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Ribonuclease J 1

An RNase that has 5'-3' exonuclease and possibly endoonuclease activity. Involved in maturation of rRNA and in some organisms also mRNA maturation and/or decay (By similarity).

AlphaFold DB (Q2FZG9), UniProt , Accession Q99V09, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), 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 1417.9 ms (Link to these results)

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