D220-G224 CarbonylContact O-C 3.57Å; D220-G224 WeakPolarHBondContact O-CA 3.33Å; D220-G224 PolarHBondContact O-N 3.29Å; D220-K225 PolarHBondContact N-O 2.87Å; D220-K225 PolarHBondContact O-N 3.49Å; D220-L227 HydrophobicContact CB-CD1 4.17Å; D220-L227 HydrophobicContact CB-CD2 4.16Å; D220-L227 HydrophobicContact CB-CG 4.1Å
221L88.3Confident91.7Very high9 Ų946.9 Ų46.95%0.04724%0.236CC..THydrogen-bonded Turntrans-78.4-20.6-179.7-68.9176.3000113.4V166 V176 V200 S205 C207V166-L221 HydrophobicContact CG2-CD1 4.18Å; V166-L221 HydrophobicContact CG2-CD2 3.84Å; V176-L221 HydrophobicContact CG2-CD2 3.94Å; V200-L221 HydrophobicContact CG1-CD1 3.79Å; V200-L221 HydrophobicContact CG2-CD1 4.42Å; S205-L221 PolarHBondContact O-N 3.48Å; C207-L221 HydrophobicContact CB-CD1 3.97Å; C207-L221 HydrophobicContact CB-CD2 3.67Å; C207-L221 HydrophobicContact CB-CG 3.75Å
222N86.9Confident91.2Very high97 Ų9747 Ų4752%0.51924%0.237SC..THydrogen-bonded Turntrans-80.9-49.6178.2-64.4-39.2000110.3D220D220-N222 WeakPolarHBondContact OD1-CA 3.32Å; D220-N222 WeakPolarHBondContact OD1-CB 3.48Å; D220-N222 PolarHBondContact OD1-N 3.48Å
223E85.6Confident90.8Very high120 Ų12044.9 Ų44.956%0.56125%0.245SC*.THydrogen-bonded Turntrans-83.7-20.1178.3-64.4-161.7179.100113.5D220 K225D220-E223 HydrophobicContact CB-CB 4.36Å; D220-E223 PolarHBondContact OD1-N 3.29Å; D220-E223 VanDerWaalsContact OD1-N 3.14Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 HydrophobicContact CB-CB 4.47Å; E223-K225 HydrophobicContact CB-CD 4.29Å; E223-K225 HydrophobicContact CB-CG 4.17Å; E223-K225 WeakPolarHBondContact OE2-CD 3.39Å; E223-K225 WeakPolarHBondContact OE2-CE 3.38Å; E223-K225 IonicContact OE2-NZ 2.96Å; E223-K225 PolarHBondContact OE2-NZ 2.95Å
224G84.8Confident90.7Very high23 Ų2346.8 Ų46.824%0.23726%0.255CS..THydrogen-bonded Turntrans7223.3-176.200000113.6H188 D220H188-G224 PolarHBondContact CE1-O 2.92Å; D220-G224 CarbonylContact O-C 3.57Å; D220-G224 WeakPolarHBondContact O-CA 3.33Å; D220-G224 PolarHBondContact O-N 3.29Å
225K89.5Confident90.8Very high120 Ų12047.9 Ų47.952%0.52226%0.26SS..EExtended strand (participates in β ladder)trans-108.4151-174.9-66.2-179.5-166.3152.60112.3W219 D220 E223W219-K225 WeakPolarHBondContact CA-O 3.47Å; D220-K225 PolarHBondContact N-O 2.87Å; D220-K225 PolarHBondContact O-N 3.49Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 HydrophobicContact CB-CB 4.47Å; E223-K225 HydrophobicContact CB-CD 4.29Å; E223-K225 HydrophobicContact CB-CG 4.17Å; E223-K225 WeakPolarHBondContact OE2-CD 3.39Å; E223-K225 WeakPolarHBondContact OE2-CE 3.38Å; E223-K225 IonicContact OE2-NZ 2.96Å; E223-K225 PolarHBondContact OE2-NZ 2.95Å
226H93.3Very high90.9Very high83 Ų8344.8 Ų44.838%0.38425%0.246SC..EExtended strand (participates in β ladder)trans-71.5131.1165.7-176.377000109.6W219 Y228 T229W219-H226 HydrophobicContact CE3-CB 3.73Å; W219-H226 AromaticContact CE3-ND1 3.62Å; W219-H226 AromaticContact CH2-ND1 3.64Å; W219-H226 HydrophobicContact CZ3-CB 3.64Å; W219-H226 AromaticContact CZ3-CG 3.87Å; W219-H226 AromaticContact CZ3-ND1 3.4Å; W219-H226 WeakPolarHBondContact CZ3-ND1 3.35Å; H226-Y228 PolarHBondContact CE1-O 2.94Å; H226-Y228 VanDerWaalsContact NE2-C 3.34Å; H226-Y228 WeakPolarHBondContact NE2-CA 3.45Å; H226-T229 PolarHBondContact CE1-OG1 2.89Å; H226-T229 PolarHBondContact NE2-OG1 3.08Å
227L91.5Very high90.9Very high78 Ų7846.8 Ų46.841%0.40826%0.257SS..EExtended strand (participates in β ladder)trans-93.5-63.8178.4-68.3176.1000111L206 L218 D220L206-L227 HydrophobicContact CD2-CD1 3.34Å; L218-L227 HydrophobicContact CB-CB 4.46Å; L218-L227 PolarHBondContact O-N 3.08Å; D220-L227 HydrophobicContact CB-CD1 4.17Å; D220-L227 HydrophobicContact CB-CD2 4.16Å; D220-L227 HydrophobicContact CB-CG 4.1Å
228Y91.7Very high90.9Very high39 Ų3946.7 Ų46.715%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-163.9168.4177.655-91.9000110.8L218 H226 L230 L261 K264L218-Y228 HydrophobicContact CD1-CE2 4.24Å; L218-Y228 HydrophobicContact CD2-CE2 4.15Å; L218-Y228 PolarHBondContact N-O 2.82Å; H226-Y228 PolarHBondContact CE1-O 2.94Å; H226-Y228 VanDerWaalsContact NE2-C 3.34Å; H226-Y228 WeakPolarHBondContact NE2-CA 3.45Å; Y228-L230 HydrophobicContact CD2-CD2 4.02Å; Y228-L230 HydrophobicContact CD2-CG 4.09Å; Y228-L230 HydrophobicContact CE2-CD1 4.17Å; Y228-L230 HydrophobicContact CE2-CD2 3.85Å; Y228-L230 HydrophobicContact CE2-CG 3.91Å; Y228-L261 PolarHBondContact OH-O 3.18Å; Y228-K264 HydrophobicContact CD2-CD 4.35Å; Y228-K264 HydrophobicContact CE1-CD 4.49Å; Y228-K264 HydrophobicContact CE2-CD 4.27Å; Y228-K264 HydrophobicContact CE2-CG 4.22Å
229T93.4Very high90.9Very high55 Ų5547.1 Ų47.134%0.33726%0.259SS..EExtended strand (participates in β ladder)trans-115.6135.1179.2-59.50000109.8Q215 M217 H226Q215-T229 HydrophobicContact CB-CG2 3.67Å; Q215-T229 HydrophobicContact CG-CG2 3.92Å; M217-T229 HydrophobicContact CG-CG2 4.11Å; H226-T229 PolarHBondContact CE1-OG1 2.89Å; H226-T229 PolarHBondContact NE2-OG1 3.08Å
230L92.4Very high91Very high8 Ų847.6 Ų47.64%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-107.1122.4173.6-62171.7000108.9A216 L218 Y228 S232 L248 W259 L261A216-L230 HydrophobicContact CB-CB 4.24Å; A216-L230 PolarHBondContact N-O 3.06Å; A216-L230 PolarHBondContact O-N 3.41Å; L218-L230 HydrophobicContact CD1-CD1 3.91Å; L218-L230 HydrophobicContact CD1-CG 4.36Å; Y228-L230 HydrophobicContact CD2-CD2 4.02Å; Y228-L230 HydrophobicContact CD2-CG 4.09Å; Y228-L230 HydrophobicContact CE2-CD1 4.17Å; Y228-L230 HydrophobicContact CE2-CD2 3.85Å; Y228-L230 HydrophobicContact CE2-CG 3.91Å; L230-S232 PolarHBondContact O-N 3.35Å; L230-L248 HydrophobicContact CD1-CD2 4.22Å; L230-W259 HydrophobicContact CB-CD2 4.43Å; L230-W259 HydrophobicContact CB-CZ2 4.48Å; L230-W259 HydrophobicContact CD1-CB 4.04Å; L230-W259 HydrophobicContact CD1-CD2 4.13Å; L230-W259 HydrophobicContact CD1-CE3 4.47Å; L230-W259 HydrophobicContact CD1-CG 3.93Å; L230-W259 HydrophobicContact CD2-CD2 4.27Å; L230-W259 HydrophobicContact CD2-CE3 3.86Å; L230-W259 HydrophobicContact CD2-CZ3 4.06Å; L230-L261 HydrophobicContact CD1-CD2 3.91Å
231D91.6Very high91.1Very high106 Ų10647.2 Ų47.257%0.56726%0.26SS*.EExtended strand (participates in β ladder)trans-82.5113.5180-173.16.4000110.9G233 W259D231-G233 PolarHBondContact OD1-N 2.88Å; D231-W259 WeakPolarHBondContact O-CZ2 3.39Å
232S84.4Confident91.4Very high2 Ų247 Ų471%0.01426%0.259CS..  trans-92-15.5179.6-71.40000113.1G214 L230 D234 T252 K257G214-S232 WeakPolarHBondContact O-CA 3.37Å; G214-S232 VanDerWaalsContact O-CB 3.24Å; G214-S232 WeakPolarHBondContact O-CB 3.31Å; G214-S232 PolarHBondContact O-N 3.44Å; L230-S232 PolarHBondContact O-N 3.35Å; S232-D234 PolarHBondContact O-N 2.97Å; S232-T252 VanDerWaalsContact CB-CG2 3.43Å; S232-K257 WeakPolarHBondContact O-CE 3.29Å; S232-K257 PolarHBondContact O-NZ 2.87Å
233G84.6Confident91.6Very high62 Ų6245.2 Ų45.264%0.63925%0.253SS*.SBendtrans75.7-12.917500000116.8D231D231-G233 PolarHBondContact OD1-N 2.88Å
234D89.4Confident91.8Very high74 Ų7443.2 Ų43.240%0.39625%0.246SC..SBendtrans-147.7169.2173.7-158.6-4.9000110.5G214 S232 I236G214-D234 WeakPolarHBondContact CA-O 3.42Å; S232-D234 PolarHBondContact O-N 2.97Å; D234-I236 PolarHBondContact O-N 2.85Å
235N92.9Very high92.1Very high26 Ų2644 Ų4414%0.13924%0.242CC..  trans-53.6125.1-179.3179.834.5000112N196 G211 K212 N237 G253N196-N235 PolarHBondContact ND2-OD1 3.44Å; G211-N235 PolarHBondContact O-OD1 3.4Å; K212-N235 VanDerWaalsContact CA-OD1 3.26Å; K212-N235 WeakPolarHBondContact CA-OD1 3.29Å; K212-N235 HydrophobicContact CD-CB 4.08Å; K212-N235 PolarHBondContact N-OD1 2.95Å; N235-N237 PolarHBondContact ND2-OD1 2.89Å; N235-G253 PolarHBondContact O-N 3.23Å; N235-G253 VanDerWaalsContact O-N 3.08Å
236I95.5Very high92.2Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-87.5118.4178.6-59.1164.7000108.6N196 T197 G211 A216 D234 L239 A251 T252N196-I236 WeakPolarHBondContact CB-O 3.39Å; N196-I236 PolarHBondContact ND2-O 2.95Å; T197-I236 HydrophobicContact CG2-CG2 4.04Å; G211-I236 PolarHBondContact O-N 2.96Å; A216-I236 HydrophobicContact CB-CD1 3.88Å; D234-I236 PolarHBondContact O-N 2.85Å; I236-L239 HydrophobicContact CG2-CD1 4.31Å; I236-L239 HydrophobicContact CG2-CD2 3.91Å; I236-L239 HydrophobicContact CG2-CG 3.75Å; I236-A251 WeakPolarHBondContact CA-O 3.37Å; I236-T252 HydrophobicContact CG1-CG2 4.2Å
237N94.6Very high92.3Very high42 Ų4240.6 Ų40.623%0.22522%0.223CC..EExtended strand (participates in β ladder)trans-92-38.5177.9-65.2-38.2000112.2N235 A251 C286N235-N237 PolarHBondContact ND2-OD1 2.89Å; N237-A251 PolarHBondContact N-O 3.25Å; N237-C286 WeakPolarHBondContact CB-O 3.36Å; N237-C286 PolarHBondContact ND2-O 3.35Å
238A95.8Very high92.4Very high6 Ų636.9 Ų36.95%0.0520%0.204CC..EExtended strand (participates in β ladder)trans-144146.9-177.600000111.3A251 L289A238-A251 HydrophobicContact CB-CB 4.03Å; A238-A251 PolarHBondContact O-N 2.89Å; A238-L289 HydrophobicContact CB-CB 4.43Å; A238-L289 HydrophobicContact CB-CD1 4.5Å; A238-L289 HydrophobicContact CB-CG 4.24Å
239L96.1Very high92.6Very high9 Ų935 Ų355%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-130137.7173.7-72.1169.8000109.2T197 T199 A208 A216 I236 L248 C249 A250T197-L239 HydrophobicContact CG2-CB 4.02Å; T197-L239 HydrophobicContact CG2-CD1 3.92Å; T197-L239 HydrophobicContact CG2-CG 3.74Å; T199-L239 WeakPolarHBondContact CB-O 3.23Å; T199-L239 HydrophobicContact CG2-CB 3.63Å; A208-L239 HydrophobicContact CB-CD1 4.21Å; A216-L239 HydrophobicContact CB-CD2 4.36Å; I236-L239 HydrophobicContact CG2-CD1 4.31Å; I236-L239 HydrophobicContact CG2-CD2 3.91Å; I236-L239 HydrophobicContact CG2-CG 3.75Å; L239-L248 HydrophobicContact CB-CD1 4.45Å; L239-L248 HydrophobicContact CD2-CD1 4.17Å; L239-L248 HydrophobicContact CD2-CD2 4.37Å; L239-L248 HydrophobicContact CD2-CG 4.31Å; L239-C249 WeakPolarHBondContact CA-O 3.11Å; L239-A250 HydrophobicContact CD2-CB 3.55Å
240C95.3Very high92.7Very high13 Ų1332.4 Ų32.49%0.08818%0.18CC..EExtended strand (participates in β ladder)trans-145.2136.8168.963.70000111.4C249 L289C240-C249 PolarHBondContact N-O 3.02Å; C240-C249 PolarHBondContact O-N 3.1Å; C240-L289 HydrophobicContact CB-CB 4.45Å; C240-L289 VanDerWaalsContact SG-CB 3.53Å
241F95.8Very high92.8Very high19 Ų1932 Ų328%0.08318%0.178CC..EExtended strand (participates in β ladder)trans-78.9145.2167.5-70.3-79000109.8T199 L206 A208 W247 L248 L261T199-F241 HydrophobicContact CG2-CD2 3.67Å; T199-F241 HydrophobicContact CG2-CE2 3.71Å; L206-F241 HydrophobicContact CB-CZ 4.13Å; L206-F241 HydrophobicContact CD1-CE1 4.49Å; A208-F241 HydrophobicContact CB-CE1 4.48Å; A208-F241 HydrophobicContact CB-CE2 3.77Å; A208-F241 HydrophobicContact CB-CZ 3.55Å; F241-W247 WeakPolarHBondContact CA-O 3.46Å; F241-L248 HydrophobicContact CD1-CB 4.35Å; F241-L248 HydrophobicContact CD1-CD1 3.98Å; F241-L248 HydrophobicContact CD2-CD1 4.47Å; F241-L248 HydrophobicContact CE1-CB 4.34Å; F241-L248 HydrophobicContact CE1-CD1 3.94Å; F241-L248 HydrophobicContact CE2-CD1 4.44Å; F241-L248 HydrophobicContact CG-CD1 4.26Å; F241-L248 HydrophobicContact CZ-CD1 4.19Å; F241-L261 HydrophobicContact CD1-CD1 3.92Å; F241-L261 HydrophobicContact CE1-CD1 3.56Å
242S94.3Very high92.8Very high4 Ų427.1 Ų27.13%0.02815%0.152CC..  trans-67.7140.8166.1174.40000110.1N244 R245 W247S242-N244 VanDerWaalsContact C-N 3.33Å; S242-N244 PolarHBondContact OG-N 3Å; S242-N244 PolarHBondContact OG-OD1 2.72Å; S242-R245 WeakPolarHBondContact CB-O 3.31Å; S242-R245 PolarHBondContact OG-N 2.84Å; S242-W247 PolarHBondContact N-O 3.44Å
243P91.5Very high92.9Very high60 Ų6027.1 Ų27.139%0.3915%0.152SC..SBendtrans-74.5-22179.129.2-34.9000113.5W291 S292P243-W291 HydrophobicContact CG-CB 4.31Å; P243-S292 WeakPolarHBondContact CG-O 3.14Å
244N90.2Very high93Very high78 Ų7826.1 Ų26.142%0.41714%0.135SC..SBendtrans-119.2-19.6-17270.9-8.1000114.4S242 D294S242-N244 VanDerWaalsContact C-N 3.33Å; S242-N244 PolarHBondContact OG-N 3Å; S242-N244 PolarHBondContact OG-OD1 2.72Å; N244-D294 PolarHBondContact ND2-O 2.72Å
245R90.5Very high93.1Very high41 Ų4123 Ų2316%0.15512%0.118CC..SBendtrans-120.7155.1-178.1-70.8173.1-173.596-9.7108.9E3 S242 W247 G295E3-R245 IonicContact OE1-CZ 3.18Å; E3-R245 IonicContact OE1-NE 3.94Å; E3-R245 PolarHBondContact OE1-NE 2.84Å; E3-R245 IonicContact OE1-NH2 2.69Å; E3-R245 PolarHBondContact OE1-NH2 3.23Å; E3-R245 WeakPolarHBondContact OE2-CD 3.49Å; E3-R245 IonicContact OE2-CZ 2.82Å; E3-R245 IonicContact OE2-NE 2.84Å; E3-R245 PolarHBondContact OE2-NE 2.86Å; E3-R245 IonicContact OE2-NH2 3.78Å; S242-R245 WeakPolarHBondContact CB-O 3.31Å; S242-R245 PolarHBondContact OG-N 2.84Å; R245-W247 HydrophobicContact CB-CB 4.43Å; R245-W247 HydrophobicContact CB-CD2 4.08Å; R245-W247 HydrophobicContact CB-CG 3.97Å; R245-W247 PolarHBondContact O-N 2.76Å; R245-G295 PolarHBondContact NH1-O 2.89Å
246Y91.9Very high93.1Very high113 Ų11321.7 Ų21.744%0.44311%0.112SC..SBendtrans-80.950.4176.6-154.7-133.6000111.8L206 L261 E262L206-Y246 HydrophobicContact CD1-CE2 3.88Å; L206-Y246 VanDerWaalsContact CD1-OH 3.29Å; L206-Y246 WeakPolarHBondContact CD1-OH 3.4Å; Y246-L261 HydrophobicContact CD1-CB 3.43Å; Y246-L261 VanDerWaalsContact CD1-CB 3.43Å; Y246-L261 HydrophobicContact CD1-CD1 4.49Å; Y246-L261 HydrophobicContact CD2-CD1 4.21Å; Y246-L261 HydrophobicContact CE1-CB 3.43Å; Y246-L261 VanDerWaalsContact CE1-CB 3.43Å; Y246-L261 HydrophobicContact CE1-CD1 4.43Å; Y246-L261 HydrophobicContact CE2-CD1 4.16Å; Y246-L261 HydrophobicContact CG-CB 4.02Å; Y246-L261 HydrophobicContact CG-CD1 4.37Å; Y246-L261 WeakPolarHBondContact O-CB 3.42Å; Y246-L261 WeakPolarHBondContact O-CG 3.48Å; Y246-L261 PolarHBondContact O-N 3.3Å; Y246-E262 HydrophobicContact CD1-CB 4.23Å
247W94.1Very high93Very high18 Ų1823.1 Ų23.17%0.06812%0.118CC..EExtended strand (participates in β ladder)trans-108.3142.1-177.3-68.6-3.4000111.8E3 F241 S242 R245 I258 W259 V267 W291 V312E3-W247 HydrophobicContact CB-CH2 3.76Å; E3-W247 HydrophobicContact CB-CZ2 4.11Å; E3-W247 VanDerWaalsContact OE2-CH2 3.23Å; E3-W247 WeakPolarHBondContact OE2-CH2 3.22Å; E3-W247 WeakPolarHBondContact OE2-CZ2 3.17Å; F241-W247 WeakPolarHBondContact CA-O 3.46Å; S242-W247 PolarHBondContact N-O 3.44Å; R245-W247 HydrophobicContact CB-CB 4.43Å; R245-W247 HydrophobicContact CB-CD2 4.08Å; R245-W247 HydrophobicContact CB-CG 3.97Å; R245-W247 PolarHBondContact O-N 2.76Å; W247-I258 HydrophobicContact CB-CG2 4.17Å; W247-I258 HydrophobicContact CD2-CG2 3.98Å; W247-I258 HydrophobicContact CE3-CG2 3.8Å; W247-I258 HydrophobicContact CG-CG2 4.18Å; W247-I258 HydrophobicContact CZ3-CG2 4.49Å; W247-W259 CarbonylContact C-O 3.5Å; W247-W259 WeakPolarHBondContact CA-O 3.43Å; W247-V267 HydrophobicContact CH2-CG1 4.18Å; W247-V267 HydrophobicContact CZ2-CG1 3.91Å; W247-V267 HydrophobicContact CZ2-CG2 4.41Å; W247-W291 HydrophobicContact CE3-CH2 4.2Å; W247-W291 HydrophobicContact CE3-CZ2 4.28Å; W247-W291 HydrophobicContact CZ3-CH2 4.37Å; W247-V312 HydrophobicContact CH2-CG1 4.49Å; W247-V312 HydrophobicContact CZ3-CG2 4.17Å
248L95.1Very high93Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-115.2122.1168.917964.3000109.6T199 A208 A216 L218 L230 L239 F241 W259 L261T199-L248 HydrophobicContact CG2-CD1 4.38Å; A208-L248 HydrophobicContact CB-CD1 3.95Å; A208-L248 HydrophobicContact CB-CD2 3.95Å; A216-L248 HydrophobicContact CB-CD2 4.46Å; L218-L248 HydrophobicContact CD1-CD2 3.9Å; L230-L248 HydrophobicContact CD1-CD2 4.22Å; L239-L248 HydrophobicContact CB-CD1 4.45Å; L239-L248 HydrophobicContact CD2-CD1 4.17Å; L239-L248 HydrophobicContact CD2-CD2 4.37Å; L239-L248 HydrophobicContact CD2-CG 4.31Å; F241-L248 HydrophobicContact CD1-CB 4.35Å; F241-L248 HydrophobicContact CD1-CD1 3.98Å; F241-L248 HydrophobicContact CD2-CD1 4.47Å; F241-L248 HydrophobicContact CE1-CB 4.34Å; F241-L248 HydrophobicContact CE1-CD1 3.94Å; F241-L248 HydrophobicContact CE2-CD1 4.44Å; F241-L248 HydrophobicContact CG-CD1 4.26Å; F241-L248 HydrophobicContact CZ-CD1 4.19Å; L248-W259 PolarHBondContact N-O 2.8Å; L248-W259 PolarHBondContact O-N 2.85Å; L248-L261 HydrophobicContact CB-CD1 4.22Å; L248-L261 HydrophobicContact CB-CD2 3.86Å; L248-L261 HydrophobicContact CB-CG 4.21Å; L248-L261 HydrophobicContact CD2-CD2 4.4Å
249C95Very high92.8Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-97.6129.4172.5-58.10000109.9L239 C240 I256 K257 L289 W291L239-C249 WeakPolarHBondContact CA-O 3.11Å; C240-C249 PolarHBondContact N-O 3.02Å; C240-C249 PolarHBondContact O-N 3.1Å; C249-I256 HydrophobicContact CB-CG2 4.46Å; C249-K257 WeakPolarHBondContact CA-O 3.23Å; C249-L289 HydrophobicContact CB-CD1 3.96Å; C249-W291 WeakPolarHBondContact SG-CZ2 3.4Å; C249-W291 PolarHBondContact SG-NE1 3.23Å; C249-W291 VanDerWaalsContact SG-NE1 3.38Å
250A95.5Very high92.7Very high0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-118.4123.8174.800000110L239 T252 I256 K257L239-A250 HydrophobicContact CD2-CB 3.55Å; A250-T252 HydrophobicContact CB-CG2 3.82Å; A250-T252 PolarHBondContact O-N 2.81Å; A250-I256 CarbonylContact O-C 3.54Å; A250-I256 WeakPolarHBondContact O-CA 3.26Å; A250-K257 PolarHBondContact N-O 3.14Å; A250-K257 PolarHBondContact O-N 2.68Å
251A94.1Very high92.4Very high0 Ų022.8 Ų22.80%011%0.113CC..EExtended strand (participates in β ladder)trans-82.6102.1169.700000108.6I236 N237 A238 C286 L289I236-A251 WeakPolarHBondContact CA-O 3.37Å; N237-A251 PolarHBondContact N-O 3.25Å; A238-A251 HydrophobicContact CB-CB 4.03Å; A238-A251 PolarHBondContact O-N 2.89Å; A251-C286 HydrophobicContact CB-CB 3.9Å; A251-L289 HydrophobicContact CB-CD1 3.78Å; A251-L289 HydrophobicContact CB-CD2 4.49Å; A251-L289 HydrophobicContact CB-CG 3.97Å
252T91.4Very high92.1Very high2 Ų229.7 Ų29.71%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-111.490.3-170.357.30000108.5S232 I236 A250 P254 S255 K257S232-T252 VanDerWaalsContact CB-CG2 3.43Å; I236-T252 HydrophobicContact CG1-CG2 4.2Å; A250-T252 HydrophobicContact CB-CG2 3.82Å; A250-T252 PolarHBondContact O-N 2.81Å; T252-P254 WeakPolarHBondContact O-CD 3.19Å; T252-P254 VanDerWaalsContact O-N 3.15Å; T252-S255 CarbonylContact C-O 3.55Å; T252-S255 PolarHBondContact N-O 3.17Å; T252-S255 PolarHBondContact O-N 3.36Å; T252-S255 VanDerWaalsContact O-N 3.1Å; T252-S255 VanDerWaalsContact O-O 3.14Å; T252-S255 PolarHBondContact O-OG 3.28Å; T252-S255 PolarHBondContact OG1-O 3.28Å; T252-S255 PolarHBondContact OG1-OG 3.27Å; T252-S255 VanDerWaalsContact OG1-OG 3.1Å; T252-K257 HydrophobicContact CG2-CD 4.43Å
253G86.8Confident91.6Very high2 Ų231.5 Ų31.52%0.02117%0.165CC..THydrogen-bonded Turntrans54.5-116.2-172.300000113.1N235 Q285 C286N235-G253 PolarHBondContact O-N 3.23Å; N235-G253 VanDerWaalsContact O-N 3.08Å; G253-Q285 CarbonylContact O-C 3.59Å; G253-Q285 WeakPolarHBondContact O-CA 3.49Å; G253-Q285 PolarHBondContact O-OE1 3.35Å; G253-C286 PolarHBondContact O-N 2.98Å
254P87.4Confident91.4Very high42 Ų4233.9 Ų33.927%0.27317%0.169SC..THydrogen-bonded Turntrans-83.5-15.9179.933.8-34.3000114.6T252 P283T252-P254 WeakPolarHBondContact O-CD 3.19Å; T252-P254 VanDerWaalsContact O-N 3.15Å; P254-P283 HydrophobicContact CB-CB 3.87Å; P254-P283 HydrophobicContact CB-CG 3.72Å; P254-P283 HydrophobicContact CG-CG 3.95Å
255S91.1Very high91.4Very high7 Ų735 Ų355%0.04917%0.174CC..EExtended strand (participates in β ladder)trans-105.4161.1-179.665.80000112.1T252 E269 L270T252-S255 CarbonylContact C-O 3.55Å; T252-S255 PolarHBondContact N-O 3.17Å; T252-S255 PolarHBondContact O-N 3.36Å; T252-S255 VanDerWaalsContact O-N 3.1Å; T252-S255 VanDerWaalsContact O-O 3.14Å; T252-S255 PolarHBondContact O-OG 3.28Å; T252-S255 PolarHBondContact OG1-O 3.28Å; T252-S255 PolarHBondContact OG1-OG 3.27Å; T252-S255 VanDerWaalsContact OG1-OG 3.1Å; S255-E269 WeakPolarHBondContact CB-OE1 3.37Å; S255-E269 PolarHBondContact OG-OE1 2.85Å; S255-L270 CarbonylContact C-O 3.53Å; S255-L270 VanDerWaalsContact CA-O 3.28Å; S255-L270 WeakPolarHBondContact CA-O 3.44Å; S255-L270 WeakPolarHBondContact CB-O 3.46Å
256I93.5Very high91.2Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-117.4117170.7-54.9162.7000107.2C249 A250 L270 C286 L289 L298 A300 Y302C249-I256 HydrophobicContact CB-CG2 4.46Å; A250-I256 CarbonylContact O-C 3.54Å; A250-I256 WeakPolarHBondContact O-CA 3.26Å; I256-L270 HydrophobicContact CB-CB 4.06Å; I256-L270 HydrophobicContact CB-CD1 4.19Å; I256-L270 HydrophobicContact CB-CG 4.25Å; I256-L270 HydrophobicContact CD1-CD1 4.42Å; I256-L270 HydrophobicContact CG2-CD1 4.36Å; I256-L270 PolarHBondContact N-O 3.17Å; I256-L270 PolarHBondContact O-N 3.25Å; I256-C286 HydrophobicContact CG1-CB 4.17Å; I256-L289 HydrophobicContact CD1-CD2 3.75Å; I256-L289 HydrophobicContact CG1-CD2 4.13Å; I256-L289 HydrophobicContact CG2-CD1 4.13Å; I256-L289 HydrophobicContact CG2-CD2 4.15Å; I256-L298 HydrophobicContact CG2-CD2 4.31Å; I256-A300 HydrophobicContact CD1-CB 3.52Å; I256-Y302 WeakPolarHBondContact CD1-OH 3.39Å
257K93.7Very high91Very high29 Ų2933.4 Ų33.413%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-93.7131.2175-72.4-177.9173.9-179.70109.9S232 C249 A250 T252 E269S232-K257 WeakPolarHBondContact O-CE 3.29Å; S232-K257 PolarHBondContact O-NZ 2.87Å; C249-K257 WeakPolarHBondContact CA-O 3.23Å; A250-K257 PolarHBondContact N-O 3.14Å; A250-K257 PolarHBondContact O-N 2.68Å; T252-K257 HydrophobicContact CG2-CD 4.43Å; K257-E269 HydrophobicContact CG-CG 4Å
258I93.5Very high90.6Very high0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-110.2120.5174.7-53.9-175.6000108M5 W247 I266 V267 D268 L270 L298M5-I258 HydrophobicContact CE-CD1 4.07Å; M5-I258 HydrophobicContact CG-CD1 3.59Å; W247-I258 HydrophobicContact CB-CG2 4.17Å; W247-I258 HydrophobicContact CD2-CG2 3.98Å; W247-I258 HydrophobicContact CE3-CG2 3.8Å; W247-I258 HydrophobicContact CG-CG2 4.18Å; W247-I258 HydrophobicContact CZ3-CG2 4.49Å; I258-I266 CarbonylContact O-C 3.53Å; I258-I266 WeakPolarHBondContact O-CA 3.49Å; I258-V267 HydrophobicContact CB-CB 4.4Å; I258-V267 HydrophobicContact CG2-CB 4.18Å; I258-V267 HydrophobicContact CG2-CG2 4.47Å; I258-V267 PolarHBondContact O-N 3.19Å; I258-D268 PolarHBondContact N-O 3.11Å; I258-L270 HydrophobicContact CD1-CD1 4.02Å; I258-L270 HydrophobicContact CD1-CG 4.36Å; I258-L298 HydrophobicContact CD1-CD2 4.47Å
259W93Very high90.3Very high24 Ų2437.1 Ų37.19%0.09120%0.196CC..EExtended strand (participates in β ladder)trans-106.5133.6178.7-6788.6000110.1L230 D231 W247 L248 I265 I266L230-W259 HydrophobicContact CB-CD2 4.43Å; L230-W259 HydrophobicContact CB-CZ2 4.48Å; L230-W259 HydrophobicContact CD1-CB 4.04Å; L230-W259 HydrophobicContact CD1-CD2 4.13Å; L230-W259 HydrophobicContact CD1-CE3 4.47Å; L230-W259 HydrophobicContact CD1-CG 3.93Å; L230-W259 HydrophobicContact CD2-CD2 4.27Å; L230-W259 HydrophobicContact CD2-CE3 3.86Å; L230-W259 HydrophobicContact CD2-CZ3 4.06Å; D231-W259 WeakPolarHBondContact O-CZ2 3.39Å; W247-W259 CarbonylContact C-O 3.5Å; W247-W259 WeakPolarHBondContact CA-O 3.43Å; L248-W259 PolarHBondContact N-O 2.8Å; L248-W259 PolarHBondContact O-N 2.85Å; W259-I265 WeakPolarHBondContact CA-O 3.34Å; W259-I266 HydrophobicContact CD2-CG1 3.9Å; W259-I266 HydrophobicContact CE3-CG1 3.7Å; W259-I266 HydrophobicContact CH2-CD1 3.64Å; W259-I266 HydrophobicContact CH2-CG1 3.33Å; W259-I266 HydrophobicContact CZ2-CD1 3.7Å; W259-I266 HydrophobicContact CZ2-CG1 3.51Å; W259-I266 HydrophobicContact CZ3-CD1 4.24Å; W259-I266 HydrophobicContact CZ3-CG1 3.43Å; W259-I266 VanDerWaalsContact CZ3-CG1 3.43Å
260D92.3Very high89.9Confident33 Ų3337.3 Ų37.318%0.17620%0.197CC..EExtended strand (participates in β ladder)trans-86.3120.516217621.4000108.4E262 K264 I265 V267D260-E262 VanDerWaalsContact C-N 3.34Å; D260-E262 PolarHBondContact OD1-N 3.14Å; D260-K264 WeakPolarHBondContact O-CA 3.16Å; D260-K264 PolarHBondContact O-N 3.36Å; D260-I265 HydrophobicContact CB-CG1 4.23Å; D260-I265 PolarHBondContact N-O 2.66Å; D260-I265 PolarHBondContact O-N 2.92Å; D260-V267 HydrophobicContact CB-CG2 3.55Å
261L89.9Confident89.3Confident6 Ų645.6 Ų45.63%0.03123%0.229CC..THydrogen-bonded Turntrans-80.2-18.2-173.6-60.5172.9000112.6L218 Y228 L230 F241 Y246 L248L218-L261 HydrophobicContact CD1-CD2 4.46Å; L218-L261 HydrophobicContact CD2-CD1 4.27Å; L218-L261 HydrophobicContact CD2-CD2 3.75Å; Y228-L261 PolarHBondContact OH-O 3.18Å; L230-L261 HydrophobicContact CD1-CD2 3.91Å; F241-L261 HydrophobicContact CD1-CD1 3.92Å; F241-L261 HydrophobicContact CE1-CD1 3.56Å; Y246-L261 HydrophobicContact CD1-CB 3.43Å; Y246-L261 VanDerWaalsContact CD1-CB 3.43Å; Y246-L261 HydrophobicContact CD1-CD1 4.49Å; Y246-L261 HydrophobicContact CD2-CD1 4.21Å; Y246-L261 HydrophobicContact CE1-CB 3.43Å; Y246-L261 VanDerWaalsContact CE1-CB 3.43Å; Y246-L261 HydrophobicContact CE1-CD1 4.43Å; Y246-L261 HydrophobicContact CE2-CD1 4.16Å; Y246-L261 HydrophobicContact CG-CB 4.02Å; Y246-L261 HydrophobicContact CG-CD1 4.37Å; Y246-L261 WeakPolarHBondContact O-CB 3.42Å; Y246-L261 WeakPolarHBondContact O-CG 3.48Å; Y246-L261 PolarHBondContact O-N 3.3Å; L248-L261 HydrophobicContact CB-CD1 4.22Å; L248-L261 HydrophobicContact CB-CD2 3.86Å; L248-L261 HydrophobicContact CB-CG 4.21Å; L248-L261 HydrophobicContact CD2-CD2 4.4Å
262E88.3Confident88.2Confident164 Ų16449.1 Ų49.177%0.76625%0.245SC*.THydrogen-bonded Turntrans-73.3-53.8174.7-173.2171.8-170.800109.9Y246 D260Y246-E262 HydrophobicContact CD1-CB 4.23Å; D260-E262 VanDerWaalsContact C-N 3.34Å; D260-E262 PolarHBondContact OD1-N 3.14Å
263G84.3Confident86.7Confident43 Ų4357.5 Ų57.544%0.44328%0.284SS..THydrogen-bonded Turntrans-80.4-15.317700000114.8I265G263-I265 PolarHBondContact O-N 2.95Å
264K88.1Confident85.4Confident110 Ų11060.8 Ų60.848%0.47830%0.303SS..THydrogen-bonded Turntrans53.732.5-168.9-53.7178.8-175.1-178.50112.6Y228 D260Y228-K264 HydrophobicContact CD2-CD 4.35Å; Y228-K264 HydrophobicContact CE1-CD 4.49Å; Y228-K264 HydrophobicContact CE2-CD 4.27Å; Y228-K264 HydrophobicContact CE2-CG 4.22Å; D260-K264 WeakPolarHBondContact O-CA 3.16Å; D260-K264 PolarHBondContact O-N 3.36Å
265I88.9Confident83.7Confident101 Ų10166.4 Ų66.452%0.51833%0.33SS..EExtended strand (participates in β ladder)trans-108.7152-178.357.3171.7000110.6W259 D260 G263 V267W259-I265 WeakPolarHBondContact CA-O 3.34Å; D260-I265 HydrophobicContact CB-CG1 4.23Å; D260-I265 PolarHBondContact N-O 2.66Å; D260-I265 PolarHBondContact O-N 2.92Å; G263-I265 PolarHBondContact O-N 2.95Å; I265-V267 PolarHBondContact O-N 3.14Å
266I88.1Confident81.7Confident75 Ų7568.6 Ų68.639%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-74118.8169.5-58.3176.5000107.3I258 W259 D268I258-I266 CarbonylContact O-C 3.53Å; I258-I266 WeakPolarHBondContact O-CA 3.49Å; W259-I266 HydrophobicContact CD2-CG1 3.9Å; W259-I266 HydrophobicContact CE3-CG1 3.7Å; W259-I266 HydrophobicContact CH2-CD1 3.64Å; W259-I266 HydrophobicContact CH2-CG1 3.33Å; W259-I266 HydrophobicContact CZ2-CD1 3.7Å; W259-I266 HydrophobicContact CZ2-CG1 3.51Å; W259-I266 HydrophobicContact CZ3-CD1 4.24Å; W259-I266 HydrophobicContact CZ3-CG1 3.43Å; W259-I266 VanDerWaalsContact CZ3-CG1 3.43Å; I266-D268 WeakPolarHBondContact CG2-O 3.38Å
267V86.9Confident79.6Confident46 Ų4675.6 Ų75.628%0.27939%0.388SS..EExtended strand (participates in β ladder)trans-74.2-48173.5178.90000109.4W247 I258 D260 I265W247-V267 HydrophobicContact CH2-CG1 4.18Å; W247-V267 HydrophobicContact CZ2-CG1 3.91Å; W247-V267 HydrophobicContact CZ2-CG2 4.41Å; I258-V267 HydrophobicContact CB-CB 4.4Å; I258-V267 HydrophobicContact CG2-CB 4.18Å; I258-V267 HydrophobicContact CG2-CG2 4.47Å; I258-V267 PolarHBondContact O-N 3.19Å; D260-V267 HydrophobicContact CB-CG2 3.55Å; I265-V267 PolarHBondContact O-N 3.14Å
268D85.5Confident77.7Confident36 Ų3679.4 Ų79.419%0.19341%0.409CS..EExtended strand (participates in β ladder)trans-155.7152.1-175.9-148.1-18.8000110.9M5 I258 I266 L270M5-D268 PolarHBondContact N-OD2 3.19Å; I258-D268 PolarHBondContact N-O 3.11Å; I266-D268 WeakPolarHBondContact CG2-O 3.38Å; D268-L270 HydrophobicContact CB-CD2 4Å
269E88.9Confident75.8Confident60 Ų6085.5 Ų85.528%0.2845%0.452SS..EExtended strand (participates in β ladder)trans-122.2102.6169.8-173.5177173.700109.2S255 K257 R271S255-E269 WeakPolarHBondContact CB-OE1 3.37Å; S255-E269 PolarHBondContact OG-OE1 2.85Å; K257-E269 HydrophobicContact CG-CG 4Å; E269-R271 HydrophobicContact CG-CG 4.36Å; E269-R271 PolarHBondContact O-N 3.39Å; E269-R271 VanDerWaalsContact O-N 3.16Å; E269-R271 IonicContact OE1-CZ 2.74Å; E269-R271 IonicContact OE1-NE 2.91Å; E269-R271 PolarHBondContact OE1-NE 2.79Å; E269-R271 IonicContact OE1-NH2 3.33Å; E269-R271 PolarHBondContact OE1-NH2 3.44Å; E269-R271 IonicContact OE2-NH2 3.95Å; E269-R271 PolarHBondContact OE2-NH2 2.82Å
270L86.1Confident74.1Confident4 Ų493.7 Ų93.72%0.02149%0.488CS..EExtended strand (participates in β ladder)trans-79.6107.3-176.2-41.6-176.6000108.6M5 S255 I256 I258 D268 L298 W310M5-L270 HydrophobicContact CB-CD1 4.09Å; M5-L270 HydrophobicContact CB-CD2 3.5Å; M5-L270 HydrophobicContact CB-CG 4.45Å; M5-L270 HydrophobicContact CG-CD1 4.34Å; M5-L270 HydrophobicContact CG-CD2 4.16Å; S255-L270 CarbonylContact C-O 3.53Å; S255-L270 VanDerWaalsContact CA-O 3.28Å; S255-L270 WeakPolarHBondContact CA-O 3.44Å; S255-L270 WeakPolarHBondContact CB-O 3.46Å; I256-L270 HydrophobicContact CB-CB 4.06Å; I256-L270 HydrophobicContact CB-CD1 4.19Å; I256-L270 HydrophobicContact CB-CG 4.25Å; I256-L270 HydrophobicContact CD1-CD1 4.42Å; I256-L270 HydrophobicContact CG2-CD1 4.36Å; I256-L270 PolarHBondContact N-O 3.17Å; I256-L270 PolarHBondContact O-N 3.25Å; I258-L270 HydrophobicContact CD1-CD1 4.02Å; I258-L270 HydrophobicContact CD1-CG 4.36Å; D268-L270 HydrophobicContact CB-CD2 4Å; L270-L298 HydrophobicContact CD1-CD2 4.23Å; L270-W310 HydrophobicContact CB-CD2 4.46Å; L270-W310 HydrophobicContact CB-CE3 4.37Å; L270-W310 HydrophobicContact CB-CH2 3.9Å; L270-W310 HydrophobicContact CB-CZ2 4Å; L270-W310 HydrophobicContact CB-CZ3 4.08Å; L270-W310 HydrophobicContact CD1-CB 4.37Å; L270-W310 HydrophobicContact CD1-CD2 3.77Å; L270-W310 HydrophobicContact CD1-CE3 4Å; L270-W310 HydrophobicContact CD1-CG 3.92Å; L270-W310 HydrophobicContact CD2-CE3 4.25Å; L270-W310 HydrophobicContact CD2-CZ3 4.26Å; L270-W310 HydrophobicContact CG-CE3 4.44Å
271R83.3Confident72.6Confident174 Ų17494.9 Ų94.966%0.65750%0.503SS*.  trans-116.3139.4169-69.1-178.6-176.5-176.55.2108.3E269E269-R271 HydrophobicContact CG-CG 4.36Å; E269-R271 PolarHBondContact O-N 3.39Å; E269-R271 VanDerWaalsContact O-N 3.16Å; E269-R271 IonicContact OE1-CZ 2.74Å; E269-R271 IonicContact OE1-NE 2.91Å; E269-R271 PolarHBondContact OE1-NE 2.79Å; E269-R271 IonicContact OE1-NH2 3.33Å; E269-R271 PolarHBondContact OE1-NH2 3.44Å; E269-R271 IonicContact OE2-NH2 3.95Å; E269-R271 PolarHBondContact OE2-NH2 2.82Å
272Q70.6Confident71.8Confident74 Ų74102.9 Ų102.935%0.34654%0.54SS..  trans-102.7134.9168.2-169.6157.7-000109.9V274Q272-V274 PolarHBondContact O-N 2.84Å
273E60.3Low71.6Confident177 Ų17797.9 Ų97.983%0.82752%0.522SS*.  trans-65.4104.6168.5-67.9-172.6171.500108.8I275E273-I275 PolarHBondContact O-N 3.4Å
274V59.4Low71.8Confident71 Ų7196.8 Ų96.843%0.4351%0.507SS..  trans-88.6101170.8179.40000105.5Q272 S276 P284Q272-V274 PolarHBondContact O-N 2.84Å; V274-S276 PolarHBondContact O-N 3.14Å; V274-P284 HydrophobicContact CG2-CG 3.79Å
275I51.8Low72Confident161 Ų16193.7 Ų93.783%0.82649%0.494SS*.  trans-71.580.3171-53.1172.9000107.1E273E273-I275 PolarHBondContact O-N 3.4Å
276S49Very low72.2Confident53 Ų5388.9 Ų88.937%0.37147%0.47SS..  trans-87.4125.7170.7174.70000108.8V274 N278V274-S276 PolarHBondContact O-N 3.14Å; S276-N278 PolarHBondContact O-N 3.4Å; S276-N278 PolarHBondContact OG-N 3.04Å; S276-N278 PolarHBondContact OG-O 3.27Å
277T48.6Very low72.5Confident147 Ų14786.7 Ų86.790%0.90246%0.46SS*.SBendtrans-70.3-4.8169.252.30000112.7
278N53.9Low72.9Confident108 Ų10884.5 Ų84.558%0.57845%0.447SS*.  trans-122.9113.3-175.1-119.7-23.9000110.6S276 K280 A281S276-N278 PolarHBondContact O-N 3.4Å; S276-N278 PolarHBondContact OG-N 3.04Å; S276-N278 PolarHBondContact OG-O 3.27Å; N278-K280 PolarHBondContact O-N 2.95Å; N278-A281 HydrophobicContact CB-CB 4.49Å; N278-A281 PolarHBondContact O-N 3.3Å
279S55.5Low73.4Confident129 Ų12983.2 Ų83.290%0.90244%0.439SS*.THydrogen-bonded Turntrans-66.7-5-179.756.90000114.8
280K55.4Low73.8Confident195 Ų19580.8 Ų80.885%0.84843%0.43SS*.THydrogen-bonded Turntrans-105.2-4178.1-71-172.9177.8-178.20114.7N278 E282N278-K280 PolarHBondContact O-N 2.95Å; K280-E282 PolarHBondContact O-N 2.97Å
281A62.3Low74.3Confident59 Ų5981.2 Ų81.249%0.48843%0.431SS..SBendtrans-79.5120.3178.300000109.5N278N278-A281 HydrophobicContact CB-CB 4.49Å; N278-A281 PolarHBondContact O-N 3.3Å
282E72.4Confident74.8Confident174 Ų17473.4 Ų73.481%0.81340%0.403SS*.PPolyproline II helixtrans-60.5136.9171.5-73.5-178.1170.200109.7K280K280-E282 PolarHBondContact O-N 2.97Å
283P84.1Confident75.7Confident58 Ų5872 Ų7238%0.37740%0.404SS..PPolyproline II helixtrans-62.4148178.325.6-33.2000110.5P254 Q285P254-P283 HydrophobicContact CB-CB 3.87Å; P254-P283 HydrophobicContact CB-CG 3.72Å; P254-P283 HydrophobicContact CG-CG 3.95Å; P283-Q285 PolarHBondContact O-N 3.29Å; P283-Q285 PolarHBondContact O-NE2 3.21Å
284P88.9Confident77.1Confident20 Ų2067.7 Ų67.713%0.1339%0.387CS..PPolyproline II helixtrans-60.1123.5176.426-34.2000110.3V274 Y302 T303 D304V274-P284 HydrophobicContact CG2-CG 3.79Å; P284-Y302 HydrophobicContact CB-CD1 4.39Å; P284-T303 WeakPolarHBondContact CA-OG1 3.37Å; P284-D304 HydrophobicContact CB-CB 3.94Å
285Q91.3Very high78.6Confident46 Ų4664.3 Ų64.322%0.21537%0.366CS..PPolyproline II helixtrans-80.2143.4179-50-67.6-60.200110.4G253 P283 Y302 T303G253-Q285 CarbonylContact O-C 3.59Å; G253-Q285 WeakPolarHBondContact O-CA 3.49Å; G253-Q285 PolarHBondContact O-OE1 3.35Å; P283-Q285 PolarHBondContact O-N 3.29Å; P283-Q285 PolarHBondContact O-NE2 3.21Å; Q285-Y302 WeakPolarHBondContact O-CA 3.21Å; Q285-T303 HydrophobicContact CB-CG2 3.98Å; Q285-T303 PolarHBondContact N-OG1 2.74Å; Q285-T303 PolarHBondContact O-N 2.74Å; Q285-T303 PolarHBondContact O-OG1 3.33Å
286C93.7Very high80.5Confident0 Ų059.5 Ų59.50%034%0.341CS..EExtended strand (participates in β ladder)trans-81.1122.8169.9-175.50000108.9N237 A251 G253 I256 Y302N237-C286 WeakPolarHBondContact CB-O 3.36Å; N237-C286 PolarHBondContact ND2-O 3.35Å; A251-C286 HydrophobicContact CB-CB 3.9Å; G253-C286 PolarHBondContact O-N 2.98Å; I256-C286 HydrophobicContact CG1-CB 4.17Å; C286-Y302 HydrophobicContact CB-CD1 4.16Å; C286-Y302 HydrophobicContact CB-CE1 3.8Å; C286-Y302 HydrophobicContact CB-CE2 4.47Å
287T94.5Very high82.7Confident29 Ų2957.2 Ų57.218%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-106.7-23.7-174.837.80000113.2V18 G301 T303V18-T287 PolarHBondContact O-OG1 3.49Å; T287-G301 PolarHBondContact N-O 2.85Å; T287-G301 PolarHBondContact OG1-O 2.9Å; T287-G301 VanDerWaalsContact OG1-O 3.11Å; T287-T303 HydrophobicContact CG2-CG2 3.6Å
288S95.7Very high84.9Confident0 Ų050.2 Ų50.20%028%0.281CS..EExtended strand (participates in β ladder)trans-148.3152.9-179.852.40000112.8V18 T19 Q20 A300 G301V18-S288 PolarHBondContact O-OG 2.77Å; T19-S288 WeakPolarHBondContact O-CB 3.42Å; Q20-S288 VanDerWaalsContact CA-CB 3.47Å; S288-A300 CarbonylContact O-C 3.57Å; S288-A300 WeakPolarHBondContact O-CA 3.24Å; S288-G301 PolarHBondContact N-O 2.86Å; S288-G301 PolarHBondContact O-N 3.33Å
289L96.6Very high86.9Confident8 Ų845.2 Ų45.24%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-136.3141.5178.4-64.5174.2000110.1A238 C240 C249 A251 I256 L298 F299 A300A238-L289 HydrophobicContact CB-CB 4.43Å; A238-L289 HydrophobicContact CB-CD1 4.5Å; A238-L289 HydrophobicContact CB-CG 4.24Å; C240-L289 HydrophobicContact CB-CB 4.45Å; C240-L289 VanDerWaalsContact SG-CB 3.53Å; C249-L289 HydrophobicContact CB-CD1 3.96Å; A251-L289 HydrophobicContact CB-CD1 3.78Å; A251-L289 HydrophobicContact CB-CD2 4.49Å; A251-L289 HydrophobicContact CB-CG 3.97Å; I256-L289 HydrophobicContact CD1-CD2 3.75Å; I256-L289 HydrophobicContact CG1-CD2 4.13Å; I256-L289 HydrophobicContact CG2-CD1 4.13Å; I256-L289 HydrophobicContact CG2-CD2 4.15Å; L289-L298 HydrophobicContact CB-CD1 4.43Å; L289-L298 HydrophobicContact CD2-CD1 4.37Å; L289-L298 HydrophobicContact CD2-CD2 4.49Å; L289-F299 CarbonylContact C-O 3.55Å; L289-F299 WeakPolarHBondContact CA-O 3.36Å; L289-A300 HydrophobicContact CD2-CB 3.7Å
290A96.4Very high88.8Confident9 Ų939.1 Ų39.17%0.07421%0.211CC..EExtended strand (participates in β ladder)trans-147.8132.9170.300000110.8I21 T23 F299I21-A290 HydrophobicContact CB-CB 3.84Å; I21-A290 HydrophobicContact CG2-CB 3.74Å; T23-A290 HydrophobicContact CG2-CB 4.07Å; A290-F299 PolarHBondContact N-O 2.95Å; A290-F299 WeakPolarHBondContact O-CD2 3.35Å; A290-F299 PolarHBondContact O-N 3.32Å
291W96.1Very high90.8Very high13 Ų1329.8 Ų29.85%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-83.4144.5171.4-79.4103.2000110.7M5 T23 P243 W247 C249 G295 L298 V312M5-W291 HydrophobicContact CE-CH2 3.47Å; M5-W291 VanDerWaalsContact CE-CH2 3.47Å; M5-W291 HydrophobicContact CE-CZ2 4.31Å; M5-W291 HydrophobicContact CE-CZ3 3.88Å; M5-W291 HydrophobicContact SD-CH2 4.37Å; T23-W291 WeakPolarHBondContact CB-O 3.45Å; T23-W291 VanDerWaalsContact CG2-O 3.31Å; T23-W291 WeakPolarHBondContact CG2-O 3.34Å; T23-W291 PolarHBondContact OG1-O 2.92Å; P243-W291 HydrophobicContact CG-CB 4.31Å; W247-W291 HydrophobicContact CE3-CH2 4.2Å; W247-W291 HydrophobicContact CE3-CZ2 4.28Å; W247-W291 HydrophobicContact CZ3-CH2 4.37Å; C249-W291 WeakPolarHBondContact SG-CZ2 3.4Å; C249-W291 PolarHBondContact SG-NE1 3.23Å; C249-W291 VanDerWaalsContact SG-NE1 3.38Å; W291-G295 VanDerWaalsContact CZ3-O 3.25Å; W291-G295 WeakPolarHBondContact CZ3-O 3.49Å; W291-L298 HydrophobicContact CD2-CB 4.35Å; W291-L298 HydrophobicContact CD2-CD1 3.95Å; W291-L298 HydrophobicContact CE3-CB 4.08Å; W291-L298 HydrophobicContact CG-CD1 4.16Å; W291-L298 HydrophobicContact CH2-CB 4.18Å; W291-L298 HydrophobicContact CZ2-CB 4.43Å; W291-L298 HydrophobicContact CZ2-CD1 4.37Å; W291-L298 HydrophobicContact CZ3-CB 3.98Å; W291-V312 HydrophobicContact CH2-CG2 4.28Å; W291-V312 HydrophobicContact CZ3-CG2 4.21Å
292S94.4Very high92.3Very high11 Ų1127.2 Ų27.28%0.07715%0.149CC..  trans-62.6156.516254.80000110.4P243 D294 G295 Q296 T297P243-S292 WeakPolarHBondContact CG-O 3.14Å; S292-D294 VanDerWaalsContact CB-OD1 3.26Å; S292-D294 WeakPolarHBondContact CB-OD1 3.41Å; S292-D294 PolarHBondContact O-N 2.81Å; S292-D294 PolarHBondContact OG-OD1 2.94Å; S292-G295 PolarHBondContact O-N 3.4Å; S292-Q296 PolarHBondContact OG-N 3.04Å; S292-T297 PolarHBondContact N-O 2.84Å; S292-T297 WeakPolarHBondContact OG-CA 3.43Å; S292-T297 WeakPolarHBondContact OG-CB 3.3Å; S292-T297 PolarHBondContact OG-N 2.95Å; S292-T297 PolarHBondContact OG-O 3.41Å; S292-T297 VanDerWaalsContact OG-O 3.05Å
293A89.6Confident93.3Very high44 Ų4419.9 Ų19.936%0.36412%0.116SC..THydrogen-bonded Turntrans-61.5-29-178.100000113.7P25 G295P25-A293 VanDerWaalsContact CA-CB 3.48Å; P25-A293 HydrophobicContact CB-CB 3.89Å; P25-A293 HydrophobicContact CG-CB 4.09Å; A293-G295 VanDerWaalsContact C-N 3.29Å
294D89.8Confident93.7Very high86 Ų8619.6 Ų19.646%0.4611%0.111SC..THydrogen-bonded Turntrans-80.7-6.8175.166.8-1.4000113.8N244 S292 Q296N244-D294 PolarHBondContact ND2-O 2.72Å; S292-D294 VanDerWaalsContact CB-OD1 3.26Å; S292-D294 WeakPolarHBondContact CB-OD1 3.41Å; S292-D294 PolarHBondContact O-N 2.81Å; S292-D294 PolarHBondContact OG-OD1 2.94Å; D294-Q296 HydrophobicContact CB-CG 4.44Å; D294-Q296 PolarHBondContact O-N 3.33Å; D294-Q296 PolarHBondContact OD1-N 2.84Å
295G91.3Very high93.9Very high0 Ų021.1 Ų21.10%012%0.118CC..SBendtrans64.317.4-176.700000114.8R245 W291 S292 A293R245-G295 PolarHBondContact NH1-O 2.89Å; W291-G295 VanDerWaalsContact CZ3-O 3.25Å; W291-G295 WeakPolarHBondContact CZ3-O 3.49Å; S292-G295 PolarHBondContact O-N 3.4Å; A293-G295 VanDerWaalsContact C-N 3.29Å
296Q92Very high94Very high61 Ų6120.5 Ų20.529%0.28512%0.116SC..SBendtrans-96.7-20.9178.6-61.1-58.7-17.700113.4S292 D294 Q311 V312S292-Q296 PolarHBondContact OG-N 3.04Å; D294-Q296 HydrophobicContact CB-CG 4.44Å; D294-Q296 PolarHBondContact O-N 3.33Å; D294-Q296 PolarHBondContact OD1-N 2.84Å; Q296-Q311 WeakPolarHBondContact O-CA 3.42Å; Q296-Q311 WeakPolarHBondContact O-CG 3.4Å; Q296-V312 PolarHBondContact O-N 3.19Å
297T93.6Very high94.1Very high4 Ų420.5 Ų20.53%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-121.6128.8-176.7-51.50000110S292 F299 V309 W310S292-T297 PolarHBondContact N-O 2.84Å; S292-T297 WeakPolarHBondContact OG-CA 3.43Å; S292-T297 WeakPolarHBondContact OG-CB 3.3Å; S292-T297 PolarHBondContact OG-N 2.95Å; S292-T297 PolarHBondContact OG-O 3.41Å; S292-T297 VanDerWaalsContact OG-O 3.05Å; T297-F299 HydrophobicContact CG2-CD1 4.5Å; T297-F299 HydrophobicContact CG2-CE1 3.91Å; T297-F299 HydrophobicContact CG2-CE2 3.98Å; T297-F299 HydrophobicContact CG2-CZ 3.61Å; T297-V309 HydrophobicContact CG2-CG1 3.25Å; T297-W310 CarbonylContact C-O 3.51Å; T297-W310 WeakPolarHBondContact CA-O 3.39Å
298L95.5Very high94Very high0 Ų019.7 Ų19.70%011%0.11CC..EExtended strand (participates in β ladder)trans-107.5121172.9178.566.7000109.3M5 I256 I258 L270 L289 W291 W310M5-L298 HydrophobicContact CE-CB 3.38Å; M5-L298 HydrophobicContact CE-CD2 3.87Å; M5-L298 HydrophobicContact CE-CG 4.28Å; I256-L298 HydrophobicContact CG2-CD2 4.31Å; I258-L298 HydrophobicContact CD1-CD2 4.47Å; L270-L298 HydrophobicContact CD1-CD2 4.23Å; L289-L298 HydrophobicContact CB-CD1 4.43Å; L289-L298 HydrophobicContact CD2-CD1 4.37Å; L289-L298 HydrophobicContact CD2-CD2 4.49Å; W291-L298 HydrophobicContact CD2-CB 4.35Å; W291-L298 HydrophobicContact CD2-CD1 3.95Å; W291-L298 HydrophobicContact CE3-CB 4.08Å; W291-L298 HydrophobicContact CG-CD1 4.16Å; W291-L298 HydrophobicContact CH2-CB 4.18Å; W291-L298 HydrophobicContact CZ2-CB 4.43Å; W291-L298 HydrophobicContact CZ2-CD1 4.37Å; W291-L298 HydrophobicContact CZ3-CB 3.98Å; L298-W310 HydrophobicContact CB-CB 4.3Å; L298-W310 PolarHBondContact N-O 3.39Å; L298-W310 PolarHBondContact O-N 3.24Å
299F95.9Very high93.9Very high4 Ų419.7 Ų19.72%0.01811%0.11CC..EExtended strand (participates in β ladder)trans-94.9130.2172.8-56.9-80.2000109.3I21 T23 I31 L45 Y52 L289 A290 T297 I307 V309I21-F299 HydrophobicContact CD1-CB 3.96Å; I21-F299 HydrophobicContact CG2-CB 4.02Å; T23-F299 HydrophobicContact CG2-CD2 3.85Å; T23-F299 HydrophobicContact CG2-CE2 4Å; I31-F299 HydrophobicContact CD1-CD1 3.95Å; I31-F299 HydrophobicContact CD1-CE1 4.13Å; I31-F299 HydrophobicContact CD1-CG 4.45Å; I31-F299 HydrophobicContact CG2-CD2 4.44Å; I31-F299 HydrophobicContact CG2-CE1 4.38Å; I31-F299 HydrophobicContact CG2-CE2 4.01Å; I31-F299 HydrophobicContact CG2-CZ 4Å; L45-F299 HydrophobicContact CD1-CE1 4.07Å; L45-F299 HydrophobicContact CD1-CZ 3.64Å; L45-F299 HydrophobicContact CD2-CE1 4.28Å; Y52-F299 HydrophobicContact CD1-CE1 4.47Å; Y52-F299 AromaticContact CE1-CE1 3.86Å; Y52-F299 HydrophobicContact CE1-CE1 3.86Å; Y52-F299 HydrophobicContact CE1-CZ 4.32Å; L289-F299 CarbonylContact C-O 3.55Å; L289-F299 WeakPolarHBondContact CA-O 3.36Å; A290-F299 PolarHBondContact N-O 2.95Å; A290-F299 WeakPolarHBondContact O-CD2 3.35Å; A290-F299 PolarHBondContact O-N 3.32Å; T297-F299 HydrophobicContact CG2-CD1 4.5Å; T297-F299 HydrophobicContact CG2-CE1 3.91Å; T297-F299 HydrophobicContact CG2-CE2 3.98Å; T297-F299 HydrophobicContact CG2-CZ 3.61Å; F299-I307 HydrophobicContact CB-CG2 4.38Å; F299-V309 HydrophobicContact CD1-CB 4.45Å; F299-V309 HydrophobicContact CD1-CG1 4.01Å; F299-V309 HydrophobicContact CD1-CG2 3.83Å; F299-V309 HydrophobicContact CE1-CG1 3.76Å; F299-V309 HydrophobicContact CE1-CG2 3.99Å
300A96.2Very high93.8Very high0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-128123.2-179.600000110.5I256 S288 L289 Y302 I307 R308I256-A300 HydrophobicContact CD1-CB 3.52Å; S288-A300 CarbonylContact O-C 3.57Å; S288-A300 WeakPolarHBondContact O-CA 3.24Å; L289-A300 HydrophobicContact CD2-CB 3.7Å; A300-Y302 HydrophobicContact CB-CD2 4.34Å; A300-Y302 HydrophobicContact CB-CE2 3.5Å; A300-Y302 VanDerWaalsContact O-CD2 3.31Å; A300-Y302 WeakPolarHBondContact O-CD2 3.17Å; A300-Y302 WeakPolarHBondContact O-CE2 3.49Å; A300-I307 CarbonylContact O-C 3.55Å; A300-I307 WeakPolarHBondContact O-CA 3.46Å; A300-R308 PolarHBondContact N-O 2.84Å; A300-R308 PolarHBondContact O-N 2.68Å
301G95.8Very high93.5Very high0 Ų021.9 Ų21.90%012%0.118CC..EExtended strand (participates in β ladder)trans-94.7136.4178.800000110.9T287 S288T287-G301 PolarHBondContact N-O 2.85Å; T287-G301 PolarHBondContact OG1-O 2.9Å; T287-G301 VanDerWaalsContact OG1-O 3.11Å; S288-G301 PolarHBondContact N-O 2.86Å; S288-G301 PolarHBondContact O-N 3.33Å
302Y95.1Very high93.3Very high4 Ų421.9 Ų21.92%0.01612%0.119CC..EExtended strand (participates in β ladder)trans-123.3165-173.6-72.9-104.4000113.4V18 I256 P284 Q285 C286 A300 D304 N305 L306 R308V18-Y302 PolarHBondContact N-O 2.89Å; V18-Y302 VanDerWaalsContact N-O 3.15Å; I256-Y302 WeakPolarHBondContact CD1-OH 3.39Å; P284-Y302 HydrophobicContact CB-CD1 4.39Å; Q285-Y302 WeakPolarHBondContact O-CA 3.21Å; C286-Y302 HydrophobicContact CB-CD1 4.16Å; C286-Y302 HydrophobicContact CB-CE1 3.8Å; C286-Y302 HydrophobicContact CB-CE2 4.47Å; A300-Y302 HydrophobicContact CB-CD2 4.34Å; A300-Y302 HydrophobicContact CB-CE2 3.5Å; A300-Y302 VanDerWaalsContact O-CD2 3.31Å; A300-Y302 WeakPolarHBondContact O-CD2 3.17Å; A300-Y302 WeakPolarHBondContact O-CE2 3.49Å; Y302-D304 VanDerWaalsContact C-N 3.27Å; Y302-D304 WeakPolarHBondContact CB-OD1 3.31Å; Y302-D304 PolarHBondContact O-N 2.91Å; Y302-N305 PolarHBondContact O-N 2.79Å; Y302-L306 PolarHBondContact N-O 3.28Å; Y302-R308 HydrophobicContact CD2-CB 4.26Å; Y302-R308 HydrophobicContact CD2-CG 3.9Å; Y302-R308 HydrophobicContact CE2-CB 3.8Å; Y302-R308 HydrophobicContact CE2-CG 3.79Å
303T93.6Very high92.9Very high20 Ų2023 Ų2312%0.12313%0.126CC..THydrogen-bonded Turntrans-73.1-10.1176.1520000114.7W17 P284 Q285 T287 N305W17-T303 HydrophobicContact CD2-CG2 3.61Å; W17-T303 HydrophobicContact CE3-CG2 3.58Å; W17-T303 HydrophobicContact CG-CG2 4.11Å; W17-T303 HydrophobicContact CH2-CG2 4.13Å; W17-T303 HydrophobicContact CZ2-CG2 4.15Å; W17-T303 HydrophobicContact CZ3-CG2 3.85Å; W17-T303 PolarHBondContact NE1-O 2.76Å; P284-T303 WeakPolarHBondContact CA-OG1 3.37Å; Q285-T303 HydrophobicContact CB-CG2 3.98Å; Q285-T303 PolarHBondContact N-OG1 2.74Å; Q285-T303 PolarHBondContact O-N 2.74Å; Q285-T303 PolarHBondContact O-OG1 3.33Å; T287-T303 HydrophobicContact CG2-CG2 3.6Å; T303-N305 PolarHBondContact O-N 3.12Å
304D92.1Very high92.4Very high53 Ų5325.8 Ų25.828%0.28313%0.133SC..THydrogen-bonded Turntrans-91.418.717265.7-15.5000113.1P284 Y302 L306 R308P284-D304 HydrophobicContact CB-CB 3.94Å; Y302-D304 VanDerWaalsContact C-N 3.27Å; Y302-D304 WeakPolarHBondContact CB-OD1 3.31Å; Y302-D304 PolarHBondContact O-N 2.91Å; D304-L306 PolarHBondContact O-N 2.96Å; D304-L306 PolarHBondContact OD1-N 3.28Å; D304-R308 IonicContact OD1-CZ 2.64Å; D304-R308 IonicContact OD1-NH1 3.91Å; D304-R308 PolarHBondContact OD1-NH1 3.33Å; D304-R308 IonicContact OD1-NH2 3.64Å; D304-R308 IonicContact OD2-CZ 2.75Å; D304-R308 VanDerWaalsContact OD2-CZ 3.31Å; D304-R308 IonicContact OD2-NH1 3.37Å; D304-R308 PolarHBondContact OD2-NH1 3.12Å; D304-R308 VanDerWaalsContact OD2-NH1 3.12Å; D304-R308 IonicContact OD2-NH2 3.54Å; D304-R308 PolarHBondContact OD2-NH2 3.46Å
305N93.2Very high91Very high51 Ų5123 Ų2327%0.27312%0.124SC..SBendtrans69.712.6176.9-37.9-35000114.2H14 G16 W17 Y302 T303H14-N305 HydrophobicContact CB-CB 4.35Å; H14-N305 WeakPolarHBondContact O-CB 3.47Å; G16-N305 WeakPolarHBondContact CA-OD1 3.18Å; G16-N305 PolarHBondContact N-OD1 3.14Å; G16-N305 WeakPolarHBondContact O-CA 3.45Å; G16-N305 WeakPolarHBondContact O-CB 3.37Å; G16-N305 PolarHBondContact O-OD1 3.22Å; W17-N305 PolarHBondContact N-OD1 2.72Å; Y302-N305 PolarHBondContact O-N 2.79Å; T303-N305 PolarHBondContact O-N 3.12Å
306L93.4Very high89.1Confident33 Ų3329.4 Ų29.417%0.17316%0.164CC..EExtended strand (participates in β ladder)trans-103.3147.9179.8-59.9-174.9000111.7K12 Y302 D304K12-L306 HydrophobicContact CB-CD2 4.07Å; K12-L306 HydrophobicContact CD-CD2 3.94Å; K12-L306 HydrophobicContact CG-CD2 3.62Å; Y302-L306 PolarHBondContact N-O 3.28Å; D304-L306 PolarHBondContact O-N 2.96Å; D304-L306 PolarHBondContact OD1-N 3.28Å
307I94.9Very high86.9Confident0 Ų041.5 Ų41.50%021%0.207CC..EExtended strand (participates in β ladder)trans-102.6127.7161.4-54.3171.5000107T10 L11 V18 I21 W43 F299 A300T10-I307 CarbonylContact C-O 3.56Å; T10-I307 VanDerWaalsContact CA-O 3.26Å; T10-I307 WeakPolarHBondContact CA-O 3.5Å; L11-I307 HydrophobicContact CB-CB 4.06Å; L11-I307 HydrophobicContact CD1-CB 4.16Å; L11-I307 HydrophobicContact CD1-CD1 4.28Å; L11-I307 HydrophobicContact CD1-CG2 4.09Å; L11-I307 HydrophobicContact CG-CB 4.39Å; L11-I307 PolarHBondContact N-O 2.87Å; L11-I307 PolarHBondContact O-N 3.47Å; L11-I307 VanDerWaalsContact O-N 3.17Å; V18-I307 HydrophobicContact CB-CG1 4.48Å; V18-I307 HydrophobicContact CG1-CD1 4.37Å; V18-I307 HydrophobicContact CG1-CG1 4.04Å; V18-I307 HydrophobicContact CG2-CG1 3.93Å; I21-I307 HydrophobicContact CD1-CD1 4.39Å; I21-I307 HydrophobicContact CD1-CG1 4.23Å; I21-I307 HydrophobicContact CD1-CG2 3.63Å; W43-I307 HydrophobicContact CZ2-CD1 4.07Å; F299-I307 HydrophobicContact CB-CG2 4.38Å; A300-I307 CarbonylContact O-C 3.55Å; A300-I307 WeakPolarHBondContact O-CA 3.46Å
308R93.4Very high86.6Confident13 Ų1343.4 Ų43.45%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-106.1140.8176.6-61.4175.2166.176.3-1.1108.9T10 A300 Y302 D304T10-R308 HydrophobicContact CG2-CG 4.13Å; A300-R308 PolarHBondContact N-O 2.84Å; A300-R308 PolarHBondContact O-N 2.68Å; Y302-R308 HydrophobicContact CD2-CB 4.26Å; Y302-R308 HydrophobicContact CD2-CG 3.9Å; Y302-R308 HydrophobicContact CE2-CB 3.8Å; Y302-R308 HydrophobicContact CE2-CG 3.79Å; D304-R308 IonicContact OD1-CZ 2.64Å; D304-R308 IonicContact OD1-NH1 3.91Å; D304-R308 PolarHBondContact OD1-NH1 3.33Å; D304-R308 IonicContact OD1-NH2 3.64Å; D304-R308 IonicContact OD2-CZ 2.75Å; D304-R308 VanDerWaalsContact OD2-CZ 3.31Å; D304-R308 IonicContact OD2-NH1 3.37Å; D304-R308 PolarHBondContact OD2-NH1 3.12Å; D304-R308 VanDerWaalsContact OD2-NH1 3.12Å; D304-R308 IonicContact OD2-NH2 3.54Å; D304-R308 PolarHBondContact OD2-NH2 3.46Å
309V93.9Very high86.1Confident0 Ų045.6 Ų45.60%023%0.227CC..EExtended strand (participates in β ladder)trans-116.7119.5-175.4-169.40000108.8R8 G9 L11 Y52 T297 F299R8-V309 PolarHBondContact N-O 3.34Å; G9-V309 PolarHBondContact O-N 3.21Å; L11-V309 HydrophobicContact CD1-CG2 4.43Å; L11-V309 HydrophobicContact CG-CG2 4.29Å; Y52-V309 HydrophobicContact CD1-CB 4.22Å; Y52-V309 HydrophobicContact CD1-CG1 3.97Å; Y52-V309 HydrophobicContact CD1-CG2 3.75Å; Y52-V309 HydrophobicContact CD2-CB 4.43Å; Y52-V309 HydrophobicContact CD2-CG1 4.2Å; Y52-V309 HydrophobicContact CE1-CB 4.41Å; Y52-V309 HydrophobicContact CE1-CG1 3.67Å; Y52-V309 HydrophobicContact CE1-CG2 4.22Å; Y52-V309 HydrophobicContact CE2-CG1 3.89Å; Y52-V309 HydrophobicContact CG-CB 4.24Å; Y52-V309 HydrophobicContact CG-CG1 4.24Å; Y52-V309 HydrophobicContact CG-CG2 4.04Å; T297-V309 HydrophobicContact CG2-CG1 3.25Å; F299-V309 HydrophobicContact CD1-CB 4.45Å; F299-V309 HydrophobicContact CD1-CG1 4.01Å; F299-V309 HydrophobicContact CD1-CG2 3.83Å; F299-V309 HydrophobicContact CE1-CG1 3.76Å; F299-V309 HydrophobicContact CE1-CG2 3.99Å
310W92.9Very high85.6Confident13 Ų1347.9 Ų47.95%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-109.2139.8176.9-58.387.9000108.7M5 T6 V7 L270 T297 L298M5-W310 HydrophobicContact CB-CE3 4.37Å; M5-W310 HydrophobicContact CE-CB 3.99Å; T6-W310 CarbonylContact O-C 3.59Å; T6-W310 WeakPolarHBondContact O-CA 3.39Å; V7-W310 HydrophobicContact CB-CE3 4.38Å; V7-W310 HydrophobicContact CB-CZ3 4.34Å; V7-W310 HydrophobicContact CG2-CD2 4Å; V7-W310 HydrophobicContact CG2-CE3 3.54Å; V7-W310 HydrophobicContact CG2-CH2 3.22Å; V7-W310 HydrophobicContact CG2-CZ2 3.69Å; V7-W310 HydrophobicContact CG2-CZ3 3.15Å; L270-W310 HydrophobicContact CB-CD2 4.46Å; L270-W310 HydrophobicContact CB-CE3 4.37Å; L270-W310 HydrophobicContact CB-CH2 3.9Å; L270-W310 HydrophobicContact CB-CZ2 4Å; L270-W310 HydrophobicContact CB-CZ3 4.08Å; L270-W310 HydrophobicContact CD1-CB 4.37Å; L270-W310 HydrophobicContact CD1-CD2 3.77Å; L270-W310 HydrophobicContact CD1-CE3 4Å; L270-W310 HydrophobicContact CD1-CG 3.92Å; L270-W310 HydrophobicContact CD2-CE3 4.25Å; L270-W310 HydrophobicContact CD2-CZ3 4.26Å; L270-W310 HydrophobicContact CG-CE3 4.44Å; T297-W310 CarbonylContact C-O 3.51Å; T297-W310 WeakPolarHBondContact CA-O 3.39Å; L298-W310 HydrophobicContact CB-CB 4.3Å; L298-W310 PolarHBondContact N-O 3.39Å; L298-W310 PolarHBondContact O-N 3.24Å
311Q91.4Very high84.9Confident50 Ų5050.8 Ų50.823%0.23425%0.253CS..EExtended strand (participates in β ladder)trans-125141.2176.2-164.2177.220.800110.3M5 T6 R8 Q296 T313M5-Q311 WeakPolarHBondContact CA-O 3.43Å; T6-Q311 PolarHBondContact N-O 3.26Å; T6-Q311 PolarHBondContact O-N 3.31Å; R8-Q311 HydrophobicContact CG-CB 3.44Å; R8-Q311 VanDerWaalsContact CG-CB 3.44Å; R8-Q311 HydrophobicContact CG-CG 4.46Å; Q296-Q311 WeakPolarHBondContact O-CA 3.42Å; Q296-Q311 WeakPolarHBondContact O-CG 3.4Å; Q311-T313 PolarHBondContact O-N 2.82Å
312V90.8Very high84.3Confident13 Ų1353.9 Ų53.98%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-66.4128.7173.4-174.70000108.4E3 M5 W247 W291 Q296E3-V312 HydrophobicContact CB-CG1 3.95Å; E3-V312 HydrophobicContact CG-CG1 4.24Å; M5-V312 HydrophobicContact CE-CG2 4.31Å; M5-V312 HydrophobicContact SD-CB 4.07Å; M5-V312 HydrophobicContact SD-CG2 3.39Å; M5-V312 WeakPolarHBondContact SD-CG2 3.49Å; W247-V312 HydrophobicContact CH2-CG1 4.49Å; W247-V312 HydrophobicContact CZ3-CG2 4.17Å; W291-V312 HydrophobicContact CH2-CG2 4.28Å; W291-V312 HydrophobicContact CZ3-CG2 4.21Å; Q296-V312 PolarHBondContact O-N 3.19Å
313T85.9Confident83.5Confident35 Ų3557.3 Ų57.322%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-125.3138.8174.544.70000109Q4 T6 Q311Q4-T313 PolarHBondContact N-O 3.37Å; Q4-T313 PolarHBondContact O-N 2.65Å; Q4-T313 VanDerWaalsContact O-O 3.13Å; Q4-T313 PolarHBondContact O-OG1 3.19Å; T6-T313 HydrophobicContact CG2-CG2 4.35Å; T6-T313 WeakPolarHBondContact CG2-OG1 3.36Å; T6-T313 WeakPolarHBondContact OG1-CG2 3.3Å; T6-T313 PolarHBondContact OG1-OG1 2.78Å; Q311-T313 PolarHBondContact O-N 2.82Å
314I79Confident82.8Confident102 Ų10259.9 Ų59.952%0.52330%0.297SS..EExtended strand (participates in β ladder)trans-88.5113.2176.5-58.6172.9000106.7M1 T316M1-I314 HydrophobicContact CB-CG2 3.91Å; M1-I314 HydrophobicContact CG-CG2 4.22Å; M1-I314 HydrophobicContact SD-CG2 3.81Å; I314-T316 PolarHBondContact O-N 3.17Å; I314-T316 VanDerWaalsContact O-N 3.15Å
315G61.9Low82.1Confident26 Ų2660.5 Ų60.527%0.26830%0.298SS..  trans-66.9111170.400000109.6T2 R317T2-G315 PolarHBondContact O-N 3.46Å; G315-R317 PolarHBondContact O-N 2.82Å
316T50.3Low81.2Confident135 Ų13561.3 Ų61.383%0.82830%0.301SS*.  trans-73.6113.4161.950.30000107.1I314I314-T316 PolarHBondContact O-N 3.17Å; I314-T316 VanDerWaalsContact O-N 3.15Å
317R46.4Very low80.1Confident315 Ų31563.8 Ų63.8100%1.18931%0.312SS*.  trans-63.70161.7-97.2-173.8177-179.2-0.7109.9G315G315-R317 PolarHBondContact O-N 2.82Å

Retrieved 317 of 317 residues in 3106.5 ms (Link to these results)

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