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Ribonuclease J 1

An RNase that has 5'-3' exonuclease and endonuclease activity, with the exonuclease activity probably being most important in vivo. Involved in maturation of 16S rRNA, rnpB (the RNA component of RNase P) maturation and degradation, and mRNA maturation and/or decay. This subunit has the exonuclease activity.

AlphaFold DB , UniProt , Accession Q2FZG9, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rnj1, Length 565 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
1M41.8Very low86.3Confident238 Ų23871.5 Ų71.5100%1.17236%0.355SS*.  0137.40-74.4174.7-17400107.4Q3M1-Q3 PolarHBondContact O-N 3.41Å
2K58.8Low87.3Confident181 Ų18165.7 Ų65.779%0.78733%0.326SS*.  trans-59.7128.8168.3-78.8-173.9174.4-175.30107.5L4K2-L4 VanDerWaalsContact C-N 3.29Å
3Q82.4Confident88.2Confident59 Ų5960.6 Ų60.628%0.27630%0.301SS..SBendtrans-65.3-37.7-179.2-75.7176.2-2.700111.3M1 R430 A432 R434M1-Q3 PolarHBondContact O-N 3.41Å; Q3-R430 PolarHBondContact O-NH2 3.17Å; Q3-A432 WeakPolarHBondContact O-CB 3.21Å; Q3-R434 PolarHBondContact NE2-O 3.2Å
4L93.1Very high88.9Confident26 Ų2656.4 Ų56.414%0.13628%0.28CS..SBendtrans-107.6135.5178.9-62167.5000111.1K2 E8 E28 V421 A423K2-L4 VanDerWaalsContact C-N 3.29Å; L4-E8 HydrophobicContact CD2-CB 4.23Å; L4-E28 HydrophobicContact CD1-CB 4.13Å; L4-E28 HydrophobicContact CD1-CG 4.02Å; L4-V421 HydrophobicContact CD2-CG1 3.99Å; L4-V421 HydrophobicContact CG-CG1 4.45Å; L4-A423 HydrophobicContact CD2-CB 3.76Å
5H93.8Very high89.6Confident99 Ų9952.7 Ų52.746%0.45826%0.262SS..  trans-75.9158.5165.8-61.3-48.3000110.6N7 E8 R430H5-N7 PolarHBondContact O-N 3.2Å; H5-E8 HydrophobicContact CB-CG 4Å; H5-E8 IonicContact CD2-OE1 3.1Å; H5-E8 PolarHBondContact CD2-OE1 3.22Å; H5-E8 VanDerWaalsContact CD2-OE1 3.24Å; H5-E8 IonicContact CD2-OE2 3.69Å; H5-E8 IonicContact CG-OE2 3.3Å; H5-E8 PolarHBondContact N-OE2 2.95Å; H5-E8 PolarHBondContact O-N 2.95Å; H5-R430 PolarHBondContact CD2-NH2 2.78Å; H5-R430 PolarHBondContact NE2-NH2 2.88Å
6P91.7Very high90.1Very high93 Ų9349.4 Ų49.460%0.60425%0.245SC*.THydrogen-bonded Turntrans-60.8-20.5-174.7-25.235.2000115.5K30P6-K30 WeakPolarHBondContact O-CE 3.18Å; P6-K30 VanDerWaalsContact O-CG 3.28Å; P6-K30 WeakPolarHBondContact O-CG 3.38Å
7N93.7Very high90.6Very high81 Ų8146.8 Ų46.843%0.43323%0.233SC..THydrogen-bonded Turntrans-10414.9178.365.5-44.4000112.6H5 E156H5-N7 PolarHBondContact O-N 3.2Å; N7-E156 WeakPolarHBondContact O-CG 3.21Å
8E97.8Very high90.9Very high9 Ų946.2 Ų46.24%0.04224%0.241CC..  trans-107.4136.6178.5-69.5175.2159.200110.9L4 H5 Y29 A423 L424 T425 R430L4-E8 HydrophobicContact CD2-CB 4.23Å; H5-E8 HydrophobicContact CB-CG 4Å; H5-E8 IonicContact CD2-OE1 3.1Å; H5-E8 PolarHBondContact CD2-OE1 3.22Å; H5-E8 VanDerWaalsContact CD2-OE1 3.24Å; H5-E8 IonicContact CD2-OE2 3.69Å; H5-E8 IonicContact CG-OE2 3.3Å; H5-E8 PolarHBondContact N-OE2 2.95Å; H5-E8 PolarHBondContact O-N 2.95Å; E8-Y29 WeakPolarHBondContact O-CD2 3.23Å; E8-A423 HydrophobicContact CB-CB 4.2Å; E8-A423 HydrophobicContact CG-CB 4.24Å; E8-L424 CarbonylContact C-O 3.55Å; E8-L424 VanDerWaalsContact CA-O 3.29Å; E8-L424 WeakPolarHBondContact CA-O 3.14Å; E8-T425 HydrophobicContact CG-CG2 3.78Å; E8-R430 VanDerWaalsContact CD-NH2 3.28Å; E8-R430 IonicContact OE1-CZ 2.81Å; E8-R430 VanDerWaalsContact OE1-CZ 3.23Å; E8-R430 IonicContact OE1-NE 2.75Å; E8-R430 PolarHBondContact OE1-NE 2.76Å; E8-R430 IonicContact OE1-NH2 3.54Å; E8-R430 PolarHBondContact OE1-NH2 2.84Å; E8-R430 IonicContact OE2-CZ 3.7Å; E8-R430 IonicContact OE2-NE 3.23Å; E8-R430 IonicContact OE2-NH2 3.4Å; E8-R430 PolarHBondContact OE2-NH2 3.48Å
9V98.5Very high91.1Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-86.8122.1163.7-178.70000107.8V11 V27 E28 Y29 T154 E156 V159 A423 L424V9-V11 HydrophobicContact CG1-CG2 4.3Å; V9-V27 HydrophobicContact CG1-CG1 3.57Å; V9-E28 CarbonylContact C-O 3.48Å; V9-E28 WeakPolarHBondContact CA-O 3.49Å; V9-Y29 HydrophobicContact CB-CD2 4.41Å; V9-Y29 HydrophobicContact CG2-CD2 3.59Å; V9-Y29 HydrophobicContact CG2-CE2 4.19Å; V9-Y29 HydrophobicContact CG2-CG 4.41Å; V9-T154 HydrophobicContact CG1-CG2 4.19Å; V9-T154 HydrophobicContact CG2-CG2 4.02Å; V9-T154 VanDerWaalsContact CG2-OG1 3.26Å; V9-T154 WeakPolarHBondContact CG2-OG1 3.17Å; V9-E156 HydrophobicContact CG2-CB 3.86Å; V9-E156 HydrophobicContact CG2-CG 3.98Å; V9-V159 HydrophobicContact CG1-CG2 4.04Å; V9-A423 CarbonylContact O-C 3.14Å; V9-A423 WeakPolarHBondContact O-CA 3.33Å; V9-L424 HydrophobicContact CB-CB 4.37Å; V9-L424 PolarHBondContact N-O 3.12Å; V9-L424 PolarHBondContact O-N 2.84Å
10G98.5Very high91.2Very high0 Ų045.2 Ų45.20%023%0.234CC..EExtended strand (participates in β ladder)trans-88.9128.5171.400000111V27 E28 L422G10-V27 CarbonylContact O-C 3.52Å; G10-V27 VanDerWaalsContact O-CA 3.31Å; G10-V27 WeakPolarHBondContact O-CA 3.4Å; G10-E28 PolarHBondContact N-O 2.71Å; G10-E28 PolarHBondContact O-N 3.26Å; G10-L422 CarbonylContact C-O 3.59Å; G10-L422 WeakPolarHBondContact CA-O 3.26Å
11V98.8Very high91.4Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-120.7129.3171.4178.10000108.5V9 A26 V159 L193 L387 L422 L424V9-V11 HydrophobicContact CG1-CG2 4.3Å; V11-A26 WeakPolarHBondContact CA-O 3.49Å; V11-V159 HydrophobicContact CG2-CG1 4.06Å; V11-V159 HydrophobicContact CG2-CG2 4.14Å; V11-L193 HydrophobicContact CG1-CD1 3.93Å; V11-L193 HydrophobicContact CG1-CD2 3.71Å; V11-L193 HydrophobicContact CG1-CG 4.19Å; V11-L387 HydrophobicContact CG1-CD2 3.84Å; V11-L422 HydrophobicContact CB-CB 4.35Å; V11-L422 PolarHBondContact N-O 2.95Å; V11-L422 PolarHBondContact O-N 2.82Å; V11-L424 HydrophobicContact CG2-CD1 3.76Å
12Y98.6Very high94Very high2 Ų231.8 Ų31.81%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-156.6166-177.652.5-93.2000112.4Y25 A26 E28 Y59 D420 V421 I435Y12-Y25 WeakPolarHBondContact O-CA 3.38Å; Y12-A26 HydrophobicContact CD2-CB 3.97Å; Y12-A26 HydrophobicContact CE1-CB 4.34Å; Y12-A26 HydrophobicContact CE2-CB 3.38Å; Y12-A26 PolarHBondContact N-O 3.39Å; Y12-A26 VanDerWaalsContact N-O 3.12Å; Y12-A26 PolarHBondContact O-N 3.09Å; Y12-E28 HydrophobicContact CE1-CB 3.88Å; Y12-Y59 HydrophobicContact CE1-CE1 4.5Å; Y12-Y59 HydrophobicContact CE2-CD1 4.26Å; Y12-Y59 HydrophobicContact CE2-CE1 4.27Å; Y12-Y59 AromaticContact CZ-CE1 3.82Å; Y12-Y59 WeakPolarHBondContact OH-CE1 3.41Å; Y12-D420 VanDerWaalsContact CB-O 3.29Å; Y12-D420 WeakPolarHBondContact CB-O 3.43Å; Y12-V421 HydrophobicContact CD1-CG1 4.27Å; Y12-V421 HydrophobicContact CD1-CG2 4.35Å; Y12-V421 HydrophobicContact CG-CG2 4.48Å; Y12-I435 HydrophobicContact CD2-CD1 3.22Å; Y12-I435 HydrophobicContact CD2-CG1 4.47Å; Y12-I435 HydrophobicContact CE2-CD1 3.49Å; Y12-I435 VanDerWaalsContact CE2-CD1 3.49Å; Y12-I435 HydrophobicContact CG-CD1 3.86Å
13A98.7Very high95.9Very high0 Ų023.2 Ų23.20%013%0.131CC..EExtended strand (participates in β ladder)trans-123.2135.9175.800000110.8L17 Y25 G419A13-L17 HydrophobicContact CB-CD1 3.53Å; A13-L17 HydrophobicContact CB-CG 3.59Å; A13-Y25 HydrophobicContact CB-CD1 3.56Å; A13-Y25 HydrophobicContact CB-CE1 3.78Å; A13-G419 PolarHBondContact O-N 2.63Å
14L98.7Very high96.6Very high2 Ų220.4 Ų20.41%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-90.5-16.6167.9-64.5171.9000111.8T24 P55 Y57 L60 I418 I435L14-T24 HydrophobicContact CB-CG2 4.16Å; L14-T24 HydrophobicContact CD1-CG2 4.13Å; L14-T24 PolarHBondContact N-O 2.95Å; L14-P55 HydrophobicContact CB-CB 3.95Å; L14-Y57 HydrophobicContact CD1-CD1 4.25Å; L14-L60 HydrophobicContact CD1-CD1 3.45Å; L14-L60 VanDerWaalsContact CD1-CD1 3.45Å; L14-L60 HydrophobicContact CD1-CD2 4.17Å; L14-L60 HydrophobicContact CD1-CG 3.57Å; L14-I418 VanDerWaalsContact O-CG2 3.28Å; L14-I418 WeakPolarHBondContact O-CG2 3.23Å; L14-I435 HydrophobicContact CD2-CD1 3.57Å; L14-I435 HydrophobicContact CD2-CG1 4.42Å; L14-I435 HydrophobicContact CG-CD1 4.49Å
15G98.4Very high96.9Very high0 Ų019.3 Ų19.30%011%0.112CC..EExtended strand (participates in β ladder)trans-164.6167.2174.600000110.9K22 T24G15-K22 CarbonylContact C-O 3.55Å; G15-K22 VanDerWaalsContact C-O 3.28Å; G15-K22 VanDerWaalsContact CA-O 3.25Å; G15-K22 WeakPolarHBondContact CA-O 3.44Å; G15-T24 PolarHBondContact O-N 3.15Å
16G97.8Very high97.2Very high0 Ų014.7 Ų14.70%09%0.091CC..SBendtrans88.96.4178.400000116E19 G21 N23 Y25 H390G16-E19 PolarHBondContact N-OE1 3.11Å; G16-G21 WeakPolarHBondContact CA-O 3.43Å; G16-G21 PolarHBondContact N-O 3.31Å; G16-N23 WeakPolarHBondContact CA-OD1 3.35Å; G16-Y25 PolarHBondContact O-OH 2.89Å; G16-H390 VanDerWaalsContact O-CA 3.26Å; G16-H390 WeakPolarHBondContact O-CA 3.4Å; G16-H390 PolarHBondContact O-N 3.42Å; G16-H390 VanDerWaalsContact O-N 3.08Å
17L98.3Very high97.5Very high6 Ų610.3 Ų10.33%0.0316%0.063CC..BIsolated β-bridgetrans-111.9135.3169.8-59.9-176.4000110.5A13 E19 Y25 I389 L396 F416 I418A13-L17 HydrophobicContact CB-CD1 3.53Å; A13-L17 HydrophobicContact CB-CG 3.59Å; L17-E19 PolarHBondContact O-N 3.09Å; L17-Y25 HydrophobicContact CD2-CE1 4.15Å; L17-Y25 HydrophobicContact CG-CE1 4.45Å; L17-I389 HydrophobicContact CD2-CB 3.93Å; L17-I389 HydrophobicContact CD2-CG2 3.87Å; L17-L396 HydrophobicContact CB-CD1 4.45Å; L17-L396 HydrophobicContact CD2-CD1 4.44Å; L17-F416 HydrophobicContact CD1-CB 4.14Å; L17-I418 HydrophobicContact CB-CG1 4.06Å; L17-I418 WeakPolarHBondContact O-CD1 3.4Å; L17-I418 WeakPolarHBondContact O-CG1 3.47Å
18G97Very high97.7Very high36 Ų366.9 Ų6.937%0.3714%0.044SC..SBendtrans71.611.9-175.400000113.1G391G18-G391 CarbonylContact C-O 3.51Å; G18-G391 VanDerWaalsContact CA-O 3.31Å; G18-G391 WeakPolarHBondContact CA-O 3.3Å; G18-G391 PolarHBondContact N-O 3.39Å
19E95.3Very high97.7Very high14 Ų146.8 Ų6.87%0.0654%0.043CC..BIsolated β-bridgetrans-159.1166.1-178.763.6-173.7175.700111.8G16 L17 K22 K41 G391 I418G16-E19 PolarHBondContact N-OE1 3.11Å; L17-E19 PolarHBondContact O-N 3.09Å; E19-K22 WeakPolarHBondContact OE1-CD 3.28Å; E19-K22 VanDerWaalsContact OE1-CE 3.27Å; E19-K22 WeakPolarHBondContact OE1-CE 3.49Å; E19-K22 WeakPolarHBondContact OE1-CG 3.33Å; E19-K22 IonicContact OE1-NZ 3.8Å; E19-K22 PolarHBondContact OE1-NZ 3.38Å; E19-K22 IonicContact OE2-NZ 2.61Å; E19-K22 PolarHBondContact OE2-NZ 3.33Å; E19-K41 WeakPolarHBondContact OE2-CD 3.43Å; E19-K41 WeakPolarHBondContact OE2-CE 3.48Å; E19-K41 IonicContact OE2-NZ 3.27Å; E19-K41 PolarHBondContact OE2-NZ 3.42Å; E19-G391 PolarHBondContact N-O 3.4Å; E19-G391 CarbonylContact O-C 3.37Å; E19-G391 VanDerWaalsContact O-C 3.3Å; E19-G391 WeakPolarHBondContact O-CA 3.34Å; E19-G391 PolarHBondContact O-N 2.89Å; E19-G391 VanDerWaalsContact O-N 3.13Å; E19-I418 HydrophobicContact CG-CD1 4.43Å; E19-I418 VanDerWaalsContact OE1-CD1 3.22Å; E19-I418 WeakPolarHBondContact OE1-CD1 3.36Å
20I93.1Very high97.6Very high57 Ų5711.5 Ų11.529%0.2926%0.064SC..SBendtrans-104.5123.8164.7-61177.2000107.2T197 M395I20-T197 HydrophobicContact CD1-CG2 4.04Å; I20-M395 HydrophobicContact CD1-CE 3.95Å; I20-M395 HydrophobicContact CD1-SD 4.07Å; I20-M395 HydrophobicContact CG1-SD 4.33Å
21G93.8Very high97.5Very high3 Ų315 Ų153%0.0318%0.083CC..SBendtrans118.7166.3-176.900000114.2G16 N23G16-G21 WeakPolarHBondContact CA-O 3.43Å; G16-G21 PolarHBondContact N-O 3.31Å; G21-N23 PolarHBondContact O-N 3.4Å
22K96.5Very high97.5Very high0 Ų016 Ų160%09%0.088CC..  trans52.335.8177.471.8163.291.7108.90115G15 E19 T24 I40 K41 P55 N439G15-K22 CarbonylContact C-O 3.55Å; G15-K22 VanDerWaalsContact C-O 3.28Å; G15-K22 VanDerWaalsContact CA-O 3.25Å; G15-K22 WeakPolarHBondContact CA-O 3.44Å; E19-K22 WeakPolarHBondContact OE1-CD 3.28Å; E19-K22 VanDerWaalsContact OE1-CE 3.27Å; E19-K22 WeakPolarHBondContact OE1-CE 3.49Å; E19-K22 WeakPolarHBondContact OE1-CG 3.33Å; E19-K22 IonicContact OE1-NZ 3.8Å; E19-K22 PolarHBondContact OE1-NZ 3.38Å; E19-K22 IonicContact OE2-NZ 2.61Å; E19-K22 PolarHBondContact OE2-NZ 3.33Å; K22-T24 PolarHBondContact O-N 3.47Å; K22-T24 VanDerWaalsContact O-N 3.08Å; K22-I40 PolarHBondContact N-O 3.24Å; K22-K41 HydrophobicContact CB-CB 3.91Å; K22-K41 HydrophobicContact CG-CB 4.11Å; K22-P55 HydrophobicContact CB-CG 4.07Å; K22-P55 HydrophobicContact CD-CG 4.17Å; K22-N439 PolarHBondContact NZ-OD1 3.23Å
23N98.7Very high97.5Very high0 Ų016 Ų160%09%0.087CC..  trans-59.1115.5-179.1-61.9-50.7000109.9G16 G21 Y25 D37 A38 G39 D78 H79 H390G16-N23 WeakPolarHBondContact CA-OD1 3.35Å; G21-N23 PolarHBondContact O-N 3.4Å; N23-Y25 HydrophobicContact CB-CE2 3.79Å; N23-Y25 PolarHBondContact OD1-OH 3.33Å; N23-D37 CarbonylContact O-C 3.3Å; N23-D37 WeakPolarHBondContact O-CB 3.21Å; N23-A38 PolarHBondContact O-N 2.71Å; N23-G39 PolarHBondContact O-N 2.82Å; N23-D78 VanDerWaalsContact CB-O 3.28Å; N23-D78 WeakPolarHBondContact CB-O 3.32Å; N23-D78 PolarHBondContact N-O 3.46Å; N23-D78 PolarHBondContact ND2-O 3.01Å; N23-H79 PolarHBondContact ND2-CE1 3.42Å; N23-H79 PolarHBondContact ND2-NE2 2.83Å; N23-H390 VanDerWaalsContact CG-CD2 3.4Å; N23-H390 PolarHBondContact ND2-CD2 2.71Å; N23-H390 PolarHBondContact ND2-NE2 2.88Å; N23-H390 PolarHBondContact OD1-CD2 3.33Å
24T98.9Very high97.5Very high0 Ų016 Ų160%09%0.087CC..EExtended strand (participates in β ladder)trans-150.5103.9176.4-56.80000107.4L14 G15 K22 I35 A38 P55 Y57L14-T24 HydrophobicContact CB-CG2 4.16Å; L14-T24 HydrophobicContact CD1-CG2 4.13Å; L14-T24 PolarHBondContact N-O 2.95Å; G15-T24 PolarHBondContact O-N 3.15Å; K22-T24 PolarHBondContact O-N 3.47Å; K22-T24 VanDerWaalsContact O-N 3.08Å; T24-I35 HydrophobicContact CG2-CG2 4.07Å; T24-A38 WeakPolarHBondContact OG1-CA 3.39Å; T24-P55 WeakPolarHBondContact OG1-CG 3.42Å; T24-Y57 HydrophobicContact CG2-CE1 4.29Å
25Y98.9Very high97.5Very high3 Ų315.9 Ų15.91%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-111.8160.2-178.4-52.5-78.6000110.3Y12 A13 G16 L17 N23 I35 I36 H161 I389 H390Y12-Y25 WeakPolarHBondContact O-CA 3.38Å; A13-Y25 HydrophobicContact CB-CD1 3.56Å; A13-Y25 HydrophobicContact CB-CE1 3.78Å; G16-Y25 PolarHBondContact O-OH 2.89Å; L17-Y25 HydrophobicContact CD2-CE1 4.15Å; L17-Y25 HydrophobicContact CG-CE1 4.45Å; N23-Y25 HydrophobicContact CB-CE2 3.79Å; N23-Y25 PolarHBondContact OD1-OH 3.33Å; Y25-I35 CarbonylContact O-C 3.45Å; Y25-I35 WeakPolarHBondContact O-CA 3.24Å; Y25-I36 PolarHBondContact N-O 2.88Å; Y25-I36 PolarHBondContact O-N 3.22Å; Y25-H161 AromaticContact CD2-CE1 3.94Å; Y25-H161 AromaticContact CD2-NE2 3.05Å; Y25-H161 WeakPolarHBondContact CD2-NE2 3.29Å; Y25-H161 AromaticContact CE2-NE2 3.44Å; Y25-H161 WeakPolarHBondContact CE2-NE2 3.26Å; Y25-H161 AromaticContact CG-NE2 3.66Å; Y25-I389 HydrophobicContact CD1-CG2 4.32Å; Y25-I389 HydrophobicContact CD2-CD1 4.33Å; Y25-I389 HydrophobicContact CE1-CB 3.79Å; Y25-I389 HydrophobicContact CE1-CD1 4.19Å; Y25-I389 HydrophobicContact CE1-CG2 3.87Å; Y25-I389 HydrophobicContact CE2-CD1 3.78Å; Y25-H390 PolarHBondContact OH-N 3.34Å
26A98.8Very high97.6Very high2 Ų216 Ų162%0.0179%0.087CC..EExtended strand (participates in β ladder)trans-149151.6175.600000113.2V11 Y12 I33 V34V11-A26 WeakPolarHBondContact CA-O 3.49Å; Y12-A26 HydrophobicContact CD2-CB 3.97Å; Y12-A26 HydrophobicContact CE1-CB 4.34Å; Y12-A26 HydrophobicContact CE2-CB 3.38Å; Y12-A26 PolarHBondContact N-O 3.39Å; Y12-A26 VanDerWaalsContact N-O 3.12Å; Y12-A26 PolarHBondContact O-N 3.09Å; A26-I33 HydrophobicContact CB-CG2 4.18Å; A26-V34 CarbonylContact C-O 3.6Å; A26-V34 WeakPolarHBondContact CA-O 3.42Å; A26-V34 WeakPolarHBondContact CB-O 3.25Å
27V98.8Very high97.6Very high1 Ų116 Ų161%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-121.6118.5173.2-174.80000107.8V9 G10 I33 V34 F133 V152 T154 V159V9-V27 HydrophobicContact CG1-CG1 3.57Å; G10-V27 CarbonylContact O-C 3.52Å; G10-V27 VanDerWaalsContact O-CA 3.31Å; G10-V27 WeakPolarHBondContact O-CA 3.4Å; V27-I33 WeakPolarHBondContact O-CA 3.29Å; V27-V34 PolarHBondContact N-O 2.94Å; V27-V34 PolarHBondContact O-N 3.03Å; V27-F133 HydrophobicContact CG1-CE1 4.47Å; V27-F133 HydrophobicContact CG1-CZ 4.47Å; V27-V152 HydrophobicContact CB-CG1 4.22Å; V27-V152 HydrophobicContact CG1-CB 4.45Å; V27-V152 HydrophobicContact CG1-CG1 3.98Å; V27-V152 HydrophobicContact CG2-CB 4.41Å; V27-V152 HydrophobicContact CG2-CG2 4.16Å; V27-T154 HydrophobicContact CG1-CG2 4.42Å; V27-V159 HydrophobicContact CG1-CB 4.47Å; V27-V159 HydrophobicContact CG1-CG2 4.26Å; V27-V159 HydrophobicContact CG2-CB 4.34Å; V27-V159 HydrophobicContact CG2-CG1 3.89Å
28E98.4Very high97.6Very high9 Ų915.7 Ų15.74%0.0429%0.086CC..EExtended strand (participates in β ladder)trans-113.3133.4-179.7-178.9167.8-175.700110.3L4 V9 G10 Y12 E32 I33 Y59 K66L4-E28 HydrophobicContact CD1-CB 4.13Å; L4-E28 HydrophobicContact CD1-CG 4.02Å; V9-E28 CarbonylContact C-O 3.48Å; V9-E28 WeakPolarHBondContact CA-O 3.49Å; G10-E28 PolarHBondContact N-O 2.71Å; G10-E28 PolarHBondContact O-N 3.26Å; Y12-E28 HydrophobicContact CE1-CB 3.88Å; E28-E32 WeakPolarHBondContact CA-O 3.49Å; E28-I33 HydrophobicContact CB-CG1 4.01Å; E28-I33 HydrophobicContact CG-CD1 4.41Å; E28-I33 HydrophobicContact CG-CG1 3.75Å; E28-Y59 PolarHBondContact OE2-OH 3.17Å; E28-K66 IonicContact OE1-NZ 3.79Å; E28-K66 PolarHBondContact OE1-NZ 3.09Å
29Y98.2Very high97.7Very high7 Ų714 Ų143%0.0277%0.068CC..EExtended strand (participates in β ladder)trans-144118.1170.3-174.8-98.6000109.3E8 V9 D31 E32 H132 F133 P155 E156E8-Y29 WeakPolarHBondContact O-CD2 3.23Å; V9-Y29 HydrophobicContact CB-CD2 4.41Å; V9-Y29 HydrophobicContact CG2-CD2 3.59Å; V9-Y29 HydrophobicContact CG2-CE2 4.19Å; V9-Y29 HydrophobicContact CG2-CG 4.41Å; Y29-D31 PolarHBondContact O-N 3.11Å; Y29-E32 PolarHBondContact N-O 3.38Å; Y29-E32 PolarHBondContact O-N 3.05Å; Y29-H132 HydrophobicContact CD1-CB 3.8Å; Y29-H132 AromaticContact CD1-CG 3.97Å; Y29-H132 HydrophobicContact CE1-CB 4.35Å; Y29-F133 VanDerWaalsContact CB-CE1 3.5Å; Y29-F133 VanDerWaalsContact CB-CZ 3.49Å; Y29-F133 HydrophobicContact CG-CE1 4.47Å; Y29-P155 HydrophobicContact CD1-CG 4.24Å; Y29-P155 HydrophobicContact CE1-CB 4.25Å; Y29-P155 HydrophobicContact CE1-CG 3.58Å; Y29-E156 HydrophobicContact CE2-CG 3.88Å
30K96.2Very high97.7Very high100 Ų10013.4 Ų13.444%0.4357%0.066SC..THydrogen-bonded Turntrans54.1-105.8-176.3-63175.8179.9166.60112.8P6P6-K30 WeakPolarHBondContact O-CE 3.18Å; P6-K30 VanDerWaalsContact O-CG 3.28Å; P6-K30 WeakPolarHBondContact O-CG 3.38Å
31D96.7Very high97.6Very high72 Ų7213.6 Ų13.639%0.3856%0.064SC..THydrogen-bonded Turntrans-106.113-175.857.6-43.7000113.1Y29 K66 K131 H132Y29-D31 PolarHBondContact O-N 3.11Å; D31-K66 WeakPolarHBondContact O-CA 3.41Å; D31-K66 VanDerWaalsContact O-CB 3.31Å; D31-K66 WeakPolarHBondContact O-CB 3.32Å; D31-K131 IonicContact OD1-NZ 3.7Å; D31-K131 PolarHBondContact OD1-NZ 2.92Å; D31-K131 IonicContact OD2-NZ 3.69Å; D31-K131 PolarHBondContact OD2-NZ 3.17Å; D31-H132 IonicContact OD1-CD2 3.51Å; D31-H132 PolarHBondContact OD1-CD2 2.61Å; D31-H132 VanDerWaalsContact OD1-CD2 3.27Å; D31-H132 IonicContact OD1-NE2 2.79Å; D31-H132 PolarHBondContact OD1-NE2 3.11Å; D31-H132 VanDerWaalsContact OD1-NE2 3.07Å
32E98.3Very high97.3Very high23 Ų2319.2 Ų19.211%0.1079%0.088CC..EExtended strand (participates in β ladder)trans-125.7139.6178.3-66.4-167146.500112.5E28 Y29 K66 V68 S130 K131 H132 F133E28-E32 WeakPolarHBondContact CA-O 3.49Å; Y29-E32 PolarHBondContact N-O 3.38Å; Y29-E32 PolarHBondContact O-N 3.05Å; E32-K66 CarbonylContact C-O 3.33Å; E32-K66 VanDerWaalsContact CA-O 3.29Å; E32-K66 WeakPolarHBondContact CA-O 3.47Å; E32-V68 HydrophobicContact CB-CG2 3.77Å; E32-V68 HydrophobicContact CG-CG2 3.95Å; E32-S130 WeakPolarHBondContact OE1-CB 3.29Å; E32-S130 PolarHBondContact OE1-OG 2.89Å; E32-S130 WeakPolarHBondContact OE2-CB 3.48Å; E32-S130 PolarHBondContact OE2-OG 2.97Å; E32-K131 WeakPolarHBondContact OE1-CB 3.21Å; E32-K131 PolarHBondContact OE1-N 2.72Å; E32-K131 PolarHBondContact OE2-N 2.91Å; E32-H132 WeakPolarHBondContact OE2-CA 3.21Å; E32-H132 WeakPolarHBondContact OE2-CB 3.44Å; E32-H132 PolarHBondContact OE2-N 2.77Å; E32-F133 HydrophobicContact CB-CD2 3.79Å; E32-F133 HydrophobicContact CB-CE2 3.45Å; E32-F133 VanDerWaalsContact CB-CE2 3.45Å; E32-F133 HydrophobicContact CB-CZ 4.33Å; E32-F133 WeakPolarHBondContact O-CE2 3.41Å; E32-F133 PolarHBondContact OE2-N 2.85Å
33I98.6Very high96.7Very high0 Ų021 Ų210%010%0.1CC..EExtended strand (participates in β ladder)trans-127.1126.6174.7-59.8173.8000108.9A26 V27 E28 I35 Y59 L60 N63 K66 I67 V68A26-I33 HydrophobicContact CB-CG2 4.18Å; V27-I33 WeakPolarHBondContact O-CA 3.29Å; E28-I33 HydrophobicContact CB-CG1 4.01Å; E28-I33 HydrophobicContact CG-CD1 4.41Å; E28-I33 HydrophobicContact CG-CG1 3.75Å; I33-I35 HydrophobicContact CG2-CG1 4.21Å; I33-Y59 HydrophobicContact CD1-CE1 4.36Å; I33-L60 HydrophobicContact CG2-CD2 4.47Å; I33-N63 HydrophobicContact CD1-CB 3.83Å; I33-K66 HydrophobicContact CD1-CB 3.97Å; I33-K66 HydrophobicContact CD1-CD 4.07Å; I33-K66 HydrophobicContact CG1-CB 3.92Å; I33-K66 HydrophobicContact CG1-CD 4.32Å; I33-K66 PolarHBondContact N-O 3.35Å; I33-I67 HydrophobicContact CB-CG1 4.45Å; I33-I67 WeakPolarHBondContact O-CA 3.45Å; I33-V68 PolarHBondContact O-N 2.97Å
34V98.8Very high95.9Very high0 Ų025.1 Ų25.10%012%0.122CC..EExtended strand (participates in β ladder)trans-101.4126.9167.4168.10000108.1A26 V27 I36 V68 F71 F133 I135 V152A26-V34 CarbonylContact C-O 3.6Å; A26-V34 WeakPolarHBondContact CA-O 3.42Å; A26-V34 WeakPolarHBondContact CB-O 3.25Å; V27-V34 PolarHBondContact N-O 2.94Å; V27-V34 PolarHBondContact O-N 3.03Å; V34-I36 HydrophobicContact CG1-CG1 4.2Å; V34-V68 HydrophobicContact CG2-CB 4.36Å; V34-F71 HydrophobicContact CG1-CD2 3.65Å; V34-F71 HydrophobicContact CG1-CE2 3.86Å; V34-F71 HydrophobicContact CG2-CE2 4.29Å; V34-F133 HydrophobicContact CG2-CD2 3.5Å; V34-F133 HydrophobicContact CG2-CE2 3.83Å; V34-F133 HydrophobicContact CG2-CG 4.16Å; V34-I135 HydrophobicContact CG1-CG1 4.46Å; V34-I135 HydrophobicContact CG2-CD1 3.98Å; V34-I135 HydrophobicContact CG2-CG1 3.91Å; V34-V152 HydrophobicContact CB-CG1 4.46Å; V34-V152 HydrophobicContact CB-CG2 4.47Å; V34-V152 HydrophobicContact CG1-CG2 3.88Å; V34-V152 HydrophobicContact CG2-CG1 4.25Å
35I98.9Very high94.8Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-102.8134.4174.4-53.3165000108.2T24 Y25 I33 L60 I67 G69 L70 F71 I92T24-I35 HydrophobicContact CG2-CG2 4.07Å; Y25-I35 CarbonylContact O-C 3.45Å; Y25-I35 WeakPolarHBondContact O-CA 3.24Å; I33-I35 HydrophobicContact CG2-CG1 4.21Å; I35-L60 HydrophobicContact CD1-CD1 3.73Å; I35-L60 HydrophobicContact CD1-CD2 4.01Å; I35-L60 HydrophobicContact CD1-CG 4.43Å; I35-L60 HydrophobicContact CG1-CD1 4.39Å; I35-L60 HydrophobicContact CG1-CD2 4.19Å; I35-I67 HydrophobicContact CD1-CD1 3.99Å; I35-I67 HydrophobicContact CD1-CG1 4.28Å; I35-I67 HydrophobicContact CD1-CG2 3.7Å; I35-I67 HydrophobicContact CG1-CG2 4.29Å; I35-G69 PolarHBondContact N-O 3.18Å; I35-G69 VanDerWaalsContact N-O 3.11Å; I35-L70 HydrophobicContact CB-CD1 3.94Å; I35-L70 HydrophobicContact CG2-CD1 3.55Å; I35-F71 PolarHBondContact O-N 3.01Å; I35-I92 HydrophobicContact CD1-CD1 3.92Å
36I98.9Very high94Very high2 Ų235.3 Ų35.31%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-116.9117.6176.8-51.7174.8000107.7Y25 V34 F71 T73 V150 V152 H161Y25-I36 PolarHBondContact N-O 2.88Å; Y25-I36 PolarHBondContact O-N 3.22Å; V34-I36 HydrophobicContact CG1-CG1 4.2Å; I36-F71 WeakPolarHBondContact CA-O 3.49Å; I36-T73 HydrophobicContact CG2-CG2 3.64Å; I36-V150 HydrophobicContact CD1-CB 4.2Å; I36-V150 HydrophobicContact CD1-CG1 4.08Å; I36-V150 HydrophobicContact CG1-CG1 4.4Å; I36-V150 HydrophobicContact CG2-CG2 4.16Å; I36-V152 HydrophobicContact CD1-CG2 4.27Å; I36-H161 HydrophobicContact CD1-CB 3.78Å
37D98.9Very high93.4Very high0 Ų037 Ų370%019%0.185CC..  trans60.2160.3-174.3-60.7-33.3000115.5N23 L70 F71 I72 T73 H79N23-D37 CarbonylContact O-C 3.3Å; N23-D37 WeakPolarHBondContact O-CB 3.21Å; D37-L70 WeakPolarHBondContact O-CD1 3.28Å; D37-F71 PolarHBondContact N-O 3.19Å; D37-I72 WeakPolarHBondContact OD1-CA 3.35Å; D37-T73 VanDerWaalsContact CG-OG1 3.28Å; D37-T73 PolarHBondContact OD1-N 3.27Å; D37-T73 PolarHBondContact OD1-OG1 2.7Å; D37-T73 VanDerWaalsContact OD1-OG1 3.13Å; D37-T73 WeakPolarHBondContact OD2-CB 3.44Å; D37-T73 VanDerWaalsContact OD2-CG2 3.23Å; D37-T73 WeakPolarHBondContact OD2-CG2 3.08Å; D37-T73 PolarHBondContact OD2-OG1 3.27Å; D37-H79 HydrophobicContact CB-CB 4.08Å; D37-H79 IonicContact OD2-CE1 3.65Å; D37-H79 IonicContact OD2-CG 3.84Å; D37-H79 IonicContact OD2-ND1 3.38Å; D37-H79 PolarHBondContact OD2-ND1 3.36Å
38A98.7Very high92.8Very high0 Ų039.6 Ų39.60%020%0.198CC..  trans-15182.317400000109.9N23 T24 L70 H79 I80 G82 V83 L86N23-A38 PolarHBondContact O-N 2.71Å; T24-A38 WeakPolarHBondContact OG1-CA 3.39Å; A38-L70 HydrophobicContact CB-CD1 4.11Å; A38-L70 HydrophobicContact CB-CD2 3.98Å; A38-H79 CarbonylContact C-O 3.53Å; A38-H79 PolarHBondContact N-O 3Å; A38-I80 CarbonylContact O-C 3.52Å; A38-G82 CarbonylContact O-C 3.58Å; A38-G82 WeakPolarHBondContact O-CA 3.46Å; A38-G82 PolarHBondContact O-N 3.15Å; A38-V83 HydrophobicContact CB-CG2 3.93Å; A38-V83 PolarHBondContact O-N 3.42Å; A38-V83 VanDerWaalsContact O-N 3.15Å; A38-L86 HydrophobicContact CB-CD2 3.93Å
39G97.9Very high92.3Very high0 Ų041.4 Ų41.40%022%0.22CC..  trans-87.5169.3-172.600000117.4N23 D78 G82N23-G39 PolarHBondContact O-N 2.82Å; G39-D78 WeakPolarHBondContact CA-O 3.4Å; G39-G82 WeakPolarHBondContact O-CA 3.47Å
40I95.2Very high91.9Very high3 Ų341.7 Ų41.72%0.01522%0.222CC..  trans-105.8162.5158.757.2162.7000111.1K22 F42 Y52 I54 E77 D78 G81 F85K22-I40 PolarHBondContact N-O 3.24Å; I40-F42 HydrophobicContact CD1-CE1 4.3Å; I40-F42 HydrophobicContact CD1-CZ 4.26Å; I40-Y52 HydrophobicContact CD1-CD1 3.36Å; I40-Y52 HydrophobicContact CD1-CE1 3.66Å; I40-Y52 HydrophobicContact CD1-CG 4.05Å; I40-I54 HydrophobicContact CG2-CG2 3.68Å; I40-E77 HydrophobicContact CD1-CB 4.18Å; I40-E77 HydrophobicContact CG1-CB 4.09Å; I40-E77 VanDerWaalsContact CG1-O 3.31Å; I40-E77 WeakPolarHBondContact CG1-O 3.39Å; I40-E77 PolarHBondContact N-O 2.9Å; I40-D78 VanDerWaalsContact O-CA 3.29Å; I40-D78 WeakPolarHBondContact O-CA 3.35Å; I40-G81 WeakPolarHBondContact CG2-O 3.49Å; I40-F85 HydrophobicContact CG2-CE2 4.28Å
41K92.4Very high91.4Very high60 Ų6040.5 Ų40.526%0.26122%0.22SC..BIsolated β-bridgetrans-119.8136.8165.4174.8178.8-175.9-174.70108.9E19 K22 V53E19-K41 WeakPolarHBondContact OE2-CD 3.43Å; E19-K41 WeakPolarHBondContact OE2-CE 3.48Å; E19-K41 IonicContact OE2-NZ 3.27Å; E19-K41 PolarHBondContact OE2-NZ 3.42Å; K22-K41 HydrophobicContact CB-CB 3.91Å; K22-K41 HydrophobicContact CG-CB 4.11Å; K41-V53 HydrophobicContact CB-CB 4.25Å; K41-V53 PolarHBondContact N-O 3.24Å; K41-V53 PolarHBondContact O-N 2.94Å
42F86.2Confident91.1Very high121 Ų12141.5 Ų41.553%0.53122%0.219SC..  trans-72.4137.2171.5-64.5-76.4000110.2I40 Y52 E77I40-F42 HydrophobicContact CD1-CE1 4.3Å; I40-F42 HydrophobicContact CD1-CZ 4.26Å; F42-Y52 HydrophobicContact CD1-CD1 4.34Å; F42-Y52 HydrophobicContact CD1-CE1 4.32Å; F42-Y52 HydrophobicContact CE1-CD1 4.32Å; F42-Y52 AromaticContact CE1-CE1 3.96Å; F42-Y52 HydrophobicContact CE1-CE1 3.96Å; F42-E77 HydrophobicContact CE2-CB 4.46Å; F42-E77 HydrophobicContact CZ-CB 4.35Å; F42-E77 HydrophobicContact CZ-CG 4.48Å
43P84.8Confident90.9Very high38 Ų3840.6 Ų40.625%0.24722%0.215CC..  trans-65.6150.5-179.625.2-31.1000111.3L47 I50 D51P43-L47 HydrophobicContact CB-CB 3.79Å; P43-L47 HydrophobicContact CB-CD1 4.06Å; P43-I50 HydrophobicContact CB-CB 4.15Å; P43-I50 HydrophobicContact CB-CG2 4.07Å; P43-I50 HydrophobicContact CG-CB 4.42Å; P43-I50 HydrophobicContact CG-CG2 4.3Å; P43-I50 VanDerWaalsContact CG-O 3.29Å; P43-I50 WeakPolarHBondContact CG-O 3.46Å; P43-D51 WeakPolarHBondContact CD-O 3.49Å
44D81.1Confident90.8Very high86 Ų8640.6 Ų40.646%0.4622%0.215SC..  trans-81.3174.4168.973.9-4.6000110.9N46 L47D44-N46 PolarHBondContact O-N 3.46Å; D44-N46 WeakPolarHBondContact OD1-CA 3.24Å; D44-N46 WeakPolarHBondContact OD1-CB 3.45Å; D44-N46 PolarHBondContact OD1-N 2.93Å; D44-N46 PolarHBondContact OD2-ND2 2.93Å; D44-L47 PolarHBondContact O-N 3.21Å; D44-L47 WeakPolarHBondContact OD1-CG 3.49Å; D44-L47 PolarHBondContact OD1-N 3.35Å
45D77.2Confident90.7Very high123 Ų12340.6 Ų40.666%0.65822%0.215SC*.THydrogen-bonded Turntrans-61.4-14.6178.7-74.7-13000113.5
46N81.5Confident90.6Very high94 Ų9442.3 Ų42.350%0.50323%0.225SC..THydrogen-bonded Turntrans-87.8-24.8-179-59.5-59.9000112.8D44 L48D44-N46 PolarHBondContact O-N 3.46Å; D44-N46 WeakPolarHBondContact OD1-CA 3.24Å; D44-N46 WeakPolarHBondContact OD1-CB 3.45Å; D44-N46 PolarHBondContact OD1-N 2.93Å; D44-N46 PolarHBondContact OD2-ND2 2.93Å; N46-L48 PolarHBondContact O-N 2.95Å
47L85.5Confident90.6Very high37 Ų3742.3 Ų42.319%0.19422%0.224CC..SBendtrans-83.166.5178-68.7177.2000111P43 D44 G49 I50 V53 L441 I455P43-L47 HydrophobicContact CB-CB 3.79Å; P43-L47 HydrophobicContact CB-CD1 4.06Å; D44-L47 PolarHBondContact O-N 3.21Å; D44-L47 WeakPolarHBondContact OD1-CG 3.49Å; D44-L47 PolarHBondContact OD1-N 3.35Å; L47-G49 PolarHBondContact O-N 3.32Å; L47-I50 HydrophobicContact CB-CB 4.12Å; L47-I50 HydrophobicContact CB-CG1 4.04Å; L47-I50 WeakPolarHBondContact O-CB 3.3Å; L47-I50 PolarHBondContact O-N 2.91Å; L47-I50 VanDerWaalsContact O-N 3.15Å; L47-V53 HydrophobicContact CD1-CG2 3.64Å; L47-L441 HydrophobicContact CD1-CD2 4.23Å; L47-L441 HydrophobicContact CD2-CD1 4.38Å; L47-L441 HydrophobicContact CD2-CD2 4.24Å; L47-I455 HydrophobicContact CD2-CG1 4.47Å; L47-I455 HydrophobicContact CD2-CG2 4.37Å
48L86.7Confident90.5Very high56 Ų5644.8 Ų44.829%0.29324%0.239SC..THydrogen-bonded Turntrans-56.3123.4-174.5-65.7175.6000112.6N46 I50 R458 K459N46-L48 PolarHBondContact O-N 2.95Å; L48-I50 PolarHBondContact O-N 3.36Å; L48-R458 HydrophobicContact CB-CB 4.1Å; L48-R458 HydrophobicContact CD1-CB 4.28Å; L48-R458 WeakPolarHBondContact O-CD 3.41Å; L48-R458 PolarHBondContact O-NH1 3.42Å; L48-K459 HydrophobicContact CD1-CB 4.23Å
49G87.4Confident90.4Very high48 Ų4846.1 Ų46.150%0.49525%0.245SC..THydrogen-bonded Turntrans70.815.3176.400000114.5L47 D443 R458L47-G49 PolarHBondContact O-N 3.32Å; G49-D443 VanDerWaalsContact O-OD2 3.11Å; G49-R458 PolarHBondContact O-NH1 3.14Å
50I89.7Confident90.5Very high13 Ų1346.1 Ų46.17%0.06725%0.245CC..  trans-85.3142.5169.1-63-51.7000108.7P43 L47 L48 Y52 V53 L441 D443 I450 I455P43-I50 HydrophobicContact CB-CB 4.15Å; P43-I50 HydrophobicContact CB-CG2 4.07Å; P43-I50 HydrophobicContact CG-CB 4.42Å; P43-I50 HydrophobicContact CG-CG2 4.3Å; P43-I50 VanDerWaalsContact CG-O 3.29Å; P43-I50 WeakPolarHBondContact CG-O 3.46Å; L47-I50 HydrophobicContact CB-CB 4.12Å; L47-I50 HydrophobicContact CB-CG1 4.04Å; L47-I50 WeakPolarHBondContact O-CB 3.3Å; L47-I50 PolarHBondContact O-N 2.91Å; L47-I50 VanDerWaalsContact O-N 3.15Å; L48-I50 PolarHBondContact O-N 3.36Å; I50-Y52 WeakPolarHBondContact CG2-O 3.45Å; I50-V53 HydrophobicContact CG2-CG2 4.34Å; I50-L441 HydrophobicContact CD1-CB 3.81Å; I50-L441 HydrophobicContact CD1-CD1 4.1Å; I50-L441 HydrophobicContact CD1-CG 4.46Å; I50-L441 HydrophobicContact CG1-CB 4.36Å; I50-L441 HydrophobicContact CG1-CD1 4.23Å; I50-L441 HydrophobicContact CG2-CB 4.44Å; I50-L441 HydrophobicContact CG2-CD2 4.39Å; I50-D443 HydrophobicContact CD1-CB 4.37Å; I50-I450 HydrophobicContact CD1-CB 4.27Å; I50-I450 HydrophobicContact CD1-CD1 3.79Å; I50-I450 HydrophobicContact CD1-CG2 3.86Å; I50-I455 HydrophobicContact CD1-CD1 3.81Å; I50-I455 HydrophobicContact CG1-CD1 3.67Å
51D85.5Confident90.6Very high75 Ų7548.3 Ų48.340%0.40126%0.258SS..  trans-90.1-49.3174-68.6-40.2000110.7P43 V442 G444P43-D51 WeakPolarHBondContact CD-O 3.49Å; D51-V442 PolarHBondContact N-O 2.96Å; D51-G444 PolarHBondContact OD2-N 3.46Å
52Y90.3Very high90.8Very high93 Ų9352 Ų5237%0.36528%0.276SS..EExtended strand (participates in β ladder)trans-143156.6-177.6-49.8-65.7000111.9I40 F42 I50 V442I40-Y52 HydrophobicContact CD1-CD1 3.36Å; I40-Y52 HydrophobicContact CD1-CE1 3.66Å; I40-Y52 HydrophobicContact CD1-CG 4.05Å; F42-Y52 HydrophobicContact CD1-CD1 4.34Å; F42-Y52 HydrophobicContact CD1-CE1 4.32Å; F42-Y52 HydrophobicContact CE1-CD1 4.32Å; F42-Y52 AromaticContact CE1-CE1 3.96Å; F42-Y52 HydrophobicContact CE1-CE1 3.96Å; I50-Y52 WeakPolarHBondContact CG2-O 3.45Å; Y52-V442 HydrophobicContact CD2-CG1 4.44Å; Y52-V442 PolarHBondContact N-O 3.31Å; Y52-V442 PolarHBondContact O-N 3.33Å
53V94Very high91.3Very high3 Ų347.5 Ų47.52%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-114.8131.3167.3-171.60000108.3K41 L47 I50 N439 L441K41-V53 HydrophobicContact CB-CB 4.25Å; K41-V53 PolarHBondContact N-O 3.24Å; K41-V53 PolarHBondContact O-N 2.94Å; L47-V53 HydrophobicContact CD1-CG2 3.64Å; I50-V53 HydrophobicContact CG2-CG2 4.34Å; V53-N439 HydrophobicContact CG1-CB 3.74Å; V53-L441 HydrophobicContact CG1-CD2 4.21Å; V53-L441 HydrophobicContact CG2-CD2 3.92Å
54I96.6Very high91.9Very high0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-119.8162.1175.366.9179.5000110.4I40 Y57 F85 V440 V442 I447I40-I54 HydrophobicContact CG2-CG2 3.68Å; I54-Y57 HydrophobicContact CD1-CE2 4.4Å; I54-F85 HydrophobicContact CD1-CB 3.53Å; I54-F85 HydrophobicContact CD1-CD1 4.13Å; I54-F85 HydrophobicContact CD1-CG 3.88Å; I54-F85 HydrophobicContact CG2-CD2 4.01Å; I54-F85 HydrophobicContact CG2-CE2 4.44Å; I54-F85 HydrophobicContact CG2-CG 4.25Å; I54-V440 HydrophobicContact CD1-CB 4.31Å; I54-V440 HydrophobicContact CD1-CG1 4.19Å; I54-V440 HydrophobicContact CG1-CB 3.71Å; I54-V440 HydrophobicContact CG1-CG1 4.07Å; I54-V440 PolarHBondContact N-O 3.3Å; I54-V440 PolarHBondContact O-N 3.46Å; I54-V442 HydrophobicContact CD1-CG2 4.1Å; I54-V442 HydrophobicContact CG1-CG2 4.27Å; I54-V442 HydrophobicContact CG2-CG2 4.25Å; I54-I447 HydrophobicContact CD1-CG2 4.11Å
55P97.4Very high92.7Very high0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-64.5151.4172.1-20.233.3000112.9L14 K22 T24 Y57L14-P55 HydrophobicContact CB-CB 3.95Å; K22-P55 HydrophobicContact CB-CG 4.07Å; K22-P55 HydrophobicContact CD-CG 4.17Å; T24-P55 WeakPolarHBondContact OG1-CG 3.42Å; P55-Y57 HydrophobicContact CB-CD1 4.1Å; P55-Y57 HydrophobicContact CB-CE1 3.64Å; P55-Y57 WeakPolarHBondContact CD-OH 3.37Å; P55-Y57 HydrophobicContact CG-CE1 3.87Å; P55-Y57 PolarHBondContact O-N 2.97Å
56D97.1Very high93.7Very high37 Ų3750.6 Ų50.620%0.19827%0.267CS..  trans-72114.7162.4-178.6-1.5000110.1T58 G438 V440D56-T58 WeakPolarHBondContact OD1-CB 3.36Å; D56-T58 PolarHBondContact OD1-N 3.13Å; D56-T58 PolarHBondContact OD1-OG1 2.81Å; D56-G438 PolarHBondContact N-O 3.34Å; D56-V440 HydrophobicContact CB-CG2 4.14Å
57Y97.8Very high94.5Very high1 Ų147 Ų470%0.00425%0.247CC..  trans-92.48.8-179.3-57.7-50.4000114L14 T24 I54 P55 Y59 L60 V61 L86L14-Y57 HydrophobicContact CD1-CD1 4.25Å; T24-Y57 HydrophobicContact CG2-CE1 4.29Å; I54-Y57 HydrophobicContact CD1-CE2 4.4Å; P55-Y57 HydrophobicContact CB-CD1 4.1Å; P55-Y57 HydrophobicContact CB-CE1 3.64Å; P55-Y57 WeakPolarHBondContact CD-OH 3.37Å; P55-Y57 HydrophobicContact CG-CE1 3.87Å; P55-Y57 PolarHBondContact O-N 2.97Å; Y57-Y59 PolarHBondContact O-N 2.94Å; Y57-Y59 VanDerWaalsContact O-N 3.11Å; Y57-L60 HydrophobicContact CD1-CD1 4.08Å; Y57-L60 PolarHBondContact O-N 3.06Å; Y57-V61 WeakPolarHBondContact O-CG2 3.47Å; Y57-V61 PolarHBondContact O-N 3.23Å; Y57-L86 HydrophobicContact CD1-CD1 3.56Å; Y57-L86 HydrophobicContact CD2-CB 4.32Å; Y57-L86 HydrophobicContact CD2-CD1 3.63Å; Y57-L86 HydrophobicContact CE1-CD1 3.73Å; Y57-L86 HydrophobicContact CE2-CB 3.82Å; Y57-L86 HydrophobicContact CE2-CD1 3.81Å; Y57-L86 HydrophobicContact CE2-CG 4.45Å; Y57-L86 HydrophobicContact CG-CD1 3.5Å; Y57-L86 VanDerWaalsContact CG-CD1 3.5Å
58T97.3Very high95.1Very high52 Ų5246.6 Ų46.632%0.31925%0.246SC..Hα-helixtrans-48.3-43.8-177.4-65.50000112.6D56 V61 Q62 P436D56-T58 WeakPolarHBondContact OD1-CB 3.36Å; D56-T58 PolarHBondContact OD1-N 3.13Å; D56-T58 PolarHBondContact OD1-OG1 2.81Å; T58-V61 PolarHBondContact O-N 3.49Å; T58-Q62 HydrophobicContact CG2-CG 4.5Å; T58-Q62 WeakPolarHBondContact O-CB 3.48Å; T58-Q62 VanDerWaalsContact O-CG 3.29Å; T58-Q62 WeakPolarHBondContact O-CG 3.35Å; T58-Q62 PolarHBondContact O-N 3.33Å; T58-P436 HydrophobicContact CG2-CB 4.02Å; T58-P436 HydrophobicContact CG2-CG 4.48Å
59Y97.9Very high95.7Very high29 Ų2943.9 Ų43.911%0.11423%0.232CC..Hα-helixtrans-63.8-42.8178.6-173.4-101.2000112.9Y12 E28 I33 Y57 Q62 N63 I435Y12-Y59 HydrophobicContact CE1-CE1 4.5Å; Y12-Y59 HydrophobicContact CE2-CD1 4.26Å; Y12-Y59 HydrophobicContact CE2-CE1 4.27Å; Y12-Y59 AromaticContact CZ-CE1 3.82Å; Y12-Y59 WeakPolarHBondContact OH-CE1 3.41Å; E28-Y59 PolarHBondContact OE2-OH 3.17Å; I33-Y59 HydrophobicContact CD1-CE1 4.36Å; Y57-Y59 PolarHBondContact O-N 2.94Å; Y57-Y59 VanDerWaalsContact O-N 3.11Å; Y59-Q62 PolarHBondContact O-N 3.4Å; Y59-N63 WeakPolarHBondContact O-CB 3.27Å; Y59-N63 PolarHBondContact O-N 3.14Å; Y59-N63 VanDerWaalsContact O-N 3.16Å; Y59-N63 PolarHBondContact O-ND2 2.99Å; Y59-I435 HydrophobicContact CD1-CD1 4.01Å; Y59-I435 HydrophobicContact CD1-CG2 4.34Å; Y59-I435 HydrophobicContact CD2-CB 3.8Å; Y59-I435 HydrophobicContact CD2-CG2 3.62Å; Y59-I435 HydrophobicContact CE1-CG2 4.23Å; Y59-I435 HydrophobicContact CE2-CB 4.19Å; Y59-I435 HydrophobicContact CE2-CG2 3.47Å; Y59-I435 VanDerWaalsContact CE2-CG2 3.47Å; Y59-I435 HydrophobicContact CG-CB 3.97Å; Y59-I435 HydrophobicContact CG-CD1 4.1Å; Y59-I435 HydrophobicContact CG-CG2 4.04Å
60L98.2Very high96.2Very high0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-67.5-39.9178.6-61.6179.9000111.4L14 I33 I35 Y57 Q62 N63 Q64 I67 L86 L90L14-L60 HydrophobicContact CD1-CD1 3.45Å; L14-L60 VanDerWaalsContact CD1-CD1 3.45Å; L14-L60 HydrophobicContact CD1-CD2 4.17Å; L14-L60 HydrophobicContact CD1-CG 3.57Å; I33-L60 HydrophobicContact CG2-CD2 4.47Å; I35-L60 HydrophobicContact CD1-CD1 3.73Å; I35-L60 HydrophobicContact CD1-CD2 4.01Å; I35-L60 HydrophobicContact CD1-CG 4.43Å; I35-L60 HydrophobicContact CG1-CD1 4.39Å; I35-L60 HydrophobicContact CG1-CD2 4.19Å; Y57-L60 HydrophobicContact CD1-CD1 4.08Å; Y57-L60 PolarHBondContact O-N 3.06Å; L60-Q62 PolarHBondContact O-N 2.93Å; L60-N63 CarbonylContact O-C 3.55Å; L60-N63 VanDerWaalsContact O-C 3.29Å; L60-N63 PolarHBondContact O-N 3.21Å; L60-N63 VanDerWaalsContact O-N 3.15Å; L60-Q64 WeakPolarHBondContact O-CA 3.37Å; L60-Q64 PolarHBondContact O-N 3.45Å; L60-I67 HydrophobicContact CB-CD1 4.17Å; L60-L86 HydrophobicContact CD1-CD1 4.05Å; L60-L90 HydrophobicContact CB-CD1 3.78Å
61V97.8Very high96.7Very high49 Ų4941 Ų4130%0.29721%0.205SC..Hα-helixtrans-60.9-44.2175.2175.60000111.3Y57 T58 N63 Q89 L90Y57-V61 WeakPolarHBondContact O-CG2 3.47Å; Y57-V61 PolarHBondContact O-N 3.23Å; T58-V61 PolarHBondContact O-N 3.49Å; V61-N63 PolarHBondContact O-N 3.01Å; V61-Q89 HydrophobicContact CG2-CB 3.9Å; V61-L90 HydrophobicContact CG2-CD2 4.16Å; V61-L90 HydrophobicContact CG2-CG 4.27Å
62Q97.2Very high97.3Very high136 Ų13637.6 Ų37.664%0.63619%0.187SC*.Hα-helixtrans-67.3-20.3177-72174.2-3.600113.7T58 Y59 L60T58-Q62 HydrophobicContact CG2-CG 4.5Å; T58-Q62 WeakPolarHBondContact O-CB 3.48Å; T58-Q62 VanDerWaalsContact O-CG 3.29Å; T58-Q62 WeakPolarHBondContact O-CG 3.35Å; T58-Q62 PolarHBondContact O-N 3.33Å; Y59-Q62 PolarHBondContact O-N 3.4Å; L60-Q62 PolarHBondContact O-N 2.93Å
63N97.3Very high97.7Very high28 Ų2833.2 Ų33.215%0.1517%0.17CC..THydrogen-bonded Turntrans-120.624.4-176.6-68-87.9000112.5I33 Y59 L60 V61 D65 K66I33-N63 HydrophobicContact CD1-CB 3.83Å; Y59-N63 WeakPolarHBondContact O-CB 3.27Å; Y59-N63 PolarHBondContact O-N 3.14Å; Y59-N63 VanDerWaalsContact O-N 3.16Å; Y59-N63 PolarHBondContact O-ND2 2.99Å; L60-N63 CarbonylContact O-C 3.55Å; L60-N63 VanDerWaalsContact O-C 3.29Å; L60-N63 PolarHBondContact O-N 3.21Å; L60-N63 VanDerWaalsContact O-N 3.15Å; V61-N63 PolarHBondContact O-N 3.01Å; N63-D65 PolarHBondContact O-N 3.41Å; N63-D65 VanDerWaalsContact O-N 3.09Å; N63-K66 HydrophobicContact CB-CD 4.18Å; N63-K66 WeakPolarHBondContact O-CB 3.46Å; N63-K66 PolarHBondContact O-N 3.29Å; N63-K66 WeakPolarHBondContact OD1-CE 3.34Å; N63-K66 PolarHBondContact OD1-NZ 2.91Å
64Q97.2Very high97.9Very high96 Ų9633.1 Ų33.145%0.44917%0.169SC..G310 helixtrans-56.3-34.3-170.268.1-178.8-45.600113.8L60 K66 I67 L90L60-Q64 WeakPolarHBondContact O-CA 3.37Å; L60-Q64 PolarHBondContact O-N 3.45Å; Q64-K66 PolarHBondContact O-N 2.93Å; Q64-I67 PolarHBondContact O-N 2.88Å; Q64-I67 VanDerWaalsContact O-N 3.11Å; Q64-L90 HydrophobicContact CB-CD2 3.51Å
65D97.2Very high97.9Very high158 Ų15833.3 Ų33.385%0.84517%0.171SC*.G310 helixtrans-68.4-17.5-178.3-56.8-40.7000113N63N63-D65 PolarHBondContact O-N 3.41Å; N63-D65 VanDerWaalsContact O-N 3.09Å
66K97.8Very high97.7Very high58 Ų5834.3 Ų34.325%0.25218%0.176SC..G310 helixtrans-86.5-14.5176-58.5-177.1-176.9166.20112.9E28 D31 E32 I33 N63 Q64 V68E28-K66 IonicContact OE1-NZ 3.79Å; E28-K66 PolarHBondContact OE1-NZ 3.09Å; D31-K66 WeakPolarHBondContact O-CA 3.41Å; D31-K66 VanDerWaalsContact O-CB 3.31Å; D31-K66 WeakPolarHBondContact O-CB 3.32Å; E32-K66 CarbonylContact C-O 3.33Å; E32-K66 VanDerWaalsContact CA-O 3.29Å; E32-K66 WeakPolarHBondContact CA-O 3.47Å; I33-K66 HydrophobicContact CD1-CB 3.97Å; I33-K66 HydrophobicContact CD1-CD 4.07Å; I33-K66 HydrophobicContact CG1-CB 3.92Å; I33-K66 HydrophobicContact CG1-CD 4.32Å; I33-K66 PolarHBondContact N-O 3.35Å; N63-K66 HydrophobicContact CB-CD 4.18Å; N63-K66 WeakPolarHBondContact O-CB 3.46Å; N63-K66 PolarHBondContact O-N 3.29Å; N63-K66 WeakPolarHBondContact OD1-CE 3.34Å; N63-K66 PolarHBondContact OD1-NZ 2.91Å; Q64-K66 PolarHBondContact O-N 2.93Å; K66-V68 PolarHBondContact O-N 3.3Å
67I98.6Very high97.5Very high18 Ų1835.7 Ų35.79%0.09218%0.181CC..EExtended strand (participates in β ladder)trans-74.9115.2-169.7-59.5169.8000109.8I33 I35 L60 Q64 L90 I92I33-I67 HydrophobicContact CB-CG1 4.45Å; I33-I67 WeakPolarHBondContact O-CA 3.45Å; I35-I67 HydrophobicContact CD1-CD1 3.99Å; I35-I67 HydrophobicContact CD1-CG1 4.28Å; I35-I67 HydrophobicContact CD1-CG2 3.7Å; I35-I67 HydrophobicContact CG1-CG2 4.29Å; L60-I67 HydrophobicContact CB-CD1 4.17Å; Q64-I67 PolarHBondContact O-N 2.88Å; Q64-I67 VanDerWaalsContact O-N 3.11Å; I67-L90 HydrophobicContact CD1-CD1 3.88Å; I67-L90 HydrophobicContact CD1-CD2 4.41Å; I67-I92 HydrophobicContact CB-CG2 4.03Å; I67-I92 HydrophobicContact CD1-CG2 4.22Å; I67-I92 HydrophobicContact CG2-CB 4.23Å; I67-I92 HydrophobicContact CG2-CD1 4Å; I67-I92 HydrophobicContact CG2-CG2 3.78Å
68V98.5Very high97.3Very high28 Ų2837 Ų3717%0.1719%0.188CC..EExtended strand (participates in β ladder)trans-70.7-42.4175.1175.70000110.5E32 I33 V34 K66 P93 F133 I135E32-V68 HydrophobicContact CB-CG2 3.77Å; E32-V68 HydrophobicContact CG-CG2 3.95Å; I33-V68 PolarHBondContact O-N 2.97Å; V34-V68 HydrophobicContact CG2-CB 4.36Å; K66-V68 PolarHBondContact O-N 3.3Å; V68-P93 VanDerWaalsContact O-CG 3.32Å; V68-P93 WeakPolarHBondContact O-CG 3.39Å; V68-F133 HydrophobicContact CG2-CD2 4.26Å; V68-I135 HydrophobicContact CG1-CD1 4.46Å
69G98.6Very high97.4Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans169.6170.5178.800000113.1I35 P93I35-G69 PolarHBondContact N-O 3.18Å; I35-G69 VanDerWaalsContact N-O 3.11Å; G69-P93 WeakPolarHBondContact CA-O 3.5Å
70L98.9Very high97.4Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-100.3122.8171173.663.5000109.5I35 D37 A38 I72 V83 L86 I92 P93 I94 Y95I35-L70 HydrophobicContact CB-CD1 3.94Å; I35-L70 HydrophobicContact CG2-CD1 3.55Å; D37-L70 WeakPolarHBondContact O-CD1 3.28Å; A38-L70 HydrophobicContact CB-CD1 4.11Å; A38-L70 HydrophobicContact CB-CD2 3.98Å; L70-I72 HydrophobicContact CD1-CD1 4.09Å; L70-I72 HydrophobicContact CD2-CD1 3.86Å; L70-I72 HydrophobicContact CG-CD1 3.74Å; L70-I72 HydrophobicContact CG-CG1 4.48Å; L70-V83 HydrophobicContact CD2-CG2 3.94Å; L70-L86 HydrophobicContact CD2-CD2 4.06Å; L70-I92 HydrophobicContact CB-CD1 3.95Å; L70-P93 PolarHBondContact N-O 2.67Å; L70-I94 HydrophobicContact CB-CG1 4.37Å; L70-I94 HydrophobicContact CD2-CD1 4.49Å; L70-I94 HydrophobicContact CD2-CG1 4.19Å; L70-I94 HydrophobicContact CD2-CG2 4.42Å; L70-I94 CarbonylContact O-C 3.46Å; L70-I94 WeakPolarHBondContact O-CA 3.29Å; L70-Y95 PolarHBondContact O-N 2.86Å
71F98.9Very high97.2Very high1 Ų133.5 Ų33.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-110.6123.5-179.5-62.9-95.7000109.6V34 I35 I36 D37 Y95 I128 I135 F137V34-F71 HydrophobicContact CG1-CD2 3.65Å; V34-F71 HydrophobicContact CG1-CE2 3.86Å; V34-F71 HydrophobicContact CG2-CE2 4.29Å; I35-F71 PolarHBondContact O-N 3.01Å; I36-F71 WeakPolarHBondContact CA-O 3.49Å; D37-F71 PolarHBondContact N-O 3.19Å; F71-Y95 CarbonylContact C-O 3.46Å; F71-Y95 WeakPolarHBondContact CA-O 3.35Å; F71-Y95 HydrophobicContact CD1-CD2 4.13Å; F71-Y95 HydrophobicContact CD1-CG 4.04Å; F71-Y95 HydrophobicContact CE1-CD1 4.46Å; F71-Y95 AromaticContact CE1-CD2 3.73Å; F71-Y95 HydrophobicContact CE1-CD2 3.73Å; F71-Y95 HydrophobicContact CE1-CE2 4.41Å; F71-Y95 AromaticContact CE1-CG 3.78Å; F71-Y95 HydrophobicContact CE1-CG 3.78Å; F71-Y95 HydrophobicContact CE2-CD2 4.38Å; F71-Y95 AromaticContact CZ-CD2 3.88Å; F71-Y95 HydrophobicContact CZ-CD2 3.88Å; F71-Y95 HydrophobicContact CZ-CE2 4.23Å; F71-Y95 HydrophobicContact CZ-CG 4.38Å; F71-I128 HydrophobicContact CE1-CB 4.14Å; F71-I128 HydrophobicContact CE1-CD1 4.27Å; F71-I128 HydrophobicContact CE1-CG1 4.07Å; F71-I128 HydrophobicContact CE1-CG2 4.35Å; F71-I128 HydrophobicContact CZ-CB 4.37Å; F71-I128 HydrophobicContact CZ-CG2 4.14Å; F71-I135 HydrophobicContact CD1-CG2 3.79Å; F71-I135 HydrophobicContact CE1-CB 3.98Å; F71-I135 HydrophobicContact CE1-CG1 4.31Å; F71-I135 HydrophobicContact CE1-CG2 3.66Å; F71-I135 HydrophobicContact CE2-CD1 4.5Å; F71-I135 HydrophobicContact CE2-CG1 4.22Å; F71-I135 HydrophobicContact CG-CG2 4.28Å; F71-I135 HydrophobicContact CZ-CB 4.04Å; F71-I135 HydrophobicContact CZ-CD1 4.01Å; F71-I135 HydrophobicContact CZ-CG1 3.87Å; F71-I135 HydrophobicContact CZ-CG2 4.04Å; F71-F137 AromaticContact CD1-CE1 3.95Å; F71-F137 HydrophobicContact CD1-CE1 3.95Å; F71-F137 AromaticContact CD1-CZ 3.74Å; F71-F137 HydrophobicContact CD1-CZ 3.74Å; F71-F137 HydrophobicContact CE1-CZ 4.12Å
72I98.9Very high97.2Very high3 Ų331.1 Ų31.12%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-101.6121-173.5-56.5-60.2000109.6D37 L70 H74 I80 V83 I94 Y95 A100 I104D37-I72 WeakPolarHBondContact OD1-CA 3.35Å; L70-I72 HydrophobicContact CD1-CD1 4.09Å; L70-I72 HydrophobicContact CD2-CD1 3.86Å; L70-I72 HydrophobicContact CG-CD1 3.74Å; L70-I72 HydrophobicContact CG-CG1 4.48Å; I72-H74 VanDerWaalsContact CG2-O 3.24Å; I72-H74 WeakPolarHBondContact CG2-O 3.43Å; I72-I80 HydrophobicContact CD1-CG2 4.47Å; I72-I80 HydrophobicContact CG2-CG2 3.52Å; I72-V83 HydrophobicContact CD1-CG2 4.23Å; I72-I94 HydrophobicContact CG1-CG2 3.87Å; I72-Y95 PolarHBondContact N-O 3.27Å; I72-A100 HydrophobicContact CG2-CB 3.8Å; I72-I104 HydrophobicContact CD1-CD1 4.25Å; I72-I104 HydrophobicContact CG1-CD1 3.83Å; I72-I104 HydrophobicContact CG2-CD1 4.38Å
73T98.8Very high97.2Very high1 Ų124.7 Ų24.71%0.00613%0.126CC..SBendtrans-71.8-44.4178.9630000111.1I36 D37 T147 Y148 V150I36-T73 HydrophobicContact CG2-CG2 3.64Å; D37-T73 VanDerWaalsContact CG-OG1 3.28Å; D37-T73 PolarHBondContact OD1-N 3.27Å; D37-T73 PolarHBondContact OD1-OG1 2.7Å; D37-T73 VanDerWaalsContact OD1-OG1 3.13Å; D37-T73 WeakPolarHBondContact OD2-CB 3.44Å; D37-T73 VanDerWaalsContact OD2-CG2 3.23Å; D37-T73 WeakPolarHBondContact OD2-CG2 3.08Å; D37-T73 PolarHBondContact OD2-OG1 3.27Å; T73-T147 WeakPolarHBondContact O-CA 3.45Å; T73-Y148 WeakPolarHBondContact CB-O 3.17Å; T73-Y148 PolarHBondContact O-N 2.76Å; T73-V150 HydrophobicContact CG2-CG2 4.05Å
74H98.1Very high97.2Very high1 Ų123.4 Ų23.41%0.00512%0.119CC..  trans-164.1176.4179.669.6-74.3000112.7I72 H76 H79 I80 H142 I144 T147 D164I72-H74 VanDerWaalsContact CG2-O 3.24Å; I72-H74 WeakPolarHBondContact CG2-O 3.43Å; H74-H76 AromaticContact CD2-CG 3.48Å; H74-H76 VanDerWaalsContact CD2-CG 3.48Å; H74-H76 AromaticContact CD2-ND1 3.33Å; H74-H76 PolarHBondContact CD2-ND1 3.08Å; H74-H76 VanDerWaalsContact CD2-ND1 3.33Å; H74-H76 WeakPolarHBondContact NE2-CB 3.43Å; H74-H76 AromaticContact NE2-CG 3.39Å; H74-H76 AromaticContact NE2-ND1 2.98Å; H74-H76 PolarHBondContact NE2-ND1 3.49Å; H74-H79 AromaticContact CE1-CD2 3.16Å; H74-H79 PolarHBondContact CE1-CD2 2.89Å; H74-H79 AromaticContact CE1-CE1 3.41Å; H74-H79 PolarHBondContact CE1-CE1 2.84Å; H74-H79 VanDerWaalsContact CE1-CE1 3.41Å; H74-H79 AromaticContact CE1-CG 3.29Å; H74-H79 AromaticContact CE1-ND1 3.43Å; H74-H79 PolarHBondContact CE1-ND1 2.96Å; H74-H79 AromaticContact CE1-NE2 3.28Å; H74-H79 PolarHBondContact CE1-NE2 2.9Å; H74-H79 VanDerWaalsContact CE1-NE2 3.28Å; H74-H79 AromaticContact ND1-CG 3.82Å; H74-H79 AromaticContact ND1-ND1 3.86Å; H74-H79 AromaticContact NE2-CD2 3.44Å; H74-H79 PolarHBondContact NE2-CD2 3.2Å; H74-H79 AromaticContact NE2-CG 3.86Å; H74-H79 AromaticContact NE2-NE2 3.81Å; H74-I80 WeakPolarHBondContact O-CG2 3.42Å; H74-H142 AromaticContact CD2-CD2 3.76Å; H74-H142 AromaticContact NE2-CD2 3.65Å; H74-H142 AromaticContact NE2-NE2 3.74Å; H74-I144 HydrophobicContact CB-CG2 3.89Å; H74-T147 HydrophobicContact CB-CG2 3.43Å; H74-T147 VanDerWaalsContact CB-CG2 3.43Å; H74-D164 IonicContact CE1-OD2 2.74Å; H74-D164 IonicContact NE2-OD2 2.73Å
75G96.1Very high97.1Very high4 Ų419.3 Ų19.34%0.04110%0.1CC..  trans-92.519.3-168.500000117.8I80 L103G75-I80 WeakPolarHBondContact O-CD1 3.29Å; G75-L103 WeakPolarHBondContact O-CD1 3.33Å
76H94Very high97.1Very high21 Ų2111.8 Ų11.810%0.0976%0.06CC..  trans-78152.1176.4-72.9155.6000113.1H74 D78 H79 I80 H142 S143 S233H74-H76 AromaticContact CD2-CG 3.48Å; H74-H76 VanDerWaalsContact CD2-CG 3.48Å; H74-H76 AromaticContact CD2-ND1 3.33Å; H74-H76 PolarHBondContact CD2-ND1 3.08Å; H74-H76 VanDerWaalsContact CD2-ND1 3.33Å; H74-H76 WeakPolarHBondContact NE2-CB 3.43Å; H74-H76 AromaticContact NE2-CG 3.39Å; H74-H76 AromaticContact NE2-ND1 2.98Å; H74-H76 PolarHBondContact NE2-ND1 3.49Å; H76-D78 VanDerWaalsContact C-N 3.26Å; H76-D78 WeakPolarHBondContact CB-OD1 3.27Å; H76-D78 PolarHBondContact O-N 3.14Å; H76-H79 CarbonylContact O-C 3.59Å; H76-H79 WeakPolarHBondContact O-CA 2.95Å; H76-H79 PolarHBondContact O-N 3.25Å; H76-I80 WeakPolarHBondContact O-CG1 3.45Å; H76-I80 PolarHBondContact O-N 3.24Å; H76-H142 AromaticContact CE1-CD2 3.62Å; H76-H142 AromaticContact CE1-NE2 3.17Å; H76-H142 PolarHBondContact CE1-NE2 2.87Å; H76-H142 AromaticContact ND1-CD2 3.73Å; H76-H142 AromaticContact ND1-NE2 3.25Å; H76-H142 PolarHBondContact ND1-NE2 2.96Å; H76-S143 PolarHBondContact CE1-OG 3.11Å; H76-S233 PolarHBondContact CD2-OG 3Å
77E91.7Very high97.1Very high66 Ų669.9 Ų9.931%0.3085%0.052SC..Hα-helixtrans-57.5-38-176.7-70.1-61.1154.100113.4I40 F42 H79 I80 G81 K107I40-E77 HydrophobicContact CD1-CB 4.18Å; I40-E77 HydrophobicContact CG1-CB 4.09Å; I40-E77 VanDerWaalsContact CG1-O 3.31Å; I40-E77 WeakPolarHBondContact CG1-O 3.39Å; I40-E77 PolarHBondContact N-O 2.9Å; F42-E77 HydrophobicContact CE2-CB 4.46Å; F42-E77 HydrophobicContact CZ-CB 4.35Å; F42-E77 HydrophobicContact CZ-CG 4.48Å; E77-H79 PolarHBondContact O-N 3.41Å; E77-H79 VanDerWaalsContact O-N 3.17Å; E77-I80 PolarHBondContact O-N 2.8Å; E77-G81 WeakPolarHBondContact O-CA 3.49Å; E77-G81 PolarHBondContact O-N 3.01Å; E77-K107 VanDerWaalsContact OE1-CE 3.26Å; E77-K107 WeakPolarHBondContact OE1-CE 3.46Å; E77-K107 IonicContact OE1-NZ 2.86Å; E77-K107 PolarHBondContact OE1-NZ 3.47Å; E77-K107 WeakPolarHBondContact OE2-CE 3.35Å; E77-K107 IonicContact OE2-NZ 3.99Å; E77-K107 PolarHBondContact OE2-NZ 2.79Å
78D95.2Very high96.9Very high29 Ų2913.7 Ų13.716%0.1557%0.068CC..Hα-helixtrans-71.1-0174.853.8-32.2000114.8N23 G39 I40 H76 H390N23-D78 VanDerWaalsContact CB-O 3.28Å; N23-D78 WeakPolarHBondContact CB-O 3.32Å; N23-D78 PolarHBondContact N-O 3.46Å; N23-D78 PolarHBondContact ND2-O 3.01Å; G39-D78 WeakPolarHBondContact CA-O 3.4Å; I40-D78 VanDerWaalsContact O-CA 3.29Å; I40-D78 WeakPolarHBondContact O-CA 3.35Å; H76-D78 VanDerWaalsContact C-N 3.26Å; H76-D78 WeakPolarHBondContact CB-OD1 3.27Å; H76-D78 PolarHBondContact O-N 3.14Å; D78-H390 IonicContact OD2-CE1 3.94Å; D78-H390 IonicContact OD2-NE2 3.07Å; D78-H390 PolarHBondContact OD2-NE2 3.1Å
79H98.2Very high96.8Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-123.2-25.4173.1-64.8-100.9000113.1N23 D37 A38 H74 H76 E77 D164N23-H79 PolarHBondContact ND2-CE1 3.42Å; N23-H79 PolarHBondContact ND2-NE2 2.83Å; D37-H79 HydrophobicContact CB-CB 4.08Å; D37-H79 IonicContact OD2-CE1 3.65Å; D37-H79 IonicContact OD2-CG 3.84Å; D37-H79 IonicContact OD2-ND1 3.38Å; D37-H79 PolarHBondContact OD2-ND1 3.36Å; A38-H79 CarbonylContact C-O 3.53Å; A38-H79 PolarHBondContact N-O 3Å; H74-H79 AromaticContact CE1-CD2 3.16Å; H74-H79 PolarHBondContact CE1-CD2 2.89Å; H74-H79 AromaticContact CE1-CE1 3.41Å; H74-H79 PolarHBondContact CE1-CE1 2.84Å; H74-H79 VanDerWaalsContact CE1-CE1 3.41Å; H74-H79 AromaticContact CE1-CG 3.29Å; H74-H79 AromaticContact CE1-ND1 3.43Å; H74-H79 PolarHBondContact CE1-ND1 2.96Å; H74-H79 AromaticContact CE1-NE2 3.28Å; H74-H79 PolarHBondContact CE1-NE2 2.9Å; H74-H79 VanDerWaalsContact CE1-NE2 3.28Å; H74-H79 AromaticContact ND1-CG 3.82Å; H74-H79 AromaticContact ND1-ND1 3.86Å; H74-H79 AromaticContact NE2-CD2 3.44Å; H74-H79 PolarHBondContact NE2-CD2 3.2Å; H74-H79 AromaticContact NE2-CG 3.86Å; H74-H79 AromaticContact NE2-NE2 3.81Å; H76-H79 CarbonylContact O-C 3.59Å; H76-H79 WeakPolarHBondContact O-CA 2.95Å; H76-H79 PolarHBondContact O-N 3.25Å; E77-H79 PolarHBondContact O-N 3.41Å; E77-H79 VanDerWaalsContact O-N 3.17Å; H79-D164 IonicContact CE1-OD1 3Å; H79-D164 PolarHBondContact CE1-OD1 3.08Å; H79-D164 IonicContact CE1-OD2 2.73Å; H79-D164 IonicContact NE2-OD1 2.74Å; H79-D164 PolarHBondContact NE2-OD1 3.18Å; H79-D164 IonicContact NE2-OD2 3.47Å; H79-D164 PolarHBondContact NE2-OD2 3.24Å; H79-D164 VanDerWaalsContact NE2-OD2 3.17Å
80I97.5Very high96.6Very high1 Ų116.7 Ų16.71%0.0058%0.081CC..Hα-helixtrans-122.3-16.1-177.270.8161.7000115.2A38 I72 H74 G75 H76 E77 G82 V83 L103 I104 K107A38-I80 CarbonylContact O-C 3.52Å; I72-I80 HydrophobicContact CD1-CG2 4.47Å; I72-I80 HydrophobicContact CG2-CG2 3.52Å; H74-I80 WeakPolarHBondContact O-CG2 3.42Å; G75-I80 WeakPolarHBondContact O-CD1 3.29Å; H76-I80 WeakPolarHBondContact O-CG1 3.45Å; H76-I80 PolarHBondContact O-N 3.24Å; E77-I80 PolarHBondContact O-N 2.8Å; I80-G82 PolarHBondContact O-N 3Å; I80-V83 HydrophobicContact CB-CG2 4.41Å; I80-V83 VanDerWaalsContact O-CB 3.27Å; I80-V83 WeakPolarHBondContact O-CB 3.35Å; I80-V83 WeakPolarHBondContact O-CG2 3.47Å; I80-V83 PolarHBondContact O-N 3.07Å; I80-V83 VanDerWaalsContact O-N 3.14Å; I80-L103 HydrophobicContact CD1-CB 3.65Å; I80-I104 HydrophobicContact CB-CD1 4.1Å; I80-I104 HydrophobicContact CB-CG1 3.83Å; I80-I104 HydrophobicContact CD1-CG1 3.88Å; I80-I104 HydrophobicContact CG1-CG1 4.42Å; I80-I104 HydrophobicContact CG2-CD1 3.93Å; I80-I104 HydrophobicContact CG2-CG1 4.13Å; I80-K107 HydrophobicContact CD1-CD 4.24Å; I80-K107 HydrophobicContact CG1-CD 4.49Å
81G95.3Very high96.4Very high5 Ų521.8 Ų21.85%0.05211%0.108CC..THydrogen-bonded Turntrans-70.1-19.7-172.100000113.3I40 E77 P84I40-G81 WeakPolarHBondContact CG2-O 3.49Å; E77-G81 WeakPolarHBondContact O-CA 3.49Å; E77-G81 PolarHBondContact O-N 3.01Å; G81-P84 WeakPolarHBondContact O-CD 3.26Å
82G97.1Very high96.3Very high0 Ų022.1 Ų22.10%011%0.11CC..THydrogen-bonded Turntrans-80.7-15.417500000113.7A38 G39 I80 F85 L86A38-G82 CarbonylContact O-C 3.58Å; A38-G82 WeakPolarHBondContact O-CA 3.46Å; A38-G82 PolarHBondContact O-N 3.15Å; G39-G82 WeakPolarHBondContact O-CA 3.47Å; I80-G82 PolarHBondContact O-N 3Å; G82-F85 WeakPolarHBondContact O-CB 3.37Å; G82-F85 PolarHBondContact O-N 2.89Å; G82-L86 PolarHBondContact O-N 2.85Å
83V98.2Very high96.3Very high0 Ų023.4 Ų23.40%012%0.118CC..Hα-helixtrans-54.3-47.6-176.5174.80000112.9A38 L70 I72 I80 F85 L86 L87 I94 I104 L108A38-V83 HydrophobicContact CB-CG2 3.93Å; A38-V83 PolarHBondContact O-N 3.42Å; A38-V83 VanDerWaalsContact O-N 3.15Å; L70-V83 HydrophobicContact CD2-CG2 3.94Å; I72-V83 HydrophobicContact CD1-CG2 4.23Å; I80-V83 HydrophobicContact CB-CG2 4.41Å; I80-V83 VanDerWaalsContact O-CB 3.27Å; I80-V83 WeakPolarHBondContact O-CB 3.35Å; I80-V83 WeakPolarHBondContact O-CG2 3.47Å; I80-V83 PolarHBondContact O-N 3.07Å; I80-V83 VanDerWaalsContact O-N 3.14Å; V83-F85 VanDerWaalsContact C-N 3.26Å; V83-F85 PolarHBondContact O-N 2.75Å; V83-L86 PolarHBondContact O-N 2.99Å; V83-L87 HydrophobicContact CG1-CD1 4.27Å; V83-L87 HydrophobicContact CG1-CG 4.35Å; V83-L87 WeakPolarHBondContact O-CB 3.41Å; V83-L87 PolarHBondContact O-N 3.2Å; V83-I94 HydrophobicContact CG1-CD1 3.56Å; V83-I104 HydrophobicContact CG1-CG2 4.04Å; V83-I104 HydrophobicContact CG2-CD1 4.29Å; V83-L108 HydrophobicContact CG1-CD2 4.42Å
84P96.3Very high96.3Very high1 Ų123.3 Ų23.31%0.00612%0.118CC..Hα-helixtrans-62.4-34.3178.9-21.834.4000112.8G81 K88 K107 L108 H111 L113G81-P84 WeakPolarHBondContact O-CD 3.26Å; P84-K88 WeakPolarHBondContact O-CG 3.44Å; P84-K88 PolarHBondContact O-N 3.18Å; P84-K107 HydrophobicContact CG-CB 3.92Å; P84-L108 HydrophobicContact CB-CD2 4.31Å; P84-L108 HydrophobicContact CG-CD2 4.27Å; P84-H111 HydrophobicContact CB-CB 4.01Å; P84-H111 WeakPolarHBondContact CB-CD2 3.36Å; P84-L113 HydrophobicContact CB-CD1 4.18Å; P84-L113 WeakPolarHBondContact O-CD1 3.45Å
85F96.3Very high96.3Very high10 Ų1025.4 Ų25.44%0.04413%0.126CC..Hα-helixtrans-75-37.7179.6-57.3-85.1000112I40 I54 G82 V83 K88 V442 I447I40-F85 HydrophobicContact CG2-CE2 4.28Å; I54-F85 HydrophobicContact CD1-CB 3.53Å; I54-F85 HydrophobicContact CD1-CD1 4.13Å; I54-F85 HydrophobicContact CD1-CG 3.88Å; I54-F85 HydrophobicContact CG2-CD2 4.01Å; I54-F85 HydrophobicContact CG2-CE2 4.44Å; I54-F85 HydrophobicContact CG2-CG 4.25Å; G82-F85 WeakPolarHBondContact O-CB 3.37Å; G82-F85 PolarHBondContact O-N 2.89Å; V83-F85 VanDerWaalsContact C-N 3.26Å; V83-F85 PolarHBondContact O-N 2.75Å; F85-K88 PolarHBondContact O-N 3.4Å; F85-V442 HydrophobicContact CD1-CG2 4.19Å; F85-V442 HydrophobicContact CE1-CB 4.43Å; F85-V442 HydrophobicContact CE1-CG1 3.66Å; F85-V442 HydrophobicContact CE1-CG2 3.89Å; F85-V442 HydrophobicContact CZ-CG1 3.95Å; F85-V442 HydrophobicContact CZ-CG2 4.33Å; F85-I447 HydrophobicContact CD1-CD1 3.67Å; F85-I447 HydrophobicContact CD1-CG1 3.94Å; F85-I447 HydrophobicContact CE1-CD1 4.13Å; F85-I447 HydrophobicContact CE1-CG1 4.12Å
86L97.2Very high96.5Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-61.6-47.4171.3-17568.9000110.4A38 Y57 L60 L70 G82 V83 K88 Q89 L90 I92A38-L86 HydrophobicContact CB-CD2 3.93Å; Y57-L86 HydrophobicContact CD1-CD1 3.56Å; Y57-L86 HydrophobicContact CD2-CB 4.32Å; Y57-L86 HydrophobicContact CD2-CD1 3.63Å; Y57-L86 HydrophobicContact CE1-CD1 3.73Å; Y57-L86 HydrophobicContact CE2-CB 3.82Å; Y57-L86 HydrophobicContact CE2-CD1 3.81Å; Y57-L86 HydrophobicContact CE2-CG 4.45Å; Y57-L86 HydrophobicContact CG-CD1 3.5Å; Y57-L86 VanDerWaalsContact CG-CD1 3.5Å; L60-L86 HydrophobicContact CD1-CD1 4.05Å; L70-L86 HydrophobicContact CD2-CD2 4.06Å; G82-L86 PolarHBondContact O-N 2.85Å; V83-L86 PolarHBondContact O-N 2.99Å; L86-K88 PolarHBondContact O-N 2.79Å; L86-Q89 PolarHBondContact O-N 2.79Å; L86-L90 HydrophobicContact CD1-CD1 3.62Å; L86-L90 HydrophobicContact CG-CD1 4.2Å; L86-L90 PolarHBondContact O-N 3.24Å; L86-I92 HydrophobicContact CD2-CD1 4.14Å
87L96.9Very high96.6Very high19 Ų1924.2 Ų24.210%0.09912%0.119CC..Hα-helixtrans-69.1-16-178.5-76.4-169.6000114.8V83 Q89 L90 I92 I94 L108 L113 A117V83-L87 HydrophobicContact CG1-CD1 4.27Å; V83-L87 HydrophobicContact CG1-CG 4.35Å; V83-L87 WeakPolarHBondContact O-CB 3.41Å; V83-L87 PolarHBondContact O-N 3.2Å; L87-Q89 PolarHBondContact O-N 2.95Å; L87-L90 CarbonylContact C-O 3.4Å; L87-L90 VanDerWaalsContact CA-O 3.23Å; L87-L90 WeakPolarHBondContact CA-O 3.37Å; L87-L90 WeakPolarHBondContact CD2-O 3.44Å; L87-L90 VanDerWaalsContact O-O 3.07Å; L87-I92 HydrophobicContact CD2-CG1 4.15Å; L87-I94 HydrophobicContact CD1-CD1 3.67Å; L87-I94 HydrophobicContact CD2-CD1 4.38Å; L87-I94 HydrophobicContact CG-CD1 4.22Å; L87-L108 HydrophobicContact CD1-CD1 4.21Å; L87-L108 HydrophobicContact CD1-CD2 3.78Å; L87-L113 HydrophobicContact CB-CD1 4.24Å; L87-A117 HydrophobicContact CD1-CB 3.86Å
88K95.1Very high96.9Very high98 Ų9822 Ų2243%0.42611%0.11SC..THydrogen-bonded Turntrans-69.5-22.7168.4-76.9174.4179.2-178.40112.6P84 F85 L86 L113 I447P84-K88 WeakPolarHBondContact O-CG 3.44Å; P84-K88 PolarHBondContact O-N 3.18Å; F85-K88 PolarHBondContact O-N 3.4Å; L86-K88 PolarHBondContact O-N 2.79Å; K88-L113 HydrophobicContact CG-CD1 4Å; K88-L113 HydrophobicContact CG-CD2 4.42Å; K88-I447 HydrophobicContact CD-CD1 3.7Å
89Q95.3Very high96.9Very high85 Ų8520.6 Ų20.640%0.39710%0.103SC..THydrogen-bonded Turntrans-108.7-23.7-176.9-59.9-178.45700112.5V61 L86 L87V61-Q89 HydrophobicContact CG2-CB 3.9Å; L86-Q89 PolarHBondContact O-N 2.79Å; L87-Q89 PolarHBondContact O-N 2.95Å
90L95.7Very high96.9Very high6 Ų620.8 Ų20.83%0.03111%0.105CC..  trans-135.1145.9-174.1-66.1175.3000111.2L60 V61 Q64 I67 L86 L87 I92L60-L90 HydrophobicContact CB-CD1 3.78Å; V61-L90 HydrophobicContact CG2-CD2 4.16Å; V61-L90 HydrophobicContact CG2-CG 4.27Å; Q64-L90 HydrophobicContact CB-CD2 3.51Å; I67-L90 HydrophobicContact CD1-CD1 3.88Å; I67-L90 HydrophobicContact CD1-CD2 4.41Å; L86-L90 HydrophobicContact CD1-CD1 3.62Å; L86-L90 HydrophobicContact CG-CD1 4.2Å; L86-L90 PolarHBondContact O-N 3.24Å; L87-L90 CarbonylContact C-O 3.4Å; L87-L90 VanDerWaalsContact CA-O 3.23Å; L87-L90 WeakPolarHBondContact CA-O 3.37Å; L87-L90 WeakPolarHBondContact CD2-O 3.44Å; L87-L90 VanDerWaalsContact O-O 3.07Å; L90-I92 HydrophobicContact CB-CG2 4.38Å
91N93.6Very high96.9Very high107 Ų10721 Ų2157%0.57211%0.106SC*.  trans-116.984.6173.4-172.922.5000110.9
92I97.5Very high96.9Very high8 Ų821 Ų214%0.04111%0.106CC..  trans-119.9151.8-172.858.3173.8000111.4I35 I67 L70 L86 L87 L90I35-I92 HydrophobicContact CD1-CD1 3.92Å; I67-I92 HydrophobicContact CB-CG2 4.03Å; I67-I92 HydrophobicContact CD1-CG2 4.22Å; I67-I92 HydrophobicContact CG2-CB 4.23Å; I67-I92 HydrophobicContact CG2-CD1 4Å; I67-I92 HydrophobicContact CG2-CG2 3.78Å; L70-I92 HydrophobicContact CB-CD1 3.95Å; L86-I92 HydrophobicContact CD2-CD1 4.14Å; L87-I92 HydrophobicContact CD2-CG1 4.15Å; L90-I92 HydrophobicContact CB-CG2 4.38Å
93P98.3Very high96.9Very high29 Ų2921.5 Ų21.519%0.18811%0.109CC..EExtended strand (participates in β ladder)trans-68.8140.5173.430-34000111.1V68 G69 L70 Y95 K118V68-P93 VanDerWaalsContact O-CG 3.32Å; V68-P93 WeakPolarHBondContact O-CG 3.39Å; G69-P93 WeakPolarHBondContact CA-O 3.5Å; L70-P93 PolarHBondContact N-O 2.67Å; P93-Y95 HydrophobicContact CB-CE2 3.78Å; P93-Y95 HydrophobicContact CG-CE2 3.93Å; P93-K118 HydrophobicContact CB-CB 4.43Å
94I98.8Very high96.8Very high0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-110.5133.3177-55.9173.7000108.1L70 I72 V83 L87 L101 I104 K118 L119 N120L70-I94 HydrophobicContact CB-CG1 4.37Å; L70-I94 HydrophobicContact CD2-CD1 4.49Å; L70-I94 HydrophobicContact CD2-CG1 4.19Å; L70-I94 HydrophobicContact CD2-CG2 4.42Å; L70-I94 CarbonylContact O-C 3.46Å; L70-I94 WeakPolarHBondContact O-CA 3.29Å; I72-I94 HydrophobicContact CG1-CG2 3.87Å; V83-I94 HydrophobicContact CG1-CD1 3.56Å; L87-I94 HydrophobicContact CD1-CD1 3.67Å; L87-I94 HydrophobicContact CD2-CD1 4.38Å; L87-I94 HydrophobicContact CG-CD1 4.22Å; I94-L101 HydrophobicContact CG2-CD2 4.05Å; I94-I104 HydrophobicContact CG2-CD1 4.41Å; I94-K118 PolarHBondContact N-O 2.79Å; I94-L119 HydrophobicContact CB-CD2 4.01Å; I94-L119 HydrophobicContact CD1-CD2 3.85Å; I94-L119 HydrophobicContact CG1-CD2 4.41Å; I94-L119 HydrophobicContact CG2-CD2 4.41Å; I94-N120 WeakPolarHBondContact O-CB 3.42Å; I94-N120 PolarHBondContact O-N 3.07Å; I94-N120 PolarHBondContact O-ND2 3.07Å; I94-N120 VanDerWaalsContact O-ND2 3.12Å
95Y98.9Very high96.8Very high44 Ų4426.9 Ų26.917%0.17313%0.129CC..EExtended strand (participates in β ladder)trans-119.4130.3176.8-61.7-92.2000108.9L70 F71 I72 P93 N120 I122 I128L70-Y95 PolarHBondContact O-N 2.86Å; F71-Y95 CarbonylContact C-O 3.46Å; F71-Y95 WeakPolarHBondContact CA-O 3.35Å; F71-Y95 HydrophobicContact CD1-CD2 4.13Å; F71-Y95 HydrophobicContact CD1-CG 4.04Å; F71-Y95 HydrophobicContact CE1-CD1 4.46Å; F71-Y95 AromaticContact CE1-CD2 3.73Å; F71-Y95 HydrophobicContact CE1-CD2 3.73Å; F71-Y95 HydrophobicContact CE1-CE2 4.41Å; F71-Y95 AromaticContact CE1-CG 3.78Å; F71-Y95 HydrophobicContact CE1-CG 3.78Å; F71-Y95 HydrophobicContact CE2-CD2 4.38Å; F71-Y95 AromaticContact CZ-CD2 3.88Å; F71-Y95 HydrophobicContact CZ-CD2 3.88Å; F71-Y95 HydrophobicContact CZ-CE2 4.23Å; F71-Y95 HydrophobicContact CZ-CG 4.38Å; I72-Y95 PolarHBondContact N-O 3.27Å; P93-Y95 HydrophobicContact CB-CE2 3.78Å; P93-Y95 HydrophobicContact CG-CE2 3.93Å; Y95-N120 VanDerWaalsContact CA-O 3.3Å; Y95-N120 WeakPolarHBondContact CA-O 3.26Å; Y95-N120 HydrophobicContact CD1-CB 3.49Å; Y95-N120 VanDerWaalsContact CD1-CB 3.49Å; Y95-N120 HydrophobicContact CE1-CB 3.58Å; Y95-N120 HydrophobicContact CG-CB 4.23Å; Y95-I122 HydrophobicContact CD1-CG2 4.05Å; Y95-I128 HydrophobicContact CD1-CD1 4.39Å; Y95-I128 HydrophobicContact CD1-CG1 3.9Å; Y95-I128 HydrophobicContact CE1-CG1 3.86Å; Y95-I128 HydrophobicContact CE1-CG2 4.49Å
96G98.6Very high96.6Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-167.8164.7178.800000112.8L101 N120 E121 I122G96-L101 VanDerWaalsContact O-CD1 3.27Å; G96-L101 WeakPolarHBondContact O-CD1 3.23Å; G96-L101 WeakPolarHBondContact O-CG 3.39Å; G96-N120 PolarHBondContact N-O 2.86Å; G96-E121 WeakPolarHBondContact O-CA 3.29Å; G96-I122 WeakPolarHBondContact O-CG1 3.39Å; G96-I122 PolarHBondContact O-N 3.05Å
97G97.9Very high96.4Very high1 Ų130.1 Ų30.11%0.0115%0.145CC..  trans-62.2157172.200000112.1L99 A100 L101G97-L99 VanDerWaalsContact C-N 3.29Å; G97-L99 PolarHBondContact O-N 3.1Å; G97-A100 PolarHBondContact O-N 2.85Å; G97-A100 VanDerWaalsContact O-N 3.11Å; G97-L101 WeakPolarHBondContact O-CG 3.38Å; G97-L101 PolarHBondContact O-N 3.34Å
98P96.7Very high96.4Very high18 Ų1829.2 Ų29.212%0.11714%0.14CC..Hα-helixtrans-57.9-37.1-17514-23.8000113.4G102 E121 E146 L269P98-G102 PolarHBondContact O-N 2.98Å; P98-E121 HydrophobicContact CB-CG 4.18Å; P98-E121 HydrophobicContact CG-CG 4.37Å; P98-E146 WeakPolarHBondContact CD-OE1 3.45Å; P98-E146 WeakPolarHBondContact CD-OE2 3.41Å; P98-E146 WeakPolarHBondContact CG-OE1 3.3Å; P98-E146 VanDerWaalsContact CG-OE2 3.29Å; P98-E146 WeakPolarHBondContact CG-OE2 3.33Å; P98-L269 HydrophobicContact CB-CD1 4.44Å; P98-L269 HydrophobicContact CB-CD2 4.19Å
99L96.4Very high96.3Very high1 Ų130.3 Ų30.31%0.00515%0.147CC..Hα-helixtrans-64.2-49.8174.3179.860.4000112.1G97 L101 G102 L103 I144 P145 E146 I235 I265 L269 Y271G97-L99 VanDerWaalsContact C-N 3.29Å; G97-L99 PolarHBondContact O-N 3.1Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 2.99Å; L99-G102 PolarHBondContact O-N 3.19Å; L99-L103 HydrophobicContact CD1-CD1 4.24Å; L99-L103 HydrophobicContact CD1-CG 4.32Å; L99-L103 HydrophobicContact CG-CD1 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.26Å; L99-L103 PolarHBondContact O-N 3.2Å; L99-I144 HydrophobicContact CD2-CD1 4.04Å; L99-I144 HydrophobicContact CD2-CG1 3.66Å; L99-P145 HydrophobicContact CD2-CB 3.74Å; L99-P145 HydrophobicContact CD2-CG 3.78Å; L99-E146 WeakPolarHBondContact CB-OE2 3.4Å; L99-E146 PolarHBondContact N-OE2 3.42Å; L99-I235 HydrophobicContact CD1-CG1 4.48Å; L99-I235 HydrophobicContact CD2-CG1 4.07Å; L99-I265 HydrophobicContact CD1-CG2 3.79Å; L99-L269 HydrophobicContact CB-CD1 4.14Å; L99-L269 HydrophobicContact CD1-CD1 4.19Å; L99-Y271 HydrophobicContact CB-CD2 4.49Å; L99-Y271 HydrophobicContact CB-CE2 3.99Å; L99-Y271 HydrophobicContact CD1-CD2 4.42Å; L99-Y271 HydrophobicContact CD2-CD2 4.44Å
100A97.4Very high96.1Very high4 Ų432.3 Ų32.33%0.03316%0.156CC..Hα-helixtrans-60.7-44-179.900000111.2I72 G97 L103 I104I72-A100 HydrophobicContact CG2-CB 3.8Å; G97-A100 PolarHBondContact O-N 2.85Å; G97-A100 VanDerWaalsContact O-N 3.11Å; A100-L103 PolarHBondContact O-N 2.92Å; A100-I104 WeakPolarHBondContact O-CB 3.38Å; A100-I104 VanDerWaalsContact O-CG1 3.29Å; A100-I104 WeakPolarHBondContact O-CG1 2.91Å; A100-I104 PolarHBondContact O-N 2.99Å
101L97.8Very high95.9Very high5 Ų535 Ų353%0.02617%0.168CC..Hα-helixtrans-67.2-34.8175.7-65.9-174.6000113I94 G96 G97 L99 I104 R105 L119 N120 E121I94-L101 HydrophobicContact CG2-CD2 4.05Å; G96-L101 VanDerWaalsContact O-CD1 3.27Å; G96-L101 WeakPolarHBondContact O-CD1 3.23Å; G96-L101 WeakPolarHBondContact O-CG 3.39Å; G97-L101 WeakPolarHBondContact O-CG 3.38Å; G97-L101 PolarHBondContact O-N 3.34Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 2.99Å; L101-I104 HydrophobicContact CD2-CD1 4.46Å; L101-I104 PolarHBondContact O-N 2.92Å; L101-R105 VanDerWaalsContact O-CB 3.25Å; L101-R105 WeakPolarHBondContact O-CB 3.16Å; L101-R105 PolarHBondContact O-N 3.04Å; L101-L119 HydrophobicContact CD2-CB 4.38Å; L101-L119 HydrophobicContact CD2-CD2 4.36Å; L101-N120 VanDerWaalsContact CD1-C 3.49Å; L101-N120 WeakPolarHBondContact CD1-O 3.39Å; L101-E121 VanDerWaalsContact CD1-CA 3.49Å; L101-E121 HydrophobicContact CD1-CB 4.08Å
102G95.9Very high96Very high5 Ų538.1 Ų38.15%0.05218%0.179CC..Hα-helixtrans-60.6-44.8172.700000112P98 L99 R105 N106P98-G102 PolarHBondContact O-N 2.98Å; L99-G102 PolarHBondContact O-N 3.19Å; G102-R105 WeakPolarHBondContact O-CB 3.42Å; G102-R105 PolarHBondContact O-N 2.9Å; G102-N106 PolarHBondContact O-N 2.85Å
103L95.6Very high95.9Very high11 Ų1139 Ų396%0.05818%0.184CC..Hα-helixtrans-67.7-42.2176.9-64.7170.2000112G75 I80 L99 A100 R105 N106 K107 I144 N262 I265G75-L103 WeakPolarHBondContact O-CD1 3.33Å; I80-L103 HydrophobicContact CD1-CB 3.65Å; L99-L103 HydrophobicContact CD1-CD1 4.24Å; L99-L103 HydrophobicContact CD1-CG 4.32Å; L99-L103 HydrophobicContact CG-CD1 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.26Å; L99-L103 PolarHBondContact O-N 3.2Å; A100-L103 PolarHBondContact O-N 2.92Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-N106 PolarHBondContact O-N 2.92Å; L103-K107 PolarHBondContact O-N 2.83Å; L103-I144 HydrophobicContact CD1-CD1 4.05Å; L103-N262 WeakPolarHBondContact CD2-OD1 3.18Å; L103-I265 HydrophobicContact CD2-CD1 3.84Å; L103-I265 HydrophobicContact CG-CD1 4.48Å
104I97Very high95.8Very high1 Ų140.3 Ų40.31%0.00519%0.189CC..Hα-helixtrans-62.2-42.1174.5-71.9167.1000110.8I72 I80 V83 I94 A100 L101 N106 K107 L108 L119I72-I104 HydrophobicContact CD1-CD1 4.25Å; I72-I104 HydrophobicContact CG1-CD1 3.83Å; I72-I104 HydrophobicContact CG2-CD1 4.38Å; I80-I104 HydrophobicContact CB-CD1 4.1Å; I80-I104 HydrophobicContact CB-CG1 3.83Å; I80-I104 HydrophobicContact CD1-CG1 3.88Å; I80-I104 HydrophobicContact CG1-CG1 4.42Å; I80-I104 HydrophobicContact CG2-CD1 3.93Å; I80-I104 HydrophobicContact CG2-CG1 4.13Å; V83-I104 HydrophobicContact CG1-CG2 4.04Å; V83-I104 HydrophobicContact CG2-CD1 4.29Å; I94-I104 HydrophobicContact CG2-CD1 4.41Å; A100-I104 WeakPolarHBondContact O-CB 3.38Å; A100-I104 VanDerWaalsContact O-CG1 3.29Å; A100-I104 WeakPolarHBondContact O-CG1 2.91Å; A100-I104 PolarHBondContact O-N 2.99Å; L101-I104 HydrophobicContact CD2-CD1 4.46Å; L101-I104 PolarHBondContact O-N 2.92Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.18Å; I104-K107 WeakPolarHBondContact O-CB 3.39Å; I104-K107 PolarHBondContact O-N 3.1Å; I104-K107 VanDerWaalsContact O-N 3.1Å; I104-L108 HydrophobicContact CG2-CD1 3.59Å; I104-L108 HydrophobicContact CG2-CG 3.89Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 2.99Å; I104-L119 HydrophobicContact CG2-CD2 4.08Å
105R96.4Very high95.6Very high113 Ų11352.1 Ų52.143%0.42623%0.233SC..Hα-helixtrans-54.8-47179.5-178.4178.4-63.3117.4-0.4111.6L101 G102 L103 K107 L108 E109 L114 L119L101-R105 VanDerWaalsContact O-CB 3.25Å; L101-R105 WeakPolarHBondContact O-CB 3.16Å; L101-R105 PolarHBondContact O-N 3.04Å; G102-R105 WeakPolarHBondContact O-CB 3.42Å; G102-R105 PolarHBondContact O-N 2.9Å; L103-R105 VanDerWaalsContact C-N 3.35Å; R105-K107 PolarHBondContact O-N 3.03Å; R105-L108 PolarHBondContact O-N 3.4Å; R105-E109 PolarHBondContact O-N 3.33Å; R105-L114 HydrophobicContact CB-CD1 4.45Å; R105-L114 HydrophobicContact CG-CD1 3.74Å; R105-L114 HydrophobicContact CG-CD2 3.86Å; R105-L114 HydrophobicContact CG-CG 4.48Å; R105-L119 HydrophobicContact CB-CD1 4.2Å
106N92.4Very high95.4Very high42 Ų4254.4 Ų54.423%0.22525%0.252CS..Hα-helixtrans-61.6-43.7176.9-76.32000112G102 L103 I104 L108 E109 E110 I265G102-N106 PolarHBondContact O-N 2.85Å; L103-N106 PolarHBondContact O-N 2.92Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.18Å; N106-L108 PolarHBondContact O-N 2.9Å; N106-E109 WeakPolarHBondContact O-CB 3.49Å; N106-E109 PolarHBondContact O-N 2.9Å; N106-E110 WeakPolarHBondContact O-CG 3.31Å; N106-E110 PolarHBondContact O-N 3.4Å; N106-I265 VanDerWaalsContact ND2-CD1 3.26Å; N106-I265 WeakPolarHBondContact ND2-CD1 3.48Å
107K92.9Very high95.3Very high35 Ų3555.2 Ų55.215%0.15226%0.259CS..Hα-helixtrans-61.5-44.3176.2-69173.8-176.9-67.50111.8E77 I80 P84 L103 I104 R105 E109 E110 H111E77-K107 VanDerWaalsContact OE1-CE 3.26Å; E77-K107 WeakPolarHBondContact OE1-CE 3.46Å; E77-K107 IonicContact OE1-NZ 2.86Å; E77-K107 PolarHBondContact OE1-NZ 3.47Å; E77-K107 WeakPolarHBondContact OE2-CE 3.35Å; E77-K107 IonicContact OE2-NZ 3.99Å; E77-K107 PolarHBondContact OE2-NZ 2.79Å; I80-K107 HydrophobicContact CD1-CD 4.24Å; I80-K107 HydrophobicContact CG1-CD 4.49Å; P84-K107 HydrophobicContact CG-CB 3.92Å; L103-K107 PolarHBondContact O-N 2.83Å; I104-K107 WeakPolarHBondContact O-CB 3.39Å; I104-K107 PolarHBondContact O-N 3.1Å; I104-K107 VanDerWaalsContact O-N 3.1Å; R105-K107 PolarHBondContact O-N 3.03Å; K107-E109 VanDerWaalsContact C-N 3.26Å; K107-E109 PolarHBondContact O-N 3.25Å; K107-E110 PolarHBondContact O-N 3.33Å; K107-H111 PolarHBondContact O-CD2 3.43Å; K107-H111 PolarHBondContact O-N 3.38Å
108L95.9Very high95.3Very high0 Ų061.3 Ų61.30%029%0.285CS..Hα-helixtrans-66.6-29.7179.1-65.1178000112.3V83 P84 L87 I104 R105 N106 H112 L113 L114 A117 L119V83-L108 HydrophobicContact CG1-CD2 4.42Å; P84-L108 HydrophobicContact CB-CD2 4.31Å; P84-L108 HydrophobicContact CG-CD2 4.27Å; L87-L108 HydrophobicContact CD1-CD1 4.21Å; L87-L108 HydrophobicContact CD1-CD2 3.78Å; I104-L108 HydrophobicContact CG2-CD1 3.59Å; I104-L108 HydrophobicContact CG2-CG 3.89Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 2.99Å; R105-L108 PolarHBondContact O-N 3.4Å; N106-L108 PolarHBondContact O-N 2.9Å; L108-H112 PolarHBondContact O-N 2.94Å; L108-L113 HydrophobicContact CB-CB 4.46Å; L108-L113 HydrophobicContact CD2-CB 3.96Å; L108-L113 HydrophobicContact CD2-CD1 4.28Å; L108-L113 PolarHBondContact O-N 2.68Å; L108-L114 HydrophobicContact CB-CB 4.05Å; L108-L114 HydrophobicContact CB-CD1 4.35Å; L108-L114 PolarHBondContact O-N 3.42Å; L108-A117 HydrophobicContact CD1-CB 3.57Å; L108-L119 HydrophobicContact CD1-CD1 4.38Å; L108-L119 HydrophobicContact CD1-CD2 3.94Å
109E94.5Very high95.3Very high121 Ų12162.4 Ų62.457%0.56529%0.29SS*.Hα-helixtrans-67-47.6171.6-172.7170.9-158.400111.4R105 N106 K107 H111 H112 L114R105-E109 PolarHBondContact O-N 3.33Å; N106-E109 WeakPolarHBondContact O-CB 3.49Å; N106-E109 PolarHBondContact O-N 2.9Å; K107-E109 VanDerWaalsContact C-N 3.26Å; K107-E109 PolarHBondContact O-N 3.25Å; E109-H111 PolarHBondContact O-N 3.44Å; E109-H112 PolarHBondContact O-N 3.08Å; E109-H112 PolarHBondContact O-ND1 3Å; E109-L114 HydrophobicContact CB-CD2 4.26Å
110E90Very high95.4Very high128 Ų12865.2 Ų65.260%0.59831%0.305SS*.Hα-helixtrans-59.4-32.7175.9-70.4178.4174.500112.7N106 K107N106-E110 WeakPolarHBondContact O-CG 3.31Å; N106-E110 PolarHBondContact O-N 3.4Å; K107-E110 PolarHBondContact O-N 3.33Å
111H92.3Very high95.5Very high62 Ų6271.6 Ų71.629%0.28733%0.334SS..THydrogen-bonded Turntrans-93.32.9177.4-73.6-73.8000114.5P84 K107 E109 L113P84-H111 HydrophobicContact CB-CB 4.01Å; P84-H111 WeakPolarHBondContact CB-CD2 3.36Å; K107-H111 PolarHBondContact O-CD2 3.43Å; K107-H111 PolarHBondContact O-N 3.38Å; E109-H111 PolarHBondContact O-N 3.44Å; H111-L113 VanDerWaalsContact C-N 3.28Å; H111-L113 HydrophobicContact CB-CD1 4.05Å; H111-L113 HydrophobicContact CB-CG 4.29Å; H111-L113 PolarHBondContact O-N 2.71Å
112H94.8Very high95.5Very high173 Ų17371.5 Ų71.580%0.80133%0.333SS*.THydrogen-bonded Turntrans59.330.6-178.6-49.6-49.9000115.2L108 E109L108-H112 PolarHBondContact O-N 2.94Å; E109-H112 PolarHBondContact O-N 3.08Å; E109-H112 PolarHBondContact O-ND1 3Å
113L95.9Very high95.6Very high26 Ų2675.2 Ų75.214%0.13635%0.352CS..  trans-107.5-9.5-179.3-64.5170.2000113.4P84 L87 K88 L108 H111 R115 T116 A117P84-L113 HydrophobicContact CB-CD1 4.18Å; P84-L113 WeakPolarHBondContact O-CD1 3.45Å; L87-L113 HydrophobicContact CB-CD1 4.24Å; K88-L113 HydrophobicContact CG-CD1 4Å; K88-L113 HydrophobicContact CG-CD2 4.42Å; L108-L113 HydrophobicContact CB-CB 4.46Å; L108-L113 HydrophobicContact CD2-CB 3.96Å; L108-L113 HydrophobicContact CD2-CD1 4.28Å; L108-L113 PolarHBondContact O-N 2.68Å; H111-L113 VanDerWaalsContact C-N 3.28Å; H111-L113 HydrophobicContact CB-CD1 4.05Å; H111-L113 HydrophobicContact CB-CG 4.29Å; H111-L113 PolarHBondContact O-N 2.71Å; L113-R115 VanDerWaalsContact C-N 3.25Å; L113-R115 PolarHBondContact O-N 2.76Å; L113-R115 VanDerWaalsContact O-N 3.17Å; L113-T116 PolarHBondContact O-N 3.35Å; L113-T116 VanDerWaalsContact O-N 3.15Å; L113-T116 PolarHBondContact O-OG1 3.01Å; L113-T116 VanDerWaalsContact O-OG1 3.06Å; L113-A117 PolarHBondContact O-N 3.35Å
114L95.4Very high95.6Very high56 Ų5676.6 Ų76.629%0.29336%0.358SS..THydrogen-bonded Turntrans-57.5-36.7-171.918057.8000113.4R105 L108 E109 T116 A117 L119R105-L114 HydrophobicContact CB-CD1 4.45Å; R105-L114 HydrophobicContact CG-CD1 3.74Å; R105-L114 HydrophobicContact CG-CD2 3.86Å; R105-L114 HydrophobicContact CG-CG 4.48Å; L108-L114 HydrophobicContact CB-CB 4.05Å; L108-L114 HydrophobicContact CB-CD1 4.35Å; L108-L114 PolarHBondContact O-N 3.42Å; E109-L114 HydrophobicContact CB-CD2 4.26Å; L114-T116 VanDerWaalsContact C-N 3.26Å; L114-T116 PolarHBondContact O-N 2.84Å; L114-A117 PolarHBondContact O-N 2.8Å; L114-L119 HydrophobicContact CD1-CD1 4.15Å
115R95.2Very high95.7Very high249 Ų24982.9 Ų82.994%0.9439%0.392SS*.THydrogen-bonded Turntrans-65.3-28.3-177.3-175.3176.4174.4-177.2-1113.4L113L113-R115 VanDerWaalsContact C-N 3.25Å; L113-R115 PolarHBondContact O-N 2.76Å; L113-R115 VanDerWaalsContact O-N 3.17Å
116T94.3Very high95.8Very high91 Ų9178.7 Ų78.756%0.55838%0.38SS*.THydrogen-bonded Turntrans-100.1-17.9-176.750.40000112.9L113 L114L113-T116 PolarHBondContact O-N 3.35Å; L113-T116 VanDerWaalsContact O-N 3.15Å; L113-T116 PolarHBondContact O-OG1 3.01Å; L113-T116 VanDerWaalsContact O-OG1 3.06Å; L114-T116 VanDerWaalsContact C-N 3.26Å; L114-T116 PolarHBondContact O-N 2.84Å
117A96.6Very high96.1Very high18 Ų1880.4 Ų80.415%0.14939%0.392CS..  trans-73139-179.100000112.3L87 L108 L113 L114 L119L87-A117 HydrophobicContact CD1-CB 3.86Å; L108-A117 HydrophobicContact CD1-CB 3.57Å; L113-A117 PolarHBondContact O-N 3.35Å; L114-A117 PolarHBondContact O-N 2.8Å; A117-L119 HydrophobicContact CB-CD2 4.37Å
118K97.4Very high96.3Very high128 Ų12880 Ų8056%0.55739%0.391SS*.EExtended strand (participates in β ladder)trans-102.698.2173.8-64.5177.1-175.5174.50109.2P93 I94 N120P93-K118 HydrophobicContact CB-CB 4.43Å; I94-K118 PolarHBondContact N-O 2.79Å; K118-N120 PolarHBondContact O-ND2 2.82Å
119L98.3Very high96.4Very high41 Ų4187.7 Ų87.722%0.21542%0.424CS..EExtended strand (participates in β ladder)trans-96.7121.6179-54.1-178.8000109.8I94 L101 I104 R105 L108 L114 A117I94-L119 HydrophobicContact CB-CD2 4.01Å; I94-L119 HydrophobicContact CD1-CD2 3.85Å; I94-L119 HydrophobicContact CG1-CD2 4.41Å; I94-L119 HydrophobicContact CG2-CD2 4.41Å; L101-L119 HydrophobicContact CD2-CB 4.38Å; L101-L119 HydrophobicContact CD2-CD2 4.36Å; I104-L119 HydrophobicContact CG2-CD2 4.08Å; R105-L119 HydrophobicContact CB-CD1 4.2Å; L108-L119 HydrophobicContact CD1-CD1 4.38Å; L108-L119 HydrophobicContact CD1-CD2 3.94Å; L114-L119 HydrophobicContact CD1-CD1 4.15Å; A117-L119 HydrophobicContact CB-CD2 4.37Å
120N98.6Very high96.6Very high60 Ų6083.6 Ų83.632%0.32141%0.409SS..EExtended strand (participates in β ladder)trans-120.4112.7-176.4-55.1-81000109.7I94 Y95 G96 L101 K118I94-N120 WeakPolarHBondContact O-CB 3.42Å; I94-N120 PolarHBondContact O-N 3.07Å; I94-N120 PolarHBondContact O-ND2 3.07Å; I94-N120 VanDerWaalsContact O-ND2 3.12Å; Y95-N120 VanDerWaalsContact CA-O 3.3Å; Y95-N120 WeakPolarHBondContact CA-O 3.26Å; Y95-N120 HydrophobicContact CD1-CB 3.49Å; Y95-N120 VanDerWaalsContact CD1-CB 3.49Å; Y95-N120 HydrophobicContact CE1-CB 3.58Å; Y95-N120 HydrophobicContact CG-CB 4.23Å; G96-N120 PolarHBondContact N-O 2.86Å; L101-N120 VanDerWaalsContact CD1-C 3.49Å; L101-N120 WeakPolarHBondContact CD1-O 3.39Å; K118-N120 PolarHBondContact O-ND2 2.82Å
121E98.3Very high97Very high138 Ų13883.7 Ų83.765%0.64541%0.408SS*.EExtended strand (participates in β ladder)trans-68.3136.2178.5-167175.6135.400111.1G96 P98 L101G96-E121 WeakPolarHBondContact O-CA 3.29Å; P98-E121 HydrophobicContact CB-CG 4.18Å; P98-E121 HydrophobicContact CG-CG 4.37Å; L101-E121 VanDerWaalsContact CD1-CA 3.49Å; L101-E121 HydrophobicContact CD1-CB 4.08Å
122I98.4Very high97.2Very high4 Ų482.7 Ų82.72%0.02140%0.403CS..  trans-123.7161.6173.161.7134.6000110.7Y95 G96 I128 F137 Y148Y95-I122 HydrophobicContact CD1-CG2 4.05Å; G96-I122 WeakPolarHBondContact O-CG1 3.39Å; G96-I122 PolarHBondContact O-N 3.05Å; I122-I128 HydrophobicContact CG2-CD1 4.01Å; I122-F137 HydrophobicContact CB-CE2 4.1Å; I122-F137 HydrophobicContact CD1-CD1 3.67Å; I122-F137 HydrophobicContact CD1-CD2 3.68Å; I122-F137 HydrophobicContact CD1-CE1 3.64Å; I122-F137 HydrophobicContact CD1-CE2 3.66Å; I122-F137 HydrophobicContact CD1-CG 3.69Å; I122-F137 HydrophobicContact CD1-CZ 3.65Å; I122-F137 HydrophobicContact CG1-CE2 4.43Å; I122-F137 HydrophobicContact CG2-CE2 4.09Å; I122-F137 HydrophobicContact CG2-CZ 4.29Å; I122-Y148 HydrophobicContact CD1-CD2 4.23Å; I122-Y148 HydrophobicContact CD1-CE2 4.47Å; I122-Y148 HydrophobicContact CD1-CG 4.5Å
123N97.4Very high97.4Very high83 Ų8374.5 Ų74.544%0.44437%0.365SS..  trans-134.4-178.7168.461.732.5000109.9D125 S126N123-D125 PolarHBondContact O-N 2.68Å; N123-D125 PolarHBondContact OD1-N 3.33Å; N123-D125 VanDerWaalsContact OD1-N 3.08Å; N123-S126 PolarHBondContact N-OG 2.88Å; N123-S126 VanDerWaalsContact O-CB 3.26Å; N123-S126 WeakPolarHBondContact O-CB 3.27Å; N123-S126 PolarHBondContact O-N 3.05Å; N123-S126 PolarHBondContact O-OG 3.42Å; N123-S126 PolarHBondContact OD1-N 2.76Å; N123-S126 PolarHBondContact OD1-OG 3.16Å
124E96.9Very high97.6Very high39 Ų3975.6 Ų75.618%0.18237%0.373CS..THydrogen-bonded Turntrans-58.5-29-177.9-175.2166.8-152.100114.4L139 Y148 N177 K180E124-L139 WeakPolarHBondContact OE1-CB 3.35Å; E124-L139 PolarHBondContact OE1-N 3Å; E124-Y148 HydrophobicContact CB-CE1 4.07Å; E124-N177 WeakPolarHBondContact OE1-CB 3.37Å; E124-N177 PolarHBondContact OE1-ND2 2.86Å; E124-K180 PolarHBondContact O-NZ 2.87Å
125D97.4Very high97.7Very high133 Ų13373 Ų7371%0.71136%0.359SS*.THydrogen-bonded Turntrans-93.3-2.1-178.4-60.3-43.5000112.8N123N123-D125 PolarHBondContact O-N 2.68Å; N123-D125 PolarHBondContact OD1-N 3.33Å; N123-D125 VanDerWaalsContact OD1-N 3.08Å
126S98.4Very high97.9Very high25 Ų2562.2 Ų62.218%0.17532%0.322CS..  trans-68.9137.9-179.1-63.90000111.1N123 F137N123-S126 PolarHBondContact N-OG 2.88Å; N123-S126 VanDerWaalsContact O-CB 3.26Å; N123-S126 WeakPolarHBondContact O-CB 3.27Å; N123-S126 PolarHBondContact O-N 3.05Å; N123-S126 PolarHBondContact O-OG 3.42Å; N123-S126 PolarHBondContact OD1-N 2.76Å; N123-S126 PolarHBondContact OD1-OG 3.16Å; S126-F137 WeakPolarHBondContact O-CD2 3.13Å
127V98.6Very high98.1Very high79 Ų7958 Ų5848%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-131.7118.8177.4-177.80000109K129 T134 I135V127-K129 HydrophobicContact CG1-CG 4.16Å; V127-T134 HydrophobicContact CG1-CG2 3.45Å; V127-T134 VanDerWaalsContact CG1-CG2 3.45Å; V127-I135 WeakPolarHBondContact CA-O 3.41Å
128I98.7Very high98.2Very high26 Ų2657.1 Ų57.113%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-105.8121.5178.2-63.772.1000107.2F71 Y95 I122 I135 F137F71-I128 HydrophobicContact CE1-CB 4.14Å; F71-I128 HydrophobicContact CE1-CD1 4.27Å; F71-I128 HydrophobicContact CE1-CG1 4.07Å; F71-I128 HydrophobicContact CE1-CG2 4.35Å; F71-I128 HydrophobicContact CZ-CB 4.37Å; F71-I128 HydrophobicContact CZ-CG2 4.14Å; Y95-I128 HydrophobicContact CD1-CD1 4.39Å; Y95-I128 HydrophobicContact CD1-CG1 3.9Å; Y95-I128 HydrophobicContact CE1-CG1 3.86Å; Y95-I128 HydrophobicContact CE1-CG2 4.49Å; I122-I128 HydrophobicContact CG2-CD1 4.01Å; I128-I135 HydrophobicContact CB-CB 4.37Å; I128-I135 HydrophobicContact CG2-CD1 4.47Å; I128-I135 PolarHBondContact N-O 2.7Å; I128-I135 WeakPolarHBondContact O-CD1 3.48Å; I128-I135 PolarHBondContact O-N 2.91Å; I128-F137 HydrophobicContact CD1-CE2 3.56Å; I128-F137 HydrophobicContact CD1-CZ 3.82Å
129K98.5Very high98.2Very high161 Ų16151.7 Ų51.770%0.727%0.266SS*.EExtended strand (participates in β ladder)trans-108.8136.4-179.5-64.8-176.1178-177.70110.4V127 T134V127-K129 HydrophobicContact CG1-CG 4.16Å; K129-T134 HydrophobicContact CG-CG2 4.3Å
130S97.7Very high98.2Very high35 Ų3550 Ų5025%0.24526%0.257CS..  trans-122.8-164.2169.672.90000109.6E32 F133E32-S130 WeakPolarHBondContact OE1-CB 3.29Å; E32-S130 PolarHBondContact OE1-OG 2.89Å; E32-S130 WeakPolarHBondContact OE2-CB 3.48Å; E32-S130 PolarHBondContact OE2-OG 2.97Å; S130-F133 PolarHBondContact N-O 2.6Å; S130-F133 WeakPolarHBondContact OG-CB 3.05Å; S130-F133 PolarHBondContact OG-N 2.82Å; S130-F133 VanDerWaalsContact OG-N 3.09Å; S130-F133 PolarHBondContact OG-O 2.97Å
131K97.6Very high98.2Very high131 Ų13147.5 Ų47.557%0.5724%0.244SC*.SBendtrans-68.7-37.9-178-174.6-170.2171.2-150.40112.3D31 E32D31-K131 IonicContact OD1-NZ 3.7Å; D31-K131 PolarHBondContact OD1-NZ 2.92Å; D31-K131 IonicContact OD2-NZ 3.69Å; D31-K131 PolarHBondContact OD2-NZ 3.17Å; E32-K131 WeakPolarHBondContact OE1-CB 3.21Å; E32-K131 PolarHBondContact OE1-N 2.72Å; E32-K131 PolarHBondContact OE2-N 2.91Å
132H98Very high98Very high40 Ų4041.2 Ų41.219%0.18522%0.215CC..SBendtrans-121.7-16.6-175.6-62.6-41.7000113.4Y29 D31 E32 P155Y29-H132 HydrophobicContact CD1-CB 3.8Å; Y29-H132 AromaticContact CD1-CG 3.97Å; Y29-H132 HydrophobicContact CE1-CB 4.35Å; D31-H132 IonicContact OD1-CD2 3.51Å; D31-H132 PolarHBondContact OD1-CD2 2.61Å; D31-H132 VanDerWaalsContact OD1-CD2 3.27Å; D31-H132 IonicContact OD1-NE2 2.79Å; D31-H132 PolarHBondContact OD1-NE2 3.11Å; D31-H132 VanDerWaalsContact OD1-NE2 3.07Å; E32-H132 WeakPolarHBondContact OE2-CA 3.21Å; E32-H132 WeakPolarHBondContact OE2-CB 3.44Å; E32-H132 PolarHBondContact OE2-N 2.77Å; H132-P155 WeakPolarHBondContact O-CD 3.47Å
133F98.6Very high97.7Very high2 Ų241.7 Ų41.71%0.00922%0.218CC..  trans-112.9146.1-178.4-56.4-50.7000113.8V27 Y29 E32 V34 V68 S130 I135 V152 D153 T154V27-F133 HydrophobicContact CG1-CE1 4.47Å; V27-F133 HydrophobicContact CG1-CZ 4.47Å; Y29-F133 VanDerWaalsContact CB-CE1 3.5Å; Y29-F133 VanDerWaalsContact CB-CZ 3.49Å; Y29-F133 HydrophobicContact CG-CE1 4.47Å; E32-F133 HydrophobicContact CB-CD2 3.79Å; E32-F133 HydrophobicContact CB-CE2 3.45Å; E32-F133 VanDerWaalsContact CB-CE2 3.45Å; E32-F133 HydrophobicContact CB-CZ 4.33Å; E32-F133 WeakPolarHBondContact O-CE2 3.41Å; E32-F133 PolarHBondContact OE2-N 2.85Å; V34-F133 HydrophobicContact CG2-CD2 3.5Å; V34-F133 HydrophobicContact CG2-CE2 3.83Å; V34-F133 HydrophobicContact CG2-CG 4.16Å; V68-F133 HydrophobicContact CG2-CD2 4.26Å; S130-F133 PolarHBondContact N-O 2.6Å; S130-F133 WeakPolarHBondContact OG-CB 3.05Å; S130-F133 PolarHBondContact OG-N 2.82Å; S130-F133 VanDerWaalsContact OG-N 3.09Å; S130-F133 PolarHBondContact OG-O 2.97Å; F133-I135 HydrophobicContact CB-CD1 3.65Å; F133-I135 HydrophobicContact CB-CG1 4.37Å; F133-V152 HydrophobicContact CB-CG1 4.37Å; F133-V152 HydrophobicContact CD1-CG1 3.77Å; F133-V152 HydrophobicContact CE1-CG1 4.12Å; F133-V152 HydrophobicContact CG-CG1 4.05Å; F133-D153 WeakPolarHBondContact CA-O 3.42Å; F133-T154 HydrophobicContact CD1-CG2 3.8Å; F133-T154 HydrophobicContact CE1-CG2 3.61Å
134T98.8Very high97.5Very high49 Ų4937.8 Ų37.830%0.30120%0.197SC..EExtended strand (participates in β ladder)trans-117.3112.3157-63.10000107.9V127 K129 D153V127-T134 HydrophobicContact CG1-CG2 3.45Å; V127-T134 VanDerWaalsContact CG1-CG2 3.45Å; K129-T134 HydrophobicContact CG-CG2 4.3Å; T134-D153 PolarHBondContact N-O 2.91Å; T134-D153 VanDerWaalsContact N-O 3.1Å; T134-D153 WeakPolarHBondContact O-CB 3.38Å; T134-D153 PolarHBondContact O-N 2.81Å
135I98.9Very high97.4Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-97.6126.5179.3-52.886.2000108.7V34 V68 F71 V127 I128 F133 F137 V150 I151V34-I135 HydrophobicContact CG1-CG1 4.46Å; V34-I135 HydrophobicContact CG2-CD1 3.98Å; V34-I135 HydrophobicContact CG2-CG1 3.91Å; V68-I135 HydrophobicContact CG1-CD1 4.46Å; F71-I135 HydrophobicContact CD1-CG2 3.79Å; F71-I135 HydrophobicContact CE1-CB 3.98Å; F71-I135 HydrophobicContact CE1-CG1 4.31Å; F71-I135 HydrophobicContact CE1-CG2 3.66Å; F71-I135 HydrophobicContact CE2-CD1 4.5Å; F71-I135 HydrophobicContact CE2-CG1 4.22Å; F71-I135 HydrophobicContact CG-CG2 4.28Å; F71-I135 HydrophobicContact CZ-CB 4.04Å; F71-I135 HydrophobicContact CZ-CD1 4.01Å; F71-I135 HydrophobicContact CZ-CG1 3.87Å; F71-I135 HydrophobicContact CZ-CG2 4.04Å; V127-I135 WeakPolarHBondContact CA-O 3.41Å; I128-I135 HydrophobicContact CB-CB 4.37Å; I128-I135 HydrophobicContact CG2-CD1 4.47Å; I128-I135 PolarHBondContact N-O 2.7Å; I128-I135 WeakPolarHBondContact O-CD1 3.48Å; I128-I135 PolarHBondContact O-N 2.91Å; F133-I135 HydrophobicContact CB-CD1 3.65Å; F133-I135 HydrophobicContact CB-CG1 4.37Å; I135-F137 HydrophobicContact CG2-CE1 4.09Å; I135-F137 HydrophobicContact CG2-CZ 3.99Å; I135-V150 HydrophobicContact CG2-CG1 3.8Å; I135-I151 VanDerWaalsContact CA-O 3.31Å; I135-I151 WeakPolarHBondContact CA-O 3.43Å
136S98.8Very high97.1Very high24 Ų2430.9 Ų30.917%0.16816%0.161CC..EExtended strand (participates in β ladder)trans-141.3174.2177.262.10000110.9I151S136-I151 PolarHBondContact N-O 2.97Å; S136-I151 PolarHBondContact O-N 2.84Å
137F98.8Very high97Very high2 Ų229.8 Ų29.81%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-133.7158.8-167.7-47.2-78.4000112.3F71 I122 S126 I128 I135 Y148 G149 V150 K180F71-F137 AromaticContact CD1-CE1 3.95Å; F71-F137 HydrophobicContact CD1-CE1 3.95Å; F71-F137 AromaticContact CD1-CZ 3.74Å; F71-F137 HydrophobicContact CD1-CZ 3.74Å; F71-F137 HydrophobicContact CE1-CZ 4.12Å; I122-F137 HydrophobicContact CB-CE2 4.1Å; I122-F137 HydrophobicContact CD1-CD1 3.67Å; I122-F137 HydrophobicContact CD1-CD2 3.68Å; I122-F137 HydrophobicContact CD1-CE1 3.64Å; I122-F137 HydrophobicContact CD1-CE2 3.66Å; I122-F137 HydrophobicContact CD1-CG 3.69Å; I122-F137 HydrophobicContact CD1-CZ 3.65Å; I122-F137 HydrophobicContact CG1-CE2 4.43Å; I122-F137 HydrophobicContact CG2-CE2 4.09Å; I122-F137 HydrophobicContact CG2-CZ 4.29Å; S126-F137 WeakPolarHBondContact O-CD2 3.13Å; I128-F137 HydrophobicContact CD1-CE2 3.56Å; I128-F137 HydrophobicContact CD1-CZ 3.82Å; I135-F137 HydrophobicContact CG2-CE1 4.09Å; I135-F137 HydrophobicContact CG2-CZ 3.99Å; F137-Y148 HydrophobicContact CB-CD1 4.03Å; F137-Y148 HydrophobicContact CB-CG 4.41Å; F137-G149 VanDerWaalsContact CA-O 3.3Å; F137-G149 WeakPolarHBondContact CA-O 3.38Å; F137-V150 HydrophobicContact CD1-CG2 4.1Å; F137-V150 HydrophobicContact CE1-CG1 4.3Å; F137-V150 HydrophobicContact CE1-CG2 4.19Å; F137-K180 WeakPolarHBondContact O-CE 3.36Å; F137-K180 PolarHBondContact O-NZ 2.78Å
138Y98.3Very high97Very high0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-141144.2169.159.6-82000109.5T140 Y148 G149 I151 V160 H161 T162 M181 L184Y138-T140 HydrophobicContact CD2-CG2 4.12Å; Y138-T140 HydrophobicContact CE2-CG2 3.85Å; Y138-Y148 WeakPolarHBondContact O-CA 3.21Å; Y138-G149 PolarHBondContact N-O 2.85Å; Y138-G149 VanDerWaalsContact N-O 3.11Å; Y138-G149 PolarHBondContact O-N 3.36Å; Y138-I151 HydrophobicContact CD1-CD1 3.74Å; Y138-I151 HydrophobicContact CD1-CG1 3.69Å; Y138-I151 HydrophobicContact CE1-CD1 4.33Å; Y138-I151 HydrophobicContact CE1-CG1 3.8Å; Y138-V160 HydrophobicContact CE1-CG1 3.85Å; Y138-V160 VanDerWaalsContact OH-CG1 3.26Å; Y138-V160 WeakPolarHBondContact OH-CG1 3.43Å; Y138-H161 PolarHBondContact OH-O 3.1Å; Y138-H161 VanDerWaalsContact OH-O 3.11Å; Y138-T162 WeakPolarHBondContact OH-CA 3.5Å; Y138-M181 HydrophobicContact CD2-CE 3.68Å; Y138-M181 HydrophobicContact CD2-CG 3.74Å; Y138-M181 HydrophobicContact CE2-CE 3.86Å; Y138-M181 HydrophobicContact CE2-CG 3.97Å; Y138-M181 HydrophobicContact CE2-SD 4.5Å; Y138-L184 HydrophobicContact CD1-CD2 4.5Å; Y138-L184 HydrophobicContact CE1-CD2 4.33Å
139L98.1Very high97Very high13 Ų1325.3 Ų25.37%0.06813%0.126CC..EExtended strand (participates in β ladder)trans-76.8132.6-175.6-164.564.4000111.3E124 T147 Y148 K174 P175 A176 N177 M181E124-L139 WeakPolarHBondContact OE1-CB 3.35Å; E124-L139 PolarHBondContact OE1-N 3Å; L139-T147 WeakPolarHBondContact CD1-O 3.22Å; L139-Y148 HydrophobicContact CD1-CD1 4.19Å; L139-Y148 HydrophobicContact CD1-CE1 3.89Å; L139-K174 HydrophobicContact CD2-CB 3.58Å; L139-K174 HydrophobicContact CD2-CD 4.04Å; L139-K174 HydrophobicContact CD2-CG 4.48Å; L139-P175 WeakPolarHBondContact CD2-O 3.26Å; L139-A176 WeakPolarHBondContact O-CA 3.41Å; L139-N177 HydrophobicContact CB-CB 4.29Å; L139-N177 PolarHBondContact O-N 3.34Å; L139-M181 WeakPolarHBondContact O-CE 3.32Å
140T98.2Very high97.1Very high5 Ų517.7 Ų17.73%0.0319%0.093CC..  trans-112.3176170.462.10000110.2Y138 T147 F165 M181Y138-T140 HydrophobicContact CD2-CG2 4.12Å; Y138-T140 HydrophobicContact CE2-CG2 3.85Å; T140-T147 PolarHBondContact N-O 3.09Å; T140-T147 PolarHBondContact O-OG1 3.23Å; T140-T147 VanDerWaalsContact O-OG1 3.04Å; T140-T147 VanDerWaalsContact OG1-CB 3.32Å; T140-T147 WeakPolarHBondContact OG1-CB 3.37Å; T140-T147 PolarHBondContact OG1-O 3.42Å; T140-T147 VanDerWaalsContact OG1-O 3.11Å; T140-T147 PolarHBondContact OG1-OG1 2.6Å; T140-F165 HydrophobicContact CG2-CB 4.15Å; T140-M181 HydrophobicContact CG2-CE 3.94Å
141T97.4Very high97.1Very high9 Ų916.4 Ų16.46%0.0558%0.084CC..BIsolated β-bridgetrans-114.4137.7167.140.20000110F165 K166 D168 P171 A176T141-F165 CarbonylContact O-C 3.43Å; T141-F165 VanDerWaalsContact O-CA 3.31Å; T141-F165 WeakPolarHBondContact O-CA 3.44Å; T141-K166 PolarHBondContact O-N 3.37Å; T141-K166 VanDerWaalsContact O-O 3.08Å; T141-K166 PolarHBondContact OG1-O 2.91Å; T141-D168 HydrophobicContact CG2-CB 4.46Å; T141-D168 PolarHBondContact OG1-N 2.81Å; T141-D168 VanDerWaalsContact OG1-N 3.17Å; T141-P171 HydrophobicContact CG2-CB 4.01Å; T141-P171 HydrophobicContact CG2-CG 4.2Å; T141-A176 HydrophobicContact CG2-CB 4.2Å
142H95.6Very high97.2Very high5 Ų510.2 Ų10.22%0.0236%0.057CC..  trans-148.4-167.3177.1-167.237.2000109.7H74 H76 I144 T147 D164 G367 H368H74-H142 AromaticContact CD2-CD2 3.76Å; H74-H142 AromaticContact NE2-CD2 3.65Å; H74-H142 AromaticContact NE2-NE2 3.74Å; H76-H142 AromaticContact CE1-CD2 3.62Å; H76-H142 AromaticContact CE1-NE2 3.17Å; H76-H142 PolarHBondContact CE1-NE2 2.87Å; H76-H142 AromaticContact ND1-CD2 3.73Å; H76-H142 AromaticContact ND1-NE2 3.25Å; H76-H142 PolarHBondContact ND1-NE2 2.96Å; H142-I144 VanDerWaalsContact C-N 3.26Å; H142-I144 PolarHBondContact O-N 2.92Å; H142-T147 HydrophobicContact CB-CG2 3.44Å; H142-T147 VanDerWaalsContact CB-CG2 3.44Å; H142-D164 WeakPolarHBondContact NE2-CB 3.36Å; H142-D164 IonicContact NE2-OD2 3.94Å; H142-G367 VanDerWaalsContact CE1-C 3.43Å; H142-G367 PolarHBondContact CE1-O 2.95Å; H142-G367 WeakPolarHBondContact ND1-CA 2.97Å; H142-G367 PolarHBondContact ND1-O 3.39Å; H142-H368 AromaticContact CE1-CE1 3.58Å; H142-H368 AromaticContact CE1-ND1 3.76Å; H142-H368 AromaticContact CE1-NE2 3.94Å
143S91.2Very high97.2Very high14 Ų1410.6 Ų10.610%0.0986%0.06CC..SBendtrans-82.24.7177.355.30000114.9H76 N234H76-S143 PolarHBondContact CE1-OG 3.11Å; S143-N234 WeakPolarHBondContact O-CA 3.3Å; S143-N234 PolarHBondContact O-OD1 3.07Å; S143-N234 VanDerWaalsContact O-OD1 3.08Å
144I93.8Very high97.2Very high1 Ų110.9 Ų10.91%0.0056%0.062CC..SBendtrans-132.2152.1174.3-167168.5000109.4H74 L99 L103 H142 T147 S233 I235H74-I144 HydrophobicContact CB-CG2 3.89Å; L99-I144 HydrophobicContact CD2-CD1 4.04Å; L99-I144 HydrophobicContact CD2-CG1 3.66Å; L103-I144 HydrophobicContact CD1-CD1 4.05Å; H142-I144 VanDerWaalsContact C-N 3.26Å; H142-I144 PolarHBondContact O-N 2.92Å; I144-T147 HydrophobicContact CG2-CG2 3.58Å; I144-T147 WeakPolarHBondContact O-CG2 3.39Å; I144-S233 WeakPolarHBondContact CD1-O 3.48Å; I144-S233 VanDerWaalsContact CG1-O 3.31Å; I144-S233 WeakPolarHBondContact CG1-O 3.43Å; I144-I235 HydrophobicContact CG1-CG1 4.37Å
145P93.4Very high97.1Very high1 Ų112.2 Ų12.21%0.0067%0.071CC..SBendtrans-63.3158.7172.6-21.129.2000114.1L99 I235 Y236 Y271L99-P145 HydrophobicContact CD2-CB 3.74Å; L99-P145 HydrophobicContact CD2-CG 3.78Å; P145-I235 HydrophobicContact CG-CB 3.85Å; P145-I235 HydrophobicContact CG-CG1 4.47Å; P145-I235 HydrophobicContact CG-CG2 4.07Å; P145-Y236 VanDerWaalsContact CA-OH 3.29Å; P145-Y236 WeakPolarHBondContact CA-OH 3.29Å; P145-Y236 HydrophobicContact CB-CE1 4.22Å; P145-Y236 HydrophobicContact CB-CE2 4.25Å; P145-Y236 WeakPolarHBondContact CB-OH 3.4Å; P145-Y236 HydrophobicContact CG-CD1 4.19Å; P145-Y236 HydrophobicContact CG-CD2 4.38Å; P145-Y236 HydrophobicContact CG-CE1 3.74Å; P145-Y236 HydrophobicContact CG-CE2 3.97Å; P145-Y236 HydrophobicContact CG-CG 4.48Å; P145-Y271 HydrophobicContact CB-CD1 3.8Å; P145-Y271 HydrophobicContact CB-CD2 4.47Å; P145-Y271 HydrophobicContact CB-CE1 3.85Å; P145-Y271 HydrophobicContact CB-CE2 4.49Å; P145-Y271 HydrophobicContact CB-CG 4.17Å; P145-Y271 HydrophobicContact CG-CD1 3.95Å; P145-Y271 HydrophobicContact CG-CG 4.02Å
146E91.7Very high97.1Very high26 Ų2613.8 Ų13.812%0.1218%0.079CC..SBendtrans5848.2170.5-54.3-169.4115.600114.5P98 L99 Y148 Y271P98-E146 WeakPolarHBondContact CD-OE1 3.45Å; P98-E146 WeakPolarHBondContact CD-OE2 3.41Å; P98-E146 WeakPolarHBondContact CG-OE1 3.3Å; P98-E146 VanDerWaalsContact CG-OE2 3.29Å; P98-E146 WeakPolarHBondContact CG-OE2 3.33Å; L99-E146 WeakPolarHBondContact CB-OE2 3.4Å; L99-E146 PolarHBondContact N-OE2 3.42Å; E146-Y148 HydrophobicContact CB-CE2 4.03Å; E146-Y148 VanDerWaalsContact O-CD2 3.29Å; E146-Y148 WeakPolarHBondContact O-CD2 3.31Å; E146-Y148 WeakPolarHBondContact O-CE2 3.49Å; E146-Y271 HydrophobicContact CG-CE1 4.27Å; E146-Y271 HydrophobicContact CG-CE2 4.41Å; E146-Y271 WeakPolarHBondContact CG-OH 3.49Å; E146-Y271 PolarHBondContact OE1-OH 2.82Å; E146-Y271 PolarHBondContact OE2-OH 3.27Å; E146-Y271 VanDerWaalsContact OE2-OH 3.07Å
147T97.1Very high97.1Very high3 Ų313.7 Ų13.72%0.0188%0.081CC..  trans-86.3124.4173.756.20000110.3T73 H74 L139 T140 H142 I144T73-T147 WeakPolarHBondContact O-CA 3.45Å; H74-T147 HydrophobicContact CB-CG2 3.43Å; H74-T147 VanDerWaalsContact CB-CG2 3.43Å; L139-T147 WeakPolarHBondContact CD1-O 3.22Å; T140-T147 PolarHBondContact N-O 3.09Å; T140-T147 PolarHBondContact O-OG1 3.23Å; T140-T147 VanDerWaalsContact O-OG1 3.04Å; T140-T147 VanDerWaalsContact OG1-CB 3.32Å; T140-T147 WeakPolarHBondContact OG1-CB 3.37Å; T140-T147 PolarHBondContact OG1-O 3.42Å; T140-T147 VanDerWaalsContact OG1-O 3.11Å; T140-T147 PolarHBondContact OG1-OG1 2.6Å; H142-T147 HydrophobicContact CB-CG2 3.44Å; H142-T147 VanDerWaalsContact CB-CG2 3.44Å; I144-T147 HydrophobicContact CG2-CG2 3.58Å; I144-T147 WeakPolarHBondContact O-CG2 3.39Å
148Y98.7Very high97.1Very high10 Ų1015.3 Ų15.34%0.0399%0.088CC..EExtended strand (participates in β ladder)trans-114.3133.9-179.5-63.1-77.9000110.5T73 I122 E124 F137 Y138 L139 E146T73-Y148 WeakPolarHBondContact CB-O 3.17Å; T73-Y148 PolarHBondContact O-N 2.76Å; I122-Y148 HydrophobicContact CD1-CD2 4.23Å; I122-Y148 HydrophobicContact CD1-CE2 4.47Å; I122-Y148 HydrophobicContact CD1-CG 4.5Å; E124-Y148 HydrophobicContact CB-CE1 4.07Å; F137-Y148 HydrophobicContact CB-CD1 4.03Å; F137-Y148 HydrophobicContact CB-CG 4.41Å; Y138-Y148 WeakPolarHBondContact O-CA 3.21Å; L139-Y148 HydrophobicContact CD1-CD1 4.19Å; L139-Y148 HydrophobicContact CD1-CE1 3.89Å; E146-Y148 HydrophobicContact CB-CE2 4.03Å; E146-Y148 VanDerWaalsContact O-CD2 3.29Å; E146-Y148 WeakPolarHBondContact O-CD2 3.31Å; E146-Y148 WeakPolarHBondContact O-CE2 3.49Å
149G98.8Very high97.1Very high0 Ų015.4 Ų15.40%09%0.089CC..EExtended strand (participates in β ladder)trans-75.9149.9153.500000110.1F137 Y138 H161F137-G149 VanDerWaalsContact CA-O 3.3Å; F137-G149 WeakPolarHBondContact CA-O 3.38Å; Y138-G149 PolarHBondContact N-O 2.85Å; Y138-G149 VanDerWaalsContact N-O 3.11Å; Y138-G149 PolarHBondContact O-N 3.36Å; G149-H161 CarbonylContact C-O 3.58Å; G149-H161 WeakPolarHBondContact CA-O 3.49Å
150V98.9Very high97.1Very high1 Ų114.8 Ų14.81%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-113.8132.3-177.3-178.10000109.1I36 T73 I135 F137 V152 H161I36-V150 HydrophobicContact CD1-CB 4.2Å; I36-V150 HydrophobicContact CD1-CG1 4.08Å; I36-V150 HydrophobicContact CG1-CG1 4.4Å; I36-V150 HydrophobicContact CG2-CG2 4.16Å; T73-V150 HydrophobicContact CG2-CG2 4.05Å; I135-V150 HydrophobicContact CG2-CG1 3.8Å; F137-V150 HydrophobicContact CD1-CG2 4.1Å; F137-V150 HydrophobicContact CE1-CG1 4.3Å; F137-V150 HydrophobicContact CE1-CG2 4.19Å; V150-V152 HydrophobicContact CG1-CG2 4.15Å; V150-H161 HydrophobicContact CB-CB 4.32Å; V150-H161 PolarHBondContact N-O 3.27Å; V150-H161 PolarHBondContact O-N 3.19Å
151I98.9Very high97.2Very high8 Ų814.6 Ų14.64%0.0419%0.085CC..EExtended strand (participates in β ladder)trans-112.4116.7175.5-54.1160000107I135 S136 Y138 K158 V160 L184I135-I151 VanDerWaalsContact CA-O 3.31Å; I135-I151 WeakPolarHBondContact CA-O 3.43Å; S136-I151 PolarHBondContact N-O 2.97Å; S136-I151 PolarHBondContact O-N 2.84Å; Y138-I151 HydrophobicContact CD1-CD1 3.74Å; Y138-I151 HydrophobicContact CD1-CG1 3.69Å; Y138-I151 HydrophobicContact CE1-CD1 4.33Å; Y138-I151 HydrophobicContact CE1-CG1 3.8Å; I151-K158 HydrophobicContact CG2-CB 4.37Å; I151-K158 HydrophobicContact CG2-CD 4.44Å; I151-K158 HydrophobicContact CG2-CG 4.33Å; I151-V160 HydrophobicContact CG2-CG2 4.44Å; I151-L184 HydrophobicContact CD1-CD1 3.95Å; I151-L184 HydrophobicContact CD1-CD2 3.78Å; I151-L184 HydrophobicContact CD1-CG 4.49Å; I151-L184 HydrophobicContact CG1-CD1 4.32Å; I151-L184 HydrophobicContact CG1-CD2 3.84Å; I151-L184 HydrophobicContact CG2-CD1 4.14Å
152V98.9Very high97.2Very high1 Ų114.2 Ų14.21%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-103.596.9172.5-171.80000107.4V27 V34 I36 F133 V150 T154 V159V27-V152 HydrophobicContact CB-CG1 4.22Å; V27-V152 HydrophobicContact CG1-CB 4.45Å; V27-V152 HydrophobicContact CG1-CG1 3.98Å; V27-V152 HydrophobicContact CG2-CB 4.41Å; V27-V152 HydrophobicContact CG2-CG2 4.16Å; V34-V152 HydrophobicContact CB-CG1 4.46Å; V34-V152 HydrophobicContact CB-CG2 4.47Å; V34-V152 HydrophobicContact CG1-CG2 3.88Å; V34-V152 HydrophobicContact CG2-CG1 4.25Å; I36-V152 HydrophobicContact CD1-CG2 4.27Å; F133-V152 HydrophobicContact CB-CG1 4.37Å; F133-V152 HydrophobicContact CD1-CG1 3.77Å; F133-V152 HydrophobicContact CE1-CG1 4.12Å; F133-V152 HydrophobicContact CG-CG1 4.05Å; V150-V152 HydrophobicContact CG1-CG2 4.15Å; V152-T154 HydrophobicContact CG1-CG2 4.18Å; V152-V159 HydrophobicContact CB-CB 4.46Å; V152-V159 PolarHBondContact N-O 3.03Å; V152-V159 PolarHBondContact O-N 2.91Å
153D98.7Very high97.4Very high49 Ų4914 Ų1426%0.2628%0.081SC..EExtended strand (participates in β ladder)trans-78.2124.2175.1-156.6-5.4000109.4F133 T134 K158F133-D153 WeakPolarHBondContact CA-O 3.42Å; T134-D153 PolarHBondContact N-O 2.91Å; T134-D153 VanDerWaalsContact N-O 3.1Å; T134-D153 WeakPolarHBondContact O-CB 3.38Å; T134-D153 PolarHBondContact O-N 2.81Å; D153-K158 HydrophobicContact CB-CG 4.19Å; D153-K158 WeakPolarHBondContact OD1-CG 3.13Å; D153-K158 IonicContact OD1-NZ 2.63Å; D153-K158 PolarHBondContact OD1-NZ 3.27Å; D153-K158 WeakPolarHBondContact OD2-CE 3.44Å; D153-K158 IonicContact OD2-NZ 3.88Å; D153-K158 PolarHBondContact OD2-NZ 3.05Å
154T98.5Very high97.7Very high8 Ų813.3 Ų13.35%0.0498%0.077CC..EExtended strand (participates in β ladder)trans-123.9164.7-176.5830000109.7V9 V27 F133 V152 E156 G157V9-T154 HydrophobicContact CG1-CG2 4.19Å; V9-T154 HydrophobicContact CG2-CG2 4.02Å; V9-T154 VanDerWaalsContact CG2-OG1 3.26Å; V9-T154 WeakPolarHBondContact CG2-OG1 3.17Å; V27-T154 HydrophobicContact CG1-CG2 4.42Å; F133-T154 HydrophobicContact CD1-CG2 3.8Å; F133-T154 HydrophobicContact CE1-CG2 3.61Å; V152-T154 HydrophobicContact CG1-CG2 4.18Å; T154-E156 PolarHBondContact O-N 2.81Å; T154-E156 VanDerWaalsContact O-N 3.14Å; T154-E156 PolarHBondContact OG1-N 2.81Å; T154-G157 WeakPolarHBondContact CB-O 3.17Å; T154-G157 PolarHBondContact N-O 3.18Å; T154-G157 PolarHBondContact O-N 2.98Å; T154-G157 VanDerWaalsContact O-N 3.08Å; T154-G157 PolarHBondContact OG1-N 3.38Å; T154-G157 PolarHBondContact OG1-O 2.85Å
155P97.5Very high98Very high76 Ų7613.4 Ų13.449%0.4948%0.077SC..THydrogen-bonded Turntrans-60.7-22.8176.4-26.638.7000114.9Y29 H132Y29-P155 HydrophobicContact CD1-CG 4.24Å; Y29-P155 HydrophobicContact CE1-CB 4.25Å; Y29-P155 HydrophobicContact CE1-CG 3.58Å; H132-P155 WeakPolarHBondContact O-CD 3.47Å
156E97.9Very high98.2Very high34 Ų3413.4 Ų13.416%0.1598%0.077CC..THydrogen-bonded Turntrans-90.4-15.4178.1-60.5-62.9137.600112.8N7 V9 Y29 T154 L190 T425 H426N7-E156 WeakPolarHBondContact O-CG 3.21Å; V9-E156 HydrophobicContact CG2-CB 3.86Å; V9-E156 HydrophobicContact CG2-CG 3.98Å; Y29-E156 HydrophobicContact CE2-CG 3.88Å; T154-E156 PolarHBondContact O-N 2.81Å; T154-E156 VanDerWaalsContact O-N 3.14Å; T154-E156 PolarHBondContact OG1-N 2.81Å; E156-L190 HydrophobicContact CB-CD2 4.18Å; E156-T425 WeakPolarHBondContact OE2-CA 3.09Å; E156-H426 PolarHBondContact OE2-N 2.89Å
157G98.3Very high98.5Very high21 Ų2112.4 Ų12.422%0.2167%0.072CC..EExtended strand (participates in β ladder)trans138.6175.4-178.700000113.7T154T154-G157 WeakPolarHBondContact CB-O 3.17Å; T154-G157 PolarHBondContact N-O 3.18Å; T154-G157 PolarHBondContact O-N 2.98Å; T154-G157 VanDerWaalsContact O-N 3.08Å; T154-G157 PolarHBondContact OG1-N 3.38Å; T154-G157 PolarHBondContact OG1-O 2.85Å
158K98.8Very high98.4Very high36 Ų3612.8 Ų12.816%0.1577%0.074CC..EExtended strand (participates in β ladder)trans-81.4124.5-174.3-68168.6177.445.80111.8I151 D153 V160 L184 E187 L190 C191I151-K158 HydrophobicContact CG2-CB 4.37Å; I151-K158 HydrophobicContact CG2-CD 4.44Å; I151-K158 HydrophobicContact CG2-CG 4.33Å; D153-K158 HydrophobicContact CB-CG 4.19Å; D153-K158 WeakPolarHBondContact OD1-CG 3.13Å; D153-K158 IonicContact OD1-NZ 2.63Å; D153-K158 PolarHBondContact OD1-NZ 3.27Å; D153-K158 WeakPolarHBondContact OD2-CE 3.44Å; D153-K158 IonicContact OD2-NZ 3.88Å; D153-K158 PolarHBondContact OD2-NZ 3.05Å; K158-V160 HydrophobicContact CB-CG2 4.48Å; K158-L184 HydrophobicContact CD-CD1 3.76Å; K158-E187 WeakPolarHBondContact CE-OE2 3.46Å; K158-L190 WeakPolarHBondContact O-CB 3.29Å; K158-L190 PolarHBondContact O-N 3.32Å; K158-C191 PolarHBondContact O-N 3.07Å
159V98.9Very high98.3Very high2 Ų218.4 Ų18.41%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-96121.8165.7-179.30000108.1V9 V11 V27 V152 C191 L193V9-V159 HydrophobicContact CG1-CG2 4.04Å; V11-V159 HydrophobicContact CG2-CG1 4.06Å; V11-V159 HydrophobicContact CG2-CG2 4.14Å; V27-V159 HydrophobicContact CG1-CB 4.47Å; V27-V159 HydrophobicContact CG1-CG2 4.26Å; V27-V159 HydrophobicContact CG2-CB 4.34Å; V27-V159 HydrophobicContact CG2-CG1 3.89Å; V152-V159 HydrophobicContact CB-CB 4.46Å; V152-V159 PolarHBondContact N-O 3.03Å; V152-V159 PolarHBondContact O-N 2.91Å; V159-C191 WeakPolarHBondContact CA-O 3.05Å; V159-L193 HydrophobicContact CG1-CD1 3.45Å; V159-L193 VanDerWaalsContact CG1-CD1 3.45Å
160V98.9Very high98.1Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-112.9128.5-1751790000109.1Y138 I151 K158 L184 V189 C191 L192 L193 I381Y138-V160 HydrophobicContact CE1-CG1 3.85Å; Y138-V160 VanDerWaalsContact OH-CG1 3.26Å; Y138-V160 WeakPolarHBondContact OH-CG1 3.43Å; I151-V160 HydrophobicContact CG2-CG2 4.44Å; K158-V160 HydrophobicContact CB-CG2 4.48Å; V160-L184 HydrophobicContact CB-CD2 4.49Å; V160-L184 HydrophobicContact CG1-CD2 3.93Å; V160-L184 HydrophobicContact CG2-CD1 4.38Å; V160-L184 HydrophobicContact CG2-CD2 3.68Å; V160-L184 HydrophobicContact CG2-CG 4.2Å; V160-V189 HydrophobicContact CB-CG1 4.02Å; V160-V189 HydrophobicContact CG2-CB 4.32Å; V160-V189 HydrophobicContact CG2-CG1 3.57Å; V160-V189 HydrophobicContact CG2-CG2 3.76Å; V160-C191 PolarHBondContact N-O 2.68Å; V160-L192 HydrophobicContact CB-CD1 4.1Å; V160-L192 HydrophobicContact CG1-CD1 3.88Å; V160-L192 CarbonylContact O-C 3.53Å; V160-L192 WeakPolarHBondContact O-CA 3.47Å; V160-L193 PolarHBondContact O-N 3.42Å; V160-I381 HydrophobicContact CG1-CD1 4.48Å
161H98.9Very high97.8Very high2 Ų221.7 Ų21.71%0.00912%0.119CC..EExtended strand (participates in β ladder)trans-113.7125.4175.4-171-77000108.6Y25 I36 Y138 G149 V150 G163 I389Y25-H161 AromaticContact CD2-CE1 3.94Å; Y25-H161 AromaticContact CD2-NE2 3.05Å; Y25-H161 WeakPolarHBondContact CD2-NE2 3.29Å; Y25-H161 AromaticContact CE2-NE2 3.44Å; Y25-H161 WeakPolarHBondContact CE2-NE2 3.26Å; Y25-H161 AromaticContact CG-NE2 3.66Å; I36-H161 HydrophobicContact CD1-CB 3.78Å; Y138-H161 PolarHBondContact OH-O 3.1Å; Y138-H161 VanDerWaalsContact OH-O 3.11Å; G149-H161 CarbonylContact C-O 3.58Å; G149-H161 WeakPolarHBondContact CA-O 3.49Å; V150-H161 HydrophobicContact CB-CB 4.32Å; V150-H161 PolarHBondContact N-O 3.27Å; V150-H161 PolarHBondContact O-N 3.19Å; H161-G163 WeakPolarHBondContact ND1-CA 3.39Å; H161-G163 PolarHBondContact ND1-N 3.13Å; H161-G163 PolarHBondContact O-N 2.87Å; H161-I389 WeakPolarHBondContact NE2-CD1 3.21Å
162T98.9Very high97.4Very high0 Ų023.9 Ų23.90%013%0.133CC..  trans-71.1-22.3-178.558.40000113.5Y138 F165 L192 L193 S194 D195 M377Y138-T162 WeakPolarHBondContact OH-CA 3.5Å; T162-F165 HydrophobicContact CG2-CD1 4.19Å; T162-F165 HydrophobicContact CG2-CE1 4.03Å; T162-L192 HydrophobicContact CG2-CD1 3.73Å; T162-L193 PolarHBondContact N-O 3.11Å; T162-L193 PolarHBondContact OG1-O 3.25Å; T162-S194 WeakPolarHBondContact CG2-OG 3.41Å; T162-S194 WeakPolarHBondContact OG1-CA 3.35Å; T162-D195 PolarHBondContact OG1-N 3.36Å; T162-M377 HydrophobicContact CG2-CE 3.97Å; T162-M377 HydrophobicContact CG2-CG 3.93Å; T162-M377 HydrophobicContact CG2-SD 4.02Å
163G98.5Very high96.9Very high0 Ų025.2 Ų25.20%015%0.146CC..  trans61.2-159.8-15500000109H161H161-G163 WeakPolarHBondContact ND1-CA 3.39Å; H161-G163 PolarHBondContact ND1-N 3.13Å; H161-G163 PolarHBondContact O-N 2.87Å
164D98.4Very high96.7Very high1 Ų129.9 Ų29.91%0.00516%0.164CC..SBendtrans-86.9135.3168.5-7112000109.3H74 H79 H142 H368 H390H74-D164 IonicContact CE1-OD2 2.74Å; H74-D164 IonicContact NE2-OD2 2.73Å; H79-D164 IonicContact CE1-OD1 3Å; H79-D164 PolarHBondContact CE1-OD1 3.08Å; H79-D164 IonicContact CE1-OD2 2.73Å; H79-D164 IonicContact NE2-OD1 2.74Å; H79-D164 PolarHBondContact NE2-OD1 3.18Å; H79-D164 IonicContact NE2-OD2 3.47Å; H79-D164 PolarHBondContact NE2-OD2 3.24Å; H79-D164 VanDerWaalsContact NE2-OD2 3.17Å; H142-D164 WeakPolarHBondContact NE2-CB 3.36Å; H142-D164 IonicContact NE2-OD2 3.94Å; D164-H368 IonicContact OD2-CE1 2.81Å; D164-H368 PolarHBondContact OD2-CE1 2.84Å; D164-H368 IonicContact OD2-ND1 3.55Å; D164-H390 IonicContact OD1-CE1 2.78Å; D164-H390 IonicContact OD1-CG 2.79Å; D164-H390 IonicContact OD1-ND1 3.94Å; D164-H390 PolarHBondContact OD1-ND1 3.01Å; D164-H390 IonicContact OD2-CE1 3.48Å; D164-H390 PolarHBondContact OD2-CE1 3.12Å; D164-H390 IonicContact OD2-ND1 3.38Å; D164-H390 PolarHBondContact OD2-ND1 2.88Å
165F98.5Very high96.5Very high2 Ų233.5 Ų33.51%0.00919%0.188CC..  trans-152.3159.4-173.381.6-76.4000112.4T140 T141 T162 F167 S194 D195 G367 H368 G369 M377T140-F165 HydrophobicContact CG2-CB 4.15Å; T141-F165 CarbonylContact O-C 3.43Å; T141-F165 VanDerWaalsContact O-CA 3.31Å; T141-F165 WeakPolarHBondContact O-CA 3.44Å; T162-F165 HydrophobicContact CG2-CD1 4.19Å; T162-F165 HydrophobicContact CG2-CE1 4.03Å; F165-F167 HydrophobicContact CD2-CD2 4.46Å; F165-F167 HydrophobicContact CD2-CE2 4.26Å; F165-F167 HydrophobicContact CE2-CD2 4.17Å; F165-F167 AromaticContact CE2-CE2 3.82Å; F165-F167 HydrophobicContact CE2-CE2 3.82Å; F165-S194 WeakPolarHBondContact CE1-OG 3.31Å; F165-D195 HydrophobicContact CD1-CB 3.92Å; F165-D195 HydrophobicContact CE1-CB 3.98Å; F165-G367 CarbonylContact C-O 3.59Å; F165-H368 CarbonylContact O-C 3.29Å; F165-H368 WeakPolarHBondContact O-CA 3.45Å; F165-G369 PolarHBondContact O-N 3.23Å; F165-M377 HydrophobicContact CD1-CE 4.29Å; F165-M377 HydrophobicContact CD2-CE 3.52Å; F165-M377 HydrophobicContact CE1-CE 4.28Å; F165-M377 HydrophobicContact CE2-CB 3.84Å; F165-M377 HydrophobicContact CE2-CE 3.52Å; F165-M377 HydrophobicContact CE2-CG 4.24Å; F165-M377 HydrophobicContact CG-CE 3.93Å; F165-M377 HydrophobicContact CZ-CB 3.73Å; F165-M377 HydrophobicContact CZ-CE 3.91Å; F165-M377 HydrophobicContact CZ-CG 3.92Å
166K97.6Very high96.6Very high2 Ų230.5 Ų30.51%0.00917%0.17CC..BIsolated β-bridgetrans-140169.9155.764.3177.3176.5-176.80108.5T141 T205 L206 E208 T365 S366 G367T141-K166 PolarHBondContact O-N 3.37Å; T141-K166 VanDerWaalsContact O-O 3.08Å; T141-K166 PolarHBondContact OG1-O 2.91Å; K166-T205 HydrophobicContact CD-CG2 3.64Å; K166-L206 PolarHBondContact NZ-O 3.13Å; K166-E208 IonicContact NZ-OE1 3.42Å; K166-T365 VanDerWaalsContact NZ-CG2 3.26Å; K166-S366 WeakPolarHBondContact CD-O 3.35Å; K166-S366 PolarHBondContact NZ-O 3.12Å; K166-G367 WeakPolarHBondContact CG-O 3.35Å
167F98Very high96.6Very high5 Ų531.1 Ų31.12%0.02218%0.175CC..  trans-97.9101.4165.6-72.9-76.8000110.4F165 F169 I178 M181 D373 L376 M377 L380F165-F167 HydrophobicContact CD2-CD2 4.46Å; F165-F167 HydrophobicContact CD2-CE2 4.26Å; F165-F167 HydrophobicContact CE2-CD2 4.17Å; F165-F167 AromaticContact CE2-CE2 3.82Å; F165-F167 HydrophobicContact CE2-CE2 3.82Å; F167-F169 HydrophobicContact CB-CE1 4.31Å; F167-F169 HydrophobicContact CB-CE2 4.45Å; F167-F169 HydrophobicContact CB-CZ 4.01Å; F167-I178 HydrophobicContact CD1-CD1 4.23Å; F167-I178 HydrophobicContact CD1-CG1 4.23Å; F167-I178 HydrophobicContact CE1-CD1 4.42Å; F167-I178 HydrophobicContact CE1-CG1 3.99Å; F167-M181 HydrophobicContact CE1-CE 4.35Å; F167-M181 HydrophobicContact CE1-SD 3.8Å; F167-M181 HydrophobicContact CZ-SD 3.89Å; F167-D373 WeakPolarHBondContact CA-OD1 3.37Å; F167-D373 WeakPolarHBondContact CB-OD1 3.46Å; F167-D373 HydrophobicContact CD2-CB 4.03Å; F167-D373 WeakPolarHBondContact CD2-O 3.32Å; F167-D373 VanDerWaalsContact CE2-O 3.27Å; F167-D373 WeakPolarHBondContact CE2-O 3.3Å; F167-D373 PolarHBondContact N-OD1 2.84Å; F167-L376 HydrophobicContact CB-CD2 4.4Å; F167-L376 HydrophobicContact CD1-CD2 3.99Å; F167-L376 HydrophobicContact CD2-CB 4.1Å; F167-L376 HydrophobicContact CD2-CD2 3.73Å; F167-L376 HydrophobicContact CD2-CG 4.1Å; F167-L376 HydrophobicContact CE1-CD2 4.17Å; F167-L376 HydrophobicContact CE2-CB 3.88Å; F167-L376 HydrophobicContact CE2-CD2 3.9Å; F167-L376 HydrophobicContact CE2-CG 3.79Å; F167-L376 HydrophobicContact CG-CD2 3.77Å; F167-L376 HydrophobicContact CZ-CD2 4.12Å; F167-L376 HydrophobicContact CZ-CG 4.02Å; F167-M377 HydrophobicContact CE2-CB 4.04Å; F167-M377 HydrophobicContact CE2-CE 4.27Å; F167-M377 HydrophobicContact CZ-CB 4.44Å; F167-M377 HydrophobicContact CZ-CE 3.94Å; F167-L380 HydrophobicContact CE1-CD1 4.22Å; F167-L380 HydrophobicContact CZ-CD1 3.84Å
168D96.5Very high96.6Very high10 Ų1033 Ų335%0.05318%0.179CC..  trans-100.2101.8167.1-166.5-18.9000109.3T141 T170 P171 S207 E208T141-D168 HydrophobicContact CG2-CB 4.46Å; T141-D168 PolarHBondContact OG1-N 2.81Å; T141-D168 VanDerWaalsContact OG1-N 3.17Å; D168-T170 PolarHBondContact O-N 2.99Å; D168-T170 VanDerWaalsContact O-N 3.16Å; D168-T170 VanDerWaalsContact OD1-CA 3.29Å; D168-T170 WeakPolarHBondContact OD1-CA 3.41Å; D168-T170 PolarHBondContact OD1-N 2.95Å; D168-P171 HydrophobicContact CB-CB 4.13Å; D168-P171 WeakPolarHBondContact O-CD 3.43Å; D168-P171 WeakPolarHBondContact O-CG 3.43Å; D168-S207 VanDerWaalsContact CG-OG 3.25Å; D168-S207 WeakPolarHBondContact OD1-CB 3.25Å; D168-S207 PolarHBondContact OD1-OG 3.29Å; D168-S207 WeakPolarHBondContact OD2-CA 3.22Å; D168-S207 PolarHBondContact OD2-OG 3.02Å; D168-E208 PolarHBondContact OD2-N 3.19Å
169F95.7Very high96.5Very high128 Ų12834.7 Ų34.756%0.56120%0.2SC*.SBendtrans-69.4-6.9175.9-56.1-63.9000113.1F167 I178 F204 L376F167-F169 HydrophobicContact CB-CE1 4.31Å; F167-F169 HydrophobicContact CB-CE2 4.45Å; F167-F169 HydrophobicContact CB-CZ 4.01Å; F169-I178 HydrophobicContact CD1-CD1 4.22Å; F169-I178 HydrophobicContact CE1-CD1 3.87Å; F169-F204 HydrophobicContact CE2-CD1 4.44Å; F169-F204 HydrophobicContact CE2-CE1 4.34Å; F169-F204 HydrophobicContact CZ-CE1 4.4Å; F169-L376 HydrophobicContact CE1-CD2 4.29Å; F169-L376 HydrophobicContact CZ-CD2 3.91Å
170T94.9Very high96.5Very high49 Ų4937 Ų3730%0.30121%0.21SC..SBendtrans-13643.2-171141.80000110D168 S207 R209D168-T170 PolarHBondContact O-N 2.99Å; D168-T170 VanDerWaalsContact O-N 3.16Å; D168-T170 VanDerWaalsContact OD1-CA 3.29Å; D168-T170 WeakPolarHBondContact OD1-CA 3.41Å; D168-T170 PolarHBondContact OD1-N 2.95Å; T170-S207 WeakPolarHBondContact CB-OG 3.48Å; T170-S207 PolarHBondContact O-OG 3.07Å; T170-S207 PolarHBondContact OG1-OG 3.07Å; T170-R209 VanDerWaalsContact O-CB 3.25Å; T170-R209 WeakPolarHBondContact O-CB 3.25Å; T170-R209 VanDerWaalsContact O-CZ 3.28Å; T170-R209 PolarHBondContact O-NE 3.22Å; T170-R209 PolarHBondContact O-NH2 3.28Å; T170-R209 WeakPolarHBondContact OG1-CB 3.28Å; T170-R209 VanDerWaalsContact OG1-CD 3.3Å; T170-R209 WeakPolarHBondContact OG1-CD 3.35Å; T170-R209 PolarHBondContact OG1-NE 3.17Å
171P93.5Very high96.5Very high21 Ų2137.1 Ų37.114%0.13621%0.21CC..  trans-70.4160.9-168.726.6-19.7000111.5T141 D168 P175 R209T141-P171 HydrophobicContact CG2-CB 4.01Å; T141-P171 HydrophobicContact CG2-CG 4.2Å; D168-P171 HydrophobicContact CB-CB 4.13Å; D168-P171 WeakPolarHBondContact O-CD 3.43Å; D168-P171 WeakPolarHBondContact O-CG 3.43Å; P171-P175 HydrophobicContact CG-CB 4.04Å; P171-R209 PolarHBondContact O-NH2 2.91Å
172V89Confident96.5Very high55 Ų5538.7 Ų38.733%0.33322%0.223SC..SBendtrans-74.2-36.6169.4179.60000110.5E208 Y236 Q240V172-E208 HydrophobicContact CG2-CB 3.9Å; V172-Y236 HydrophobicContact CB-CD1 4.02Å; V172-Y236 HydrophobicContact CB-CG 4.36Å; V172-Y236 HydrophobicContact CG1-CD1 3.94Å; V172-Q240 HydrophobicContact CG2-CG 4.39Å
173G89.7Confident96.4Very high28 Ų2844.1 Ų44.129%0.28925%0.249SC..SBendtrans-93.7-154.1177.700000114Y236G173-Y236 WeakPolarHBondContact CA-OH 3.18Å
174K92.9Very high96.4Very high147 Ų14744.4 Ų44.464%0.63925%0.251SS*.PPolyproline II helixtrans-67.2140.9173.7-69.7-177.7178.8177.70109.9L139L139-K174 HydrophobicContact CD2-CB 3.58Å; L139-K174 HydrophobicContact CD2-CD 4.04Å; L139-K174 HydrophobicContact CD2-CG 4.48Å
175P96Very high96.4Very high84 Ų8444.7 Ų44.755%0.54525%0.254SS..PPolyproline II helixtrans-71.5153.1176.231.1-34.9000112L139 P171L139-P175 WeakPolarHBondContact CD2-O 3.26Å; P171-P175 HydrophobicContact CG-CB 4.04Å
176A97.8Very high96.4Very high14 Ų1451.1 Ų51.112%0.11628%0.284CS..PPolyproline II helixtrans-59.9142.1170.800000110.3L139 T141 I178 M181L139-A176 WeakPolarHBondContact O-CA 3.41Å; T141-A176 HydrophobicContact CG2-CB 4.2Å; A176-I178 VanDerWaalsContact C-N 3.3Å; A176-I178 PolarHBondContact O-N 3.04Å; A176-M181 HydrophobicContact CB-CE 4.08Å
177N98.2Very high96.4Very high47 Ų4756.1 Ų56.125%0.25131%0.307SS..  trans-85.273.6-178.4-166.3-15.9000111.5E124 L139 A179 K180 M181E124-N177 WeakPolarHBondContact OE1-CB 3.37Å; E124-N177 PolarHBondContact OE1-ND2 2.86Å; L139-N177 HydrophobicContact CB-CB 4.29Å; L139-N177 PolarHBondContact O-N 3.34Å; N177-A179 PolarHBondContact O-N 3.44Å; N177-K180 HydrophobicContact CB-CB 4.15Å; N177-K180 VanDerWaalsContact CG-CB 3.41Å; N177-K180 PolarHBondContact O-N 2.86Å; N177-K180 WeakPolarHBondContact OD1-CB 3.41Å; N177-K180 PolarHBondContact OD1-N 2.88Å; N177-M181 WeakPolarHBondContact O-CG 3.48Å; N177-M181 PolarHBondContact O-N 2.6Å; N177-M181 VanDerWaalsContact O-N 3.1Å
178I98.2Very high96.4Very high59 Ų5957.7 Ų57.730%0.30333%0.325SS..Hα-helixtrans-58.5-35.9-178.6-59.3176.9000111.4F167 F169 A176 M181 A182 L380F167-I178 HydrophobicContact CD1-CD1 4.23Å; F167-I178 HydrophobicContact CD1-CG1 4.23Å; F167-I178 HydrophobicContact CE1-CD1 4.42Å; F167-I178 HydrophobicContact CE1-CG1 3.99Å; F169-I178 HydrophobicContact CD1-CD1 4.22Å; F169-I178 HydrophobicContact CE1-CD1 3.87Å; A176-I178 VanDerWaalsContact C-N 3.3Å; A176-I178 PolarHBondContact O-N 3.04Å; I178-M181 PolarHBondContact O-N 3.29Å; I178-A182 PolarHBondContact O-N 3.08Å; I178-L380 HydrophobicContact CG2-CD1 3.95Å; I178-L380 HydrophobicContact CG2-CD2 4.06Å
179A98Very high96.5Very high73 Ų7357.5 Ų57.560%0.60332%0.324SS*.Hα-helixtrans-64.6-44179.300000111.9N177 M181 A182 Q183N177-A179 PolarHBondContact O-N 3.44Å; A179-M181 VanDerWaalsContact C-N 3.35Å; A179-A182 PolarHBondContact O-N 3.16Å; A179-Q183 WeakPolarHBondContact O-CB 3.47Å; A179-Q183 PolarHBondContact O-N 2.88Å
180K98.1Very high96.6Very high51 Ų5151.8 Ų51.822%0.22230%0.299CS..Hα-helixtrans-65.9-37.3175.9-167.9170.3-171.6177.10111.8E124 F137 N177 Q183 L184E124-K180 PolarHBondContact O-NZ 2.87Å; F137-K180 WeakPolarHBondContact O-CE 3.36Å; F137-K180 PolarHBondContact O-NZ 2.78Å; N177-K180 HydrophobicContact CB-CB 4.15Å; N177-K180 VanDerWaalsContact CG-CB 3.41Å; N177-K180 PolarHBondContact O-N 2.86Å; N177-K180 WeakPolarHBondContact OD1-CB 3.41Å; N177-K180 PolarHBondContact OD1-N 2.88Å; K180-Q183 PolarHBondContact O-N 3.45Å; K180-L184 VanDerWaalsContact O-CB 3.29Å; K180-L184 WeakPolarHBondContact O-CB 3.38Å; K180-L184 PolarHBondContact O-N 3.12Å
181M98.7Very high96.8Very high1 Ų149.5 Ų49.51%0.00529%0.285CS..Hα-helixtrans-62.5-44.6172.9-63.3170.7-168.900111.9Y138 L139 T140 F167 A176 N177 I178 A179 L184 G185 M377 L380 I381Y138-M181 HydrophobicContact CD2-CE 3.68Å; Y138-M181 HydrophobicContact CD2-CG 3.74Å; Y138-M181 HydrophobicContact CE2-CE 3.86Å; Y138-M181 HydrophobicContact CE2-CG 3.97Å; Y138-M181 HydrophobicContact CE2-SD 4.5Å; L139-M181 WeakPolarHBondContact O-CE 3.32Å; T140-M181 HydrophobicContact CG2-CE 3.94Å; F167-M181 HydrophobicContact CE1-CE 4.35Å; F167-M181 HydrophobicContact CE1-SD 3.8Å; F167-M181 HydrophobicContact CZ-SD 3.89Å; A176-M181 HydrophobicContact CB-CE 4.08Å; N177-M181 WeakPolarHBondContact O-CG 3.48Å; N177-M181 PolarHBondContact O-N 2.6Å; N177-M181 VanDerWaalsContact O-N 3.1Å; I178-M181 PolarHBondContact O-N 3.29Å; A179-M181 VanDerWaalsContact C-N 3.35Å; M181-L184 WeakPolarHBondContact O-CB 3.31Å; M181-L184 PolarHBondContact O-N 3.31Å; M181-G185 PolarHBondContact O-N 3.28Å; M181-G185 VanDerWaalsContact O-N 3.13Å; M181-M377 HydrophobicContact CE-CE 4.3Å; M181-M377 HydrophobicContact SD-CE 4.07Å; M181-M377 HydrophobicContact SD-SD 4.32Å; M181-L380 HydrophobicContact CB-CB 4.31Å; M181-L380 HydrophobicContact CB-CD1 4.29Å; M181-L380 HydrophobicContact SD-CD1 4.32Å; M181-I381 HydrophobicContact CB-CD1 4.21Å
182A98.5Very high97.1Very high35 Ų3548.5 Ų48.529%0.28928%0.279SS..Hα-helixtrans-62.9-45.8176.700000111.6I178 A179 L184 G185 E186 L380I178-A182 PolarHBondContact O-N 3.08Å; A179-A182 PolarHBondContact O-N 3.16Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 3.45Å; A182-G185 PolarHBondContact O-N 2.94Å; A182-E186 PolarHBondContact O-N 3.28Å; A182-E186 VanDerWaalsContact O-N 3.09Å; A182-L380 HydrophobicContact CB-CD2 3.86Å
183Q98.3Very high97.5Very high114 Ų11446 Ų4653%0.53326%0.263SS..Hα-helixtrans-59.2-43.4176.3-178.4-177.9-14.500111.4A179 K180 G185 E186 E187A179-Q183 WeakPolarHBondContact O-CB 3.47Å; A179-Q183 PolarHBondContact O-N 2.88Å; K180-Q183 PolarHBondContact O-N 3.45Å; Q183-G185 VanDerWaalsContact C-N 3.28Å; Q183-G185 PolarHBondContact O-N 3.06Å; Q183-E186 PolarHBondContact O-N 2.92Å; Q183-E186 VanDerWaalsContact O-N 3.11Å; Q183-E187 HydrophobicContact CG-CG 4.5Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.41Å; Q183-E187 PolarHBondContact NE2-OE1 3.07Å; Q183-E187 WeakPolarHBondContact O-CG 3.2Å; Q183-E187 PolarHBondContact O-N 3.07Å
184L97.8Very high98Very high7 Ų744.6 Ų44.64%0.03725%0.249CC..Hα-helixtrans-58.6-40.1177.5-176.963.1000112Y138 I151 K158 V160 K180 M181 A182 E187 G188 V189 I381Y138-L184 HydrophobicContact CD1-CD2 4.5Å; Y138-L184 HydrophobicContact CE1-CD2 4.33Å; I151-L184 HydrophobicContact CD1-CD1 3.95Å; I151-L184 HydrophobicContact CD1-CD2 3.78Å; I151-L184 HydrophobicContact CD1-CG 4.49Å; I151-L184 HydrophobicContact CG1-CD1 4.32Å; I151-L184 HydrophobicContact CG1-CD2 3.84Å; I151-L184 HydrophobicContact CG2-CD1 4.14Å; K158-L184 HydrophobicContact CD-CD1 3.76Å; V160-L184 HydrophobicContact CB-CD2 4.49Å; V160-L184 HydrophobicContact CG1-CD2 3.93Å; V160-L184 HydrophobicContact CG2-CD1 4.38Å; V160-L184 HydrophobicContact CG2-CD2 3.68Å; V160-L184 HydrophobicContact CG2-CG 4.2Å; K180-L184 VanDerWaalsContact O-CB 3.29Å; K180-L184 WeakPolarHBondContact O-CB 3.38Å; K180-L184 PolarHBondContact O-N 3.12Å; M181-L184 WeakPolarHBondContact O-CB 3.31Å; M181-L184 PolarHBondContact O-N 3.31Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 3.45Å; L184-E187 PolarHBondContact O-N 3.03Å; L184-G188 PolarHBondContact O-N 3.17Å; L184-V189 HydrophobicContact CD1-CG2 4.27Å; L184-V189 HydrophobicContact CG-CG2 3.82Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å; L184-I381 HydrophobicContact CD2-CD1 3.96Å
185G98.3Very high98.3Very high7 Ų737.7 Ų37.77%0.07222%0.219CC..Hα-helixtrans-68.6-33.9174.600000114.2M181 A182 Q183 G188 L380 I381M181-G185 PolarHBondContact O-N 3.28Å; M181-G185 VanDerWaalsContact O-N 3.13Å; A182-G185 PolarHBondContact O-N 2.94Å; Q183-G185 VanDerWaalsContact C-N 3.28Å; Q183-G185 PolarHBondContact O-N 3.06Å; G185-G188 PolarHBondContact O-N 3.26Å; G185-L380 WeakPolarHBondContact CA-O 3.33Å; G185-I381 WeakPolarHBondContact CA-O 3.19Å
186E98.2Very high98.4Very high137 Ų13733.7 Ų33.764%0.6419%0.193SC*.Hα-helixtrans-69.8-33.4173.5-65.3-57.7139.100112.7A182 Q183 G188 K382A182-E186 PolarHBondContact O-N 3.28Å; A182-E186 VanDerWaalsContact O-N 3.09Å; Q183-E186 PolarHBondContact O-N 2.92Å; Q183-E186 VanDerWaalsContact O-N 3.11Å; E186-G188 PolarHBondContact O-N 3.17Å; E186-K382 IonicContact OE1-NZ 3.76Å; E186-K382 PolarHBondContact OE1-NZ 3.14Å
187E97.7Very high98.4Very high106 Ų10633.9 Ų33.950%0.49519%0.193SC..Hα-helixtrans-69.4-19.4174.4-71.4175.4-165.200113K158 Q183 L184K158-E187 WeakPolarHBondContact CE-OE2 3.46Å; Q183-E187 HydrophobicContact CG-CG 4.5Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.41Å; Q183-E187 PolarHBondContact NE2-OE1 3.07Å; Q183-E187 WeakPolarHBondContact O-CG 3.2Å; Q183-E187 PolarHBondContact O-N 3.07Å; L184-E187 PolarHBondContact O-N 3.03Å
188G97.8Very high98.3Very high38 Ų3832.9 Ų32.939%0.39219%0.188SC..  trans93.9123.3-179.700000112.9L184 G185 E186L184-G188 PolarHBondContact O-N 3.17Å; G185-G188 PolarHBondContact O-N 3.26Å; E186-G188 PolarHBondContact O-N 3.17Å
189V98.7Very high98.3Very high7 Ų730.2 Ų30.24%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-113.5123.8178.3172.80000110.1V160 L184 I381 P383 K384V160-V189 HydrophobicContact CB-CG1 4.02Å; V160-V189 HydrophobicContact CG2-CB 4.32Å; V160-V189 HydrophobicContact CG2-CG1 3.57Å; V160-V189 HydrophobicContact CG2-CG2 3.76Å; L184-V189 HydrophobicContact CD1-CG2 4.27Å; L184-V189 HydrophobicContact CG-CG2 3.82Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å; V189-I381 HydrophobicContact CB-CG2 3.94Å; V189-I381 HydrophobicContact CG1-CG2 3.81Å; V189-I381 HydrophobicContact CG2-CG2 3.9Å; V189-P383 HydrophobicContact CG1-CB 4.19Å; V189-K384 PolarHBondContact O-N 3.08Å
190L98.7Very high98.2Very high8 Ų831.2 Ų31.24%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-70.4-53.2179.8176.862.9000110.4E156 K158 Y385 L424 T425E156-L190 HydrophobicContact CB-CD2 4.18Å; K158-L190 WeakPolarHBondContact O-CB 3.29Å; K158-L190 PolarHBondContact O-N 3.32Å; L190-Y385 HydrophobicContact CD1-CD2 3.76Å; L190-Y385 HydrophobicContact CD1-CE2 3.73Å; L190-Y385 HydrophobicContact CG-CD2 4.36Å; L190-Y385 WeakPolarHBondContact O-CB 3.25Å; L190-Y385 VanDerWaalsContact O-CD2 3.28Å; L190-Y385 WeakPolarHBondContact O-CD2 3.26Å; L190-Y385 PolarHBondContact O-N 3.49Å; L190-L424 HydrophobicContact CD2-CB 4.01Å; L190-L424 HydrophobicContact CD2-CD1 4.48Å; L190-L424 HydrophobicContact CG-CB 4.48Å; L190-T425 WeakPolarHBondContact CD1-O 3.17Å
191C98.9Very high98.1Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-141.1136.5-178.7-173.70000111.2K158 V159 V160 Y385 L424K158-C191 PolarHBondContact O-N 3.07Å; V159-C191 WeakPolarHBondContact CA-O 3.05Å; V160-C191 PolarHBondContact N-O 2.68Å; C191-Y385 VanDerWaalsContact CA-O 3.27Å; C191-Y385 WeakPolarHBondContact CA-O 3.42Å; C191-L424 HydrophobicContact CB-CD1 3.54Å
192L98.9Very high97.8Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-109.4127.2171.9174.764.8000110.5V160 T162 M377 L378 I381 P383 Y385 F386 L387V160-L192 HydrophobicContact CB-CD1 4.1Å; V160-L192 HydrophobicContact CG1-CD1 3.88Å; V160-L192 CarbonylContact O-C 3.53Å; V160-L192 WeakPolarHBondContact O-CA 3.47Å; T162-L192 HydrophobicContact CG2-CD1 3.73Å; L192-M377 HydrophobicContact CD2-CG 4.4Å; L192-L378 HydrophobicContact CD2-CD2 4.16Å; L192-I381 HydrophobicContact CB-CG2 4.22Å; L192-I381 HydrophobicContact CD1-CG2 4.14Å; L192-I381 HydrophobicContact CD2-CB 4.18Å; L192-I381 HydrophobicContact CD2-CG1 4.47Å; L192-I381 HydrophobicContact CD2-CG2 4.02Å; L192-I381 HydrophobicContact CG-CG2 4.35Å; L192-P383 HydrophobicContact CB-CB 3.54Å; L192-P383 HydrophobicContact CB-CG 3.76Å; L192-P383 HydrophobicContact CD2-CG 4.03Å; L192-Y385 PolarHBondContact N-O 2.95Å; L192-F386 HydrophobicContact CB-CD2 4.08Å; L192-F386 HydrophobicContact CD2-CD2 4.15Å; L192-F386 HydrophobicContact CD2-CE2 3.98Å; L192-F386 HydrophobicContact CG-CD2 4.15Å; L192-F386 HydrophobicContact CG-CE2 4.11Å; L192-F386 WeakPolarHBondContact O-CD2 3.41Å; L192-L387 PolarHBondContact O-N 3.25Å
193L98.9Very high97.5Very high2 Ų239.8 Ų39.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-100.8113.7165.9-65.880000108.1V11 V159 V160 T162 L387 I389V11-L193 HydrophobicContact CG1-CD1 3.93Å; V11-L193 HydrophobicContact CG1-CD2 3.71Å; V11-L193 HydrophobicContact CG1-CG 4.19Å; V159-L193 HydrophobicContact CG1-CD1 3.45Å; V159-L193 VanDerWaalsContact CG1-CD1 3.45Å; V160-L193 PolarHBondContact O-N 3.42Å; T162-L193 PolarHBondContact N-O 3.11Å; T162-L193 PolarHBondContact OG1-O 3.25Å; L193-L387 WeakPolarHBondContact CA-O 3.46Å; L193-L387 HydrophobicContact CD2-CD2 3.91Å; L193-L387 HydrophobicContact CG-CB 4.33Å; L193-L387 HydrophobicContact CG-CD2 3.92Å; L193-I389 HydrophobicContact CB-CD1 3.93Å; L193-I389 HydrophobicContact CB-CG1 4.27Å; L193-I389 HydrophobicContact CB-CG2 3.87Å; L193-I389 HydrophobicContact CD2-CG2 4.04Å; L193-I389 HydrophobicContact CG-CG2 4.14Å
194S98.9Very high97.3Very high0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-127.1138.4-173.5-163.80000114.9T162 F165 S196 L387 I389 H399T162-S194 WeakPolarHBondContact CG2-OG 3.41Å; T162-S194 WeakPolarHBondContact OG1-CA 3.35Å; F165-S194 WeakPolarHBondContact CE1-OG 3.31Å; S194-S196 PolarHBondContact O-N 3.43Å; S194-S196 PolarHBondContact O-OG 2.83Å; S194-L387 PolarHBondContact N-O 3.15Å; S194-I389 VanDerWaalsContact C-CG1 3.48Å; S194-I389 WeakPolarHBondContact O-CG1 3.23Å; S194-I389 PolarHBondContact O-N 2.67Å; S194-I389 VanDerWaalsContact O-O 3.13Å; S194-H399 PolarHBondContact OG-CE1 2.91Å
195D98.8Very high97.2Very high2 Ų240 Ų401%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-56.5121.1177177.610.7000112.3T162 F165 T197 H368 Q374 H390 H399T162-D195 PolarHBondContact OG1-N 3.36Å; F165-D195 HydrophobicContact CD1-CB 3.92Å; F165-D195 HydrophobicContact CE1-CB 3.98Å; D195-T197 VanDerWaalsContact OD1-CB 3.29Å; D195-T197 WeakPolarHBondContact OD1-CB 3.49Å; D195-T197 PolarHBondContact OD1-N 3.41Å; D195-T197 PolarHBondContact OD1-OG1 2.77Å; D195-H368 IonicContact OD1-ND1 3.74Å; D195-H368 IonicContact OD2-CE1 3.22Å; D195-H368 IonicContact OD2-CG 3.87Å; D195-H368 IonicContact OD2-ND1 3.17Å; D195-H368 PolarHBondContact OD2-ND1 3.04Å; D195-Q374 PolarHBondContact O-NE2 2.9Å; D195-H390 IonicContact OD1-CG 2.75Å; D195-H390 IonicContact OD1-ND1 3.73Å; D195-H390 PolarHBondContact OD1-ND1 2.92Å; D195-H399 PolarHBondContact O-CE1 2.62Å; D195-H399 PolarHBondContact O-ND1 3.3Å
196S98.7Very high96.9Very high0 Ų042.3 Ų42.30%023%0.23CC..  trans-105-3.2-174.4-48.90000113.5S194 N198 S199 P388 I389 H390 M395 H399S194-S196 PolarHBondContact O-N 3.43Å; S194-S196 PolarHBondContact O-OG 2.83Å; S196-N198 PolarHBondContact O-N 2.9Å; S196-S199 WeakPolarHBondContact O-CB 3.47Å; S196-S199 PolarHBondContact O-N 3.47Å; S196-S199 PolarHBondContact O-OG 2.71Å; S196-S199 VanDerWaalsContact O-OG 3.08Å; S196-P388 WeakPolarHBondContact OG-CB 3.48Å; S196-I389 WeakPolarHBondContact CB-O 3.16Å; S196-I389 PolarHBondContact N-O 3.11Å; S196-I389 PolarHBondContact OG-N 3.21Å; S196-I389 PolarHBondContact OG-O 2.89Å; S196-H390 CarbonylContact C-O 3.54Å; S196-H390 PolarHBondContact N-O 3.34Å; S196-M395 WeakPolarHBondContact O-CB 3.36Å; S196-H399 WeakPolarHBondContact CA-ND1 3.41Å; S196-H399 WeakPolarHBondContact CB-ND1 3.37Å; S196-H399 PolarHBondContact OG-ND1 2.81Å
197T97Very high96.6Very high17 Ų1736.7 Ų36.710%0.10421%0.205CC..THydrogen-bonded Turntrans-50.1-40-165.7-62.20000113.8I20 D195 H368 H390I20-T197 HydrophobicContact CD1-CG2 4.04Å; D195-T197 VanDerWaalsContact OD1-CB 3.29Å; D195-T197 WeakPolarHBondContact OD1-CB 3.49Å; D195-T197 PolarHBondContact OD1-N 3.41Å; D195-T197 PolarHBondContact OD1-OG1 2.77Å; T197-H368 HydrophobicContact CG2-CB 4.22Å; T197-H390 PolarHBondContact N-O 3.34Å; T197-H390 VanDerWaalsContact N-O 3.1Å; T197-H390 PolarHBondContact OG1-ND1 2.87Å; T197-H390 VanDerWaalsContact OG1-ND1 3.11Å; T197-H390 PolarHBondContact OG1-O 3.06Å
198N96.6Very high96.2Very high27 Ų2731.8 Ų31.814%0.14418%0.182CC..THydrogen-bonded Turntrans-108.220.7-177.9-86.4-6.6000114.2S196 L200 V201 S366 H368 G369S196-N198 PolarHBondContact O-N 2.9Å; N198-L200 PolarHBondContact O-N 2.91Å; N198-V201 HydrophobicContact CB-CB 4.42Å; N198-V201 HydrophobicContact CB-CG2 4.25Å; N198-V201 WeakPolarHBondContact O-CB 3.48Å; N198-V201 PolarHBondContact O-N 3.49Å; N198-S366 WeakPolarHBondContact ND2-CB 3.44Å; N198-S366 PolarHBondContact ND2-OG 2.89Å; N198-H368 HydrophobicContact CB-CB 4.18Å; N198-H368 PolarHBondContact ND2-O 3.35Å; N198-G369 WeakPolarHBondContact CB-O 3.2Å
199S97.8Very high95.9Very high3 Ų335.3 Ų35.32%0.02118%0.184CC..THydrogen-bonded Turntrans-62.1-17.6-177.562.80000115.3S196 Q374 M395S196-S199 WeakPolarHBondContact O-CB 3.47Å; S196-S199 PolarHBondContact O-N 3.47Å; S196-S199 PolarHBondContact O-OG 2.71Å; S196-S199 VanDerWaalsContact O-OG 3.08Å; S199-Q374 VanDerWaalsContact CA-OE1 3.24Å; S199-Q374 VanDerWaalsContact CB-OE1 3.32Å; S199-M395 VanDerWaalsContact OG-C 3.32Å; S199-M395 VanDerWaalsContact OG-CA 3.23Å; S199-M395 WeakPolarHBondContact OG-CA 3.17Å; S199-M395 PolarHBondContact OG-O 3.42Å
200L96.9Very high95.4Very high94 Ų9438.6 Ų38.649%0.49220%0.199SC..THydrogen-bonded Turntrans-91.8-2.9175.7-65.6171.9000113.4N198 R394 A398N198-L200 PolarHBondContact O-N 2.91Å; L200-R394 HydrophobicContact CD1-CB 4.37Å; L200-R394 HydrophobicContact CD1-CG 3.91Å; L200-A398 HydrophobicContact CD2-CB 3.62Å; L200-A398 HydrophobicContact CG-CB 4.27Å
201V95.7Very high94.9Very high61 Ų6138.2 Ų38.237%0.3720%0.197SC..SBendtrans-96.2118.8178.7-175.70000107.9N198 S370 Q371N198-V201 HydrophobicContact CB-CB 4.42Å; N198-V201 HydrophobicContact CB-CG2 4.25Å; N198-V201 WeakPolarHBondContact O-CB 3.48Å; N198-V201 PolarHBondContact O-N 3.49Å; V201-S370 WeakPolarHBondContact CG1-OG 3.35Å; V201-S370 WeakPolarHBondContact O-CB 3.2Å; V201-Q371 PolarHBondContact O-N 3.17Å
202P93.3Very high94.5Very high78 Ų7838.9 Ų38.951%0.50620%0.204SC..  trans-69.6170.6177.431.2-35.4000111.2
203D91.5Very high94.1Very high127 Ų12744 Ų4468%0.67923%0.228SC*.SBendtrans65-168.4177.2-53-47.3000114.3S370 G372D203-S370 WeakPolarHBondContact O-CB 3.28Å; D203-G372 PolarHBondContact O-N 3.21Å
204F95.1Very high93.7Very high108 Ų10844.9 Ų44.947%0.47423%0.233SC..PPolyproline II helixtrans-92145.9174.4-84.2-88.6000111.1F169 G372 D373 L376F169-F204 HydrophobicContact CE2-CD1 4.44Å; F169-F204 HydrophobicContact CE2-CE1 4.34Å; F169-F204 HydrophobicContact CZ-CE1 4.4Å; F204-G372 VanDerWaalsContact CE1-C 3.46Å; F204-G372 WeakPolarHBondContact CE1-O 3.4Å; F204-G372 VanDerWaalsContact CZ-C 3.5Å; F204-G372 VanDerWaalsContact CZ-O 3.25Å; F204-G372 WeakPolarHBondContact CZ-O 3.31Å; F204-D373 HydrophobicContact CD1-CB 4.42Å; F204-L376 HydrophobicContact CE1-CD2 4.43Å
205T94.2Very high93.4Very high17 Ų1744.9 Ų44.910%0.10423%0.233CC..PPolyproline II helixtrans-66.8139.3174.4-69.60000112K166 T365 S366 H368 S370 D373K166-T205 HydrophobicContact CD-CG2 3.64Å; T205-T365 VanDerWaalsContact CG2-OG1 3.3Å; T205-T365 WeakPolarHBondContact CG2-OG1 3.34Å; T205-S366 WeakPolarHBondContact CG2-O 3.36Å; T205-H368 PolarHBondContact OG1-O 2.79Å; T205-S370 PolarHBondContact OG1-N 3.44Å; T205-S370 PolarHBondContact OG1-OG 3.25Å; T205-D373 PolarHBondContact N-OD2 3.46Å
206L91.8Very high93.1Very high56 Ų5645.9 Ų45.929%0.29324%0.238SC..PPolyproline II helixtrans-61.9140.7-179.9-163.869.9000112.2K166 E210 V211 N362 T365K166-L206 PolarHBondContact NZ-O 3.13Å; L206-E210 VanDerWaalsContact CD1-OE2 3.22Å; L206-E210 WeakPolarHBondContact CD1-OE2 3.22Å; L206-E210 HydrophobicContact CD2-CB 4.45Å; L206-E210 HydrophobicContact CD2-CG 4.42Å; L206-E210 HydrophobicContact CG-CB 4.31Å; L206-V211 HydrophobicContact CD2-CG2 4.33Å; L206-N362 HydrophobicContact CD2-CB 4.4Å; L206-T365 WeakPolarHBondContact CB-OG1 3.27Å; L206-T365 WeakPolarHBondContact O-CB 2.99Å; L206-T365 WeakPolarHBondContact O-CG2 2.98Å; L206-T365 PolarHBondContact O-OG1 2.66Å
207S92.9Very high92.8Very high19 Ų1951 Ų5113%0.13326%0.26CS..PPolyproline II helixtrans-65.2142176.3179.20000112.2D168 T170 R209 E210D168-S207 VanDerWaalsContact CG-OG 3.25Å; D168-S207 WeakPolarHBondContact OD1-CB 3.25Å; D168-S207 PolarHBondContact OD1-OG 3.29Å; D168-S207 WeakPolarHBondContact OD2-CA 3.22Å; D168-S207 PolarHBondContact OD2-OG 3.02Å; T170-S207 WeakPolarHBondContact CB-OG 3.48Å; T170-S207 PolarHBondContact O-OG 3.07Å; T170-S207 PolarHBondContact OG1-OG 3.07Å; S207-R209 PolarHBondContact O-N 3.17Å; S207-R209 PolarHBondContact OG-N 3.3Å; S207-E210 PolarHBondContact O-N 3.41Å
208E90Very high92.6Very high3 Ų351.1 Ų51.11%0.01426%0.26CS..Hα-helixtrans-61.2-28.6172.2-81.2-66164.500112K166 D168 V172 E210 V211 G212 R237 Q240 T365K166-E208 IonicContact NZ-OE1 3.42Å; D168-E208 PolarHBondContact OD2-N 3.19Å; V172-E208 HydrophobicContact CG2-CB 3.9Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.23Å; E208-V211 WeakPolarHBondContact O-CB 3.49Å; E208-V211 PolarHBondContact O-N 2.87Å; E208-G212 PolarHBondContact O-N 2.89Å; E208-R237 VanDerWaalsContact CD-NH2 3.27Å; E208-R237 IonicContact OE1-NH2 2.68Å; E208-R237 PolarHBondContact OE1-NH2 3.25Å; E208-R237 IonicContact OE2-CZ 2.65Å; E208-R237 IonicContact OE2-NE 2.91Å; E208-R237 PolarHBondContact OE2-NE 3.11Å; E208-R237 IonicContact OE2-NH2 3.21Å; E208-R237 PolarHBondContact OE2-NH2 3.18Å; E208-Q240 PolarHBondContact O-NE2 2.98Å; E208-T365 HydrophobicContact CG-CG2 4.02Å; E208-T365 WeakPolarHBondContact OE1-CG2 3.17Å
209R89.6Confident92.5Very high113 Ų11349.9 Ų49.943%0.42625%0.253SS..Hα-helixtrans-64.1-38.6178.5-173.3-174.1-51.7-176.6-0.6112.5T170 P171 S207 V211 G212 Q213T170-R209 VanDerWaalsContact O-CB 3.25Å; T170-R209 WeakPolarHBondContact O-CB 3.25Å; T170-R209 VanDerWaalsContact O-CZ 3.28Å; T170-R209 PolarHBondContact O-NE 3.22Å; T170-R209 PolarHBondContact O-NH2 3.28Å; T170-R209 WeakPolarHBondContact OG1-CB 3.28Å; T170-R209 VanDerWaalsContact OG1-CD 3.3Å; T170-R209 WeakPolarHBondContact OG1-CD 3.35Å; T170-R209 PolarHBondContact OG1-NE 3.17Å; P171-R209 PolarHBondContact O-NH2 2.91Å; S207-R209 PolarHBondContact O-N 3.17Å; S207-R209 PolarHBondContact OG-N 3.3Å; R209-V211 VanDerWaalsContact C-N 3.32Å; R209-G212 PolarHBondContact O-N 3.1Å; R209-Q213 WeakPolarHBondContact O-CG 3.48Å; R209-Q213 PolarHBondContact O-N 3.46Å; R209-Q213 VanDerWaalsContact O-N 3.12Å
210E89Confident92.3Very high76 Ų7656.5 Ų56.536%0.35528%0.278SS..Hα-helixtrans-65.5-40.7176.3-171.7174.9145.300110.9L206 S207 E208 G212 Q213 N214L206-E210 VanDerWaalsContact CD1-OE2 3.22Å; L206-E210 WeakPolarHBondContact CD1-OE2 3.22Å; L206-E210 HydrophobicContact CD2-CB 4.45Å; L206-E210 HydrophobicContact CD2-CG 4.42Å; L206-E210 HydrophobicContact CG-CB 4.31Å; S207-E210 PolarHBondContact O-N 3.41Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.23Å; E210-G212 VanDerWaalsContact C-N 3.33Å; E210-G212 PolarHBondContact O-N 3.43Å; E210-Q213 WeakPolarHBondContact O-CB 3.45Å; E210-Q213 PolarHBondContact O-N 2.9Å; E210-N214 PolarHBondContact O-N 2.75Å; E210-N214 VanDerWaalsContact O-N 3.15Å; E210-N214 PolarHBondContact O-ND2 3Å
211V88.8Confident92.1Very high0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-59.8-45.1174.2179.40000111L206 E208 R209 Q213 N214 V215 R237 I363 T365L206-V211 HydrophobicContact CD2-CG2 4.33Å; E208-V211 WeakPolarHBondContact O-CB 3.49Å; E208-V211 PolarHBondContact O-N 2.87Å; R209-V211 VanDerWaalsContact C-N 3.32Å; V211-Q213 VanDerWaalsContact C-N 3.3Å; V211-Q213 PolarHBondContact O-N 3.21Å; V211-N214 PolarHBondContact O-N 3Å; V211-N214 VanDerWaalsContact O-N 3.07Å; V211-V215 HydrophobicContact CG1-CG2 4.32Å; V211-V215 WeakPolarHBondContact O-CG2 3.33Å; V211-V215 PolarHBondContact O-N 3.26Å; V211-R237 VanDerWaalsContact CG1-CZ 3.49Å; V211-I363 WeakPolarHBondContact CG1-O 3.46Å; V211-T365 HydrophobicContact CG2-CG2 3.8Å
212G89.8Confident92Very high14 Ų1455.9 Ų55.914%0.14427%0.274CS..Hα-helixtrans-58-38.9176.500000113.5E208 R209 E210 N214 V215 D216E208-G212 PolarHBondContact O-N 2.89Å; R209-G212 PolarHBondContact O-N 3.1Å; E210-G212 VanDerWaalsContact C-N 3.33Å; E210-G212 PolarHBondContact O-N 3.43Å; G212-N214 VanDerWaalsContact C-N 3.34Å; G212-N214 PolarHBondContact O-N 2.82Å; G212-V215 PolarHBondContact O-N 2.82Å; G212-D216 PolarHBondContact O-N 3.11Å
213Q90.6Very high91.9Very high106 Ų10660.7 Ų60.750%0.49529%0.287SS..Hα-helixtrans-64.3-38.8174.9-67.5172.83.200112.1R209 E210 V211 D216 K217R209-Q213 WeakPolarHBondContact O-CG 3.48Å; R209-Q213 PolarHBondContact O-N 3.46Å; R209-Q213 VanDerWaalsContact O-N 3.12Å; E210-Q213 WeakPolarHBondContact O-CB 3.45Å; E210-Q213 PolarHBondContact O-N 2.9Å; V211-Q213 VanDerWaalsContact C-N 3.3Å; V211-Q213 PolarHBondContact O-N 3.21Å; Q213-D216 PolarHBondContact O-N 2.84Å; Q213-K217 WeakPolarHBondContact O-CG 3.19Å; Q213-K217 PolarHBondContact O-N 2.78Å; Q213-K217 VanDerWaalsContact O-N 3.08Å
214N90.8Very high92.1Very high22 Ų2254.7 Ų54.712%0.11826%0.255CS..Hα-helixtrans-72-35.9177.3-66.1-29.6000111.9E210 V211 G212 K217 I218 N362E210-N214 PolarHBondContact O-N 2.75Å; E210-N214 VanDerWaalsContact O-N 3.15Å; E210-N214 PolarHBondContact O-ND2 3Å; V211-N214 PolarHBondContact O-N 3Å; V211-N214 VanDerWaalsContact O-N 3.07Å; G212-N214 VanDerWaalsContact C-N 3.34Å; G212-N214 PolarHBondContact O-N 2.82Å; N214-K217 PolarHBondContact O-N 2.96Å; N214-K217 PolarHBondContact OD1-NZ 3.44Å; N214-K217 VanDerWaalsContact OD1-NZ 3.07Å; N214-I218 WeakPolarHBondContact O-CG1 3.46Å; N214-I218 PolarHBondContact O-N 3.47Å; N214-I218 VanDerWaalsContact O-N 3.08Å; N214-N362 WeakPolarHBondContact ND2-CB 3.29Å; N214-N362 PolarHBondContact ND2-O 3.07Å
215V92Very high92.2Very high0 Ų050.4 Ų50.40%024%0.236CC..Hα-helixtrans-59.6-47.6170.7172.20000110.7V211 G212 K217 I218 F219 F228 A244V211-V215 HydrophobicContact CG1-CG2 4.32Å; V211-V215 WeakPolarHBondContact O-CG2 3.33Å; V211-V215 PolarHBondContact O-N 3.26Å; G212-V215 PolarHBondContact O-N 2.82Å; V215-K217 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 3.22Å; V215-I218 PolarHBondContact O-N 2.86Å; V215-F219 HydrophobicContact CG1-CD2 4.03Å; V215-F219 HydrophobicContact CG1-CE2 3.78Å; V215-F219 VanDerWaalsContact O-CD2 3.22Å; V215-F219 WeakPolarHBondContact O-CD2 3.17Å; V215-F219 PolarHBondContact O-N 2.73Å; V215-F228 HydrophobicContact CG1-CE2 3.86Å; V215-F228 HydrophobicContact CG1-CZ 4.24Å; V215-F228 HydrophobicContact CG2-CE2 4.08Å; V215-F228 HydrophobicContact CG2-CZ 4.05Å; V215-A244 HydrophobicContact CG1-CB 4.18Å
216D92.4Very high92.3Very high22 Ų2249.6 Ų49.612%0.11823%0.231CC..Hα-helixtrans-61.3-39.8177.2-17547.2000112.4G212 Q213 I218 F219 R220 K247 N248G212-D216 PolarHBondContact O-N 3.11Å; Q213-D216 PolarHBondContact O-N 2.84Å; D216-I218 VanDerWaalsContact C-N 3.33Å; D216-I218 PolarHBondContact O-N 3.08Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-R220 PolarHBondContact O-N 2.84Å; D216-R220 VanDerWaalsContact O-N 3.09Å; D216-R220 IonicContact OD2-CZ 3.25Å; D216-R220 IonicContact OD2-NH2 2.84Å; D216-R220 PolarHBondContact OD2-NH2 3.48Å; D216-K247 IonicContact OD1-NZ 2.81Å; D216-K247 IonicContact OD2-NZ 3.39Å; D216-K247 PolarHBondContact OD2-NZ 3.09Å; D216-N248 PolarHBondContact OD1-ND2 3.11Å; D216-N248 VanDerWaalsContact OD1-ND2 3.15Å
217K92.6Very high92.6Very high107 Ų10747 Ų4747%0.46522%0.217SC..Hα-helixtrans-60-42.2175.4-72.9171.1-165.1162.30112Q213 N214 V215 N221Q213-K217 WeakPolarHBondContact O-CG 3.19Å; Q213-K217 PolarHBondContact O-N 2.78Å; Q213-K217 VanDerWaalsContact O-N 3.08Å; N214-K217 PolarHBondContact O-N 2.96Å; N214-K217 PolarHBondContact OD1-NZ 3.44Å; N214-K217 VanDerWaalsContact OD1-NZ 3.07Å; V215-K217 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 3.22Å; K217-N221 VanDerWaalsContact O-CG 3.28Å; K217-N221 PolarHBondContact O-N 3.38Å; K217-N221 PolarHBondContact O-ND2 2.73Å
218I92.3Very high92.8Very high20 Ų2046.1 Ų46.110%0.10321%0.211CC..Hα-helixtrans-62.5-48.3177.1-70.6166.1000110N214 V215 D216 R220 N221 C222 V328 I356 I363N214-I218 WeakPolarHBondContact O-CG1 3.46Å; N214-I218 PolarHBondContact O-N 3.47Å; N214-I218 VanDerWaalsContact O-N 3.08Å; V215-I218 PolarHBondContact O-N 2.86Å; D216-I218 VanDerWaalsContact C-N 3.33Å; D216-I218 PolarHBondContact O-N 3.08Å; I218-R220 VanDerWaalsContact C-N 3.25Å; I218-R220 PolarHBondContact O-N 3.08Å; I218-N221 PolarHBondContact O-N 3.34Å; I218-C222 PolarHBondContact O-N 3.16Å; I218-C222 PolarHBondContact O-SG 3.41Å; I218-V328 HydrophobicContact CG2-CG2 3.98Å; I218-I356 HydrophobicContact CD1-CD1 4.08Å; I218-I356 HydrophobicContact CD1-CG2 4.02Å; I218-I356 HydrophobicContact CG1-CD1 4.05Å; I218-I356 HydrophobicContact CG2-CD1 3.69Å; I218-I363 HydrophobicContact CD1-CG2 3.27Å
219F95.1Very high93.2Very high1 Ų146 Ų460%0.00421%0.21CC..Hα-helixtrans-59.7-37.3-176.9-86.4-127.5000113.1V215 D216 I226 F228 A241 A244 A245 R250 L294V215-F219 HydrophobicContact CG1-CD2 4.03Å; V215-F219 HydrophobicContact CG1-CE2 3.78Å; V215-F219 VanDerWaalsContact O-CD2 3.22Å; V215-F219 WeakPolarHBondContact O-CD2 3.17Å; V215-F219 PolarHBondContact O-N 2.73Å; D216-F219 PolarHBondContact O-N 3.48Å; F219-I226 HydrophobicContact CB-CD1 4.07Å; F219-I226 HydrophobicContact CD1-CD1 3.79Å; F219-I226 HydrophobicContact CD2-CD1 3.75Å; F219-I226 HydrophobicContact CE1-CD1 4.14Å; F219-I226 HydrophobicContact CE2-CD1 4.11Å; F219-I226 HydrophobicContact CE2-CG2 4.01Å; F219-I226 HydrophobicContact CG-CD1 3.58Å; F219-I226 HydrophobicContact CZ-CD1 4.31Å; F219-I226 HydrophobicContact CZ-CG2 4.14Å; F219-F228 AromaticContact CE2-CD2 3.78Å; F219-F228 HydrophobicContact CE2-CD2 3.78Å; F219-F228 HydrophobicContact CE2-CE2 4.08Å; F219-F228 HydrophobicContact CZ-CD2 4.14Å; F219-A241 HydrophobicContact CZ-CB 4.48Å; F219-A244 HydrophobicContact CB-CB 4.3Å; F219-A244 HydrophobicContact CD1-CB 3.68Å; F219-A244 HydrophobicContact CD2-CB 4.28Å; F219-A244 HydrophobicContact CE1-CB 3.98Å; F219-A244 HydrophobicContact CG-CB 3.83Å; F219-A244 HydrophobicContact CZ-CB 4.39Å; F219-A245 HydrophobicContact CE1-CB 4.1Å; F219-R250 PolarHBondContact O-NH2 2.74Å; F219-L294 HydrophobicContact CE1-CD1 3.92Å; F219-L294 HydrophobicContact CE1-CD2 3.93Å; F219-L294 HydrophobicContact CE1-CG 4.34Å; F219-L294 HydrophobicContact CZ-CD1 3.58Å; F219-L294 HydrophobicContact CZ-CD2 4Å; F219-L294 HydrophobicContact CZ-CG 4.37Å
220R94.2Very high93.4Very high143 Ų14340.6 Ų40.654%0.5419%0.19SC..Hα-helixtrans-68-32.7176.9-165.3-179.9-56.8160.18.5113.3D216 I218D216-R220 PolarHBondContact O-N 2.84Å; D216-R220 VanDerWaalsContact O-N 3.09Å; D216-R220 IonicContact OD2-CZ 3.25Å; D216-R220 IonicContact OD2-NH2 2.84Å; D216-R220 PolarHBondContact OD2-NH2 3.48Å; I218-R220 VanDerWaalsContact C-N 3.25Å; I218-R220 PolarHBondContact O-N 3.08Å
221N92.5Very high93.4Very high124 Ų12439.8 Ų39.866%0.66319%0.186SC*.Hα-helixtrans-89.4-22.4-175.2-68.4-17.5000113.3K217 I218 K223K217-N221 VanDerWaalsContact O-CG 3.28Å; K217-N221 PolarHBondContact O-N 3.38Å; K217-N221 PolarHBondContact O-ND2 2.73Å; I218-N221 PolarHBondContact O-N 3.34Å; N221-K223 PolarHBondContact O-N 3.36Å
222C93.4Very high93.4Very high17 Ų1740.3 Ų40.312%0.11519%0.19CC..  trans-71.2126.7-179.9-73.10000112.1I218 I226 R250 T326I218-C222 PolarHBondContact O-N 3.16Å; I218-C222 PolarHBondContact O-SG 3.41Å; C222-I226 HydrophobicContact CB-CD1 3.8Å; C222-I226 HydrophobicContact CB-CG1 3.74Å; C222-R250 PolarHBondContact O-NH2 3.21Å; C222-T326 VanDerWaalsContact SG-CB 3.58Å; C222-T326 PolarHBondContact SG-OG1 2.98Å; C222-T326 VanDerWaalsContact SG-OG1 3.35Å
223K91.2Very high93.3Very high179 Ų17940.8 Ų40.878%0.77819%0.191SC*.  trans-90.4-27.8177.9-61.5-177.4-177.9178.90113.8N221 H291N221-K223 PolarHBondContact O-N 3.36Å; K223-H291 WeakPolarHBondContact O-CB 3.49Å
224G95.1Very high93.3Very high2 Ų236 Ų362%0.02117%0.169CC..SBendtrans-100.1-152.7-17900000113.2R250 K290 E324G224-R250 PolarHBondContact O-NH1 3.48Å; G224-K290 CarbonylContact C-O 3.59Å; G224-E324 WeakPolarHBondContact CA-O 3.1Å
225R97.3Very high93.4Very high18 Ų1835 Ų357%0.06816%0.164CC..  trans-73147.2172.8-54.6-177-67.5-177.84.6109.6K290 L293 I295 K320 D325 T326R225-K290 VanDerWaalsContact CA-O 3.31Å; R225-K290 WeakPolarHBondContact CA-O 3.27Å; R225-K290 HydrophobicContact CG-CB 3.92Å; R225-K290 HydrophobicContact CG-CG 4.36Å; R225-K290 WeakPolarHBondContact CG-O 3.2Å; R225-K290 PolarHBondContact N-O 3.21Å; R225-L293 HydrophobicContact CG-CB 4.3Å; R225-L293 HydrophobicContact CG-CD2 4.29Å; R225-I295 HydrophobicContact CB-CD1 4.43Å; R225-K320 PolarHBondContact NH2-O 2.97Å; R225-D325 WeakPolarHBondContact CB-OD1 3.41Å; R225-D325 IonicContact CZ-OD1 3.17Å; R225-D325 IonicContact CZ-OD2 3.18Å; R225-D325 IonicContact NE-OD1 2.71Å; R225-D325 PolarHBondContact NE-OD1 3.45Å; R225-D325 IonicContact NE-OD2 3.71Å; R225-D325 VanDerWaalsContact NH2-CG 3.33Å; R225-D325 IonicContact NH2-OD1 3.44Å; R225-D325 PolarHBondContact NH2-OD1 2.9Å; R225-D325 IonicContact NH2-OD2 2.66Å; R225-D325 PolarHBondContact NH2-OD2 2.91Å; R225-T326 PolarHBondContact O-N 3.03Å
226I97.9Very high93.4Very high0 Ų036.6 Ų36.60%017%0.17CC..EExtended strand (participates in β ladder)trans-105126.1169.8-59.9175000108F219 C222 F228 L293 L294 I295 T326 V328F219-I226 HydrophobicContact CB-CD1 4.07Å; F219-I226 HydrophobicContact CD1-CD1 3.79Å; F219-I226 HydrophobicContact CD2-CD1 3.75Å; F219-I226 HydrophobicContact CE1-CD1 4.14Å; F219-I226 HydrophobicContact CE2-CD1 4.11Å; F219-I226 HydrophobicContact CE2-CG2 4.01Å; F219-I226 HydrophobicContact CG-CD1 3.58Å; F219-I226 HydrophobicContact CZ-CD1 4.31Å; F219-I226 HydrophobicContact CZ-CG2 4.14Å; C222-I226 HydrophobicContact CB-CD1 3.8Å; C222-I226 HydrophobicContact CB-CG1 3.74Å; I226-F228 HydrophobicContact CG2-CB 4.37Å; I226-L293 PolarHBondContact N-O 3.12Å; I226-L293 VanDerWaalsContact N-O 3.12Å; I226-L294 HydrophobicContact CB-CD1 3.96Å; I226-L294 HydrophobicContact CG2-CD1 3.75Å; I226-I295 PolarHBondContact O-N 2.85Å; I226-T326 CarbonylContact C-O 3.47Å; I226-T326 WeakPolarHBondContact CA-O 3.08Å; I226-V328 HydrophobicContact CG2-CG2 4.2Å
227I98Very high93.4Very high0 Ų035.5 Ų35.50%016%0.164CC..EExtended strand (participates in β ladder)trans-107.4102.8171.1-57.7170.7000107.1I295 L308 I311 I321 D325 T326 V327 V328I227-I295 CarbonylContact C-O 3.4Å; I227-I295 WeakPolarHBondContact CA-O 3.27Å; I227-I295 HydrophobicContact CD1-CD1 4.4Å; I227-I295 HydrophobicContact CG1-CB 4.17Å; I227-I295 HydrophobicContact CG1-CD1 3.76Å; I227-I295 HydrophobicContact CG2-CG2 4.34Å; I227-L308 HydrophobicContact CG2-CD1 3.75Å; I227-I311 HydrophobicContact CD1-CG2 4.37Å; I227-I321 HydrophobicContact CD1-CD1 3.44Å; I227-I321 VanDerWaalsContact CD1-CD1 3.44Å; I227-D325 HydrophobicContact CD1-CB 4.38Å; I227-T326 PolarHBondContact N-O 3.15Å; I227-V327 HydrophobicContact CB-CG1 4.43Å; I227-V327 HydrophobicContact CB-CG2 4.11Å; I227-V327 HydrophobicContact CD1-CG2 4.11Å; I227-V327 HydrophobicContact CG2-CG1 4.41Å; I227-V327 CarbonylContact O-C 3.45Å; I227-V327 WeakPolarHBondContact O-CA 3.41Å; I227-V328 PolarHBondContact O-N 2.76Å
228F97.3Very high93.5Very high1 Ų130.5 Ų30.50%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-102.8109.2-174.1-163-83.2000110.3V215 F219 I226 T230 R237 A241 L294 I295 L296 C297 V328 S330V215-F228 HydrophobicContact CG1-CE2 3.86Å; V215-F228 HydrophobicContact CG1-CZ 4.24Å; V215-F228 HydrophobicContact CG2-CE2 4.08Å; V215-F228 HydrophobicContact CG2-CZ 4.05Å; F219-F228 AromaticContact CE2-CD2 3.78Å; F219-F228 HydrophobicContact CE2-CD2 3.78Å; F219-F228 HydrophobicContact CE2-CE2 4.08Å; F219-F228 HydrophobicContact CZ-CD2 4.14Å; I226-F228 HydrophobicContact CG2-CB 4.37Å; F228-T230 HydrophobicContact CD1-CG2 4.31Å; F228-T230 HydrophobicContact CE1-CG2 4.21Å; F228-R237 HydrophobicContact CE1-CG 4.01Å; F228-R237 HydrophobicContact CZ-CG 4.21Å; F228-A241 HydrophobicContact CD1-CB 4.09Å; F228-A241 HydrophobicContact CE1-CB 4.02Å; F228-A241 HydrophobicContact CG-CB 4.41Å; F228-A241 HydrophobicContact CZ-CB 4.27Å; F228-L294 HydrophobicContact CB-CD1 3.69Å; F228-I295 PolarHBondContact N-O 2.78Å; F228-L296 HydrophobicContact CB-CD1 4.11Å; F228-L296 HydrophobicContact CD1-CD1 3.69Å; F228-L296 HydrophobicContact CG-CD1 4.29Å; F228-C297 PolarHBondContact O-N 2.85Å; F228-V328 HydrophobicContact CD2-CB 3.74Å; F228-V328 HydrophobicContact CD2-CG1 3.79Å; F228-V328 HydrophobicContact CD2-CG2 4.25Å; F228-V328 HydrophobicContact CE2-CB 4.17Å; F228-V328 HydrophobicContact CE2-CG1 3.67Å; F228-V328 HydrophobicContact CG-CB 4.44Å; F228-S330 VanDerWaalsContact CE1-CB 3.43Å; F228-S330 WeakPolarHBondContact CZ-OG 3.4Å
229A96.5Very high93.7Very high0 Ų029.9 Ų29.90%014%0.139CC..EExtended strand (participates in β ladder)trans-101.3125178.800000110.7C297 L308 V328 S330A229-C297 WeakPolarHBondContact CA-O 3.13Å; A229-L308 HydrophobicContact CB-CD2 3.64Å; A229-L308 HydrophobicContact CB-CG 4.46Å; A229-V328 PolarHBondContact N-O 3.24Å; A229-S330 PolarHBondContact O-N 3.29Å
230T93.9Very high93.6Very high1 Ų130.4 Ų30.41%0.00614%0.141CC..  trans-147.5171.6177.5-170.90000110.5F228 V238 M259 L296 C297F228-T230 HydrophobicContact CD1-CG2 4.31Å; F228-T230 HydrophobicContact CE1-CG2 4.21Å; T230-V238 HydrophobicContact CG2-CG2 3.98Å; T230-M259 HydrophobicContact CG2-CE 3.84Å; T230-L296 HydrophobicContact CG2-CD1 4.39Å; T230-C297 PolarHBondContact N-O 2.89Å
231F89.5Confident93.7Very high59 Ų5923.6 Ų23.626%0.25912%0.116SC..  trans-67.5129.9167.8-67.8-79.4000109.8S233 N234 Q301 I334F231-S233 PolarHBondContact O-N 2.92Å; F231-N234 HydrophobicContact CB-CB 4.33Å; F231-N234 PolarHBondContact O-N 2.89Å; F231-Q301 HydrophobicContact CE1-CG 3.81Å; F231-Q301 HydrophobicContact CZ-CG 3.84Å; F231-I334 HydrophobicContact CE1-CD1 3.95Å; F231-I334 HydrophobicContact CZ-CD1 3.79Å; F231-I334 HydrophobicContact CZ-CG1 4.18Å
232A89.9Confident93.9Very high11 Ų1117.7 Ų17.79%0.0918%0.084CC..THydrogen-bonded Turntrans-61-27.1177.900000112.6N234 M259 N262 T298A232-N234 VanDerWaalsContact C-N 3.35Å; A232-M259 HydrophobicContact CB-CB 4.33Å; A232-M259 HydrophobicContact CB-CE 4.15Å; A232-M259 HydrophobicContact CB-SD 4.35Å; A232-N262 WeakPolarHBondContact O-CB 3.38Å; A232-N262 PolarHBondContact O-ND2 2.85Å; A232-T298 HydrophobicContact CB-CG2 4.31Å
233S86.3Confident94Very high24 Ų2421.6 Ų21.617%0.16810%0.101CC..THydrogen-bonded Turntrans-77.1-16.4177.155.30000113.9H76 I144 F231 I235 N262H76-S233 PolarHBondContact CD2-OG 3Å; I144-S233 WeakPolarHBondContact CD1-O 3.48Å; I144-S233 VanDerWaalsContact CG1-O 3.31Å; I144-S233 WeakPolarHBondContact CG1-O 3.43Å; F231-S233 PolarHBondContact O-N 2.92Å; S233-I235 PolarHBondContact O-N 2.97Å; S233-N262 PolarHBondContact N-ND2 3.08Å
234N90.8Very high94.3Very high6 Ų613.2 Ų13.23%0.0327%0.065CC..  trans-81.274.5177.6-168.5-31.1000110.1S143 F231 A232 Y236 R237 V238S143-N234 WeakPolarHBondContact O-CA 3.3Å; S143-N234 PolarHBondContact O-OD1 3.07Å; S143-N234 VanDerWaalsContact O-OD1 3.08Å; F231-N234 HydrophobicContact CB-CB 4.33Å; F231-N234 PolarHBondContact O-N 2.89Å; A232-N234 VanDerWaalsContact C-N 3.35Å; N234-Y236 PolarHBondContact O-N 3.38Å; N234-R237 HydrophobicContact CB-CB 4.11Å; N234-R237 VanDerWaalsContact CG-CB 3.44Å; N234-R237 PolarHBondContact O-N 2.74Å; N234-R237 VanDerWaalsContact O-N 3.14Å; N234-R237 WeakPolarHBondContact OD1-CB 3.43Å; N234-R237 PolarHBondContact OD1-N 2.99Å; N234-V238 WeakPolarHBondContact O-CG2 3.4Å; N234-V238 PolarHBondContact O-N 3Å
235I93Very high94.4Very high0 Ų013.1 Ų13.10%06%0.064CC..Hα-helixtrans-60-34.4-175.9-54.2-58.1000111.2L99 I144 P145 S233 V238 Q239 N262 I272L99-I235 HydrophobicContact CD1-CG1 4.48Å; L99-I235 HydrophobicContact CD2-CG1 4.07Å; I144-I235 HydrophobicContact CG1-CG1 4.37Å; P145-I235 HydrophobicContact CG-CB 3.85Å; P145-I235 HydrophobicContact CG-CG1 4.47Å; P145-I235 HydrophobicContact CG-CG2 4.07Å; S233-I235 PolarHBondContact O-N 2.97Å; I235-V238 PolarHBondContact O-N 2.77Å; I235-Q239 WeakPolarHBondContact O-CB 3.39Å; I235-Q239 PolarHBondContact O-N 3.08Å; I235-N262 HydrophobicContact CD1-CB 3.94Å; I235-I272 HydrophobicContact CG2-CD1 4.07Å; I235-I272 HydrophobicContact CG2-CG1 3.89Å
236Y92.1Very high94.3Very high33 Ų3315.1 Ų15.113%0.1298%0.076CC..Hα-helixtrans-64.3-45.2175.7-69.5-48.6000112.1P145 V172 G173 N234 V238 Q239 Q240P145-Y236 VanDerWaalsContact CA-OH 3.29Å; P145-Y236 WeakPolarHBondContact CA-OH 3.29Å; P145-Y236 HydrophobicContact CB-CE1 4.22Å; P145-Y236 HydrophobicContact CB-CE2 4.25Å; P145-Y236 WeakPolarHBondContact CB-OH 3.4Å; P145-Y236 HydrophobicContact CG-CD1 4.19Å; P145-Y236 HydrophobicContact CG-CD2 4.38Å; P145-Y236 HydrophobicContact CG-CE1 3.74Å; P145-Y236 HydrophobicContact CG-CE2 3.97Å; P145-Y236 HydrophobicContact CG-CG 4.48Å; V172-Y236 HydrophobicContact CB-CD1 4.02Å; V172-Y236 HydrophobicContact CB-CG 4.36Å; V172-Y236 HydrophobicContact CG1-CD1 3.94Å; G173-Y236 WeakPolarHBondContact CA-OH 3.18Å; N234-Y236 PolarHBondContact O-N 3.38Å; Y236-V238 VanDerWaalsContact C-N 3.33Å; Y236-V238 PolarHBondContact O-N 3.09Å; Y236-Q239 PolarHBondContact O-N 3.14Å; Y236-Q240 VanDerWaalsContact O-CG 3.32Å; Y236-Q240 WeakPolarHBondContact O-CG 3.43Å; Y236-Q240 PolarHBondContact O-N 2.77Å
237R92.7Very high94.3Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-65.4-39176.7-170.563.254.660.47.9112E208 V211 F228 N234 Q240 A241 S330 I363E208-R237 VanDerWaalsContact CD-NH2 3.27Å; E208-R237 IonicContact OE1-NH2 2.68Å; E208-R237 PolarHBondContact OE1-NH2 3.25Å; E208-R237 IonicContact OE2-CZ 2.65Å; E208-R237 IonicContact OE2-NE 2.91Å; E208-R237 PolarHBondContact OE2-NE 3.11Å; E208-R237 IonicContact OE2-NH2 3.21Å; E208-R237 PolarHBondContact OE2-NH2 3.18Å; V211-R237 VanDerWaalsContact CG1-CZ 3.49Å; F228-R237 HydrophobicContact CE1-CG 4.01Å; F228-R237 HydrophobicContact CZ-CG 4.21Å; N234-R237 HydrophobicContact CB-CB 4.11Å; N234-R237 VanDerWaalsContact CG-CB 3.44Å; N234-R237 PolarHBondContact O-N 2.74Å; N234-R237 VanDerWaalsContact O-N 3.14Å; N234-R237 WeakPolarHBondContact OD1-CB 3.43Å; N234-R237 PolarHBondContact OD1-N 2.99Å; R237-Q240 PolarHBondContact O-N 2.82Å; R237-A241 PolarHBondContact O-N 3.43Å; R237-S330 VanDerWaalsContact CD-OG 3.27Å; R237-S330 WeakPolarHBondContact CD-OG 3.33Å; R237-S330 PolarHBondContact NH1-O 3.41Å; R237-S330 VanDerWaalsContact NH1-O 3.09Å; R237-S330 PolarHBondContact NH1-OG 2.76Å; R237-I363 PolarHBondContact NH1-O 3.25Å
238V95Very high94.2Very high1 Ų123.4 Ų23.41%0.00611%0.114CC..Hα-helixtrans-60.6-47.2174.1169.40000110.2T230 N234 I235 Y236 Q240 A241 V242 M259 I263 I272 L296T230-V238 HydrophobicContact CG2-CG2 3.98Å; N234-V238 WeakPolarHBondContact O-CG2 3.4Å; N234-V238 PolarHBondContact O-N 3Å; I235-V238 PolarHBondContact O-N 2.77Å; Y236-V238 VanDerWaalsContact C-N 3.33Å; Y236-V238 PolarHBondContact O-N 3.09Å; V238-Q240 VanDerWaalsContact C-N 3.34Å; V238-Q240 PolarHBondContact O-N 2.77Å; V238-A241 PolarHBondContact O-N 3.44Å; V238-V242 HydrophobicContact CG1-CG2 4.38Å; V238-V242 VanDerWaalsContact O-CG2 3.26Å; V238-V242 WeakPolarHBondContact O-CG2 3.36Å; V238-V242 PolarHBondContact O-N 3.16Å; V238-M259 HydrophobicContact CG2-CE 4.39Å; V238-M259 HydrophobicContact CG2-SD 3.8Å; V238-I263 HydrophobicContact CG1-CD1 4.18Å; V238-I263 HydrophobicContact CG1-CG1 3.78Å; V238-I272 HydrophobicContact CB-CD1 4.44Å; V238-I272 HydrophobicContact CG1-CD1 3.64Å; V238-I272 HydrophobicContact CG1-CG1 4.4Å; V238-L296 HydrophobicContact CG1-CD2 3.84Å; V238-L296 HydrophobicContact CG2-CD2 4.46Å
239Q95.2Very high94.1Very high8 Ų829.8 Ų29.84%0.03715%0.148CC..Hα-helixtrans-59.9-43.4176.4175.956.31700111.9I235 Y236 A241 V242 E243 I272 K273I235-Q239 WeakPolarHBondContact O-CB 3.39Å; I235-Q239 PolarHBondContact O-N 3.08Å; Y236-Q239 PolarHBondContact O-N 3.14Å; Q239-A241 VanDerWaalsContact C-N 3.34Å; Q239-A241 PolarHBondContact O-N 3.33Å; Q239-V242 WeakPolarHBondContact O-CB 3.2Å; Q239-V242 PolarHBondContact O-N 2.8Å; Q239-E243 HydrophobicContact CG-CG 4.44Å; Q239-E243 VanDerWaalsContact NE2-CG 3.27Å; Q239-E243 PolarHBondContact NE2-OE1 3.17Å; Q239-E243 WeakPolarHBondContact O-CG 3.36Å; Q239-E243 PolarHBondContact O-N 2.91Å; Q239-I272 HydrophobicContact CB-CG1 4.4Å; Q239-K273 PolarHBondContact NE2-O 3.18Å
240Q94.6Very high94.2Very high11 Ų1130.4 Ų30.45%0.05115%0.15CC..Hα-helixtrans-61.7-40.6176.1-71.3174.8-30.200112.5V172 E208 Y236 R237 V238 V242 E243 A244V172-Q240 HydrophobicContact CG2-CG 4.39Å; E208-Q240 PolarHBondContact O-NE2 2.98Å; Y236-Q240 VanDerWaalsContact O-CG 3.32Å; Y236-Q240 WeakPolarHBondContact O-CG 3.43Å; Y236-Q240 PolarHBondContact O-N 2.77Å; R237-Q240 PolarHBondContact O-N 2.82Å; V238-Q240 VanDerWaalsContact C-N 3.34Å; V238-Q240 PolarHBondContact O-N 2.77Å; Q240-V242 VanDerWaalsContact C-N 3.34Å; Q240-E243 PolarHBondContact O-N 3.13Å; Q240-A244 VanDerWaalsContact O-CB 3.29Å; Q240-A244 WeakPolarHBondContact O-CB 3.19Å; Q240-A244 PolarHBondContact O-N 3.07Å
241A96Very high94.4Very high0 Ų033.9 Ų33.90%017%0.165CC..Hα-helixtrans-65.8-38.2175.300000111.7F219 F228 R237 V238 Q239 A245 L294 L296F219-A241 HydrophobicContact CZ-CB 4.48Å; F228-A241 HydrophobicContact CD1-CB 4.09Å; F228-A241 HydrophobicContact CE1-CB 4.02Å; F228-A241 HydrophobicContact CG-CB 4.41Å; F228-A241 HydrophobicContact CZ-CB 4.27Å; R237-A241 PolarHBondContact O-N 3.43Å; V238-A241 PolarHBondContact O-N 3.44Å; Q239-A241 VanDerWaalsContact C-N 3.34Å; Q239-A241 PolarHBondContact O-N 3.33Å; A241-A245 WeakPolarHBondContact O-CB 3.24Å; A241-A245 PolarHBondContact O-N 2.94Å; A241-L294 HydrophobicContact CB-CD2 4.48Å; A241-L296 HydrophobicContact CB-CD1 4.24Å
242V96.8Very high94.8Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-64.2-47.6174.7167.60000111.1V238 Q239 Q240 A244 A245 I246 I252 I272 A274 F279V238-V242 HydrophobicContact CG1-CG2 4.38Å; V238-V242 VanDerWaalsContact O-CG2 3.26Å; V238-V242 WeakPolarHBondContact O-CG2 3.36Å; V238-V242 PolarHBondContact O-N 3.16Å; Q239-V242 WeakPolarHBondContact O-CB 3.2Å; Q239-V242 PolarHBondContact O-N 2.8Å; Q240-V242 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 2.96Å; V242-A245 WeakPolarHBondContact O-CB 3.46Å; V242-A245 PolarHBondContact O-N 3.4Å; V242-I246 HydrophobicContact CG1-CD1 3.92Å; V242-I246 WeakPolarHBondContact O-CG1 3.32Å; V242-I246 PolarHBondContact O-N 3.27Å; V242-I252 HydrophobicContact CB-CD1 4.05Å; V242-I252 HydrophobicContact CG1-CD1 4.03Å; V242-I252 HydrophobicContact CG2-CD1 3.79Å; V242-I272 HydrophobicContact CG2-CG2 4.4Å; V242-A274 HydrophobicContact CG1-CB 3.71Å; V242-F279 HydrophobicContact CG2-CZ 4.13Å
243E95.9Very high95.1Very high99 Ų9930.5 Ų30.546%0.46315%0.148SC..Hα-helixtrans-61.3-45.1176.6-74.3174.3179.700111.8Q239 Q240 A245 I246 K247Q239-E243 HydrophobicContact CG-CG 4.44Å; Q239-E243 VanDerWaalsContact NE2-CG 3.27Å; Q239-E243 PolarHBondContact NE2-OE1 3.17Å; Q239-E243 WeakPolarHBondContact O-CG 3.36Å; Q239-E243 PolarHBondContact O-N 2.91Å; Q240-E243 PolarHBondContact O-N 3.13Å; E243-A245 VanDerWaalsContact C-N 3.3Å; E243-A245 PolarHBondContact O-N 3.29Å; E243-I246 PolarHBondContact O-N 2.84Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.38Å; E243-K247 PolarHBondContact O-N 3.39Å
244A96.2Very high95.6Very high4 Ų430.5 Ų30.53%0.03315%0.147CC..Hα-helixtrans-62.4-38.4176.100000111.6V215 F219 Q240 V242 N248V215-A244 HydrophobicContact CG1-CB 4.18Å; F219-A244 HydrophobicContact CB-CB 4.3Å; F219-A244 HydrophobicContact CD1-CB 3.68Å; F219-A244 HydrophobicContact CD2-CB 4.28Å; F219-A244 HydrophobicContact CE1-CB 3.98Å; F219-A244 HydrophobicContact CG-CB 3.83Å; F219-A244 HydrophobicContact CZ-CB 4.39Å; Q240-A244 VanDerWaalsContact O-CB 3.29Å; Q240-A244 WeakPolarHBondContact O-CB 3.19Å; Q240-A244 PolarHBondContact O-N 3.07Å; V242-A244 PolarHBondContact O-N 2.96Å; A244-N248 WeakPolarHBondContact O-CB 3.49Å; A244-N248 PolarHBondContact O-N 2.94Å; A244-N248 VanDerWaalsContact O-N 3.15Å; A244-N248 PolarHBondContact O-ND2 2.93Å
245A97.2Very high95.9Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-62.5-51.4174.600000111.6F219 A241 V242 E243 K247 N248 N249 R250 I252 L294F219-A245 HydrophobicContact CE1-CB 4.1Å; A241-A245 WeakPolarHBondContact O-CB 3.24Å; A241-A245 PolarHBondContact O-N 2.94Å; V242-A245 WeakPolarHBondContact O-CB 3.46Å; V242-A245 PolarHBondContact O-N 3.4Å; E243-A245 VanDerWaalsContact C-N 3.3Å; E243-A245 PolarHBondContact O-N 3.29Å; A245-K247 VanDerWaalsContact C-N 3.35Å; A245-K247 PolarHBondContact O-N 3.43Å; A245-N248 CarbonylContact O-C 3.58Å; A245-N248 PolarHBondContact O-N 3.32Å; A245-N249 PolarHBondContact O-N 3.11Å; A245-N249 VanDerWaalsContact O-N 3.13Å; A245-R250 HydrophobicContact CB-CB 4.07Å; A245-R250 PolarHBondContact O-N 2.93Å; A245-I252 HydrophobicContact CB-CD1 3.77Å; A245-I252 HydrophobicContact CB-CG1 3.74Å; A245-L294 HydrophobicContact CB-CB 4.28Å; A245-L294 HydrophobicContact CB-CD2 3.79Å
246I96.6Very high95.9Very high60 Ų6031.7 Ų31.731%0.30816%0.158SC..Hα-helixtrans-58.5-48.5179.9-67164.5000110.4V242 E243 N248 N249 A274 T278V242-I246 HydrophobicContact CG1-CD1 3.92Å; V242-I246 WeakPolarHBondContact O-CG1 3.32Å; V242-I246 PolarHBondContact O-N 3.27Å; E243-I246 PolarHBondContact O-N 2.84Å; I246-N248 PolarHBondContact O-N 2.78Å; I246-N249 PolarHBondContact O-N 2.95Å; I246-N249 VanDerWaalsContact O-N 3.09Å; I246-A274 HydrophobicContact CD1-CB 4.09Å; I246-T278 HydrophobicContact CD1-CG2 4.23Å; I246-T278 HydrophobicContact CG1-CG2 3.62Å
247K96.5Very high95.8Very high134 Ų13439.9 Ų39.958%0.58319%0.188SC*.Hα-helixtrans-61.2-30.1-179-174.1178.4176.5-170.60113.3D216 E243 A245D216-K247 IonicContact OD1-NZ 2.81Å; D216-K247 IonicContact OD2-NZ 3.39Å; D216-K247 PolarHBondContact OD2-NZ 3.09Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.38Å; E243-K247 PolarHBondContact O-N 3.39Å; A245-K247 VanDerWaalsContact C-N 3.35Å; A245-K247 PolarHBondContact O-N 3.43Å
248N96.3Very high95.6Very high40 Ų4043.3 Ų43.321%0.21421%0.212CC..THydrogen-bonded Turntrans-103.621.6179.6-64.4-86000112.4D216 A244 A245 I246 R250D216-N248 PolarHBondContact OD1-ND2 3.11Å; D216-N248 VanDerWaalsContact OD1-ND2 3.15Å; A244-N248 WeakPolarHBondContact O-CB 3.49Å; A244-N248 PolarHBondContact O-N 2.94Å; A244-N248 VanDerWaalsContact O-N 3.15Å; A244-N248 PolarHBondContact O-ND2 2.93Å; A245-N248 CarbonylContact O-C 3.58Å; A245-N248 PolarHBondContact O-N 3.32Å; I246-N248 PolarHBondContact O-N 2.78Å; N248-R250 VanDerWaalsContact C-N 3.3Å; N248-R250 PolarHBondContact O-N 2.85Å
249N95.6Very high95.5Very high135 Ų13543.3 Ų43.372%0.72221%0.212SC*.THydrogen-bonded Turntrans53.340.8177.7-67.1-32.9000114.4A245 I246A245-N249 PolarHBondContact O-N 3.11Å; A245-N249 VanDerWaalsContact O-N 3.13Å; I246-N249 PolarHBondContact O-N 2.95Å; I246-N249 VanDerWaalsContact O-N 3.09Å
250R97.4Very high95.5Very high12 Ų1246.7 Ų46.75%0.04523%0.228CC..  trans-102.9133.4175.7-60.6-179.3-178.1-96.3-2111.5F219 C222 G224 A245 N248 H291 E292 L294F219-R250 PolarHBondContact O-NH2 2.74Å; C222-R250 PolarHBondContact O-NH2 3.21Å; G224-R250 PolarHBondContact O-NH1 3.48Å; A245-R250 HydrophobicContact CB-CB 4.07Å; A245-R250 PolarHBondContact O-N 2.93Å; N248-R250 VanDerWaalsContact C-N 3.3Å; N248-R250 PolarHBondContact O-N 2.85Å; R250-H291 PolarHBondContact NH1-O 3.43Å; R250-E292 CarbonylContact C-O 3.52Å; R250-E292 WeakPolarHBondContact CA-O 3.41Å; R250-L294 HydrophobicContact CB-CB 4.44Å
251K98Very high95.4Very high74 Ų7448.8 Ų48.832%0.32224%0.239SC..EExtended strand (participates in β ladder)trans-76.8147.7163.9-64.1-59.4-175.4-179.10110.4E277 T278 I280 V288 E292 L294K251-E277 PolarHBondContact NZ-O 3.29Å; K251-T278 WeakPolarHBondContact CA-O 3.49Å; K251-I280 HydrophobicContact CB-CD1 4.32Å; K251-I280 HydrophobicContact CB-CG2 3.89Å; K251-I280 HydrophobicContact CD-CG2 4.25Å; K251-I280 HydrophobicContact CG-CG2 4.13Å; K251-V288 HydrophobicContact CB-CG1 4.26Å; K251-V288 HydrophobicContact CG-CG1 4.36Å; K251-E292 PolarHBondContact N-O 2.98Å; K251-L294 PolarHBondContact O-N 2.86Å
252I98Very high95.3Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-112129.3-173.4-52.5177.2000109.3V242 A245 T254 T278 F279 I280 L294 L296V242-I252 HydrophobicContact CB-CD1 4.05Å; V242-I252 HydrophobicContact CG1-CD1 4.03Å; V242-I252 HydrophobicContact CG2-CD1 3.79Å; A245-I252 HydrophobicContact CB-CD1 3.77Å; A245-I252 HydrophobicContact CB-CG1 3.74Å; I252-T254 HydrophobicContact CG2-CG2 4.39Å; I252-T278 HydrophobicContact CD1-CG2 3.68Å; I252-T278 HydrophobicContact CG1-CG2 3.88Å; I252-T278 PolarHBondContact N-O 2.86Å; I252-F279 HydrophobicContact CB-CD1 3.89Å; I252-F279 HydrophobicContact CB-CE1 4.06Å; I252-F279 HydrophobicContact CD1-CE1 4.3Å; I252-F279 HydrophobicContact CD1-CZ 4.41Å; I252-F279 HydrophobicContact CG2-CD1 3.85Å; I252-F279 HydrophobicContact CG2-CE1 3.7Å; I252-F279 CarbonylContact O-C 3.58Å; I252-F279 VanDerWaalsContact O-CA 3.3Å; I252-F279 WeakPolarHBondContact O-CA 3.34Å; I252-I280 PolarHBondContact O-N 2.98Å; I252-L294 WeakPolarHBondContact CA-O 3.41Å; I252-L294 HydrophobicContact CD1-CD2 4.36Å; I252-L294 HydrophobicContact CG1-CB 4.39Å; I252-L294 HydrophobicContact CG1-CD2 4.09Å; I252-L294 HydrophobicContact CG2-CD2 4.21Å; I252-L296 HydrophobicContact CG2-CB 4.28Å
253V97.4Very high95.2Very high0 Ų050.3 Ų50.30%025%0.247CC..EExtended strand (participates in β ladder)trans-120.1135.7166.8630000109F255 I280 P282 I285 L293 L294 I295 L296V253-F255 HydrophobicContact CB-CE2 4.28Å; V253-F255 HydrophobicContact CG1-CE2 3.81Å; V253-F255 HydrophobicContact CG2-CD2 4.37Å; V253-F255 HydrophobicContact CG2-CE2 3.56Å; V253-F255 HydrophobicContact CG2-CZ 3.89Å; V253-I280 HydrophobicContact CB-CD1 4.36Å; V253-I280 HydrophobicContact CB-CG1 3.91Å; V253-I280 HydrophobicContact CG2-CG1 4.49Å; V253-P282 HydrophobicContact CG2-CB 4.34Å; V253-P282 HydrophobicContact CG2-CG 4.1Å; V253-I285 HydrophobicContact CB-CD1 4.34Å; V253-I285 HydrophobicContact CB-CG1 4.23Å; V253-I285 HydrophobicContact CG1-CD1 3.76Å; V253-I285 HydrophobicContact CG1-CG1 3.91Å; V253-I285 HydrophobicContact CG2-CD1 3.98Å; V253-I285 HydrophobicContact CG2-CG1 4.09Å; V253-L293 HydrophobicContact CG1-CD1 4.02Å; V253-L294 PolarHBondContact N-O 3.4Å; V253-I295 HydrophobicContact CG1-CB 4.17Å; V253-I295 HydrophobicContact CG1-CG1 3.62Å; V253-I295 HydrophobicContact CG1-CG2 4.44Å; V253-I295 CarbonylContact O-C 3.6Å; V253-I295 WeakPolarHBondContact O-CA 3.3Å; V253-L296 PolarHBondContact O-N 2.81Å
254T96.8Very high95.1Very high23 Ų2351.6 Ų51.614%0.14125%0.252CS..EExtended strand (participates in β ladder)trans-105.5140.3-176.252.90000110.6I252 E260 I263 F279 L296I252-T254 HydrophobicContact CG2-CG2 4.39Å; T254-E260 WeakPolarHBondContact OG1-CG 3.45Å; T254-I263 HydrophobicContact CG2-CD1 3.37Å; T254-F279 HydrophobicContact CG2-CD1 4.19Å; T254-F279 HydrophobicContact CG2-CE1 4.08Å; T254-L296 CarbonylContact C-O 3.56Å; T254-L296 VanDerWaalsContact CA-O 3.27Å; T254-L296 WeakPolarHBondContact CA-O 3.49Å; T254-L296 HydrophobicContact CG2-CB 4.45Å
255F96.1Very high95Very high11 Ų1151.9 Ų51.95%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-131.1120.3172.2-71-83000112.3V253 P282 I285 I295 L296 C297 T298 A307 H316 I319V253-F255 HydrophobicContact CB-CE2 4.28Å; V253-F255 HydrophobicContact CG1-CE2 3.81Å; V253-F255 HydrophobicContact CG2-CD2 4.37Å; V253-F255 HydrophobicContact CG2-CE2 3.56Å; V253-F255 HydrophobicContact CG2-CZ 3.89Å; F255-P282 HydrophobicContact CE1-CB 4.02Å; F255-P282 HydrophobicContact CE1-CG 4.26Å; F255-P282 HydrophobicContact CZ-CB 3.96Å; F255-P282 HydrophobicContact CZ-CG 4.34Å; F255-I285 HydrophobicContact CE2-CD1 3.76Å; F255-I285 HydrophobicContact CZ-CD1 3.64Å; F255-I295 HydrophobicContact CD2-CG2 3.75Å; F255-I295 HydrophobicContact CE2-CG2 4.09Å; F255-L296 PolarHBondContact N-O 3.47Å; F255-C297 HydrophobicContact CB-CB 4.03Å; F255-C297 WeakPolarHBondContact O-CA 3.45Å; F255-T298 PolarHBondContact O-N 3.04Å; F255-A307 HydrophobicContact CB-CB 3.67Å; F255-H316 AromaticContact CD1-CE1 3.39Å; F255-H316 WeakPolarHBondContact CD1-CE1 3.48Å; F255-H316 AromaticContact CD1-NE2 3.43Å; F255-H316 WeakPolarHBondContact CD1-NE2 3.27Å; F255-H316 AromaticContact CE1-CE1 3.35Å; F255-H316 WeakPolarHBondContact CE1-CE1 3.19Å; F255-H316 AromaticContact CE1-NE2 3.87Å; F255-I319 HydrophobicContact CD2-CD1 3.86Å; F255-I319 HydrophobicContact CE2-CD1 3.22Å; F255-I319 HydrophobicContact CE2-CG1 4.06Å; F255-I319 HydrophobicContact CZ-CD1 3.66Å; F255-I319 HydrophobicContact CZ-CG1 3.97Å
256G92.9Very high94.9Very high20 Ų2051.9 Ų51.921%0.20625%0.252CS..SBendtrans122.9127.9173.900000109.7S258 M259 E260G256-S258 VanDerWaalsContact C-N 3.28Å; G256-S258 PolarHBondContact O-N 3.15Å; G256-M259 WeakPolarHBondContact O-CA 3.43Å; G256-M259 WeakPolarHBondContact O-CB 3.14Å; G256-M259 PolarHBondContact O-N 3.49Å; G256-E260 PolarHBondContact N-OE1 2.88Å; G256-E260 PolarHBondContact O-N 3.43Å
257R89.8Confident94.8Very high206 Ų20652 Ų5278%0.77725%0.252SS*.Hα-helixtrans-54.6-43.4-174-61.6-174-155.41696112.5M259 E260 N261R257-M259 VanDerWaalsContact C-N 3.32Å; R257-M259 PolarHBondContact O-N 3.01Å; R257-E260 PolarHBondContact O-N 2.66Å; R257-N261 WeakPolarHBondContact O-CB 3.47Å; R257-N261 VanDerWaalsContact O-CG 3.25Å; R257-N261 PolarHBondContact O-N 2.95Å
258S89.1Confident94.7Very high72 Ų7252 Ų5250%0.50326%0.255SS..Hα-helixtrans-62.7-38.3177.4-46.60000112.3G256 N262G256-S258 VanDerWaalsContact C-N 3.28Å; G256-S258 PolarHBondContact O-N 3.15Å; S258-N262 WeakPolarHBondContact O-CB 3.38Å; S258-N262 PolarHBondContact O-N 3.39Å; S258-N262 PolarHBondContact O-OD1 3.04Å
259M94.1Very high94.6Very high0 Ų053.3 Ų53.30%026%0.261CS..Hα-helixtrans-67.1-46.1176.8-173.663.571.700110.9T230 A232 V238 G256 R257 N262 I263 L296 T298T230-M259 HydrophobicContact CG2-CE 3.84Å; A232-M259 HydrophobicContact CB-CB 4.33Å; A232-M259 HydrophobicContact CB-CE 4.15Å; A232-M259 HydrophobicContact CB-SD 4.35Å; V238-M259 HydrophobicContact CG2-CE 4.39Å; V238-M259 HydrophobicContact CG2-SD 3.8Å; G256-M259 WeakPolarHBondContact O-CA 3.43Å; G256-M259 WeakPolarHBondContact O-CB 3.14Å; G256-M259 PolarHBondContact O-N 3.49Å; R257-M259 VanDerWaalsContact C-N 3.32Å; R257-M259 PolarHBondContact O-N 3.01Å; M259-N262 PolarHBondContact O-N 2.6Å; M259-I263 HydrophobicContact CG-CD1 3.78Å; M259-I263 WeakPolarHBondContact O-CB 3.29Å; M259-I263 WeakPolarHBondContact O-CD1 3.49Å; M259-I263 WeakPolarHBondContact O-CG1 3.41Å; M259-I263 PolarHBondContact O-N 3.05Å; M259-I263 HydrophobicContact SD-CD1 3.98Å; M259-I263 HydrophobicContact SD-CG1 4.41Å; M259-L296 HydrophobicContact CE-CG 4.35Å; M259-L296 HydrophobicContact CG-CD2 4.38Å; M259-L296 HydrophobicContact CG-CG 4.33Å; M259-L296 HydrophobicContact SD-CD2 3.95Å; M259-L296 HydrophobicContact SD-CG 4.06Å; M259-T298 HydrophobicContact CB-CG2 3.93Å; M259-T298 HydrophobicContact CE-CG2 4.43Å
260E94.2Very high94.6Very high80 Ų8048.6 Ų48.637%0.37424%0.244SC..Hα-helixtrans-60.9-48.7178-71.1159.4-14700111.7T254 G256 R257 I263 K264T254-E260 WeakPolarHBondContact OG1-CG 3.45Å; G256-E260 PolarHBondContact N-OE1 2.88Å; G256-E260 PolarHBondContact O-N 3.43Å; R257-E260 PolarHBondContact O-N 2.66Å; E260-I263 PolarHBondContact O-N 3.03Å; E260-K264 WeakPolarHBondContact O-CB 3.34Å; E260-K264 PolarHBondContact O-N 2.78Å
261N92.7Very high94.4Very high54 Ų5450.7 Ų50.729%0.28925%0.253SS..Hα-helixtrans-63.4-44.2179.5-73-10.9000111.9R257 K264 I265R257-N261 WeakPolarHBondContact O-CB 3.47Å; R257-N261 VanDerWaalsContact O-CG 3.25Å; R257-N261 PolarHBondContact O-N 2.95Å; N261-K264 WeakPolarHBondContact O-CB 3.46Å; N261-K264 PolarHBondContact O-N 2.76Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 3.3Å
262N93.6Very high94.3Very high21 Ų2147.4 Ų47.411%0.11224%0.239CC..Hα-helixtrans-70.2-35-179.1-73.216.8000112L103 A232 S233 I235 S258 M259 G266L103-N262 WeakPolarHBondContact CD2-OD1 3.18Å; A232-N262 WeakPolarHBondContact O-CB 3.38Å; A232-N262 PolarHBondContact O-ND2 2.85Å; S233-N262 PolarHBondContact N-ND2 3.08Å; I235-N262 HydrophobicContact CD1-CB 3.94Å; S258-N262 WeakPolarHBondContact O-CB 3.38Å; S258-N262 PolarHBondContact O-N 3.39Å; S258-N262 PolarHBondContact O-OD1 3.04Å; M259-N262 PolarHBondContact O-N 2.6Å; N262-G266 PolarHBondContact O-N 3.29Å
263I94.9Very high94.2Very high11 Ų1154.6 Ų54.66%0.05627%0.27CS..Hα-helixtrans-63.7-45.5172.6-73.4165.5000110.5V238 T254 M259 E260 I265 G266 M267 I272 F279 L296V238-I263 HydrophobicContact CG1-CD1 4.18Å; V238-I263 HydrophobicContact CG1-CG1 3.78Å; T254-I263 HydrophobicContact CG2-CD1 3.37Å; M259-I263 HydrophobicContact CG-CD1 3.78Å; M259-I263 WeakPolarHBondContact O-CB 3.29Å; M259-I263 WeakPolarHBondContact O-CD1 3.49Å; M259-I263 WeakPolarHBondContact O-CG1 3.41Å; M259-I263 PolarHBondContact O-N 3.05Å; M259-I263 HydrophobicContact SD-CD1 3.98Å; M259-I263 HydrophobicContact SD-CG1 4.41Å; E260-I263 PolarHBondContact O-N 3.03Å; I263-I265 PolarHBondContact O-N 2.79Å; I263-G266 PolarHBondContact O-N 3.39Å; I263-M267 HydrophobicContact CG2-CG 4.32Å; I263-M267 HydrophobicContact CG2-SD 4.04Å; I263-M267 WeakPolarHBondContact O-CG 3.19Å; I263-M267 PolarHBondContact O-N 3.09Å; I263-I272 HydrophobicContact CB-CD1 4.25Å; I263-I272 HydrophobicContact CG1-CD1 3.99Å; I263-I272 HydrophobicContact CG2-CD1 4.39Å; I263-F279 HydrophobicContact CD1-CE1 4.44Å; I263-F279 HydrophobicContact CG2-CE1 4.05Å; I263-F279 HydrophobicContact CG2-CZ 3.82Å; I263-L296 HydrophobicContact CD1-CD2 3.68Å
264K94.4Very high94.1Very high127 Ų12755.4 Ų55.455%0.55228%0.276SS*.Hα-helixtrans-56.7-51.9176.8-179.1-178.8171.7-173.80111.4E260 N261 G266 M267 E268E260-K264 WeakPolarHBondContact O-CB 3.34Å; E260-K264 PolarHBondContact O-N 2.78Å; N261-K264 WeakPolarHBondContact O-CB 3.46Å; N261-K264 PolarHBondContact O-N 2.76Å; K264-G266 VanDerWaalsContact C-N 3.33Å; K264-G266 PolarHBondContact O-N 3.34Å; K264-M267 PolarHBondContact O-N 3.28Å; K264-E268 WeakPolarHBondContact CE-OE1 3.39Å; K264-E268 WeakPolarHBondContact CG-OE1 3.49Å; K264-E268 WeakPolarHBondContact O-CG 3.29Å; K264-E268 PolarHBondContact O-N 3.47Å
265I93.9Very high93.9Very high9 Ų956.8 Ų56.85%0.04629%0.286CS..Hα-helixtrans-60.1-44.9176.7-68.2166.3000110.8L99 L103 N106 N261 I263 M267 E268 L269L99-I265 HydrophobicContact CD1-CG2 3.79Å; L103-I265 HydrophobicContact CD2-CD1 3.84Å; L103-I265 HydrophobicContact CG-CD1 4.48Å; N106-I265 VanDerWaalsContact ND2-CD1 3.26Å; N106-I265 WeakPolarHBondContact ND2-CD1 3.48Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 3.3Å; I263-I265 PolarHBondContact O-N 2.79Å; I265-M267 VanDerWaalsContact C-N 3.3Å; I265-M267 PolarHBondContact O-N 3.43Å; I265-E268 PolarHBondContact O-N 2.92Å; I265-L269 HydrophobicContact CG2-CD1 3.69Å; I265-L269 HydrophobicContact CG2-CG 4.29Å; I265-L269 WeakPolarHBondContact O-CB 3.43Å; I265-L269 WeakPolarHBondContact O-CG 3.49Å; I265-L269 PolarHBondContact O-N 3.43Å
266G94.7Very high93.5Very high0 Ų061.1 Ų61.10%032%0.315CS..Hα-helixtrans-60.9-37.8179.300000112.6N262 I263 K264 G270 Y271 I272N262-G266 PolarHBondContact O-N 3.29Å; I263-G266 PolarHBondContact O-N 3.39Å; K264-G266 VanDerWaalsContact C-N 3.33Å; K264-G266 PolarHBondContact O-N 3.34Å; G266-G270 CarbonylContact O-C 3.58Å; G266-G270 PolarHBondContact O-N 3.15Å; G266-G270 VanDerWaalsContact O-N 3.11Å; G266-Y271 WeakPolarHBondContact O-CA 2.96Å; G266-Y271 PolarHBondContact O-N 3.07Å; G266-I272 PolarHBondContact O-N 3.05Å
267M94.8Very high93.4Very high63 Ų6365.9 Ų65.931%0.3133%0.332SS..Hα-helixtrans-70.5-44.9174.7-71.2-177.274.500112I263 K264 I265 L269 G270 I272 F279I263-M267 HydrophobicContact CG2-CG 4.32Å; I263-M267 HydrophobicContact CG2-SD 4.04Å; I263-M267 WeakPolarHBondContact O-CG 3.19Å; I263-M267 PolarHBondContact O-N 3.09Å; K264-M267 PolarHBondContact O-N 3.28Å; I265-M267 VanDerWaalsContact C-N 3.3Å; I265-M267 PolarHBondContact O-N 3.43Å; M267-L269 VanDerWaalsContact C-N 3.29Å; M267-L269 PolarHBondContact O-N 3.36Å; M267-G270 PolarHBondContact O-N 2.92Å; M267-G270 VanDerWaalsContact O-N 3.12Å; M267-I272 WeakPolarHBondContact CA-O 3.4Å; M267-I272 HydrophobicContact CG-CB 3.88Å; M267-I272 HydrophobicContact CG-CG2 3.7Å; M267-F279 HydrophobicContact CE-CE2 4.2Å; M267-F279 HydrophobicContact SD-CD2 4.29Å; M267-F279 HydrophobicContact SD-CE2 3.71Å; M267-F279 HydrophobicContact SD-CZ 4.35Å
268E94.8Very high93.6Very high134 Ų13456.5 Ų56.563%0.62630%0.298SS*.Hα-helixtrans-59.7-39.2178.3-74.6172.8-176.300112.1K264 I265K264-E268 WeakPolarHBondContact CE-OE1 3.39Å; K264-E268 WeakPolarHBondContact CG-OE1 3.49Å; K264-E268 WeakPolarHBondContact O-CG 3.29Å; K264-E268 PolarHBondContact O-N 3.47Å; I265-E268 PolarHBondContact O-N 2.92Å
269L94.4Very high94Very high68 Ų6855.3 Ų55.336%0.35628%0.283SS..THydrogen-bonded Turntrans-87.4-3.9178-62.9177.2000113.7P98 L99 I265 M267 Y271P98-L269 HydrophobicContact CB-CD1 4.44Å; P98-L269 HydrophobicContact CB-CD2 4.19Å; L99-L269 HydrophobicContact CB-CD1 4.14Å; L99-L269 HydrophobicContact CD1-CD1 4.19Å; I265-L269 HydrophobicContact CG2-CD1 3.69Å; I265-L269 HydrophobicContact CG2-CG 4.29Å; I265-L269 WeakPolarHBondContact O-CB 3.43Å; I265-L269 WeakPolarHBondContact O-CG 3.49Å; I265-L269 PolarHBondContact O-N 3.43Å; M267-L269 VanDerWaalsContact C-N 3.29Å; M267-L269 PolarHBondContact O-N 3.36Å; L269-Y271 HydrophobicContact CB-CD2 3.67Å; L269-Y271 HydrophobicContact CB-CE2 3.63Å; L269-Y271 HydrophobicContact CD1-CD2 4.33Å; L269-Y271 HydrophobicContact CD1-CE2 4Å; L269-Y271 HydrophobicContact CG-CE2 4.46Å; L269-Y271 PolarHBondContact O-N 3.07Å
270G94.4Very high94.1Very high35 Ų3556.6 Ų56.636%0.36129%0.29SS..THydrogen-bonded Turntrans78.810.9177.800000116.1G266 M267 K273G266-G270 CarbonylContact O-C 3.58Å; G266-G270 PolarHBondContact O-N 3.15Å; G266-G270 VanDerWaalsContact O-N 3.11Å; M267-G270 PolarHBondContact O-N 2.92Å; M267-G270 VanDerWaalsContact O-N 3.12Å; G270-K273 VanDerWaalsContact O-CE 3.29Å; G270-K273 WeakPolarHBondContact O-CE 3.29Å
271Y94.4Very high94.1Very high57 Ų5758 Ų5822%0.22430%0.296CS..SBendtrans-74.3-31.2171.1-64.4-56.8000113L99 P145 E146 G266 L269L99-Y271 HydrophobicContact CB-CD2 4.49Å; L99-Y271 HydrophobicContact CB-CE2 3.99Å; L99-Y271 HydrophobicContact CD1-CD2 4.42Å; L99-Y271 HydrophobicContact CD2-CD2 4.44Å; P145-Y271 HydrophobicContact CB-CD1 3.8Å; P145-Y271 HydrophobicContact CB-CD2 4.47Å; P145-Y271 HydrophobicContact CB-CE1 3.85Å; P145-Y271 HydrophobicContact CB-CE2 4.49Å; P145-Y271 HydrophobicContact CB-CG 4.17Å; P145-Y271 HydrophobicContact CG-CD1 3.95Å; P145-Y271 HydrophobicContact CG-CG 4.02Å; E146-Y271 HydrophobicContact CG-CE1 4.27Å; E146-Y271 HydrophobicContact CG-CE2 4.41Å; E146-Y271 WeakPolarHBondContact CG-OH 3.49Å; E146-Y271 PolarHBondContact OE1-OH 2.82Å; E146-Y271 PolarHBondContact OE2-OH 3.27Å; E146-Y271 VanDerWaalsContact OE2-OH 3.07Å; G266-Y271 WeakPolarHBondContact O-CA 2.96Å; G266-Y271 PolarHBondContact O-N 3.07Å; L269-Y271 HydrophobicContact CB-CD2 3.67Å; L269-Y271 HydrophobicContact CB-CE2 3.63Å; L269-Y271 HydrophobicContact CD1-CD2 4.33Å; L269-Y271 HydrophobicContact CD1-CE2 4Å; L269-Y271 HydrophobicContact CG-CE2 4.46Å; L269-Y271 PolarHBondContact O-N 3.07Å
272I94.9Very high94.2Very high5 Ų557.4 Ų57.43%0.02630%0.296CS..SBendtrans-107.8119.9172.7-66.3167.5000108.8I235 V238 Q239 V242 I263 G266 M267I235-I272 HydrophobicContact CG2-CD1 4.07Å; I235-I272 HydrophobicContact CG2-CG1 3.89Å; V238-I272 HydrophobicContact CB-CD1 4.44Å; V238-I272 HydrophobicContact CG1-CD1 3.64Å; V238-I272 HydrophobicContact CG1-CG1 4.4Å; Q239-I272 HydrophobicContact CB-CG1 4.4Å; V242-I272 HydrophobicContact CG2-CG2 4.4Å; I263-I272 HydrophobicContact CB-CD1 4.25Å; I263-I272 HydrophobicContact CG1-CD1 3.99Å; I263-I272 HydrophobicContact CG2-CD1 4.39Å; G266-I272 PolarHBondContact O-N 3.05Å; M267-I272 WeakPolarHBondContact CA-O 3.4Å; M267-I272 HydrophobicContact CG-CB 3.88Å; M267-I272 HydrophobicContact CG-CG2 3.7Å
273K95.1Very high94.1Very high150 Ų15061.3 Ų61.365%0.65232%0.317SS*.  trans-115.1109.1-177.6-62.1177.5-174.5173.80108.9Q239 G270Q239-K273 PolarHBondContact NE2-O 3.18Å; G270-K273 VanDerWaalsContact O-CE 3.29Å; G270-K273 WeakPolarHBondContact O-CE 3.29Å
274A95.6Very high94.1Very high17 Ų1765.7 Ų65.714%0.1434%0.335CS..  trans-149.4141.1176.600000110.4V242 I246 F279V242-A274 HydrophobicContact CG1-CB 3.71Å; I246-A274 HydrophobicContact CD1-CB 4.09Å; A274-F279 HydrophobicContact CB-CD2 4.48Å; A274-F279 HydrophobicContact CB-CE2 3.73Å
275P93.8Very high94Very high53 Ų5359.9 Ų59.934%0.34431%0.31SS..  trans-56.2133.6162.7-21.132.1000110E277 T278P275-E277 HydrophobicContact CB-CG 4.46Å; P275-E277 WeakPolarHBondContact CB-OE1 3.32Å; P275-E277 VanDerWaalsContact CB-OE2 3.26Å; P275-E277 WeakPolarHBondContact CB-OE2 3.29Å; P275-E277 PolarHBondContact O-N 3.2Å; P275-E277 VanDerWaalsContact O-N 3.14Å; P275-T278 WeakPolarHBondContact CD-OG1 3.49Å; P275-T278 WeakPolarHBondContact O-CB 3.42Å; P275-T278 PolarHBondContact O-N 2.96Å; P275-T278 PolarHBondContact O-OG1 3.48Å
276P86.4Confident93.9Very high101 Ų10166.4 Ų66.466%0.65635%0.345SS*.G310 helixtrans-54.2-36.1-175.1-27.634.7000114.1T278 F279P276-T278 PolarHBondContact O-N 3.27Å; P276-T278 VanDerWaalsContact O-N 3.13Å; P276-F279 PolarHBondContact O-N 3.4Å
277E91.3Very high93.8Very high120 Ų12071.7 Ų71.756%0.56138%0.378SS*.G310 helixtrans-67.9-8.2178.872.5-81.4-168.200114.2K251 P275 F279K251-E277 PolarHBondContact NZ-O 3.29Å; P275-E277 HydrophobicContact CB-CG 4.46Å; P275-E277 WeakPolarHBondContact CB-OE1 3.32Å; P275-E277 VanDerWaalsContact CB-OE2 3.26Å; P275-E277 WeakPolarHBondContact CB-OE2 3.29Å; P275-E277 PolarHBondContact O-N 3.2Å; P275-E277 VanDerWaalsContact O-N 3.14Å; E277-F279 VanDerWaalsContact C-N 3.29Å
278T94.7Very high93.8Very high10 Ų1069.9 Ų69.96%0.06137%0.37CS..G310 helixtrans-66.7-36173.3-50.20000110.4I246 K251 I252 P275 P276I246-T278 HydrophobicContact CD1-CG2 4.23Å; I246-T278 HydrophobicContact CG1-CG2 3.62Å; K251-T278 WeakPolarHBondContact CA-O 3.49Å; I252-T278 HydrophobicContact CD1-CG2 3.68Å; I252-T278 HydrophobicContact CG1-CG2 3.88Å; I252-T278 PolarHBondContact N-O 2.86Å; P275-T278 WeakPolarHBondContact CD-OG1 3.49Å; P275-T278 WeakPolarHBondContact O-CB 3.42Å; P275-T278 PolarHBondContact O-N 2.96Å; P275-T278 PolarHBondContact O-OG1 3.48Å; P276-T278 PolarHBondContact O-N 3.27Å; P276-T278 VanDerWaalsContact O-N 3.13Å
279F96.5Very high93.9Very high46 Ų4666.2 Ų66.220%0.20236%0.358CS..BIsolated β-bridgetrans-86.1135.1178.1-66.2-84.6000111V242 I252 T254 I263 M267 A274 P276 E277V242-F279 HydrophobicContact CG2-CZ 4.13Å; I252-F279 HydrophobicContact CB-CD1 3.89Å; I252-F279 HydrophobicContact CB-CE1 4.06Å; I252-F279 HydrophobicContact CD1-CE1 4.3Å; I252-F279 HydrophobicContact CD1-CZ 4.41Å; I252-F279 HydrophobicContact CG2-CD1 3.85Å; I252-F279 HydrophobicContact CG2-CE1 3.7Å; I252-F279 CarbonylContact O-C 3.58Å; I252-F279 VanDerWaalsContact O-CA 3.3Å; I252-F279 WeakPolarHBondContact O-CA 3.34Å; T254-F279 HydrophobicContact CG2-CD1 4.19Å; T254-F279 HydrophobicContact CG2-CE1 4.08Å; I263-F279 HydrophobicContact CD1-CE1 4.44Å; I263-F279 HydrophobicContact CG2-CE1 4.05Å; I263-F279 HydrophobicContact CG2-CZ 3.82Å; M267-F279 HydrophobicContact CE-CE2 4.2Å; M267-F279 HydrophobicContact SD-CD2 4.29Å; M267-F279 HydrophobicContact SD-CE2 3.71Å; M267-F279 HydrophobicContact SD-CZ 4.35Å; A274-F279 HydrophobicContact CB-CD2 4.48Å; A274-F279 HydrophobicContact CB-CE2 3.73Å; P276-F279 PolarHBondContact O-N 3.4Å; E277-F279 VanDerWaalsContact C-N 3.29Å
280I96.3Very high94Very high28 Ų2868.1 Ų68.114%0.14436%0.363CS..  trans-116.8150.3176.466.1174.4000110.6K251 I252 V253 V288 L293K251-I280 HydrophobicContact CB-CD1 4.32Å; K251-I280 HydrophobicContact CB-CG2 3.89Å; K251-I280 HydrophobicContact CD-CG2 4.25Å; K251-I280 HydrophobicContact CG-CG2 4.13Å; I252-I280 PolarHBondContact O-N 2.98Å; V253-I280 HydrophobicContact CB-CD1 4.36Å; V253-I280 HydrophobicContact CB-CG1 3.91Å; V253-I280 HydrophobicContact CG2-CG1 4.49Å; I280-V288 HydrophobicContact CD1-CB 4.46Å; I280-V288 HydrophobicContact CD1-CG2 3.69Å; I280-L293 HydrophobicContact CD1-CD1 3.72Å
281E94.5Very high94.1Very high108 Ų10871.4 Ų71.451%0.50537%0.369SS..  trans-68.4146.1171.5-71.2177.6-162.400111.4N283 K284E281-N283 WeakPolarHBondContact CB-OD1 3.29Å; E281-N283 PolarHBondContact O-N 3.14Å; E281-N283 VanDerWaalsContact O-N 3.09Å; E281-N283 PolarHBondContact O-OD1 2.87Å; E281-N283 PolarHBondContact OE2-ND2 2.82Å; E281-N283 PolarHBondContact OE2-OD1 3.11Å; E281-K284 WeakPolarHBondContact O-CB 3.22Å; E281-K284 PolarHBondContact O-N 3.29Å
282P94.1Very high94.2Very high43 Ų4372.1 Ų72.128%0.27937%0.374SS..G310 helixtrans-55.7-27.9179.8-31.238.1000115.9V253 F255 K284 Q318V253-P282 HydrophobicContact CG2-CB 4.34Å; V253-P282 HydrophobicContact CG2-CG 4.1Å; F255-P282 HydrophobicContact CE1-CB 4.02Å; F255-P282 HydrophobicContact CE1-CG 4.26Å; F255-P282 HydrophobicContact CZ-CB 3.96Å; F255-P282 HydrophobicContact CZ-CG 4.34Å; P282-K284 VanDerWaalsContact C-N 3.27Å; P282-K284 PolarHBondContact O-N 3.23Å; P282-Q318 VanDerWaalsContact C-NE2 3.34Å; P282-Q318 VanDerWaalsContact CB-NE2 3.25Å; P282-Q318 PolarHBondContact O-NE2 2.89Å
283N93.2Very high94.3Very high102 Ų10272 Ų7255%0.54537%0.374SS..G310 helixtrans-69.2-20.4175.558.60.7000113.3E281E281-N283 WeakPolarHBondContact CB-OD1 3.29Å; E281-N283 PolarHBondContact O-N 3.14Å; E281-N283 VanDerWaalsContact O-N 3.09Å; E281-N283 PolarHBondContact O-OD1 2.87Å; E281-N283 PolarHBondContact OE2-ND2 2.82Å; E281-N283 PolarHBondContact OE2-OD1 3.11Å
284K93.3Very high94.4Very high103 Ų10364.9 Ų64.945%0.44834%0.343SS..G310 helixtrans-92-0.4-179.6-66.5-179.4-174176.70113.7E281 P282 N286 T287E281-K284 WeakPolarHBondContact O-CB 3.22Å; E281-K284 PolarHBondContact O-N 3.29Å; P282-K284 VanDerWaalsContact C-N 3.27Å; P282-K284 PolarHBondContact O-N 3.23Å; K284-N286 PolarHBondContact O-N 2.87Å; K284-N286 VanDerWaalsContact O-N 3.15Å; K284-T287 PolarHBondContact O-N 2.92Å; K284-T287 PolarHBondContact O-OG1 3.21Å
285I93.5Very high94.6Very high5 Ų564 Ų643%0.02634%0.336CS..G310 helixtrans-50.6-44.1179.1-86.6179.5000112.6V253 F255 T287 V288 L293 I319V253-I285 HydrophobicContact CB-CD1 4.34Å; V253-I285 HydrophobicContact CB-CG1 4.23Å; V253-I285 HydrophobicContact CG1-CD1 3.76Å; V253-I285 HydrophobicContact CG1-CG1 3.91Å; V253-I285 HydrophobicContact CG2-CD1 3.98Å; V253-I285 HydrophobicContact CG2-CG1 4.09Å; F255-I285 HydrophobicContact CE2-CD1 3.76Å; F255-I285 HydrophobicContact CZ-CD1 3.64Å; I285-T287 PolarHBondContact O-N 2.78Å; I285-V288 PolarHBondContact O-N 3.06Å; I285-L293 HydrophobicContact CG1-CD2 4.3Å; I285-L293 HydrophobicContact CG2-CD2 4.09Å; I285-I319 HydrophobicContact CD1-CD1 3.63Å; I285-I319 HydrophobicContact CD1-CG1 3.81Å
286N90.6Very high94.7Very high147 Ų14761.5 Ų61.579%0.78632%0.32SS*.G310 helixtrans-75.4-8.5-174.9-64.1-32.1000113.1K284K284-N286 PolarHBondContact O-N 2.87Å; K284-N286 VanDerWaalsContact O-N 3.15Å
287T93.8Very high95.2Very high111 Ų11156.7 Ų56.768%0.68129%0.288SS*.G310 helixtrans-92.6-11.4176.371.20000112.6K284 I285K284-T287 PolarHBondContact O-N 2.92Å; K284-T287 PolarHBondContact O-OG1 3.21Å; I285-T287 PolarHBondContact O-N 2.78Å
288V95.4Very high95.4Very high25 Ų2552 Ų5215%0.15227%0.268CS..SBendtrans-98.3132.4-179.2-179.30000109.5K251 I280 I285 E292 L293K251-V288 HydrophobicContact CB-CG1 4.26Å; K251-V288 HydrophobicContact CG-CG1 4.36Å; I280-V288 HydrophobicContact CD1-CB 4.46Å; I280-V288 HydrophobicContact CD1-CG2 3.69Å; I285-V288 PolarHBondContact O-N 3.06Å; V288-E292 HydrophobicContact CG1-CB 3.91Å; V288-L293 HydrophobicContact CG1-CB 4.39Å; V288-L293 HydrophobicContact CG1-CD1 4.41Å
289P96.1Very high95.4Very high56 Ų5651.6 Ų51.636%0.36427%0.266SS..  trans-54.5141173.5-25.534.9000111.8H291 E292P289-H291 VanDerWaalsContact C-N 3.26Å; P289-H291 PolarHBondContact O-N 3.48Å; P289-H291 VanDerWaalsContact O-N 3.17Å; P289-E292 HydrophobicContact CB-CB 4.36Å; P289-E292 HydrophobicContact CB-CG 4.16Å; P289-E292 HydrophobicContact CG-CG 4.42Å; P289-E292 WeakPolarHBondContact O-CA 3.47Å; P289-E292 PolarHBondContact O-N 2.9Å
290K96.2Very high95.2Very high109 Ų10949.5 Ų49.547%0.47426%0.257SS..G310 helixtrans-53.9-41.8-174.9-64.1175.6-177.6-179.90113.2G224 R225 E292 L293 I322G224-K290 CarbonylContact C-O 3.59Å; R225-K290 VanDerWaalsContact CA-O 3.31Å; R225-K290 WeakPolarHBondContact CA-O 3.27Å; R225-K290 HydrophobicContact CG-CB 3.92Å; R225-K290 HydrophobicContact CG-CG 4.36Å; R225-K290 WeakPolarHBondContact CG-O 3.2Å; R225-K290 PolarHBondContact N-O 3.21Å; K290-E292 PolarHBondContact O-N 3.32Å; K290-L293 PolarHBondContact O-N 3.38Å; K290-I322 HydrophobicContact CD-CD1 3.7Å; K290-I322 VanDerWaalsContact CE-CD1 3.48Å; K290-I322 HydrophobicContact CG-CD1 4.31Å
291H95.9Very high94.9Very high104 Ų10448.4 Ų48.448%0.48125%0.251SS..G310 helixtrans-73.7-10.8-179.171.1-86.2000113.7K223 R250 P289K223-H291 WeakPolarHBondContact O-CB 3.49Å; R250-H291 PolarHBondContact NH1-O 3.43Å; P289-H291 VanDerWaalsContact C-N 3.26Å; P289-H291 PolarHBondContact O-N 3.48Å; P289-H291 VanDerWaalsContact O-N 3.17Å
292E96.7Very high94.6Very high72 Ų7243.5 Ų43.534%0.33623%0.229SC..G310 helixtrans-102.713.9175.7-62.7179.6-162.800111.4R250 K251 V288 P289 K290R250-E292 CarbonylContact C-O 3.52Å; R250-E292 WeakPolarHBondContact CA-O 3.41Å; K251-E292 PolarHBondContact N-O 2.98Å; V288-E292 HydrophobicContact CG1-CB 3.91Å; P289-E292 HydrophobicContact CB-CB 4.36Å; P289-E292 HydrophobicContact CB-CG 4.16Å; P289-E292 HydrophobicContact CG-CG 4.42Å; P289-E292 WeakPolarHBondContact O-CA 3.47Å; P289-E292 PolarHBondContact O-N 2.9Å; K290-E292 PolarHBondContact O-N 3.32Å
293L97.4Very high94.3Very high2 Ų245.1 Ų45.11%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-116.7125.6-174.8-169.363.1000112.6R225 I226 V253 I280 I285 V288 K290 I295R225-L293 HydrophobicContact CG-CB 4.3Å; R225-L293 HydrophobicContact CG-CD2 4.29Å; I226-L293 PolarHBondContact N-O 3.12Å; I226-L293 VanDerWaalsContact N-O 3.12Å; V253-L293 HydrophobicContact CG1-CD1 4.02Å; I280-L293 HydrophobicContact CD1-CD1 3.72Å; I285-L293 HydrophobicContact CG1-CD2 4.3Å; I285-L293 HydrophobicContact CG2-CD2 4.09Å; V288-L293 HydrophobicContact CG1-CB 4.39Å; V288-L293 HydrophobicContact CG1-CD1 4.41Å; K290-L293 PolarHBondContact O-N 3.38Å; L293-I295 HydrophobicContact CD2-CD1 4.3Å; L293-I295 HydrophobicContact CD2-CG1 4.26Å; L293-I295 HydrophobicContact CG-CG1 4.25Å
294L98.1Very high93.8Very high0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-106.5125.8162.2172.965.3000109.1F219 I226 F228 A241 A245 R250 K251 I252 V253F219-L294 HydrophobicContact CE1-CD1 3.92Å; F219-L294 HydrophobicContact CE1-CD2 3.93Å; F219-L294 HydrophobicContact CE1-CG 4.34Å; F219-L294 HydrophobicContact CZ-CD1 3.58Å; F219-L294 HydrophobicContact CZ-CD2 4Å; F219-L294 HydrophobicContact CZ-CG 4.37Å; I226-L294 HydrophobicContact CB-CD1 3.96Å; I226-L294 HydrophobicContact CG2-CD1 3.75Å; F228-L294 HydrophobicContact CB-CD1 3.69Å; A241-L294 HydrophobicContact CB-CD2 4.48Å; A245-L294 HydrophobicContact CB-CB 4.28Å; A245-L294 HydrophobicContact CB-CD2 3.79Å; R250-L294 HydrophobicContact CB-CB 4.44Å; K251-L294 PolarHBondContact O-N 2.86Å; I252-L294 WeakPolarHBondContact CA-O 3.41Å; I252-L294 HydrophobicContact CD1-CD2 4.36Å; I252-L294 HydrophobicContact CG1-CB 4.39Å; I252-L294 HydrophobicContact CG1-CD2 4.09Å; I252-L294 HydrophobicContact CG2-CD2 4.21Å; V253-L294 PolarHBondContact N-O 3.4Å
295I97.9Very high93.5Very high0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-104.2105.8169.9-62.9152.2000107.3R225 I226 I227 F228 V253 F255 L293 I319R225-I295 HydrophobicContact CB-CD1 4.43Å; I226-I295 PolarHBondContact O-N 2.85Å; I227-I295 CarbonylContact C-O 3.4Å; I227-I295 WeakPolarHBondContact CA-O 3.27Å; I227-I295 HydrophobicContact CD1-CD1 4.4Å; I227-I295 HydrophobicContact CG1-CB 4.17Å; I227-I295 HydrophobicContact CG1-CD1 3.76Å; I227-I295 HydrophobicContact CG2-CG2 4.34Å; F228-I295 PolarHBondContact N-O 2.78Å; V253-I295 HydrophobicContact CG1-CB 4.17Å; V253-I295 HydrophobicContact CG1-CG1 3.62Å; V253-I295 HydrophobicContact CG1-CG2 4.44Å; V253-I295 CarbonylContact O-C 3.6Å; V253-I295 WeakPolarHBondContact O-CA 3.3Å; F255-I295 HydrophobicContact CD2-CG2 3.75Å; F255-I295 HydrophobicContact CE2-CG2 4.09Å; L293-I295 HydrophobicContact CD2-CD1 4.3Å; L293-I295 HydrophobicContact CD2-CG1 4.26Å; L293-I295 HydrophobicContact CG-CG1 4.25Å; I295-I319 HydrophobicContact CB-CD1 4.4Å; I295-I319 HydrophobicContact CD1-CD1 3.65Å; I295-I319 HydrophobicContact CD1-CG2 4.45Å; I295-I319 HydrophobicContact CG1-CD1 3.8Å; I295-I319 HydrophobicContact CG2-CD1 3.66Å
296L97.5Very high93.5Very high0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-95.6120.4178.1-172.769.1000109.4F228 T230 V238 A241 I252 V253 T254 F255 M259 I263F228-L296 HydrophobicContact CB-CD1 4.11Å; F228-L296 HydrophobicContact CD1-CD1 3.69Å; F228-L296 HydrophobicContact CG-CD1 4.29Å; T230-L296 HydrophobicContact CG2-CD1 4.39Å; V238-L296 HydrophobicContact CG1-CD2 3.84Å; V238-L296 HydrophobicContact CG2-CD2 4.46Å; A241-L296 HydrophobicContact CB-CD1 4.24Å; I252-L296 HydrophobicContact CG2-CB 4.28Å; V253-L296 PolarHBondContact O-N 2.81Å; T254-L296 CarbonylContact C-O 3.56Å; T254-L296 VanDerWaalsContact CA-O 3.27Å; T254-L296 WeakPolarHBondContact CA-O 3.49Å; T254-L296 HydrophobicContact CG2-CB 4.45Å; F255-L296 PolarHBondContact N-O 3.47Å; M259-L296 HydrophobicContact CE-CG 4.35Å; M259-L296 HydrophobicContact CG-CD2 4.38Å; M259-L296 HydrophobicContact CG-CG 4.33Å; M259-L296 HydrophobicContact SD-CD2 3.95Å; M259-L296 HydrophobicContact SD-CG 4.06Å; I263-L296 HydrophobicContact CD1-CD2 3.68Å
297C97.1Very high93.7Very high0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-143.9162.5-169.969.80000115.1F228 A229 T230 F255 A307F228-C297 PolarHBondContact O-N 2.85Å; A229-C297 WeakPolarHBondContact CA-O 3.13Å; T230-C297 PolarHBondContact N-O 2.89Å; F255-C297 HydrophobicContact CB-CB 4.03Å; F255-C297 WeakPolarHBondContact O-CA 3.45Å; C297-A307 HydrophobicContact CB-CB 3.84Å
298T95.6Very high93.8Very high22 Ų2236 Ų3614%0.13519%0.19CC..SBendtrans-84.3171.6167.963.40000111.7A232 F255 M259 L308A232-T298 HydrophobicContact CB-CG2 4.31Å; F255-T298 PolarHBondContact O-N 3.04Å; M259-T298 HydrophobicContact CB-CG2 3.93Å; M259-T298 HydrophobicContact CE-CG2 4.43Å; T298-L308 WeakPolarHBondContact O-CB 3.34Å; T298-L308 PolarHBondContact O-N 3.3Å
299G93.2Very high93.8Very high1 Ų134.8 Ų34.81%0.0118%0.183CC..  trans106.620.1176.900000114.4Q301 G302 E303G299-Q301 PolarHBondContact O-N 3.35Å; G299-G302 PolarHBondContact O-N 3.26Å; G299-G302 VanDerWaalsContact O-N 3.17Å; G299-E303 VanDerWaalsContact C-OE2 3.22Å; G299-E303 WeakPolarHBondContact CA-OE2 3.38Å
300S92.2Very high93.8Very high2 Ų236.2 Ų36.21%0.01418%0.181CC..THydrogen-bonded Turntrans-68.5-13.9-178.980.10000113.3S331S300-S331 VanDerWaalsContact CB-OG 3.27Å; S300-S331 WeakPolarHBondContact CB-OG 3.42Å; S300-S331 PolarHBondContact O-OG 3.44Å; S300-S331 WeakPolarHBondContact OG-CB 3.45Å; S300-S331 PolarHBondContact OG-OG 3.49Å
301Q90.2Very high93.8Very high4 Ų431 Ų312%0.01916%0.159CC..THydrogen-bonded Turntrans-101.37.3175.7-57.4-61.6-5200113F231 G299 E303 S332 I334 N337 I341F231-Q301 HydrophobicContact CE1-CG 3.81Å; F231-Q301 HydrophobicContact CZ-CG 3.84Å; G299-Q301 PolarHBondContact O-N 3.35Å; Q301-E303 VanDerWaalsContact C-N 3.32Å; Q301-E303 VanDerWaalsContact C-OE2 3.3Å; Q301-E303 WeakPolarHBondContact CA-OE2 3.45Å; Q301-E303 HydrophobicContact CB-CG 4.29Å; Q301-E303 WeakPolarHBondContact CB-OE2 3.31Å; Q301-E303 PolarHBondContact N-OE2 2.88Å; Q301-S332 PolarHBondContact NE2-O 3.48Å; Q301-I334 HydrophobicContact CG-CD1 4.1Å; Q301-I334 HydrophobicContact CG-CG1 4.49Å; Q301-N337 HydrophobicContact CB-CB 4.25Å; Q301-I341 WeakPolarHBondContact O-CG1 3.23Å
302G89.6Confident93.8Very high5 Ų526.5 Ų26.55%0.05214%0.139CC..  trans73.522.8-179.800000113.8G299G299-G302 PolarHBondContact O-N 3.26Å; G299-G302 VanDerWaalsContact O-N 3.17Å
303E87.3Confident93.7Very high78 Ų7827.4 Ų27.436%0.36415%0.146SC..  trans-59.3125.1177.8-52.395.1128.100109.2G299 Q301 M305 A306 S309G299-E303 VanDerWaalsContact C-OE2 3.22Å; G299-E303 WeakPolarHBondContact CA-OE2 3.38Å; Q301-E303 VanDerWaalsContact C-N 3.32Å; Q301-E303 VanDerWaalsContact C-OE2 3.3Å; Q301-E303 WeakPolarHBondContact CA-OE2 3.45Å; Q301-E303 HydrophobicContact CB-CG 4.29Å; Q301-E303 WeakPolarHBondContact CB-OE2 3.31Å; Q301-E303 PolarHBondContact N-OE2 2.88Å; E303-M305 VanDerWaalsContact C-N 3.28Å; E303-M305 PolarHBondContact O-N 2.85Å; E303-M305 VanDerWaalsContact O-N 3.14Å; E303-A306 HydrophobicContact CB-CB 3.9Å; E303-A306 WeakPolarHBondContact O-CB 3.47Å; E303-A306 PolarHBondContact O-N 3.14Å; E303-A306 VanDerWaalsContact O-N 3.07Å; E303-S309 WeakPolarHBondContact O-CB 3.35Å; E303-S309 PolarHBondContact O-OG 3.15Å
304P82.7Confident93.4Very high90 Ų9029.4 Ų29.458%0.58417%0.168SC*.THydrogen-bonded Turntrans-59.4-35.7-166.4-27.433.8000114.6
305M87Confident93.2Very high158 Ų15833.7 Ų33.778%0.77819%0.194SC*.THydrogen-bonded Turntrans-90.7-8.5-177.2-65.3-58.511100113.6E303 R310E303-M305 VanDerWaalsContact C-N 3.28Å; E303-M305 PolarHBondContact O-N 2.85Å; E303-M305 VanDerWaalsContact O-N 3.14Å; M305-R310 WeakPolarHBondContact O-CD 3.46Å
306A92.4Very high93.1Very high17 Ų1734.5 Ų34.514%0.1420%0.198CC..SBendtrans-70.1160.7179.500000112E303 L308 S309 R310E303-A306 HydrophobicContact CB-CB 3.9Å; E303-A306 WeakPolarHBondContact O-CB 3.47Å; E303-A306 PolarHBondContact O-N 3.14Å; E303-A306 VanDerWaalsContact O-N 3.07Å; A306-L308 PolarHBondContact O-N 3.5Å; A306-S309 PolarHBondContact O-N 3.05Å; A306-R310 WeakPolarHBondContact O-CG 3.29Å; A306-R310 PolarHBondContact O-N 2.82Å; A306-R310 VanDerWaalsContact O-N 3.13Å
307A95.4Very high92.8Very high10 Ų1043.8 Ų43.88%0.08324%0.238CC..Hα-helixtrans-56-50.1-172.200000112.3F255 C297 S309 R310 I311F255-A307 HydrophobicContact CB-CB 3.67Å; C297-A307 HydrophobicContact CB-CB 3.84Å; A307-S309 PolarHBondContact O-N 2.8Å; A307-R310 PolarHBondContact O-N 3.31Å; A307-I311 VanDerWaalsContact O-CG1 3.24Å; A307-I311 WeakPolarHBondContact O-CG1 3.27Å; A307-I311 PolarHBondContact O-N 3.25Å
308L97Very high92.6Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-61.1-46.1-178.3-17367.8000113I227 A229 T298 A306 R310 I311 A312 V327 F329 T344I227-L308 HydrophobicContact CG2-CD1 3.75Å; A229-L308 HydrophobicContact CB-CD2 3.64Å; A229-L308 HydrophobicContact CB-CG 4.46Å; T298-L308 WeakPolarHBondContact O-CB 3.34Å; T298-L308 PolarHBondContact O-N 3.3Å; A306-L308 PolarHBondContact O-N 3.5Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.01Å; L308-I311 WeakPolarHBondContact O-CB 3.44Å; L308-I311 PolarHBondContact O-N 3.26Å; L308-I311 VanDerWaalsContact O-N 3.14Å; L308-A312 WeakPolarHBondContact O-CB 3.37Å; L308-A312 PolarHBondContact O-N 2.95Å; L308-V327 HydrophobicContact CD1-CG1 3.81Å; L308-V327 HydrophobicContact CD2-CG1 4.49Å; L308-F329 HydrophobicContact CD2-CD1 4.23Å; L308-F329 HydrophobicContact CD2-CE1 3.46Å; L308-F329 VanDerWaalsContact CD2-CE1 3.46Å; L308-F329 HydrophobicContact CD2-CE2 4.12Å; L308-F329 HydrophobicContact CD2-CZ 3.4Å; L308-F329 VanDerWaalsContact CD2-CZ 3.4Å; L308-T344 HydrophobicContact CD2-CG2 4.12Å; L308-T344 HydrophobicContact CG-CG2 4.11Å
309S94.7Very high92.6Very high1 Ų146.7 Ų46.71%0.00725%0.251CS..Hα-helixtrans-61.4-40179.5-58.40000111.7E303 A306 A307 A312 N313E303-S309 WeakPolarHBondContact O-CB 3.35Å; E303-S309 PolarHBondContact O-OG 3.15Å; A306-S309 PolarHBondContact O-N 3.05Å; A307-S309 PolarHBondContact O-N 2.8Å; S309-A312 PolarHBondContact O-N 2.94Å; S309-N313 WeakPolarHBondContact O-CB 3.32Å; S309-N313 VanDerWaalsContact O-CG 3.28Å; S309-N313 PolarHBondContact O-N 3.33Å; S309-N313 PolarHBondContact O-ND2 3.06Å
310R95.8Very high92.6Very high85 Ų8553.6 Ų53.632%0.32128%0.28SS..Hα-helixtrans-67.6-37175.2-67.9-177.961.5-150.1-3.3112.5M305 A306 A307 L308 G314 T315 H316M305-R310 WeakPolarHBondContact O-CD 3.46Å; A306-R310 WeakPolarHBondContact O-CG 3.29Å; A306-R310 PolarHBondContact O-N 2.82Å; A306-R310 VanDerWaalsContact O-N 3.13Å; A307-R310 PolarHBondContact O-N 3.31Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.01Å; R310-G314 PolarHBondContact O-N 3.32Å; R310-G314 VanDerWaalsContact O-N 3.16Å; R310-T315 PolarHBondContact NH2-O 2.93Å; R310-T315 VanDerWaalsContact NH2-O 3.08Å; R310-T315 PolarHBondContact O-N 2.9Å; R310-T315 PolarHBondContact O-OG1 3.06Å; R310-H316 HydrophobicContact CB-CB 4Å; R310-H316 PolarHBondContact O-N 2.97Å; R310-H316 VanDerWaalsContact O-N 3.07Å
311I96.5Very high92.9Very high1 Ų154.6 Ų54.61%0.00529%0.285CS..Hα-helixtrans-64.2-49.1174.9-69.6165.7000109.8I227 A307 L308 N313 G314 H316 I319 I321I227-I311 HydrophobicContact CD1-CG2 4.37Å; A307-I311 VanDerWaalsContact O-CG1 3.24Å; A307-I311 WeakPolarHBondContact O-CG1 3.27Å; A307-I311 PolarHBondContact O-N 3.25Å; L308-I311 WeakPolarHBondContact O-CB 3.44Å; L308-I311 PolarHBondContact O-N 3.26Å; L308-I311 VanDerWaalsContact O-N 3.14Å; I311-N313 VanDerWaalsContact C-N 3.32Å; I311-N313 PolarHBondContact O-N 2.95Å; I311-G314 PolarHBondContact O-N 3.24Å; I311-G314 VanDerWaalsContact O-N 3.11Å; I311-H316 HydrophobicContact CB-CB 4.41Å; I311-H316 HydrophobicContact CG1-CB 3.69Å; I311-I319 HydrophobicContact CD1-CB 4.26Å; I311-I319 HydrophobicContact CD1-CD1 4.4Å; I311-I319 HydrophobicContact CD1-CG2 4.06Å; I311-I319 HydrophobicContact CG1-CB 4.05Å; I311-I319 HydrophobicContact CG1-CG2 3.98Å; I311-I319 HydrophobicContact CG2-CG2 3.82Å; I311-I321 HydrophobicContact CG2-CD1 3.56Å; I311-I321 HydrophobicContact CG2-CG1 3.89Å
312A96Very high93.1Very high8 Ų856.4 Ų56.47%0.06630%0.295CS..Hα-helixtrans-60.7-39.6179.800000112.7L308 S309 G314 T344 L348L308-A312 WeakPolarHBondContact O-CB 3.37Å; L308-A312 PolarHBondContact O-N 2.95Å; S309-A312 PolarHBondContact O-N 2.94Å; A312-G314 VanDerWaalsContact C-N 3.29Å; A312-G314 PolarHBondContact O-N 3.14Å; A312-T344 HydrophobicContact CB-CG2 3.89Å; A312-L348 HydrophobicContact CB-CD2 3.54Å; A312-L348 HydrophobicContact CB-CG 3.71Å
313N93.2Very high93Very high91 Ų9160.8 Ų60.849%0.48732%0.322SS..THydrogen-bonded Turntrans-85.22.3179.2-64.7-34.7000113.6S309 I311 T315 S347S309-N313 WeakPolarHBondContact O-CB 3.32Å; S309-N313 VanDerWaalsContact O-CG 3.28Å; S309-N313 PolarHBondContact O-N 3.33Å; S309-N313 PolarHBondContact O-ND2 3.06Å; I311-N313 VanDerWaalsContact C-N 3.32Å; I311-N313 PolarHBondContact O-N 2.95Å; N313-T315 VanDerWaalsContact C-N 3.28Å; N313-T315 PolarHBondContact O-N 3.23Å; N313-S347 PolarHBondContact OD1-OG 3.01Å; N313-S347 VanDerWaalsContact OD1-OG 3.1Å
314G92.8Very high93.2Very high45 Ų4563 Ų6346%0.46433%0.332SS..THydrogen-bonded Turntrans71.514.1177.600000115.5R310 I311 A312R310-G314 PolarHBondContact O-N 3.32Å; R310-G314 VanDerWaalsContact O-N 3.16Å; I311-G314 PolarHBondContact O-N 3.24Å; I311-G314 VanDerWaalsContact O-N 3.11Å; A312-G314 VanDerWaalsContact C-N 3.29Å; A312-G314 PolarHBondContact O-N 3.14Å
315T94.1Very high93.8Very high90 Ų9058.7 Ų58.755%0.55230%0.304SS*.  trans-100.4-0.8-178.563.10000113.4R310 N313R310-T315 PolarHBondContact NH2-O 2.93Å; R310-T315 VanDerWaalsContact NH2-O 3.08Å; R310-T315 PolarHBondContact O-N 2.9Å; R310-T315 PolarHBondContact O-OG1 3.06Å; N313-T315 VanDerWaalsContact C-N 3.28Å; N313-T315 PolarHBondContact O-N 3.23Å
316H94.9Very high94.3Very high17 Ų1751.7 Ų51.78%0.07927%0.27CS..  trans-73136.2175.1-167.7-90.9000111.2F255 R310 I311 Q318 I319F255-H316 AromaticContact CD1-CE1 3.39Å; F255-H316 WeakPolarHBondContact CD1-CE1 3.48Å; F255-H316 AromaticContact CD1-NE2 3.43Å; F255-H316 WeakPolarHBondContact CD1-NE2 3.27Å; F255-H316 AromaticContact CE1-CE1 3.35Å; F255-H316 WeakPolarHBondContact CE1-CE1 3.19Å; F255-H316 AromaticContact CE1-NE2 3.87Å; R310-H316 HydrophobicContact CB-CB 4Å; R310-H316 PolarHBondContact O-N 2.97Å; R310-H316 VanDerWaalsContact O-N 3.07Å; I311-H316 HydrophobicContact CB-CB 4.41Å; I311-H316 HydrophobicContact CG1-CB 3.69Å; H316-Q318 PolarHBondContact ND1-N 3.46Å; H316-Q318 PolarHBondContact O-N 2.87Å; H316-I319 WeakPolarHBondContact CB-O 3.37Å; H316-I319 PolarHBondContact ND1-N 3.1Å
317K92.2Very high94.6Very high194 Ų19450.9 Ų50.984%0.84326%0.264SS*.SBendtrans-66.4-36.7-168.3-171.3179.3179.1-177.70113.3
318Q92.6Very high94.6Very high84 Ų8450.4 Ų50.439%0.39326%0.26SS..SBendtrans-116.1-13.2-168.9-68.5168.8-70.500114.1P282 H316P282-Q318 VanDerWaalsContact C-NE2 3.34Å; P282-Q318 VanDerWaalsContact CB-NE2 3.25Å; P282-Q318 PolarHBondContact O-NE2 2.89Å; H316-Q318 PolarHBondContact ND1-N 3.46Å; H316-Q318 PolarHBondContact O-N 2.87Å
319I94.4Very high94.5Very high0 Ų050.6 Ų50.60%026%0.261CS..  trans-130129.3-174.3-60.8-165000108.5F255 I285 I295 I311 H316F255-I319 HydrophobicContact CD2-CD1 3.86Å; F255-I319 HydrophobicContact CE2-CD1 3.22Å; F255-I319 HydrophobicContact CE2-CG1 4.06Å; F255-I319 HydrophobicContact CZ-CD1 3.66Å; F255-I319 HydrophobicContact CZ-CG1 3.97Å; I285-I319 HydrophobicContact CD1-CD1 3.63Å; I285-I319 HydrophobicContact CD1-CG1 3.81Å; I295-I319 HydrophobicContact CB-CD1 4.4Å; I295-I319 HydrophobicContact CD1-CD1 3.65Å; I295-I319 HydrophobicContact CD1-CG2 4.45Å; I295-I319 HydrophobicContact CG1-CD1 3.8Å; I295-I319 HydrophobicContact CG2-CD1 3.66Å; I311-I319 HydrophobicContact CD1-CB 4.26Å; I311-I319 HydrophobicContact CD1-CD1 4.4Å; I311-I319 HydrophobicContact CD1-CG2 4.06Å; I311-I319 HydrophobicContact CG1-CB 4.05Å; I311-I319 HydrophobicContact CG1-CG2 3.98Å; I311-I319 HydrophobicContact CG2-CG2 3.82Å; H316-I319 WeakPolarHBondContact CB-O 3.37Å; H316-I319 PolarHBondContact ND1-N 3.1Å
320K94.6Very high94.4Very high146 Ų14650.5 Ų50.564%0.63526%0.26SS*.  trans-121.2147.2164.4-63.8-177.3179.9-1780107.5R225R225-K320 PolarHBondContact NH2-O 2.97Å
321I97.1Very high94Very high22 Ų2246.7 Ų46.711%0.11325%0.246CC..  trans-62.5138.5169.3-63.8-60.3000109.1I227 I311 D325 V327 L348 A351 A353I227-I321 HydrophobicContact CD1-CD1 3.44Å; I227-I321 VanDerWaalsContact CD1-CD1 3.44Å; I311-I321 HydrophobicContact CG2-CD1 3.56Å; I311-I321 HydrophobicContact CG2-CG1 3.89Å; I321-D325 WeakPolarHBondContact CA-OD2 3.31Å; I321-V327 HydrophobicContact CD1-CG2 4.32Å; I321-L348 HydrophobicContact CD1-CD2 3.67Å; I321-L348 HydrophobicContact CG1-CD2 3.84Å; I321-A351 HydrophobicContact CB-CB 3.73Å; I321-A351 HydrophobicContact CG1-CB 4.22Å; I321-A351 HydrophobicContact CG2-CB 3.63Å; I321-A351 WeakPolarHBondContact CG2-O 3.44Å; I321-A353 HydrophobicContact CD1-CB 4.5Å; I321-A353 HydrophobicContact CG2-CB 3.77Å
322I94Very high93.4Very high43 Ų4348.8 Ų48.822%0.22126%0.261CS..  trans-125.9158.1172.266.1-174.7000109.4K290 E324 D325K290-I322 HydrophobicContact CD-CD1 3.7Å; K290-I322 VanDerWaalsContact CE-CD1 3.48Å; K290-I322 HydrophobicContact CG-CD1 4.31Å; I322-E324 PolarHBondContact O-N 3.1Å; I322-D325 WeakPolarHBondContact CG1-OD1 3.34Å; I322-D325 PolarHBondContact N-OD2 2.97Å; I322-D325 WeakPolarHBondContact O-CB 3.4Å; I322-D325 PolarHBondContact O-N 2.85Å; I322-D325 VanDerWaalsContact O-N 3.17Å
323P88.7Confident92.7Very high97 Ų9751.3 Ų51.363%0.6328%0.277SS*.THydrogen-bonded Turntrans-52.9140.4169.1-24.734.6000110.7
324E90.6Very high91.9Very high123 Ų12350.2 Ų50.258%0.57527%0.27SS*.THydrogen-bonded Turntrans79.70.4-174.4-48.5176164.900116.4G224 I322 T326G224-E324 WeakPolarHBondContact CA-O 3.1Å; I322-E324 PolarHBondContact O-N 3.1Å; E324-T326 PolarHBondContact O-N 3.01Å
325D96.8Very high90.9Very high0 Ų052.3 Ų52.30%028%0.276CS..  trans-65.6132.3168.1-76.6-17.9000110.4R225 I227 I321 I322 A353 D354R225-D325 WeakPolarHBondContact CB-OD1 3.41Å; R225-D325 IonicContact CZ-OD1 3.17Å; R225-D325 IonicContact CZ-OD2 3.18Å; R225-D325 IonicContact NE-OD1 2.71Å; R225-D325 PolarHBondContact NE-OD1 3.45Å; R225-D325 IonicContact NE-OD2 3.71Å; R225-D325 VanDerWaalsContact NH2-CG 3.33Å; R225-D325 IonicContact NH2-OD1 3.44Å; R225-D325 PolarHBondContact NH2-OD1 2.9Å; R225-D325 IonicContact NH2-OD2 2.66Å; R225-D325 PolarHBondContact NH2-OD2 2.91Å; I227-D325 HydrophobicContact CD1-CB 4.38Å; I321-D325 WeakPolarHBondContact CA-OD2 3.31Å; I322-D325 WeakPolarHBondContact CG1-OD1 3.34Å; I322-D325 PolarHBondContact N-OD2 2.97Å; I322-D325 WeakPolarHBondContact O-CB 3.4Å; I322-D325 PolarHBondContact O-N 2.85Å; I322-D325 VanDerWaalsContact O-N 3.17Å; D325-A353 HydrophobicContact CB-CB 4.2Å; D325-A353 WeakPolarHBondContact O-CA 3.5Å; D325-D354 PolarHBondContact O-N 2.97Å
326T97.2Very high89.9Confident11 Ų1150.5 Ų50.57%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-104.5120.9166.9-52.20000109.5C222 R225 I226 I227 E324 V328 D354 I356C222-T326 VanDerWaalsContact SG-CB 3.58Å; C222-T326 PolarHBondContact SG-OG1 2.98Å; C222-T326 VanDerWaalsContact SG-OG1 3.35Å; R225-T326 PolarHBondContact O-N 3.03Å; I226-T326 CarbonylContact C-O 3.47Å; I226-T326 WeakPolarHBondContact CA-O 3.08Å; I227-T326 PolarHBondContact N-O 3.15Å; E324-T326 PolarHBondContact O-N 3.01Å; T326-V328 HydrophobicContact CG2-CG2 4.34Å; T326-D354 CarbonylContact C-O 3.42Å; T326-D354 WeakPolarHBondContact CA-O 3.32Å; T326-I356 HydrophobicContact CG2-CD1 3.65Å; T326-I356 HydrophobicContact CG2-CG1 3.97Å
327V97Very high89.3Confident0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-101.6125.2175-174.70000109.7I227 L308 I321 F329 L348 A353 D354 V355 I356I227-V327 HydrophobicContact CB-CG1 4.43Å; I227-V327 HydrophobicContact CB-CG2 4.11Å; I227-V327 HydrophobicContact CD1-CG2 4.11Å; I227-V327 HydrophobicContact CG2-CG1 4.41Å; I227-V327 CarbonylContact O-C 3.45Å; I227-V327 WeakPolarHBondContact O-CA 3.41Å; L308-V327 HydrophobicContact CD1-CG1 3.81Å; L308-V327 HydrophobicContact CD2-CG1 4.49Å; I321-V327 HydrophobicContact CD1-CG2 4.32Å; V327-F329 HydrophobicContact CG1-CD2 4.13Å; V327-F329 HydrophobicContact CG1-CE2 3.78Å; V327-L348 HydrophobicContact CB-CD1 4.14Å; V327-L348 HydrophobicContact CG1-CD1 3.74Å; V327-L348 HydrophobicContact CG2-CD1 4.12Å; V327-L348 HydrophobicContact CG2-CD2 3.93Å; V327-L348 HydrophobicContact CG2-CG 4.49Å; V327-A353 HydrophobicContact CG2-CB 3.93Å; V327-D354 PolarHBondContact N-O 3.22Å; V327-V355 CarbonylContact O-C 3.53Å; V327-V355 WeakPolarHBondContact O-CA 3.42Å; V327-I356 PolarHBondContact O-N 3.49Å
328V95.7Very high89.1Confident0 Ų046 Ų460%026%0.264CS..EExtended strand (participates in β ladder)trans-111.5117.6-179.6-1750000109.4I218 I226 I227 F228 A229 T326 S330 I356 I363I218-V328 HydrophobicContact CG2-CG2 3.98Å; I226-V328 HydrophobicContact CG2-CG2 4.2Å; I227-V328 PolarHBondContact O-N 2.76Å; F228-V328 HydrophobicContact CD2-CB 3.74Å; F228-V328 HydrophobicContact CD2-CG1 3.79Å; F228-V328 HydrophobicContact CD2-CG2 4.25Å; F228-V328 HydrophobicContact CE2-CB 4.17Å; F228-V328 HydrophobicContact CE2-CG1 3.67Å; F228-V328 HydrophobicContact CG-CB 4.44Å; A229-V328 PolarHBondContact N-O 3.24Å; T326-V328 HydrophobicContact CG2-CG2 4.34Å; V328-S330 PolarHBondContact O-N 2.89Å; V328-I356 HydrophobicContact CG2-CB 4.48Å; V328-I356 HydrophobicContact CG2-CD1 4.41Å; V328-I363 HydrophobicContact CG1-CD1 3.58Å
329F94.8Very high88.9Confident4 Ų448.4 Ų48.42%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-91.690.2170.3-74.8-102000109.3L308 V327 S331 I341 T344 I345 L348 V355 I356 H357 I363L308-F329 HydrophobicContact CD2-CD1 4.23Å; L308-F329 HydrophobicContact CD2-CE1 3.46Å; L308-F329 VanDerWaalsContact CD2-CE1 3.46Å; L308-F329 HydrophobicContact CD2-CE2 4.12Å; L308-F329 HydrophobicContact CD2-CZ 3.4Å; L308-F329 VanDerWaalsContact CD2-CZ 3.4Å; V327-F329 HydrophobicContact CG1-CD2 4.13Å; V327-F329 HydrophobicContact CG1-CE2 3.78Å; F329-S331 PolarHBondContact O-N 3.19Å; F329-I341 HydrophobicContact CE1-CG2 4.31Å; F329-T344 HydrophobicContact CZ-CG2 4.1Å; F329-I345 HydrophobicContact CD2-CG1 4.45Å; F329-I345 HydrophobicContact CE1-CG1 4.33Å; F329-I345 HydrophobicContact CE2-CG1 3.8Å; F329-I345 HydrophobicContact CZ-CG1 3.71Å; F329-L348 HydrophobicContact CE2-CD1 3.6Å; F329-L348 HydrophobicContact CZ-CD1 3.73Å; F329-V355 HydrophobicContact CD2-CG1 3.69Å; F329-V355 HydrophobicContact CE2-CG1 3.6Å; F329-I356 PolarHBondContact N-O 2.83Å; F329-H357 HydrophobicContact CB-CB 4.16Å; F329-I363 WeakPolarHBondContact O-CD1 3.43Å
330S93Very high88.6Confident0 Ų049.9 Ų49.90%028%0.283CS..  trans-85.346.1179-163.10000111.9F228 A229 R237 V328 I363F228-S330 VanDerWaalsContact CE1-CB 3.43Å; F228-S330 WeakPolarHBondContact CZ-OG 3.4Å; A229-S330 PolarHBondContact O-N 3.29Å; R237-S330 VanDerWaalsContact CD-OG 3.27Å; R237-S330 WeakPolarHBondContact CD-OG 3.33Å; R237-S330 PolarHBondContact NH1-O 3.41Å; R237-S330 VanDerWaalsContact NH1-O 3.09Å; R237-S330 PolarHBondContact NH1-OG 2.76Å; V328-S330 PolarHBondContact O-N 2.89Å; S330-I363 PolarHBondContact OG-O 3.37Å
331S88.6Confident88.4Confident4 Ų443.4 Ų43.43%0.02826%0.255CS..SBendtrans-142.1165.5-179.162.80000111.1S300 F329 S358 H364S300-S331 VanDerWaalsContact CB-OG 3.27Å; S300-S331 WeakPolarHBondContact CB-OG 3.42Å; S300-S331 PolarHBondContact O-OG 3.44Å; S300-S331 WeakPolarHBondContact OG-CB 3.45Å; S300-S331 PolarHBondContact OG-OG 3.49Å; F329-S331 PolarHBondContact O-N 3.19Å; S331-S358 WeakPolarHBondContact O-CB 3.47Å; S331-S358 PolarHBondContact O-OG 3.19Å; S331-S358 VanDerWaalsContact O-OG 3.13Å; S331-H364 WeakPolarHBondContact CA-ND1 3.46Å
332S82.3Confident88.2Confident45 Ų4546.2 Ų46.232%0.31527%0.27SS..PPolyproline II helixtrans-102.4149.2161.857.40000109.9Q301 I334 H364Q301-S332 PolarHBondContact NE2-O 3.48Å; S332-I334 PolarHBondContact O-N 3.33Å; S332-H364 WeakPolarHBondContact CB-NE2 3.4Å; S332-H364 PolarHBondContact OG-NE2 3.11Å; S332-H364 VanDerWaalsContact OG-NE2 3.07Å
333P82.1Confident88.2Confident62 Ų6251.3 Ų51.340%0.40329%0.287SS..PPolyproline II helixtrans-59.8122169.4-25.335.8000111.5I341P333-I341 HydrophobicContact CB-CD1 3.61Å; P333-I341 HydrophobicContact CG-CD1 3.87Å
334I77Confident88.5Confident67 Ų6747 Ų4734%0.34426%0.259SS..PPolyproline II helixtrans-68.7137.6164.1-62.7173.5000107.6F231 Q301 S332 G336 N337F231-I334 HydrophobicContact CE1-CD1 3.95Å; F231-I334 HydrophobicContact CZ-CD1 3.79Å; F231-I334 HydrophobicContact CZ-CG1 4.18Å; Q301-I334 HydrophobicContact CG-CD1 4.1Å; Q301-I334 HydrophobicContact CG-CG1 4.49Å; S332-I334 PolarHBondContact O-N 3.33Å; I334-G336 PolarHBondContact O-N 3.05Å; I334-N337 WeakPolarHBondContact O-CB 3.32Å; I334-N337 PolarHBondContact O-N 2.97Å
335P71.2Confident88.7Confident90 Ų9042 Ų4258%0.58424%0.236SC*.THydrogen-bonded Turntrans-47.4131.7173.4-29.136000112.2
336G74Confident88.7Confident51 Ų5147.2 Ų47.253%0.52626%0.263SS..THydrogen-bonded Turntrans95.9-35.4-172.500000114.1I334 T338I334-G336 PolarHBondContact O-N 3.05Å; G336-T338 PolarHBondContact O-N 3.07Å
337N82.4Confident88.6Confident50 Ų5048.3 Ų48.327%0.26727%0.272SS..THydrogen-bonded Turntrans-84.8-8.3-174.1-68.9-21.7000114.7Q301 I334 K339 S340 I341Q301-N337 HydrophobicContact CB-CB 4.25Å; I334-N337 WeakPolarHBondContact O-CB 3.32Å; I334-N337 PolarHBondContact O-N 2.97Å; N337-K339 PolarHBondContact O-N 3.03Å; N337-K339 VanDerWaalsContact O-N 3.1Å; N337-S340 WeakPolarHBondContact O-CB 3.5Å; N337-S340 PolarHBondContact O-N 2.74Å; N337-I341 HydrophobicContact CB-CD1 4.33Å; N337-I341 WeakPolarHBondContact O-CG1 3.38Å; N337-I341 PolarHBondContact O-N 3.37Å
338T86.2Confident88.6Confident68 Ų6848.3 Ų48.342%0.41727%0.272SS..Hα-helixtrans-51-40.7-177.3-52.80000112.9G336 N342G336-T338 PolarHBondContact O-N 3.07Å; T338-N342 WeakPolarHBondContact O-CB 3.34Å; T338-N342 PolarHBondContact O-N 3.28Å; T338-N342 PolarHBondContact O-ND2 3.26Å
339K88.3Confident88.6Confident134 Ų13453.7 Ų53.758%0.58329%0.293SS*.Hα-helixtrans-66.5-41.5179.8-169.5178-174.6178.10111.9N337 R343N337-K339 PolarHBondContact O-N 3.03Å; N337-K339 VanDerWaalsContact O-N 3.1Å; K339-R343 WeakPolarHBondContact O-CG 3.46Å; K339-R343 PolarHBondContact O-N 2.94Å
340S88.3Confident88.6Confident31 Ų3162.7 Ų62.722%0.21733%0.332CS..Hα-helixtrans-66.9-45.4178.4-61.90000111.2N337 N342 R343 T344N337-S340 WeakPolarHBondContact O-CB 3.5Å; N337-S340 PolarHBondContact O-N 2.74Å; S340-N342 PolarHBondContact O-N 3.4Å; S340-R343 WeakPolarHBondContact O-CB 3.35Å; S340-R343 PolarHBondContact O-N 2.87Å; S340-T344 PolarHBondContact O-N 2.78Å; S340-T344 PolarHBondContact O-OG1 3.38Å
341I91.6Very high88.7Confident9 Ų964.7 Ų64.75%0.04635%0.349CS..Hα-helixtrans-58.6-48.8175-63.9168.2000110.6Q301 F329 P333 N337 R343 T344 I345Q301-I341 WeakPolarHBondContact O-CG1 3.23Å; F329-I341 HydrophobicContact CE1-CG2 4.31Å; P333-I341 HydrophobicContact CB-CD1 3.61Å; P333-I341 HydrophobicContact CG-CD1 3.87Å; N337-I341 HydrophobicContact CB-CD1 4.33Å; N337-I341 WeakPolarHBondContact O-CG1 3.38Å; N337-I341 PolarHBondContact O-N 3.37Å; I341-R343 VanDerWaalsContact C-N 3.29Å; I341-R343 PolarHBondContact O-N 3.12Å; I341-T344 PolarHBondContact O-N 2.94Å; I341-T344 VanDerWaalsContact O-N 3.1Å; I341-I345 HydrophobicContact CG2-CD1 3.73Å; I341-I345 HydrophobicContact CG2-CG1 4.27Å; I341-I345 WeakPolarHBondContact O-CG1 3.36Å; I341-I345 PolarHBondContact O-N 3.39Å
342N93.4Very high88.9Confident82 Ų8266.4 Ų66.444%0.43937%0.367SS..Hα-helixtrans-61.1-37.1179.6-73.4-12.2000112.4T338 S340 N346T338-N342 WeakPolarHBondContact O-CB 3.34Å; T338-N342 PolarHBondContact O-N 3.28Å; T338-N342 PolarHBondContact O-ND2 3.26Å; S340-N342 PolarHBondContact O-N 3.4Å; N342-N346 WeakPolarHBondContact O-CB 3.47Å; N342-N346 VanDerWaalsContact O-CG 3.23Å; N342-N346 PolarHBondContact O-N 2.92Å; N342-N346 PolarHBondContact O-ND2 3.28Å; N342-N346 VanDerWaalsContact O-ND2 3.14Å
343R93.7Very high89.6Confident150 Ų15064.4 Ų64.457%0.56635%0.353SS*.Hα-helixtrans-62.3-46.1173.4-76.5173178169.2-3.9111.3K339 S340 I341 N346 S347K339-R343 WeakPolarHBondContact O-CG 3.46Å; K339-R343 PolarHBondContact O-N 2.94Å; S340-R343 WeakPolarHBondContact O-CB 3.35Å; S340-R343 PolarHBondContact O-N 2.87Å; I341-R343 VanDerWaalsContact C-N 3.29Å; I341-R343 PolarHBondContact O-N 3.12Å; R343-N346 PolarHBondContact O-N 3.36Å; R343-S347 PolarHBondContact O-N 3.48Å; R343-S347 PolarHBondContact O-OG 3.29Å
344T94.9Very high90.2Very high6 Ų666.4 Ų66.44%0.03736%0.36CS..Hα-helixtrans-62.3-46.2177.6-60.10000111.3L308 A312 F329 S340 I341 N346 S347 L348L308-T344 HydrophobicContact CD2-CG2 4.12Å; L308-T344 HydrophobicContact CG-CG2 4.11Å; A312-T344 HydrophobicContact CB-CG2 3.89Å; F329-T344 HydrophobicContact CZ-CG2 4.1Å; S340-T344 PolarHBondContact O-N 2.78Å; S340-T344 PolarHBondContact O-OG1 3.38Å; I341-T344 PolarHBondContact O-N 2.94Å; I341-T344 VanDerWaalsContact O-N 3.1Å; T344-N346 VanDerWaalsContact C-N 3.34Å; T344-N346 PolarHBondContact O-N 3.47Å; T344-S347 PolarHBondContact O-N 3.36Å; T344-L348 HydrophobicContact CG2-CD1 4.13Å; T344-L348 HydrophobicContact CG2-CG 4.48Å; T344-L348 VanDerWaalsContact O-CG 3.27Å; T344-L348 WeakPolarHBondContact O-CG 3.14Å; T344-L348 PolarHBondContact O-N 3.46Å
345I94.5Very high91.1Very high18 Ų1863.8 Ų63.89%0.09235%0.347CS..Hα-helixtrans-57.6-46.1175.8-68.7174.8000111.1F329 I341 S347 L348 Y349 V355F329-I345 HydrophobicContact CD2-CG1 4.45Å; F329-I345 HydrophobicContact CE1-CG1 4.33Å; F329-I345 HydrophobicContact CE2-CG1 3.8Å; F329-I345 HydrophobicContact CZ-CG1 3.71Å; I341-I345 HydrophobicContact CG2-CD1 3.73Å; I341-I345 HydrophobicContact CG2-CG1 4.27Å; I341-I345 WeakPolarHBondContact O-CG1 3.36Å; I341-I345 PolarHBondContact O-N 3.39Å; I345-S347 PolarHBondContact O-N 2.83Å; I345-L348 WeakPolarHBondContact O-CB 3.38Å; I345-L348 PolarHBondContact O-N 3.47Å; I345-Y349 HydrophobicContact CG2-CD2 3.62Å; I345-Y349 HydrophobicContact CG2-CE2 3.49Å; I345-Y349 VanDerWaalsContact CG2-CE2 3.49Å; I345-Y349 WeakPolarHBondContact O-CD2 3.29Å; I345-Y349 PolarHBondContact O-N 3.15Å; I345-V355 HydrophobicContact CG1-CG1 4.32Å; I345-V355 HydrophobicContact CG2-CG1 4.34Å
346N95.7Very high92.1Very high109 Ų10961.4 Ų61.458%0.58333%0.329SS*.Hα-helixtrans-61.3-43.1177-75.8-31.4000112.4N342 R343 T344 L348 Y349 K350N342-N346 WeakPolarHBondContact O-CB 3.47Å; N342-N346 VanDerWaalsContact O-CG 3.23Å; N342-N346 PolarHBondContact O-N 2.92Å; N342-N346 PolarHBondContact O-ND2 3.28Å; N342-N346 VanDerWaalsContact O-ND2 3.14Å; R343-N346 PolarHBondContact O-N 3.36Å; T344-N346 VanDerWaalsContact C-N 3.34Å; T344-N346 PolarHBondContact O-N 3.47Å; N346-L348 VanDerWaalsContact C-N 3.32Å; N346-L348 PolarHBondContact O-N 3.23Å; N346-Y349 PolarHBondContact O-N 2.92Å; N346-K350 VanDerWaalsContact O-CB 3.3Å; N346-K350 WeakPolarHBondContact O-CB 3.46Å; N346-K350 PolarHBondContact O-N 3.42Å
347S95.9Very high92.7Very high35 Ų3561.3 Ų61.325%0.24532%0.315CS..Hα-helixtrans-61.9-39.3175.6-70.50000112N313 R343 T344 I345 K350 A351N313-S347 PolarHBondContact OD1-OG 3.01Å; N313-S347 VanDerWaalsContact OD1-OG 3.1Å; R343-S347 PolarHBondContact O-N 3.48Å; R343-S347 PolarHBondContact O-OG 3.29Å; T344-S347 PolarHBondContact O-N 3.36Å; I345-S347 PolarHBondContact O-N 2.83Å; S347-K350 PolarHBondContact O-N 3.34Å; S347-A351 WeakPolarHBondContact O-CB 3.21Å; S347-A351 PolarHBondContact O-N 3.44Å
348L96.5Very high92.2Very high0 Ų060.1 Ų60.10%031%0.311CS..Hα-helixtrans-65.6-48.1177.5-69.7169.1000112.3A312 I321 V327 F329 T344 I345 N346 K350 A351 G352 A353 V355A312-L348 HydrophobicContact CB-CD2 3.54Å; A312-L348 HydrophobicContact CB-CG 3.71Å; I321-L348 HydrophobicContact CD1-CD2 3.67Å; I321-L348 HydrophobicContact CG1-CD2 3.84Å; V327-L348 HydrophobicContact CB-CD1 4.14Å; V327-L348 HydrophobicContact CG1-CD1 3.74Å; V327-L348 HydrophobicContact CG2-CD1 4.12Å; V327-L348 HydrophobicContact CG2-CD2 3.93Å; V327-L348 HydrophobicContact CG2-CG 4.49Å; F329-L348 HydrophobicContact CE2-CD1 3.6Å; F329-L348 HydrophobicContact CZ-CD1 3.73Å; T344-L348 HydrophobicContact CG2-CD1 4.13Å; T344-L348 HydrophobicContact CG2-CG 4.48Å; T344-L348 VanDerWaalsContact O-CG 3.27Å; T344-L348 WeakPolarHBondContact O-CG 3.14Å; T344-L348 PolarHBondContact O-N 3.46Å; I345-L348 WeakPolarHBondContact O-CB 3.38Å; I345-L348 PolarHBondContact O-N 3.47Å; N346-L348 VanDerWaalsContact C-N 3.32Å; N346-L348 PolarHBondContact O-N 3.23Å; L348-K350 VanDerWaalsContact C-N 3.31Å; L348-K350 PolarHBondContact O-N 3.19Å; L348-A351 CarbonylContact O-C 3.56Å; L348-A351 PolarHBondContact O-N 3.45Å; L348-A351 VanDerWaalsContact O-N 3.12Å; L348-G352 PolarHBondContact O-N 2.79Å; L348-A353 HydrophobicContact CB-CB 4.48Å; L348-A353 PolarHBondContact O-N 3.31Å; L348-A353 VanDerWaalsContact O-N 3.14Å; L348-V355 HydrophobicContact CB-CG2 3.81Å; L348-V355 HydrophobicContact CD1-CG2 4.33Å
349Y95.5Very high91.2Very high112 Ų11266.2 Ų66.244%0.43933%0.332SS..Hα-helixtrans-60-43.1174.6-82.9-59.9000111.6I345 N346 A351 G352 V355I345-Y349 HydrophobicContact CG2-CD2 3.62Å; I345-Y349 HydrophobicContact CG2-CE2 3.49Å; I345-Y349 VanDerWaalsContact CG2-CE2 3.49Å; I345-Y349 WeakPolarHBondContact O-CD2 3.29Å; I345-Y349 PolarHBondContact O-N 3.15Å; N346-Y349 PolarHBondContact O-N 2.92Å; Y349-A351 PolarHBondContact O-N 3.04Å; Y349-G352 PolarHBondContact O-N 3.25Å; Y349-V355 HydrophobicContact CD1-CG2 4.27Å; Y349-V355 HydrophobicContact CD2-CG2 4.2Å; Y349-V355 HydrophobicContact CE1-CB 4.19Å; Y349-V355 HydrophobicContact CE1-CG2 4.13Å; Y349-V355 HydrophobicContact CE2-CB 3.96Å; Y349-V355 HydrophobicContact CE2-CG2 4.05Å; Y349-V355 HydrophobicContact CG-CG2 4.31Å; Y349-V355 PolarHBondContact OH-O 2.92Å
350K95.3Very high90Very high194 Ų19466.1 Ų66.184%0.84334%0.336SS*.Hα-helixtrans-61.9-31.1176.8-172.9175.4-179.2179.50112.5N346 S347 L348 G352N346-K350 VanDerWaalsContact O-CB 3.3Å; N346-K350 WeakPolarHBondContact O-CB 3.46Å; N346-K350 PolarHBondContact O-N 3.42Å; S347-K350 PolarHBondContact O-N 3.34Å; L348-K350 VanDerWaalsContact C-N 3.31Å; L348-K350 PolarHBondContact O-N 3.19Å; K350-G352 VanDerWaalsContact C-N 3.29Å
351A94.7Very high89.2Confident42 Ų4266 Ų6635%0.34734%0.336SS..THydrogen-bonded Turntrans-82-4.6175.900000113.8I321 S347 L348 Y349I321-A351 HydrophobicContact CB-CB 3.73Å; I321-A351 HydrophobicContact CG1-CB 4.22Å; I321-A351 HydrophobicContact CG2-CB 3.63Å; I321-A351 WeakPolarHBondContact CG2-O 3.44Å; S347-A351 WeakPolarHBondContact O-CB 3.21Å; S347-A351 PolarHBondContact O-N 3.44Å; L348-A351 CarbonylContact O-C 3.56Å; L348-A351 PolarHBondContact O-N 3.45Å; L348-A351 VanDerWaalsContact O-N 3.12Å; Y349-A351 PolarHBondContact O-N 3.04Å
352G93.9Very high88.7Confident40 Ų4069.6 Ų69.641%0.41235%0.354SS..THydrogen-bonded Turntrans91.517.9174.800000115.4L348 Y349 K350L348-G352 PolarHBondContact O-N 2.79Å; Y349-G352 PolarHBondContact O-N 3.25Å; K350-G352 VanDerWaalsContact C-N 3.29Å
353A96.4Very high88.2Confident3 Ų365.7 Ų65.73%0.02533%0.334CS..  trans-84.4147.9172.600000111.9I321 D325 V327 L348I321-A353 HydrophobicContact CD1-CB 4.5Å; I321-A353 HydrophobicContact CG2-CB 3.77Å; D325-A353 HydrophobicContact CB-CB 4.2Å; D325-A353 WeakPolarHBondContact O-CA 3.5Å; V327-A353 HydrophobicContact CG2-CB 3.93Å; L348-A353 HydrophobicContact CB-CB 4.48Å; L348-A353 PolarHBondContact O-N 3.31Å; L348-A353 VanDerWaalsContact O-N 3.14Å
354D95Very high87.9Confident103 Ų10360.2 Ų60.255%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-80.6133.1163.2-71.4-35.6000109.2D325 T326 V327D325-D354 PolarHBondContact O-N 2.97Å; T326-D354 CarbonylContact C-O 3.42Å; T326-D354 WeakPolarHBondContact CA-O 3.32Å; V327-D354 PolarHBondContact N-O 3.22Å
355V94.7Very high87.6Confident12 Ų1260.3 Ų60.37%0.07332%0.315CS..EExtended strand (participates in β ladder)trans-118.3123.7-175.9-173.20000110.7V327 F329 I345 L348 Y349V327-V355 CarbonylContact O-C 3.53Å; V327-V355 WeakPolarHBondContact O-CA 3.42Å; F329-V355 HydrophobicContact CD2-CG1 3.69Å; F329-V355 HydrophobicContact CE2-CG1 3.6Å; I345-V355 HydrophobicContact CG1-CG1 4.32Å; I345-V355 HydrophobicContact CG2-CG1 4.34Å; L348-V355 HydrophobicContact CB-CG2 3.81Å; L348-V355 HydrophobicContact CD1-CG2 4.33Å; Y349-V355 HydrophobicContact CD1-CG2 4.27Å; Y349-V355 HydrophobicContact CD2-CG2 4.2Å; Y349-V355 HydrophobicContact CE1-CB 4.19Å; Y349-V355 HydrophobicContact CE1-CG2 4.13Å; Y349-V355 HydrophobicContact CE2-CB 3.96Å; Y349-V355 HydrophobicContact CE2-CG2 4.05Å; Y349-V355 HydrophobicContact CG-CG2 4.31Å; Y349-V355 PolarHBondContact OH-O 2.92Å
356I92.8Very high87.5Confident40 Ų4060.8 Ų60.821%0.20532%0.32CS..EExtended strand (participates in β ladder)trans-108.3123.7175-53.4179.3000108.5I218 T326 V327 V328 F329 S361 I363I218-I356 HydrophobicContact CD1-CD1 4.08Å; I218-I356 HydrophobicContact CD1-CG2 4.02Å; I218-I356 HydrophobicContact CG1-CD1 4.05Å; I218-I356 HydrophobicContact CG2-CD1 3.69Å; T326-I356 HydrophobicContact CG2-CD1 3.65Å; T326-I356 HydrophobicContact CG2-CG1 3.97Å; V327-I356 PolarHBondContact O-N 3.49Å; V328-I356 HydrophobicContact CG2-CB 4.48Å; V328-I356 HydrophobicContact CG2-CD1 4.41Å; F329-I356 PolarHBondContact N-O 2.83Å; I356-S361 WeakPolarHBondContact CG2-OG 3.44Å; I356-I363 HydrophobicContact CG2-CD1 3.92Å
357H87.7Confident87.4Confident49 Ų4955.9 Ų55.923%0.22730%0.295CS..EExtended strand (participates in β ladder)trans-135.7155.1179.360.767.9000112.6F329 K359 I360F329-H357 HydrophobicContact CB-CB 4.16Å; H357-K359 PolarHBondContact O-N 2.91Å; H357-K359 VanDerWaalsContact O-N 3.07Å; H357-I360 WeakPolarHBondContact CE1-CD1 3.4Å; H357-I360 PolarHBondContact O-N 3.43Å; H357-I360 VanDerWaalsContact O-N 3.07Å
358S71.8Confident87.4Confident26 Ų2655.5 Ų55.518%0.18229%0.29CS..Hα-helixtrans-45.6-42.9-163.744.80000117.1S331 I360 S361 N362S331-S358 WeakPolarHBondContact O-CB 3.47Å; S331-S358 PolarHBondContact O-OG 3.19Å; S331-S358 VanDerWaalsContact O-OG 3.13Å; S358-I360 PolarHBondContact O-N 2.88Å; S358-S361 PolarHBondContact O-N 2.8Å; S358-N362 PolarHBondContact O-N 2.83Å
359K65.4Low87.4Confident196 Ų19655.6 Ų55.685%0.85229%0.291SS*.Hα-helixtrans-58.1-19.2-179.6-80.2-170.6175.6-175.30115.3H357H357-K359 PolarHBondContact O-N 2.91Å; H357-K359 VanDerWaalsContact O-N 3.07Å
360I63Low87.5Confident131 Ų13150.5 Ų50.567%0.67227%0.271SS*.Hα-helixtrans-105.1-24.9-171.9-58.3174.6000112H357 S358H357-I360 WeakPolarHBondContact CE1-CD1 3.4Å; H357-I360 PolarHBondContact O-N 3.43Å; H357-I360 VanDerWaalsContact O-N 3.07Å; S358-I360 PolarHBondContact O-N 2.88Å
361S70.2Confident87.6Confident30 Ų3043.9 Ų43.921%0.2124%0.243CC..Hα-helixtrans-137.76.6-159.255.90000116.8I356 S358 I363I356-S361 WeakPolarHBondContact CG2-OG 3.44Å; S358-S361 PolarHBondContact O-N 2.8Å; S361-I363 PolarHBondContact O-N 3.5Å; S361-I363 VanDerWaalsContact O-N 3.11Å; S361-I363 WeakPolarHBondContact OG-CG1 3.42Å; S361-I363 WeakPolarHBondContact OG-CG2 3.18Å
362N81.7Confident87.8Confident83 Ų8342.2 Ų42.244%0.44423%0.23SC..  trans48.340.3-179-68-2.2000113L206 N214 S358 H364L206-N362 HydrophobicContact CD2-CB 4.4Å; N214-N362 WeakPolarHBondContact ND2-CB 3.29Å; N214-N362 PolarHBondContact ND2-O 3.07Å; S358-N362 PolarHBondContact O-N 2.83Å; N362-H364 VanDerWaalsContact C-N 3.28Å
363I82.9Confident88Confident0 Ų040.3 Ų40.30%021%0.21CC..  trans-91.611.217957.9168.2000113.3V211 I218 R237 V328 F329 S330 I356 S361V211-I363 WeakPolarHBondContact CG1-O 3.46Å; I218-I363 HydrophobicContact CD1-CG2 3.27Å; R237-I363 PolarHBondContact NH1-O 3.25Å; V328-I363 HydrophobicContact CG1-CD1 3.58Å; F329-I363 WeakPolarHBondContact O-CD1 3.43Å; S330-I363 PolarHBondContact OG-O 3.37Å; I356-I363 HydrophobicContact CG2-CD1 3.92Å; S361-I363 PolarHBondContact O-N 3.5Å; S361-I363 VanDerWaalsContact O-N 3.11Å; S361-I363 WeakPolarHBondContact OG-CG1 3.42Å; S361-I363 WeakPolarHBondContact OG-CG2 3.18Å
364H86.7Confident88.1Confident35 Ų3540.1 Ų40.116%0.16221%0.209CC..  trans-153.3142.6179.1175.780.4000108S331 S332 N362S331-H364 WeakPolarHBondContact CA-ND1 3.46Å; S332-H364 WeakPolarHBondContact CB-NE2 3.4Å; S332-H364 PolarHBondContact OG-NE2 3.11Å; S332-H364 VanDerWaalsContact OG-NE2 3.07Å; N362-H364 VanDerWaalsContact C-N 3.28Å
365T90Very high88.3Confident8 Ų838.6 Ų38.65%0.04920%0.198CC..  trans-129.9155.4166-176.80000107.4K166 T205 L206 E208 V211K166-T365 VanDerWaalsContact NZ-CG2 3.26Å; T205-T365 VanDerWaalsContact CG2-OG1 3.3Å; T205-T365 WeakPolarHBondContact CG2-OG1 3.34Å; L206-T365 WeakPolarHBondContact CB-OG1 3.27Å; L206-T365 WeakPolarHBondContact O-CB 2.99Å; L206-T365 WeakPolarHBondContact O-CG2 2.98Å; L206-T365 PolarHBondContact O-OG1 2.66Å; E208-T365 HydrophobicContact CG-CG2 4.02Å; E208-T365 WeakPolarHBondContact OE1-CG2 3.17Å; V211-T365 HydrophobicContact CG2-CG2 3.8Å
366S91.2Very high88.5Confident28 Ų2840.2 Ų40.220%0.19621%0.207CC..  trans-67.2152.4175-165.20000110.8K166 N198 T205 H368K166-S366 WeakPolarHBondContact CD-O 3.35Å; K166-S366 PolarHBondContact NZ-O 3.12Å; N198-S366 WeakPolarHBondContact ND2-CB 3.44Å; N198-S366 PolarHBondContact ND2-OG 2.89Å; T205-S366 WeakPolarHBondContact CG2-O 3.36Å; S366-H368 VanDerWaalsContact C-N 3.32Å; S366-H368 PolarHBondContact OG-N 3.5Å
367G93.1Very high88.8Confident6 Ų638.3 Ų38.36%0.06220%0.197CC..SBendtrans-74.7-26.2164.500000112.2H142 F165 K166H142-G367 VanDerWaalsContact CE1-C 3.43Å; H142-G367 PolarHBondContact CE1-O 2.95Å; H142-G367 WeakPolarHBondContact ND1-CA 2.97Å; H142-G367 PolarHBondContact ND1-O 3.39Å; F165-G367 CarbonylContact C-O 3.59Å; K166-G367 WeakPolarHBondContact CG-O 3.35Å
368H95.9Very high89.3Confident28 Ų2836.2 Ų36.213%0.1319%0.187CC..SBendtrans-94.9143-171.6-48.5-84.1000111.3H142 D164 F165 D195 T197 N198 T205 S366 H390H142-H368 AromaticContact CE1-CE1 3.58Å; H142-H368 AromaticContact CE1-ND1 3.76Å; H142-H368 AromaticContact CE1-NE2 3.94Å; D164-H368 IonicContact OD2-CE1 2.81Å; D164-H368 PolarHBondContact OD2-CE1 2.84Å; D164-H368 IonicContact OD2-ND1 3.55Å; F165-H368 CarbonylContact O-C 3.29Å; F165-H368 WeakPolarHBondContact O-CA 3.45Å; D195-H368 IonicContact OD1-ND1 3.74Å; D195-H368 IonicContact OD2-CE1 3.22Å; D195-H368 IonicContact OD2-CG 3.87Å; D195-H368 IonicContact OD2-ND1 3.17Å; D195-H368 PolarHBondContact OD2-ND1 3.04Å; T197-H368 HydrophobicContact CG2-CB 4.22Å; N198-H368 HydrophobicContact CB-CB 4.18Å; N198-H368 PolarHBondContact ND2-O 3.35Å; T205-H368 PolarHBondContact OG1-O 2.79Å; S366-H368 VanDerWaalsContact C-N 3.32Å; S366-H368 PolarHBondContact OG-N 3.5Å; H368-H390 AromaticContact CE1-CE1 3.66Å; H368-H390 AromaticContact CE1-ND1 3.96Å
369G97.4Very high90.5Very high2 Ų242 Ų422%0.02121%0.205CC..  trans-70.8137.8178.800000111.8F165 N198 D373F165-G369 PolarHBondContact O-N 3.23Å; N198-G369 WeakPolarHBondContact CB-O 3.2Å; G369-D373 VanDerWaalsContact CA-CB 3.46Å
370S97.6Very high92.1Very high4 Ų434 Ų343%0.02817%0.171CC..  trans-79.5-176.7174.6-720000110.4V201 D203 T205 G372 D373 Q374V201-S370 WeakPolarHBondContact CG1-OG 3.35Å; V201-S370 WeakPolarHBondContact O-CB 3.2Å; D203-S370 WeakPolarHBondContact O-CB 3.28Å; T205-S370 PolarHBondContact OG1-N 3.44Å; T205-S370 PolarHBondContact OG1-OG 3.25Å; S370-G372 PolarHBondContact O-N 2.89Å; S370-D373 PolarHBondContact N-OD2 3.37Å; S370-D373 WeakPolarHBondContact O-CB 3.43Å; S370-D373 PolarHBondContact O-N 2.82Å; S370-Q374 WeakPolarHBondContact O-CG 3.4Å; S370-Q374 PolarHBondContact O-N 3.18Å
371Q97.9Very high93.8Very high55 Ų5527.7 Ų27.726%0.25714%0.139SC..Hα-helixtrans-55.2-38.1-177.3-163.318022.900112.9V201 D373 Q374 Q375 T402V201-Q371 PolarHBondContact O-N 3.17Å; Q371-D373 PolarHBondContact O-N 2.82Å; Q371-Q374 PolarHBondContact O-N 2.78Å; Q371-Q375 WeakPolarHBondContact O-CB 3.29Å; Q371-Q375 VanDerWaalsContact O-CG 3.24Å; Q371-Q375 WeakPolarHBondContact O-CG 3.43Å; Q371-Q375 PolarHBondContact O-N 2.8Å; Q371-T402 HydrophobicContact CG-CG2 4.1Å; Q371-T402 PolarHBondContact NE2-OG1 2.97Å
372G98Very high95.2Very high7 Ų731.9 Ų31.97%0.07215%0.153CC..Hα-helixtrans-64-39.317600000113.3D203 F204 S370 L376D203-G372 PolarHBondContact O-N 3.21Å; F204-G372 VanDerWaalsContact CE1-C 3.46Å; F204-G372 WeakPolarHBondContact CE1-O 3.4Å; F204-G372 VanDerWaalsContact CZ-C 3.5Å; F204-G372 VanDerWaalsContact CZ-O 3.25Å; F204-G372 WeakPolarHBondContact CZ-O 3.31Å; S370-G372 PolarHBondContact O-N 2.89Å; G372-L376 PolarHBondContact O-N 3.41Å; G372-L376 VanDerWaalsContact O-N 3.14Å
373D98.5Very high96Very high0 Ų028.3 Ų28.30%014%0.135CC..Hα-helixtrans-64.7-43.9175-60.4-92000111.3F167 F204 T205 G369 S370 Q371 L376 M377F167-D373 WeakPolarHBondContact CA-OD1 3.37Å; F167-D373 WeakPolarHBondContact CB-OD1 3.46Å; F167-D373 HydrophobicContact CD2-CB 4.03Å; F167-D373 WeakPolarHBondContact CD2-O 3.32Å; F167-D373 VanDerWaalsContact CE2-O 3.27Å; F167-D373 WeakPolarHBondContact CE2-O 3.3Å; F167-D373 PolarHBondContact N-OD1 2.84Å; F204-D373 HydrophobicContact CD1-CB 4.42Å; T205-D373 PolarHBondContact N-OD2 3.46Å; G369-D373 VanDerWaalsContact CA-CB 3.46Å; S370-D373 PolarHBondContact N-OD2 3.37Å; S370-D373 WeakPolarHBondContact O-CB 3.43Å; S370-D373 PolarHBondContact O-N 2.82Å; Q371-D373 PolarHBondContact O-N 2.82Å; D373-L376 PolarHBondContact O-N 2.61Å; D373-M377 PolarHBondContact O-N 3.31Å
374Q98.8Very high96.7Very high0 Ų032 Ų320%015%0.151CC..Hα-helixtrans-64-44.1179.1-71.1171.7-11.700111.9D195 S199 S370 Q371 L376 M377 L378 H399 T402D195-Q374 PolarHBondContact O-NE2 2.9Å; S199-Q374 VanDerWaalsContact CA-OE1 3.24Å; S199-Q374 VanDerWaalsContact CB-OE1 3.32Å; S370-Q374 WeakPolarHBondContact O-CG 3.4Å; S370-Q374 PolarHBondContact O-N 3.18Å; Q371-Q374 PolarHBondContact O-N 2.78Å; Q374-L376 VanDerWaalsContact C-N 3.31Å; Q374-L376 PolarHBondContact O-N 2.65Å; Q374-M377 PolarHBondContact O-N 3.21Å; Q374-L378 WeakPolarHBondContact O-CG 3.26Å; Q374-L378 PolarHBondContact O-N 2.78Å; Q374-H399 WeakPolarHBondContact CB-NE2 3.18Å; Q374-H399 WeakPolarHBondContact CG-NE2 3.37Å; Q374-H399 PolarHBondContact OE1-CD2 2.9Å; Q374-T402 HydrophobicContact CB-CG2 4.48Å
375Q98.7Very high97.3Very high70 Ų7030.7 Ų30.733%0.32715%0.145SC..Hα-helixtrans-58.5-42.7174.3-72.8173.4-15.700111.6Q371 L378 R379 T402Q371-Q375 WeakPolarHBondContact O-CB 3.29Å; Q371-Q375 VanDerWaalsContact O-CG 3.24Å; Q371-Q375 WeakPolarHBondContact O-CG 3.43Å; Q371-Q375 PolarHBondContact O-N 2.8Å; Q375-L378 PolarHBondContact O-N 2.85Å; Q375-R379 WeakPolarHBondContact O-CB 3.46Å; Q375-R379 VanDerWaalsContact O-CG 3.23Å; Q375-R379 WeakPolarHBondContact O-CG 3.4Å; Q375-R379 PolarHBondContact O-N 3.38Å; Q375-T402 HydrophobicContact CG-CG2 3.52Å
376L98.6Very high97.7Very high47 Ų4730.3 Ų30.325%0.24614%0.142CC..Hα-helixtrans-62.7-45176.1179.357.7000111.5F167 F169 F204 G372 D373 Q374 R379 L380F167-L376 HydrophobicContact CB-CD2 4.4Å; F167-L376 HydrophobicContact CD1-CD2 3.99Å; F167-L376 HydrophobicContact CD2-CB 4.1Å; F167-L376 HydrophobicContact CD2-CD2 3.73Å; F167-L376 HydrophobicContact CD2-CG 4.1Å; F167-L376 HydrophobicContact CE1-CD2 4.17Å; F167-L376 HydrophobicContact CE2-CB 3.88Å; F167-L376 HydrophobicContact CE2-CD2 3.9Å; F167-L376 HydrophobicContact CE2-CG 3.79Å; F167-L376 HydrophobicContact CG-CD2 3.77Å; F167-L376 HydrophobicContact CZ-CD2 4.12Å; F167-L376 HydrophobicContact CZ-CG 4.02Å; F169-L376 HydrophobicContact CE1-CD2 4.29Å; F169-L376 HydrophobicContact CZ-CD2 3.91Å; F204-L376 HydrophobicContact CE1-CD2 4.43Å; G372-L376 PolarHBondContact O-N 3.41Å; G372-L376 VanDerWaalsContact O-N 3.14Å; D373-L376 PolarHBondContact O-N 2.61Å; Q374-L376 VanDerWaalsContact C-N 3.31Å; Q374-L376 PolarHBondContact O-N 2.65Å; L376-R379 PolarHBondContact O-N 2.85Å; L376-L380 HydrophobicContact CD1-CD1 3.91Å; L376-L380 HydrophobicContact CD1-CG 4.01Å; L376-L380 HydrophobicContact CG-CD1 3.86Å; L376-L380 HydrophobicContact CG-CG 4.42Å; L376-L380 WeakPolarHBondContact O-CB 3.43Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.37Å; L376-L380 PolarHBondContact O-N 3.1Å
377M98.8Very high98.1Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-58.5-50.2176.4-176.862.674.900111.4T162 F165 F167 M181 L192 D373 Q374 R379 L380 I381T162-M377 HydrophobicContact CG2-CE 3.97Å; T162-M377 HydrophobicContact CG2-CG 3.93Å; T162-M377 HydrophobicContact CG2-SD 4.02Å; F165-M377 HydrophobicContact CD1-CE 4.29Å; F165-M377 HydrophobicContact CD2-CE 3.52Å; F165-M377 HydrophobicContact CE1-CE 4.28Å; F165-M377 HydrophobicContact CE2-CB 3.84Å; F165-M377 HydrophobicContact CE2-CE 3.52Å; F165-M377 HydrophobicContact CE2-CG 4.24Å; F165-M377 HydrophobicContact CG-CE 3.93Å; F165-M377 HydrophobicContact CZ-CB 3.73Å; F165-M377 HydrophobicContact CZ-CE 3.91Å; F165-M377 HydrophobicContact CZ-CG 3.92Å; F167-M377 HydrophobicContact CE2-CB 4.04Å; F167-M377 HydrophobicContact CE2-CE 4.27Å; F167-M377 HydrophobicContact CZ-CB 4.44Å; F167-M377 HydrophobicContact CZ-CE 3.94Å; M181-M377 HydrophobicContact CE-CE 4.3Å; M181-M377 HydrophobicContact SD-CE 4.07Å; M181-M377 HydrophobicContact SD-SD 4.32Å; L192-M377 HydrophobicContact CD2-CG 4.4Å; D373-M377 PolarHBondContact O-N 3.31Å; Q374-M377 PolarHBondContact O-N 3.21Å; M377-R379 VanDerWaalsContact C-N 3.31Å; M377-R379 PolarHBondContact O-N 2.97Å; M377-L380 PolarHBondContact O-N 3.46Å; M377-I381 HydrophobicContact CG-CG1 4.25Å; M377-I381 WeakPolarHBondContact O-CB 3.48Å; M377-I381 VanDerWaalsContact O-CG1 3.3Å; M377-I381 WeakPolarHBondContact O-CG1 3.44Å; M377-I381 PolarHBondContact O-N 3.17Å; M377-I381 HydrophobicContact SD-CD1 4.24Å; M377-I381 HydrophobicContact SD-CG1 3.63Å
378L98.8Very high98.3Very high4 Ų428.9 Ų28.92%0.02113%0.131CC..Hα-helixtrans-58.7-41.1179.1-76.6158.9000112.2L192 Q374 Q375 K382 P383 F386 T402 C406 V408L192-L378 HydrophobicContact CD2-CD2 4.16Å; Q374-L378 WeakPolarHBondContact O-CG 3.26Å; Q374-L378 PolarHBondContact O-N 2.78Å; Q375-L378 PolarHBondContact O-N 2.85Å; L378-K382 PolarHBondContact O-N 3.49Å; L378-P383 HydrophobicContact CD2-CG 4.31Å; L378-F386 HydrophobicContact CD2-CD1 4.35Å; L378-F386 HydrophobicContact CD2-CD2 3.99Å; L378-F386 HydrophobicContact CD2-CE1 4.2Å; L378-F386 HydrophobicContact CD2-CE2 3.85Å; L378-F386 HydrophobicContact CD2-CG 4.26Å; L378-F386 HydrophobicContact CD2-CZ 3.96Å; L378-T402 HydrophobicContact CD1-CG2 4Å; L378-C406 HydrophobicContact CB-CB 3.79Å; L378-C406 HydrophobicContact CD1-CB 4.16Å; L378-V408 HydrophobicContact CD2-CG2 4.37Å
379R98.3Very high98.5Very high149 Ų14927.5 Ų27.556%0.56213%0.125SC*.Hα-helixtrans-73.9-27.9179.4-69.4-68.2-173.1174.2-2.1113.9Q375 L376 M377 K382 E405 C406Q375-R379 WeakPolarHBondContact O-CB 3.46Å; Q375-R379 VanDerWaalsContact O-CG 3.23Å; Q375-R379 WeakPolarHBondContact O-CG 3.4Å; Q375-R379 PolarHBondContact O-N 3.38Å; L376-R379 PolarHBondContact O-N 2.85Å; M377-R379 VanDerWaalsContact C-N 3.31Å; M377-R379 PolarHBondContact O-N 2.97Å; R379-K382 WeakPolarHBondContact O-CE 3.39Å; R379-K382 WeakPolarHBondContact O-CG 3.44Å; R379-E405 PolarHBondContact NH2-O 3.47Å; R379-C406 PolarHBondContact NE-O 3.21Å; R379-C406 PolarHBondContact NH1-O 2.94Å
380L98.5Very high98.5Very high26 Ų2627.4 Ų27.414%0.13612%0.124CC..Hα-helixtrans-74.9-45.9173.2-71.2167000111.2F167 I178 M181 A182 G185 L376 M377F167-L380 HydrophobicContact CE1-CD1 4.22Å; F167-L380 HydrophobicContact CZ-CD1 3.84Å; I178-L380 HydrophobicContact CG2-CD1 3.95Å; I178-L380 HydrophobicContact CG2-CD2 4.06Å; M181-L380 HydrophobicContact CB-CB 4.31Å; M181-L380 HydrophobicContact CB-CD1 4.29Å; M181-L380 HydrophobicContact SD-CD1 4.32Å; A182-L380 HydrophobicContact CB-CD2 3.86Å; G185-L380 WeakPolarHBondContact CA-O 3.33Å; L376-L380 HydrophobicContact CD1-CD1 3.91Å; L376-L380 HydrophobicContact CD1-CG 4.01Å; L376-L380 HydrophobicContact CG-CD1 3.86Å; L376-L380 HydrophobicContact CG-CG 4.42Å; L376-L380 WeakPolarHBondContact O-CB 3.43Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.37Å; L376-L380 PolarHBondContact O-N 3.1Å; M377-L380 PolarHBondContact O-N 3.46Å
381I98.5Very high98.5Very high0 Ų027.2 Ų27.20%012%0.122CC..Hα-helixtrans-81.9-31-172.3-62.3-61.4000112.9V160 M181 L184 G185 V189 L192 M377 P383V160-I381 HydrophobicContact CG1-CD1 4.48Å; M181-I381 HydrophobicContact CB-CD1 4.21Å; L184-I381 HydrophobicContact CD2-CD1 3.96Å; G185-I381 WeakPolarHBondContact CA-O 3.19Å; V189-I381 HydrophobicContact CB-CG2 3.94Å; V189-I381 HydrophobicContact CG1-CG2 3.81Å; V189-I381 HydrophobicContact CG2-CG2 3.9Å; L192-I381 HydrophobicContact CB-CG2 4.22Å; L192-I381 HydrophobicContact CD1-CG2 4.14Å; L192-I381 HydrophobicContact CD2-CB 4.18Å; L192-I381 HydrophobicContact CD2-CG1 4.47Å; L192-I381 HydrophobicContact CD2-CG2 4.02Å; L192-I381 HydrophobicContact CG-CG2 4.35Å; M377-I381 HydrophobicContact CG-CG1 4.25Å; M377-I381 WeakPolarHBondContact O-CB 3.48Å; M377-I381 VanDerWaalsContact O-CG1 3.3Å; M377-I381 WeakPolarHBondContact O-CG1 3.44Å; M377-I381 PolarHBondContact O-N 3.17Å; M377-I381 HydrophobicContact SD-CD1 4.24Å; M377-I381 HydrophobicContact SD-CG1 3.63Å; I381-P383 HydrophobicContact CG2-CB 4.28Å
382K98.2Very high98.4Very high117 Ų11727.7 Ų27.751%0.50913%0.125SC..  trans47.154.7179.5-55.7174.4-175.2171.70113.1E186 L378 R379E186-K382 IonicContact OE1-NZ 3.76Å; E186-K382 PolarHBondContact OE1-NZ 3.14Å; L378-K382 PolarHBondContact O-N 3.49Å; R379-K382 WeakPolarHBondContact O-CE 3.39Å; R379-K382 WeakPolarHBondContact O-CG 3.44Å
383P98.6Very high98.4Very high9 Ų934 Ų346%0.05815%0.147CC..EExtended strand (participates in β ladder)trans-72.1143.8-172.933-37000112.1V189 L192 L378 I381 Y385 V408V189-P383 HydrophobicContact CG1-CB 4.19Å; L192-P383 HydrophobicContact CB-CB 3.54Å; L192-P383 HydrophobicContact CB-CG 3.76Å; L192-P383 HydrophobicContact CD2-CG 4.03Å; L378-P383 HydrophobicContact CD2-CG 4.31Å; I381-P383 HydrophobicContact CG2-CB 4.28Å; P383-Y385 WeakPolarHBondContact CB-O 3.19Å; P383-V408 HydrophobicContact CG-CG2 4.13Å
384K98.5Very high98.4Very high78 Ų7840.6 Ų40.634%0.33917%0.172SC..EExtended strand (participates in β ladder)trans-68.2-43.2171.9-175.7173.1-177.5170.70111.8V189 N412 H426 D427V189-K384 PolarHBondContact O-N 3.08Å; K384-N412 WeakPolarHBondContact O-CB 3.26Å; K384-N412 PolarHBondContact O-ND2 3.47Å; K384-H426 PolarHBondContact NZ-O 3.2Å; K384-D427 IonicContact NZ-OD1 3.17Å
385Y98.8Very high98.4Very high7 Ų741.2 Ų41.23%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-121.1146.5176.9-58-68000111.1L190 C191 L192 P383 N412 F414 L424 D427 S428 A429L190-Y385 HydrophobicContact CD1-CD2 3.76Å; L190-Y385 HydrophobicContact CD1-CE2 3.73Å; L190-Y385 HydrophobicContact CG-CD2 4.36Å; L190-Y385 WeakPolarHBondContact O-CB 3.25Å; L190-Y385 VanDerWaalsContact O-CD2 3.28Å; L190-Y385 WeakPolarHBondContact O-CD2 3.26Å; L190-Y385 PolarHBondContact O-N 3.49Å; C191-Y385 VanDerWaalsContact CA-O 3.27Å; C191-Y385 WeakPolarHBondContact CA-O 3.42Å; L192-Y385 PolarHBondContact N-O 2.95Å; P383-Y385 WeakPolarHBondContact CB-O 3.19Å; Y385-N412 WeakPolarHBondContact CA-O 3.5Å; Y385-N412 HydrophobicContact CD1-CB 3.65Å; Y385-N412 HydrophobicContact CE1-CB 4.14Å; Y385-N412 VanDerWaalsContact CE1-CG 3.49Å; Y385-N412 WeakPolarHBondContact CE1-OD1 3.21Å; Y385-F414 AromaticContact CD1-CE2 3.77Å; Y385-F414 HydrophobicContact CD1-CE2 3.77Å; Y385-F414 HydrophobicContact CD1-CZ 4.31Å; Y385-F414 HydrophobicContact CG-CE2 4.26Å; Y385-L424 HydrophobicContact CD2-CD2 3.55Å; Y385-L424 HydrophobicContact CE2-CD2 4.09Å; Y385-L424 HydrophobicContact CG-CD2 3.84Å; Y385-D427 PolarHBondContact OH-O 3.33Å; Y385-S428 VanDerWaalsContact OH-C 3.27Å; Y385-S428 VanDerWaalsContact OH-CA 3.23Å; Y385-S428 WeakPolarHBondContact OH-CA 3.34Å; Y385-S428 PolarHBondContact OH-N 3.49Å; Y385-A429 HydrophobicContact CD1-CB 3.52Å; Y385-A429 HydrophobicContact CD2-CB 4.28Å; Y385-A429 HydrophobicContact CE1-CB 3.27Å; Y385-A429 HydrophobicContact CE2-CB 4.07Å; Y385-A429 HydrophobicContact CG-CB 4.03Å
386F98.9Very high98.4Very high0 Ų038 Ų380%016%0.16CC..EExtended strand (participates in β ladder)trans-130.3128-176.6-174.9-130.1000111.9L192 L378 P388 H399 V408 N412 V413 F414L192-F386 HydrophobicContact CB-CD2 4.08Å; L192-F386 HydrophobicContact CD2-CD2 4.15Å; L192-F386 HydrophobicContact CD2-CE2 3.98Å; L192-F386 HydrophobicContact CG-CD2 4.15Å; L192-F386 HydrophobicContact CG-CE2 4.11Å; L192-F386 WeakPolarHBondContact O-CD2 3.41Å; L378-F386 HydrophobicContact CD2-CD1 4.35Å; L378-F386 HydrophobicContact CD2-CD2 3.99Å; L378-F386 HydrophobicContact CD2-CE1 4.2Å; L378-F386 HydrophobicContact CD2-CE2 3.85Å; L378-F386 HydrophobicContact CD2-CG 4.26Å; L378-F386 HydrophobicContact CD2-CZ 3.96Å; F386-P388 HydrophobicContact CD1-CG 4.01Å; F386-P388 HydrophobicContact CE1-CG 3.62Å; F386-P388 HydrophobicContact CZ-CG 4.09Å; F386-H399 WeakPolarHBondContact CE1-O 3.46Å; F386-H399 AromaticContact CZ-CD2 3.79Å; F386-H399 AromaticContact CZ-CE1 3.87Å; F386-H399 AromaticContact CZ-NE2 3.69Å; F386-V408 HydrophobicContact CB-CG1 3.99Å; F386-V408 HydrophobicContact CB-CG2 4.36Å; F386-N412 PolarHBondContact N-O 3.44Å; F386-V413 HydrophobicContact CB-CG2 4.4Å; F386-V413 HydrophobicContact CD1-CG1 4.21Å; F386-V413 HydrophobicContact CD1-CG2 4.46Å; F386-V413 WeakPolarHBondContact O-CA 3.39Å; F386-F414 PolarHBondContact O-N 3.27Å
387L98.8Very high98.4Very high3 Ų340 Ų402%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-122.996.7176.9-175.280.6000108.4V11 L192 L193 S194 I389 F414 F416 L422V11-L387 HydrophobicContact CG1-CD2 3.84Å; L192-L387 PolarHBondContact O-N 3.25Å; L193-L387 WeakPolarHBondContact CA-O 3.46Å; L193-L387 HydrophobicContact CD2-CD2 3.91Å; L193-L387 HydrophobicContact CG-CB 4.33Å; L193-L387 HydrophobicContact CG-CD2 3.92Å; S194-L387 PolarHBondContact N-O 3.15Å; L387-I389 HydrophobicContact CD2-CG2 4.15Å; L387-I389 HydrophobicContact CG-CG2 4.25Å; L387-I389 WeakPolarHBondContact O-CG2 3.31Å; L387-I389 PolarHBondContact O-N 2.97Å; L387-F414 HydrophobicContact CD1-CB 3.78Å; L387-F414 WeakPolarHBondContact CD1-O 3.27Å; L387-F416 HydrophobicContact CD1-CB 4Å; L387-F416 HydrophobicContact CD1-CD1 4.47Å; L387-F416 HydrophobicContact CD1-CD2 4.18Å; L387-F416 HydrophobicContact CD1-CG 3.96Å; L387-L422 HydrophobicContact CD1-CD2 4.46Å
388P98.9Very high98.4Very high0 Ų040.6 Ų40.60%017%0.172CC..EExtended strand (participates in β ladder)trans-56.1130.9170-26.136.8000110.6S196 F386 L396 H399 F414 I415S196-P388 WeakPolarHBondContact OG-CB 3.48Å; F386-P388 HydrophobicContact CD1-CG 4.01Å; F386-P388 HydrophobicContact CE1-CG 3.62Å; F386-P388 HydrophobicContact CZ-CG 4.09Å; P388-L396 HydrophobicContact CB-CB 4.12Å; P388-L396 HydrophobicContact CB-CD2 4.09Å; P388-H399 HydrophobicContact CB-CB 4.18Å; P388-H399 HydrophobicContact CG-CB 4.42Å; P388-F414 WeakPolarHBondContact CD-O 3.19Å; P388-I415 HydrophobicContact CB-CD1 4.37Å; P388-I415 HydrophobicContact CG-CD1 3.66Å
389I98.9Very high98.4Very high0 Ų040.4 Ų40.40%017%0.171CC..EExtended strand (participates in β ladder)trans-126.6174.817766.9162.4000111L17 Y25 H161 L193 S194 S196 L387L17-I389 HydrophobicContact CD2-CB 3.93Å; L17-I389 HydrophobicContact CD2-CG2 3.87Å; Y25-I389 HydrophobicContact CD1-CG2 4.32Å; Y25-I389 HydrophobicContact CD2-CD1 4.33Å; Y25-I389 HydrophobicContact CE1-CB 3.79Å; Y25-I389 HydrophobicContact CE1-CD1 4.19Å; Y25-I389 HydrophobicContact CE1-CG2 3.87Å; Y25-I389 HydrophobicContact CE2-CD1 3.78Å; H161-I389 WeakPolarHBondContact NE2-CD1 3.21Å; L193-I389 HydrophobicContact CB-CD1 3.93Å; L193-I389 HydrophobicContact CB-CG1 4.27Å; L193-I389 HydrophobicContact CB-CG2 3.87Å; L193-I389 HydrophobicContact CD2-CG2 4.04Å; L193-I389 HydrophobicContact CG-CG2 4.14Å; S194-I389 VanDerWaalsContact C-CG1 3.48Å; S194-I389 WeakPolarHBondContact O-CG1 3.23Å; S194-I389 PolarHBondContact O-N 2.67Å; S194-I389 VanDerWaalsContact O-O 3.13Å; S196-I389 WeakPolarHBondContact CB-O 3.16Å; S196-I389 PolarHBondContact N-O 3.11Å; S196-I389 PolarHBondContact OG-N 3.21Å; S196-I389 PolarHBondContact OG-O 2.89Å; L387-I389 HydrophobicContact CD2-CG2 4.15Å; L387-I389 HydrophobicContact CG-CG2 4.25Å; L387-I389 WeakPolarHBondContact O-CG2 3.31Å; L387-I389 PolarHBondContact O-N 2.97Å
390H98.3Very high98.4Very high0 Ų033.5 Ų33.50%015%0.146CC..SBendtrans49.878.6176.5-163.9-141.3000113.1G16 N23 Y25 D78 D164 D195 S196 T197 H368G16-H390 VanDerWaalsContact O-CA 3.26Å; G16-H390 WeakPolarHBondContact O-CA 3.4Å; G16-H390 PolarHBondContact O-N 3.42Å; G16-H390 VanDerWaalsContact O-N 3.08Å; N23-H390 VanDerWaalsContact CG-CD2 3.4Å; N23-H390 PolarHBondContact ND2-CD2 2.71Å; N23-H390 PolarHBondContact ND2-NE2 2.88Å; N23-H390 PolarHBondContact OD1-CD2 3.33Å; Y25-H390 PolarHBondContact OH-N 3.34Å; D78-H390 IonicContact OD2-CE1 3.94Å; D78-H390 IonicContact OD2-NE2 3.07Å; D78-H390 PolarHBondContact OD2-NE2 3.1Å; D164-H390 IonicContact OD1-CE1 2.78Å; D164-H390 IonicContact OD1-CG 2.79Å; D164-H390 IonicContact OD1-ND1 3.94Å; D164-H390 PolarHBondContact OD1-ND1 3.01Å; D164-H390 IonicContact OD2-CE1 3.48Å; D164-H390 PolarHBondContact OD2-CE1 3.12Å; D164-H390 IonicContact OD2-ND1 3.38Å; D164-H390 PolarHBondContact OD2-ND1 2.88Å; D195-H390 IonicContact OD1-CG 2.75Å; D195-H390 IonicContact OD1-ND1 3.73Å; D195-H390 PolarHBondContact OD1-ND1 2.92Å; S196-H390 CarbonylContact C-O 3.54Å; S196-H390 PolarHBondContact N-O 3.34Å; T197-H390 PolarHBondContact N-O 3.34Å; T197-H390 VanDerWaalsContact N-O 3.1Å; T197-H390 PolarHBondContact OG1-ND1 2.87Å; T197-H390 VanDerWaalsContact OG1-ND1 3.11Å; T197-H390 PolarHBondContact OG1-O 3.06Å; H368-H390 AromaticContact CE1-CE1 3.66Å; H368-H390 AromaticContact CE1-ND1 3.96Å
391G97.3Very high98.4Very high0 Ų036.7 Ų36.70%016%0.16CC..BIsolated β-bridgetrans167.8158.2179.700000114.3G18 E19G18-G391 CarbonylContact C-O 3.51Å; G18-G391 VanDerWaalsContact CA-O 3.31Å; G18-G391 WeakPolarHBondContact CA-O 3.3Å; G18-G391 PolarHBondContact N-O 3.39Å; E19-G391 PolarHBondContact N-O 3.4Å; E19-G391 CarbonylContact O-C 3.37Å; E19-G391 VanDerWaalsContact O-C 3.3Å; E19-G391 WeakPolarHBondContact O-CA 3.34Å; E19-G391 PolarHBondContact O-N 2.89Å; E19-G391 VanDerWaalsContact O-N 3.13Å
392E96.6Very high98.4Very high65 Ų6536.8 Ų36.830%0.30416%0.16SC..  trans-63.6160.2168.5-63.1179156.700111.1R394 M395 L396E392-R394 HydrophobicContact CB-CG 4.29Å; E392-R394 PolarHBondContact O-N 2.82Å; E392-R394 IonicContact OE2-CZ 3.24Å; E392-R394 VanDerWaalsContact OE2-CZ 3.25Å; E392-R394 IonicContact OE2-NE 2.67Å; E392-R394 PolarHBondContact OE2-NE 3.04Å; E392-R394 IonicContact OE2-NH2 2.95Å; E392-R394 PolarHBondContact OE2-NH2 3.21Å; E392-M395 HydrophobicContact CB-CE 4.26Å; E392-M395 HydrophobicContact CB-CG 4.36Å; E392-M395 HydrophobicContact CB-SD 3.95Å; E392-M395 HydrophobicContact CG-CE 4.1Å; E392-M395 HydrophobicContact CG-SD 4.17Å; E392-M395 PolarHBondContact N-SD 3.44Å; E392-M395 WeakPolarHBondContact O-CA 3.47Å; E392-M395 VanDerWaalsContact O-CB 3.26Å; E392-M395 WeakPolarHBondContact O-CB 3.38Å; E392-M395 PolarHBondContact O-N 3.16Å; E392-L396 PolarHBondContact O-N 2.92Å
393Y98.3Very high98.5Very high140 Ų14031.2 Ų31.255%0.54914%0.136SC..Hα-helixtrans-50.4-42.2-177.1-172-87.9000113.9M395 L396 K397 I415Y393-M395 VanDerWaalsContact C-N 3.27Å; Y393-M395 PolarHBondContact O-N 3.44Å; Y393-L396 PolarHBondContact O-N 2.88Å; Y393-K397 HydrophobicContact CE1-CB 4.42Å; Y393-K397 WeakPolarHBondContact O-CB 3.12Å; Y393-K397 PolarHBondContact O-N 2.89Å; Y393-I415 HydrophobicContact CD2-CG2 4.22Å; Y393-I415 HydrophobicContact CE2-CG2 3.78Å
394R98.2Very high98.5Very high137 Ų13733.5 Ų33.552%0.51715%0.15SC..Hα-helixtrans-60.6-34.9176.364.4179.2172.6153.5-0.3113.2L200 E392 A398L200-R394 HydrophobicContact CD1-CB 4.37Å; L200-R394 HydrophobicContact CD1-CG 3.91Å; E392-R394 HydrophobicContact CB-CG 4.29Å; E392-R394 PolarHBondContact O-N 2.82Å; E392-R394 IonicContact OE2-CZ 3.24Å; E392-R394 VanDerWaalsContact OE2-CZ 3.25Å; E392-R394 IonicContact OE2-NE 2.67Å; E392-R394 PolarHBondContact OE2-NE 3.04Å; E392-R394 IonicContact OE2-NH2 2.95Å; E392-R394 PolarHBondContact OE2-NH2 3.21Å; R394-A398 WeakPolarHBondContact O-CB 3.21Å; R394-A398 PolarHBondContact O-N 3.37Å; R394-A398 VanDerWaalsContact O-N 3.15Å
395M98.4Very high98.4Very high14 Ų1435.4 Ų35.47%0.06916%0.16CC..Hα-helixtrans-74-46.5179.7-61.8164.4-176.100109.6I20 S196 S199 E392 Y393 K397 A398 H399I20-M395 HydrophobicContact CD1-CE 3.95Å; I20-M395 HydrophobicContact CD1-SD 4.07Å; I20-M395 HydrophobicContact CG1-SD 4.33Å; S196-M395 WeakPolarHBondContact O-CB 3.36Å; S199-M395 VanDerWaalsContact OG-C 3.32Å; S199-M395 VanDerWaalsContact OG-CA 3.23Å; S199-M395 WeakPolarHBondContact OG-CA 3.17Å; S199-M395 PolarHBondContact OG-O 3.42Å; E392-M395 HydrophobicContact CB-CE 4.26Å; E392-M395 HydrophobicContact CB-CG 4.36Å; E392-M395 HydrophobicContact CB-SD 3.95Å; E392-M395 HydrophobicContact CG-CE 4.1Å; E392-M395 HydrophobicContact CG-SD 4.17Å; E392-M395 PolarHBondContact N-SD 3.44Å; E392-M395 WeakPolarHBondContact O-CA 3.47Å; E392-M395 VanDerWaalsContact O-CB 3.26Å; E392-M395 WeakPolarHBondContact O-CB 3.38Å; E392-M395 PolarHBondContact O-N 3.16Å; Y393-M395 VanDerWaalsContact C-N 3.27Å; Y393-M395 PolarHBondContact O-N 3.44Å; M395-K397 VanDerWaalsContact C-N 3.33Å; M395-K397 PolarHBondContact O-N 2.96Å; M395-A398 PolarHBondContact O-N 3.21Å; M395-H399 WeakPolarHBondContact O-CB 3.38Å; M395-H399 PolarHBondContact O-N 3.33Å
396L98.7Very high98.4Very high1 Ų135.8 Ų35.81%0.00516%0.163CC..Hα-helixtrans-58.6-46176.1-56.2-174.4000111L17 P388 E392 Y393 H399 G400 I415L17-L396 HydrophobicContact CB-CD1 4.45Å; L17-L396 HydrophobicContact CD2-CD1 4.44Å; P388-L396 HydrophobicContact CB-CB 4.12Å; P388-L396 HydrophobicContact CB-CD2 4.09Å; E392-L396 PolarHBondContact O-N 2.92Å; Y393-L396 PolarHBondContact O-N 2.88Å; L396-H399 PolarHBondContact O-N 2.75Å; L396-G400 PolarHBondContact O-N 3.37Å; L396-I415 HydrophobicContact CB-CD1 4.49Å; L396-I415 HydrophobicContact CB-CG2 4.03Å; L396-I415 WeakPolarHBondContact O-CD1 3.1Å
397K98.6Very high98.3Very high90 Ų9038.4 Ų38.439%0.39119%0.191SC..Hα-helixtrans-61.7-49.4179.5-179.856.4176.9160.40112.2Y393 M395 H399 G400 E401Y393-K397 HydrophobicContact CE1-CB 4.42Å; Y393-K397 WeakPolarHBondContact O-CB 3.12Å; Y393-K397 PolarHBondContact O-N 2.89Å; M395-K397 VanDerWaalsContact C-N 3.33Å; M395-K397 PolarHBondContact O-N 2.96Å; K397-H399 VanDerWaalsContact C-N 3.3Å; K397-H399 PolarHBondContact O-N 2.95Å; K397-G400 PolarHBondContact O-N 3.08Å; K397-E401 WeakPolarHBondContact CE-OE1 3.47Å; K397-E401 IonicContact NZ-OE1 3.92Å; K397-E401 WeakPolarHBondContact O-CG 3.44Å; K397-E401 PolarHBondContact O-N 2.92Å
398A98.7Very high98.3Very high12 Ų1238.8 Ų38.810%0.09919%0.193CC..Hα-helixtrans-63.4-36.1178.200000112.6L200 R394 M395 E401 T402L200-A398 HydrophobicContact CD2-CB 3.62Å; L200-A398 HydrophobicContact CG-CB 4.27Å; R394-A398 WeakPolarHBondContact O-CB 3.21Å; R394-A398 PolarHBondContact O-N 3.37Å; R394-A398 VanDerWaalsContact O-N 3.15Å; M395-A398 PolarHBondContact O-N 3.21Å; A398-E401 PolarHBondContact O-N 2.85Å; A398-T402 PolarHBondContact O-N 3.33Å; A398-T402 PolarHBondContact O-OG1 3.38Å
399H98.8Very high98.3Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-69.3-39.2175.6-161.6-178.8000111.2S194 D195 S196 Q374 F386 P388 M395 L396 K397 E401 T402 G403S194-H399 PolarHBondContact OG-CE1 2.91Å; D195-H399 PolarHBondContact O-CE1 2.62Å; D195-H399 PolarHBondContact O-ND1 3.3Å; S196-H399 WeakPolarHBondContact CA-ND1 3.41Å; S196-H399 WeakPolarHBondContact CB-ND1 3.37Å; S196-H399 PolarHBondContact OG-ND1 2.81Å; Q374-H399 WeakPolarHBondContact CB-NE2 3.18Å; Q374-H399 WeakPolarHBondContact CG-NE2 3.37Å; Q374-H399 PolarHBondContact OE1-CD2 2.9Å; F386-H399 WeakPolarHBondContact CE1-O 3.46Å; F386-H399 AromaticContact CZ-CD2 3.79Å; F386-H399 AromaticContact CZ-CE1 3.87Å; F386-H399 AromaticContact CZ-NE2 3.69Å; P388-H399 HydrophobicContact CB-CB 4.18Å; P388-H399 HydrophobicContact CG-CB 4.42Å; M395-H399 WeakPolarHBondContact O-CB 3.38Å; M395-H399 PolarHBondContact O-N 3.33Å; L396-H399 PolarHBondContact O-N 2.75Å; K397-H399 VanDerWaalsContact C-N 3.3Å; K397-H399 PolarHBondContact O-N 2.95Å; H399-E401 VanDerWaalsContact C-N 3.34Å; H399-E401 PolarHBondContact O-N 3.29Å; H399-T402 WeakPolarHBondContact O-CB 3.26Å; H399-T402 PolarHBondContact O-N 2.98Å; H399-G403 PolarHBondContact O-N 2.93Å
400G98.7Very high98.2Very high4 Ų452.1 Ų52.14%0.04126%0.256CS..Hα-helixtrans-58-43.6171.900000112.9L396 K397 T402 G403 V404L396-G400 PolarHBondContact O-N 3.37Å; K397-G400 PolarHBondContact O-N 3.08Å; G400-T402 VanDerWaalsContact C-N 3.35Å; G400-G403 WeakPolarHBondContact O-CA 3.46Å; G400-G403 PolarHBondContact O-N 3.48Å; G400-G403 VanDerWaalsContact O-N 3.09Å; G400-V404 PolarHBondContact O-N 3.46Å; G400-V404 VanDerWaalsContact O-N 3.09Å
401E98.6Very high98.2Very high94 Ų9459.1 Ų59.144%0.43929%0.293SS..Hα-helixtrans-60.8-43173.6-70.6165.517900111.6K397 A398 H399 G403 V404 E405K397-E401 WeakPolarHBondContact CE-OE1 3.47Å; K397-E401 IonicContact NZ-OE1 3.92Å; K397-E401 WeakPolarHBondContact O-CG 3.44Å; K397-E401 PolarHBondContact O-N 2.92Å; A398-E401 PolarHBondContact O-N 2.85Å; H399-E401 VanDerWaalsContact C-N 3.34Å; H399-E401 PolarHBondContact O-N 3.29Å; E401-G403 PolarHBondContact O-N 2.83Å; E401-V404 PolarHBondContact O-N 3.1Å; E401-V404 VanDerWaalsContact O-N 3.11Å; E401-E405 WeakPolarHBondContact O-CG 3.33Å; E401-E405 PolarHBondContact O-N 3.34Å
402T98.6Very high98.3Very high1 Ų160.8 Ų60.81%0.00630%0.302CS..Hα-helixtrans-60.4-35.2173.1-57.60000111.9Q371 Q374 Q375 L378 A398 H399 G400 E405 C406Q371-T402 HydrophobicContact CG-CG2 4.1Å; Q371-T402 PolarHBondContact NE2-OG1 2.97Å; Q374-T402 HydrophobicContact CB-CG2 4.48Å; Q375-T402 HydrophobicContact CG-CG2 3.52Å; L378-T402 HydrophobicContact CD1-CG2 4Å; A398-T402 PolarHBondContact O-N 3.33Å; A398-T402 PolarHBondContact O-OG1 3.38Å; H399-T402 WeakPolarHBondContact O-CB 3.26Å; H399-T402 PolarHBondContact O-N 2.98Å; G400-T402 VanDerWaalsContact C-N 3.35Å; T402-E405 PolarHBondContact O-N 3.33Å; T402-C406 WeakPolarHBondContact O-CB 3.37Å; T402-C406 PolarHBondContact O-N 3.01Å; T402-C406 PolarHBondContact O-SG 3.28Å
403G98.7Very high98.4Very high0 Ų058.9 Ų58.90%030%0.295CS..Hα-helixtrans-58.6-48.2171.200000112.8H399 G400 E401 C406 G407 V408H399-G403 PolarHBondContact O-N 2.93Å; G400-G403 WeakPolarHBondContact O-CA 3.46Å; G400-G403 PolarHBondContact O-N 3.48Å; G400-G403 VanDerWaalsContact O-N 3.09Å; E401-G403 PolarHBondContact O-N 2.83Å; G403-C406 CarbonylContact O-C 3.52Å; G403-C406 PolarHBondContact O-N 3.49Å; G403-C406 VanDerWaalsContact O-N 3.15Å; G403-G407 PolarHBondContact O-N 2.96Å; G403-V408 WeakPolarHBondContact O-CB 3.38Å; G403-V408 PolarHBondContact O-N 3.47Å
404V98.7Very high98.4Very high57 Ų5753.4 Ų53.435%0.34527%0.274SS..Hα-helixtrans-62.8-45.7176.9179.70000111.3G400 E401 C406 G407 V408 E410 V413G400-V404 PolarHBondContact O-N 3.46Å; G400-V404 VanDerWaalsContact O-N 3.09Å; E401-V404 PolarHBondContact O-N 3.1Å; E401-V404 VanDerWaalsContact O-N 3.11Å; V404-C406 PolarHBondContact O-N 3.16Å; V404-G407 PolarHBondContact O-N 3.17Å; V404-V408 WeakPolarHBondContact CA-O 3.45Å; V404-E410 HydrophobicContact CG2-CB 4.33Å; V404-E410 HydrophobicContact CG2-CG 4.44Å; V404-V413 HydrophobicContact CG2-CG2 3.87Å
405E97.9Very high98.4Very high119 Ų11949 Ų4956%0.55626%0.26SS*.Hα-helixtrans-59.4-29.4175.1-69.3176.4177.900112.8R379 E401 T402 G407R379-E405 PolarHBondContact NH2-O 3.47Å; E401-E405 WeakPolarHBondContact O-CG 3.33Å; E401-E405 PolarHBondContact O-N 3.34Å; T402-E405 PolarHBondContact O-N 3.33Å; E405-G407 VanDerWaalsContact C-N 3.33Å
406C98.4Very high98.4Very high14 Ų1449 Ų4910%0.09526%0.259CS..THydrogen-bonded Turntrans-84.6-3176.2-69.50000114.4L378 R379 T402 G403 V404L378-C406 HydrophobicContact CB-CB 3.79Å; L378-C406 HydrophobicContact CD1-CB 4.16Å; R379-C406 PolarHBondContact NE-O 3.21Å; R379-C406 PolarHBondContact NH1-O 2.94Å; T402-C406 WeakPolarHBondContact O-CB 3.37Å; T402-C406 PolarHBondContact O-N 3.01Å; T402-C406 PolarHBondContact O-SG 3.28Å; G403-C406 CarbonylContact O-C 3.52Å; G403-C406 PolarHBondContact O-N 3.49Å; G403-C406 VanDerWaalsContact O-N 3.15Å; V404-C406 PolarHBondContact O-N 3.16Å
407G97.3Very high98.4Very high56 Ų5652.5 Ų52.558%0.57728%0.278SS*.THydrogen-bonded Turntrans101.713.2173.900000115.5G403 V404 E405G403-G407 PolarHBondContact O-N 2.96Å; V404-G407 PolarHBondContact O-N 3.17Å; E405-G407 VanDerWaalsContact C-N 3.33Å
408V98.5Very high98.3Very high10 Ų1049.5 Ų49.56%0.06127%0.266CS..  trans-74131165-1750000108L378 P383 F386 G403 V404 N412 V413L378-V408 HydrophobicContact CD2-CG2 4.37Å; P383-V408 HydrophobicContact CG-CG2 4.13Å; F386-V408 HydrophobicContact CB-CG1 3.99Å; F386-V408 HydrophobicContact CB-CG2 4.36Å; G403-V408 WeakPolarHBondContact O-CB 3.38Å; G403-V408 PolarHBondContact O-N 3.47Å; V404-V408 WeakPolarHBondContact CA-O 3.45Å; V408-N412 HydrophobicContact CG1-CB 4.05Å; V408-V413 HydrophobicContact CB-CG2 4.21Å; V408-V413 HydrophobicContact CG1-CG2 3.78Å
409E98.1Very high98.3Very high135 Ų13548.9 Ų48.963%0.63126%0.261SS*.  trans-58.5140.1176.3-63.8-62.1149.700110.9D411 N412E409-D411 VanDerWaalsContact C-N 3.28Å; E409-D411 PolarHBondContact O-N 3.44Å; E409-N412 HydrophobicContact CB-CB 4.2Å; E409-N412 WeakPolarHBondContact O-CA 3.44Å; E409-N412 WeakPolarHBondContact O-CB 3.1Å; E409-N412 PolarHBondContact O-N 2.99Å
410E97.9Very high98.3Very high146 Ų14649.1 Ų49.168%0.68226%0.263SS*.G310 helixtrans-58.1-40.6-174.5-172.5173.2-174.100112.3V404 N412 V413V404-E410 HydrophobicContact CG2-CB 4.33Å; V404-E410 HydrophobicContact CG2-CG 4.44Å; E410-N412 PolarHBondContact O-N 3.26Å; E410-V413 PolarHBondContact O-N 2.98Å
411D97.7Very high98.3Very high146 Ų14649 Ų4978%0.78126%0.261SS*.G310 helixtrans-69.1-11.2176.8-71.5-23.6000113.7E409E409-D411 VanDerWaalsContact C-N 3.28Å; E409-D411 PolarHBondContact O-N 3.44Å
412N98.5Very high98.3Very high35 Ų3544.5 Ų44.519%0.18724%0.24CC..G310 helixtrans-99.53.6178.6-69.6-2.1000113K384 Y385 F386 V408 E409 E410 F414K384-N412 WeakPolarHBondContact O-CB 3.26Å; K384-N412 PolarHBondContact O-ND2 3.47Å; Y385-N412 WeakPolarHBondContact CA-O 3.5Å; Y385-N412 HydrophobicContact CD1-CB 3.65Å; Y385-N412 HydrophobicContact CE1-CB 4.14Å; Y385-N412 VanDerWaalsContact CE1-CG 3.49Å; Y385-N412 WeakPolarHBondContact CE1-OD1 3.21Å; F386-N412 PolarHBondContact N-O 3.44Å; V408-N412 HydrophobicContact CG1-CB 4.05Å; E409-N412 HydrophobicContact CB-CB 4.2Å; E409-N412 WeakPolarHBondContact O-CA 3.44Å; E409-N412 WeakPolarHBondContact O-CB 3.1Å; E409-N412 PolarHBondContact O-N 2.99Å; E410-N412 PolarHBondContact O-N 3.26Å; N412-F414 WeakPolarHBondContact O-CD2 3.25Å; N412-F414 WeakPolarHBondContact O-CE2 3.46Å
413V98.7Very high98.3Very high26 Ų2644.5 Ų44.516%0.15824%0.24CC..BIsolated β-bridgetrans-100.3122.6175.7-178.90000110.3F386 V404 V408 E410 I415F386-V413 HydrophobicContact CB-CG2 4.4Å; F386-V413 HydrophobicContact CD1-CG1 4.21Å; F386-V413 HydrophobicContact CD1-CG2 4.46Å; F386-V413 WeakPolarHBondContact O-CA 3.39Å; V404-V413 HydrophobicContact CG2-CG2 3.87Å; V408-V413 HydrophobicContact CB-CG2 4.21Å; V408-V413 HydrophobicContact CG1-CG2 3.78Å; E410-V413 PolarHBondContact O-N 2.98Å; V413-I415 HydrophobicContact CG1-CD1 4.21Å
414F98.5Very high98.3Very high25 Ų2544.5 Ų44.511%0.1124%0.24CC..  trans-113.6108.9-173.5-62-73000111.3Y385 F386 L387 P388 N412 F416 L422 A429Y385-F414 AromaticContact CD1-CE2 3.77Å; Y385-F414 HydrophobicContact CD1-CE2 3.77Å; Y385-F414 HydrophobicContact CD1-CZ 4.31Å; Y385-F414 HydrophobicContact CG-CE2 4.26Å; F386-F414 PolarHBondContact O-N 3.27Å; L387-F414 HydrophobicContact CD1-CB 3.78Å; L387-F414 WeakPolarHBondContact CD1-O 3.27Å; P388-F414 WeakPolarHBondContact CD-O 3.19Å; N412-F414 WeakPolarHBondContact O-CD2 3.25Å; N412-F414 WeakPolarHBondContact O-CE2 3.46Å; F414-F416 HydrophobicContact CB-CD1 3.79Å; F414-F416 HydrophobicContact CB-CE1 3.63Å; F414-F416 HydrophobicContact CB-CZ 4.23Å; F414-F416 AromaticContact CD1-CE1 3.7Å; F414-F416 HydrophobicContact CD1-CE1 3.7Å; F414-F416 HydrophobicContact CD1-CZ 4.02Å; F414-F416 HydrophobicContact CG-CE1 4.04Å; F414-F416 HydrophobicContact CG-CZ 4.36Å; F414-L422 HydrophobicContact CB-CD2 4.48Å; F414-L422 HydrophobicContact CD1-CD1 3.89Å; F414-L422 HydrophobicContact CD2-CD1 3.78Å; F414-L422 HydrophobicContact CD2-CD2 3.71Å; F414-L422 HydrophobicContact CD2-CG 4.42Å; F414-L422 HydrophobicContact CE1-CD1 3.92Å; F414-L422 HydrophobicContact CE2-CD1 3.81Å; F414-L422 HydrophobicContact CE2-CD2 4.22Å; F414-L422 HydrophobicContact CG-CD1 3.83Å; F414-L422 HydrophobicContact CG-CD2 4.14Å; F414-L422 HydrophobicContact CZ-CD1 3.89Å; F414-A429 HydrophobicContact CE2-CB 3.79Å; F414-A429 HydrophobicContact CZ-CB 3.47Å; F414-A429 VanDerWaalsContact CZ-CB 3.47Å
415I98.4Very high98.2Very high44 Ų4442.5 Ų42.523%0.22623%0.228CC..  trans-94.898.2171.1-49.5-53.4000108.4P388 Y393 L396 V413P388-I415 HydrophobicContact CB-CD1 4.37Å; P388-I415 HydrophobicContact CG-CD1 3.66Å; Y393-I415 HydrophobicContact CD2-CG2 4.22Å; Y393-I415 HydrophobicContact CE2-CG2 3.78Å; L396-I415 HydrophobicContact CB-CD1 4.49Å; L396-I415 HydrophobicContact CB-CG2 4.03Å; L396-I415 WeakPolarHBondContact O-CD1 3.1Å; V413-I415 HydrophobicContact CG1-CD1 4.21Å
416F97.9Very high98.2Very high13 Ų1342.2 Ų42.26%0.05723%0.227CC..  trans-106.8155.8-170.9-84.723.6000112.9L17 L387 F414 D420 L422 K431L17-F416 HydrophobicContact CD1-CB 4.14Å; L387-F416 HydrophobicContact CD1-CB 4Å; L387-F416 HydrophobicContact CD1-CD1 4.47Å; L387-F416 HydrophobicContact CD1-CD2 4.18Å; L387-F416 HydrophobicContact CD1-CG 3.96Å; F414-F416 HydrophobicContact CB-CD1 3.79Å; F414-F416 HydrophobicContact CB-CE1 3.63Å; F414-F416 HydrophobicContact CB-CZ 4.23Å; F414-F416 AromaticContact CD1-CE1 3.7Å; F414-F416 HydrophobicContact CD1-CE1 3.7Å; F414-F416 HydrophobicContact CD1-CZ 4.02Å; F414-F416 HydrophobicContact CG-CE1 4.04Å; F414-F416 HydrophobicContact CG-CZ 4.36Å; F416-D420 HydrophobicContact CB-CB 4.03Å; F416-D420 HydrophobicContact CD2-CB 3.42Å; F416-D420 VanDerWaalsContact CD2-CB 3.42Å; F416-D420 HydrophobicContact CE2-CB 4.01Å; F416-D420 HydrophobicContact CG-CB 3.86Å; F416-L422 HydrophobicContact CD2-CB 4.34Å; F416-L422 HydrophobicContact CE2-CB 3.62Å; F416-L422 HydrophobicContact CE2-CD1 4.33Å; F416-L422 HydrophobicContact CZ-CB 4.18Å; F416-L422 HydrophobicContact CZ-CD1 4.02Å; F416-K431 HydrophobicContact CE1-CD 4.42Å; F416-K431 HydrophobicContact CE2-CG 4.36Å; F416-K431 HydrophobicContact CZ-CB 3.97Å; F416-K431 HydrophobicContact CZ-CD 4.25Å; F416-K431 HydrophobicContact CZ-CG 3.98Å
417D98.2Very high98Very high76 Ų7647.1 Ų47.141%0.40625%0.252SS..  trans-94.3163.2168.9-69.8-41.9000111.1G419 D420D417-G419 PolarHBondContact O-N 2.76Å; D417-D420 PolarHBondContact N-OD2 2.7Å; D417-D420 WeakPolarHBondContact O-CB 3.46Å; D417-D420 PolarHBondContact O-N 2.56Å
418I98.5Very high98Very high26 Ų2647.2 Ų47.213%0.13324%0.244CC..THydrogen-bonded Turntrans-51.4130.5171.1-68.6166.7000110.4L14 L17 E19 D420 R434L14-I418 VanDerWaalsContact O-CG2 3.28Å; L14-I418 WeakPolarHBondContact O-CG2 3.23Å; L17-I418 HydrophobicContact CB-CG1 4.06Å; L17-I418 WeakPolarHBondContact O-CD1 3.4Å; L17-I418 WeakPolarHBondContact O-CG1 3.47Å; E19-I418 HydrophobicContact CG-CD1 4.43Å; E19-I418 VanDerWaalsContact OE1-CD1 3.22Å; E19-I418 WeakPolarHBondContact OE1-CD1 3.36Å; I418-D420 VanDerWaalsContact C-N 3.31Å; I418-D420 PolarHBondContact O-N 3.13Å; I418-R434 PolarHBondContact O-NH2 3.48Å
419G98Very high98Very high0 Ų048.1 Ų48.10%025%0.252CS..THydrogen-bonded Turntrans82.3-8.7-179.400000115.7A13 D417 R434 I435 S437A13-G419 PolarHBondContact O-N 2.63Å; D417-G419 PolarHBondContact O-N 2.76Å; G419-R434 CarbonylContact O-C 3.54Å; G419-R434 WeakPolarHBondContact O-CA 3.49Å; G419-I435 WeakPolarHBondContact O-CG1 3.46Å; G419-I435 PolarHBondContact O-N 2.99Å; G419-S437 WeakPolarHBondContact CA-OG 3.36Å
420D98.2Very high97.9Very high4 Ų445.6 Ų45.62%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-65.4140169-72.9-30000110.5Y12 F416 D417 I418 K431 R434Y12-D420 VanDerWaalsContact CB-O 3.29Å; Y12-D420 WeakPolarHBondContact CB-O 3.43Å; F416-D420 HydrophobicContact CB-CB 4.03Å; F416-D420 HydrophobicContact CD2-CB 3.42Å; F416-D420 VanDerWaalsContact CD2-CB 3.42Å; F416-D420 HydrophobicContact CE2-CB 4.01Å; F416-D420 HydrophobicContact CG-CB 3.86Å; D417-D420 PolarHBondContact N-OD2 2.7Å; D417-D420 WeakPolarHBondContact O-CB 3.46Å; D417-D420 PolarHBondContact O-N 2.56Å; I418-D420 VanDerWaalsContact C-N 3.31Å; I418-D420 PolarHBondContact O-N 3.13Å; D420-K431 WeakPolarHBondContact OD1-CE 3.42Å; D420-K431 IonicContact OD1-NZ 2.99Å; D420-K431 PolarHBondContact OD1-NZ 3.01Å; D420-K431 WeakPolarHBondContact OD2-CE 3.42Å; D420-K431 IonicContact OD2-NZ 3.89Å; D420-K431 PolarHBondContact OD2-NZ 2.87Å; D420-R434 WeakPolarHBondContact OD1-CD 3.35Å; D420-R434 VanDerWaalsContact OD1-CG 3.27Å; D420-R434 WeakPolarHBondContact OD1-CG 3.46Å; D420-R434 IonicContact OD1-NE 3.46Å; D420-R434 PolarHBondContact OD1-NE 3.09Å
421V98.5Very high97.8Very high1 Ų144 Ų441%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-110.4122.8180-176.80000110.6L4 Y12 A432 G433 I435L4-V421 HydrophobicContact CD2-CG1 3.99Å; L4-V421 HydrophobicContact CG-CG1 4.45Å; Y12-V421 HydrophobicContact CD1-CG1 4.27Å; Y12-V421 HydrophobicContact CD1-CG2 4.35Å; Y12-V421 HydrophobicContact CG-CG2 4.48Å; V421-A432 HydrophobicContact CB-CB 4.29Å; V421-A432 HydrophobicContact CG1-CB 4.16Å; V421-A432 PolarHBondContact O-N 3.29Å; V421-G433 PolarHBondContact N-O 2.92Å; V421-G433 VanDerWaalsContact N-O 3.07Å; V421-I435 HydrophobicContact CG2-CG1 4.42Å; V421-I435 HydrophobicContact CG2-CG2 3.74Å
422L98.5Very high97.7Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-92.5114171.5-179.859.7000108.2G10 V11 L387 F414 F416 L424 A429G10-L422 CarbonylContact C-O 3.59Å; G10-L422 WeakPolarHBondContact CA-O 3.26Å; V11-L422 HydrophobicContact CB-CB 4.35Å; V11-L422 PolarHBondContact N-O 2.95Å; V11-L422 PolarHBondContact O-N 2.82Å; L387-L422 HydrophobicContact CD1-CD2 4.46Å; F414-L422 HydrophobicContact CB-CD2 4.48Å; F414-L422 HydrophobicContact CD1-CD1 3.89Å; F414-L422 HydrophobicContact CD2-CD1 3.78Å; F414-L422 HydrophobicContact CD2-CD2 3.71Å; F414-L422 HydrophobicContact CD2-CG 4.42Å; F414-L422 HydrophobicContact CE1-CD1 3.92Å; F414-L422 HydrophobicContact CE2-CD1 3.81Å; F414-L422 HydrophobicContact CE2-CD2 4.22Å; F414-L422 HydrophobicContact CG-CD1 3.83Å; F414-L422 HydrophobicContact CG-CD2 4.14Å; F414-L422 HydrophobicContact CZ-CD1 3.89Å; F416-L422 HydrophobicContact CD2-CB 4.34Å; F416-L422 HydrophobicContact CE2-CB 3.62Å; F416-L422 HydrophobicContact CE2-CD1 4.33Å; F416-L422 HydrophobicContact CZ-CB 4.18Å; F416-L422 HydrophobicContact CZ-CD1 4.02Å; L422-L424 HydrophobicContact CD1-CD2 4.22Å; L422-L424 HydrophobicContact CD2-CD1 4.22Å; L422-L424 HydrophobicContact CD2-CD2 3.95Å; L422-L424 HydrophobicContact CD2-CG 4.23Å; L422-L424 HydrophobicContact CG-CD1 4.37Å; L422-L424 HydrophobicContact CG-CD2 3.86Å; L422-L424 HydrophobicContact CG-CG 3.94Å; L422-A429 HydrophobicContact CD1-CB 4.3Å
423A98.5Very high97.6Very high2 Ų237.5 Ų37.52%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-92127.9171.600000109.6L4 E8 V9 A429 R430 A432L4-A423 HydrophobicContact CD2-CB 3.76Å; E8-A423 HydrophobicContact CB-CB 4.2Å; E8-A423 HydrophobicContact CG-CB 4.24Å; V9-A423 CarbonylContact O-C 3.14Å; V9-A423 WeakPolarHBondContact O-CA 3.33Å; A423-A429 CarbonylContact O-C 3.59Å; A423-A429 VanDerWaalsContact O-CA 3.29Å; A423-A429 WeakPolarHBondContact O-CA 3.49Å; A423-R430 HydrophobicContact CB-CG 3.92Å; A423-R430 PolarHBondContact N-O 2.99Å; A423-R430 PolarHBondContact O-N 3.28Å; A423-A432 HydrophobicContact CB-CB 3.67Å
424L98.4Very high97.5Very high0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-124.1138.4-177.1-59.6164.3000109.9E8 V9 V11 L190 C191 Y385 L422 S428 A429E8-L424 CarbonylContact C-O 3.55Å; E8-L424 VanDerWaalsContact CA-O 3.29Å; E8-L424 WeakPolarHBondContact CA-O 3.14Å; V9-L424 HydrophobicContact CB-CB 4.37Å; V9-L424 PolarHBondContact N-O 3.12Å; V9-L424 PolarHBondContact O-N 2.84Å; V11-L424 HydrophobicContact CG2-CD1 3.76Å; L190-L424 HydrophobicContact CD2-CB 4.01Å; L190-L424 HydrophobicContact CD2-CD1 4.48Å; L190-L424 HydrophobicContact CG-CB 4.48Å; C191-L424 HydrophobicContact CB-CD1 3.54Å; Y385-L424 HydrophobicContact CD2-CD2 3.55Å; Y385-L424 HydrophobicContact CE2-CD2 4.09Å; Y385-L424 HydrophobicContact CG-CD2 3.84Å; L422-L424 HydrophobicContact CD1-CD2 4.22Å; L422-L424 HydrophobicContact CD2-CD1 4.22Å; L422-L424 HydrophobicContact CD2-CD2 3.95Å; L422-L424 HydrophobicContact CD2-CG 4.23Å; L422-L424 HydrophobicContact CG-CD1 4.37Å; L422-L424 HydrophobicContact CG-CD2 3.86Å; L422-L424 HydrophobicContact CG-CG 3.94Å; L424-S428 CarbonylContact C-O 3.57Å; L424-S428 WeakPolarHBondContact CA-O 3.36Å; L424-A429 HydrophobicContact CD2-CB 3.62Å
425T98.2Very high97.4Very high15 Ų1542 Ų429%0.09222%0.216CC..  trans-121.5175.2161.761.80000107.4E8 E156 L190 D427 S428E8-T425 HydrophobicContact CG-CG2 3.78Å; E156-T425 WeakPolarHBondContact OE2-CA 3.09Å; L190-T425 WeakPolarHBondContact CD1-O 3.17Å; T425-D427 PolarHBondContact O-N 2.84Å; T425-D427 PolarHBondContact OG1-N 3Å; T425-S428 PolarHBondContact N-O 2.94Å; T425-S428 PolarHBondContact OG1-N 3.42Å; T425-S428 PolarHBondContact OG1-O 3Å; T425-S428 PolarHBondContact OG1-OG 3.44Å
426H96.3Very high97.4Very high113 Ų11342.6 Ų42.652%0.52322%0.223SC..SBendtrans-49.3-35.7172.4-176.962.5000112.8E156 K384E156-H426 PolarHBondContact OE2-N 2.89Å; K384-H426 PolarHBondContact NZ-O 3.2Å
427D95.6Very high97.3Very high117 Ų11743.5 Ų43.563%0.62623%0.23SC*.SBendtrans-115.3-10.8-167.7-62.7-40.6000116K384 Y385 T425K384-D427 IonicContact NZ-OD1 3.17Å; Y385-D427 PolarHBondContact OH-O 3.33Å; T425-D427 PolarHBondContact O-N 2.84Å; T425-D427 PolarHBondContact OG1-N 3Å
428S97.4Very high97.1Very high58 Ų5841 Ų4141%0.40622%0.223SC..  trans-145.6152.5-174.465.30000112.8Y385 L424 T425Y385-S428 VanDerWaalsContact OH-C 3.27Å; Y385-S428 VanDerWaalsContact OH-CA 3.23Å; Y385-S428 WeakPolarHBondContact OH-CA 3.34Å; Y385-S428 PolarHBondContact OH-N 3.49Å; L424-S428 CarbonylContact C-O 3.57Å; L424-S428 WeakPolarHBondContact CA-O 3.36Å; T425-S428 PolarHBondContact N-O 2.94Å; T425-S428 PolarHBondContact OG1-N 3.42Å; T425-S428 PolarHBondContact OG1-O 3Å; T425-S428 PolarHBondContact OG1-OG 3.44Å
429A97.7Very high96.9Very high28 Ų2844.3 Ų44.323%0.23124%0.241CC..EExtended strand (participates in β ladder)trans-132.4140.2173.400000109.6Y385 F414 L422 A423 L424Y385-A429 HydrophobicContact CD1-CB 3.52Å; Y385-A429 HydrophobicContact CD2-CB 4.28Å; Y385-A429 HydrophobicContact CE1-CB 3.27Å; Y385-A429 HydrophobicContact CE2-CB 4.07Å; Y385-A429 HydrophobicContact CG-CB 4.03Å; F414-A429 HydrophobicContact CE2-CB 3.79Å; F414-A429 HydrophobicContact CZ-CB 3.47Å; F414-A429 VanDerWaalsContact CZ-CB 3.47Å; L422-A429 HydrophobicContact CD1-CB 4.3Å; A423-A429 CarbonylContact O-C 3.59Å; A423-A429 VanDerWaalsContact O-CA 3.29Å; A423-A429 WeakPolarHBondContact O-CA 3.49Å; L424-A429 HydrophobicContact CD2-CB 3.62Å
430R95.9Very high96.7Very high82 Ų8245.7 Ų45.731%0.30925%0.249SC..EExtended strand (participates in β ladder)trans-151151.6175.666.5179.6-176.979.7-2.8112Q3 H5 E8 A423 A432Q3-R430 PolarHBondContact O-NH2 3.17Å; H5-R430 PolarHBondContact CD2-NH2 2.78Å; H5-R430 PolarHBondContact NE2-NH2 2.88Å; E8-R430 VanDerWaalsContact CD-NH2 3.28Å; E8-R430 IonicContact OE1-CZ 2.81Å; E8-R430 VanDerWaalsContact OE1-CZ 3.23Å; E8-R430 IonicContact OE1-NE 2.75Å; E8-R430 PolarHBondContact OE1-NE 2.76Å; E8-R430 IonicContact OE1-NH2 3.54Å; E8-R430 PolarHBondContact OE1-NH2 2.84Å; E8-R430 IonicContact OE2-CZ 3.7Å; E8-R430 IonicContact OE2-NE 3.23Å; E8-R430 IonicContact OE2-NH2 3.4Å; E8-R430 PolarHBondContact OE2-NH2 3.48Å; A423-R430 HydrophobicContact CB-CG 3.92Å; A423-R430 PolarHBondContact N-O 2.99Å; A423-R430 PolarHBondContact O-N 3.28Å; R430-A432 PolarHBondContact O-N 3.17Å
431K96.2Very high96.5Very high113 Ų11345.9 Ų45.949%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-71.8122.6165.7-171.4168.4-178162.10109.5F416 D420F416-K431 HydrophobicContact CE1-CD 4.42Å; F416-K431 HydrophobicContact CE2-CG 4.36Å; F416-K431 HydrophobicContact CZ-CB 3.97Å; F416-K431 HydrophobicContact CZ-CD 4.25Å; F416-K431 HydrophobicContact CZ-CG 3.98Å; D420-K431 WeakPolarHBondContact OD1-CE 3.42Å; D420-K431 IonicContact OD1-NZ 2.99Å; D420-K431 PolarHBondContact OD1-NZ 3.01Å; D420-K431 WeakPolarHBondContact OD2-CE 3.42Å; D420-K431 IonicContact OD2-NZ 3.89Å; D420-K431 PolarHBondContact OD2-NZ 2.87Å
432A95.9Very high96.2Very high14 Ų1446 Ų4612%0.11625%0.251CS..EExtended strand (participates in β ladder)trans-105.94.7-167.700000115.2Q3 V421 A423 R430Q3-A432 WeakPolarHBondContact O-CB 3.21Å; V421-A432 HydrophobicContact CB-CB 4.29Å; V421-A432 HydrophobicContact CG1-CB 4.16Å; V421-A432 PolarHBondContact O-N 3.29Å; A423-A432 HydrophobicContact CB-CB 3.67Å; R430-A432 PolarHBondContact O-N 3.17Å
433G95.8Very high95.7Very high31 Ų3148.3 Ų48.332%0.3226%0.264SS..EExtended strand (participates in β ladder)trans117.4-156.2-176.700000111.4V421V421-G433 PolarHBondContact N-O 2.92Å; V421-G433 VanDerWaalsContact N-O 3.07Å
434R97.2Very high95.1Very high139 Ų13950.9 Ų50.953%0.52529%0.29SS..EExtended strand (participates in β ladder)trans-136.1139.7-178.1-62-170.773.9172.35.4113.1Q3 I418 G419 D420Q3-R434 PolarHBondContact NE2-O 3.2Å; I418-R434 PolarHBondContact O-NH2 3.48Å; G419-R434 CarbonylContact O-C 3.54Å; G419-R434 WeakPolarHBondContact O-CA 3.49Å; D420-R434 WeakPolarHBondContact OD1-CD 3.35Å; D420-R434 VanDerWaalsContact OD1-CG 3.27Å; D420-R434 WeakPolarHBondContact OD1-CG 3.46Å; D420-R434 IonicContact OD1-NE 3.46Å; D420-R434 PolarHBondContact OD1-NE 3.09Å
435I96.9Very high94.2Very high6 Ų656.6 Ų56.63%0.03133%0.33CS..  trans-93156.8172.455.7169.6000112Y12 L14 Y59 G419 V421 S437Y12-I435 HydrophobicContact CD2-CD1 3.22Å; Y12-I435 HydrophobicContact CD2-CG1 4.47Å; Y12-I435 HydrophobicContact CE2-CD1 3.49Å; Y12-I435 VanDerWaalsContact CE2-CD1 3.49Å; Y12-I435 HydrophobicContact CG-CD1 3.86Å; L14-I435 HydrophobicContact CD2-CD1 3.57Å; L14-I435 HydrophobicContact CD2-CG1 4.42Å; L14-I435 HydrophobicContact CG-CD1 4.49Å; Y59-I435 HydrophobicContact CD1-CD1 4.01Å; Y59-I435 HydrophobicContact CD1-CG2 4.34Å; Y59-I435 HydrophobicContact CD2-CB 3.8Å; Y59-I435 HydrophobicContact CD2-CG2 3.62Å; Y59-I435 HydrophobicContact CE1-CG2 4.23Å; Y59-I435 HydrophobicContact CE2-CB 4.19Å; Y59-I435 HydrophobicContact CE2-CG2 3.47Å; Y59-I435 VanDerWaalsContact CE2-CG2 3.47Å; Y59-I435 HydrophobicContact CG-CB 3.97Å; Y59-I435 HydrophobicContact CG-CD1 4.1Å; Y59-I435 HydrophobicContact CG-CG2 4.04Å; G419-I435 WeakPolarHBondContact O-CG1 3.46Å; G419-I435 PolarHBondContact O-N 2.99Å; V421-I435 HydrophobicContact CG2-CG1 4.42Å; V421-I435 HydrophobicContact CG2-CG2 3.74Å; I435-S437 PolarHBondContact O-N 3.33Å; I435-S437 VanDerWaalsContact O-N 3.16Å; I435-S437 PolarHBondContact O-OG 2.97Å; I435-S437 VanDerWaalsContact O-OG 3.08Å
436P97Very high93.4Very high56 Ų5656.2 Ų56.236%0.36433%0.329SS..SBendtrans-50.1121.7166.9-25.534.6000110.5T58T58-P436 HydrophobicContact CG2-CB 4.02Å; T58-P436 HydrophobicContact CG2-CG 4.48Å
437S96.4Very high92.9Very high32 Ų3253.6 Ų53.622%0.22432%0.318CS..  trans-161.5159.9-173.656.40000109.7G419 I435G419-S437 WeakPolarHBondContact CA-OG 3.36Å; I435-S437 PolarHBondContact O-N 3.33Å; I435-S437 VanDerWaalsContact O-N 3.16Å; I435-S437 PolarHBondContact O-OG 2.97Å; I435-S437 VanDerWaalsContact O-OG 3.08Å
438G94Very high92.2Very high25 Ų2550.2 Ų50.226%0.25831%0.312SS..  trans156.3-168.2-177.100000112.8D56D56-G438 PolarHBondContact N-O 3.34Å
439N93.8Very high91.3Very high95 Ų9552.5 Ų52.551%0.50832%0.319SS..EExtended strand (participates in β ladder)trans-100.5129179.2-66.3-16.6000110.1K22 V53K22-N439 PolarHBondContact NZ-OD1 3.23Å; V53-N439 HydrophobicContact CG1-CB 3.74Å
440V95Very high90.4Very high28 Ų2851.9 Ų51.917%0.1731%0.312CS..EExtended strand (participates in β ladder)trans-108125.3165.7178.50000107.7I54 D56 I447I54-V440 HydrophobicContact CD1-CB 4.31Å; I54-V440 HydrophobicContact CD1-CG1 4.19Å; I54-V440 HydrophobicContact CG1-CB 3.71Å; I54-V440 HydrophobicContact CG1-CG1 4.07Å; I54-V440 PolarHBondContact N-O 3.3Å; I54-V440 PolarHBondContact O-N 3.46Å; D56-V440 HydrophobicContact CB-CG2 4.14Å; V440-I447 HydrophobicContact CG1-CG2 3.93Å
441L94.4Very high89.5Confident9 Ų949.7 Ų49.75%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-89.3140.9-177.8-54.9-178.7000110.1L47 I50 V53 G448 I450 I455L47-L441 HydrophobicContact CD1-CD2 4.23Å; L47-L441 HydrophobicContact CD2-CD1 4.38Å; L47-L441 HydrophobicContact CD2-CD2 4.24Å; I50-L441 HydrophobicContact CD1-CB 3.81Å; I50-L441 HydrophobicContact CD1-CD1 4.1Å; I50-L441 HydrophobicContact CD1-CG 4.46Å; I50-L441 HydrophobicContact CG1-CB 4.36Å; I50-L441 HydrophobicContact CG1-CD1 4.23Å; I50-L441 HydrophobicContact CG2-CB 4.44Å; I50-L441 HydrophobicContact CG2-CD2 4.39Å; V53-L441 HydrophobicContact CG1-CD2 4.21Å; V53-L441 HydrophobicContact CG2-CD2 3.92Å; L441-G448 PolarHBondContact O-N 3.49Å; L441-I450 HydrophobicContact CB-CB 4.48Å; L441-I450 HydrophobicContact CD1-CG2 4.16Å; L441-I455 HydrophobicContact CD1-CD1 4.15Å; L441-I455 HydrophobicContact CD1-CG1 3.79Å
442V91.2Very high88.8Confident2 Ų250.8 Ų50.81%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-120.4128.9177.7-178.60000109.5D51 Y52 I54 F85 G446D51-V442 PolarHBondContact N-O 2.96Å; Y52-V442 HydrophobicContact CD2-CG1 4.44Å; Y52-V442 PolarHBondContact N-O 3.31Å; Y52-V442 PolarHBondContact O-N 3.33Å; I54-V442 HydrophobicContact CD1-CG2 4.1Å; I54-V442 HydrophobicContact CG1-CG2 4.27Å; I54-V442 HydrophobicContact CG2-CG2 4.25Å; F85-V442 HydrophobicContact CD1-CG2 4.19Å; F85-V442 HydrophobicContact CE1-CB 4.43Å; F85-V442 HydrophobicContact CE1-CG1 3.66Å; F85-V442 HydrophobicContact CE1-CG2 3.89Å; F85-V442 HydrophobicContact CZ-CG1 3.95Å; F85-V442 HydrophobicContact CZ-CG2 4.33Å; V442-G446 WeakPolarHBondContact CA-O 3.38Å
443D88.9Confident88.3Confident50 Ų5054.1 Ų54.127%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-139.1108.3175.7-179.6-6.3000108.8G49 I50 S445 G446 I450 R458G49-D443 VanDerWaalsContact O-OD2 3.11Å; I50-D443 HydrophobicContact CD1-CB 4.37Å; D443-S445 PolarHBondContact O-N 2.96Å; D443-S445 VanDerWaalsContact O-N 3.12Å; D443-G446 PolarHBondContact N-O 2.93Å; D443-G446 VanDerWaalsContact N-O 3.1Å; D443-G446 WeakPolarHBondContact O-CA 3.49Å; D443-G446 PolarHBondContact O-N 3.22Å; D443-I450 HydrophobicContact CB-CD1 3.16Å; D443-I450 HydrophobicContact CB-CG1 4.48Å; D443-I450 WeakPolarHBondContact OD2-CD1 3.46Å; D443-R458 IonicContact OD2-CZ 3.73Å; D443-R458 IonicContact OD2-NH1 3.77Å; D443-R458 PolarHBondContact OD2-NH1 2.99Å; D443-R458 IonicContact OD2-NH2 3.59Å; D443-R458 PolarHBondContact OD2-NH2 3.47Å
444G84.2Confident87.9Confident55 Ų5555.3 Ų55.357%0.56735%0.346SS*.THydrogen-bonded Turntrans56.7-114-17300000112.4D51D51-G444 PolarHBondContact OD2-N 3.46Å
445S80.8Confident87.4Confident120 Ų12049.5 Ų49.584%0.83933%0.325SS*.THydrogen-bonded Turntrans-88.3-13.5176.656.10000113.8D443D443-S445 PolarHBondContact O-N 2.96Å; D443-S445 VanDerWaalsContact O-N 3.12Å
446G81.6Confident87Confident8 Ų856.2 Ų56.28%0.08235%0.35CS..EExtended strand (participates in β ladder)trans-75127.3-179.300000111.6V442 D443 D449V442-G446 WeakPolarHBondContact CA-O 3.38Å; D443-G446 PolarHBondContact N-O 2.93Å; D443-G446 VanDerWaalsContact N-O 3.1Å; D443-G446 WeakPolarHBondContact O-CA 3.49Å; D443-G446 PolarHBondContact O-N 3.22Å; G446-D449 VanDerWaalsContact CA-CG 3.46Å; G446-D449 WeakPolarHBondContact CA-OD1 3.46Å; G446-D449 VanDerWaalsContact CA-OD2 3.27Å; G446-D449 WeakPolarHBondContact CA-OD2 2.94Å
447I85.6Confident86.7Confident57 Ų5756.2 Ų56.229%0.29235%0.347SS..EExtended strand (participates in β ladder)trans-123.1112.1175-57.9164.8000107.1I54 F85 K88 V440 D449I54-I447 HydrophobicContact CD1-CG2 4.11Å; F85-I447 HydrophobicContact CD1-CD1 3.67Å; F85-I447 HydrophobicContact CD1-CG1 3.94Å; F85-I447 HydrophobicContact CE1-CD1 4.13Å; F85-I447 HydrophobicContact CE1-CG1 4.12Å; K88-I447 HydrophobicContact CD-CD1 3.7Å; V440-I447 HydrophobicContact CG1-CG2 3.93Å; I447-D449 PolarHBondContact N-OD1 3.21Å; I447-D449 PolarHBondContact O-N 3.42Å; I447-D449 VanDerWaalsContact O-N 3.16Å
448G80.1Confident86.5Confident47 Ų4758.1 Ų58.149%0.48535%0.349SS..SBendtrans69.45178.300000115.1L441L441-G448 PolarHBondContact O-N 3.49Å
449D78.7Confident86.3Confident106 Ų10660.9 Ų60.957%0.56735%0.354SS*.  trans-73.5-19.5172.159-25.6000112.3G446 I447G446-D449 VanDerWaalsContact CA-CG 3.46Å; G446-D449 WeakPolarHBondContact CA-OD1 3.46Å; G446-D449 VanDerWaalsContact CA-OD2 3.27Å; G446-D449 WeakPolarHBondContact CA-OD2 2.94Å; I447-D449 PolarHBondContact N-OD1 3.21Å; I447-D449 PolarHBondContact O-N 3.42Å; I447-D449 VanDerWaalsContact O-N 3.16Å
450I77.9Confident86.1Confident14 Ų1459.6 Ų59.67%0.07235%0.347CS..  trans-97.5103.5175.6-61.4174.1000110I50 L441 D443 V454 I455I50-I450 HydrophobicContact CD1-CB 4.27Å; I50-I450 HydrophobicContact CD1-CD1 3.79Å; I50-I450 HydrophobicContact CD1-CG2 3.86Å; L441-I450 HydrophobicContact CB-CB 4.48Å; L441-I450 HydrophobicContact CD1-CG2 4.16Å; D443-I450 HydrophobicContact CB-CD1 3.16Å; D443-I450 HydrophobicContact CB-CG1 4.48Å; D443-I450 WeakPolarHBondContact OD2-CD1 3.46Å; I450-V454 HydrophobicContact CG2-CB 3.93Å; I450-V454 HydrophobicContact CG2-CG1 3.92Å; I450-I455 HydrophobicContact CG2-CD1 3.74Å; I450-I455 HydrophobicContact CG2-CG1 4.01Å
451G79Confident86Confident37 Ų3761.7 Ų61.738%0.38136%0.357SS..  trans-84.1169169.600000113V453 V454 I455G451-V453 PolarHBondContact O-N 3.26Å; G451-V454 PolarHBondContact O-N 3.04Å; G451-I455 PolarHBondContact O-N 3.47Å
452N80.1Confident85.9Confident135 Ų13565 Ų6572%0.72238%0.381SS*.Hα-helixtrans-55.2-26.8175.5-72.8-29.8000113.6I455 R456N452-I455 PolarHBondContact O-N 3.17Å; N452-R456 WeakPolarHBondContact O-CB 3.35Å; N452-R456 PolarHBondContact O-N 3.06Å
453V85Confident85.9Confident84 Ų8469.9 Ų69.951%0.50940%0.404SS..Hα-helixtrans-63.6-44.9175.6-179.20000111G451 I455 R456 D457G451-V453 PolarHBondContact O-N 3.26Å; V453-I455 PolarHBondContact O-N 2.98Å; V453-R456 WeakPolarHBondContact O-CB 3.41Å; V453-R456 PolarHBondContact O-N 3.17Å; V453-D457 VanDerWaalsContact O-CG 3.29Å; V453-D457 PolarHBondContact O-N 3.06Å
454V88.2Confident86Confident57 Ų5769.9 Ų69.935%0.34540%0.402SS..Hα-helixtrans-65.8-40.6179.4176.40000110.5I450 G451 D457 R458I450-V454 HydrophobicContact CG2-CB 3.93Å; I450-V454 HydrophobicContact CG2-CG1 3.92Å; G451-V454 PolarHBondContact O-N 3.04Å; V454-D457 PolarHBondContact O-N 3.15Å; V454-R458 WeakPolarHBondContact O-CG 3.27Å; V454-R458 PolarHBondContact O-N 3.17Å
455I87.6Confident86.4Confident16 Ų1667.4 Ų67.48%0.08238%0.376CS..Hα-helixtrans-62.5-43.7174.7-60.8-58.1000111.4L47 I50 L441 I450 G451 N452 V453 D457 R458 K459L47-I455 HydrophobicContact CD2-CG1 4.47Å; L47-I455 HydrophobicContact CD2-CG2 4.37Å; I50-I455 HydrophobicContact CD1-CD1 3.81Å; I50-I455 HydrophobicContact CG1-CD1 3.67Å; L441-I455 HydrophobicContact CD1-CD1 4.15Å; L441-I455 HydrophobicContact CD1-CG1 3.79Å; I450-I455 HydrophobicContact CG2-CD1 3.74Å; I450-I455 HydrophobicContact CG2-CG1 4.01Å; G451-I455 PolarHBondContact O-N 3.47Å; N452-I455 PolarHBondContact O-N 3.17Å; V453-I455 PolarHBondContact O-N 2.98Å; I455-D457 VanDerWaalsContact C-N 3.31Å; I455-D457 PolarHBondContact O-N 3.39Å; I455-R458 PolarHBondContact O-N 3.24Å; I455-K459 WeakPolarHBondContact O-CB 3.42Å; I455-K459 PolarHBondContact O-N 2.79Å
456R88.2Confident87Confident148 Ų14863.1 Ų63.156%0.55834%0.344SS*.Hα-helixtrans-60-43.3175.5-174.5-172.868-169.60.1111.4N452 V453 K459 L460N452-R456 WeakPolarHBondContact O-CB 3.35Å; N452-R456 PolarHBondContact O-N 3.06Å; V453-R456 WeakPolarHBondContact O-CB 3.41Å; V453-R456 PolarHBondContact O-N 3.17Å; R456-K459 PolarHBondContact O-N 3.19Å; R456-L460 HydrophobicContact CG-CD1 4.3Å; R456-L460 WeakPolarHBondContact O-CG 3.44Å; R456-L460 PolarHBondContact O-N 3.46Å
457D90.4Very high87.6Confident56 Ų5662.8 Ų62.830%0.29934%0.34SS..Hα-helixtrans-65.4-42.8178.1-68.5-7.7000110.9V453 V454 I455 K459 L460 L461 M548V453-D457 VanDerWaalsContact O-CG 3.29Å; V453-D457 PolarHBondContact O-N 3.06Å; V454-D457 PolarHBondContact O-N 3.15Å; I455-D457 VanDerWaalsContact C-N 3.31Å; I455-D457 PolarHBondContact O-N 3.39Å; D457-K459 VanDerWaalsContact C-N 3.31Å; D457-K459 PolarHBondContact O-N 3.28Å; D457-L460 PolarHBondContact O-N 3.46Å; D457-L461 WeakPolarHBondContact O-CB 3.47Å; D457-L461 WeakPolarHBondContact O-CG 3.4Å; D457-L461 PolarHBondContact O-N 3.35Å; D457-M548 HydrophobicContact CB-CE 4.07Å
458R91.4Very high88Confident71 Ų7162.1 Ų62.127%0.26834%0.336SS..Hα-helixtrans-57.3-43.9172.4-73.4179.8179.4-177.3-2.6111.6L48 G49 D443 V454 I455 L461 S462L48-R458 HydrophobicContact CB-CB 4.1Å; L48-R458 HydrophobicContact CD1-CB 4.28Å; L48-R458 WeakPolarHBondContact O-CD 3.41Å; L48-R458 PolarHBondContact O-NH1 3.42Å; G49-R458 PolarHBondContact O-NH1 3.14Å; D443-R458 IonicContact OD2-CZ 3.73Å; D443-R458 IonicContact OD2-NH1 3.77Å; D443-R458 PolarHBondContact OD2-NH1 2.99Å; D443-R458 IonicContact OD2-NH2 3.59Å; D443-R458 PolarHBondContact OD2-NH2 3.47Å; V454-R458 WeakPolarHBondContact O-CG 3.27Å; V454-R458 PolarHBondContact O-N 3.17Å; I455-R458 PolarHBondContact O-N 3.24Å; R458-L461 PolarHBondContact O-N 3.14Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-N 3.3Å
459K90.3Very high88.8Confident83 Ų8359.9 Ų59.936%0.36131%0.313SS..Hα-helixtrans-62.6-51.4178.4-174170.5-178169.20111.6L48 I455 R456 D457 L461 S462 E463L48-K459 HydrophobicContact CD1-CB 4.23Å; I455-K459 WeakPolarHBondContact O-CB 3.42Å; I455-K459 PolarHBondContact O-N 2.79Å; R456-K459 PolarHBondContact O-N 3.19Å; D457-K459 VanDerWaalsContact C-N 3.31Å; D457-K459 PolarHBondContact O-N 3.28Å; K459-L461 VanDerWaalsContact C-N 3.32Å; K459-L461 PolarHBondContact O-N 3.12Å; K459-S462 PolarHBondContact O-N 3Å; K459-S462 VanDerWaalsContact O-N 3.07Å; K459-S462 PolarHBondContact O-OG 3.44Å; K459-E463 WeakPolarHBondContact CE-OE1 3.38Å; K459-E463 PolarHBondContact O-N 2.84Å
460L89.3Confident89.6Confident69 Ų6956.3 Ų56.336%0.36130%0.296SS..Hα-helixtrans-57.5-44.2177-73171.3000112R456 D457 S462 E463 E464 M548R456-L460 HydrophobicContact CG-CD1 4.3Å; R456-L460 WeakPolarHBondContact O-CG 3.44Å; R456-L460 PolarHBondContact O-N 3.46Å; D457-L460 PolarHBondContact O-N 3.46Å; L460-S462 VanDerWaalsContact C-N 3.31Å; L460-S462 PolarHBondContact O-N 3.13Å; L460-E463 PolarHBondContact O-N 3.37Å; L460-E464 WeakPolarHBondContact O-CB 3.36Å; L460-E464 PolarHBondContact O-N 2.96Å; L460-M548 HydrophobicContact CB-CE 4.02Å; L460-M548 HydrophobicContact CD1-CE 4.12Å
461L93.7Very high90.4Very high72 Ų7255.7 Ų55.738%0.37729%0.292SS..Hα-helixtrans-62.3-37.6176.4-71.3170.3000112.4D457 R458 K459 G465 L466 M548D457-L461 WeakPolarHBondContact O-CB 3.47Å; D457-L461 WeakPolarHBondContact O-CG 3.4Å; D457-L461 PolarHBondContact O-N 3.35Å; R458-L461 PolarHBondContact O-N 3.14Å; K459-L461 VanDerWaalsContact C-N 3.32Å; K459-L461 PolarHBondContact O-N 3.12Å; L461-G465 WeakPolarHBondContact O-CA 3.32Å; L461-G465 PolarHBondContact O-N 3.38Å; L461-L466 HydrophobicContact CD2-CB 3.67Å; L461-L466 HydrophobicContact CD2-CD1 4.14Å; L461-L466 HydrophobicContact CD2-CD2 4.24Å; L461-L466 HydrophobicContact CD2-CG 4.23Å; L461-M548 HydrophobicContact CD2-CB 4.46Å; L461-M548 HydrophobicContact CD2-SD 4.01Å; L461-M548 HydrophobicContact CG-CE 4.33Å; L461-M548 HydrophobicContact CG-SD 4.35Å
462S91.4Very high91.1Very high79 Ų7954.9 Ų54.955%0.55228%0.281SS*.Hα-helixtrans-72.6-34-179.575.80000113.7R458 K459 L460R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-N 3.3Å; K459-S462 PolarHBondContact O-N 3Å; K459-S462 VanDerWaalsContact O-N 3.07Å; K459-S462 PolarHBondContact O-OG 3.44Å; L460-S462 VanDerWaalsContact C-N 3.31Å; L460-S462 PolarHBondContact O-N 3.13Å
463E90.8Very high91.7Very high104 Ų10448.5 Ų48.549%0.48625%0.247SC..Hα-helixtrans-91-44.3-176-67.7176.2174.500111.9K459 L460 R545K459-E463 WeakPolarHBondContact CE-OE1 3.38Å; K459-E463 PolarHBondContact O-N 2.84Å; L460-E463 PolarHBondContact O-N 3.37Å; E463-R545 PolarHBondContact O-NH2 2.76Å
464E91.1Very high91.9Very high50 Ų5045.3 Ų45.323%0.23423%0.227CC..Hα-helixtrans-110.1-19.7-168.4-62.7-68.8175.300113.7L460 R545 K546L460-E464 WeakPolarHBondContact O-CB 3.36Å; L460-E464 PolarHBondContact O-N 2.96Å; E464-R545 PolarHBondContact O-NH2 2.91Å; E464-R545 WeakPolarHBondContact OE2-CB 3.46Å; E464-R545 IonicContact OE2-NE 2.76Å; E464-K546 VanDerWaalsContact CB-O 3.26Å; E464-K546 WeakPolarHBondContact CB-O 3.33Å; E464-K546 WeakPolarHBondContact CG-O 3.47Å; E464-K546 PolarHBondContact OE2-N 3.07Å
465G92.4Very high91.9Very high2 Ų244.7 Ų44.72%0.02122%0.219CC..  trans74.9-170.9-173.600000113.4L461 R489 M548L461-G465 WeakPolarHBondContact O-CA 3.32Å; L461-G465 PolarHBondContact O-N 3.38Å; G465-R489 WeakPolarHBondContact CA-O 3.49Å; G465-M548 PolarHBondContact O-N 3.35Å
466L94.2Very high91.8Very high31 Ų3149.9 Ų49.916%0.16225%0.248CC..EExtended strand (participates in β ladder)trans-132138.9-171.4179.266.7000111L461 I468 S488 R489 M548 L550L461-L466 HydrophobicContact CD2-CB 3.67Å; L461-L466 HydrophobicContact CD2-CD1 4.14Å; L461-L466 HydrophobicContact CD2-CD2 4.24Å; L461-L466 HydrophobicContact CD2-CG 4.23Å; L466-I468 HydrophobicContact CD1-CG1 4.38Å; L466-I468 HydrophobicContact CD2-CD1 3.94Å; L466-I468 HydrophobicContact CD2-CG1 3.85Å; L466-I468 HydrophobicContact CG-CG1 3.91Å; L466-S488 WeakPolarHBondContact O-CA 3.42Å; L466-R489 PolarHBondContact N-O 3.42Å; L466-R489 PolarHBondContact O-N 3.22Å; L466-M548 CarbonylContact C-O 3.59Å; L466-M548 WeakPolarHBondContact CA-O 3.4Å; L466-M548 HydrophobicContact CD1-CB 3.98Å; L466-M548 HydrophobicContact CD1-CG 3.93Å; L466-M548 WeakPolarHBondContact CD1-O 3.47Å; L466-M548 HydrophobicContact CD1-SD 4.11Å; L466-L550 HydrophobicContact CD1-CB 4.12Å
467V93.9Very high91.8Very high1 Ų146.3 Ų46.31%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-125115.4168.9-178.90000108.9V469 I486 I487 F491 L535 L539 P547 M548 I549 L550V467-V469 HydrophobicContact CG1-CG2 4.37Å; V467-I486 HydrophobicContact CG1-CG2 3.51Å; V467-I487 CarbonylContact C-O 3.54Å; V467-I487 WeakPolarHBondContact CA-O 3.44Å; V467-F491 HydrophobicContact CG2-CB 4.25Å; V467-F491 HydrophobicContact CG2-CD1 3.4Å; V467-F491 VanDerWaalsContact CG2-CD1 3.4Å; V467-F491 HydrophobicContact CG2-CE1 4.03Å; V467-F491 HydrophobicContact CG2-CG 4.02Å; V467-L535 HydrophobicContact CG1-CD2 3.98Å; V467-L539 HydrophobicContact CG2-CD1 4.09Å; V467-P547 HydrophobicContact CG2-CB 3.94Å; V467-P547 HydrophobicContact CG2-CG 3.91Å; V467-M548 PolarHBondContact N-O 2.93Å; V467-I549 CarbonylContact O-C 3.37Å; V467-I549 WeakPolarHBondContact O-CA 3.02Å; V467-L550 PolarHBondContact O-N 3.36Å
468I95.4Very high91.7Very high42 Ų4244.9 Ų44.922%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-97.4129.3176-52.4175.9000107.8L466 V470 I486 I487 L550 V552L466-I468 HydrophobicContact CD1-CG1 4.38Å; L466-I468 HydrophobicContact CD2-CD1 3.94Å; L466-I468 HydrophobicContact CD2-CG1 3.85Å; L466-I468 HydrophobicContact CG-CG1 3.91Å; I468-V470 HydrophobicContact CG2-CG2 4.05Å; I468-I486 WeakPolarHBondContact O-CA 3.47Å; I468-I487 HydrophobicContact CB-CB 4.34Å; I468-I487 PolarHBondContact N-O 3.1Å; I468-I487 PolarHBondContact O-N 3.24Å; I468-L550 WeakPolarHBondContact CA-O 3.37Å; I468-V552 HydrophobicContact CG2-CG2 3.92Å
469V95.6Very high91.7Very high0 Ų047.9 Ų47.90%025%0.249CC..EExtended strand (participates in β ladder)trans-115.4116.7176.7-1750000108.6V467 P484 D485 I486 I508 I531 L535 I549 L550 P551 V552V467-V469 HydrophobicContact CG1-CG2 4.37Å; V469-P484 HydrophobicContact CG1-CB 3.9Å; V469-D485 CarbonylContact C-O 3.28Å; V469-D485 WeakPolarHBondContact CA-O 3.41Å; V469-I486 HydrophobicContact CG2-CG1 4.36Å; V469-I508 HydrophobicContact CG1-CD1 4.04Å; V469-I508 HydrophobicContact CG1-CG2 4.35Å; V469-I508 HydrophobicContact CG2-CD1 4.14Å; V469-I531 HydrophobicContact CB-CG2 3.88Å; V469-I531 HydrophobicContact CG1-CG2 3.88Å; V469-I531 HydrophobicContact CG2-CG2 3.92Å; V469-L535 HydrophobicContact CG2-CD2 3.64Å; V469-I549 HydrophobicContact CG2-CG2 4.36Å; V469-L550 PolarHBondContact N-O 3.02Å; V469-P551 CarbonylContact O-C 3.58Å; V469-P551 WeakPolarHBondContact O-CA 3.39Å; V469-V552 PolarHBondContact O-N 3.32Å
470V96.1Very high91.8Very high32 Ų3245.6 Ų45.619%0.19424%0.241CC..EExtended strand (participates in β ladder)trans-107127.3-178.9-170.80000109.9I468 P484 D485 V552 M554I468-V470 HydrophobicContact CG2-CG2 4.05Å; V470-P484 CarbonylContact O-C 3.53Å; V470-P484 WeakPolarHBondContact O-CA 3.48Å; V470-D485 HydrophobicContact CB-CB 4.45Å; V470-D485 PolarHBondContact N-O 3.01Å; V470-D485 PolarHBondContact O-N 3.47Å; V470-V552 WeakPolarHBondContact CA-O 3.47Å; V470-V552 HydrophobicContact CG2-CB 4.31Å; V470-M554 HydrophobicContact CG1-SD 4.43Å
471V95.1Very high91.9Very high0 Ų046.8 Ų46.80%025%0.247CC..EExtended strand (participates in β ladder)trans-132.3143.2174-68.90000110.4I473 L480 P484 I531 V552 I553 M554V471-I473 HydrophobicContact CG2-CD1 4.05Å; V471-I473 HydrophobicContact CG2-CG1 4.34Å; V471-L480 HydrophobicContact CB-CD1 3.83Å; V471-L480 HydrophobicContact CG1-CD1 4.05Å; V471-P484 HydrophobicContact CG1-CB 3.69Å; V471-I531 HydrophobicContact CG2-CD1 4.1Å; V471-V552 PolarHBondContact N-O 2.9Å; V471-I553 HydrophobicContact CG2-CB 4.29Å; V471-I553 HydrophobicContact CG2-CG1 3.78Å; V471-I553 HydrophobicContact CG2-CG2 4.32Å; V471-I553 CarbonylContact O-C 3.59Å; V471-I553 WeakPolarHBondContact O-CA 3.37Å; V471-M554 PolarHBondContact O-N 3.29Å
472S94.1Very high91.8Very high21 Ų2146.3 Ų46.315%0.14725%0.25CC..EExtended strand (participates in β ladder)trans-109.9120.8172.4-57.80000109.4L481 S482 M554S472-L481 PolarHBondContact O-N 3.05Å; S472-S482 PolarHBondContact N-O 2.87Å; S472-S482 PolarHBondContact O-N 2.98Å; S472-M554 WeakPolarHBondContact CA-O 3.45Å
473I91.6Very high91.8Very high0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-125.4134.8-173.9-60.6175.9000109.6V471 F475 K479 L480 V512 L516 I527 I553 M554 V556V471-I473 HydrophobicContact CG2-CD1 4.05Å; V471-I473 HydrophobicContact CG2-CG1 4.34Å; I473-F475 HydrophobicContact CB-CD2 4.33Å; I473-F475 HydrophobicContact CB-CE2 3.91Å; I473-F475 HydrophobicContact CB-CZ 4.28Å; I473-F475 HydrophobicContact CD1-CZ 4.37Å; I473-F475 HydrophobicContact CG2-CD1 4.3Å; I473-F475 HydrophobicContact CG2-CD2 3.91Å; I473-F475 HydrophobicContact CG2-CE1 4.2Å; I473-F475 HydrophobicContact CG2-CE2 3.79Å; I473-F475 HydrophobicContact CG2-CG 4.17Å; I473-F475 HydrophobicContact CG2-CZ 3.94Å; I473-K479 WeakPolarHBondContact CA-O 3.42Å; I473-L480 HydrophobicContact CG1-CD1 3.89Å; I473-V512 HydrophobicContact CD1-CG1 4.14Å; I473-L516 HydrophobicContact CD1-CD1 4.48Å; I473-L516 HydrophobicContact CG2-CD1 4.31Å; I473-L516 HydrophobicContact CG2-CD2 3.92Å; I473-I527 HydrophobicContact CD1-CG1 4.36Å; I473-I527 HydrophobicContact CD1-CG2 3.83Å; I473-I553 HydrophobicContact CB-CG2 4.42Å; I473-I553 HydrophobicContact CD1-CG2 4.11Å; I473-I553 HydrophobicContact CG1-CG2 4.39Å; I473-M554 PolarHBondContact N-O 2.75Å; I473-V556 PolarHBondContact O-N 3.14Å
474D90.2Very high91.9Very high17 Ų1738.7 Ų38.79%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-95.1106.9162.41785.8000109.2N476 T477 N478 K479 L481 N557D474-N476 VanDerWaalsContact C-N 3.31Å; D474-N476 WeakPolarHBondContact OD1-CB 3.12Å; D474-N476 PolarHBondContact OD1-N 2.81Å; D474-T477 WeakPolarHBondContact CB-OG1 3.39Å; D474-T477 PolarHBondContact OD1-N 3.12Å; D474-T477 WeakPolarHBondContact OD2-CB 3.49Å; D474-T477 VanDerWaalsContact OD2-CG2 3.26Å; D474-T477 WeakPolarHBondContact OD2-CG2 3.27Å; D474-T477 PolarHBondContact OD2-OG1 2.71Å; D474-N478 CarbonylContact O-C 3.6Å; D474-N478 WeakPolarHBondContact O-CA 3.35Å; D474-N478 PolarHBondContact O-N 2.78Å; D474-K479 PolarHBondContact N-O 3.41Å; D474-K479 PolarHBondContact O-N 2.89Å; D474-L481 HydrophobicContact CB-CD1 3.82Å; D474-L481 HydrophobicContact CB-CD2 4.26Å; D474-L481 HydrophobicContact CB-CG 4.02Å; D474-N557 PolarHBondContact OD1-ND2 3.49Å; D474-N557 PolarHBondContact OD2-ND2 2.86Å
475F87.5Confident92Very high44 Ų4440.3 Ų40.319%0.19322%0.221CC..THydrogen-bonded Turntrans-76-15.2178.4-73.7-85000113.2I473 N478 I522 W524 I527 I553 K555I473-F475 HydrophobicContact CB-CD2 4.33Å; I473-F475 HydrophobicContact CB-CE2 3.91Å; I473-F475 HydrophobicContact CB-CZ 4.28Å; I473-F475 HydrophobicContact CD1-CZ 4.37Å; I473-F475 HydrophobicContact CG2-CD1 4.3Å; I473-F475 HydrophobicContact CG2-CD2 3.91Å; I473-F475 HydrophobicContact CG2-CE1 4.2Å; I473-F475 HydrophobicContact CG2-CE2 3.79Å; I473-F475 HydrophobicContact CG2-CG 4.17Å; I473-F475 HydrophobicContact CG2-CZ 3.94Å; F475-N478 PolarHBondContact O-OD1 3.02Å; F475-I522 WeakPolarHBondContact CD1-O 3.36Å; F475-I522 HydrophobicContact CE1-CG2 4.5Å; F475-W524 HydrophobicContact CE2-CB 4.41Å; F475-W524 HydrophobicContact CZ-CB 3.92Å; F475-I527 HydrophobicContact CE1-CG1 4.4Å; F475-I527 HydrophobicContact CZ-CG1 4.48Å; F475-I553 HydrophobicContact CE2-CG2 4.06Å; F475-I553 HydrophobicContact CZ-CG2 4.29Å; F475-K555 HydrophobicContact CD2-CD 4.42Å; F475-K555 HydrophobicContact CD2-CG 3.89Å; F475-K555 HydrophobicContact CE2-CD 4.43Å; F475-K555 HydrophobicContact CE2-CG 3.76Å
476N85.7Confident92Very high126 Ų12640.9 Ų40.967%0.67422%0.224SC*.THydrogen-bonded Turntrans-74.7-38.3174.2-65.6-21.5000111.1D474 N557D474-N476 VanDerWaalsContact C-N 3.31Å; D474-N476 WeakPolarHBondContact OD1-CB 3.12Å; D474-N476 PolarHBondContact OD1-N 2.81Å; N476-N557 WeakPolarHBondContact ND2-CB 3.47Å; N476-N557 PolarHBondContact ND2-ND2 2.68Å
477T88.5Confident91.9Very high73 Ų7343 Ų4345%0.44823%0.234SC..THydrogen-bonded Turntrans-98.3-4.3177.362.80000113.2D474 K479D474-T477 WeakPolarHBondContact CB-OG1 3.39Å; D474-T477 PolarHBondContact OD1-N 3.12Å; D474-T477 WeakPolarHBondContact OD2-CB 3.49Å; D474-T477 VanDerWaalsContact OD2-CG2 3.26Å; D474-T477 WeakPolarHBondContact OD2-CG2 3.27Å; D474-T477 PolarHBondContact OD2-OG1 2.71Å; T477-K479 PolarHBondContact O-N 3.24Å
478N88.2Confident91.7Very high25 Ų2543.1 Ų43.113%0.13424%0.235CC..THydrogen-bonded Turntrans48.343.7-169.9-75.2-43.3000112.9D474 F475 L516 K520D474-N478 CarbonylContact O-C 3.6Å; D474-N478 WeakPolarHBondContact O-CA 3.35Å; D474-N478 PolarHBondContact O-N 2.78Å; F475-N478 PolarHBondContact O-OD1 3.02Å; N478-L516 HydrophobicContact CB-CB 4.47Å; N478-L516 HydrophobicContact CB-CD2 4.44Å; N478-K520 WeakPolarHBondContact ND2-CA 3.31Å; N478-K520 PolarHBondContact ND2-O 3.27Å
479K90.4Very high91.4Very high134 Ų13449 Ų4958%0.58326%0.255SS*.EExtended strand (participates in β ladder)trans-112.9134.5179.9-70.7-175.1179.3-179.70111.9I473 D474 T477 L481I473-K479 WeakPolarHBondContact CA-O 3.42Å; D474-K479 PolarHBondContact N-O 3.41Å; D474-K479 PolarHBondContact O-N 2.89Å; T477-K479 PolarHBondContact O-N 3.24Å; K479-L481 PolarHBondContact O-N 3.41Å
480L92.3Very high91Very high35 Ų3552.2 Ų52.218%0.18329%0.288CS..EExtended strand (participates in β ladder)trans-73.3109.8163.9-178.867.9000108.5V471 I473 S482 K509 V512 I513 L516V471-L480 HydrophobicContact CB-CD1 3.83Å; V471-L480 HydrophobicContact CG1-CD1 4.05Å; I473-L480 HydrophobicContact CG1-CD1 3.89Å; L480-S482 WeakPolarHBondContact CD1-O 3.44Å; L480-K509 HydrophobicContact CD2-CG 4.01Å; L480-V512 HydrophobicContact CD1-CG1 4.28Å; L480-I513 HydrophobicContact CB-CG1 4.39Å; L480-I513 HydrophobicContact CD2-CD1 4.44Å; L480-I513 HydrophobicContact CD2-CG1 4.2Å; L480-L516 HydrophobicContact CB-CD1 4.17Å
481L91.9Very high90.6Very high94 Ų9451.2 Ų51.249%0.49228%0.281SS..EExtended strand (participates in β ladder)trans-84.4-40-177.6-63.1178000112.5S472 D474 K479 V556S472-L481 PolarHBondContact O-N 3.05Å; D474-L481 HydrophobicContact CB-CD1 3.82Å; D474-L481 HydrophobicContact CB-CD2 4.26Å; D474-L481 HydrophobicContact CB-CG 4.02Å; K479-L481 PolarHBondContact O-N 3.41Å; L481-V556 HydrophobicContact CD1-CB 3.79Å; L481-V556 HydrophobicContact CD1-CG1 4.08Å; L481-V556 HydrophobicContact CD1-CG2 3.49Å; L481-V556 VanDerWaalsContact CD1-CG2 3.49Å
482S92.2Very high90Very high62 Ų6252.6 Ų52.643%0.43429%0.29SS..EExtended strand (participates in β ladder)trans-150159179.9-167.70000111.6S472 L480S472-S482 PolarHBondContact N-O 2.87Å; S472-S482 PolarHBondContact O-N 2.98Å; L480-S482 WeakPolarHBondContact CD1-O 3.44Å
483G90.1Very high89Confident19 Ų1957.6 Ų57.620%0.19631%0.306CS..EExtended strand (participates in β ladder)trans83.5-168.8-175.700000114
484P93.8Very high88Confident5 Ų560.9 Ų60.93%0.03232%0.322CS..EExtended strand (participates in β ladder)cis-73.4125.50.929.4-34.2000113.1V469 V470 V471 Q505 I508 K509V469-P484 HydrophobicContact CG1-CB 3.9Å; V470-P484 CarbonylContact O-C 3.53Å; V470-P484 WeakPolarHBondContact O-CA 3.48Å; V471-P484 HydrophobicContact CG1-CB 3.69Å; P484-Q505 HydrophobicContact CG-CB 4.33Å; P484-Q505 VanDerWaalsContact CG-O 3.28Å; P484-Q505 WeakPolarHBondContact CG-O 3.4Å; P484-Q505 WeakPolarHBondContact O-CG 3.39Å; P484-Q505 PolarHBondContact O-NE2 2.79Å; P484-I508 HydrophobicContact CB-CB 4.32Å; P484-I508 HydrophobicContact CB-CG2 3.77Å; P484-I508 HydrophobicContact CG-CB 3.98Å; P484-I508 HydrophobicContact CG-CG2 3.82Å; P484-K509 HydrophobicContact CG-CB 4.07Å
485D93.4Very high86.9Confident83 Ų8370.3 Ų70.344%0.44436%0.356SS..EExtended strand (participates in β ladder)trans-95128.6170.8-68.6-41.2000109.8V469 V470V469-D485 CarbonylContact C-O 3.28Å; V469-D485 WeakPolarHBondContact CA-O 3.41Å; V470-D485 HydrophobicContact CB-CB 4.45Å; V470-D485 PolarHBondContact N-O 3.01Å; V470-D485 PolarHBondContact O-N 3.47Å
486I92Very high86.3Confident14 Ų1475.8 Ų75.87%0.07238%0.383CS..EExtended strand (participates in β ladder)trans-110.3123.4-177.3-59.9-177.6000110V467 I468 V469 I501 A504 Q505 I508V467-I486 HydrophobicContact CG1-CG2 3.51Å; I468-I486 WeakPolarHBondContact O-CA 3.47Å; V469-I486 HydrophobicContact CG2-CG1 4.36Å; I486-I501 HydrophobicContact CB-CG2 3.95Å; I486-I501 HydrophobicContact CD1-CG2 4.37Å; I486-I501 HydrophobicContact CG2-CD1 4Å; I486-I501 HydrophobicContact CG2-CG2 4.27Å; I486-A504 HydrophobicContact CD1-CB 3.69Å; I486-Q505 HydrophobicContact CB-CG 4.43Å; I486-Q505 HydrophobicContact CD1-CB 4.45Å; I486-Q505 HydrophobicContact CD1-CG 3.58Å; I486-Q505 HydrophobicContact CG1-CG 3.73Å; I486-I508 HydrophobicContact CD1-CD1 3.92Å
487I91.2Very high86.1Confident75 Ų7571 Ų7139%0.38536%0.359SS..EExtended strand (participates in β ladder)trans-117.1123.4175.5-56.2168.8000108.2V467 I468V467-I487 CarbonylContact C-O 3.54Å; V467-I487 WeakPolarHBondContact CA-O 3.44Å; I468-I487 HydrophobicContact CB-CB 4.34Å; I468-I487 PolarHBondContact N-O 3.1Å; I468-I487 PolarHBondContact O-N 3.24Å
488S90.1Very high85.7Confident4 Ų469.7 Ų69.73%0.02836%0.36CS..EExtended strand (participates in β ladder)trans-109.2143.8178.4173.60000111.7L466 V492 M494L466-S488 WeakPolarHBondContact O-CA 3.42Å; S488-V492 PolarHBondContact OG-N 3.28Å; S488-V492 PolarHBondContact OG-O 3Å; S488-M494 WeakPolarHBondContact CB-SD 3.4Å
489R89.9Confident85.7Confident167 Ų16774.3 Ų74.363%0.6338%0.381SS*.EExtended strand (participates in β ladder)trans-139.6127169.6-69.2-65.3-177.3-89.82109.5G465 L466 F491G465-R489 WeakPolarHBondContact CA-O 3.49Å; L466-R489 PolarHBondContact N-O 3.42Å; L466-R489 PolarHBondContact O-N 3.22Å; R489-F491 PolarHBondContact O-N 2.94Å
490G87.1Confident85.6Confident67 Ų6769.2 Ų69.269%0.69136%0.36SS*.SBendtrans69.7-5.6177.300000116.5R545G490-R545 PolarHBondContact O-NH2 3.28Å
491F86.6Confident85.4Confident10 Ų1068.1 Ų68.14%0.04435%0.354CS..SBendtrans-94.3-67.6-179.5171.6-121.3000112.3V467 R489 L539 T543 R545 P547V467-F491 HydrophobicContact CG2-CB 4.25Å; V467-F491 HydrophobicContact CG2-CD1 3.4Å; V467-F491 VanDerWaalsContact CG2-CD1 3.4Å; V467-F491 HydrophobicContact CG2-CE1 4.03Å; V467-F491 HydrophobicContact CG2-CG 4.02Å; R489-F491 PolarHBondContact O-N 2.94Å; F491-L539 HydrophobicContact CE1-CD1 3.88Å; F491-L539 HydrophobicContact CE1-CD2 3.83Å; F491-L539 HydrophobicContact CE1-CG 4.29Å; F491-L539 HydrophobicContact CZ-CB 4.03Å; F491-L539 HydrophobicContact CZ-CD1 4.12Å; F491-L539 HydrophobicContact CZ-CD2 4.04Å; F491-L539 HydrophobicContact CZ-CG 4.28Å; F491-T543 HydrophobicContact CE2-CG2 4.33Å; F491-T543 HydrophobicContact CZ-CG2 3.78Å; F491-R545 HydrophobicContact CD2-CB 4.39Å; F491-R545 HydrophobicContact CE2-CB 3.84Å; F491-R545 PolarHBondContact O-NH1 3.21Å; F491-P547 HydrophobicContact CB-CB 4.07Å; F491-P547 HydrophobicContact CD1-CB 4.29Å; F491-P547 HydrophobicContact CD1-CG 4.04Å; F491-P547 HydrophobicContact CD2-CB 3.63Å; F491-P547 HydrophobicContact CD2-CG 3.62Å; F491-P547 HydrophobicContact CE1-CG 4.03Å; F491-P547 HydrophobicContact CE2-CB 4.14Å; F491-P547 HydrophobicContact CE2-CG 3.59Å; F491-P547 HydrophobicContact CG-CB 3.73Å; F491-P547 HydrophobicContact CG-CG 3.86Å; F491-P547 HydrophobicContact CZ-CG 3.81Å
492V82.4Confident85.3Confident30 Ų3069.3 Ų69.318%0.18235%0.353CS..  trans-131.2148.1178.1-66.70000111.7S488 M494 L500 I501 T543S488-V492 PolarHBondContact OG-N 3.28Å; S488-V492 PolarHBondContact OG-O 3Å; V492-M494 PolarHBondContact O-N 3.11Å; V492-M494 VanDerWaalsContact O-N 3.11Å; V492-L500 HydrophobicContact CG1-CD2 4.16Å; V492-L500 HydrophobicContact CG2-CD2 4.49Å; V492-I501 HydrophobicContact CG2-CD1 4.31Å; V492-T543 HydrophobicContact CG1-CG2 4.33Å
493Y74.9Confident85.3Confident126 Ų12668.7 Ų68.749%0.49435%0.345SS..  trans-73.8102.8174.4-170.1-124.6000109.7R495 E496 S497Y493-R495 HydrophobicContact CD1-CB 4.09Å; Y493-R495 HydrophobicContact CE1-CB 3.66Å; Y493-R495 HydrophobicContact CE1-CG 4.22Å; Y493-R495 PolarHBondContact O-N 3.07Å; Y493-R495 WeakPolarHBondContact OH-CD 3.36Å; Y493-R495 PolarHBondContact OH-NH1 3.44Å; Y493-E496 HydrophobicContact CD1-CB 4.13Å; Y493-E496 HydrophobicContact CD1-CG 3.75Å; Y493-E496 HydrophobicContact CE1-CG 4.22Å; Y493-E496 PolarHBondContact O-N 2.9Å; Y493-S497 PolarHBondContact O-N 3.34Å; Y493-S497 PolarHBondContact O-OG 2.98Å
494M69.4Low85.4Confident68 Ų6867.9 Ų67.934%0.33534%0.336SS..THydrogen-bonded Turntrans-54.2-30.7-171.3-71.3-66.3-71.600114.1S488 V492 E496 I501S488-M494 WeakPolarHBondContact CB-SD 3.4Å; V492-M494 PolarHBondContact O-N 3.11Å; V492-M494 VanDerWaalsContact O-N 3.11Å; M494-E496 VanDerWaalsContact C-N 3.31Å; M494-E496 PolarHBondContact O-N 3.41Å; M494-I501 HydrophobicContact CE-CD1 4.32Å; M494-I501 HydrophobicContact CE-CG1 3.95Å; M494-I501 HydrophobicContact CE-CG2 4.1Å; M494-I501 HydrophobicContact SD-CD1 3.86Å; M494-I501 HydrophobicContact SD-CG1 3.79Å
495R66.8Low85.4Confident215 Ų21570.1 Ų70.181%0.81135%0.346SS*.THydrogen-bonded Turntrans-69.6-28.4-179.5-64.5-170.9179.7164.9-7.1113.2Y493Y493-R495 HydrophobicContact CD1-CB 4.09Å; Y493-R495 HydrophobicContact CE1-CB 3.66Å; Y493-R495 HydrophobicContact CE1-CG 4.22Å; Y493-R495 PolarHBondContact O-N 3.07Å; Y493-R495 WeakPolarHBondContact OH-CD 3.36Å; Y493-R495 PolarHBondContact OH-NH1 3.44Å
496E76.3Confident85.5Confident159 Ų15973.2 Ų73.274%0.74335%0.351SS*.THydrogen-bonded Turntrans-101.4-16-179.3-70.8169.3-166.200112.1Y493 M494Y493-E496 HydrophobicContact CD1-CB 4.13Å; Y493-E496 HydrophobicContact CD1-CG 3.75Å; Y493-E496 HydrophobicContact CE1-CG 4.22Å; Y493-E496 PolarHBondContact O-N 2.9Å; M494-E496 VanDerWaalsContact C-N 3.31Å; M494-E496 PolarHBondContact O-N 3.41Å
497S80.7Confident85.6Confident27 Ų2777.4 Ų77.419%0.18937%0.369CS..  trans-102.822.9-176-57.60000114Y493 Q499 L500 I501Y493-S497 PolarHBondContact O-N 3.34Å; Y493-S497 PolarHBondContact O-OG 2.98Å; S497-Q499 VanDerWaalsContact C-N 3.33Å; S497-Q499 PolarHBondContact O-N 2.97Å; S497-L500 WeakPolarHBondContact O-CB 3.43Å; S497-L500 PolarHBondContact O-N 3.18Å; S497-I501 WeakPolarHBondContact O-CG1 3.16Å; S497-I501 PolarHBondContact O-N 3.3Å; S497-I501 VanDerWaalsContact O-N 3.14Å
498G80.8Confident85.7Confident44 Ų4473.9 Ų73.945%0.45435%0.351SS..Hα-helixtrans-54.8-43.8-174.800000113.8I501 Y502G498-I501 PolarHBondContact O-N 2.86Å; G498-Y502 WeakPolarHBondContact O-CB 3.35Å; G498-Y502 PolarHBondContact O-N 3.37Å
499Q87Confident85.9Confident122 Ų12278.7 Ų78.757%0.5737%0.371SS*.Hα-helixtrans-65.9-44.3179.2-173.16041.200112.4S497 I501 Y502 D503S497-Q499 VanDerWaalsContact C-N 3.33Å; S497-Q499 PolarHBondContact O-N 2.97Å; Q499-I501 VanDerWaalsContact C-N 3.28Å; Q499-I501 PolarHBondContact O-N 3.26Å; Q499-Y502 PolarHBondContact O-N 3.05Å; Q499-D503 VanDerWaalsContact NE2-CG 3.26Å; Q499-D503 PolarHBondContact NE2-OD1 3.4Å; Q499-D503 VanDerWaalsContact NE2-OD1 3.1Å; Q499-D503 PolarHBondContact NE2-OD2 2.96Å; Q499-D503 WeakPolarHBondContact O-CB 3.5Å; Q499-D503 PolarHBondContact O-N 3.4Å
500L88.6Confident86.1Confident28 Ų2875.5 Ų75.515%0.14737%0.371CS..Hα-helixtrans-55.4-46.9177.2175.772000110.8V492 S497 A504 Y538 K542 T543V492-L500 HydrophobicContact CG1-CD2 4.16Å; V492-L500 HydrophobicContact CG2-CD2 4.49Å; S497-L500 WeakPolarHBondContact O-CB 3.43Å; S497-L500 PolarHBondContact O-N 3.18Å; L500-A504 WeakPolarHBondContact O-CB 3.36Å; L500-A504 PolarHBondContact O-N 2.93Å; L500-Y538 HydrophobicContact CD1-CE1 3.74Å; L500-Y538 HydrophobicContact CG-CE1 4.48Å; L500-Y538 WeakPolarHBondContact O-CE1 3.4Å; L500-Y538 PolarHBondContact O-OH 3.34Å; L500-K542 HydrophobicContact CD1-CB 3.49Å; L500-K542 VanDerWaalsContact CD1-CB 3.49Å; L500-K542 HydrophobicContact CD1-CG 3.76Å; L500-T543 HydrophobicContact CD2-CG2 3.91Å
501I88.1Confident86.4Confident12 Ų1274 Ų746%0.06235%0.347CS..Hα-helixtrans-69.1-43.1-179.4-62-63.7000111.1I486 V492 M494 S497 G498 Q499 D503 A504 Q505I486-I501 HydrophobicContact CB-CG2 3.95Å; I486-I501 HydrophobicContact CD1-CG2 4.37Å; I486-I501 HydrophobicContact CG2-CD1 4Å; I486-I501 HydrophobicContact CG2-CG2 4.27Å; V492-I501 HydrophobicContact CG2-CD1 4.31Å; M494-I501 HydrophobicContact CE-CD1 4.32Å; M494-I501 HydrophobicContact CE-CG1 3.95Å; M494-I501 HydrophobicContact CE-CG2 4.1Å; M494-I501 HydrophobicContact SD-CD1 3.86Å; M494-I501 HydrophobicContact SD-CG1 3.79Å; S497-I501 WeakPolarHBondContact O-CG1 3.16Å; S497-I501 PolarHBondContact O-N 3.3Å; S497-I501 VanDerWaalsContact O-N 3.14Å; G498-I501 PolarHBondContact O-N 2.86Å; Q499-I501 VanDerWaalsContact C-N 3.28Å; Q499-I501 PolarHBondContact O-N 3.26Å; I501-D503 VanDerWaalsContact C-N 3.32Å; I501-D503 PolarHBondContact O-N 3Å; I501-A504 WeakPolarHBondContact O-CB 3.41Å; I501-A504 PolarHBondContact O-N 3.34Å; I501-Q505 HydrophobicContact CG2-CG 4.37Å; I501-Q505 WeakPolarHBondContact O-CG 3.39Å; I501-Q505 PolarHBondContact O-N 3.48Å
502Y90.2Very high86.7Confident119 Ų11973.6 Ų73.647%0.46735%0.345SS..Hα-helixtrans-58.7-45.1177178.2-102.6000111.9G498 Q499 Q505 R506G498-Y502 WeakPolarHBondContact O-CB 3.35Å; G498-Y502 PolarHBondContact O-N 3.37Å; Q499-Y502 PolarHBondContact O-N 3.05Å; Y502-Q505 WeakPolarHBondContact O-CB 3.46Å; Y502-Q505 PolarHBondContact O-N 3.33Å; Y502-R506 VanDerWaalsContact CE1-CD 3.45Å; Y502-R506 HydrophobicContact CE1-CG 4.2Å; Y502-R506 WeakPolarHBondContact O-CG 3.27Å; Y502-R506 PolarHBondContact O-N 3.47Å
503D92Very high87.2Confident49 Ų4975.2 Ų75.226%0.26235%0.352SS..Hα-helixtrans-68-37177.9-71.7-27.2000112Q499 I501 R506 K507 Y538Q499-D503 VanDerWaalsContact NE2-CG 3.26Å; Q499-D503 PolarHBondContact NE2-OD1 3.4Å; Q499-D503 VanDerWaalsContact NE2-OD1 3.1Å; Q499-D503 PolarHBondContact NE2-OD2 2.96Å; Q499-D503 WeakPolarHBondContact O-CB 3.5Å; Q499-D503 PolarHBondContact O-N 3.4Å; I501-D503 VanDerWaalsContact C-N 3.32Å; I501-D503 PolarHBondContact O-N 3Å; D503-R506 PolarHBondContact O-N 3.4Å; D503-K507 WeakPolarHBondContact O-CG 3.22Å; D503-K507 PolarHBondContact O-N 3.06Å; D503-Y538 WeakPolarHBondContact CB-OH 3.48Å
504A92.8Very high88Confident1 Ų171.4 Ų71.41%0.00834%0.344CS..Hα-helixtrans-59.9-47.6170.300000111.8I486 L500 I501 R506 K507 I508 L535 Y538I486-A504 HydrophobicContact CD1-CB 3.69Å; L500-A504 WeakPolarHBondContact O-CB 3.36Å; L500-A504 PolarHBondContact O-N 2.93Å; I501-A504 WeakPolarHBondContact O-CB 3.41Å; I501-A504 PolarHBondContact O-N 3.34Å; A504-R506 VanDerWaalsContact C-N 3.32Å; A504-R506 PolarHBondContact O-N 3.03Å; A504-K507 PolarHBondContact O-N 3.25Å; A504-I508 WeakPolarHBondContact O-CG1 3.39Å; A504-I508 PolarHBondContact O-N 3.17Å; A504-L535 HydrophobicContact CB-CD1 3.56Å; A504-Y538 HydrophobicContact CB-CD1 4.04Å; A504-Y538 HydrophobicContact CB-CE1 3.74Å
505Q93.8Very high89Confident53 Ų5372 Ų7225%0.24834%0.344CS..Hα-helixtrans-58.9-44.5177.4-74.4-179.9-5900111.2P484 I486 I501 Y502 K509P484-Q505 HydrophobicContact CG-CB 4.33Å; P484-Q505 VanDerWaalsContact CG-O 3.28Å; P484-Q505 WeakPolarHBondContact CG-O 3.4Å; P484-Q505 WeakPolarHBondContact O-CG 3.39Å; P484-Q505 PolarHBondContact O-NE2 2.79Å; I486-Q505 HydrophobicContact CB-CG 4.43Å; I486-Q505 HydrophobicContact CD1-CB 4.45Å; I486-Q505 HydrophobicContact CD1-CG 3.58Å; I486-Q505 HydrophobicContact CG1-CG 3.73Å; I501-Q505 HydrophobicContact CG2-CG 4.37Å; I501-Q505 WeakPolarHBondContact O-CG 3.39Å; I501-Q505 PolarHBondContact O-N 3.48Å; Y502-Q505 WeakPolarHBondContact O-CB 3.46Å; Y502-Q505 PolarHBondContact O-N 3.33Å; Q505-K509 WeakPolarHBondContact O-CB 3.27Å; Q505-K509 PolarHBondContact O-N 3.05Å
506R94.3Very high90.1Very high148 Ų14862 Ų6256%0.55831%0.307SS*.Hα-helixtrans-61.5-47.7176.7-74.3-171.968.2-166.63.5112Y502 D503 A504 K509 T510Y502-R506 VanDerWaalsContact CE1-CD 3.45Å; Y502-R506 HydrophobicContact CE1-CG 4.2Å; Y502-R506 WeakPolarHBondContact O-CG 3.27Å; Y502-R506 PolarHBondContact O-N 3.47Å; D503-R506 PolarHBondContact O-N 3.4Å; A504-R506 VanDerWaalsContact C-N 3.32Å; A504-R506 PolarHBondContact O-N 3.03Å; R506-K509 PolarHBondContact O-N 3.43Å; R506-T510 PolarHBondContact O-N 3.43Å; R506-T510 PolarHBondContact O-OG1 3.28Å
507K93.7Very high90.8Very high102 Ų10260.3 Ų60.344%0.44330%0.303SS..Hα-helixtrans-58.2-49.7178.3-78.1174.6174-75.20111.5D503 A504 K509 T510 D511 T534 Y538D503-K507 WeakPolarHBondContact O-CG 3.22Å; D503-K507 PolarHBondContact O-N 3.06Å; A504-K507 PolarHBondContact O-N 3.25Å; K507-K509 PolarHBondContact O-N 3.37Å; K507-T510 PolarHBondContact O-N 3.39Å; K507-D511 WeakPolarHBondContact O-CB 3.42Å; K507-D511 PolarHBondContact O-N 3.14Å; K507-T534 HydrophobicContact CB-CG2 4.07Å; K507-Y538 HydrophobicContact CD-CD1 4.45Å; K507-Y538 HydrophobicContact CD-CD2 3.64Å; K507-Y538 HydrophobicContact CD-CE2 4Å; K507-Y538 HydrophobicContact CD-CG 3.86Å; K507-Y538 VanDerWaalsContact CE-CD2 3.45Å
508I94.6Very high91.2Very high0 Ų065.5 Ų65.50%032%0.324CS..Hα-helixtrans-61.4-45.8177.8-68.1161.7000110.8V469 P484 I486 A504 T510 D511 V512 I531 L535V469-I508 HydrophobicContact CG1-CD1 4.04Å; V469-I508 HydrophobicContact CG1-CG2 4.35Å; V469-I508 HydrophobicContact CG2-CD1 4.14Å; P484-I508 HydrophobicContact CB-CB 4.32Å; P484-I508 HydrophobicContact CB-CG2 3.77Å; P484-I508 HydrophobicContact CG-CB 3.98Å; P484-I508 HydrophobicContact CG-CG2 3.82Å; I486-I508 HydrophobicContact CD1-CD1 3.92Å; A504-I508 WeakPolarHBondContact O-CG1 3.39Å; A504-I508 PolarHBondContact O-N 3.17Å; I508-T510 VanDerWaalsContact C-N 3.33Å; I508-T510 PolarHBondContact O-N 2.84Å; I508-D511 PolarHBondContact O-N 2.93Å; I508-V512 HydrophobicContact CG2-CG2 3.9Å; I508-V512 WeakPolarHBondContact O-CB 3.5Å; I508-V512 VanDerWaalsContact O-CG2 3.27Å; I508-V512 WeakPolarHBondContact O-CG2 3.3Å; I508-V512 PolarHBondContact O-N 3.29Å; I508-I531 HydrophobicContact CD1-CG2 4.41Å; I508-I531 HydrophobicContact CG2-CG1 3.96Å; I508-I531 HydrophobicContact CG2-CG2 4.45Å; I508-L535 HydrophobicContact CD1-CB 4.11Å; I508-L535 HydrophobicContact CD1-CD1 3.9Å; I508-L535 HydrophobicContact CD1-CD2 3.91Å; I508-L535 HydrophobicContact CD1-CG 4.18Å; I508-L535 HydrophobicContact CG1-CB 4.33Å
509K94.7Very high91.3Very high106 Ų10666.3 Ų66.346%0.46132%0.318SS..Hα-helixtrans-58.7-46.5-179.2-172.6173.5-176.9172.30111.4L480 P484 Q505 R506 K507 I513L480-K509 HydrophobicContact CD2-CG 4.01Å; P484-K509 HydrophobicContact CG-CB 4.07Å; Q505-K509 WeakPolarHBondContact O-CB 3.27Å; Q505-K509 PolarHBondContact O-N 3.05Å; R506-K509 PolarHBondContact O-N 3.43Å; K507-K509 PolarHBondContact O-N 3.37Å; K509-I513 HydrophobicContact CG-CD1 3.81Å; K509-I513 WeakPolarHBondContact O-CB 3.49Å; K509-I513 WeakPolarHBondContact O-CD1 3.34Å; K509-I513 VanDerWaalsContact O-CG1 3.23Å; K509-I513 WeakPolarHBondContact O-CG1 3.38Å; K509-I513 PolarHBondContact O-N 3.4Å
510T94.3Very high91Very high100 Ų10068.9 Ų68.961%0.61333%0.328SS*.Hα-helixtrans-61.7-46.1177.9-64.50000111.5R506 K507 I508 S514R506-T510 PolarHBondContact O-N 3.43Å; R506-T510 PolarHBondContact O-OG1 3.28Å; K507-T510 PolarHBondContact O-N 3.39Å; I508-T510 VanDerWaalsContact C-N 3.33Å; I508-T510 PolarHBondContact O-N 2.84Å; T510-S514 WeakPolarHBondContact O-CB 3.29Å; T510-S514 PolarHBondContact O-N 2.76Å
511D92.8Very high90.8Very high36 Ų3673.7 Ų73.719%0.19335%0.353CS..Hα-helixtrans-65.7-47.5-178.9-175.247.3000112.2K507 I508 I513 S514 K515 S530 T534K507-D511 WeakPolarHBondContact O-CB 3.42Å; K507-D511 PolarHBondContact O-N 3.14Å; I508-D511 PolarHBondContact O-N 2.93Å; D511-I513 PolarHBondContact O-N 3.13Å; D511-S514 WeakPolarHBondContact O-CB 3.47Å; D511-S514 PolarHBondContact O-N 2.84Å; D511-S514 VanDerWaalsContact O-N 3.17Å; D511-K515 WeakPolarHBondContact O-CG 3.4Å; D511-K515 PolarHBondContact O-N 2.74Å; D511-S530 VanDerWaalsContact CG-OG 3.3Å; D511-S530 PolarHBondContact OD1-OG 3.34Å; D511-S530 WeakPolarHBondContact OD2-CB 3.49Å; D511-S530 PolarHBondContact OD2-OG 2.91Å; D511-T534 HydrophobicContact CB-CG2 4.25Å; D511-T534 PolarHBondContact OD2-OG1 3.29Å
512V92.6Very high90.7Very high0 Ų073.4 Ų73.40%035%0.352CS..Hα-helixtrans-59.6-46.7177.3171.30000111.4I473 L480 I508 S514 K515 L516 I527 I531I473-V512 HydrophobicContact CD1-CG1 4.14Å; L480-V512 HydrophobicContact CD1-CG1 4.28Å; I508-V512 HydrophobicContact CG2-CG2 3.9Å; I508-V512 WeakPolarHBondContact O-CB 3.5Å; I508-V512 VanDerWaalsContact O-CG2 3.27Å; I508-V512 WeakPolarHBondContact O-CG2 3.3Å; I508-V512 PolarHBondContact O-N 3.29Å; V512-S514 VanDerWaalsContact C-N 3.33Å; V512-S514 PolarHBondContact O-N 2.72Å; V512-K515 PolarHBondContact O-N 3.21Å; V512-L516 HydrophobicContact CG1-CD1 3.93Å; V512-L516 HydrophobicContact CG1-CG 4.43Å; V512-L516 WeakPolarHBondContact O-CB 3.42Å; V512-L516 VanDerWaalsContact O-CG 3.27Å; V512-L516 WeakPolarHBondContact O-CG 3.12Å; V512-L516 PolarHBondContact O-N 2.85Å; V512-I527 HydrophobicContact CG1-CG2 4.35Å; V512-I527 HydrophobicContact CG2-CG2 4.3Å; V512-I531 HydrophobicContact CG2-CD1 4.28Å; V512-I531 HydrophobicContact CG2-CG1 3.85Å
513I92.9Very high90.5Very high65 Ų6572.4 Ų72.433%0.33335%0.351SS..Hα-helixtrans-63.2-41177.2-68.9170.4000110.9L480 K509 D511 L516 N517L480-I513 HydrophobicContact CB-CG1 4.39Å; L480-I513 HydrophobicContact CD2-CD1 4.44Å; L480-I513 HydrophobicContact CD2-CG1 4.2Å; K509-I513 HydrophobicContact CG-CD1 3.81Å; K509-I513 WeakPolarHBondContact O-CB 3.49Å; K509-I513 WeakPolarHBondContact O-CD1 3.34Å; K509-I513 VanDerWaalsContact O-CG1 3.23Å; K509-I513 WeakPolarHBondContact O-CG1 3.38Å; K509-I513 PolarHBondContact O-N 3.4Å; D511-I513 PolarHBondContact O-N 3.13Å; I513-L516 PolarHBondContact O-N 3.17Å; I513-N517 WeakPolarHBondContact O-CB 3.48Å; I513-N517 VanDerWaalsContact O-CG 3.29Å; I513-N517 PolarHBondContact O-N 3.28Å; I513-N517 PolarHBondContact O-ND2 3.3Å
514S92.3Very high90.3Very high46 Ų4675.1 Ų75.132%0.32236%0.358SS..Hα-helixtrans-59.9-47.4177.7-170.60000111.4T510 D511 V512 N517 Q518T510-S514 WeakPolarHBondContact O-CB 3.29Å; T510-S514 PolarHBondContact O-N 2.76Å; D511-S514 WeakPolarHBondContact O-CB 3.47Å; D511-S514 PolarHBondContact O-N 2.84Å; D511-S514 VanDerWaalsContact O-N 3.17Å; V512-S514 VanDerWaalsContact C-N 3.33Å; V512-S514 PolarHBondContact O-N 2.72Å; S514-N517 PolarHBondContact O-N 3.32Å; S514-Q518 VanDerWaalsContact O-CG 3.29Å; S514-Q518 WeakPolarHBondContact O-CG 3.3Å; S514-Q518 PolarHBondContact O-N 2.91Å; S514-Q518 PolarHBondContact OG-NE2 2.66Å
515K90Very high90.2Very high80 Ų8079.7 Ų79.735%0.34838%0.379SS..Hα-helixtrans-62.2-44.6177.7-72.3-66.1-174.8-177.80113D511 V512 N517 Q518 N519 I522 I527 S530D511-K515 WeakPolarHBondContact O-CG 3.4Å; D511-K515 PolarHBondContact O-N 2.74Å; V512-K515 PolarHBondContact O-N 3.21Å; K515-N517 VanDerWaalsContact C-N 3.26Å; K515-N517 PolarHBondContact O-N 3.46Å; K515-Q518 PolarHBondContact O-N 3.28Å; K515-N519 PolarHBondContact O-N 3.47Å; K515-I522 HydrophobicContact CB-CD1 3.64Å; K515-I527 HydrophobicContact CB-CD1 4.12Å; K515-S530 WeakPolarHBondContact CE-OG 3.4Å; K515-S530 WeakPolarHBondContact CG-OG 3.41Å
516L90.3Very high90Very high4 Ų481 Ų812%0.02139%0.385CS..Hα-helixtrans-60.3-35.3176.3-71.9170.9000112.4I473 N478 L480 V512 I513 I522 I527I473-L516 HydrophobicContact CD1-CD1 4.48Å; I473-L516 HydrophobicContact CG2-CD1 4.31Å; I473-L516 HydrophobicContact CG2-CD2 3.92Å; N478-L516 HydrophobicContact CB-CB 4.47Å; N478-L516 HydrophobicContact CB-CD2 4.44Å; L480-L516 HydrophobicContact CB-CD1 4.17Å; V512-L516 HydrophobicContact CG1-CD1 3.93Å; V512-L516 HydrophobicContact CG1-CG 4.43Å; V512-L516 WeakPolarHBondContact O-CB 3.42Å; V512-L516 VanDerWaalsContact O-CG 3.27Å; V512-L516 WeakPolarHBondContact O-CG 3.12Å; V512-L516 PolarHBondContact O-N 2.85Å; I513-L516 PolarHBondContact O-N 3.17Å; L516-I522 HydrophobicContact CD2-CG2 3.88Å; L516-I527 HydrophobicContact CD2-CD1 4.11Å; L516-I527 HydrophobicContact CG-CD1 4.21Å
517N90.3Very high89.9Confident124 Ų12474 Ų7466%0.66336%0.359SS*.Hα-helixtrans-78.5-30178.5-71.9-22.6000113.7I513 S514 K515I513-N517 WeakPolarHBondContact O-CB 3.48Å; I513-N517 VanDerWaalsContact O-CG 3.29Å; I513-N517 PolarHBondContact O-N 3.28Å; I513-N517 PolarHBondContact O-ND2 3.3Å; S514-N517 PolarHBondContact O-N 3.32Å; K515-N517 VanDerWaalsContact C-N 3.26Å; K515-N517 PolarHBondContact O-N 3.46Å
518Q88.5Confident89.9Confident137 Ų13772.5 Ų72.564%0.6435%0.352SS*.Hα-helixtrans-78.4-32.8-176.2-77.5173.61.200113.3S514 K515S514-Q518 VanDerWaalsContact O-CG 3.29Å; S514-Q518 WeakPolarHBondContact O-CG 3.3Å; S514-Q518 PolarHBondContact O-N 2.91Å; S514-Q518 PolarHBondContact OG-NE2 2.66Å; K515-Q518 PolarHBondContact O-N 3.28Å
519N84.1Confident89.9Confident60 Ų6075 Ų7532%0.32137%0.37SS..  trans-131.8113-176-178.58.1000110.5K515 D521 I522K515-N519 PolarHBondContact O-N 3.47Å; N519-D521 VanDerWaalsContact C-N 3.25Å; N519-D521 PolarHBondContact O-N 3.11Å; N519-D521 PolarHBondContact OD1-N 3.05Å; N519-I522 HydrophobicContact CB-CB 4.12Å; N519-I522 WeakPolarHBondContact O-CB 3.45Å; N519-I522 VanDerWaalsContact O-CG2 3.3Å; N519-I522 WeakPolarHBondContact O-CG2 3.24Å; N519-I522 PolarHBondContact O-N 3.07Å
520K79.3Confident89.7Confident177 Ų17770.2 Ų70.277%0.7735%0.35SS*.THydrogen-bonded Turntrans-68.3-24.9179-70.1-174.5178.4-179.40113.2N478N478-K520 WeakPolarHBondContact ND2-CA 3.31Å; N478-K520 PolarHBondContact ND2-O 3.27Å
521D84Confident89.8Confident128 Ų12865.5 Ų65.568%0.68432%0.321SS*.THydrogen-bonded Turntrans-102.922.2-178.2-57.2-44.7000112.1N519 Q523N519-D521 VanDerWaalsContact C-N 3.25Å; N519-D521 PolarHBondContact O-N 3.11Å; N519-D521 PolarHBondContact OD1-N 3.05Å; D521-Q523 PolarHBondContact O-N 3.41Å; D521-Q523 PolarHBondContact O-NE2 3.39Å
522I87Confident89.9Confident7 Ų766.4 Ų66.44%0.03633%0.325CS..  trans-60.5131.2-176.5-171.4158.5000111.9F475 K515 L516 N519 Q526 I527F475-I522 WeakPolarHBondContact CD1-O 3.36Å; F475-I522 HydrophobicContact CE1-CG2 4.5Å; K515-I522 HydrophobicContact CB-CD1 3.64Å; L516-I522 HydrophobicContact CD2-CG2 3.88Å; N519-I522 HydrophobicContact CB-CB 4.12Å; N519-I522 WeakPolarHBondContact O-CB 3.45Å; N519-I522 VanDerWaalsContact O-CG2 3.3Å; N519-I522 WeakPolarHBondContact O-CG2 3.24Å; N519-I522 PolarHBondContact O-N 3.07Å; I522-Q526 HydrophobicContact CD1-CB 4.44Å; I522-Q526 HydrophobicContact CG1-CB 4.08Å; I522-I527 HydrophobicContact CD1-CD1 3.47Å; I522-I527 VanDerWaalsContact CD1-CD1 3.47Å; I522-I527 HydrophobicContact CD1-CG1 4.18Å; I522-I527 HydrophobicContact CG1-CD1 4.06Å; I522-I527 HydrophobicContact CG1-CG1 4.26Å
523Q86.4Confident90Very high97 Ų9772.8 Ų72.845%0.45336%0.355SS..  trans-96151.3-177.7-62.1-60.6-45.200111.2D521 H525 Q526 I527D521-Q523 PolarHBondContact O-N 3.41Å; D521-Q523 PolarHBondContact O-NE2 3.39Å; Q523-H525 WeakPolarHBondContact CB-CE1 3.39Å; Q523-H525 WeakPolarHBondContact CB-ND1 3.35Å; Q523-H525 PolarHBondContact O-N 2.91Å; Q523-H525 VanDerWaalsContact O-N 3.11Å; Q523-Q526 VanDerWaalsContact N-OE1 3.07Å; Q523-Q526 WeakPolarHBondContact O-CB 3.43Å; Q523-Q526 PolarHBondContact O-N 3.32Å; Q523-I527 PolarHBondContact O-N 3.46Å
524W88.3Confident90Very high107 Ų10771.5 Ų71.541%0.40535%0.35SS..Hα-helixtrans-55.9-33-177.267-90.5000113.7F475 Q526 I527 K528 I553F475-W524 HydrophobicContact CE2-CB 4.41Å; F475-W524 HydrophobicContact CZ-CB 3.92Å; W524-Q526 VanDerWaalsContact C-N 3.32Å; W524-Q526 PolarHBondContact O-N 2.9Å; W524-I527 PolarHBondContact O-N 3Å; W524-K528 HydrophobicContact CE3-CD 3.85Å; W524-K528 VanDerWaalsContact CE3-CE 3.49Å; W524-K528 HydrophobicContact CE3-CG 4.12Å; W524-K528 HydrophobicContact CZ3-CD 3.66Å; W524-K528 VanDerWaalsContact CZ3-CE 3.42Å; W524-K528 HydrophobicContact CZ3-CG 4.38Å; W524-K528 VanDerWaalsContact CZ3-NZ 3.35Å; W524-K528 PolarHBondContact O-N 3.04Å; W524-K528 VanDerWaalsContact O-N 3.07Å; W524-I553 HydrophobicContact CB-CD1 4.31Å; W524-I553 VanDerWaalsContact O-CD1 3.22Å; W524-I553 WeakPolarHBondContact O-CD1 3.26Å
525H89.3Confident90.1Very high96 Ų9669.4 Ų69.444%0.44434%0.335SS..Hα-helixtrans-66.3-34.3178.362.8-94.6000112.1Q523 K528 S529Q523-H525 WeakPolarHBondContact CB-CE1 3.39Å; Q523-H525 WeakPolarHBondContact CB-ND1 3.35Å; Q523-H525 PolarHBondContact O-N 2.91Å; Q523-H525 VanDerWaalsContact O-N 3.11Å; H525-K528 PolarHBondContact O-N 3.16Å; H525-S529 PolarHBondContact O-N 3.07Å; H525-S529 PolarHBondContact O-OG 3.21Å
526Q90.5Very high90.3Very high81 Ų8169.3 Ų69.338%0.37934%0.336SS..Hα-helixtrans-67.3-38.5177.1-59.7179.2-56.900111I522 Q523 W524 S529 S530I522-Q526 HydrophobicContact CD1-CB 4.44Å; I522-Q526 HydrophobicContact CG1-CB 4.08Å; Q523-Q526 VanDerWaalsContact N-OE1 3.07Å; Q523-Q526 WeakPolarHBondContact O-CB 3.43Å; Q523-Q526 PolarHBondContact O-N 3.32Å; W524-Q526 VanDerWaalsContact C-N 3.32Å; W524-Q526 PolarHBondContact O-N 2.9Å; Q526-S529 PolarHBondContact O-N 3.11Å; Q526-S530 WeakPolarHBondContact O-CB 3.5Å; Q526-S530 PolarHBondContact O-N 3.28Å
527I92.3Very high90.5Very high0 Ų072.7 Ų72.70%036%0.358CS..Hα-helixtrans-64.4-43.4173.3-59.8-63.8000110.9I473 F475 V512 K515 L516 I522 Q523 W524 S529 S530 I531 I553I473-I527 HydrophobicContact CD1-CG1 4.36Å; I473-I527 HydrophobicContact CD1-CG2 3.83Å; F475-I527 HydrophobicContact CE1-CG1 4.4Å; F475-I527 HydrophobicContact CZ-CG1 4.48Å; V512-I527 HydrophobicContact CG1-CG2 4.35Å; V512-I527 HydrophobicContact CG2-CG2 4.3Å; K515-I527 HydrophobicContact CB-CD1 4.12Å; L516-I527 HydrophobicContact CD2-CD1 4.11Å; L516-I527 HydrophobicContact CG-CD1 4.21Å; I522-I527 HydrophobicContact CD1-CD1 3.47Å; I522-I527 VanDerWaalsContact CD1-CD1 3.47Å; I522-I527 HydrophobicContact CD1-CG1 4.18Å; I522-I527 HydrophobicContact CG1-CD1 4.06Å; I522-I527 HydrophobicContact CG1-CG1 4.26Å; Q523-I527 PolarHBondContact O-N 3.46Å; W524-I527 PolarHBondContact O-N 3Å; I527-S529 PolarHBondContact O-N 2.88Å; I527-S530 PolarHBondContact O-N 3.14Å; I527-I531 HydrophobicContact CG2-CD1 4.02Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 2.78Å; I527-I553 HydrophobicContact CB-CD1 3.68Å; I527-I553 HydrophobicContact CG2-CD1 3.6Å; I527-I553 HydrophobicContact CG2-CG1 4.42Å
528K93.5Very high90.7Very high71 Ų7167.6 Ų67.631%0.30933%0.33SS..Hα-helixtrans-58.7-47.2176.1-68.9-159.8-177173.40111.6W524 H525 S530 I531 I532 P551 I553W524-K528 HydrophobicContact CE3-CD 3.85Å; W524-K528 VanDerWaalsContact CE3-CE 3.49Å; W524-K528 HydrophobicContact CE3-CG 4.12Å; W524-K528 HydrophobicContact CZ3-CD 3.66Å; W524-K528 VanDerWaalsContact CZ3-CE 3.42Å; W524-K528 HydrophobicContact CZ3-CG 4.38Å; W524-K528 VanDerWaalsContact CZ3-NZ 3.35Å; W524-K528 PolarHBondContact O-N 3.04Å; W524-K528 VanDerWaalsContact O-N 3.07Å; H525-K528 PolarHBondContact O-N 3.16Å; K528-S530 PolarHBondContact O-N 2.83Å; K528-I531 PolarHBondContact O-N 2.83Å; K528-I532 WeakPolarHBondContact O-CG1 3.37Å; K528-I532 PolarHBondContact O-N 2.96Å; K528-I532 VanDerWaalsContact O-N 3.16Å; K528-P551 HydrophobicContact CB-CB 4.23Å; K528-P551 HydrophobicContact CB-CG 4.29Å; K528-P551 WeakPolarHBondContact CE-O 3.48Å; K528-P551 HydrophobicContact CG-CB 4.1Å; K528-I553 HydrophobicContact CG-CD1 3.57Å; K528-I553 HydrophobicContact CG-CG1 4.14Å
529S93.3Very high90.9Very high54 Ų5461.1 Ų61.138%0.37830%0.3SS..Hα-helixtrans-59.9-45.4176.7-61.60000111.7H525 Q526 I527 I531 I532 E533H525-S529 PolarHBondContact O-N 3.07Å; H525-S529 PolarHBondContact O-OG 3.21Å; Q526-S529 PolarHBondContact O-N 3.11Å; I527-S529 PolarHBondContact O-N 2.88Å; S529-I531 VanDerWaalsContact C-N 3.32Å; S529-I531 PolarHBondContact O-N 2.7Å; S529-I532 PolarHBondContact O-N 3.26Å; S529-I532 VanDerWaalsContact O-N 3.1Å; S529-E533 WeakPolarHBondContact O-CB 3.39Å; S529-E533 WeakPolarHBondContact O-CG 3.49Å; S529-E533 PolarHBondContact O-N 3.42Å
530S92.5Very high91.3Very high5 Ų562.8 Ų62.84%0.03530%0.304CS..Hα-helixtrans-57.5-43.6177.9-143.20000112.3D511 K515 Q526 I527 K528 I532 E533 T534D511-S530 VanDerWaalsContact CG-OG 3.3Å; D511-S530 PolarHBondContact OD1-OG 3.34Å; D511-S530 WeakPolarHBondContact OD2-CB 3.49Å; D511-S530 PolarHBondContact OD2-OG 2.91Å; K515-S530 WeakPolarHBondContact CE-OG 3.4Å; K515-S530 WeakPolarHBondContact CG-OG 3.41Å; Q526-S530 WeakPolarHBondContact O-CB 3.5Å; Q526-S530 PolarHBondContact O-N 3.28Å; I527-S530 PolarHBondContact O-N 3.14Å; K528-S530 PolarHBondContact O-N 2.83Å; S530-I532 PolarHBondContact O-N 3.35Å; S530-E533 PolarHBondContact O-N 2.91Å; S530-T534 VanDerWaalsContact O-CB 3.25Å; S530-T534 WeakPolarHBondContact O-CB 3.44Å; S530-T534 PolarHBondContact O-N 2.83Å; S530-T534 PolarHBondContact O-OG1 2.98Å
531I95Very high92Very high0 Ų060.7 Ų60.70%030%0.297CS..Hα-helixtrans-60.4-45.8176.7-67.6168.1000110.7V469 V471 I508 V512 I527 K528 S529 L535 P551V469-I531 HydrophobicContact CB-CG2 3.88Å; V469-I531 HydrophobicContact CG1-CG2 3.88Å; V469-I531 HydrophobicContact CG2-CG2 3.92Å; V471-I531 HydrophobicContact CG2-CD1 4.1Å; I508-I531 HydrophobicContact CD1-CG2 4.41Å; I508-I531 HydrophobicContact CG2-CG1 3.96Å; I508-I531 HydrophobicContact CG2-CG2 4.45Å; V512-I531 HydrophobicContact CG2-CD1 4.28Å; V512-I531 HydrophobicContact CG2-CG1 3.85Å; I527-I531 HydrophobicContact CG2-CD1 4.02Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 2.78Å; K528-I531 PolarHBondContact O-N 2.83Å; S529-I531 VanDerWaalsContact C-N 3.32Å; S529-I531 PolarHBondContact O-N 2.7Å; I531-L535 WeakPolarHBondContact O-CB 3.16Å; I531-L535 PolarHBondContact O-N 2.83Å; I531-P551 HydrophobicContact CB-CB 4.14Å; I531-P551 HydrophobicContact CB-CG 4.08Å; I531-P551 HydrophobicContact CD1-CB 3.91Å; I531-P551 HydrophobicContact CG2-CB 4.02Å; I531-P551 HydrophobicContact CG2-CG 3.92Å
532I95.3Very high92.3Very high55 Ų5560 Ų6028%0.28229%0.288SS..Hα-helixtrans-66.5-49.1-179.8-64.3168.4000110.5K528 S529 S530 T534 L535 Q536 I549 P551K528-I532 WeakPolarHBondContact O-CG1 3.37Å; K528-I532 PolarHBondContact O-N 2.96Å; K528-I532 VanDerWaalsContact O-N 3.16Å; S529-I532 PolarHBondContact O-N 3.26Å; S529-I532 VanDerWaalsContact O-N 3.1Å; S530-I532 PolarHBondContact O-N 3.35Å; I532-T534 VanDerWaalsContact C-N 3.31Å; I532-T534 PolarHBondContact O-N 3.42Å; I532-L535 PolarHBondContact O-N 2.88Å; I532-Q536 WeakPolarHBondContact O-CB 3.48Å; I532-Q536 PolarHBondContact O-N 3.1Å; I532-I549 HydrophobicContact CG1-CB 4.39Å; I532-I549 HydrophobicContact CG1-CG2 4.07Å; I532-P551 HydrophobicContact CD1-CG 3.91Å; I532-P551 HydrophobicContact CG1-CG 3.58Å
533E94.7Very high92.4Very high134 Ų13461.5 Ų61.563%0.62630%0.298SS*.Hα-helixtrans-64-33.4-177.9-72.7170.9-165.800112.7S529 S530 P537S529-E533 WeakPolarHBondContact O-CB 3.39Å; S529-E533 WeakPolarHBondContact O-CG 3.49Å; S529-E533 PolarHBondContact O-N 3.42Å; S530-E533 PolarHBondContact O-N 2.91Å; E533-P537 WeakPolarHBondContact O-CD 3.34Å; E533-P537 WeakPolarHBondContact O-CG 3.38Å
534T93.9Very high92.6Very high38 Ų3860.6 Ų60.623%0.23331%0.307CS..Hα-helixtrans-78.6-42.8175.6-70.20000111.9K507 D511 S530 I532K507-T534 HydrophobicContact CB-CG2 4.07Å; D511-T534 HydrophobicContact CB-CG2 4.25Å; D511-T534 PolarHBondContact OD2-OG1 3.29Å; S530-T534 VanDerWaalsContact O-CB 3.25Å; S530-T534 WeakPolarHBondContact O-CB 3.44Å; S530-T534 PolarHBondContact O-N 2.83Å; S530-T534 PolarHBondContact O-OG1 2.98Å; I532-T534 VanDerWaalsContact C-N 3.31Å; I532-T534 PolarHBondContact O-N 3.42Å
535L93.8Very high92.7Very high2 Ų259.3 Ų59.31%0.0130%0.302CS..Hα-helixtrans-81.7-39.3-171.6-176.462.8000112.6V467 V469 A504 I508 I531 I532 Y538 L539 I549V467-L535 HydrophobicContact CG1-CD2 3.98Å; V469-L535 HydrophobicContact CG2-CD2 3.64Å; A504-L535 HydrophobicContact CB-CD1 3.56Å; I508-L535 HydrophobicContact CD1-CB 4.11Å; I508-L535 HydrophobicContact CD1-CD1 3.9Å; I508-L535 HydrophobicContact CD1-CD2 3.91Å; I508-L535 HydrophobicContact CD1-CG 4.18Å; I508-L535 HydrophobicContact CG1-CB 4.33Å; I531-L535 WeakPolarHBondContact O-CB 3.16Å; I531-L535 PolarHBondContact O-N 2.83Å; I532-L535 PolarHBondContact O-N 2.88Å; L535-Y538 HydrophobicContact CD1-CD1 4.31Å; L535-Y538 PolarHBondContact O-N 3.05Å; L535-L539 HydrophobicContact CD1-CD1 3.95Å; L535-L539 HydrophobicContact CD1-CD2 4.1Å; L535-L539 HydrophobicContact CD1-CG 3.76Å; L535-L539 HydrophobicContact CD2-CD1 4.05Å; L535-L539 HydrophobicContact CG-CD1 3.71Å; L535-L539 HydrophobicContact CG-CG 3.93Å; L535-L539 WeakPolarHBondContact O-CG 3.28Å; L535-L539 PolarHBondContact O-N 3.3Å; L535-I549 HydrophobicContact CB-CD1 3.96Å; L535-I549 HydrophobicContact CD2-CD1 3.91Å; L535-I549 HydrophobicContact CD2-CG1 4.22Å; L535-I549 HydrophobicContact CD2-CG2 3.95Å; L535-I549 HydrophobicContact CG-CD1 3.83Å
536Q94.2Very high92.9Very high78 Ų7860.1 Ų60.136%0.36430%0.304SS..Hα-helixtrans-61.5-47.8-174.3-170.5171-7.800113.4I532 Y538 L539 F540 I549I532-Q536 WeakPolarHBondContact O-CB 3.48Å; I532-Q536 PolarHBondContact O-N 3.1Å; Q536-Y538 VanDerWaalsContact C-N 3.33Å; Q536-Y538 PolarHBondContact O-N 2.95Å; Q536-L539 PolarHBondContact O-N 2.87Å; Q536-F540 WeakPolarHBondContact O-CB 3.35Å; Q536-F540 PolarHBondContact O-N 3.27Å; Q536-I549 HydrophobicContact CB-CD1 3.74Å; Q536-I549 HydrophobicContact CG-CD1 4.39Å
537P94.5Very high93Very high76 Ų7656.5 Ų56.549%0.49429%0.288SS..Hα-helixtrans-64.8-38.6177.2-20.934.5000112E533 F540 E541E533-P537 WeakPolarHBondContact O-CD 3.34Å; E533-P537 WeakPolarHBondContact O-CG 3.38Å; P537-F540 PolarHBondContact O-N 2.82Å; P537-E541 WeakPolarHBondContact O-CB 3.46Å; P537-E541 PolarHBondContact O-N 3.49Å
538Y93.9Very high93.1Very high16 Ų1658.8 Ų58.86%0.06330%0.299CS..Hα-helixtrans-63.2-47.6178.5172.6-104.1000112L500 D503 A504 K507 L535 Q536 F540 E541 K542L500-Y538 HydrophobicContact CD1-CE1 3.74Å; L500-Y538 HydrophobicContact CG-CE1 4.48Å; L500-Y538 WeakPolarHBondContact O-CE1 3.4Å; L500-Y538 PolarHBondContact O-OH 3.34Å; D503-Y538 WeakPolarHBondContact CB-OH 3.48Å; A504-Y538 HydrophobicContact CB-CD1 4.04Å; A504-Y538 HydrophobicContact CB-CE1 3.74Å; K507-Y538 HydrophobicContact CD-CD1 4.45Å; K507-Y538 HydrophobicContact CD-CD2 3.64Å; K507-Y538 HydrophobicContact CD-CE2 4Å; K507-Y538 HydrophobicContact CD-CG 3.86Å; K507-Y538 VanDerWaalsContact CE-CD2 3.45Å; L535-Y538 HydrophobicContact CD1-CD1 4.31Å; L535-Y538 PolarHBondContact O-N 3.05Å; Q536-Y538 VanDerWaalsContact C-N 3.33Å; Q536-Y538 PolarHBondContact O-N 2.95Å; Y538-F540 VanDerWaalsContact C-N 3.32Å; Y538-F540 PolarHBondContact O-N 3.15Å; Y538-E541 PolarHBondContact O-N 3.09Å; Y538-K542 HydrophobicContact CD2-CG 4.24Å; Y538-K542 HydrophobicContact CE2-CG 3.79Å; Y538-K542 WeakPolarHBondContact O-CG 3.22Å; Y538-K542 PolarHBondContact O-N 3.38Å; Y538-K542 VanDerWaalsContact O-N 3.08Å
539L92.5Very high93.2Very high1 Ų156.3 Ų56.31%0.00529%0.289CS..Hα-helixtrans-63.5-41.2177.3-68.2-176.2000111V467 F491 L535 Q536 K542 T543 P547 I549V467-L539 HydrophobicContact CG2-CD1 4.09Å; F491-L539 HydrophobicContact CE1-CD1 3.88Å; F491-L539 HydrophobicContact CE1-CD2 3.83Å; F491-L539 HydrophobicContact CE1-CG 4.29Å; F491-L539 HydrophobicContact CZ-CB 4.03Å; F491-L539 HydrophobicContact CZ-CD1 4.12Å; F491-L539 HydrophobicContact CZ-CD2 4.04Å; F491-L539 HydrophobicContact CZ-CG 4.28Å; L535-L539 HydrophobicContact CD1-CD1 3.95Å; L535-L539 HydrophobicContact CD1-CD2 4.1Å; L535-L539 HydrophobicContact CD1-CG 3.76Å; L535-L539 HydrophobicContact CD2-CD1 4.05Å; L535-L539 HydrophobicContact CG-CD1 3.71Å; L535-L539 HydrophobicContact CG-CG 3.93Å; L535-L539 WeakPolarHBondContact O-CG 3.28Å; L535-L539 PolarHBondContact O-N 3.3Å; Q536-L539 PolarHBondContact O-N 2.87Å; L539-K542 PolarHBondContact O-N 3.39Å; L539-T543 WeakPolarHBondContact O-CB 3.5Å; L539-T543 PolarHBondContact O-N 3.08Å; L539-T543 PolarHBondContact O-OG1 3Å; L539-P547 HydrophobicContact CD1-CG 3.66Å; L539-I549 HydrophobicContact CD1-CD1 4.28Å
540F93.3Very high93.2Very high95 Ų9557.9 Ų57.942%0.41729%0.293SS..Hα-helixtrans-64-44.2176.6-174.2-106000112.3Q536 P537 Y538 K542 T543 A544 R545 K546Q536-F540 WeakPolarHBondContact O-CB 3.35Å; Q536-F540 PolarHBondContact O-N 3.27Å; P537-F540 PolarHBondContact O-N 2.82Å; Y538-F540 VanDerWaalsContact C-N 3.32Å; Y538-F540 PolarHBondContact O-N 3.15Å; F540-K542 VanDerWaalsContact C-N 3.29Å; F540-K542 PolarHBondContact O-N 2.98Å; F540-T543 PolarHBondContact O-N 2.92Å; F540-A544 WeakPolarHBondContact O-CA 3.23Å; F540-A544 PolarHBondContact O-N 2.86Å; F540-R545 WeakPolarHBondContact CA-O 3.4Å; F540-K546 HydrophobicContact CD2-CD 4.17Å; F540-K546 HydrophobicContact CD2-CG 3.5Å; F540-K546 HydrophobicContact CE2-CD 4.36Å; F540-K546 HydrophobicContact CE2-CG 4.04Å; F540-K546 HydrophobicContact CG-CG 4.3Å
541E93.8Very high93.4Very high133 Ų13358 Ų5862%0.62129%0.293SS*.Hα-helixtrans-59.3-40.7177.1-171.2-156.3131.100111.7P537 Y538P537-E541 WeakPolarHBondContact O-CB 3.46Å; P537-E541 PolarHBondContact O-N 3.49Å; Y538-E541 PolarHBondContact O-N 3.09Å
542K90.3Very high93.4Very high113 Ų11360.8 Ų60.849%0.49131%0.31SS..Hα-helixtrans-85.7-22.9-176.2-63.6-50.8-175.9-151.80114.9L500 Y538 L539 F540L500-K542 HydrophobicContact CD1-CB 3.49Å; L500-K542 VanDerWaalsContact CD1-CB 3.49Å; L500-K542 HydrophobicContact CD1-CG 3.76Å; Y538-K542 HydrophobicContact CD2-CG 4.24Å; Y538-K542 HydrophobicContact CE2-CG 3.79Å; Y538-K542 WeakPolarHBondContact O-CG 3.22Å; Y538-K542 PolarHBondContact O-N 3.38Å; Y538-K542 VanDerWaalsContact O-N 3.08Å; L539-K542 PolarHBondContact O-N 3.39Å; F540-K542 VanDerWaalsContact C-N 3.29Å; F540-K542 PolarHBondContact O-N 2.98Å
543T89.6Confident93.3Very high40 Ų4059.4 Ų59.425%0.24530%0.303CS..Hα-helixtrans-127.9-9.4-170.870.20000114.5F491 V492 L500 L539 F540 R545F491-T543 HydrophobicContact CE2-CG2 4.33Å; F491-T543 HydrophobicContact CZ-CG2 3.78Å; V492-T543 HydrophobicContact CG1-CG2 4.33Å; L500-T543 HydrophobicContact CD2-CG2 3.91Å; L539-T543 WeakPolarHBondContact O-CB 3.5Å; L539-T543 PolarHBondContact O-N 3.08Å; L539-T543 PolarHBondContact O-OG1 3Å; F540-T543 PolarHBondContact O-N 2.92Å; T543-R545 PolarHBondContact O-N 3.42Å; T543-R545 VanDerWaalsContact O-N 3.12Å; T543-R545 PolarHBondContact OG1-N 2.77Å
544A91.3Very high93.2Very high78 Ų7858.2 Ų58.265%0.64530%0.299SS*.SBendtrans54.518.5-169.200000114.5F540F540-A544 WeakPolarHBondContact O-CA 3.23Å; F540-A544 PolarHBondContact O-N 2.86Å
545R89.9Confident92.7Very high80 Ų8060 Ų6030%0.30230%0.304SS..  trans-119.2155.8-179.1-71-177.173.5-170.75.5111.3E463 E464 G490 F491 F540 T543 P547E463-R545 PolarHBondContact O-NH2 2.76Å; E464-R545 PolarHBondContact O-NH2 2.91Å; E464-R545 WeakPolarHBondContact OE2-CB 3.46Å; E464-R545 IonicContact OE2-NE 2.76Å; G490-R545 PolarHBondContact O-NH2 3.28Å; F491-R545 HydrophobicContact CD2-CB 4.39Å; F491-R545 HydrophobicContact CE2-CB 3.84Å; F491-R545 PolarHBondContact O-NH1 3.21Å; F540-R545 WeakPolarHBondContact CA-O 3.4Å; T543-R545 PolarHBondContact O-N 3.42Å; T543-R545 VanDerWaalsContact O-N 3.12Å; T543-R545 PolarHBondContact OG1-N 2.77Å; R545-P547 WeakPolarHBondContact O-CD 3.5Å
546K92.2Very high91.9Very high112 Ų11263.9 Ų63.949%0.48733%0.327SS..  trans-124.872.6-175.3-67.6-174.6178.9176.70110.6E464 F540E464-K546 VanDerWaalsContact CB-O 3.26Å; E464-K546 WeakPolarHBondContact CB-O 3.33Å; E464-K546 WeakPolarHBondContact CG-O 3.47Å; E464-K546 PolarHBondContact OE2-N 3.07Å; F540-K546 HydrophobicContact CD2-CD 4.17Å; F540-K546 HydrophobicContact CD2-CG 3.5Å; F540-K546 HydrophobicContact CE2-CD 4.36Å; F540-K546 HydrophobicContact CE2-CG 4.04Å; F540-K546 HydrophobicContact CG-CG 4.3Å
547P93.5Very high90.6Very high5 Ų563.7 Ų63.73%0.03233%0.328CS..  trans-60.4153.1179.527.8-35000111.2V467 F491 L539 R545 I549V467-P547 HydrophobicContact CG2-CB 3.94Å; V467-P547 HydrophobicContact CG2-CG 3.91Å; F491-P547 HydrophobicContact CB-CB 4.07Å; F491-P547 HydrophobicContact CD1-CB 4.29Å; F491-P547 HydrophobicContact CD1-CG 4.04Å; F491-P547 HydrophobicContact CD2-CB 3.63Å; F491-P547 HydrophobicContact CD2-CG 3.62Å; F491-P547 HydrophobicContact CE1-CG 4.03Å; F491-P547 HydrophobicContact CE2-CB 4.14Å; F491-P547 HydrophobicContact CE2-CG 3.59Å; F491-P547 HydrophobicContact CG-CB 3.73Å; F491-P547 HydrophobicContact CG-CG 3.86Å; F491-P547 HydrophobicContact CZ-CG 3.81Å; L539-P547 HydrophobicContact CD1-CG 3.66Å; R545-P547 WeakPolarHBondContact O-CD 3.5Å; P547-I549 PolarHBondContact O-N 2.78Å
548M94.2Very high88.7Confident49 Ų4966.6 Ų66.624%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-63.7124.4165.5-176.4179.4-73.700108.3D457 L460 L461 G465 L466 V467D457-M548 HydrophobicContact CB-CE 4.07Å; L460-M548 HydrophobicContact CB-CE 4.02Å; L460-M548 HydrophobicContact CD1-CE 4.12Å; L461-M548 HydrophobicContact CD2-CB 4.46Å; L461-M548 HydrophobicContact CD2-SD 4.01Å; L461-M548 HydrophobicContact CG-CE 4.33Å; L461-M548 HydrophobicContact CG-SD 4.35Å; G465-M548 PolarHBondContact O-N 3.35Å; L466-M548 CarbonylContact C-O 3.59Å; L466-M548 WeakPolarHBondContact CA-O 3.4Å; L466-M548 HydrophobicContact CD1-CB 3.98Å; L466-M548 HydrophobicContact CD1-CG 3.93Å; L466-M548 WeakPolarHBondContact CD1-O 3.47Å; L466-M548 HydrophobicContact CD1-SD 4.11Å; V467-M548 PolarHBondContact N-O 2.93Å
549I95Very high86.4Confident19 Ų1974.5 Ų74.510%0.09737%0.373CS..EExtended strand (participates in β ladder)trans-105.5122.1177.5-61.7171.4000108.4V467 V469 I532 L535 Q536 L539 P547 P551V467-I549 CarbonylContact O-C 3.37Å; V467-I549 WeakPolarHBondContact O-CA 3.02Å; V469-I549 HydrophobicContact CG2-CG2 4.36Å; I532-I549 HydrophobicContact CG1-CB 4.39Å; I532-I549 HydrophobicContact CG1-CG2 4.07Å; L535-I549 HydrophobicContact CB-CD1 3.96Å; L535-I549 HydrophobicContact CD2-CD1 3.91Å; L535-I549 HydrophobicContact CD2-CG1 4.22Å; L535-I549 HydrophobicContact CD2-CG2 3.95Å; L535-I549 HydrophobicContact CG-CD1 3.83Å; Q536-I549 HydrophobicContact CB-CD1 3.74Å; Q536-I549 HydrophobicContact CG-CD1 4.39Å; L539-I549 HydrophobicContact CD1-CD1 4.28Å; P547-I549 PolarHBondContact O-N 2.78Å; I549-P551 HydrophobicContact CG2-CG 4.42Å; I549-P551 WeakPolarHBondContact O-CD 3.44Å
550L95.2Very high84Confident87 Ų8783.9 Ų83.946%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-117.498.1179.7-173.866000110.7L466 V467 I468 V469 V552L466-L550 HydrophobicContact CD1-CB 4.12Å; V467-L550 PolarHBondContact O-N 3.36Å; I468-L550 WeakPolarHBondContact CA-O 3.37Å; V469-L550 PolarHBondContact N-O 3.02Å; L550-V552 HydrophobicContact CG-CG2 4.46Å
551P95.7Very high81.4Confident7 Ų788 Ų885%0.04543%0.434CS..EExtended strand (participates in β ladder)trans-78.2123.4174.2-10.926.8000111.6V469 K528 I531 I532 I549V469-P551 CarbonylContact O-C 3.58Å; V469-P551 WeakPolarHBondContact O-CA 3.39Å; K528-P551 HydrophobicContact CB-CB 4.23Å; K528-P551 HydrophobicContact CB-CG 4.29Å; K528-P551 WeakPolarHBondContact CE-O 3.48Å; K528-P551 HydrophobicContact CG-CB 4.1Å; I531-P551 HydrophobicContact CB-CB 4.14Å; I531-P551 HydrophobicContact CB-CG 4.08Å; I531-P551 HydrophobicContact CD1-CB 3.91Å; I531-P551 HydrophobicContact CG2-CB 4.02Å; I531-P551 HydrophobicContact CG2-CG 3.92Å; I532-P551 HydrophobicContact CD1-CG 3.91Å; I532-P551 HydrophobicContact CG1-CG 3.58Å; I549-P551 HydrophobicContact CG2-CG 4.42Å; I549-P551 WeakPolarHBondContact O-CD 3.44Å
552V95.1Very high78.8Confident58 Ų5886.2 Ų86.235%0.35244%0.436SS..EExtended strand (participates in β ladder)trans-111.1117.5175.7-177.60000108.3I468 V469 V470 V471 L550I468-V552 HydrophobicContact CG2-CG2 3.92Å; V469-V552 PolarHBondContact O-N 3.32Å; V470-V552 WeakPolarHBondContact CA-O 3.47Å; V470-V552 HydrophobicContact CG2-CB 4.31Å; V471-V552 PolarHBondContact N-O 2.9Å; L550-V552 HydrophobicContact CG-CG2 4.46Å
553I93.2Very high76.3Confident27 Ų2788.4 Ų88.414%0.13845%0.453CS..EExtended strand (participates in β ladder)trans-109.2118.6-179.7-55.7176.4000108.2V471 I473 F475 W524 I527 K528V471-I553 HydrophobicContact CG2-CB 4.29Å; V471-I553 HydrophobicContact CG2-CG1 3.78Å; V471-I553 HydrophobicContact CG2-CG2 4.32Å; V471-I553 CarbonylContact O-C 3.59Å; V471-I553 WeakPolarHBondContact O-CA 3.37Å; I473-I553 HydrophobicContact CB-CG2 4.42Å; I473-I553 HydrophobicContact CD1-CG2 4.11Å; I473-I553 HydrophobicContact CG1-CG2 4.39Å; F475-I553 HydrophobicContact CE2-CG2 4.06Å; F475-I553 HydrophobicContact CZ-CG2 4.29Å; W524-I553 HydrophobicContact CB-CD1 4.31Å; W524-I553 VanDerWaalsContact O-CD1 3.22Å; W524-I553 WeakPolarHBondContact O-CD1 3.26Å; I527-I553 HydrophobicContact CB-CD1 3.68Å; I527-I553 HydrophobicContact CG2-CD1 3.6Å; I527-I553 HydrophobicContact CG2-CG1 4.42Å; K528-I553 HydrophobicContact CG-CD1 3.57Å; K528-I553 HydrophobicContact CG-CG1 4.14Å
554M91.5Very high73.7Confident108 Ų10893.6 Ų93.653%0.53248%0.479SS..EExtended strand (participates in β ladder)trans-90.5115.6171.1-61.8-175.870.300109.3V470 V471 S472 I473V470-M554 HydrophobicContact CG1-SD 4.43Å; V471-M554 PolarHBondContact O-N 3.29Å; S472-M554 WeakPolarHBondContact CA-O 3.45Å; I473-M554 PolarHBondContact N-O 2.75Å
555K85.1Confident71Confident77 Ų77103.2 Ų103.234%0.33551%0.507SS..EExtended strand (participates in β ladder)trans-86.6124.9172.6-65178-176.1175.80109F475 E558F475-K555 HydrophobicContact CD2-CD 4.42Å; F475-K555 HydrophobicContact CD2-CG 3.89Å; F475-K555 HydrophobicContact CE2-CD 4.43Å; F475-K555 HydrophobicContact CE2-CG 3.76Å; K555-E558 HydrophobicContact CD-CG 3.93Å; K555-E558 WeakPolarHBondContact CD-OE1 3.32Å; K555-E558 WeakPolarHBondContact CE-OE1 3.18Å; K555-E558 IonicContact NZ-OE1 2.7Å; K555-E558 PolarHBondContact NZ-OE1 3.41Å
556V76.7Confident70.1Confident83 Ų83104.4 Ų104.450%0.50352%0.517SS..SBendtrans-86.5-15.7-177-178.40000112.7I473 L481I473-V556 PolarHBondContact O-N 3.14Å; L481-V556 HydrophobicContact CD1-CB 3.79Å; L481-V556 HydrophobicContact CD1-CG1 4.08Å; L481-V556 HydrophobicContact CD1-CG2 3.49Å; L481-V556 VanDerWaalsContact CD1-CG2 3.49Å
557N67Low68.9Low74 Ų74103.9 Ų103.940%0.39652%0.519SS..  trans-12934.8-171.8-67.5-28000114.9D474 N476 Q559D474-N557 PolarHBondContact OD1-ND2 3.49Å; D474-N557 PolarHBondContact OD2-ND2 2.86Å; N476-N557 WeakPolarHBondContact ND2-CB 3.47Å; N476-N557 PolarHBondContact ND2-ND2 2.68Å; N557-Q559 PolarHBondContact O-N 2.86Å
558E54.7Low67.6Low137 Ų137109.4 Ų109.464%0.6455%0.546SS*.  trans-69.6102.7166.4-101175-176.200108.8K555 K560K555-E558 HydrophobicContact CD-CG 3.93Å; K555-E558 WeakPolarHBondContact CD-OE1 3.32Å; K555-E558 WeakPolarHBondContact CE-OE1 3.18Å; K555-E558 IonicContact NZ-OE1 2.7Å; K555-E558 PolarHBondContact NZ-OE1 3.41Å; E558-K560 PolarHBondContact O-N 2.99Å
559Q46Very low66Low182 Ų182113 Ų11385%0.8556%0.563SS**  trans-52.6125.9158.8-77.7-174.8-16.500106.6N557 E561N557-Q559 PolarHBondContact O-N 2.86Å; Q559-E561 VanDerWaalsContact C-N 3.34Å; Q559-E561 PolarHBondContact O-N 3.44Å
560K41.3Very low64.2Low197 Ų197118.9 Ų118.986%0.85759%0.593SS**  trans-52.1107.3163.3-74.9179.2176.4179.50105.9E558 S562E558-K560 PolarHBondContact O-N 2.99Å; K560-S562 PolarHBondContact O-N 3.36Å
561E39.2Very low62.1Low183 Ų183121 Ų12186%0.85560%0.602SS**  trans-59.294.2154-82.5-174.9158.200104.8Q559 N563Q559-E561 VanDerWaalsContact C-N 3.34Å; Q559-E561 PolarHBondContact O-N 3.44Å; E561-N563 PolarHBondContact O-N 3.06Å
562S38.9Very low59.7Low94 Ų94129.1 Ų129.166%0.65764%0.641SS**  trans-55.9106.816242.10000105.8K560 N564K560-S562 PolarHBondContact O-N 3.36Å; S562-N564 PolarHBondContact O-N 3.28Å
563N36.8Very low57Low159 Ų159134.6 Ų134.685%0.8566%0.664SS**  trans-52.289.9159.4-81.6-20.6000108.3E561E561-N563 PolarHBondContact O-N 3.06Å
564N35Very low54Low149 Ų149143.6 Ų143.680%0.79771%0.707SS**  trans-114.782156.8-96.6-7.9000105.9S562S562-N564 PolarHBondContact O-N 3.28Å
565K35.9Very low50.6Low280 Ų280146.8 Ų146.8100%1.21772%0.723SS**  trans-159.90148.7-106.6179.6-172-177.10109.7

Retrieved 565 of 565 residues in 194.1 ms (Link to these results)

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