A0A5K4F417_SCHMA Loading...

Structure-specific endonuclease subunit SLX1 homolog

Catalytic subunit of a heterodimeric structure-specific endonuclease that resolves DNA secondary structures generated during DNA repair and recombination. Has endonuclease activity towards branched DNA substrates, introducing single-strand cuts in duplex DNA close to junctions with ss-DNA.

AlphaFold DB , UniProt , Accession A0A5K4F417, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 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
1M36.2Very low36.6Very low238 Ų238148.6 Ų148.6100%1.17281%0.808SS**  094.90-78.8177-179.100105.2
2D36.7Very low36.7Very low156 Ų156150.1 Ų150.183%0.83480%0.802SS**  trans-124.7100.5167.2-73.6-42.8000105.6F4D2-F4 PolarHBondContact O-N 3.07Å
3G38.8Very low36.7Very low70 Ų70151.5 Ų151.572%0.72280%0.801SS**  trans-66.4114.5176.700000108.3E5G3-E5 PolarHBondContact O-N 2.96Å
4F40.4Very low37.5Very low202 Ų202146.6 Ų146.689%0.88677%0.771SS**  trans-7296158.9-91.2-88.7000106.9D2 C6D2-F4 PolarHBondContact O-N 3.07Å; F4-C6 PolarHBondContact O-N 3.23Å; F4-C6 VanDerWaalsContact O-N 3.17Å
5E35.7Very low38.1Very low163 Ų163144.3 Ų144.376%0.76276%0.755SS**  trans-38.5115.7167.4-65.7171.4163.400109.2G3 F7G3-E5 PolarHBondContact O-N 2.96Å; E5-F7 PolarHBondContact O-N 3.41Å
6C37.5Very low39Very low120 Ų120140.6 Ų140.681%0.81174%0.736SS**  trans-59.6108.2164.446.10000106.9F4 D8F4-C6 PolarHBondContact O-N 3.23Å; F4-C6 VanDerWaalsContact O-N 3.17Å; C6-D8 PolarHBondContact O-N 3.4Å
7F37.3Very low40Very low183 Ų183134.5 Ų134.580%0.80370%0.702SS**  trans-55.7113.5166.6-71.2-86.4000107.6E5 D9E5-F7 PolarHBondContact O-N 3.41Å; F7-D9 PolarHBondContact O-N 3.38Å
8D33.4Very low40.8Very low162 Ų162135.2 Ų135.287%0.86670%0.699SS**  trans-56.291.6163-108.2-29.7000107.3C6 G10C6-D8 PolarHBondContact O-N 3.4Å; D8-G10 PolarHBondContact O-N 3.19Å
9D40.4Very low41.9Very low154 Ų154130.1 Ų130.182%0.82468%0.682SS**  trans-66.393.1161.7-82.2-31000105.6F7F7-D9 PolarHBondContact O-N 3.38Å
10G33.6Very low43.6Very low43 Ų43131.5 Ų131.544%0.44368%0.683SS.*  trans-41.8141-177.400000112.3D8 F12D8-G10 PolarHBondContact O-N 3.19Å; G10-F12 VanDerWaalsContact O-CD2 3.28Å; G10-F12 WeakPolarHBondContact O-CD2 3.44Å; G10-F12 PolarHBondContact O-N 3.31Å
11D33.1Very low45.8Very low144 Ų144126.2 Ų126.277%0.7765%0.654SS**  trans-58.472.5173.8-169.224.1000110.3Q13D11-Q13 PolarHBondContact O-N 3Å
12F36.9Very low48.6Very low166 Ų166116.8 Ų116.873%0.72861%0.606SS**  trans-66.594.9160.6-72.6-79.8000104.7G10 E14G10-F12 VanDerWaalsContact O-CD2 3.28Å; G10-F12 WeakPolarHBondContact O-CD2 3.44Å; G10-F12 PolarHBondContact O-N 3.31Å; F12-E14 VanDerWaalsContact C-N 3.29Å; F12-E14 PolarHBondContact O-N 3.44Å
13Q36.8Very low51.5Low169 Ų169109.4 Ų109.479%0.7957%0.567SS**  trans-46.1100.5167.6-67-175.8-4.100107.5D11 E15D11-Q13 PolarHBondContact O-N 3Å; Q13-E15 PolarHBondContact O-N 3.48Å; Q13-E15 VanDerWaalsContact O-N 3.12Å
14E48.4Very low54.3Low83 Ų83106 Ų10639%0.38853%0.532SS..  trans-71.7112.3-170.2-162.2169.5-167.200105.8F12 D16 N45F12-E14 VanDerWaalsContact C-N 3.29Å; F12-E14 PolarHBondContact O-N 3.44Å; E14-D16 PolarHBondContact O-N 3.47Å; E14-N45 PolarHBondContact OE1-ND2 3.25Å
15E46.3Very low57.1Low112 Ų11296.4 Ų96.452%0.52349%0.49SS..  trans-65.584.3170.1-69.9-169.215000108.3Q13 P169 N170Q13-E15 PolarHBondContact O-N 3.48Å; Q13-E15 VanDerWaalsContact O-N 3.12Å; E15-P169 HydrophobicContact CB-CB 4.27Å; E15-P169 HydrophobicContact CB-CG 3.53Å; E15-P169 VanDerWaalsContact O-CB 3.3Å; E15-P169 WeakPolarHBondContact O-CB 3.22Å; E15-P169 WeakPolarHBondContact O-CG 3.42Å; E15-P169 VanDerWaalsContact OE2-CG 3.31Å; E15-P169 WeakPolarHBondContact OE2-CG 3.32Å; E15-N170 VanDerWaalsContact CD-ND2 3.34Å; E15-N170 PolarHBondContact OE1-ND2 2.8Å; E15-N170 PolarHBondContact OE2-ND2 2.92Å
16D52.9Low60.1Low85 Ų8588.7 Ų88.746%0.45545%0.454SS..  trans-66.2143.8171.2-95.9-26.4000109E14 K18 N45E14-D16 PolarHBondContact O-N 3.47Å; D16-K18 PolarHBondContact O-N 2.84Å; D16-N45 PolarHBondContact OD1-ND2 2.77Å
17F55.6Low62.9Low36 Ų3683 Ų8316%0.15842%0.415CS..  trans-55.6118.9172.7-65.9-90.4000108.6G19 F21 P46 I167 P169F17-G19 PolarHBondContact O-N 3.36Å; F17-F21 HydrophobicContact CB-CB 3.9Å; F17-F21 HydrophobicContact CD1-CB 3.87Å; F17-F21 AromaticContact CD1-CD2 3.7Å; F17-F21 HydrophobicContact CD1-CD2 3.7Å; F17-F21 AromaticContact CD1-CG 3.94Å; F17-F21 HydrophobicContact CD1-CG 3.94Å; F17-F21 HydrophobicContact CD2-CB 3.89Å; F17-F21 HydrophobicContact CD2-CD1 4.47Å; F17-F21 HydrophobicContact CD2-CG 4.06Å; F17-F21 HydrophobicContact CE1-CB 4.38Å; F17-F21 AromaticContact CE1-CD2 3.46Å; F17-F21 HydrophobicContact CE1-CD2 3.46Å; F17-F21 VanDerWaalsContact CE1-CD2 3.46Å; F17-F21 AromaticContact CE1-CE2 3.87Å; F17-F21 HydrophobicContact CE1-CE2 3.87Å; F17-F21 AromaticContact CE1-CG 3.94Å; F17-F21 HydrophobicContact CE1-CG 3.94Å; F17-F21 HydrophobicContact CE2-CB 4.44Å; F17-F21 HydrophobicContact CE2-CD1 4.27Å; F17-F21 HydrophobicContact CE2-CD2 4.38Å; F17-F21 HydrophobicContact CE2-CG 4.1Å; F17-F21 HydrophobicContact CG-CB 3.59Å; F17-F21 HydrophobicContact CG-CD2 4.25Å; F17-F21 AromaticContact CG-CG 4Å; F17-F21 HydrophobicContact CG-CG 4Å; F17-F21 HydrophobicContact CZ-CD1 4.37Å; F17-F21 AromaticContact CZ-CD2 3.84Å; F17-F21 HydrophobicContact CZ-CD2 3.84Å; F17-F21 HydrophobicContact CZ-CE2 4.02Å; F17-F21 HydrophobicContact CZ-CG 4.03Å; F17-F21 HydrophobicContact CZ-CZ 4.38Å; F17-P46 VanDerWaalsContact CE2-CD 3.5Å; F17-P46 HydrophobicContact CZ-CG 4.49Å; F17-I167 HydrophobicContact CE1-CG2 3.54Å; F17-I167 HydrophobicContact CZ-CG2 3.45Å; F17-I167 VanDerWaalsContact CZ-CG2 3.45Å; F17-P169 HydrophobicContact CD1-CB 4.2Å; F17-P169 HydrophobicContact CE1-CB 4.29Å; F17-P169 HydrophobicContact CG-CB 4.44Å
18K54Low65.8Low148 Ų14874.9 Ų74.964%0.64338%0.38SS*.SBendtrans-69.973.1171.6-73.8-176.3179.4174.60109.9D16 L172D16-K18 PolarHBondContact O-N 2.84Å; K18-L172 WeakPolarHBondContact O-CD1 3.46Å
19G61.9Low68.9Low37 Ų3767.5 Ų67.538%0.38134%0.341SS..SBendtrans139.2-166179.100000113.9F17 F21F17-G19 PolarHBondContact O-N 3.36Å; G19-F21 PolarHBondContact O-N 3.45Å; G19-F21 VanDerWaalsContact O-N 3.14Å
20F76Confident71.5Confident158 Ų15863.9 Ų63.969%0.69332%0.321SS*.  trans-84.588.7-172.4-59.1-70.4000112Y22F20-Y22 HydrophobicContact CB-CD2 4.4Å; F20-Y22 HydrophobicContact CB-CE2 3.63Å; F20-Y22 HydrophobicContact CD1-CE2 4.5Å; F20-Y22 WeakPolarHBondContact CD1-OH 3.06Å; F20-Y22 HydrophobicContact CG-CE2 4.4Å
21F90.6Very high74.4Confident21 Ų2163.6 Ų63.69%0.09231%0.31CS..  trans-89128.1168-176.5-84.8000110.7F17 G19 T43 V44 P46 I76 Y78 I167F17-F21 HydrophobicContact CB-CB 3.9Å; F17-F21 HydrophobicContact CD1-CB 3.87Å; F17-F21 AromaticContact CD1-CD2 3.7Å; F17-F21 HydrophobicContact CD1-CD2 3.7Å; F17-F21 AromaticContact CD1-CG 3.94Å; F17-F21 HydrophobicContact CD1-CG 3.94Å; F17-F21 HydrophobicContact CD2-CB 3.89Å; F17-F21 HydrophobicContact CD2-CD1 4.47Å; F17-F21 HydrophobicContact CD2-CG 4.06Å; F17-F21 HydrophobicContact CE1-CB 4.38Å; F17-F21 AromaticContact CE1-CD2 3.46Å; F17-F21 HydrophobicContact CE1-CD2 3.46Å; F17-F21 VanDerWaalsContact CE1-CD2 3.46Å; F17-F21 AromaticContact CE1-CE2 3.87Å; F17-F21 HydrophobicContact CE1-CE2 3.87Å; F17-F21 AromaticContact CE1-CG 3.94Å; F17-F21 HydrophobicContact CE1-CG 3.94Å; F17-F21 HydrophobicContact CE2-CB 4.44Å; F17-F21 HydrophobicContact CE2-CD1 4.27Å; F17-F21 HydrophobicContact CE2-CD2 4.38Å; F17-F21 HydrophobicContact CE2-CG 4.1Å; F17-F21 HydrophobicContact CG-CB 3.59Å; F17-F21 HydrophobicContact CG-CD2 4.25Å; F17-F21 AromaticContact CG-CG 4Å; F17-F21 HydrophobicContact CG-CG 4Å; F17-F21 HydrophobicContact CZ-CD1 4.37Å; F17-F21 AromaticContact CZ-CD2 3.84Å; F17-F21 HydrophobicContact CZ-CD2 3.84Å; F17-F21 HydrophobicContact CZ-CE2 4.02Å; F17-F21 HydrophobicContact CZ-CG 4.03Å; F17-F21 HydrophobicContact CZ-CZ 4.38Å; G19-F21 PolarHBondContact O-N 3.45Å; G19-F21 VanDerWaalsContact O-N 3.14Å; F21-T43 HydrophobicContact CE1-CG2 4.41Å; F21-V44 WeakPolarHBondContact CD1-O 3.5Å; F21-V44 WeakPolarHBondContact O-CA 3.44Å; F21-V44 WeakPolarHBondContact O-CB 3.3Å; F21-V44 WeakPolarHBondContact O-CG1 3.42Å; F21-P46 HydrophobicContact CD1-CG 4.5Å; F21-P46 HydrophobicContact CE1-CG 3.61Å; F21-P46 HydrophobicContact CZ-CG 3.84Å; F21-I76 HydrophobicContact CE1-CD1 4.16Å; F21-I76 HydrophobicContact CZ-CD1 3.92Å; F21-Y78 HydrophobicContact CD2-CD2 4.47Å; F21-Y78 AromaticContact CE2-CD2 3.72Å; F21-Y78 HydrophobicContact CE2-CD2 3.72Å; F21-Y78 HydrophobicContact CE2-CE2 4.48Å; F21-Y78 AromaticContact CE2-CG 3.78Å; F21-Y78 HydrophobicContact CE2-CG 3.78Å; F21-Y78 HydrophobicContact CZ-CD2 4.42Å; F21-Y78 HydrophobicContact CZ-CG 4.01Å; F21-I167 HydrophobicContact CE2-CD1 4.35Å; F21-I167 HydrophobicContact CE2-CG2 4.44Å; F21-I167 HydrophobicContact CZ-CD1 3.9Å
22Y94.4Very high77.4Confident41 Ų4162.3 Ų62.316%0.16131%0.31CS..  trans-136.3126.4173.6-57.8-65.7000108.5F20 F42 V44 Y78 G79 F80 N82 A83F20-Y22 HydrophobicContact CB-CD2 4.4Å; F20-Y22 HydrophobicContact CB-CE2 3.63Å; F20-Y22 HydrophobicContact CD1-CE2 4.5Å; F20-Y22 WeakPolarHBondContact CD1-OH 3.06Å; F20-Y22 HydrophobicContact CG-CE2 4.4Å; Y22-F42 AromaticContact CD1-CE2 3.95Å; Y22-F42 HydrophobicContact CD1-CE2 3.95Å; Y22-F42 AromaticContact CD1-CZ 3.84Å; Y22-F42 HydrophobicContact CD1-CZ 3.84Å; Y22-V44 HydrophobicContact CD1-CG1 3.84Å; Y22-V44 HydrophobicContact CE1-CG1 4.04Å; Y22-Y78 WeakPolarHBondContact O-CA 3.47Å; Y22-G79 PolarHBondContact O-N 3.03Å; Y22-F80 WeakPolarHBondContact O-CD2 3.44Å; Y22-N82 VanDerWaalsContact CE2-CA 3.49Å; Y22-A83 HydrophobicContact CD1-CB 4Å; Y22-A83 HydrophobicContact CE1-CB 3.73Å
23G96.9Very high80.2Confident0 Ų062.7 Ų62.70%031%0.311CS..EExtended strand (participates in β ladder)trans-145.5156.3179.100000113.6F42 T43 V77G23-F42 CarbonylContact O-C 3.47Å; G23-F42 WeakPolarHBondContact O-CA 3.31Å; G23-T43 PolarHBondContact N-O 3.23Å; G23-T43 PolarHBondContact O-N 3.19Å; G23-V77 CarbonylContact C-O 3.55Å; G23-V77 WeakPolarHBondContact CA-O 3.28Å
24C98.6Very high83Confident0 Ų057.7 Ų57.70%029%0.286CS..EExtended strand (participates in β ladder)trans-116.9124171.3-62.80000108.2G41 V77 F80 A86 F89 W93C24-G41 CarbonylContact C-O 3.57Å; C24-G41 WeakPolarHBondContact CA-O 3.5Å; C24-V77 PolarHBondContact N-O 2.92Å; C24-V77 PolarHBondContact O-N 3.19Å; C24-F80 HydrophobicContact CB-CE2 4.4Å; C24-A86 PolarHBondContact SG-O 2.73Å; C24-F89 HydrophobicContact CB-CD1 3.85Å; C24-F89 HydrophobicContact CB-CE1 4.15Å; C24-W93 HydrophobicContact CB-CE3 4.33Å; C24-W93 HydrophobicContact CB-CZ3 4.31Å
25C98.1Very high85Confident0 Ų064.4 Ų64.40%031%0.308CS..EExtended strand (participates in β ladder)trans-117.4156-175.458.70000111.6L27 I40 G41 M73 L75 I76C25-L27 HydrophobicContact CB-CD1 4.22Å; C25-L27 WeakPolarHBondContact SG-CD1 3.13Å; C25-I40 CarbonylContact O-C 3.55Å; C25-I40 VanDerWaalsContact O-CA 3.26Å; C25-I40 WeakPolarHBondContact O-CA 3.14Å; C25-G41 PolarHBondContact N-O 3.05Å; C25-G41 PolarHBondContact O-N 2.81Å; C25-G41 PolarHBondContact SG-O 3.37Å; C25-M73 HydrophobicContact CB-CE 4Å; C25-M73 HydrophobicContact CB-CG 4Å; C25-M73 HydrophobicContact CB-SD 3.88Å; C25-L75 VanDerWaalsContact CA-O 3.31Å; C25-L75 WeakPolarHBondContact CA-O 3.2Å; C25-I76 HydrophobicContact CB-CB 4.02Å; C25-I76 HydrophobicContact CB-CD1 4.2Å; C25-I76 HydrophobicContact CB-CG1 3.99Å
26I98.4Very high87.1Confident0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans-114.1130.4167.3-172.3165000109.2T38 Y39 I40 V74 L75 W93 F116 R119I26-T38 HydrophobicContact CD1-CG2 4.19Å; I26-Y39 CarbonylContact C-O 3.49Å; I26-Y39 WeakPolarHBondContact CA-O 3.42Å; I26-I40 HydrophobicContact CB-CG1 4.28Å; I26-I40 HydrophobicContact CD1-CG1 4.18Å; I26-I40 HydrophobicContact CG1-CG1 4.09Å; I26-V74 HydrophobicContact CG2-CG2 3.98Å; I26-V74 WeakPolarHBondContact O-CG2 3.39Å; I26-V74 PolarHBondContact O-N 2.86Å; I26-V74 VanDerWaalsContact O-N 3.15Å; I26-L75 HydrophobicContact CG2-CB 3.79Å; I26-L75 HydrophobicContact CG2-CD2 4.11Å; I26-L75 PolarHBondContact N-O 3.47Å; I26-W93 HydrophobicContact CB-CH2 3.75Å; I26-W93 HydrophobicContact CB-CZ2 4.04Å; I26-W93 HydrophobicContact CD1-CZ2 4.2Å; I26-W93 HydrophobicContact CG2-CH2 3.91Å; I26-W93 HydrophobicContact CG2-CZ2 4.23Å; I26-F116 HydrophobicContact CD1-CD2 3.75Å; I26-F116 HydrophobicContact CD1-CE2 4Å; I26-F116 HydrophobicContact CG1-CD2 4.32Å; I26-F116 HydrophobicContact CG1-CE2 4.31Å; I26-F116 HydrophobicContact CG2-CE2 4.03Å; I26-R119 HydrophobicContact CD1-CB 3.75Å; I26-R119 HydrophobicContact CD1-CG 4.39Å
27L97.9Very high89.2Confident0 Ų062 Ų620%030%0.303CS..EExtended strand (participates in β ladder)trans-112.6146.6-178.4-63.367.9000109.1C25 T38 Y39 I50 H53 W71 E72C25-L27 HydrophobicContact CB-CD1 4.22Å; C25-L27 WeakPolarHBondContact SG-CD1 3.13Å; L27-T38 CarbonylContact O-C 3.55Å; L27-T38 VanDerWaalsContact O-CA 3.27Å; L27-T38 WeakPolarHBondContact O-CA 3.44Å; L27-Y39 HydrophobicContact CD1-CD1 4.01Å; L27-Y39 HydrophobicContact CD2-CD1 4.21Å; L27-Y39 PolarHBondContact N-O 3.13Å; L27-Y39 PolarHBondContact O-N 3.39Å; L27-I50 HydrophobicContact CD2-CD1 3.72Å; L27-I50 HydrophobicContact CG-CD1 4.31Å; L27-H53 HydrophobicContact CD2-CB 4.28Å; L27-H53 VanDerWaalsContact CD2-CD2 3.46Å; L27-H53 WeakPolarHBondContact CD2-CD2 3.29Å; L27-W71 HydrophobicContact CB-CE3 3.95Å; L27-W71 HydrophobicContact CD2-CB 4.2Å; L27-E72 CarbonylContact C-O 3.58Å; L27-E72 WeakPolarHBondContact CA-O 3.5Å
28L97.8Very high91.2Very high13 Ų1361.2 Ų61.27%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-116.2138.3172.4-66.9-178.2000110.5T38 W71 E72 V74 F116 Y146L28-T38 HydrophobicContact CD2-CG2 3.49Å; L28-T38 VanDerWaalsContact CD2-CG2 3.49Å; L28-W71 WeakPolarHBondContact O-CA 3.48Å; L28-E72 PolarHBondContact N-O 2.93Å; L28-E72 PolarHBondContact O-N 3.43Å; L28-V74 HydrophobicContact CB-CG1 4.32Å; L28-V74 HydrophobicContact CD1-CG1 3.96Å; L28-V74 HydrophobicContact CD1-CG2 4.17Å; L28-V74 HydrophobicContact CG-CG1 4.11Å; L28-V74 HydrophobicContact CG-CG2 4.09Å; L28-F116 HydrophobicContact CD1-CD1 4.36Å; L28-F116 HydrophobicContact CD1-CD2 4.16Å; L28-F116 HydrophobicContact CD1-CE1 4.4Å; L28-F116 HydrophobicContact CD1-CE2 4.23Å; L28-F116 HydrophobicContact CD1-CG 4.22Å; L28-F116 HydrophobicContact CD1-CZ 4.33Å; L28-F116 HydrophobicContact CD2-CB 4.08Å; L28-F116 HydrophobicContact CD2-CD2 3.7Å; L28-F116 HydrophobicContact CD2-CE2 4.36Å; L28-F116 HydrophobicContact CD2-CG 3.99Å; L28-F116 HydrophobicContact CG-CD2 4.2Å; L28-F116 HydrophobicContact CG-CE2 4.38Å; L28-Y146 HydrophobicContact CD1-CD1 3.52Å; L28-Y146 HydrophobicContact CD1-CE1 3.43Å; L28-Y146 VanDerWaalsContact CD1-CE1 3.43Å; L28-Y146 HydrophobicContact CD1-CG 4.32Å
29S97.6Very high93.3Very high7 Ų755.7 Ų55.75%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-75.9124.3168.71620000109.8N31 F34 K37 K68S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 WeakPolarHBondContact OG-CB 3.45Å; S29-N31 PolarHBondContact OG-N 3.1Å; S29-N31 VanDerWaalsContact OG-N 3.16Å; S29-F34 WeakPolarHBondContact CB-O 3.47Å; S29-F34 WeakPolarHBondContact OG-CB 3.44Å; S29-F34 PolarHBondContact OG-O 2.83Å; S29-K37 PolarHBondContact N-O 3.29Å; S29-K68 WeakPolarHBondContact CB-O 3.43Å; S29-K68 PolarHBondContact OG-O 3.49Å
30L95.5Very high95Very high78 Ų7854.3 Ų54.341%0.40826%0.261SS..  trans-85.1-7.2169.7-56.8-176.5000112.4P32 P70 E72 Y146L30-P32 WeakPolarHBondContact O-CD 3.33Å; L30-P70 HydrophobicContact CB-CG 4.21Å; L30-P70 WeakPolarHBondContact CB-O 3.24Å; L30-P70 PolarHBondContact N-O 2.93Å; L30-E72 HydrophobicContact CD1-CB 4.04Å; L30-E72 HydrophobicContact CD2-CB 4.23Å; L30-E72 HydrophobicContact CG-CB 4.07Å; L30-Y146 WeakPolarHBondContact CD2-OH 3.39Å
31N95.4Very high96.1Very high38 Ų3846.8 Ų46.820%0.20323%0.228CC..  trans-65.6122.8176.6-168.4-44.7000110.8S29 K33 F34 R35 G69S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 WeakPolarHBondContact OG-CB 3.45Å; S29-N31 PolarHBondContact OG-N 3.1Å; S29-N31 VanDerWaalsContact OG-N 3.16Å; N31-K33 PolarHBondContact O-N 3.11Å; N31-K33 WeakPolarHBondContact OD1-CB 3.35Å; N31-K33 PolarHBondContact OD1-N 3.25Å; N31-F34 HydrophobicContact CB-CB 4.37Å; N31-F34 HydrophobicContact CB-CD2 4.13Å; N31-F34 CarbonylContact O-C 3.52Å; N31-F34 WeakPolarHBondContact O-CA 3.2Å; N31-F34 PolarHBondContact O-N 3.29Å; N31-R35 PolarHBondContact O-N 3.41Å; N31-G69 WeakPolarHBondContact CB-O 3.45Å; N31-G69 PolarHBondContact ND2-O 3.14Å
32P94.8Very high96.4Very high117 Ų11747.8 Ų47.876%0.7623%0.232SC*.G310 helixtrans-56-34.8179.6-27.335.6000113.9L30 F34 R35L30-P32 WeakPolarHBondContact O-CD 3.33Å; P32-F34 PolarHBondContact O-N 3.18Å; P32-R35 PolarHBondContact O-N 2.77Å
33K96.2Very high96.4Very high174 Ų17446.2 Ų46.276%0.75723%0.227SC*.G310 helixtrans-67.8-25.3177.2-174.8175.1179.6174.80112.8N31N31-K33 PolarHBondContact O-N 3.11Å; N31-K33 WeakPolarHBondContact OD1-CB 3.35Å; N31-K33 PolarHBondContact OD1-N 3.25Å
34F95Very high96.3Very high63 Ų6348.8 Ų48.828%0.27624%0.243SC..G310 helixtrans-120.230.6-179.3-56.8-74.9000111.5S29 N31 P32 G36 K37 G67 K68S29-F34 WeakPolarHBondContact CB-O 3.47Å; S29-F34 WeakPolarHBondContact OG-CB 3.44Å; S29-F34 PolarHBondContact OG-O 2.83Å; N31-F34 HydrophobicContact CB-CB 4.37Å; N31-F34 HydrophobicContact CB-CD2 4.13Å; N31-F34 CarbonylContact O-C 3.52Å; N31-F34 WeakPolarHBondContact O-CA 3.2Å; N31-F34 PolarHBondContact O-N 3.29Å; P32-F34 PolarHBondContact O-N 3.18Å; F34-G36 PolarHBondContact O-N 3.28Å; F34-K37 HydrophobicContact CB-CB 4.23Å; F34-K37 WeakPolarHBondContact O-CB 3.41Å; F34-K37 PolarHBondContact O-N 3.42Å; F34-G67 WeakPolarHBondContact CE2-O 3.3Å; F34-K68 HydrophobicContact CB-CB 4.47Å; F34-K68 HydrophobicContact CD1-CD 4.49Å; F34-K68 HydrophobicContact CD1-CG 3.99Å; F34-K68 HydrophobicContact CD2-CB 3.98Å; F34-K68 HydrophobicContact CD2-CG 3.95Å; F34-K68 HydrophobicContact CE1-CG 3.96Å; F34-K68 HydrophobicContact CE2-CB 4.33Å; F34-K68 HydrophobicContact CE2-CG 3.92Å; F34-K68 HydrophobicContact CG-CB 4.1Å; F34-K68 HydrophobicContact CG-CG 3.97Å; F34-K68 HydrophobicContact CZ-CG 3.92Å
35R90.9Very high96Very high224 Ų22449.1 Ų49.185%0.84524%0.244SC*.THydrogen-bonded Turntrans-56.3134.1-178.7-172.2175.1-176.6167.51.7110.8N31 P32 K37N31-R35 PolarHBondContact O-N 3.41Å; P32-R35 PolarHBondContact O-N 2.77Å; R35-K37 PolarHBondContact O-N 2.97Å
36G91.2Very high95.8Very high40 Ų4049.5 Ų49.541%0.41225%0.247SC..THydrogen-bonded Turntrans76.71-178.800000114.6F34 T38F34-G36 PolarHBondContact O-N 3.28Å; G36-T38 PolarHBondContact O-N 3.02Å
37K96.6Very high95.5Very high106 Ų10655.1 Ų55.146%0.46127%0.271SS..  trans-66.5128.3171.3-166.574178.7-178.60109.3S29 F34 R35 W71S29-K37 PolarHBondContact N-O 3.29Å; F34-K37 HydrophobicContact CB-CB 4.23Å; F34-K37 WeakPolarHBondContact O-CB 3.41Å; F34-K37 PolarHBondContact O-N 3.42Å; R35-K37 PolarHBondContact O-N 2.97Å; K37-W71 HydrophobicContact CB-CH2 4.36Å; K37-W71 HydrophobicContact CG-CH2 3.86Å; K37-W71 HydrophobicContact CG-CZ3 4.5Å
38T97.5Very high95.2Very high21 Ų2159.6 Ų59.613%0.12929%0.288CS..EExtended strand (participates in β ladder)trans-105.9152.2175.554.60000110.5I26 L27 L28 G36 S115 F116I26-T38 HydrophobicContact CD1-CG2 4.19Å; L27-T38 CarbonylContact O-C 3.55Å; L27-T38 VanDerWaalsContact O-CA 3.27Å; L27-T38 WeakPolarHBondContact O-CA 3.44Å; L28-T38 HydrophobicContact CD2-CG2 3.49Å; L28-T38 VanDerWaalsContact CD2-CG2 3.49Å; G36-T38 PolarHBondContact O-N 3.02Å; T38-S115 PolarHBondContact OG1-OG 3.33Å; T38-S115 VanDerWaalsContact OG1-OG 3.11Å; T38-F116 HydrophobicContact CG2-CB 3.9Å; T38-F116 HydrophobicContact CG2-CD2 4.18Å
39Y97.9Very high95.1Very high32 Ų3261.4 Ų61.413%0.12529%0.294CS..EExtended strand (participates in β ladder)trans-136.2135.5165.1176.3-99.3000108.9I26 L27 H53 A62 S64 T65I26-Y39 CarbonylContact C-O 3.49Å; I26-Y39 WeakPolarHBondContact CA-O 3.42Å; L27-Y39 HydrophobicContact CD1-CD1 4.01Å; L27-Y39 HydrophobicContact CD2-CD1 4.21Å; L27-Y39 PolarHBondContact N-O 3.13Å; L27-Y39 PolarHBondContact O-N 3.39Å; Y39-H53 AromaticContact CD1-CE1 3.73Å; Y39-H53 AromaticContact CD1-NE2 3.99Å; Y39-H53 AromaticContact CE1-CE1 3.21Å; Y39-H53 WeakPolarHBondContact CE1-CE1 3.37Å; Y39-H53 AromaticContact CE1-NE2 3.48Å; Y39-H53 WeakPolarHBondContact CE1-NE2 3.33Å; Y39-H53 AromaticContact CZ-CE1 3.79Å; Y39-A62 HydrophobicContact CE1-CB 4.44Å; Y39-A62 HydrophobicContact CE2-CB 4.01Å; Y39-A62 VanDerWaalsContact OH-CB 3.3Å; Y39-A62 WeakPolarHBondContact OH-CB 3.28Å; Y39-S64 WeakPolarHBondContact CE2-OG 3.36Å; Y39-T65 HydrophobicContact CD1-CG2 3.8Å; Y39-T65 HydrophobicContact CD2-CG2 3.35Å; Y39-T65 HydrophobicContact CE1-CG2 4.16Å; Y39-T65 HydrophobicContact CE2-CG2 3.76Å; Y39-T65 HydrophobicContact CG-CG2 3.38Å
40I98.5Very high95Very high8 Ų862.7 Ų62.74%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-109.6131.9174.8-68.8158.1000107.1C25 I26 E90 W93 Q94 R119C25-I40 CarbonylContact O-C 3.55Å; C25-I40 VanDerWaalsContact O-CA 3.26Å; C25-I40 WeakPolarHBondContact O-CA 3.14Å; I26-I40 HydrophobicContact CB-CG1 4.28Å; I26-I40 HydrophobicContact CD1-CG1 4.18Å; I26-I40 HydrophobicContact CG1-CG1 4.09Å; I40-E90 HydrophobicContact CG2-CG 4.29Å; I40-W93 HydrophobicContact CD1-CB 4.37Å; I40-W93 HydrophobicContact CD1-CD2 3.72Å; I40-W93 HydrophobicContact CD1-CE3 4.43Å; I40-W93 HydrophobicContact CD1-CG 3.65Å; I40-W93 HydrophobicContact CG1-CD2 4.02Å; I40-W93 HydrophobicContact CG1-CE3 4.26Å; I40-W93 HydrophobicContact CG1-CG 4.42Å; I40-W93 HydrophobicContact CG1-CZ2 4.48Å; I40-W93 HydrophobicContact CG2-CB 4.25Å; I40-W93 HydrophobicContact CG2-CD2 3.8Å; I40-W93 HydrophobicContact CG2-CE3 3.45Å; I40-W93 VanDerWaalsContact CG2-CE3 3.45Å; I40-W93 HydrophobicContact CG2-CG 4.16Å; I40-W93 HydrophobicContact CG2-CZ3 4.1Å; I40-Q94 HydrophobicContact CB-CG 3.91Å; I40-Q94 HydrophobicContact CG2-CG 4.02Å; I40-Q94 PolarHBondContact O-NE2 2.92Å; I40-R119 HydrophobicContact CD1-CB 4.48Å; I40-R119 HydrophobicContact CD1-CG 4.19Å
41G97.9Very high95Very high0 Ų066.1 Ų66.10%031%0.307CS..EExtended strand (participates in β ladder)trans-147.4143.9-174.600000114.3C24 C25 E90C24-G41 CarbonylContact C-O 3.57Å; C24-G41 WeakPolarHBondContact CA-O 3.5Å; C25-G41 PolarHBondContact N-O 3.05Å; C25-G41 PolarHBondContact O-N 2.81Å; C25-G41 PolarHBondContact SG-O 3.37Å; G41-E90 VanDerWaalsContact CA-OE1 3.26Å; G41-E90 WeakPolarHBondContact CA-OE1 3.15Å
42F97.5Very high94.9Very high42 Ų4266.6 Ų66.618%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-73.1147.3165.6169.4-102.5000112Y22 G23 V44 A83 A86 L87 E90Y22-F42 AromaticContact CD1-CE2 3.95Å; Y22-F42 HydrophobicContact CD1-CE2 3.95Å; Y22-F42 AromaticContact CD1-CZ 3.84Å; Y22-F42 HydrophobicContact CD1-CZ 3.84Å; G23-F42 CarbonylContact O-C 3.47Å; G23-F42 WeakPolarHBondContact O-CA 3.31Å; F42-V44 HydrophobicContact CE1-CG1 3.94Å; F42-V44 HydrophobicContact CE2-CG1 4.46Å; F42-V44 HydrophobicContact CZ-CG1 3.54Å; F42-A83 HydrophobicContact CZ-CB 4.19Å; F42-A86 HydrophobicContact CD2-CB 3.7Å; F42-A86 HydrophobicContact CE2-CB 3.66Å; F42-L87 HydrophobicContact CB-CD2 3.98Å; F42-L87 HydrophobicContact CD1-CD2 3.98Å; F42-L87 HydrophobicContact CD2-CD2 4.43Å; F42-L87 HydrophobicContact CG-CD2 3.87Å; F42-L87 HydrophobicContact CG-CG 4.43Å; F42-E90 HydrophobicContact CB-CG 4.49Å; F42-E90 PolarHBondContact N-OE1 2.98Å
43T95.4Very high95Very high7 Ų761.2 Ų61.24%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-153.2149.1172.8-172.20000113.2F21 G23 N45 P46 R49 I76F21-T43 HydrophobicContact CE1-CG2 4.41Å; G23-T43 PolarHBondContact N-O 3.23Å; G23-T43 PolarHBondContact O-N 3.19Å; T43-N45 PolarHBondContact OG1-N 3.42Å; T43-N45 VanDerWaalsContact OG1-N 3.09Å; T43-N45 PolarHBondContact OG1-O 3.21Å; T43-P46 HydrophobicContact CG2-CB 4.31Å; T43-P46 HydrophobicContact CG2-CG 3.88Å; T43-R49 VanDerWaalsContact OG1-CB 3.3Å; T43-R49 WeakPolarHBondContact OG1-CB 3.46Å; T43-I76 HydrophobicContact CG2-CD1 3.89Å
44V93.4Very high95Very high55 Ų5556.6 Ų56.633%0.33326%0.257SS..SBendtrans-106.6-12.4166.7-59.80000112.8F21 Y22 F42F21-V44 WeakPolarHBondContact CD1-O 3.5Å; F21-V44 WeakPolarHBondContact O-CA 3.44Å; F21-V44 WeakPolarHBondContact O-CB 3.3Å; F21-V44 WeakPolarHBondContact O-CG1 3.42Å; Y22-V44 HydrophobicContact CD1-CG1 3.84Å; Y22-V44 HydrophobicContact CE1-CG1 4.04Å; F42-V44 HydrophobicContact CE1-CG1 3.94Å; F42-V44 HydrophobicContact CE2-CG1 4.46Å; F42-V44 HydrophobicContact CZ-CG1 3.54Å
45N92.3Very high94.9Very high6 Ų656.6 Ų56.63%0.03227%0.269CS..  trans-146.997.7175.5176.9-26.4000107.2E14 D16 T43 K47 R48 R49E14-N45 PolarHBondContact OE1-ND2 3.25Å; D16-N45 PolarHBondContact OD1-ND2 2.77Å; T43-N45 PolarHBondContact OG1-N 3.42Å; T43-N45 VanDerWaalsContact OG1-N 3.09Å; T43-N45 PolarHBondContact OG1-O 3.21Å; N45-K47 PolarHBondContact O-N 3.04Å; N45-K47 PolarHBondContact OD1-N 3.44Å; N45-R48 HydrophobicContact CB-CB 4Å; N45-R48 VanDerWaalsContact CG-CB 3.48Å; N45-R48 PolarHBondContact O-N 3.41Å; N45-R48 WeakPolarHBondContact OD1-CB 3.5Å; N45-R48 PolarHBondContact OD1-N 3.27Å; N45-R49 WeakPolarHBondContact O-CB 2.91Å; N45-R49 PolarHBondContact O-N 3.36Å
46P93.9Very high94.9Very high9 Ų946.8 Ų46.86%0.05824%0.237CC..Hα-helixtrans-59.7-39.7-175.9-27.337.2000114.2F17 F21 T43 R49 I50 M73 I76 I167F17-P46 VanDerWaalsContact CE2-CD 3.5Å; F17-P46 HydrophobicContact CZ-CG 4.49Å; F21-P46 HydrophobicContact CD1-CG 4.5Å; F21-P46 HydrophobicContact CE1-CG 3.61Å; F21-P46 HydrophobicContact CZ-CG 3.84Å; T43-P46 HydrophobicContact CG2-CB 4.31Å; T43-P46 HydrophobicContact CG2-CG 3.88Å; P46-R49 PolarHBondContact O-N 2.81Å; P46-I50 WeakPolarHBondContact O-CG2 2.98Å; P46-I50 PolarHBondContact O-N 3.08Å; P46-M73 HydrophobicContact CB-CE 3.86Å; P46-M73 HydrophobicContact CB-SD 3.82Å; P46-I76 HydrophobicContact CB-CD1 4.18Å; P46-I76 HydrophobicContact CG-CD1 3.6Å; P46-I167 HydrophobicContact CB-CD1 4.3Å; P46-I167 HydrophobicContact CG-CD1 3.74Å
47K92.7Very high94.9Very high117 Ų11748 Ų4851%0.50924%0.239SC..Hα-helixtrans-63.8-48.5179.1-70.9-178.1-179.1174.90110.9N45 R49 I50 R51N45-K47 PolarHBondContact O-N 3.04Å; N45-K47 PolarHBondContact OD1-N 3.44Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 3.33Å; K47-I50 VanDerWaalsContact O-CG2 3.24Å; K47-I50 WeakPolarHBondContact O-CG2 3.41Å; K47-R51 WeakPolarHBondContact O-CG 3.2Å; K47-R51 PolarHBondContact O-N 2.95Å
48R92.3Very high94.6Very high95 Ų9551 Ų5136%0.35826%0.259SS..Hα-helixtrans-60-44.8173.5-171177.771.5-157.82.3111.5N45 I50 R51 Q52N45-R48 HydrophobicContact CB-CB 4Å; N45-R48 VanDerWaalsContact CG-CB 3.48Å; N45-R48 PolarHBondContact O-N 3.41Å; N45-R48 WeakPolarHBondContact OD1-CB 3.5Å; N45-R48 PolarHBondContact OD1-N 3.27Å; R48-I50 PolarHBondContact O-N 2.92Å; R48-R51 WeakPolarHBondContact O-CB 3.3Å; R48-R51 PolarHBondContact O-N 3.07Å; R48-Q52 WeakPolarHBondContact O-CG 3.41Å; R48-Q52 PolarHBondContact O-N 2.95Å
49R94.4Very high94.3Very high51 Ų5157.2 Ų57.219%0.19228%0.284CS..Hα-helixtrans-64.5-41.2-175.3-17358.5169.7176.9-1.3113.1T43 N45 P46 K47 R51 Q52 H53 G60T43-R49 VanDerWaalsContact OG1-CB 3.3Å; T43-R49 WeakPolarHBondContact OG1-CB 3.46Å; N45-R49 WeakPolarHBondContact O-CB 2.91Å; N45-R49 PolarHBondContact O-N 3.36Å; P46-R49 PolarHBondContact O-N 2.81Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 3.33Å; R49-R51 VanDerWaalsContact C-N 3.35Å; R49-Q52 VanDerWaalsContact NH1-OE1 3.17Å; R49-Q52 WeakPolarHBondContact O-CB 3.38Å; R49-Q52 PolarHBondContact O-N 3.08Å; R49-H53 PolarHBondContact NE-NE2 2.94Å; R49-H53 PolarHBondContact O-CD2 3.05Å; R49-H53 PolarHBondContact O-N 3.04Å; R49-H53 VanDerWaalsContact O-N 3.12Å; R49-G60 PolarHBondContact NH1-O 2.76Å
50I95.3Very high93.9Very high33 Ų3357.5 Ų57.517%0.16930%0.297CS..Hα-helixtrans-67.3-37177.9-168.259.4000111.8L27 P46 K47 R48 Q52 H53 N54 W71 M73L27-I50 HydrophobicContact CD2-CD1 3.72Å; L27-I50 HydrophobicContact CG-CD1 4.31Å; P46-I50 WeakPolarHBondContact O-CG2 2.98Å; P46-I50 PolarHBondContact O-N 3.08Å; K47-I50 VanDerWaalsContact O-CG2 3.24Å; K47-I50 WeakPolarHBondContact O-CG2 3.41Å; R48-I50 PolarHBondContact O-N 2.92Å; I50-Q52 PolarHBondContact O-N 3.3Å; I50-H53 PolarHBondContact O-N 3.44Å; I50-N54 PolarHBondContact O-N 3.2Å; I50-N54 VanDerWaalsContact O-N 3.09Å; I50-N54 PolarHBondContact O-ND2 2.76Å; I50-W71 HydrophobicContact CD1-CB 3.95Å; I50-W71 WeakPolarHBondContact CD1-O 3.38Å; I50-M73 HydrophobicContact CB-CE 4.41Å; I50-M73 HydrophobicContact CD1-CB 4.28Å; I50-M73 HydrophobicContact CG1-CB 4.49Å
51R95Very high93.5Very high150 Ų15057.5 Ų57.557%0.56630%0.299SS*.Hα-helixtrans-59.4-45.5172.2-71.1176.5175.4175.7-4.7111.4K47 R48 R49 H53 N54 A55K47-R51 WeakPolarHBondContact O-CG 3.2Å; K47-R51 PolarHBondContact O-N 2.95Å; R48-R51 WeakPolarHBondContact O-CB 3.3Å; R48-R51 PolarHBondContact O-N 3.07Å; R49-R51 VanDerWaalsContact C-N 3.35Å; R51-H53 PolarHBondContact O-N 2.74Å; R51-N54 PolarHBondContact O-N 2.9Å; R51-N54 VanDerWaalsContact O-N 3.15Å; R51-A55 VanDerWaalsContact O-CB 3.31Å; R51-A55 WeakPolarHBondContact O-CB 3.5Å; R51-A55 PolarHBondContact O-N 3.38Å
52Q95.4Very high93.3Very high49 Ų4958.2 Ų58.223%0.22931%0.305CS..Hα-helixtrans-58.6-43.3176-68.3177.7-24.200112.6R48 R49 I50 N54 A55 G56 K59 G61R48-Q52 WeakPolarHBondContact O-CG 3.41Å; R48-Q52 PolarHBondContact O-N 2.95Å; R49-Q52 VanDerWaalsContact NH1-OE1 3.17Å; R49-Q52 WeakPolarHBondContact O-CB 3.38Å; R49-Q52 PolarHBondContact O-N 3.08Å; I50-Q52 PolarHBondContact O-N 3.3Å; Q52-N54 VanDerWaalsContact C-N 3.31Å; Q52-N54 PolarHBondContact O-N 3.14Å; Q52-A55 PolarHBondContact O-N 3.41Å; Q52-G56 PolarHBondContact O-N 3.36Å; Q52-K59 WeakPolarHBondContact CG-O 3.43Å; Q52-G61 VanDerWaalsContact O-CA 3.23Å; Q52-G61 WeakPolarHBondContact O-CA 3.4Å; Q52-G61 PolarHBondContact O-N 3.29Å
53H95.2Very high93.1Very high3 Ų365.5 Ų65.51%0.01434%0.337CS..Hα-helixtrans-62.7-37.4176.7-77.5-65.4000112.7L27 Y39 R49 I50 R51 T65 W71L27-H53 HydrophobicContact CD2-CB 4.28Å; L27-H53 VanDerWaalsContact CD2-CD2 3.46Å; L27-H53 WeakPolarHBondContact CD2-CD2 3.29Å; Y39-H53 AromaticContact CD1-CE1 3.73Å; Y39-H53 AromaticContact CD1-NE2 3.99Å; Y39-H53 AromaticContact CE1-CE1 3.21Å; Y39-H53 WeakPolarHBondContact CE1-CE1 3.37Å; Y39-H53 AromaticContact CE1-NE2 3.48Å; Y39-H53 WeakPolarHBondContact CE1-NE2 3.33Å; Y39-H53 AromaticContact CZ-CE1 3.79Å; R49-H53 PolarHBondContact NE-NE2 2.94Å; R49-H53 PolarHBondContact O-CD2 3.05Å; R49-H53 PolarHBondContact O-N 3.04Å; R49-H53 VanDerWaalsContact O-N 3.12Å; I50-H53 PolarHBondContact O-N 3.44Å; R51-H53 PolarHBondContact O-N 2.74Å; H53-T65 PolarHBondContact ND1-OG1 3.24Å; H53-W71 HydrophobicContact CB-CB 4.42Å; H53-W71 HydrophobicContact CB-CG 4.37Å
54N96.3Very high93Very high77 Ų7768.4 Ų68.441%0.41236%0.357SS..Hα-helixtrans-80-29.4179.9-72.8-26.7000113.6I50 R51 Q52 G56 W71I50-N54 PolarHBondContact O-N 3.2Å; I50-N54 VanDerWaalsContact O-N 3.09Å; I50-N54 PolarHBondContact O-ND2 2.76Å; R51-N54 PolarHBondContact O-N 2.9Å; R51-N54 VanDerWaalsContact O-N 3.15Å; Q52-N54 VanDerWaalsContact C-N 3.31Å; Q52-N54 PolarHBondContact O-N 3.14Å; N54-G56 VanDerWaalsContact C-N 3.29Å; N54-G56 PolarHBondContact O-N 2.97Å; N54-W71 PolarHBondContact ND2-O 3.48Å; N54-W71 VanDerWaalsContact ND2-O 3.08Å; N54-W71 WeakPolarHBondContact OD1-CB 3.29Å; N54-W71 PolarHBondContact OD1-N 3.41Å; N54-W71 PolarHBondContact OD1-O 3.08Å
55A93.7Very high92.9Very high64 Ų6465.8 Ų65.853%0.52934%0.341SS..Hα-helixtrans-80.2-8.5176.200000113.7R51 Q52 K59R51-A55 VanDerWaalsContact O-CB 3.31Å; R51-A55 WeakPolarHBondContact O-CB 3.5Å; R51-A55 PolarHBondContact O-N 3.38Å; Q52-A55 PolarHBondContact O-N 3.41Å; A55-K59 HydrophobicContact CB-CB 3.66Å; A55-K59 HydrophobicContact CB-CG 3.91Å
56G90.3Very high93Very high18 Ų1867.1 Ų67.119%0.18635%0.353CS..  trans89.2179175.900000114.7Q52 N54 L58 K59 G61Q52-G56 PolarHBondContact O-N 3.36Å; N54-G56 VanDerWaalsContact C-N 3.29Å; N54-G56 PolarHBondContact O-N 2.97Å; G56-L58 VanDerWaalsContact C-N 3.35Å; G56-L58 PolarHBondContact O-N 3.13Å; G56-K59 PolarHBondContact O-N 3.33Å; G56-G61 WeakPolarHBondContact O-CA 3.4Å; G56-G61 PolarHBondContact O-N 3.18Å
57C91.5Very high92.9Very high66 Ų6670.1 Ų70.145%0.44639%0.385SS..G310 helixtrans-66.2-32.6-169.657.90000114.2K59 G60 G61 A66C57-K59 PolarHBondContact O-N 3Å; C57-G60 PolarHBondContact O-N 3.04Å; C57-G60 VanDerWaalsContact O-N 3.14Å; C57-G61 WeakPolarHBondContact CA-O 3.3Å; C57-A66 HydrophobicContact CB-CB 4.23Å
58L89.4Confident93Very high168 Ų16867 Ų6788%0.8837%0.372SS*.G310 helixtrans-66.2-19.2178-62.8178.4000112.8G56G56-L58 VanDerWaalsContact C-N 3.35Å; G56-L58 PolarHBondContact O-N 3.13Å
59K91.3Very high93.1Very high151 Ų15163.5 Ų63.566%0.65737%0.365SS*.G310 helixtrans-10521177.4-61.2-68.2-171.4172.50112.2Q52 A55 G56 C57Q52-K59 WeakPolarHBondContact CG-O 3.43Å; A55-K59 HydrophobicContact CB-CB 3.66Å; A55-K59 HydrophobicContact CB-CG 3.91Å; G56-K59 PolarHBondContact O-N 3.33Å; C57-K59 PolarHBondContact O-N 3Å
60G90.5Very high93.2Very high39 Ų3964.7 Ų64.740%0.40238%0.379SS..THydrogen-bonded Turntrans89.25.217700000115.3R49 C57R49-G60 PolarHBondContact NH1-O 2.76Å; C57-G60 PolarHBondContact O-N 3.04Å; C57-G60 VanDerWaalsContact O-N 3.14Å
61G91Very high93.3Very high7 Ų763.5 Ų63.57%0.07237%0.373CS..  trans-64.5147.1171.300000112.3Q52 G56 C57 K63Q52-G61 VanDerWaalsContact O-CA 3.23Å; Q52-G61 WeakPolarHBondContact O-CA 3.4Å; Q52-G61 PolarHBondContact O-N 3.29Å; G56-G61 WeakPolarHBondContact O-CA 3.4Å; G56-G61 PolarHBondContact O-N 3.18Å; C57-G61 WeakPolarHBondContact CA-O 3.3Å; G61-K63 PolarHBondContact O-N 3.47Å
62A91.8Very high93.3Very high16 Ų1658 Ų5813%0.13235%0.353CS..  trans-63.3135.9178.300000111.3Y39 S64 T65 A66Y39-A62 HydrophobicContact CE1-CB 4.44Å; Y39-A62 HydrophobicContact CE2-CB 4.01Å; Y39-A62 VanDerWaalsContact OH-CB 3.3Å; Y39-A62 WeakPolarHBondContact OH-CB 3.28Å; A62-S64 PolarHBondContact O-N 3.47Å; A62-S64 VanDerWaalsContact O-N 3.14Å; A62-T65 HydrophobicContact CB-CG2 4.1Å; A62-T65 PolarHBondContact N-OG1 3.38Å; A62-T65 WeakPolarHBondContact O-CA 3.31Å; A62-T65 WeakPolarHBondContact O-CB 3.44Å; A62-T65 PolarHBondContact O-N 3.5Å; A62-T65 PolarHBondContact O-OG1 2.85Å; A62-A66 PolarHBondContact O-N 3.4Å
63K94Very high93.4Very high195 Ų19556.2 Ų56.285%0.84835%0.345SS*.G310 helixtrans-52-40.9-179.1-66.8-176.6-179.9-179.60112.7G61 T65 A66G61-K63 PolarHBondContact O-N 3.47Å; K63-T65 PolarHBondContact O-N 3.01Å; K63-A66 PolarHBondContact O-N 2.74Å
64S92.6Very high93.5Very high67 Ų6756.1 Ų56.147%0.46935%0.345SS..G310 helixtrans-67.7-15.7179.459.20000114.1Y39 A62 K68Y39-S64 WeakPolarHBondContact CE2-OG 3.36Å; A62-S64 PolarHBondContact O-N 3.47Å; A62-S64 VanDerWaalsContact O-N 3.14Å; S64-K68 WeakPolarHBondContact O-CD 3.23Å; S64-K68 PolarHBondContact O-NZ 3.46Å
65T93.1Very high93.6Very high1 Ų152.4 Ų52.41%0.00633%0.325CS..G310 helixtrans-99-13.2-179.665.10000114Y39 H53 A62 K63 K68 W71Y39-T65 HydrophobicContact CD1-CG2 3.8Å; Y39-T65 HydrophobicContact CD2-CG2 3.35Å; Y39-T65 HydrophobicContact CE1-CG2 4.16Å; Y39-T65 HydrophobicContact CE2-CG2 3.76Å; Y39-T65 HydrophobicContact CG-CG2 3.38Å; H53-T65 PolarHBondContact ND1-OG1 3.24Å; A62-T65 HydrophobicContact CB-CG2 4.1Å; A62-T65 PolarHBondContact N-OG1 3.38Å; A62-T65 WeakPolarHBondContact O-CA 3.31Å; A62-T65 WeakPolarHBondContact O-CB 3.44Å; A62-T65 PolarHBondContact O-N 3.5Å; A62-T65 PolarHBondContact O-OG1 2.85Å; K63-T65 PolarHBondContact O-N 3.01Å; T65-K68 PolarHBondContact O-N 3.29Å; T65-W71 HydrophobicContact CG2-CH2 4.44Å; T65-W71 HydrophobicContact CG2-CZ2 3.91Å; T65-W71 PolarHBondContact O-NE1 2.93Å
66A92.7Very high93.9Very high33 Ų3349.4 Ų49.427%0.27330%0.3SS..THydrogen-bonded Turntrans-60.2137-177.800000112.2C57 A62 K63 K68C57-A66 HydrophobicContact CB-CB 4.23Å; A62-A66 PolarHBondContact O-N 3.4Å; K63-A66 PolarHBondContact O-N 2.74Å; A66-K68 PolarHBondContact O-N 3.49Å; A66-K68 VanDerWaalsContact O-N 3.15Å
67G92.3Very high94.2Very high72 Ų7248.5 Ų48.574%0.74229%0.291SS*.THydrogen-bonded Turntrans68.75.9177.500000115.6F34F34-G67 WeakPolarHBondContact CE2-O 3.3Å
68K95.7Very high94.5Very high53 Ų5347.9 Ų47.923%0.2328%0.28CS..SBendtrans-112.9-0.8-177.6-63.5168-165.3167.60112.9S29 F34 S64 T65 A66 W71S29-K68 WeakPolarHBondContact CB-O 3.43Å; S29-K68 PolarHBondContact OG-O 3.49Å; F34-K68 HydrophobicContact CB-CB 4.47Å; F34-K68 HydrophobicContact CD1-CD 4.49Å; F34-K68 HydrophobicContact CD1-CG 3.99Å; F34-K68 HydrophobicContact CD2-CB 3.98Å; F34-K68 HydrophobicContact CD2-CG 3.95Å; F34-K68 HydrophobicContact CE1-CG 3.96Å; F34-K68 HydrophobicContact CE2-CB 4.33Å; F34-K68 HydrophobicContact CE2-CG 3.92Å; F34-K68 HydrophobicContact CG-CB 4.1Å; F34-K68 HydrophobicContact CG-CG 3.97Å; F34-K68 HydrophobicContact CZ-CG 3.92Å; S64-K68 WeakPolarHBondContact O-CD 3.23Å; S64-K68 PolarHBondContact O-NZ 3.46Å; T65-K68 PolarHBondContact O-N 3.29Å; A66-K68 PolarHBondContact O-N 3.49Å; A66-K68 VanDerWaalsContact O-N 3.15Å; K68-W71 HydrophobicContact CB-CH2 4.42Å; K68-W71 HydrophobicContact CB-CZ2 3.58Å; K68-W71 HydrophobicContact CD-CZ2 4.44Å
69G93.3Very high94.6Very high21 Ų2141.7 Ų41.722%0.21626%0.256CS..  trans-75.5178.917400000112.9N31N31-G69 WeakPolarHBondContact CB-O 3.45Å; N31-G69 PolarHBondContact ND2-O 3.14Å
70P96.1Very high94.8Very high75 Ų7534.6 Ų34.649%0.48723%0.225SC..  cis-69.9139.46.524-28.3000112.3L30L30-P70 HydrophobicContact CB-CG 4.21Å; L30-P70 WeakPolarHBondContact CB-O 3.24Å; L30-P70 PolarHBondContact N-O 2.93Å
71W97.4Very high94.8Very high8 Ų835.8 Ų35.83%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-95.9142.2175.5-65.897.1000109.7L27 L28 K37 I50 H53 N54 T65 K68L27-W71 HydrophobicContact CB-CE3 3.95Å; L27-W71 HydrophobicContact CD2-CB 4.2Å; L28-W71 WeakPolarHBondContact O-CA 3.48Å; K37-W71 HydrophobicContact CB-CH2 4.36Å; K37-W71 HydrophobicContact CG-CH2 3.86Å; K37-W71 HydrophobicContact CG-CZ3 4.5Å; I50-W71 HydrophobicContact CD1-CB 3.95Å; I50-W71 WeakPolarHBondContact CD1-O 3.38Å; H53-W71 HydrophobicContact CB-CB 4.42Å; H53-W71 HydrophobicContact CB-CG 4.37Å; N54-W71 PolarHBondContact ND2-O 3.48Å; N54-W71 VanDerWaalsContact ND2-O 3.08Å; N54-W71 WeakPolarHBondContact OD1-CB 3.29Å; N54-W71 PolarHBondContact OD1-N 3.41Å; N54-W71 PolarHBondContact OD1-O 3.08Å; T65-W71 HydrophobicContact CG2-CH2 4.44Å; T65-W71 HydrophobicContact CG2-CZ2 3.91Å; T65-W71 PolarHBondContact O-NE1 2.93Å; K68-W71 HydrophobicContact CB-CH2 4.42Å; K68-W71 HydrophobicContact CB-CZ2 3.58Å; K68-W71 HydrophobicContact CD-CZ2 4.44Å
72E96.7Very high94.8Very high35 Ų3538.7 Ų38.716%0.16424%0.241CC..EExtended strand (participates in β ladder)trans-121.7129.5172.8-174.3161.5-129.100110L27 L28 L30 V74 K143 Y146L27-E72 CarbonylContact C-O 3.58Å; L27-E72 WeakPolarHBondContact CA-O 3.5Å; L28-E72 PolarHBondContact N-O 2.93Å; L28-E72 PolarHBondContact O-N 3.43Å; L30-E72 HydrophobicContact CD1-CB 4.04Å; L30-E72 HydrophobicContact CD2-CB 4.23Å; L30-E72 HydrophobicContact CG-CB 4.07Å; E72-V74 HydrophobicContact CG-CG1 4.28Å; E72-V74 PolarHBondContact O-N 3.31Å; E72-K143 HydrophobicContact CG-CD 4.41Å; E72-K143 HydrophobicContact CG-CG 3.93Å; E72-K143 VanDerWaalsContact OE1-CD 3.28Å; E72-K143 WeakPolarHBondContact OE1-CD 3.47Å; E72-K143 WeakPolarHBondContact OE1-CE 3.49Å; E72-K143 IonicContact OE1-NZ 3.68Å; E72-K143 PolarHBondContact OE1-NZ 3.28Å; E72-Y146 WeakPolarHBondContact OE2-CE2 3.41Å
73M97.5Very high94.9Very high12 Ų1239.3 Ų39.36%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-80.3115.9171.9-175.8179.4-60.100108.8C25 P46 I50 I76 I142C25-M73 HydrophobicContact CB-CE 4Å; C25-M73 HydrophobicContact CB-CG 4Å; C25-M73 HydrophobicContact CB-SD 3.88Å; P46-M73 HydrophobicContact CB-CE 3.86Å; P46-M73 HydrophobicContact CB-SD 3.82Å; I50-M73 HydrophobicContact CB-CE 4.41Å; I50-M73 HydrophobicContact CD1-CB 4.28Å; I50-M73 HydrophobicContact CG1-CB 4.49Å; M73-I76 HydrophobicContact SD-CB 4.49Å; M73-I76 HydrophobicContact SD-CD1 4.31Å; M73-I142 HydrophobicContact CG-CG1 4.37Å; M73-I142 HydrophobicContact SD-CG1 4.47Å
74V97.7Very high95Very high0 Ų035 Ų350%023%0.231CC..EExtended strand (participates in β ladder)trans-104-36.3-172.8-60.60000113.1I26 L28 E72 F116 I142 K143 Y146I26-V74 HydrophobicContact CG2-CG2 3.98Å; I26-V74 WeakPolarHBondContact O-CG2 3.39Å; I26-V74 PolarHBondContact O-N 2.86Å; I26-V74 VanDerWaalsContact O-N 3.15Å; L28-V74 HydrophobicContact CB-CG1 4.32Å; L28-V74 HydrophobicContact CD1-CG1 3.96Å; L28-V74 HydrophobicContact CD1-CG2 4.17Å; L28-V74 HydrophobicContact CG-CG1 4.11Å; L28-V74 HydrophobicContact CG-CG2 4.09Å; E72-V74 HydrophobicContact CG-CG1 4.28Å; E72-V74 PolarHBondContact O-N 3.31Å; V74-F116 HydrophobicContact CG2-CE2 3.58Å; V74-F116 HydrophobicContact CG2-CZ 3.75Å; V74-I142 PolarHBondContact O-N 3.15Å; V74-K143 HydrophobicContact CG1-CB 4.43Å; V74-K143 PolarHBondContact O-N 3.4Å; V74-Y146 HydrophobicContact CB-CD2 4.05Å; V74-Y146 HydrophobicContact CB-CG 4.09Å; V74-Y146 HydrophobicContact CG1-CD1 4.3Å; V74-Y146 HydrophobicContact CG1-CD2 3.45Å; V74-Y146 VanDerWaalsContact CG1-CD2 3.45Å; V74-Y146 HydrophobicContact CG1-CE2 3.71Å; V74-Y146 HydrophobicContact CG1-CG 3.76Å
75L98.3Very high95.2Very high0 Ų032.8 Ų32.80%022%0.216CC..EExtended strand (participates in β ladder)trans-142.6145.9178.6174.2153.9000110.3C25 I26 V77 W93 L120 L123 I139 Q140 W141 L150C25-L75 VanDerWaalsContact CA-O 3.31Å; C25-L75 WeakPolarHBondContact CA-O 3.2Å; I26-L75 HydrophobicContact CG2-CB 3.79Å; I26-L75 HydrophobicContact CG2-CD2 4.11Å; I26-L75 PolarHBondContact N-O 3.47Å; L75-V77 HydrophobicContact CD2-CG2 3.96Å; L75-W93 HydrophobicContact CD2-CH2 3.92Å; L75-L120 HydrophobicContact CD1-CD2 4.25Å; L75-L123 HydrophobicContact CD1-CD2 4.23Å; L75-L123 HydrophobicContact CD2-CD2 3.68Å; L75-I139 HydrophobicContact CD1-CG2 3.71Å; L75-I139 HydrophobicContact CD2-CG2 4.34Å; L75-I139 HydrophobicContact CG-CG2 4.11Å; L75-Q140 WeakPolarHBondContact CA-O 3.46Å; L75-W141 HydrophobicContact CB-CD2 4.37Å; L75-W141 HydrophobicContact CB-CE3 3.83Å; L75-W141 HydrophobicContact CB-CZ3 3.93Å; L75-W141 HydrophobicContact CD1-CD2 3.82Å; L75-W141 HydrophobicContact CD1-CE3 3.95Å; L75-W141 HydrophobicContact CD1-CH2 3.72Å; L75-W141 HydrophobicContact CD1-CZ2 3.58Å; L75-W141 HydrophobicContact CD1-CZ3 3.91Å; L75-W141 HydrophobicContact CG-CE3 4.43Å; L75-L150 HydrophobicContact CD1-CD2 3.99Å
76I98.3Very high95.4Very high0 Ų032.8 Ų32.80%022%0.216CC..EExtended strand (participates in β ladder)trans-138.5139.2174.2-174.4166000111.2F21 C25 T43 P46 M73 Y78 Q140 I142 I167F21-I76 HydrophobicContact CE1-CD1 4.16Å; F21-I76 HydrophobicContact CZ-CD1 3.92Å; C25-I76 HydrophobicContact CB-CB 4.02Å; C25-I76 HydrophobicContact CB-CD1 4.2Å; C25-I76 HydrophobicContact CB-CG1 3.99Å; T43-I76 HydrophobicContact CG2-CD1 3.89Å; P46-I76 HydrophobicContact CB-CD1 4.18Å; P46-I76 HydrophobicContact CG-CD1 3.6Å; M73-I76 HydrophobicContact SD-CB 4.49Å; M73-I76 HydrophobicContact SD-CD1 4.31Å; I76-Y78 HydrophobicContact CG2-CD1 4.4Å; I76-Q140 HydrophobicContact CG2-CB 4.08Å; I76-Q140 PolarHBondContact N-O 2.83Å; I76-Q140 PolarHBondContact O-N 2.89Å; I76-I142 HydrophobicContact CG2-CD1 3.7Å; I76-I142 HydrophobicContact CG2-CG1 3.87Å; I76-I167 HydrophobicContact CB-CD1 4.45Å; I76-I167 HydrophobicContact CD1-CD1 3.72Å; I76-I167 HydrophobicContact CG1-CD1 4.42Å; I76-I167 HydrophobicContact CG2-CD1 3.44Å; I76-I167 VanDerWaalsContact CG2-CD1 3.44Å; I76-I167 HydrophobicContact CG2-CG1 4.24Å
77V98.3Very high95.7Very high0 Ų034.8 Ų34.80%022%0.222CC..EExtended strand (participates in β ladder)trans-107.1124.7172-174.60000107.2G23 C24 L75 F80 F89 L123 L127 L137 T138 I139G23-V77 CarbonylContact C-O 3.55Å; G23-V77 WeakPolarHBondContact CA-O 3.28Å; C24-V77 PolarHBondContact N-O 2.92Å; C24-V77 PolarHBondContact O-N 3.19Å; L75-V77 HydrophobicContact CD2-CG2 3.96Å; V77-F80 HydrophobicContact CG1-CE2 4.26Å; V77-F80 HydrophobicContact CG1-CZ 4.2Å; V77-F80 WeakPolarHBondContact O-CE2 3.35Å; V77-F89 HydrophobicContact CG1-CZ 4.23Å; V77-F89 HydrophobicContact CG2-CZ 4.49Å; V77-L123 HydrophobicContact CG2-CD1 3.74Å; V77-L123 HydrophobicContact CG2-CD2 4.02Å; V77-L127 HydrophobicContact CG1-CD2 4.48Å; V77-L137 HydrophobicContact CG1-CB 3.99Å; V77-L137 HydrophobicContact CG1-CD1 3.95Å; V77-L137 HydrophobicContact CG1-CD2 4.46Å; V77-L137 HydrophobicContact CG1-CG 4.34Å; V77-T138 VanDerWaalsContact CA-O 3.31Å; V77-T138 WeakPolarHBondContact CA-O 3.48Å; V77-I139 HydrophobicContact CG2-CG1 4.45Å
78Y96.2Very high95.9Very high53 Ų5340 Ų4021%0.20822%0.219CC..EExtended strand (participates in β ladder)trans-142.4174.9-177.868.1-82.6000111.6F21 Y22 I76 L137 T138 Q140F21-Y78 HydrophobicContact CD2-CD2 4.47Å; F21-Y78 AromaticContact CE2-CD2 3.72Å; F21-Y78 HydrophobicContact CE2-CD2 3.72Å; F21-Y78 HydrophobicContact CE2-CE2 4.48Å; F21-Y78 AromaticContact CE2-CG 3.78Å; F21-Y78 HydrophobicContact CE2-CG 3.78Å; F21-Y78 HydrophobicContact CZ-CD2 4.42Å; F21-Y78 HydrophobicContact CZ-CG 4.01Å; Y22-Y78 WeakPolarHBondContact O-CA 3.47Å; I76-Y78 HydrophobicContact CG2-CD1 4.4Å; Y78-L137 CarbonylContact O-C 3.44Å; Y78-L137 VanDerWaalsContact O-CA 3.27Å; Y78-L137 WeakPolarHBondContact O-CA 3.31Å; Y78-T138 HydrophobicContact CE1-CG2 3.62Å; Y78-T138 HydrophobicContact CE2-CG2 4.46Å; Y78-T138 PolarHBondContact N-O 3.01Å; Y78-T138 PolarHBondContact O-N 3.5Å; Y78-T138 WeakPolarHBondContact OH-CG2 3.45Å; Y78-Q140 HydrophobicContact CE1-CB 3.8Å; Y78-Q140 PolarHBondContact OH-OE1 3.5Å
79G92.9Very high96.1Very high37 Ų3737.4 Ų37.438%0.38121%0.208SC..  trans103.28.1-17400000113.8Y22Y22-G79 PolarHBondContact O-N 3.03Å
80F94.2Very high96.3Very high3 Ų337.7 Ų37.71%0.01320%0.204CC..  trans-58.4144.8174.1-64.6-83000111.5Y22 C24 V77 A86 F89 L135 L137Y22-F80 WeakPolarHBondContact O-CD2 3.44Å; C24-F80 HydrophobicContact CB-CE2 4.4Å; V77-F80 HydrophobicContact CG1-CE2 4.26Å; V77-F80 HydrophobicContact CG1-CZ 4.2Å; V77-F80 WeakPolarHBondContact O-CE2 3.35Å; F80-A86 HydrophobicContact CB-CB 3.89Å; F80-A86 HydrophobicContact CD1-CB 4.11Å; F80-A86 HydrophobicContact CD2-CB 3.73Å; F80-A86 HydrophobicContact CE2-CB 4.29Å; F80-A86 HydrophobicContact CG-CB 3.64Å; F80-F89 HydrophobicContact CE1-CB 3.57Å; F80-F89 HydrophobicContact CE1-CD1 4.42Å; F80-F89 AromaticContact CE1-CD2 3.72Å; F80-F89 HydrophobicContact CE1-CD2 3.72Å; F80-F89 AromaticContact CE1-CG 3.67Å; F80-F89 HydrophobicContact CE1-CG 3.67Å; F80-F89 HydrophobicContact CZ-CB 3.75Å; F80-F89 AromaticContact CZ-CD1 3.78Å; F80-F89 HydrophobicContact CZ-CD1 3.78Å; F80-F89 AromaticContact CZ-CD2 3.72Å; F80-F89 HydrophobicContact CZ-CD2 3.72Å; F80-F89 HydrophobicContact CZ-CE1 4.28Å; F80-F89 HydrophobicContact CZ-CE2 4.23Å; F80-F89 AromaticContact CZ-CG 3.48Å; F80-F89 HydrophobicContact CZ-CG 3.48Å; F80-F89 VanDerWaalsContact CZ-CG 3.48Å; F80-F89 HydrophobicContact CZ-CZ 4.48Å; F80-L135 HydrophobicContact CD1-CD1 4.29Å; F80-L135 HydrophobicContact CE1-CD1 4.33Å; F80-L137 HydrophobicContact CD1-CD2 3.69Å; F80-L137 HydrophobicContact CD2-CD2 4Å; F80-L137 HydrophobicContact CE1-CD1 4.01Å; F80-L137 HydrophobicContact CE1-CD2 3.64Å; F80-L137 HydrophobicContact CE1-CG 4.49Å; F80-L137 HydrophobicContact CE2-CD2 3.96Å; F80-L137 HydrophobicContact CG-CD2 3.86Å; F80-L137 HydrophobicContact CZ-CD1 4.08Å; F80-L137 HydrophobicContact CZ-CD2 3.78Å
81S89.9Confident96.4Very high64 Ų6440 Ų4045%0.44820%0.203SC..SBendtrans-71.3-32.9-176.955.40000112.7
82N91Very high96.5Very high67 Ų6739.7 Ų39.736%0.35820%0.202SC..SBendtrans-155.1167.1179.158.154.4000111.4Y22 I84 S85 A86Y22-N82 VanDerWaalsContact CE2-CA 3.49Å; N82-I84 VanDerWaalsContact C-N 3.27Å; N82-I84 PolarHBondContact O-N 3.47Å; N82-I84 WeakPolarHBondContact OD1-CB 3.27Å; N82-I84 PolarHBondContact OD1-N 3.48Å; N82-I84 VanDerWaalsContact OD1-N 3.15Å; N82-S85 PolarHBondContact N-OG 2.67Å; N82-S85 PolarHBondContact O-N 2.93Å; N82-S85 PolarHBondContact O-OG 3.34Å; N82-S85 PolarHBondContact OD1-N 3.04Å; N82-S85 PolarHBondContact OD1-OG 3.32Å; N82-A86 PolarHBondContact O-N 2.75Å
83A94.8Very high96.6Very high29 Ų2938 Ų3824%0.2419%0.194CC..Hα-helixtrans-56.4-38.1177.800000113Y22 F42 S85 A86 L87Y22-A83 HydrophobicContact CD1-CB 4Å; Y22-A83 HydrophobicContact CE1-CB 3.73Å; F42-A83 HydrophobicContact CZ-CB 4.19Å; A83-S85 PolarHBondContact O-N 3.05Å; A83-A86 PolarHBondContact O-N 3.12Å; A83-L87 HydrophobicContact CB-CD1 4.48Å; A83-L87 WeakPolarHBondContact O-CB 3.41Å; A83-L87 VanDerWaalsContact O-CG 3.23Å; A83-L87 WeakPolarHBondContact O-CG 3.46Å; A83-L87 PolarHBondContact O-N 3.31Å
84I96.5Very high96.6Very high104 Ų10440.2 Ų40.253%0.53320%0.204SC..Hα-helixtrans-60.8-44.9-178.9-60.7172.6000111N82 L87 R88N82-I84 VanDerWaalsContact C-N 3.27Å; N82-I84 PolarHBondContact O-N 3.47Å; N82-I84 WeakPolarHBondContact OD1-CB 3.27Å; N82-I84 PolarHBondContact OD1-N 3.48Å; N82-I84 VanDerWaalsContact OD1-N 3.15Å; I84-L87 PolarHBondContact O-N 2.89Å; I84-R88 WeakPolarHBondContact O-CB 3.29Å; I84-R88 WeakPolarHBondContact O-CG 3.33Å; I84-R88 PolarHBondContact O-N 3.08Å
85S95.6Very high96.6Very high22 Ų2242.8 Ų42.815%0.15422%0.218CC..Hα-helixtrans-65-39.1178.466.80000112.2N82 A83 F89N82-S85 PolarHBondContact N-OG 2.67Å; N82-S85 PolarHBondContact O-N 2.93Å; N82-S85 PolarHBondContact O-OG 3.34Å; N82-S85 PolarHBondContact OD1-N 3.04Å; N82-S85 PolarHBondContact OD1-OG 3.32Å; A83-S85 PolarHBondContact O-N 3.05Å; S85-F89 PolarHBondContact O-N 3.22Å; S85-F89 VanDerWaalsContact O-N 3.13Å
86A97.7Very high96.6Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-67.9-45.2175.900000111.9C24 F42 F80 N82 A83 R88 F89 E90C24-A86 PolarHBondContact SG-O 2.73Å; F42-A86 HydrophobicContact CD2-CB 3.7Å; F42-A86 HydrophobicContact CE2-CB 3.66Å; F80-A86 HydrophobicContact CB-CB 3.89Å; F80-A86 HydrophobicContact CD1-CB 4.11Å; F80-A86 HydrophobicContact CD2-CB 3.73Å; F80-A86 HydrophobicContact CE2-CB 4.29Å; F80-A86 HydrophobicContact CG-CB 3.64Å; N82-A86 PolarHBondContact O-N 2.75Å; A83-A86 PolarHBondContact O-N 3.12Å; A86-R88 VanDerWaalsContact C-N 3.35Å; A86-R88 PolarHBondContact O-N 3.46Å; A86-F89 CarbonylContact O-C 3.53Å; A86-F89 WeakPolarHBondContact O-CA 3.07Å; A86-F89 VanDerWaalsContact O-CB 3.32Å; A86-F89 WeakPolarHBondContact O-CB 3.48Å; A86-F89 PolarHBondContact O-N 3.09Å; A86-F89 VanDerWaalsContact O-N 3.11Å; A86-E90 PolarHBondContact O-N 3.3Å
87L98.2Very high96.5Very high76 Ų7648.3 Ų48.340%0.39825%0.248SC..Hα-helixtrans-63.4-39178.3-71.3165.4000112.1F42 A83 I84 F89 E90 W91F42-L87 HydrophobicContact CB-CD2 3.98Å; F42-L87 HydrophobicContact CD1-CD2 3.98Å; F42-L87 HydrophobicContact CD2-CD2 4.43Å; F42-L87 HydrophobicContact CG-CD2 3.87Å; F42-L87 HydrophobicContact CG-CG 4.43Å; A83-L87 HydrophobicContact CB-CD1 4.48Å; A83-L87 WeakPolarHBondContact O-CB 3.41Å; A83-L87 VanDerWaalsContact O-CG 3.23Å; A83-L87 WeakPolarHBondContact O-CG 3.46Å; A83-L87 PolarHBondContact O-N 3.31Å; I84-L87 PolarHBondContact O-N 2.89Å; L87-F89 VanDerWaalsContact C-N 3.31Å; L87-F89 PolarHBondContact O-N 2.8Å; L87-E90 PolarHBondContact O-N 3.09Å; L87-W91 WeakPolarHBondContact O-CB 3.23Å; L87-W91 PolarHBondContact O-N 3.05Å
88R98Very high96.5Very high180 Ų18054.1 Ų54.168%0.67928%0.278SS*.Hα-helixtrans-63.8-37.6173.1-74.5175.1175177.8-0.5112I84 A86 A92I84-R88 WeakPolarHBondContact O-CB 3.29Å; I84-R88 WeakPolarHBondContact O-CG 3.33Å; I84-R88 PolarHBondContact O-N 3.08Å; A86-R88 VanDerWaalsContact C-N 3.35Å; A86-R88 PolarHBondContact O-N 3.46Å; R88-A92 WeakPolarHBondContact O-CB 3.39Å; R88-A92 PolarHBondContact O-N 3.03Å
89F98.6Very high96.5Very high0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-65.4-51.9174-175.3-78.6000111C24 V77 F80 S85 A86 L87 W91 A92 W93 L123 M126 W132 L137C24-F89 HydrophobicContact CB-CD1 3.85Å; C24-F89 HydrophobicContact CB-CE1 4.15Å; V77-F89 HydrophobicContact CG1-CZ 4.23Å; V77-F89 HydrophobicContact CG2-CZ 4.49Å; F80-F89 HydrophobicContact CE1-CB 3.57Å; F80-F89 HydrophobicContact CE1-CD1 4.42Å; F80-F89 AromaticContact CE1-CD2 3.72Å; F80-F89 HydrophobicContact CE1-CD2 3.72Å; F80-F89 AromaticContact CE1-CG 3.67Å; F80-F89 HydrophobicContact CE1-CG 3.67Å; F80-F89 HydrophobicContact CZ-CB 3.75Å; F80-F89 AromaticContact CZ-CD1 3.78Å; F80-F89 HydrophobicContact CZ-CD1 3.78Å; F80-F89 AromaticContact CZ-CD2 3.72Å; F80-F89 HydrophobicContact CZ-CD2 3.72Å; F80-F89 HydrophobicContact CZ-CE1 4.28Å; F80-F89 HydrophobicContact CZ-CE2 4.23Å; F80-F89 AromaticContact CZ-CG 3.48Å; F80-F89 HydrophobicContact CZ-CG 3.48Å; F80-F89 VanDerWaalsContact CZ-CG 3.48Å; F80-F89 HydrophobicContact CZ-CZ 4.48Å; S85-F89 PolarHBondContact O-N 3.22Å; S85-F89 VanDerWaalsContact O-N 3.13Å; A86-F89 CarbonylContact O-C 3.53Å; A86-F89 WeakPolarHBondContact O-CA 3.07Å; A86-F89 VanDerWaalsContact O-CB 3.32Å; A86-F89 WeakPolarHBondContact O-CB 3.48Å; A86-F89 PolarHBondContact O-N 3.09Å; A86-F89 VanDerWaalsContact O-N 3.11Å; L87-F89 VanDerWaalsContact C-N 3.31Å; L87-F89 PolarHBondContact O-N 2.8Å; F89-W91 VanDerWaalsContact C-N 3.31Å; F89-W91 PolarHBondContact O-N 3.25Å; F89-A92 PolarHBondContact O-N 3.42Å; F89-W93 HydrophobicContact CD1-CE3 4.42Å; F89-W93 HydrophobicContact CE1-CD2 4.36Å; F89-W93 AromaticContact CE1-CE3 3.79Å; F89-W93 HydrophobicContact CE1-CE3 3.79Å; F89-W93 HydrophobicContact CE1-CZ3 4.35Å; F89-W93 PolarHBondContact O-N 2.77Å; F89-L123 HydrophobicContact CE1-CD1 4.2Å; F89-L123 HydrophobicContact CZ-CD1 3.58Å; F89-M126 HydrophobicContact CB-CE 4.48Å; F89-M126 HydrophobicContact CD1-CE 3.86Å; F89-M126 HydrophobicContact CD2-CE 3.58Å; F89-M126 HydrophobicContact CE1-CE 3.9Å; F89-M126 HydrophobicContact CE2-CB 4.25Å; F89-M126 HydrophobicContact CE2-CE 3.62Å; F89-M126 HydrophobicContact CG-CE 3.7Å; F89-M126 HydrophobicContact CZ-CB 4.49Å; F89-M126 HydrophobicContact CZ-CE 3.78Å; F89-M126 HydrophobicContact CZ-SD 4.49Å; F89-M126 VanDerWaalsContact O-CE 3.32Å; F89-M126 WeakPolarHBondContact O-CE 3.32Å; F89-W132 AromaticContact CD2-CD1 3.54Å; F89-W132 HydrophobicContact CD2-CD2 4.45Å; F89-W132 HydrophobicContact CD2-CG 4.01Å; F89-W132 AromaticContact CD2-NE1 3.65Å; F89-W132 HydrophobicContact CE2-CG 4.35Å; F89-L137 HydrophobicContact CD2-CD1 4.45Å; F89-L137 HydrophobicContact CE2-CD1 4.09Å
90E98.6Very high96.7Very high27 Ų2759.3 Ų59.313%0.12629%0.287CS..Hα-helixtrans-51-51176.4-179.3-161.1-149.800111.2I40 G41 F42 A86 L87 A92 W93 Q94I40-E90 HydrophobicContact CG2-CG 4.29Å; G41-E90 VanDerWaalsContact CA-OE1 3.26Å; G41-E90 WeakPolarHBondContact CA-OE1 3.15Å; F42-E90 HydrophobicContact CB-CG 4.49Å; F42-E90 PolarHBondContact N-OE1 2.98Å; A86-E90 PolarHBondContact O-N 3.3Å; L87-E90 PolarHBondContact O-N 3.09Å; E90-A92 PolarHBondContact O-N 3.34Å; E90-W93 PolarHBondContact O-N 2.91Å; E90-W93 VanDerWaalsContact O-N 3.16Å; E90-Q94 HydrophobicContact CG-CG 4.46Å; E90-Q94 WeakPolarHBondContact O-CG 3.43Å; E90-Q94 PolarHBondContact O-N 3.12Å; E90-Q94 PolarHBondContact OE1-NE2 3.2Å
91W98.4Very high96.7Very high123 Ų12364.6 Ų64.647%0.46631%0.307SS..Hα-helixtrans-60.3-44.6-178.2-176.991.4000112.1L87 F89 W93 Q94 N95 L98L87-W91 WeakPolarHBondContact O-CB 3.23Å; L87-W91 PolarHBondContact O-N 3.05Å; F89-W91 VanDerWaalsContact C-N 3.31Å; F89-W91 PolarHBondContact O-N 3.25Å; W91-W93 VanDerWaalsContact C-N 3.32Å; W91-W93 PolarHBondContact O-N 2.86Å; W91-Q94 PolarHBondContact O-N 2.82Å; W91-N95 HydrophobicContact CZ2-CB 4.28Å; W91-N95 WeakPolarHBondContact O-CB 3.24Å; W91-N95 PolarHBondContact O-N 3.47Å; W91-N95 PolarHBondContact O-ND2 3.28Å; W91-L98 HydrophobicContact CH2-CB 3.63Å; W91-L98 HydrophobicContact CZ2-CB 4.08Å; W91-L98 HydrophobicContact CZ2-CD1 4.43Å
92A98.5Very high97Very high2 Ų261.6 Ų61.62%0.01729%0.286CS..Hα-helixtrans-65.6-36.2177.600000111.9R88 F89 E90 N95 P96 L102 M126 W132R88-A92 WeakPolarHBondContact O-CB 3.39Å; R88-A92 PolarHBondContact O-N 3.03Å; F89-A92 PolarHBondContact O-N 3.42Å; E90-A92 PolarHBondContact O-N 3.34Å; A92-N95 CarbonylContact O-C 3.6Å; A92-N95 PolarHBondContact O-N 3.23Å; A92-P96 WeakPolarHBondContact O-CA 3.48Å; A92-P96 VanDerWaalsContact O-N 3.12Å; A92-L102 HydrophobicContact CB-CD1 4.24Å; A92-M126 HydrophobicContact CB-CE 3.9Å; A92-W132 HydrophobicContact CB-CH2 3.79Å; A92-W132 HydrophobicContact CB-CZ2 3.63Å
93W98.6Very high97.2Very high0 Ų063.4 Ų63.40%029%0.291CS..Hα-helixtrans-71.2-35.9177.5-166.314.1000112.5C24 I26 I40 L75 F89 E90 W91 R119 L123 M126C24-W93 HydrophobicContact CB-CE3 4.33Å; C24-W93 HydrophobicContact CB-CZ3 4.31Å; I26-W93 HydrophobicContact CB-CH2 3.75Å; I26-W93 HydrophobicContact CB-CZ2 4.04Å; I26-W93 HydrophobicContact CD1-CZ2 4.2Å; I26-W93 HydrophobicContact CG2-CH2 3.91Å; I26-W93 HydrophobicContact CG2-CZ2 4.23Å; I40-W93 HydrophobicContact CD1-CB 4.37Å; I40-W93 HydrophobicContact CD1-CD2 3.72Å; I40-W93 HydrophobicContact CD1-CE3 4.43Å; I40-W93 HydrophobicContact CD1-CG 3.65Å; I40-W93 HydrophobicContact CG1-CD2 4.02Å; I40-W93 HydrophobicContact CG1-CE3 4.26Å; I40-W93 HydrophobicContact CG1-CG 4.42Å; I40-W93 HydrophobicContact CG1-CZ2 4.48Å; I40-W93 HydrophobicContact CG2-CB 4.25Å; I40-W93 HydrophobicContact CG2-CD2 3.8Å; I40-W93 HydrophobicContact CG2-CE3 3.45Å; I40-W93 VanDerWaalsContact CG2-CE3 3.45Å; I40-W93 HydrophobicContact CG2-CG 4.16Å; I40-W93 HydrophobicContact CG2-CZ3 4.1Å; L75-W93 HydrophobicContact CD2-CH2 3.92Å; F89-W93 HydrophobicContact CD1-CE3 4.42Å; F89-W93 HydrophobicContact CE1-CD2 4.36Å; F89-W93 AromaticContact CE1-CE3 3.79Å; F89-W93 HydrophobicContact CE1-CE3 3.79Å; F89-W93 HydrophobicContact CE1-CZ3 4.35Å; F89-W93 PolarHBondContact O-N 2.77Å; E90-W93 PolarHBondContact O-N 2.91Å; E90-W93 VanDerWaalsContact O-N 3.16Å; W91-W93 VanDerWaalsContact C-N 3.32Å; W91-W93 PolarHBondContact O-N 2.86Å; W93-R119 PolarHBondContact NE1-O 2.82Å; W93-R119 PolarHBondContact O-NH1 3.45Å; W93-L123 HydrophobicContact CH2-CD2 4.05Å; W93-L123 HydrophobicContact CZ2-CB 3.92Å; W93-L123 HydrophobicContact CZ2-CD2 3.91Å; W93-L123 HydrophobicContact CZ2-CG 4.33Å; W93-M126 HydrophobicContact CB-CE 3.99Å; W93-M126 HydrophobicContact CB-SD 3.64Å; W93-M126 HydrophobicContact CG-SD 4.01Å
94Q98Very high97.3Very high58 Ų5868.5 Ų68.527%0.27131%0.314SS..Hα-helixtrans-69.2-40172.2-74.1176.1-1.700111.8I40 E90 W91 P96 R119I40-Q94 HydrophobicContact CB-CG 3.91Å; I40-Q94 HydrophobicContact CG2-CG 4.02Å; I40-Q94 PolarHBondContact O-NE2 2.92Å; E90-Q94 HydrophobicContact CG-CG 4.46Å; E90-Q94 WeakPolarHBondContact O-CG 3.43Å; E90-Q94 PolarHBondContact O-N 3.12Å; E90-Q94 PolarHBondContact OE1-NE2 3.2Å; W91-Q94 PolarHBondContact O-N 2.82Å; Q94-P96 VanDerWaalsContact O-CD 3.24Å; Q94-P96 WeakPolarHBondContact O-CD 3.4Å; Q94-R119 PolarHBondContact O-NH1 3.27Å; Q94-R119 PolarHBondContact O-NH2 3.43Å
95N97.9Very high97.2Very high54 Ų5466.5 Ų66.529%0.28931%0.309SS..  trans-122.657.4-170.6-52.8-73.8000113W91 A92 N97 L98 S99W91-N95 HydrophobicContact CZ2-CB 4.28Å; W91-N95 WeakPolarHBondContact O-CB 3.24Å; W91-N95 PolarHBondContact O-N 3.47Å; W91-N95 PolarHBondContact O-ND2 3.28Å; A92-N95 CarbonylContact O-C 3.6Å; A92-N95 PolarHBondContact O-N 3.23Å; N95-N97 VanDerWaalsContact C-N 3.25Å; N95-N97 PolarHBondContact O-N 3.31Å; N95-L98 HydrophobicContact CB-CB 4.19Å; N95-L98 HydrophobicContact CB-CD1 4.19Å; N95-L98 HydrophobicContact CB-CG 4.36Å; N95-L98 PolarHBondContact O-N 3.41Å; N95-S99 PolarHBondContact O-N 3.26Å; N95-S99 VanDerWaalsContact O-N 3.16Å
96P97.6Very high97.3Very high4 Ų467 Ų673%0.02631%0.31CS..G310 helixtrans-57.6-36.8-173.918.5-29.8000113.2A92 Q94 L98 S99 L102 L106 V122A92-P96 WeakPolarHBondContact O-CA 3.48Å; A92-P96 VanDerWaalsContact O-N 3.12Å; Q94-P96 VanDerWaalsContact O-CD 3.24Å; Q94-P96 WeakPolarHBondContact O-CD 3.4Å; P96-L98 VanDerWaalsContact C-N 3.26Å; P96-L98 PolarHBondContact O-N 2.76Å; P96-S99 PolarHBondContact O-N 3.48Å; P96-L102 HydrophobicContact CB-CD1 4.36Å; P96-L106 HydrophobicContact CB-CD1 4.07Å; P96-L106 HydrophobicContact CB-CD2 3.55Å; P96-L106 HydrophobicContact CB-CG 4.49Å; P96-V122 HydrophobicContact CB-CG1 3.86Å; P96-V122 HydrophobicContact CB-CG2 4.29Å; P96-V122 HydrophobicContact CG-CG1 4.26Å; P96-V122 HydrophobicContact CG-CG2 4.3Å
97N97.1Very high97.1Very high112 Ų11268.4 Ų68.460%0.59932%0.319SS*.G310 helixtrans-67.5-23.8179.1-59.4-30.7000113.5N95 L106N95-N97 VanDerWaalsContact C-N 3.25Å; N95-N97 PolarHBondContact O-N 3.31Å; N97-L106 HydrophobicContact CB-CD1 4.44Å; N97-L106 WeakPolarHBondContact OD1-CD1 3.44Å
98L97.8Very high97Very high122 Ų12270.7 Ų70.764%0.63934%0.335SS*.G310 helixtrans-96.4-14179.5-56.5-177.7000112W91 N95 P96 R100W91-L98 HydrophobicContact CH2-CB 3.63Å; W91-L98 HydrophobicContact CZ2-CB 4.08Å; W91-L98 HydrophobicContact CZ2-CD1 4.43Å; N95-L98 HydrophobicContact CB-CB 4.19Å; N95-L98 HydrophobicContact CB-CD1 4.19Å; N95-L98 HydrophobicContact CB-CG 4.36Å; N95-L98 PolarHBondContact O-N 3.41Å; P96-L98 VanDerWaalsContact C-N 3.26Å; P96-L98 PolarHBondContact O-N 2.76Å; L98-R100 PolarHBondContact O-N 2.97Å
99S97.4Very high96.8Very high7 Ų769.4 Ų69.45%0.04933%0.33CS..  trans-74.1112.9177.7176.90000110N95 P96 R101 L102 K103N95-S99 PolarHBondContact O-N 3.26Å; N95-S99 VanDerWaalsContact O-N 3.16Å; P96-S99 PolarHBondContact O-N 3.48Å; S99-R101 PolarHBondContact O-N 3.23Å; S99-R101 PolarHBondContact OG-N 2.64Å; S99-L102 PolarHBondContact O-N 3.44Å; S99-K103 WeakPolarHBondContact O-CB 3.5Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 2.96Å
100R95.6Very high96.6Very high192 Ų19273.7 Ų73.773%0.72535%0.349SS*.THydrogen-bonded Turntrans-50.2-28.6172.7-178.8172.364.694.6-6.6113.3L98L98-R100 PolarHBondContact O-N 2.97Å
101R94.7Very high96.4Very high114 Ų11477.9 Ų77.943%0.4338%0.381SS..THydrogen-bonded Turntrans-81.4-18-178.9-65.9-178.1175.4-78.5-1.9113.8S99 T129 G130 P131 W132S99-R101 PolarHBondContact O-N 3.23Å; S99-R101 PolarHBondContact OG-N 2.64Å; R101-T129 HydrophobicContact CB-CG2 4.2Å; R101-G130 WeakPolarHBondContact CD-O 3.49Å; R101-G130 PolarHBondContact NH1-O 3.35Å; R101-P131 VanDerWaalsContact CZ-CD 3.46Å; R101-W132 HydrophobicContact CB-CH2 3.92Å; R101-W132 HydrophobicContact CB-CZ3 3.92Å
102L96.9Very high96.2Very high0 Ų083.7 Ų83.70%040%0.403CS..THydrogen-bonded Turntrans-119.1-34-171.3-58.3173.8000112.8A92 P96 S99 D104 S105 L106 L125 M126 T129 W132A92-L102 HydrophobicContact CB-CD1 4.24Å; P96-L102 HydrophobicContact CB-CD1 4.36Å; S99-L102 PolarHBondContact O-N 3.44Å; L102-D104 PolarHBondContact O-N 3.32Å; L102-S105 CarbonylContact O-C 3.34Å; L102-S105 PolarHBondContact O-N 3.49Å; L102-S105 PolarHBondContact O-OG 3.01Å; L102-L106 HydrophobicContact CB-CD2 3.69Å; L102-L106 HydrophobicContact CB-CG 4.49Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.23Å; L102-L106 PolarHBondContact O-N 3.28Å; L102-L125 HydrophobicContact CB-CD2 4.46Å; L102-L125 HydrophobicContact CD2-CD2 3.83Å; L102-L125 HydrophobicContact CD2-CG 3.84Å; L102-M126 HydrophobicContact CD1-CG 3.59Å; L102-M126 HydrophobicContact CD1-SD 4.01Å; L102-M126 HydrophobicContact CD2-CG 3.77Å; L102-M126 HydrophobicContact CG-CG 4.3Å; L102-T129 HydrophobicContact CD2-CG2 4.44Å; L102-W132 HydrophobicContact CD1-CH2 4.16Å; L102-W132 HydrophobicContact CD1-CZ3 4.37Å; L102-W132 HydrophobicContact CD2-CH2 4.27Å; L102-W132 HydrophobicContact CD2-CZ3 3.7Å; L102-W132 HydrophobicContact CG-CH2 4.08Å; L102-W132 HydrophobicContact CG-CZ3 4.01Å
103K95.4Very high96.1Very high106 Ų10685.4 Ų85.446%0.46141%0.411SS..THydrogen-bonded Turntrans-47.8-38.8-16858.8164-167.4165.10114.7S99S99-K103 WeakPolarHBondContact O-CB 3.5Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 2.96Å
104D95.1Very high95.9Very high136 Ų13688.4 Ų88.473%0.72743%0.429SS*.THydrogen-bonded Turntrans-89.6-11.2-174-53.5-38.8000112.6L102L102-D104 PolarHBondContact O-N 3.32Å
105S95.5Very high95.8Very high61 Ų6187.8 Ų87.843%0.42743%0.431SS..SBendtrans-12013.2-178.858.50000112.9L102 L125L102-S105 CarbonylContact O-C 3.34Å; L102-S105 PolarHBondContact O-N 3.49Å; L102-S105 PolarHBondContact O-OG 3.01Å; S105-L125 VanDerWaalsContact O-CD2 3.26Å; S105-L125 WeakPolarHBondContact O-CD2 3.4Å
106L97Very high95.8Very high33 Ų3385.6 Ų85.617%0.17342%0.42CS..PPolyproline II helixtrans-62.5140.5-176.3-72.9-177.3000112.2P96 N97 L102 V108 L125P96-L106 HydrophobicContact CB-CD1 4.07Å; P96-L106 HydrophobicContact CB-CD2 3.55Å; P96-L106 HydrophobicContact CB-CG 4.49Å; N97-L106 HydrophobicContact CB-CD1 4.44Å; N97-L106 WeakPolarHBondContact OD1-CD1 3.44Å; L102-L106 HydrophobicContact CB-CD2 3.69Å; L102-L106 HydrophobicContact CB-CG 4.49Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.23Å; L102-L106 PolarHBondContact O-N 3.28Å; L106-V108 PolarHBondContact O-N 3.27Å; L106-L125 HydrophobicContact CD2-CD2 4.07Å
107P94.6Very high95.7Very high29 Ų2987.5 Ų87.519%0.18843%0.43CS..PPolyproline II helixtrans-67.3131.9176.129.1-34.2000110.1R109 Y118 R121 V122P107-R109 PolarHBondContact O-N 2.88Å; P107-Y118 HydrophobicContact CG-CE2 4.28Å; P107-R121 HydrophobicContact CB-CB 4.34Å; P107-R121 VanDerWaalsContact CB-NH1 3.34Å; P107-R121 HydrophobicContact CG-CB 4.04Å; P107-V122 HydrophobicContact CG-CG2 4.2Å
108V95Very high95.7Very high124 Ų12482.7 Ų82.775%0.75240%0.403SS*.PPolyproline II helixtrans-62.6136.7173.7-178.30000109.2L106 K110 R121L106-V108 PolarHBondContact O-N 3.27Å; V108-K110 PolarHBondContact O-N 3.31Å; V108-R121 PolarHBondContact O-NH1 3.17Å; V108-R121 PolarHBondContact O-NH2 3.24Å
109R94.9Very high95.7Very high153 Ų15379.1 Ų79.158%0.57738%0.381SS*.PPolyproline II helixtrans-66131.3177.1-77.9-173.8173.9-136.40.7110.8P107 E113 Y118P107-R109 PolarHBondContact O-N 2.88Å; R109-E113 WeakPolarHBondContact CA-OE2 3.3Å; R109-Y118 HydrophobicContact CG-CD2 3.59Å; R109-Y118 HydrophobicContact CG-CE2 3.63Å; R109-Y118 HydrophobicContact CG-CG 4.33Å
110K93.8Very high95.8Very high90 Ų9078.9 Ų78.939%0.39138%0.379SS..PPolyproline II helixtrans-82.5156.8176.8-58.9-176177.9-166.40110.2V108 R112 E113 E152V108-K110 PolarHBondContact O-N 3.31Å; K110-R112 PolarHBondContact O-N 3Å; K110-E113 HydrophobicContact CB-CB 4.08Å; K110-E113 PolarHBondContact N-OE2 2.88Å; K110-E113 WeakPolarHBondContact O-CB 3.48Å; K110-E113 PolarHBondContact O-N 3.17Å; K110-E152 IonicContact NZ-OE1 2.69Å; K110-E152 PolarHBondContact NZ-OE1 3.15Å; K110-E152 IonicContact NZ-OE2 2.7Å; K110-E152 PolarHBondContact NZ-OE2 3.12Å
111S95.4Very high95.9Very high115 Ų11571.3 Ų71.380%0.80435%0.35SS*.THydrogen-bonded Turntrans-59.8135.7172.1-175.60000110.5E113S111-E113 PolarHBondContact O-N 3.04Å
112R93.9Very high96Very high245 Ų24565.9 Ų65.993%0.92533%0.33SS*.THydrogen-bonded Turntrans56.816.7-178-55.1178.2-179.9172.7-0.1115.1K110 T114K110-R112 PolarHBondContact O-N 3Å; R112-T114 PolarHBondContact O-N 2.89Å
113E95.3Very high96.1Very high38 Ų3865.9 Ų65.918%0.17833%0.33CS..  trans-65.1131.6179.1-172.9176.8-151.400111.4R109 K110 S111 D117 Y118 R121R109-E113 WeakPolarHBondContact CA-OE2 3.3Å; K110-E113 HydrophobicContact CB-CB 4.08Å; K110-E113 PolarHBondContact N-OE2 2.88Å; K110-E113 WeakPolarHBondContact O-CB 3.48Å; K110-E113 PolarHBondContact O-N 3.17Å; S111-E113 PolarHBondContact O-N 3.04Å; E113-D117 HydrophobicContact CG-CB 4.05Å; E113-Y118 VanDerWaalsContact OE1-CA 3.3Å; E113-Y118 WeakPolarHBondContact OE1-CA 3.46Å; E113-Y118 PolarHBondContact OE1-N 3.31Å; E113-R121 IonicContact OE1-CZ 3.05Å; E113-R121 IonicContact OE1-NE 2.68Å; E113-R121 PolarHBondContact OE1-NE 3.01Å; E113-R121 IonicContact OE1-NH2 2.69Å; E113-R121 PolarHBondContact OE1-NH2 3.36Å; E113-R121 IonicContact OE2-CZ 3.74Å; E113-R121 IonicContact OE2-NH2 3.79Å; E113-R121 PolarHBondContact OE2-NH2 3.32Å
114T95.8Very high96.2Very high63 Ų6360.8 Ų60.839%0.38731%0.308SS..  trans-71.9154.217676.40000110.7R112 F116 D117 Y118R112-T114 PolarHBondContact O-N 2.89Å; T114-F116 PolarHBondContact O-N 3.28Å; T114-F116 VanDerWaalsContact O-N 3.12Å; T114-F116 PolarHBondContact OG1-N 3.05Å; T114-D117 WeakPolarHBondContact CB-OD2 3.45Å; T114-D117 WeakPolarHBondContact CG2-OD2 3.45Å; T114-D117 PolarHBondContact O-N 3.29Å; T114-D117 PolarHBondContact OG1-N 3.46Å; T114-D117 PolarHBondContact OG1-OD2 3.46Å; T114-Y118 PolarHBondContact O-N 2.94Å; T114-Y118 VanDerWaalsContact O-N 3.1Å
115S95.3Very high96.4Very high45 Ų4555.1 Ų55.132%0.31528%0.278SS..Hα-helixtrans-57.8-27.4171.2-179.30000112T38 R119T38-S115 PolarHBondContact OG1-OG 3.33Å; T38-S115 VanDerWaalsContact OG1-OG 3.11Å; S115-R119 WeakPolarHBondContact O-CG 3.4Å; S115-R119 PolarHBondContact O-N 3.44Å
116F97Very high96.5Very high9 Ų952.2 Ų52.24%0.03926%0.257CS..Hα-helixtrans-70.6-52.4178.5-178.9-120.9000111I26 L28 T38 V74 T114 Y118 R119 L120 W141I26-F116 HydrophobicContact CD1-CD2 3.75Å; I26-F116 HydrophobicContact CD1-CE2 4Å; I26-F116 HydrophobicContact CG1-CD2 4.32Å; I26-F116 HydrophobicContact CG1-CE2 4.31Å; I26-F116 HydrophobicContact CG2-CE2 4.03Å; L28-F116 HydrophobicContact CD1-CD1 4.36Å; L28-F116 HydrophobicContact CD1-CD2 4.16Å; L28-F116 HydrophobicContact CD1-CE1 4.4Å; L28-F116 HydrophobicContact CD1-CE2 4.23Å; L28-F116 HydrophobicContact CD1-CG 4.22Å; L28-F116 HydrophobicContact CD1-CZ 4.33Å; L28-F116 HydrophobicContact CD2-CB 4.08Å; L28-F116 HydrophobicContact CD2-CD2 3.7Å; L28-F116 HydrophobicContact CD2-CE2 4.36Å; L28-F116 HydrophobicContact CD2-CG 3.99Å; L28-F116 HydrophobicContact CG-CD2 4.2Å; L28-F116 HydrophobicContact CG-CE2 4.38Å; T38-F116 HydrophobicContact CG2-CB 3.9Å; T38-F116 HydrophobicContact CG2-CD2 4.18Å; V74-F116 HydrophobicContact CG2-CE2 3.58Å; V74-F116 HydrophobicContact CG2-CZ 3.75Å; T114-F116 PolarHBondContact O-N 3.28Å; T114-F116 VanDerWaalsContact O-N 3.12Å; T114-F116 PolarHBondContact OG1-N 3.05Å; F116-Y118 VanDerWaalsContact C-N 3.33Å; F116-Y118 PolarHBondContact O-N 3.49Å; F116-R119 PolarHBondContact O-N 3.32Å; F116-L120 HydrophobicContact CD1-CD1 4.12Å; F116-L120 HydrophobicContact CE1-CD1 3.72Å; F116-L120 HydrophobicContact CE1-CG 4.4Å; F116-L120 HydrophobicContact CE2-CD1 4.45Å; F116-L120 HydrophobicContact CE2-CD2 4.08Å; F116-L120 HydrophobicContact CE2-CG 4.3Å; F116-L120 HydrophobicContact CZ-CD1 3.9Å; F116-L120 HydrophobicContact CZ-CD2 4.08Å; F116-L120 HydrophobicContact CZ-CG 4.22Å; F116-L120 WeakPolarHBondContact O-CG 3.12Å; F116-L120 PolarHBondContact O-N 3.02Å; F116-W141 HydrophobicContact CZ-CH2 4.12Å; F116-W141 AromaticContact CZ-CZ3 3.93Å; F116-W141 HydrophobicContact CZ-CZ3 3.93Å
117D96.7Very high96.6Very high44 Ų4450.7 Ų50.724%0.23525%0.249CC..Hα-helixtrans-61.9-40.4-178.7-56.9-47.7000111.7E113 T114 R119 L120 R121 R148E113-D117 HydrophobicContact CG-CB 4.05Å; T114-D117 WeakPolarHBondContact CB-OD2 3.45Å; T114-D117 WeakPolarHBondContact CG2-OD2 3.45Å; T114-D117 PolarHBondContact O-N 3.29Å; T114-D117 PolarHBondContact OG1-N 3.46Å; T114-D117 PolarHBondContact OG1-OD2 3.46Å; D117-R119 VanDerWaalsContact C-N 3.32Å; D117-R119 PolarHBondContact O-N 3.35Å; D117-L120 PolarHBondContact O-N 2.96Å; D117-R121 PolarHBondContact O-N 3.43Å; D117-R148 IonicContact OD1-CZ 2.64Å; D117-R148 IonicContact OD1-NE 3.81Å; D117-R148 IonicContact OD1-NH1 3.9Å; D117-R148 PolarHBondContact OD1-NH1 3.32Å
118Y97.1Very high96.6Very high11 Ų1151.3 Ų51.34%0.04325%0.254CS..Hα-helixtrans-58.5-43.4173.4177.3-105.5000112P107 R109 E113 T114 F116 L120 R121 V122P107-Y118 HydrophobicContact CG-CE2 4.28Å; R109-Y118 HydrophobicContact CG-CD2 3.59Å; R109-Y118 HydrophobicContact CG-CE2 3.63Å; R109-Y118 HydrophobicContact CG-CG 4.33Å; E113-Y118 VanDerWaalsContact OE1-CA 3.3Å; E113-Y118 WeakPolarHBondContact OE1-CA 3.46Å; E113-Y118 PolarHBondContact OE1-N 3.31Å; T114-Y118 PolarHBondContact O-N 2.94Å; T114-Y118 VanDerWaalsContact O-N 3.1Å; F116-Y118 VanDerWaalsContact C-N 3.33Å; F116-Y118 PolarHBondContact O-N 3.49Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 3.07Å; Y118-R121 PolarHBondContact O-N 3.14Å; Y118-V122 HydrophobicContact CD1-CG2 4.33Å; Y118-V122 HydrophobicContact CE1-CG2 3.86Å; Y118-V122 HydrophobicContact CE2-CG2 4.29Å; Y118-V122 WeakPolarHBondContact O-CG2 3.27Å; Y118-V122 PolarHBondContact O-N 2.93Å
119R97.9Very high96.6Very high47 Ų4746.6 Ų46.618%0.17723%0.226CC..Hα-helixtrans-69.9-29.5179.4-67.4-67-172.1-179.70112.4I26 I40 W93 Q94 S115 F116 D117 L123I26-R119 HydrophobicContact CD1-CB 3.75Å; I26-R119 HydrophobicContact CD1-CG 4.39Å; I40-R119 HydrophobicContact CD1-CB 4.48Å; I40-R119 HydrophobicContact CD1-CG 4.19Å; W93-R119 PolarHBondContact NE1-O 2.82Å; W93-R119 PolarHBondContact O-NH1 3.45Å; Q94-R119 PolarHBondContact O-NH1 3.27Å; Q94-R119 PolarHBondContact O-NH2 3.43Å; S115-R119 WeakPolarHBondContact O-CG 3.4Å; S115-R119 PolarHBondContact O-N 3.44Å; F116-R119 PolarHBondContact O-N 3.32Å; D117-R119 VanDerWaalsContact C-N 3.32Å; D117-R119 PolarHBondContact O-N 3.35Å; R119-L123 WeakPolarHBondContact O-CB 3.19Å; R119-L123 PolarHBondContact O-N 3.3Å
120L98Very high96.5Very high2 Ų240 Ų401%0.0121%0.205CC..Hα-helixtrans-67.2-41.1171.7-64.3178.8000111.7L75 F116 D117 Y118 L123 A124 W141 R148 L150L75-L120 HydrophobicContact CD1-CD2 4.25Å; F116-L120 HydrophobicContact CD1-CD1 4.12Å; F116-L120 HydrophobicContact CE1-CD1 3.72Å; F116-L120 HydrophobicContact CE1-CG 4.4Å; F116-L120 HydrophobicContact CE2-CD1 4.45Å; F116-L120 HydrophobicContact CE2-CD2 4.08Å; F116-L120 HydrophobicContact CE2-CG 4.3Å; F116-L120 HydrophobicContact CZ-CD1 3.9Å; F116-L120 HydrophobicContact CZ-CD2 4.08Å; F116-L120 HydrophobicContact CZ-CG 4.22Å; F116-L120 WeakPolarHBondContact O-CG 3.12Å; F116-L120 PolarHBondContact O-N 3.02Å; D117-L120 PolarHBondContact O-N 2.96Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 3.07Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 2.92Å; L120-L123 VanDerWaalsContact O-N 3.17Å; L120-A124 PolarHBondContact O-N 2.88Å; L120-W141 HydrophobicContact CD1-CH2 3.88Å; L120-W141 HydrophobicContact CD2-CH2 3.85Å; L120-W141 HydrophobicContact CD2-CZ2 4.44Å; L120-R148 HydrophobicContact CD1-CG 3.78Å; L120-L150 CarbonylContact C-O 3.21Å; L120-L150 VanDerWaalsContact C-O 3.23Å; L120-L150 HydrophobicContact CB-CD2 4.46Å; L120-L150 HydrophobicContact CD2-CD2 4Å
121R97.9Very high96.4Very high32 Ų3238 Ų3812%0.12120%0.201CC..Hα-helixtrans-66.8-37.4175.3-66.4-168.3-58.3133.38.1112.6P107 V108 E113 D117 Y118 L123 A124 L125 L150P107-R121 HydrophobicContact CB-CB 4.34Å; P107-R121 VanDerWaalsContact CB-NH1 3.34Å; P107-R121 HydrophobicContact CG-CB 4.04Å; V108-R121 PolarHBondContact O-NH1 3.17Å; V108-R121 PolarHBondContact O-NH2 3.24Å; E113-R121 IonicContact OE1-CZ 3.05Å; E113-R121 IonicContact OE1-NE 2.68Å; E113-R121 PolarHBondContact OE1-NE 3.01Å; E113-R121 IonicContact OE1-NH2 2.69Å; E113-R121 PolarHBondContact OE1-NH2 3.36Å; E113-R121 IonicContact OE2-CZ 3.74Å; E113-R121 IonicContact OE2-NH2 3.79Å; E113-R121 PolarHBondContact OE2-NH2 3.32Å; D117-R121 PolarHBondContact O-N 3.43Å; Y118-R121 PolarHBondContact O-N 3.14Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-A124 PolarHBondContact O-N 3.27Å; R121-L125 PolarHBondContact O-N 3.43Å; R121-L150 WeakPolarHBondContact CA-O 3.16Å; R121-L150 WeakPolarHBondContact CG-O 3.49Å; R121-L150 PolarHBondContact N-O 2.92Å
122V98.2Very high96.4Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-61.9-42.3170.8172.10000110.8P96 P107 Y118 L125 M126P96-V122 HydrophobicContact CB-CG1 3.86Å; P96-V122 HydrophobicContact CB-CG2 4.29Å; P96-V122 HydrophobicContact CG-CG1 4.26Å; P96-V122 HydrophobicContact CG-CG2 4.3Å; P107-V122 HydrophobicContact CG-CG2 4.2Å; Y118-V122 HydrophobicContact CD1-CG2 4.33Å; Y118-V122 HydrophobicContact CE1-CG2 3.86Å; Y118-V122 HydrophobicContact CE2-CG2 4.29Å; Y118-V122 WeakPolarHBondContact O-CG2 3.27Å; Y118-V122 PolarHBondContact O-N 2.93Å; V122-L125 PolarHBondContact O-N 2.83Å; V122-M126 HydrophobicContact CG1-SD 4.16Å; V122-M126 WeakPolarHBondContact O-CG 3.26Å; V122-M126 PolarHBondContact O-N 3.35Å
123L98.6Very high96.4Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-59.5-47.7174.4170.261.3000111.1L75 V77 F89 W93 R119 L120 R121 L125 M126 L127 L150L75-L123 HydrophobicContact CD1-CD2 4.23Å; L75-L123 HydrophobicContact CD2-CD2 3.68Å; V77-L123 HydrophobicContact CG2-CD1 3.74Å; V77-L123 HydrophobicContact CG2-CD2 4.02Å; F89-L123 HydrophobicContact CE1-CD1 4.2Å; F89-L123 HydrophobicContact CZ-CD1 3.58Å; W93-L123 HydrophobicContact CH2-CD2 4.05Å; W93-L123 HydrophobicContact CZ2-CB 3.92Å; W93-L123 HydrophobicContact CZ2-CD2 3.91Å; W93-L123 HydrophobicContact CZ2-CG 4.33Å; R119-L123 WeakPolarHBondContact O-CB 3.19Å; R119-L123 PolarHBondContact O-N 3.3Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 2.92Å; L120-L123 VanDerWaalsContact O-N 3.17Å; R121-L123 VanDerWaalsContact C-N 3.33Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.84Å; L123-M126 WeakPolarHBondContact O-CB 3.4Å; L123-M126 PolarHBondContact O-N 2.79Å; L123-M126 VanDerWaalsContact O-N 3.1Å; L123-L127 HydrophobicContact CD1-CD1 3.98Å; L123-L127 HydrophobicContact CD1-CD2 4.18Å; L123-L127 HydrophobicContact CD1-CG 3.91Å; L123-L127 HydrophobicContact CG-CD1 4Å; L123-L127 HydrophobicContact CG-CG 4.38Å; L123-L127 VanDerWaalsContact O-CG 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.44Å; L123-L127 PolarHBondContact O-N 3.48Å; L123-L150 HydrophobicContact CD2-CD1 4.3Å; L123-L150 HydrophobicContact CD2-CD2 4.28Å; L123-L150 HydrophobicContact CG-CD1 4.43Å
124A98.2Very high96.3Very high0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-56.6-44.7176.800000112L120 R121 M126 L127 C128 L150 L154L120-A124 PolarHBondContact O-N 2.88Å; R121-A124 PolarHBondContact O-N 3.27Å; A124-M126 PolarHBondContact O-N 3.37Å; A124-L127 PolarHBondContact O-N 3.2Å; A124-C128 PolarHBondContact O-N 3.11Å; A124-C128 PolarHBondContact O-SG 2.94Å; A124-L150 HydrophobicContact CB-CB 3.87Å; A124-L154 HydrophobicContact CB-CB 3.92Å
125L98Very high96.2Very high17 Ų1720.3 Ų20.39%0.08911%0.112CC..Hα-helixtrans-59-45.7174.3177.564.7000111.9L102 S105 L106 R121 V122 L123 L127 C128 T129 L154L102-L125 HydrophobicContact CB-CD2 4.46Å; L102-L125 HydrophobicContact CD2-CD2 3.83Å; L102-L125 HydrophobicContact CD2-CG 3.84Å; S105-L125 VanDerWaalsContact O-CD2 3.26Å; S105-L125 WeakPolarHBondContact O-CD2 3.4Å; L106-L125 HydrophobicContact CD2-CD2 4.07Å; R121-L125 PolarHBondContact O-N 3.43Å; V122-L125 PolarHBondContact O-N 2.83Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.84Å; L125-L127 PolarHBondContact O-N 2.83Å; L125-C128 CarbonylContact O-C 3.23Å; L125-C128 PolarHBondContact O-N 3.43Å; L125-T129 VanDerWaalsContact O-CB 3.29Å; L125-T129 WeakPolarHBondContact O-CB 3.49Å; L125-T129 PolarHBondContact O-N 3.23Å; L125-T129 PolarHBondContact O-OG1 3.32Å; L125-L154 HydrophobicContact CB-CD1 4.09Å; L125-L154 HydrophobicContact CD1-CD1 4.27Å
126M98.3Very high96.2Very high0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-60-46.3177.8-72174.768.700111.8F89 A92 W93 L102 V122 L123 A124 C128 T129 W132F89-M126 HydrophobicContact CB-CE 4.48Å; F89-M126 HydrophobicContact CD1-CE 3.86Å; F89-M126 HydrophobicContact CD2-CE 3.58Å; F89-M126 HydrophobicContact CE1-CE 3.9Å; F89-M126 HydrophobicContact CE2-CB 4.25Å; F89-M126 HydrophobicContact CE2-CE 3.62Å; F89-M126 HydrophobicContact CG-CE 3.7Å; F89-M126 HydrophobicContact CZ-CB 4.49Å; F89-M126 HydrophobicContact CZ-CE 3.78Å; F89-M126 HydrophobicContact CZ-SD 4.49Å; F89-M126 VanDerWaalsContact O-CE 3.32Å; F89-M126 WeakPolarHBondContact O-CE 3.32Å; A92-M126 HydrophobicContact CB-CE 3.9Å; W93-M126 HydrophobicContact CB-CE 3.99Å; W93-M126 HydrophobicContact CB-SD 3.64Å; W93-M126 HydrophobicContact CG-SD 4.01Å; L102-M126 HydrophobicContact CD1-CG 3.59Å; L102-M126 HydrophobicContact CD1-SD 4.01Å; L102-M126 HydrophobicContact CD2-CG 3.77Å; L102-M126 HydrophobicContact CG-CG 4.3Å; V122-M126 HydrophobicContact CG1-SD 4.16Å; V122-M126 WeakPolarHBondContact O-CG 3.26Å; V122-M126 PolarHBondContact O-N 3.35Å; L123-M126 WeakPolarHBondContact O-CB 3.4Å; L123-M126 PolarHBondContact O-N 2.79Å; L123-M126 VanDerWaalsContact O-N 3.1Å; A124-M126 PolarHBondContact O-N 3.37Å; M126-C128 PolarHBondContact O-N 3.13Å; M126-T129 PolarHBondContact O-N 2.96Å; M126-W132 HydrophobicContact CB-CD2 4.45Å; M126-W132 HydrophobicContact CB-CE3 4.01Å; M126-W132 HydrophobicContact CB-CZ3 4.3Å; M126-W132 HydrophobicContact CE-CD2 4.41Å; M126-W132 HydrophobicContact CE-CH2 4.19Å; M126-W132 HydrophobicContact CE-CZ2 3.93Å; M126-W132 HydrophobicContact CG-CE3 4.25Å; M126-W132 HydrophobicContact CG-CH2 4.37Å; M126-W132 HydrophobicContact CG-CZ3 4.03Å; M126-W132 VanDerWaalsContact O-CB 3.31Å; M126-W132 WeakPolarHBondContact O-CB 3.37Å
127L97.9Very high96.1Very high0 Ų019.1 Ų19.10%011%0.109CC..Hα-helixtrans-61.4-26.4179.4-62.6170.1000112.6V77 L123 A124 L125 N133 L137 I139 L150 P156 P157 M160V77-L127 HydrophobicContact CG1-CD2 4.48Å; L123-L127 HydrophobicContact CD1-CD1 3.98Å; L123-L127 HydrophobicContact CD1-CD2 4.18Å; L123-L127 HydrophobicContact CD1-CG 3.91Å; L123-L127 HydrophobicContact CG-CD1 4Å; L123-L127 HydrophobicContact CG-CG 4.38Å; L123-L127 VanDerWaalsContact O-CG 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.44Å; L123-L127 PolarHBondContact O-N 3.48Å; A124-L127 PolarHBondContact O-N 3.2Å; L125-L127 PolarHBondContact O-N 2.83Å; L127-N133 WeakPolarHBondContact O-CA 3.31Å; L127-N133 VanDerWaalsContact O-CB 3.22Å; L127-N133 WeakPolarHBondContact O-CB 3.48Å; L127-L137 HydrophobicContact CD2-CD1 4.11Å; L127-I139 HydrophobicContact CD1-CD1 3.88Å; L127-I139 HydrophobicContact CD1-CG1 3.71Å; L127-I139 HydrophobicContact CD2-CD1 4.18Å; L127-I139 HydrophobicContact CD2-CG1 4.33Å; L127-L150 HydrophobicContact CD1-CD1 3.86Å; L127-P156 HydrophobicContact CD1-CB 4.24Å; L127-P156 HydrophobicContact CD1-CG 3.92Å; L127-P157 WeakPolarHBondContact O-CD 2.91Å; L127-P157 WeakPolarHBondContact O-CG 3.32Å; L127-M160 HydrophobicContact CB-SD 4.06Å; L127-M160 HydrophobicContact CD2-SD 3.7Å; L127-M160 HydrophobicContact CG-SD 4.4Å
128C96Very high96.1Very high43 Ų4318.2 Ų18.229%0.29111%0.105SC..Hα-helixtrans-94.6-3.7176.4-61.10000114.1A124 L125 M126 N133 V155A124-C128 PolarHBondContact O-N 3.11Å; A124-C128 PolarHBondContact O-SG 2.94Å; L125-C128 CarbonylContact O-C 3.23Å; L125-C128 PolarHBondContact O-N 3.43Å; M126-C128 PolarHBondContact O-N 3.13Å; C128-N133 PolarHBondContact O-ND2 3Å; C128-V155 PolarHBondContact SG-O 2.96Å; C128-V155 VanDerWaalsContact SG-O 3.35Å
129T94.8Very high96.1Very high25 Ų2517.7 Ų17.715%0.15310%0.103CC..SBendtrans-103.9136-174.7-62.80000111.7R101 L102 L125 M126 W132 N133R101-T129 HydrophobicContact CB-CG2 4.2Å; L102-T129 HydrophobicContact CD2-CG2 4.44Å; L125-T129 VanDerWaalsContact O-CB 3.29Å; L125-T129 WeakPolarHBondContact O-CB 3.49Å; L125-T129 PolarHBondContact O-N 3.23Å; L125-T129 PolarHBondContact O-OG1 3.32Å; M126-T129 PolarHBondContact O-N 2.96Å; T129-W132 HydrophobicContact CG2-CE3 4.12Å; T129-W132 HydrophobicContact CG2-CZ3 3.96Å; T129-W132 WeakPolarHBondContact O-CB 3.47Å; T129-W132 PolarHBondContact O-N 3.42Å; T129-N133 PolarHBondContact O-N 3.2Å; T129-N133 VanDerWaalsContact O-N 3.11Å
130G91.8Very high96.1Very high15 Ų1516.1 Ų16.116%0.15510%0.098CC..THydrogen-bonded Turntrans-60.3138172.800000112.2R101 N133R101-G130 WeakPolarHBondContact CD-O 3.49Å; R101-G130 PolarHBondContact NH1-O 3.35Å; G130-N133 WeakPolarHBondContact CA-OD1 3.27Å
131P91.6Very high96.1Very high47 Ų4716.2 Ų16.231%0.30510%0.098SC..THydrogen-bonded Turncis-94.825.139.9-31.2000112.2R101 N133 R134R101-P131 VanDerWaalsContact CZ-CD 3.46Å; P131-N133 VanDerWaalsContact C-N 3.3Å; P131-N133 PolarHBondContact O-N 2.91Å; P131-R134 PolarHBondContact O-N 2.74Å
132W95.4Very high96.1Very high16 Ų1616.2 Ų16.26%0.06110%0.1CC..G310 helixtrans-65.7-35.9-172.5-58.2-60.4000111.4F89 A92 R101 L102 M126 T129 R134 L135 M160F89-W132 AromaticContact CD2-CD1 3.54Å; F89-W132 HydrophobicContact CD2-CD2 4.45Å; F89-W132 HydrophobicContact CD2-CG 4.01Å; F89-W132 AromaticContact CD2-NE1 3.65Å; F89-W132 HydrophobicContact CE2-CG 4.35Å; A92-W132 HydrophobicContact CB-CH2 3.79Å; A92-W132 HydrophobicContact CB-CZ2 3.63Å; R101-W132 HydrophobicContact CB-CH2 3.92Å; R101-W132 HydrophobicContact CB-CZ3 3.92Å; L102-W132 HydrophobicContact CD1-CH2 4.16Å; L102-W132 HydrophobicContact CD1-CZ3 4.37Å; L102-W132 HydrophobicContact CD2-CH2 4.27Å; L102-W132 HydrophobicContact CD2-CZ3 3.7Å; L102-W132 HydrophobicContact CG-CH2 4.08Å; L102-W132 HydrophobicContact CG-CZ3 4.01Å; M126-W132 HydrophobicContact CB-CD2 4.45Å; M126-W132 HydrophobicContact CB-CE3 4.01Å; M126-W132 HydrophobicContact CB-CZ3 4.3Å; M126-W132 HydrophobicContact CE-CD2 4.41Å; M126-W132 HydrophobicContact CE-CH2 4.19Å; M126-W132 HydrophobicContact CE-CZ2 3.93Å; M126-W132 HydrophobicContact CG-CE3 4.25Å; M126-W132 HydrophobicContact CG-CH2 4.37Å; M126-W132 HydrophobicContact CG-CZ3 4.03Å; M126-W132 VanDerWaalsContact O-CB 3.31Å; M126-W132 WeakPolarHBondContact O-CB 3.37Å; T129-W132 HydrophobicContact CG2-CE3 4.12Å; T129-W132 HydrophobicContact CG2-CZ3 3.96Å; T129-W132 WeakPolarHBondContact O-CB 3.47Å; T129-W132 PolarHBondContact O-N 3.42Å; W132-R134 PolarHBondContact O-N 3.47Å; W132-L135 WeakPolarHBondContact O-CB 3.4Å; W132-L135 PolarHBondContact O-N 3.15Å; W132-M160 WeakPolarHBondContact O-CE 3.34Å
133N94.4Very high96Very high29 Ų2920.1 Ų20.116%0.15512%0.117CC..G310 helixtrans-62.20.9174.971.4-12.3000115.9L127 C128 T129 G130 P131 P157 H159L127-N133 WeakPolarHBondContact O-CA 3.31Å; L127-N133 VanDerWaalsContact O-CB 3.22Å; L127-N133 WeakPolarHBondContact O-CB 3.48Å; C128-N133 PolarHBondContact O-ND2 3Å; T129-N133 PolarHBondContact O-N 3.2Å; T129-N133 VanDerWaalsContact O-N 3.11Å; G130-N133 WeakPolarHBondContact CA-OD1 3.27Å; P131-N133 VanDerWaalsContact C-N 3.3Å; P131-N133 PolarHBondContact O-N 2.91Å; N133-P157 HydrophobicContact CB-CG 4.36Å; N133-H159 PolarHBondContact O-CE1 3.32Å; N133-H159 PolarHBondContact O-NE2 3.08Å
134R92.9Very high95.8Very high22 Ų2226.3 Ų26.38%0.08315%0.146CC..G310 helixtrans-112.8-1.9173.4-53.9-68.2-78.9-161-7.8112.5P131 W132 D224 Y234 I236P131-R134 PolarHBondContact O-N 2.74Å; W132-R134 PolarHBondContact O-N 3.47Å; R134-D224 IonicContact CZ-OD2 3.74Å; R134-D224 IonicContact NH1-OD1 2.76Å; R134-D224 IonicContact NH1-OD2 4Å; R134-D224 IonicContact NH2-OD1 2.74Å; R134-D224 IonicContact NH2-OD2 2.8Å; R134-D224 PolarHBondContact NH2-OD2 2.79Å; R134-Y234 HydrophobicContact CG-CD1 3.58Å; R134-Y234 HydrophobicContact CG-CE1 3.94Å; R134-Y234 HydrophobicContact CG-CG 4.01Å; R134-I236 HydrophobicContact CB-CB 4.01Å; R134-I236 HydrophobicContact CB-CG2 4.09Å; R134-I236 PolarHBondContact NE-O 3Å; R134-I236 PolarHBondContact NH2-O 2.9Å
135L94.7Very high95.7Very high23 Ų2331.1 Ų31.112%0.1218%0.18CC..SBendtrans-85.7145.1-179.4-60.2179.7000110.5F80 W132 L137 H159 M160 I236F80-L135 HydrophobicContact CD1-CD1 4.29Å; F80-L135 HydrophobicContact CE1-CD1 4.33Å; W132-L135 WeakPolarHBondContact O-CB 3.4Å; W132-L135 PolarHBondContact O-N 3.15Å; L135-L137 HydrophobicContact CB-CD1 4.13Å; L135-L137 HydrophobicContact CB-CD2 4.12Å; L135-L137 HydrophobicContact CB-CG 3.69Å; L135-L137 HydrophobicContact CD1-CD1 4.19Å; L135-L137 HydrophobicContact CD1-CD2 4.41Å; L135-L137 HydrophobicContact CD1-CG 4.41Å; L135-L137 PolarHBondContact O-N 3.05Å; L135-H159 PolarHBondContact O-CD2 2.77Å; L135-H159 PolarHBondContact O-NE2 3.07Å; L135-M160 WeakPolarHBondContact O-CE 3.31Å; L135-I236 HydrophobicContact CD2-CD1 3.69Å
136G94.2Very high95.6Very high29 Ų2932.9 Ų32.930%0.29919%0.186SC..  trans-76.555.5173.200000113.7
137L96.6Very high95.5Very high0 Ų034.5 Ų34.50%020%0.199CC..  trans-82140.1-176.4-59.2178000111.4V77 Y78 F80 F89 L127 L135 M160V77-L137 HydrophobicContact CG1-CB 3.99Å; V77-L137 HydrophobicContact CG1-CD1 3.95Å; V77-L137 HydrophobicContact CG1-CD2 4.46Å; V77-L137 HydrophobicContact CG1-CG 4.34Å; Y78-L137 CarbonylContact O-C 3.44Å; Y78-L137 VanDerWaalsContact O-CA 3.27Å; Y78-L137 WeakPolarHBondContact O-CA 3.31Å; F80-L137 HydrophobicContact CD1-CD2 3.69Å; F80-L137 HydrophobicContact CD2-CD2 4Å; F80-L137 HydrophobicContact CE1-CD1 4.01Å; F80-L137 HydrophobicContact CE1-CD2 3.64Å; F80-L137 HydrophobicContact CE1-CG 4.49Å; F80-L137 HydrophobicContact CE2-CD2 3.96Å; F80-L137 HydrophobicContact CG-CD2 3.86Å; F80-L137 HydrophobicContact CZ-CD1 4.08Å; F80-L137 HydrophobicContact CZ-CD2 3.78Å; F89-L137 HydrophobicContact CD2-CD1 4.45Å; F89-L137 HydrophobicContact CE2-CD1 4.09Å; L127-L137 HydrophobicContact CD2-CD1 4.11Å; L135-L137 HydrophobicContact CB-CD1 4.13Å; L135-L137 HydrophobicContact CB-CD2 4.12Å; L135-L137 HydrophobicContact CB-CG 3.69Å; L135-L137 HydrophobicContact CD1-CD1 4.19Å; L135-L137 HydrophobicContact CD1-CD2 4.41Å; L135-L137 HydrophobicContact CD1-CG 4.41Å; L135-L137 PolarHBondContact O-N 3.05Å; L137-M160 HydrophobicContact CB-CE 4.45Å; L137-M160 HydrophobicContact CB-CG 4.43Å; L137-M160 HydrophobicContact CB-SD 4.28Å; L137-M160 HydrophobicContact CD1-CE 4.43Å; L137-M160 WeakPolarHBondContact O-CA 3.47Å; L137-M160 VanDerWaalsContact O-CB 3.31Å; L137-M160 WeakPolarHBondContact O-CB 3.3Å; L137-M160 WeakPolarHBondContact O-CG 3.46Å
138T96.2Very high95.4Very high24 Ų2439.5 Ų39.515%0.14722%0.218CC..EExtended strand (participates in β ladder)trans-107.4134.9167.9-58.20000109V77 Y78 P161 A163V77-T138 VanDerWaalsContact CA-O 3.31Å; V77-T138 WeakPolarHBondContact CA-O 3.48Å; Y78-T138 HydrophobicContact CE1-CG2 3.62Å; Y78-T138 HydrophobicContact CE2-CG2 4.46Å; Y78-T138 PolarHBondContact N-O 3.01Å; Y78-T138 PolarHBondContact O-N 3.5Å; Y78-T138 WeakPolarHBondContact OH-CG2 3.45Å; T138-P161 HydrophobicContact CG2-CG 4.09Å; T138-A163 HydrophobicContact CG2-CB 4.15Å
139I97.8Very high95.3Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-103.4115.9175.6-57.680.8000106.7L75 V77 L127 L150 P156 M160 P161 I162 A163L75-I139 HydrophobicContact CD1-CG2 3.71Å; L75-I139 HydrophobicContact CD2-CG2 4.34Å; L75-I139 HydrophobicContact CG-CG2 4.11Å; V77-I139 HydrophobicContact CG2-CG1 4.45Å; L127-I139 HydrophobicContact CD1-CD1 3.88Å; L127-I139 HydrophobicContact CD1-CG1 3.71Å; L127-I139 HydrophobicContact CD2-CD1 4.18Å; L127-I139 HydrophobicContact CD2-CG1 4.33Å; I139-L150 HydrophobicContact CG2-CD1 4.42Å; I139-P156 HydrophobicContact CD1-CB 4.38Å; I139-M160 HydrophobicContact CD1-CB 3.86Å; I139-P161 PolarHBondContact N-O 3.28Å; I139-I162 HydrophobicContact CB-CG1 4.4Å; I139-I162 CarbonylContact O-C 3.58Å; I139-I162 VanDerWaalsContact O-CA 3.23Å; I139-I162 WeakPolarHBondContact O-CA 3.21Å; I139-A163 PolarHBondContact O-N 3.37Å
140Q97.4Very high95.2Very high14 Ų1443.5 Ų43.57%0.06524%0.236CC..EExtended strand (participates in β ladder)trans-120.5121.7-176.7-175.7170.34.300111.8L75 I76 Y78 I142 A163 G165 P166 I167L75-Q140 WeakPolarHBondContact CA-O 3.46Å; I76-Q140 HydrophobicContact CG2-CB 4.08Å; I76-Q140 PolarHBondContact N-O 2.83Å; I76-Q140 PolarHBondContact O-N 2.89Å; Y78-Q140 HydrophobicContact CE1-CB 3.8Å; Y78-Q140 PolarHBondContact OH-OE1 3.5Å; Q140-I142 HydrophobicContact CG-CD1 4.04Å; Q140-I142 PolarHBondContact O-N 3.15Å; Q140-A163 WeakPolarHBondContact CA-O 3.45Å; Q140-A163 HydrophobicContact CB-CB 4.16Å; Q140-A163 HydrophobicContact CG-CB 4.01Å; Q140-G165 PolarHBondContact NE2-O 3.47Å; Q140-P166 PolarHBondContact NE2-O 2.66Å; Q140-I167 VanDerWaalsContact OE1-CG1 3.29Å
141W98.1Very high95.3Very high4 Ų444 Ų442%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-79.899.5169.8-72107.4000109.8L75 F116 L120 K143 Y146 A147 R148 L150 A163 F164 G165L75-W141 HydrophobicContact CB-CD2 4.37Å; L75-W141 HydrophobicContact CB-CE3 3.83Å; L75-W141 HydrophobicContact CB-CZ3 3.93Å; L75-W141 HydrophobicContact CD1-CD2 3.82Å; L75-W141 HydrophobicContact CD1-CE3 3.95Å; L75-W141 HydrophobicContact CD1-CH2 3.72Å; L75-W141 HydrophobicContact CD1-CZ2 3.58Å; L75-W141 HydrophobicContact CD1-CZ3 3.91Å; L75-W141 HydrophobicContact CG-CE3 4.43Å; F116-W141 HydrophobicContact CZ-CH2 4.12Å; F116-W141 AromaticContact CZ-CZ3 3.93Å; F116-W141 HydrophobicContact CZ-CZ3 3.93Å; L120-W141 HydrophobicContact CD1-CH2 3.88Å; L120-W141 HydrophobicContact CD2-CH2 3.85Å; L120-W141 HydrophobicContact CD2-CZ2 4.44Å; W141-K143 VanDerWaalsContact C-N 3.3Å; W141-Y146 WeakPolarHBondContact CZ3-O 3.31Å; W141-A147 HydrophobicContact CB-CB 4.08Å; W141-A147 HydrophobicContact CD2-CB 3.66Å; W141-A147 HydrophobicContact CE3-CB 4.07Å; W141-A147 HydrophobicContact CG-CB 3.65Å; W141-R148 HydrophobicContact CH2-CG 4.36Å; W141-R148 HydrophobicContact CZ2-CG 4.5Å; W141-R148 WeakPolarHBondContact CZ2-O 3.41Å; W141-L150 HydrophobicContact CH2-CD2 4.49Å; W141-L150 HydrophobicContact CZ2-CD2 3.72Å; W141-A163 PolarHBondContact N-O 3.35Å; W141-F164 HydrophobicContact CB-CD1 3.73Å; W141-F164 HydrophobicContact CB-CE1 4.1Å; W141-F164 AromaticContact CD1-CE1 3.61Å; W141-F164 HydrophobicContact CG-CD1 4.22Å; W141-F164 HydrophobicContact CG-CE1 4.08Å; W141-F164 WeakPolarHBondContact O-CA 3.4Å; W141-G165 PolarHBondContact O-N 3.14Å
142I96.9Very high95.2Very high32 Ų3248.7 Ų48.716%0.16425%0.254CS..SBendtrans-66.5-37.6177.3-55.3-60000110.8M73 V74 I76 Q140 G165 I167M73-I142 HydrophobicContact CG-CG1 4.37Å; M73-I142 HydrophobicContact SD-CG1 4.47Å; V74-I142 PolarHBondContact O-N 3.15Å; I76-I142 HydrophobicContact CG2-CD1 3.7Å; I76-I142 HydrophobicContact CG2-CG1 3.87Å; Q140-I142 HydrophobicContact CG-CD1 4.04Å; Q140-I142 PolarHBondContact O-N 3.15Å; I142-G165 WeakPolarHBondContact CA-O 3.41Å; I142-I167 HydrophobicContact CD1-CD1 4.02Å; I142-I167 HydrophobicContact CD1-CG1 3.7Å
143K95.7Very high95Very high83 Ų8354.7 Ų54.736%0.36129%0.288SS..SBendtrans-118.4102.3179.1-65.6-73.8174.5144.60109.7E72 V74 W141 S145 Y146E72-K143 HydrophobicContact CG-CD 4.41Å; E72-K143 HydrophobicContact CG-CG 3.93Å; E72-K143 VanDerWaalsContact OE1-CD 3.28Å; E72-K143 WeakPolarHBondContact OE1-CD 3.47Å; E72-K143 WeakPolarHBondContact OE1-CE 3.49Å; E72-K143 IonicContact OE1-NZ 3.68Å; E72-K143 PolarHBondContact OE1-NZ 3.28Å; V74-K143 HydrophobicContact CG1-CB 4.43Å; V74-K143 PolarHBondContact O-N 3.4Å; W141-K143 VanDerWaalsContact C-N 3.3Å; K143-S145 PolarHBondContact O-N 2.93Å; K143-Y146 HydrophobicContact CB-CD2 3.68Å; K143-Y146 HydrophobicContact CB-CE2 4.24Å; K143-Y146 PolarHBondContact O-N 3.48Å
144Q94.8Very high95Very high129 Ų12956.1 Ų56.160%0.60330%0.295SS*.G310 helixtrans-61.8-28.4-174.7-60.7179.226.800112.9Y146 A147 F164Q144-Y146 PolarHBondContact O-N 3.09Å; Q144-Y146 VanDerWaalsContact O-N 3.11Å; Q144-A147 VanDerWaalsContact O-CB 3.24Å; Q144-A147 WeakPolarHBondContact O-CB 3.31Å; Q144-A147 PolarHBondContact O-N 2.8Å; Q144-F164 HydrophobicContact CG-CB 4.26Å; Q144-F164 HydrophobicContact CG-CD1 4.26Å
145S95.7Very high95Very high102 Ų10260.5 Ų60.571%0.71332%0.324SS*.G310 helixtrans-59.5-21174.454.50000114K143K143-S145 PolarHBondContact O-N 2.93Å
146Y95.9Very high95Very high53 Ų5360.2 Ų60.221%0.20832%0.324CS..G310 helixtrans-97.1-11.4175-65.8-83.4000113.3L28 L30 E72 V74 W141 K143 Q144 R148L28-Y146 HydrophobicContact CD1-CD1 3.52Å; L28-Y146 HydrophobicContact CD1-CE1 3.43Å; L28-Y146 VanDerWaalsContact CD1-CE1 3.43Å; L28-Y146 HydrophobicContact CD1-CG 4.32Å; L30-Y146 WeakPolarHBondContact CD2-OH 3.39Å; E72-Y146 WeakPolarHBondContact OE2-CE2 3.41Å; V74-Y146 HydrophobicContact CB-CD2 4.05Å; V74-Y146 HydrophobicContact CB-CG 4.09Å; V74-Y146 HydrophobicContact CG1-CD1 4.3Å; V74-Y146 HydrophobicContact CG1-CD2 3.45Å; V74-Y146 VanDerWaalsContact CG1-CD2 3.45Å; V74-Y146 HydrophobicContact CG1-CE2 3.71Å; V74-Y146 HydrophobicContact CG1-CG 3.76Å; W141-Y146 WeakPolarHBondContact CZ3-O 3.31Å; K143-Y146 HydrophobicContact CB-CD2 3.68Å; K143-Y146 HydrophobicContact CB-CE2 4.24Å; K143-Y146 PolarHBondContact O-N 3.48Å; Q144-Y146 PolarHBondContact O-N 3.09Å; Q144-Y146 VanDerWaalsContact O-N 3.11Å; Y146-R148 PolarHBondContact O-NE 2.98Å; Y146-R148 PolarHBondContact O-NH2 2.83Å
147A96.4Very high95Very high35 Ų3560.3 Ų60.329%0.28932%0.319SS..  trans-63.2135.7-17400000111.6W141 Q144 F164W141-A147 HydrophobicContact CB-CB 4.08Å; W141-A147 HydrophobicContact CD2-CB 3.66Å; W141-A147 HydrophobicContact CE3-CB 4.07Å; W141-A147 HydrophobicContact CG-CB 3.65Å; Q144-A147 VanDerWaalsContact O-CB 3.24Å; Q144-A147 WeakPolarHBondContact O-CB 3.31Å; Q144-A147 PolarHBondContact O-N 2.8Å; A147-F164 HydrophobicContact CB-CD1 4.37Å; A147-F164 HydrophobicContact CB-CE1 3.86Å
148R95.2Very high94.8Very high104 Ų10469 Ų6939%0.39237%0.365SS..  trans-162.1169.7-179.666.3-162.677.8-172.1-8.1109.2D117 L120 W141 Y146 L150D117-R148 IonicContact OD1-CZ 2.64Å; D117-R148 IonicContact OD1-NE 3.81Å; D117-R148 IonicContact OD1-NH1 3.9Å; D117-R148 PolarHBondContact OD1-NH1 3.32Å; L120-R148 HydrophobicContact CD1-CG 3.78Å; W141-R148 HydrophobicContact CH2-CG 4.36Å; W141-R148 HydrophobicContact CZ2-CG 4.5Å; W141-R148 WeakPolarHBondContact CZ2-O 3.41Å; Y146-R148 PolarHBondContact O-NE 2.98Å; Y146-R148 PolarHBondContact O-NH2 2.83Å; R148-L150 PolarHBondContact O-N 3.43Å
149N94.2Very high94.6Very high144 Ų14469 Ų6977%0.7736%0.363SS*.  trans-59.4133170.4-67.6-26.8000110.2S151N149-S151 VanDerWaalsContact C-N 3.28Å; N149-S151 PolarHBondContact O-N 3.24Å
150L94.1Very high94.6Very high9 Ų969.2 Ų69.25%0.04736%0.364CS..SBendtrans-67.6-33-179-58.2-179.4000111.9L75 L120 R121 L123 A124 L127 I139 W141 R148 P156L75-L150 HydrophobicContact CD1-CD2 3.99Å; L120-L150 CarbonylContact C-O 3.21Å; L120-L150 VanDerWaalsContact C-O 3.23Å; L120-L150 HydrophobicContact CB-CD2 4.46Å; L120-L150 HydrophobicContact CD2-CD2 4Å; R121-L150 WeakPolarHBondContact CA-O 3.16Å; R121-L150 WeakPolarHBondContact CG-O 3.49Å; R121-L150 PolarHBondContact N-O 2.92Å; L123-L150 HydrophobicContact CD2-CD1 4.3Å; L123-L150 HydrophobicContact CD2-CD2 4.28Å; L123-L150 HydrophobicContact CG-CD1 4.43Å; A124-L150 HydrophobicContact CB-CB 3.87Å; L127-L150 HydrophobicContact CD1-CD1 3.86Å; I139-L150 HydrophobicContact CG2-CD1 4.42Å; W141-L150 HydrophobicContact CH2-CD2 4.49Å; W141-L150 HydrophobicContact CZ2-CD2 3.72Å; R148-L150 PolarHBondContact O-N 3.43Å; L150-P156 HydrophobicContact CD1-CG 3.86Å
151S92.9Very high94.4Very high24 Ų2471.7 Ų71.717%0.16838%0.381CS..  trans-155.1156.9175.7179.70000109N149 N153 L154N149-S151 VanDerWaalsContact C-N 3.28Å; N149-S151 PolarHBondContact O-N 3.24Å; S151-N153 PolarHBondContact OG-N 3.19Å; S151-L154 PolarHBondContact OG-N 2.83Å
152E90.1Very high94.4Very high146 Ų14675.1 Ų75.168%0.68240%0.399SS*.SBendtrans-73.8-33.6174-72.9157.8-161.900111.9K110K110-E152 IonicContact NZ-OE1 2.69Å; K110-E152 PolarHBondContact NZ-OE1 3.15Å; K110-E152 IonicContact NZ-OE2 2.7Å; K110-E152 PolarHBondContact NZ-OE2 3.12Å
153N91.2Very high94.3Very high143 Ų14375 Ų7577%0.76540%0.402SS*.SBendtrans-112.7-9.5-170.7-59.4-28.2000113.6S151S151-N153 PolarHBondContact OG-N 3.19Å
154L94.2Very high94.4Very high59 Ų5976.5 Ų76.531%0.30941%0.409SS..  trans-123.3116.8-177.8-64.1175.8000109.3A124 L125 S151A124-L154 HydrophobicContact CB-CB 3.92Å; L125-L154 HydrophobicContact CB-CD1 4.09Å; L125-L154 HydrophobicContact CD1-CD1 4.27Å; S151-L154 PolarHBondContact OG-N 2.83Å
155V93.4Very high94.4Very high113 Ų11370.8 Ų70.869%0.68539%0.385SS*.  trans-107.4137.3175.1-176.30000107.8C128C128-V155 PolarHBondContact SG-O 2.96Å; C128-V155 VanDerWaalsContact SG-O 3.35Å
156P93.7Very high94.1Very high18 Ų1870.2 Ų70.212%0.11738%0.379CS..  trans-52.3145.6173.6-28.537.4000112.2L127 I139 L150 M160 I162L127-P156 HydrophobicContact CD1-CB 4.24Å; L127-P156 HydrophobicContact CD1-CG 3.92Å; I139-P156 HydrophobicContact CD1-CB 4.38Å; L150-P156 HydrophobicContact CD1-CG 3.86Å; P156-M160 HydrophobicContact CB-CB 4.33Å; P156-I162 HydrophobicContact CG-CD1 4.14Å; P156-I162 HydrophobicContact CG-CG1 4.46Å
157P94.7Very high93.7Very high31 Ų3168.5 Ų68.520%0.20137%0.373CS..  trans-52.7148.7172.5-26.834.5000112.6L127 N133 H159 M160L127-P157 WeakPolarHBondContact O-CD 2.91Å; L127-P157 WeakPolarHBondContact O-CG 3.32Å; N133-P157 HydrophobicContact CB-CG 4.36Å; P157-H159 WeakPolarHBondContact CB-CE1 3.33Å; P157-H159 PolarHBondContact O-N 2.84Å; P157-M160 HydrophobicContact CB-CG 4.43Å; P157-M160 HydrophobicContact CG-CE 4.36Å; P157-M160 HydrophobicContact CG-SD 4.13Å; P157-M160 WeakPolarHBondContact O-CA 3.5Å; P157-M160 WeakPolarHBondContact O-CB 3.21Å; P157-M160 PolarHBondContact O-N 3.07Å
158L91.8Very high92.9Very high182 Ų18273 Ų7395%0.95339%0.388SS*.THydrogen-bonded Turntrans-54.5-33.7-175.6-175.266.8000114M160L158-M160 PolarHBondContact O-N 2.8Å
159H93Very high91.6Very high24 Ų2468.5 Ų68.511%0.11137%0.372CS..THydrogen-bonded Turntrans-77.9-0.6178.867.2-88.2000114.1N133 L135 P157 P161 L238 L251 P253N133-H159 PolarHBondContact O-CE1 3.32Å; N133-H159 PolarHBondContact O-NE2 3.08Å; L135-H159 PolarHBondContact O-CD2 2.77Å; L135-H159 PolarHBondContact O-NE2 3.07Å; P157-H159 WeakPolarHBondContact CB-CE1 3.33Å; P157-H159 PolarHBondContact O-N 2.84Å; H159-P161 VanDerWaalsContact O-CD 3.31Å; H159-P161 WeakPolarHBondContact O-CD 3.26Å; H159-L238 HydrophobicContact CB-CD1 4.46Å; H159-L238 VanDerWaalsContact CE1-CD1 3.47Å; H159-L238 WeakPolarHBondContact CE1-CD1 3.48Å; H159-L238 WeakPolarHBondContact ND1-CD1 3.44Å; H159-L251 HydrophobicContact CB-CD1 3.78Å; H159-L251 HydrophobicContact CB-CD2 3.82Å; H159-L251 HydrophobicContact CB-CG 4.29Å; H159-P253 HydrophobicContact CB-CG 4.32Å
160M96.3Very high89.9Confident5 Ų565.4 Ų65.43%0.02536%0.356CS..SBendtrans-110.388.1177.3-65.3-173.2-177.500110.5L127 W132 L135 L137 I139 P156 P157 L158L127-M160 HydrophobicContact CB-SD 4.06Å; L127-M160 HydrophobicContact CD2-SD 3.7Å; L127-M160 HydrophobicContact CG-SD 4.4Å; W132-M160 WeakPolarHBondContact O-CE 3.34Å; L135-M160 WeakPolarHBondContact O-CE 3.31Å; L137-M160 HydrophobicContact CB-CE 4.45Å; L137-M160 HydrophobicContact CB-CG 4.43Å; L137-M160 HydrophobicContact CB-SD 4.28Å; L137-M160 HydrophobicContact CD1-CE 4.43Å; L137-M160 WeakPolarHBondContact O-CA 3.47Å; L137-M160 VanDerWaalsContact O-CB 3.31Å; L137-M160 WeakPolarHBondContact O-CB 3.3Å; L137-M160 WeakPolarHBondContact O-CG 3.46Å; I139-M160 HydrophobicContact CD1-CB 3.86Å; P156-M160 HydrophobicContact CB-CB 4.33Å; P157-M160 HydrophobicContact CB-CG 4.43Å; P157-M160 HydrophobicContact CG-CE 4.36Å; P157-M160 HydrophobicContact CG-SD 4.13Å; P157-M160 WeakPolarHBondContact O-CA 3.5Å; P157-M160 WeakPolarHBondContact O-CB 3.21Å; P157-M160 PolarHBondContact O-N 3.07Å; L158-M160 PolarHBondContact O-N 2.8Å
161P95Very high87.8Confident66 Ų6669.1 Ų69.143%0.42938%0.382SS..  trans-66.7147.5-175.526-33.2000112.2T138 I139 H159T138-P161 HydrophobicContact CG2-CG 4.09Å; I139-P161 PolarHBondContact N-O 3.28Å; H159-P161 VanDerWaalsContact O-CD 3.31Å; H159-P161 WeakPolarHBondContact O-CD 3.26Å
162I96.5Very high85.8Confident75 Ų7571.1 Ų71.139%0.38539%0.39SS..EExtended strand (participates in β ladder)trans-98116.6166.9-57.8178.1000108.3I139 P156 F164I139-I162 HydrophobicContact CB-CG1 4.4Å; I139-I162 CarbonylContact O-C 3.58Å; I139-I162 VanDerWaalsContact O-CA 3.23Å; I139-I162 WeakPolarHBondContact O-CA 3.21Å; P156-I162 HydrophobicContact CG-CD1 4.14Å; P156-I162 HydrophobicContact CG-CG1 4.46Å; I162-F164 HydrophobicContact CG2-CE2 4.14Å; I162-F164 HydrophobicContact CG2-CZ 4Å
163A96Very high83.5Confident29 Ų2972 Ų7224%0.2440%0.395CS..EExtended strand (participates in β ladder)trans-110165.3179.300000111.7T138 I139 Q140 W141T138-A163 HydrophobicContact CG2-CB 4.15Å; I139-A163 PolarHBondContact O-N 3.37Å; Q140-A163 WeakPolarHBondContact CA-O 3.45Å; Q140-A163 HydrophobicContact CB-CB 4.16Å; Q140-A163 HydrophobicContact CG-CB 4.01Å; W141-A163 PolarHBondContact N-O 3.35Å
164F96.5Very high81.2Confident115 Ų11570.1 Ų70.150%0.50438%0.384SS..EExtended strand (participates in β ladder)trans-135.8148.6-177.5-61.5-89.6000111.1W141 Q144 A147 I162W141-F164 HydrophobicContact CB-CD1 3.73Å; W141-F164 HydrophobicContact CB-CE1 4.1Å; W141-F164 AromaticContact CD1-CE1 3.61Å; W141-F164 HydrophobicContact CG-CD1 4.22Å; W141-F164 HydrophobicContact CG-CE1 4.08Å; W141-F164 WeakPolarHBondContact O-CA 3.4Å; Q144-F164 HydrophobicContact CG-CB 4.26Å; Q144-F164 HydrophobicContact CG-CD1 4.26Å; A147-F164 HydrophobicContact CB-CD1 4.37Å; A147-F164 HydrophobicContact CB-CE1 3.86Å; I162-F164 HydrophobicContact CG2-CE2 4.14Å; I162-F164 HydrophobicContact CG2-CZ 4Å
165G94.6Very high78.9Confident9 Ų970.6 Ų70.69%0.09339%0.391CS..SBendtrans98.4179.1178.500000113.6Q140 W141 I142Q140-G165 PolarHBondContact NE2-O 3.47Å; W141-G165 PolarHBondContact O-N 3.14Å; I142-G165 WeakPolarHBondContact CA-O 3.41Å
166P90.7Very high76.6Confident90 Ų9069 Ų6958%0.58440%0.398SS*.PPolyproline II helixtrans-63.4156-178.528.6-35000112Q140 E168Q140-P166 PolarHBondContact NE2-O 2.66Å; P166-E168 PolarHBondContact O-N 2.85Å
167I87.1Confident74.5Confident18 Ų1870.7 Ų70.79%0.09241%0.408CS..PPolyproline II helixtrans-78.1121.3169-68.3166000109F17 F21 P46 I76 Q140 I142F17-I167 HydrophobicContact CE1-CG2 3.54Å; F17-I167 HydrophobicContact CZ-CG2 3.45Å; F17-I167 VanDerWaalsContact CZ-CG2 3.45Å; F21-I167 HydrophobicContact CE2-CD1 4.35Å; F21-I167 HydrophobicContact CE2-CG2 4.44Å; F21-I167 HydrophobicContact CZ-CD1 3.9Å; P46-I167 HydrophobicContact CB-CD1 4.3Å; P46-I167 HydrophobicContact CG-CD1 3.74Å; I76-I167 HydrophobicContact CB-CD1 4.45Å; I76-I167 HydrophobicContact CD1-CD1 3.72Å; I76-I167 HydrophobicContact CG1-CD1 4.42Å; I76-I167 HydrophobicContact CG2-CD1 3.44Å; I76-I167 VanDerWaalsContact CG2-CD1 3.44Å; I76-I167 HydrophobicContact CG2-CG1 4.24Å; Q140-I167 VanDerWaalsContact OE1-CG1 3.29Å; I142-I167 HydrophobicContact CD1-CD1 4.02Å; I142-I167 HydrophobicContact CD1-CG1 3.7Å
168E80.4Confident72.2Confident129 Ų12976.8 Ų76.860%0.60344%0.439SS*.PPolyproline II helixtrans-88126.7168.5-66177.1-17600109.3P166 N170P166-E168 PolarHBondContact O-N 2.85Å; E168-N170 PolarHBondContact O-N 3.44Å
169P67.7Low70.3Confident9 Ų973.1 Ų73.16%0.05842%0.419CS..THydrogen-bonded Turntrans-65.9-22.5177.125.5-31.2000112.4E15 F17 C171E15-P169 HydrophobicContact CB-CB 4.27Å; E15-P169 HydrophobicContact CB-CG 3.53Å; E15-P169 VanDerWaalsContact O-CB 3.3Å; E15-P169 WeakPolarHBondContact O-CB 3.22Å; E15-P169 WeakPolarHBondContact O-CG 3.42Å; E15-P169 VanDerWaalsContact OE2-CG 3.31Å; E15-P169 WeakPolarHBondContact OE2-CG 3.32Å; F17-P169 HydrophobicContact CD1-CB 4.2Å; F17-P169 HydrophobicContact CE1-CB 4.29Å; F17-P169 HydrophobicContact CG-CB 4.44Å; P169-C171 PolarHBondContact O-N 3.11Å
170N57.7Low68.6Low79 Ų7975 Ų7542%0.42244%0.438SS..THydrogen-bonded Turntrans-94.825.2-168.9-69.3-26.4000115.5E15 E168 L172E15-N170 VanDerWaalsContact CD-ND2 3.34Å; E15-N170 PolarHBondContact OE1-ND2 2.8Å; E15-N170 PolarHBondContact OE2-ND2 2.92Å; E168-N170 PolarHBondContact O-N 3.44Å; N170-L172 PolarHBondContact O-N 3.21Å; N170-L172 VanDerWaalsContact O-N 3.09Å
171C50.1Low67.4Low87 Ų8780.4 Ų80.459%0.58848%0.477SS*.  trans-72.88.6168.3-74.60000114.2P169 M261P169-C171 PolarHBondContact O-N 3.11Å; C171-M261 WeakPolarHBondContact O-CE 3.33Å
172L51.1Low66.7Low66 Ų6681.1 Ų81.135%0.34647%0.473SS..  trans-106.365.7173.9-59.6174.8000108.4K18 N170 N174 M261K18-L172 WeakPolarHBondContact O-CD1 3.46Å; N170-L172 PolarHBondContact O-N 3.21Å; N170-L172 VanDerWaalsContact O-N 3.09Å; L172-N174 PolarHBondContact O-N 3.42Å; L172-M261 HydrophobicContact CD2-CE 3.7Å; L172-M261 HydrophobicContact CD2-CG 4.05Å
173E42.6Very low66.2Low166 Ų16679.3 Ų79.378%0.77647%0.473SS*.  trans-59.7132.1164.2-69.5-173.8166.200108P175E173-P175 WeakPolarHBondContact O-CD 3.31Å
174N42.8Very low66.1Low102 Ų10282.9 Ų82.955%0.54549%0.487SS..  trans-74.9104.4170.9-72.3-35.4000107.3L172 G176L172-N174 PolarHBondContact O-N 3.42Å; N174-G176 PolarHBondContact O-N 2.87Å; N174-G176 VanDerWaalsContact O-N 3.08Å
175P45Very low66Low69 Ų6977.4 Ų77.445%0.44846%0.463SS..  trans-60.9118.7154.325.9-30000105.5E173 T177E173-P175 WeakPolarHBondContact O-CD 3.31Å; P175-T177 VanDerWaalsContact C-N 3.26Å; P175-T177 PolarHBondContact O-N 3.38Å
176G45.1Very low66Low81 Ų8179.5 Ų79.584%0.83547%0.471SS*.  trans-56.395.8169.800000108.2N174 N178N174-G176 PolarHBondContact O-N 2.87Å; N174-G176 VanDerWaalsContact O-N 3.08Å; G176-N178 PolarHBondContact O-N 3.16Å
177T49Very low66.3Low53 Ų5378 Ų7833%0.32546%0.458SS..  trans-88.4102.3175.945.10000107.1P175 I179P175-T177 VanDerWaalsContact C-N 3.26Å; P175-T177 PolarHBondContact O-N 3.38Å; T177-I179 PolarHBondContact O-N 3.41Å
178N48.4Very low66.7Low159 Ų15979.3 Ų79.385%0.8547%0.468SS*.  trans-52.6121.3152.3-87.1-28.9000106.8G176 A180G176-N178 PolarHBondContact O-N 3.16Å; N178-A180 PolarHBondContact O-N 2.93Å
179I51.5Low67.4Low104 Ų10479.4 Ų79.453%0.53347%0.468SS..  trans-68.681.1172.1-57.4169.4000106.2T177T177-I179 PolarHBondContact O-N 3.41Å
180A57.7Low68.6Low63 Ų6383.8 Ų83.852%0.52149%0.49SS..  trans-67.8140.916300000107.4N178 F182N178-A180 PolarHBondContact O-N 2.93Å; A180-F182 PolarHBondContact O-N 3.48Å
181S69.2Low70.1Confident119 Ų11984 Ų8483%0.83250%0.495SS*.  trans-53.4114167.558.30000108.5
182F80.8Confident72Confident82 Ų8280.7 Ų80.736%0.3647%0.471SS..  trans-66.4152.4174.3-57.5-65.5000109.7A180 F192 V198 P199A180-F182 PolarHBondContact O-N 3.48Å; F182-F192 HydrophobicContact CB-CB 3.99Å; F182-F192 HydrophobicContact CB-CD2 3.41Å; F182-F192 VanDerWaalsContact CB-CD2 3.41Å; F182-F192 HydrophobicContact CB-CE2 4.23Å; F182-F192 HydrophobicContact CB-CG 3.93Å; F182-V198 HydrophobicContact CZ-CG1 4.49Å; F182-P199 HydrophobicContact CB-CG 4.13Å; F182-P199 VanDerWaalsContact CD1-CD 3.46Å; F182-P199 HydrophobicContact CD1-CG 3.34Å; F182-P199 HydrophobicContact CD2-CG 4.26Å; F182-P199 HydrophobicContact CE1-CG 3.71Å; F182-P199 VanDerWaalsContact CG-CD 3.44Å; F182-P199 HydrophobicContact CG-CG 3.65Å; F182-P199 HydrophobicContact CZ-CG 4.31Å
183G86.8Confident73.3Confident37 Ų3780.6 Ų80.638%0.38148%0.476SS..  trans-77.9-143.2-177.500000113.4F192 Q210G183-F192 WeakPolarHBondContact O-CD2 3.34Å; G183-F192 WeakPolarHBondContact O-CE2 3.29Å; G183-Q210 VanDerWaalsContact N-OE1 3.1Å
184L92.4Very high74.5Confident103 Ų10379.7 Ų79.754%0.53948%0.481SS..BIsolated β-bridgetrans-94.9148.7171.2-58.5178.3000110.1Q186 P191L184-Q186 PolarHBondContact O-N 3.36Å; L184-P191 HydrophobicContact CD2-CB 3.89Å; L184-P191 HydrophobicContact CD2-CG 4.47Å
185C94.8Very high75.4Confident0 Ų081.9 Ų81.90%049%0.493CS..  trans-63.7127.1166.8173.70000109.9I187 H189 I190 F192 Q210 H212C185-I187 PolarHBondContact O-N 3.2Å; C185-H189 WeakPolarHBondContact O-CA 3.32Å; C185-H189 PolarHBondContact O-N 3.01Å; C185-I190 PolarHBondContact N-O 3.17Å; C185-F192 HydrophobicContact CB-CE1 4.14Å; C185-F192 HydrophobicContact CB-CZ 3.88Å; C185-Q210 WeakPolarHBondContact CA-O 3.38Å; C185-H212 VanDerWaalsContact CB-CE1 3.44Å; C185-H212 WeakPolarHBondContact CB-CE1 3.42Å; C185-H212 WeakPolarHBondContact CB-ND1 3.35Å; C185-H212 PolarHBondContact SG-N 3.05Å; C185-H212 VanDerWaalsContact SG-N 3.42Å
186Q95.8Very high76.2Confident53 Ų5383.4 Ų83.425%0.24851%0.506CS..THydrogen-bonded Turntrans-66.1-21.8-177.5178.4-81-35.900113.9L184 H189 L208 Q210 A244L184-Q186 PolarHBondContact O-N 3.36Å; Q186-H189 PolarHBondContact O-CE1 2.86Å; Q186-L208 WeakPolarHBondContact CB-O 3.19Å; Q186-L208 HydrophobicContact CG-CB 4.36Å; Q186-L208 WeakPolarHBondContact CG-O 3.33Å; Q186-Q210 PolarHBondContact N-O 3.03Å; Q186-A244 HydrophobicContact CG-CB 4.13Å
187I95.7Very high77.5Confident60 Ų6080.8 Ų80.831%0.30847%0.474SS..THydrogen-bonded Turntrans-88.2-49.1-178.5-70.8164.8000112.2C185 W211 C215 L216 Y219C185-I187 PolarHBondContact O-N 3.2Å; I187-W211 HydrophobicContact CD1-CG 4.25Å; I187-C215 HydrophobicContact CB-CB 3.99Å; I187-C215 HydrophobicContact CD1-CB 4.1Å; I187-C215 WeakPolarHBondContact CD1-O 3.47Å; I187-C215 HydrophobicContact CG2-CB 3.94Å; I187-L216 HydrophobicContact CD1-CD1 4.29Å; I187-Y219 HydrophobicContact CD1-CG 4.41Å
188C95.6Very high79.3Confident45 Ų4578.9 Ų78.930%0.30446%0.462SS..THydrogen-bonded Turntrans-103.3-7.3-176.768.20000114.2I190 H212C188-I190 HydrophobicContact CB-CD1 4.48Å; C188-I190 HydrophobicContact CB-CG1 4.46Å; C188-I190 PolarHBondContact O-N 3.44Å; C188-H212 VanDerWaalsContact SG-CE1 3.56Å; C188-H212 PolarHBondContact SG-ND1 2.93Å
189H94.8Very high81.4Confident130 Ų13071.3 Ų71.360%0.60242%0.422SS*.  trans6010.9-178.1-51.7-66.1000115.7C185 Q186C185-H189 WeakPolarHBondContact O-CA 3.32Å; C185-H189 PolarHBondContact O-N 3.01Å; Q186-H189 PolarHBondContact O-CE1 2.86Å
190I92.8Very high83.5Confident102 Ų10266.5 Ų66.552%0.52340%0.398SS..PPolyproline II helixtrans-84.4140.3174.3-60.1173.4000109.1C185 C188 H212C185-I190 PolarHBondContact N-O 3.17Å; C188-I190 HydrophobicContact CB-CD1 4.48Å; C188-I190 HydrophobicContact CB-CG1 4.46Å; C188-I190 PolarHBondContact O-N 3.44Å; I190-H212 PolarHBondContact O-CE1 2.98Å
191P90.2Very high85.3Confident82 Ų8265.1 Ų65.153%0.53238%0.383SS..BIsolated β-bridgetrans-64.9152.9175.127.2-35.8000112.3L184L184-P191 HydrophobicContact CD2-CB 3.89Å; L184-P191 HydrophobicContact CD2-CG 4.47Å
192F89.1Confident86.6Confident18 Ų1859.7 Ų59.78%0.07935%0.345CS..PPolyproline II helixtrans-71.5130.8171.5-60.8-73.7000110F182 G183 C185 S197 P199 Q210 H212F182-F192 HydrophobicContact CB-CB 3.99Å; F182-F192 HydrophobicContact CB-CD2 3.41Å; F182-F192 VanDerWaalsContact CB-CD2 3.41Å; F182-F192 HydrophobicContact CB-CE2 4.23Å; F182-F192 HydrophobicContact CB-CG 3.93Å; G183-F192 WeakPolarHBondContact O-CD2 3.34Å; G183-F192 WeakPolarHBondContact O-CE2 3.29Å; C185-F192 HydrophobicContact CB-CE1 4.14Å; C185-F192 HydrophobicContact CB-CZ 3.88Å; F192-S197 WeakPolarHBondContact CA-OG 3.48Å; F192-S197 WeakPolarHBondContact CB-O 2.97Å; F192-S197 VanDerWaalsContact CB-OG 3.31Å; F192-S197 WeakPolarHBondContact CB-OG 3.5Å; F192-P199 HydrophobicContact CD1-CB 3.99Å; F192-P199 HydrophobicContact CD2-CB 4.39Å; F192-P199 HydrophobicContact CE1-CB 3.55Å; F192-P199 HydrophobicContact CE2-CB 3.99Å; F192-P199 HydrophobicContact CG-CB 4.41Å; F192-P199 HydrophobicContact CZ-CB 3.56Å; F192-Q210 HydrophobicContact CE2-CB 3.94Å; F192-Q210 HydrophobicContact CZ-CB 3.89Å; F192-H212 AromaticContact CD1-CD2 3.62Å; F192-H212 AromaticContact CD1-NE2 3.58Å; F192-H212 AromaticContact CE1-CD2 3.72Å; F192-H212 AromaticContact CE1-NE2 3.86Å
193S79.5Confident87.2Confident65 Ų6559.8 Ų59.846%0.45535%0.353SS..PPolyproline II helixtrans-68.3137174.767.80000110.6D195 S196 S197S193-D195 PolarHBondContact O-N 3.25Å; S193-S196 PolarHBondContact O-N 2.99Å; S193-S197 PolarHBondContact N-OG 3.16Å; S193-S197 PolarHBondContact O-N 2.92Å; S193-S197 PolarHBondContact O-OG 3.45Å
194V66.4Low87.6Confident146 Ų14661 Ų6189%0.88536%0.356SS*.THydrogen-bonded Turntrans-57.2-35.9178.7-175.70000110.9
195D62.9Low87.5Confident148 Ų14861.2 Ų61.279%0.79137%0.366SS*.THydrogen-bonded Turntrans-87-13.9-170.2-62.3-36.1000115.1S193S193-D195 PolarHBondContact O-N 3.25Å
196S61.1Low87.5Confident102 Ų10262.3 Ų62.371%0.71337%0.373SS*.THydrogen-bonded Turntrans-158.7-7.9-168.2-80.50000119.3S193S193-S196 PolarHBondContact O-N 2.99Å
197S72.3Confident87.3Confident25 Ų2565.8 Ų65.818%0.17540%0.401CS..  trans-118.475.6-176.367.70000112.8F192 S193 P199F192-S197 WeakPolarHBondContact CA-OG 3.48Å; F192-S197 WeakPolarHBondContact CB-O 2.97Å; F192-S197 VanDerWaalsContact CB-OG 3.31Å; F192-S197 WeakPolarHBondContact CB-OG 3.5Å; S193-S197 PolarHBondContact N-OG 3.16Å; S193-S197 PolarHBondContact O-N 2.92Å; S193-S197 PolarHBondContact O-OG 3.45Å; S197-P199 WeakPolarHBondContact O-CD 3.49Å
198V87.7Confident87.2Confident13 Ų1368.7 Ų68.78%0.07942%0.416CS..PPolyproline II helixtrans-54.9125.4158.5175.70000107.6F182 W259 K262F182-V198 HydrophobicContact CZ-CG1 4.49Å; V198-W259 VanDerWaalsContact O-CD1 3.26Å; V198-W259 PolarHBondContact O-NE1 3.38Å; V198-K262 HydrophobicContact CG1-CB 3.58Å; V198-K262 HydrophobicContact CG1-CD 4.29Å
199P93Very high87.2Confident1 Ų166.6 Ų66.61%0.00640%0.402CS..PPolyproline II helixtrans-70.6148.8-179.627.2-34.4000111.4F182 F192 S197 T201 Q210F182-P199 HydrophobicContact CB-CG 4.13Å; F182-P199 VanDerWaalsContact CD1-CD 3.46Å; F182-P199 HydrophobicContact CD1-CG 3.34Å; F182-P199 HydrophobicContact CD2-CG 4.26Å; F182-P199 HydrophobicContact CE1-CG 3.71Å; F182-P199 VanDerWaalsContact CG-CD 3.44Å; F182-P199 HydrophobicContact CG-CG 3.65Å; F182-P199 HydrophobicContact CZ-CG 4.31Å; F192-P199 HydrophobicContact CD1-CB 3.99Å; F192-P199 HydrophobicContact CD2-CB 4.39Å; F192-P199 HydrophobicContact CE1-CB 3.55Å; F192-P199 HydrophobicContact CE2-CB 3.99Å; F192-P199 HydrophobicContact CG-CB 4.41Å; F192-P199 HydrophobicContact CZ-CB 3.56Å; S197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-T201 HydrophobicContact CG-CG2 4.24Å; P199-Q210 HydrophobicContact CB-CB 4.19Å
200L94.8Very high87.2Confident3 Ų362.9 Ų62.92%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-68.7137.6153.1-67.5169.5000107.8Q210 W211 L213 L216 W252 L255 I256 W259L200-Q210 WeakPolarHBondContact O-CA 3.44Å; L200-W211 HydrophobicContact CB-CE3 4.4Å; L200-W211 PolarHBondContact N-O 2.89Å; L200-W211 PolarHBondContact O-N 3.15Å; L200-L213 HydrophobicContact CD1-CD1 4.03Å; L200-L216 HydrophobicContact CB-CD2 4.12Å; L200-L216 HydrophobicContact CD1-CB 4Å; L200-L216 HydrophobicContact CD1-CD2 3.7Å; L200-L216 HydrophobicContact CD1-CG 4.43Å; L200-W252 HydrophobicContact CD1-CH2 4.2Å; L200-W252 HydrophobicContact CD1-CZ3 3.79Å; L200-L255 HydrophobicContact CD2-CB 4.08Å; L200-I256 HydrophobicContact CD2-CD1 4.43Å; L200-W259 HydrophobicContact CD2-CB 3.5Å; L200-W259 HydrophobicContact CD2-CG 3.74Å; L200-W259 HydrophobicContact CG-CG 4.49Å
201T94.9Very high87.3Confident34 Ų3458 Ų5821%0.20936%0.36CS..EExtended strand (participates in β ladder)trans-122.3142.6-177.558.30000111.2P199 G209 Q210 K262P199-T201 HydrophobicContact CG-CG2 4.24Å; T201-G209 CarbonylContact C-O 3.44Å; T201-G209 WeakPolarHBondContact CA-O 3.4Å; T201-Q210 HydrophobicContact CG2-CG 4.41Å; T201-K262 PolarHBondContact OG1-NZ 3.45Å
202C96.3Very high87.5Confident5 Ų555.8 Ų55.83%0.03434%0.343CS..  trans-57.7130.8173.2-1780000110.6S204 S205 C206 G209 W211 A248C202-S204 PolarHBondContact O-N 2.69Å; C202-S204 PolarHBondContact SG-N 3.28Å; C202-S205 PolarHBondContact O-N 2.92Å; C202-C206 HydrophobicContact CB-CB 4.5Å; C202-C206 WeakPolarHBondContact CB-SG 3.47Å; C202-C206 PolarHBondContact SG-SG 2.71Å; C202-G209 PolarHBondContact N-O 2.87Å; C202-W211 HydrophobicContact CB-CH2 3.77Å; C202-W211 HydrophobicContact CB-CZ3 4.07Å; C202-A248 WeakPolarHBondContact SG-CB 3.36Å
203P94.4Very high87.7Confident83 Ų8357.4 Ų57.454%0.53935%0.352SS..THydrogen-bonded Turntrans-65.4-24.7178.426.2-33.5000112.7S205 A248 L250P203-S205 PolarHBondContact O-N 2.89Å; P203-A248 HydrophobicContact CG-CB 4.28Å; P203-L250 HydrophobicContact CG-CD2 4.32Å
204S94.4Very high88.4Confident63 Ų6360.3 Ų60.344%0.44136%0.362SS..THydrogen-bonded Turntrans-82.111.6172.6-53.70000113.7C202 C206 A248C202-S204 PolarHBondContact O-N 2.69Å; C202-S204 PolarHBondContact SG-N 3.28Å; S204-C206 PolarHBondContact O-N 3.47Å; S204-C206 VanDerWaalsContact O-N 3.13Å; S204-A248 VanDerWaalsContact OG-CB 3.23Å; S204-A248 WeakPolarHBondContact OG-CB 3.44Å
205S91.8Very high89.8Confident108 Ų10854.7 Ų54.776%0.75533%0.329SS*.  trans52.535.1178.7-56.40000114.2C202 P203C202-S205 PolarHBondContact O-N 2.92Å; P203-S205 PolarHBondContact O-N 2.89Å
206C93.8Very high91.3Very high22 Ų2247.7 Ų47.715%0.14929%0.291CS..  trans-69.4142.1179.872.30000111.3C202 S204 L208 G209 C245C202-C206 HydrophobicContact CB-CB 4.5Å; C202-C206 WeakPolarHBondContact CB-SG 3.47Å; C202-C206 PolarHBondContact SG-SG 2.71Å; S204-C206 PolarHBondContact O-N 3.47Å; S204-C206 VanDerWaalsContact O-N 3.13Å; C206-L208 VanDerWaalsContact C-N 3.29Å; C206-L208 PolarHBondContact O-N 3.08Å; C206-G209 PolarHBondContact O-N 2.88Å; C206-G209 WeakPolarHBondContact SG-CA 3.23Å; C206-G209 PolarHBondContact SG-N 3.49Å; C206-G209 VanDerWaalsContact SG-N 3.44Å; C206-C245 HydrophobicContact CB-CB 3.89Å
207P91.7Very high92.9Very high127 Ų12743.4 Ų43.483%0.82526%0.262SS*.THydrogen-bonded Turntrans-60.6-32.2-171.9-27.135.2000115
208L93.9Very high94Very high121 Ų12147 Ų4763%0.63428%0.279SS*.THydrogen-bonded Turntrans-95.18178.1-60.4179.1000112.7Q186 C206 Q210 A244Q186-L208 WeakPolarHBondContact CB-O 3.19Å; Q186-L208 HydrophobicContact CG-CB 4.36Å; Q186-L208 WeakPolarHBondContact CG-O 3.33Å; C206-L208 VanDerWaalsContact C-N 3.29Å; C206-L208 PolarHBondContact O-N 3.08Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.94Å; L208-Q210 VanDerWaalsContact O-N 3.08Å; L208-A244 HydrophobicContact CB-CB 3.92Å
209G95.8Very high94.3Very high1 Ų150.1 Ų50.11%0.0129%0.29CS..  trans-86.950.3-172.800000113.7T201 C202 C206 W211T201-G209 CarbonylContact C-O 3.44Å; T201-G209 WeakPolarHBondContact CA-O 3.4Å; C202-G209 PolarHBondContact N-O 2.87Å; C206-G209 PolarHBondContact O-N 2.88Å; C206-G209 WeakPolarHBondContact SG-CA 3.23Å; C206-G209 PolarHBondContact SG-N 3.49Å; C206-G209 VanDerWaalsContact SG-N 3.44Å; G209-W211 WeakPolarHBondContact O-CZ3 3.27Å
210Q94.8Very high94.3Very high51 Ų5150 Ų5024%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-126.2130.1178.9-62.1-171.7-15.300110.9G183 C185 Q186 F192 P199 L200 T201 L208G183-Q210 VanDerWaalsContact N-OE1 3.1Å; C185-Q210 WeakPolarHBondContact CA-O 3.38Å; Q186-Q210 PolarHBondContact N-O 3.03Å; F192-Q210 HydrophobicContact CE2-CB 3.94Å; F192-Q210 HydrophobicContact CZ-CB 3.89Å; P199-Q210 HydrophobicContact CB-CB 4.19Å; L200-Q210 WeakPolarHBondContact O-CA 3.44Å; T201-Q210 HydrophobicContact CG2-CG 4.41Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.94Å; L208-Q210 VanDerWaalsContact O-N 3.08Å
211W95.8Very high94.1Very high0 Ų051.6 Ų51.60%030%0.299CS..EExtended strand (participates in β ladder)trans-142.5148.9-175.4-49-82.3000113.6I187 L200 C202 G209 L216 C242 P243 A244 L250I187-W211 HydrophobicContact CD1-CG 4.25Å; L200-W211 HydrophobicContact CB-CE3 4.4Å; L200-W211 PolarHBondContact N-O 2.89Å; L200-W211 PolarHBondContact O-N 3.15Å; C202-W211 HydrophobicContact CB-CH2 3.77Å; C202-W211 HydrophobicContact CB-CZ3 4.07Å; G209-W211 WeakPolarHBondContact O-CZ3 3.27Å; W211-L216 HydrophobicContact CB-CB 3.81Å; W211-L216 HydrophobicContact CB-CD2 4.49Å; W211-L216 HydrophobicContact CD2-CD1 3.92Å; W211-L216 HydrophobicContact CD2-CD2 4.15Å; W211-L216 HydrophobicContact CD2-CG 4.47Å; W211-L216 HydrophobicContact CE3-CD1 4.23Å; W211-L216 HydrophobicContact CE3-CD2 3.7Å; W211-L216 HydrophobicContact CE3-CG 4.49Å; W211-L216 HydrophobicContact CG-CB 4.22Å; W211-L216 HydrophobicContact CG-CD1 4.06Å; W211-L216 HydrophobicContact CG-CD2 4.5Å; W211-L216 HydrophobicContact CG-CG 4.49Å; W211-L216 HydrophobicContact CZ3-CD2 4.23Å; W211-C242 VanDerWaalsContact CH2-SG 3.51Å; W211-C242 VanDerWaalsContact CZ2-SG 3.57Å; W211-P243 HydrophobicContact CZ2-CG 3.77Å; W211-A244 HydrophobicContact CZ2-CB 4.27Å; W211-L250 HydrophobicContact CH2-CD1 4.26Å; W211-L250 HydrophobicContact CH2-CD2 4.43Å; W211-L250 HydrophobicContact CZ3-CD1 4.43Å; W211-L250 HydrophobicContact CZ3-CD2 4.49Å
212H94Very high93.7Very high35 Ų3556.6 Ų56.616%0.16232%0.32CS..  trans-63.6147.4162.6-64.7114.7000110C185 C188 I190 F192 L214 C215 L216C185-H212 VanDerWaalsContact CB-CE1 3.44Å; C185-H212 WeakPolarHBondContact CB-CE1 3.42Å; C185-H212 WeakPolarHBondContact CB-ND1 3.35Å; C185-H212 PolarHBondContact SG-N 3.05Å; C185-H212 VanDerWaalsContact SG-N 3.42Å; C188-H212 VanDerWaalsContact SG-CE1 3.56Å; C188-H212 PolarHBondContact SG-ND1 2.93Å; I190-H212 PolarHBondContact O-CE1 2.98Å; F192-H212 AromaticContact CD1-CD2 3.62Å; F192-H212 AromaticContact CD1-NE2 3.58Å; F192-H212 AromaticContact CE1-CD2 3.72Å; F192-H212 AromaticContact CE1-NE2 3.86Å; H212-L214 VanDerWaalsContact C-N 3.3Å; H212-L214 PolarHBondContact O-N 2.9Å; H212-C215 HydrophobicContact CB-CB 4.01Å; H212-C215 PolarHBondContact O-N 3.31Å; H212-L216 PolarHBondContact O-N 3.34Å
213L93.1Very high92.6Very high53 Ų5359.2 Ų59.228%0.27734%0.342SS..Hα-helixtrans-49.3-51.3176.9-18067.9000111.9L200 A217 W252 I256 W259L200-L213 HydrophobicContact CD1-CD1 4.03Å; L213-A217 VanDerWaalsContact O-CB 3.3Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 2.79Å; L213-W252 HydrophobicContact CD1-CH2 3.63Å; L213-W252 HydrophobicContact CD1-CZ2 4.01Å; L213-W252 HydrophobicContact CG-CH2 4.43Å; L213-I256 HydrophobicContact CD1-CD1 3.39Å; L213-W259 HydrophobicContact CD2-CH2 4Å; L213-W259 HydrophobicContact CD2-CZ2 4.23Å; L213-W259 HydrophobicContact CD2-CZ3 4.41Å
214L93.5Very high91.3Very high126 Ų12657.9 Ų57.966%0.6633%0.33SS*.Hα-helixtrans-73.9-36.8-177.3-63.1-179.7000113H212 A217 N218H212-L214 VanDerWaalsContact C-N 3.3Å; H212-L214 PolarHBondContact O-N 2.9Å; L214-A217 PolarHBondContact O-N 2.96Å; L214-N218 WeakPolarHBondContact O-CB 3.24Å; L214-N218 VanDerWaalsContact O-CG 3.25Å; L214-N218 PolarHBondContact O-N 2.77Å; L214-N218 PolarHBondContact O-ND2 2.92Å
215C95.5Very high89.6Confident28 Ų2859.7 Ų59.719%0.18934%0.339CS..Hα-helixtrans-61.3-48.1177.8-67.30000110.9I187 H212 Y219I187-C215 HydrophobicContact CB-CB 3.99Å; I187-C215 HydrophobicContact CD1-CB 4.1Å; I187-C215 WeakPolarHBondContact CD1-O 3.47Å; I187-C215 HydrophobicContact CG2-CB 3.94Å; H212-C215 HydrophobicContact CB-CB 4.01Å; H212-C215 PolarHBondContact O-N 3.31Å; C215-Y219 PolarHBondContact O-N 3.15Å; C215-Y219 VanDerWaalsContact O-N 3.14Å
216L95.9Very high87.8Confident0 Ų058.5 Ų58.50%033%0.327CS..Hα-helixtrans-69.6-38.4178.2-168.863.5000111.9I187 L200 W211 H212 N218 Y219 M220 P243 L250 L255I187-L216 HydrophobicContact CD1-CD1 4.29Å; L200-L216 HydrophobicContact CB-CD2 4.12Å; L200-L216 HydrophobicContact CD1-CB 4Å; L200-L216 HydrophobicContact CD1-CD2 3.7Å; L200-L216 HydrophobicContact CD1-CG 4.43Å; W211-L216 HydrophobicContact CB-CB 3.81Å; W211-L216 HydrophobicContact CB-CD2 4.49Å; W211-L216 HydrophobicContact CD2-CD1 3.92Å; W211-L216 HydrophobicContact CD2-CD2 4.15Å; W211-L216 HydrophobicContact CD2-CG 4.47Å; W211-L216 HydrophobicContact CE3-CD1 4.23Å; W211-L216 HydrophobicContact CE3-CD2 3.7Å; W211-L216 HydrophobicContact CE3-CG 4.49Å; W211-L216 HydrophobicContact CG-CB 4.22Å; W211-L216 HydrophobicContact CG-CD1 4.06Å; W211-L216 HydrophobicContact CG-CD2 4.5Å; W211-L216 HydrophobicContact CG-CG 4.49Å; W211-L216 HydrophobicContact CZ3-CD2 4.23Å; H212-L216 PolarHBondContact O-N 3.34Å; L216-N218 VanDerWaalsContact C-N 3.34Å; L216-N218 PolarHBondContact O-N 2.9Å; L216-Y219 HydrophobicContact CD1-CD1 4.29Å; L216-Y219 PolarHBondContact O-N 2.88Å; L216-M220 HydrophobicContact CD1-CG 4.22Å; L216-M220 HydrophobicContact CD1-SD 4.4Å; L216-M220 HydrophobicContact CD2-SD 4.2Å; L216-M220 HydrophobicContact CG-CG 4.14Å; L216-M220 HydrophobicContact CG-SD 3.86Å; L216-M220 WeakPolarHBondContact O-CB 3.34Å; L216-M220 VanDerWaalsContact O-CG 3.29Å; L216-M220 WeakPolarHBondContact O-CG 3.31Å; L216-M220 PolarHBondContact O-N 3.34Å; L216-P243 HydrophobicContact CD1-CG 4.27Å; L216-L250 HydrophobicContact CD1-CD1 3.89Å; L216-L250 HydrophobicContact CD2-CD1 4.2Å; L216-L255 HydrophobicContact CD2-CD1 3.83Å
217A94.8Very high85.9Confident13 Ų1364.2 Ų64.211%0.10736%0.364CS..Hα-helixtrans-56.3-49.9176.500000111.8L213 L214 Y219 M220 T221 P237 W252L213-A217 VanDerWaalsContact O-CB 3.3Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 2.79Å; L214-A217 PolarHBondContact O-N 2.96Å; A217-Y219 PolarHBondContact O-N 3.1Å; A217-M220 PolarHBondContact O-N 3.36Å; A217-T221 WeakPolarHBondContact O-CB 3.44Å; A217-T221 PolarHBondContact O-N 2.94Å; A217-T221 PolarHBondContact O-OG1 3.17Å; A217-P237 HydrophobicContact CB-CG 4.41Å; A217-W252 HydrophobicContact CB-CH2 3.56Å; A217-W252 HydrophobicContact CB-CZ2 4.14Å; A217-W252 HydrophobicContact CB-CZ3 4.1Å
218N93.9Very high84.3Confident99 Ų9965.4 Ų65.453%0.52936%0.363SS..Hα-helixtrans-62.7-43.1-180-70.8-16.3000111.7L214 L216 Q222L214-N218 WeakPolarHBondContact O-CB 3.24Å; L214-N218 VanDerWaalsContact O-CG 3.25Å; L214-N218 PolarHBondContact O-N 2.77Å; L214-N218 PolarHBondContact O-ND2 2.92Å; L216-N218 VanDerWaalsContact C-N 3.34Å; L216-N218 PolarHBondContact O-N 2.9Å; N218-Q222 VanDerWaalsContact O-CG 3.3Å; N218-Q222 WeakPolarHBondContact O-CG 3.26Å; N218-Q222 PolarHBondContact O-N 2.95Å; N218-Q222 VanDerWaalsContact O-N 3.08Å
219Y94Very high82.3Confident79 Ų7969.3 Ų69.331%0.3137%0.37SS..Hα-helixtrans-58.5-50.9175.4173.5-95.4000111.8I187 C215 L216 A217 T221 Q222 A223 A240 P243I187-Y219 HydrophobicContact CD1-CG 4.41Å; C215-Y219 PolarHBondContact O-N 3.15Å; C215-Y219 VanDerWaalsContact O-N 3.14Å; L216-Y219 HydrophobicContact CD1-CD1 4.29Å; L216-Y219 PolarHBondContact O-N 2.88Å; A217-Y219 PolarHBondContact O-N 3.1Å; Y219-T221 PolarHBondContact O-N 3.45Å; Y219-Q222 PolarHBondContact O-N 3.35Å; Y219-A223 PolarHBondContact O-N 3.22Å; Y219-A240 HydrophobicContact CE1-CB 4.35Å; Y219-P243 HydrophobicContact CD1-CB 4.29Å; Y219-P243 HydrophobicContact CD1-CG 4.18Å; Y219-P243 HydrophobicContact CD2-CB 4.43Å; Y219-P243 HydrophobicContact CE1-CB 3.78Å; Y219-P243 HydrophobicContact CE1-CG 4Å; Y219-P243 HydrophobicContact CE2-CB 3.93Å
220M93.8Very high80.4Confident0 Ų074.4 Ų74.40%041%0.405CS..Hα-helixtrans-66.4-38.6-177.5-66179.672.100112.1L216 A217 Q222 A223 D224 P237 A240 L250 W252 L255L216-M220 HydrophobicContact CD1-CG 4.22Å; L216-M220 HydrophobicContact CD1-SD 4.4Å; L216-M220 HydrophobicContact CD2-SD 4.2Å; L216-M220 HydrophobicContact CG-CG 4.14Å; L216-M220 HydrophobicContact CG-SD 3.86Å; L216-M220 WeakPolarHBondContact O-CB 3.34Å; L216-M220 VanDerWaalsContact O-CG 3.29Å; L216-M220 WeakPolarHBondContact O-CG 3.31Å; L216-M220 PolarHBondContact O-N 3.34Å; A217-M220 PolarHBondContact O-N 3.36Å; M220-Q222 VanDerWaalsContact C-N 3.35Å; M220-Q222 PolarHBondContact O-N 3.21Å; M220-A223 PolarHBondContact O-N 3.19Å; M220-D224 PolarHBondContact O-N 3.49Å; M220-P237 HydrophobicContact CB-CB 3.36Å; M220-P237 HydrophobicContact CB-CG 4.21Å; M220-P237 HydrophobicContact CE-CB 4.41Å; M220-P237 HydrophobicContact CG-CB 4.43Å; M220-P237 HydrophobicContact SD-CB 4.38Å; M220-A240 HydrophobicContact CB-CB 4.19Å; M220-A240 HydrophobicContact CE-CB 4.16Å; M220-A240 HydrophobicContact CG-CB 3.77Å; M220-L250 HydrophobicContact CE-CB 3.95Å; M220-L250 WeakPolarHBondContact CE-O 3.4Å; M220-L250 HydrophobicContact SD-CB 4.4Å; M220-W252 HydrophobicContact CE-CB 4.18Å; M220-W252 HydrophobicContact SD-CE3 3.8Å; M220-W252 HydrophobicContact SD-CZ3 4.36Å; M220-L255 HydrophobicContact SD-CD1 4.36Å
221T91.1Very high78.5Confident36 Ų3681.1 Ų81.122%0.22144%0.436CS..Hα-helixtrans-67.2-33.9177.4-69.50000112.6A217 Y219 Y234A217-T221 WeakPolarHBondContact O-CB 3.44Å; A217-T221 PolarHBondContact O-N 2.94Å; A217-T221 PolarHBondContact O-OG1 3.17Å; Y219-T221 PolarHBondContact O-N 3.45Å; T221-Y234 WeakPolarHBondContact CG2-O 3.24Å
222Q85Confident76.9Confident139 Ų13986.4 Ų86.465%0.6546%0.464SS*.Hα-helixtrans-73.2-34.5174.2-71.1173.11800112N218 Y219 M220 D224 T225N218-Q222 VanDerWaalsContact O-CG 3.3Å; N218-Q222 WeakPolarHBondContact O-CG 3.26Å; N218-Q222 PolarHBondContact O-N 2.95Å; N218-Q222 VanDerWaalsContact O-N 3.08Å; Y219-Q222 PolarHBondContact O-N 3.35Å; M220-Q222 VanDerWaalsContact C-N 3.35Å; M220-Q222 PolarHBondContact O-N 3.21Å; Q222-D224 PolarHBondContact O-N 3.47Å; Q222-T225 PolarHBondContact O-N 3.22Å; Q222-T225 PolarHBondContact O-OG1 2.74Å
223A72.9Confident76Confident59 Ų5989.4 Ų89.449%0.48849%0.489SS..Hα-helixtrans-66.1-25.5175.500000113Y219 M220 T225 A240Y219-A223 PolarHBondContact O-N 3.22Å; M220-A223 PolarHBondContact O-N 3.19Å; A223-T225 VanDerWaalsContact C-N 3.3Å; A223-T225 PolarHBondContact O-N 3.34Å; A223-A240 HydrophobicContact CB-CB 4.44Å
224D67.7Low75.6Confident55 Ų5589.8 Ų89.829%0.29449%0.487SS..THydrogen-bonded Turntrans-72.5-15.7177.8-81.3-54.2000113.8R134 M220 Q222 V226R134-D224 IonicContact CZ-OD2 3.74Å; R134-D224 IonicContact NH1-OD1 2.76Å; R134-D224 IonicContact NH1-OD2 4Å; R134-D224 IonicContact NH2-OD1 2.74Å; R134-D224 IonicContact NH2-OD2 2.8Å; R134-D224 PolarHBondContact NH2-OD2 2.79Å; M220-D224 PolarHBondContact O-N 3.49Å; Q222-D224 PolarHBondContact O-N 3.47Å; D224-V226 PolarHBondContact O-N 2.81Å
225T58.9Low75.3Confident101 Ų10191.8 Ų91.862%0.6250%0.497SS*.  trans-78.588.9-179.760.10000110.7Q222 A223Q222-T225 PolarHBondContact O-N 3.22Å; Q222-T225 PolarHBondContact O-OG1 2.74Å; A223-T225 VanDerWaalsContact C-N 3.3Å; A223-T225 PolarHBondContact O-N 3.34Å
226V54.4Low75Confident84 Ų8493 Ų9351%0.50950%0.501SS..  trans-74.5131.4166.4-178.10000108.7D224 D228 R229D224-V226 PolarHBondContact O-N 2.81Å; V226-D228 PolarHBondContact O-N 2.94Å; V226-R229 PolarHBondContact O-N 3.32Å
227P54.1Low74.9Confident141 Ų14193.1 Ų93.192%0.91650%0.502SS*.THydrogen-bonded Turntrans-58.5-21-176.2-25.432.9000116.1
228D56.7Low74.8Confident153 Ų15394.1 Ų94.182%0.81851%0.505SS*.THydrogen-bonded Turntrans-109.55.6-167.7-166.236.8000114.4V226V226-D228 PolarHBondContact O-N 2.94Å
229R53.2Low74.7Confident203 Ų20391.1 Ų91.177%0.76649%0.492SS*.SBendtrans-106.9121.8173-69.3-171.6-180-152.20.8109.3V226 E231V226-R229 PolarHBondContact O-N 3.32Å; R229-E231 PolarHBondContact O-N 3.02Å; R229-E231 VanDerWaalsContact O-N 3.07Å
230S54.9Low74.7Confident108 Ų10888 Ų8876%0.75548%0.483SS*.  trans-30.9115.2166.355.20000110.8I232S230-I232 VanDerWaalsContact C-N 3.33Å; S230-I232 PolarHBondContact O-N 2.66Å
231E54.8Low74.8Confident191 Ų19192.5 Ų92.589%0.89351%0.506SS*.  trans-59.274.4-161.1-61.6173.9152.900114.7R229 S233R229-E231 PolarHBondContact O-N 3.02Å; R229-E231 VanDerWaalsContact O-N 3.07Å; E231-S233 VanDerWaalsContact C-N 3.32Å; E231-S233 PolarHBondContact O-N 3.34Å; E231-S233 VanDerWaalsContact O-N 3.15Å
232I63.6Low75.1Confident112 Ų11290.8 Ų90.857%0.57450%0.496SS*.  trans-84.687.3162.9-53.5178.6000107.1S230 Y234S230-I232 VanDerWaalsContact C-N 3.33Å; S230-I232 PolarHBondContact O-N 2.66Å; I232-Y234 HydrophobicContact CB-CE2 4.08Å; I232-Y234 HydrophobicContact CG2-CD1 4.4Å; I232-Y234 HydrophobicContact CG2-CD2 4.17Å; I232-Y234 HydrophobicContact CG2-CE1 3.93Å; I232-Y234 HydrophobicContact CG2-CE2 3.65Å; I232-Y234 VanDerWaalsContact O-CD2 3.27Å; I232-Y234 WeakPolarHBondContact O-CD2 3.28Å; I232-Y234 PolarHBondContact O-N 3.28Å
233S74.6Confident75.6Confident98 Ų9884.8 Ų84.869%0.68547%0.469SS*.  trans-68.3116.2170.262.70000109.5E231E231-S233 VanDerWaalsContact C-N 3.32Å; E231-S233 PolarHBondContact O-N 3.34Å; E231-S233 VanDerWaalsContact O-N 3.15Å
234Y83.4Confident76.6Confident61 Ų6183.2 Ų83.224%0.23946%0.456CS..  trans-94.5126.1176.3-70.9-80.6000110R134 T221 I232 I236R134-Y234 HydrophobicContact CG-CD1 3.58Å; R134-Y234 HydrophobicContact CG-CE1 3.94Å; R134-Y234 HydrophobicContact CG-CG 4.01Å; T221-Y234 WeakPolarHBondContact CG2-O 3.24Å; I232-Y234 HydrophobicContact CB-CE2 4.08Å; I232-Y234 HydrophobicContact CG2-CD1 4.4Å; I232-Y234 HydrophobicContact CG2-CD2 4.17Å; I232-Y234 HydrophobicContact CG2-CE1 3.93Å; I232-Y234 HydrophobicContact CG2-CE2 3.65Å; I232-Y234 VanDerWaalsContact O-CD2 3.27Å; I232-Y234 WeakPolarHBondContact O-CD2 3.28Å; I232-Y234 PolarHBondContact O-N 3.28Å; Y234-I236 PolarHBondContact O-N 3.06Å
235L87.1Confident78Confident168 Ų16882.7 Ų82.788%0.8846%0.456SS*.SBendtrans-69.8-13.5172.5-63176.4000113.4
236I91Very high79.7Confident54 Ų5484.3 Ų84.328%0.27745%0.454SS..SBendtrans-112115.9178.9-55.6177.9000107.6R134 L135 Y234R134-I236 HydrophobicContact CB-CB 4.01Å; R134-I236 HydrophobicContact CB-CG2 4.09Å; R134-I236 PolarHBondContact NE-O 3Å; R134-I236 PolarHBondContact NH2-O 2.9Å; L135-I236 HydrophobicContact CD2-CD1 3.69Å; Y234-I236 PolarHBondContact O-N 3.06Å
237P93.1Very high81.6Confident2 Ų286.6 Ų86.61%0.01346%0.464CS..  trans-65.7155.4175.530-36.4000110.2A217 M220 W252A217-P237 HydrophobicContact CB-CG 4.41Å; M220-P237 HydrophobicContact CB-CB 3.36Å; M220-P237 HydrophobicContact CB-CG 4.21Å; M220-P237 HydrophobicContact CE-CB 4.41Å; M220-P237 HydrophobicContact CG-CB 4.43Å; M220-P237 HydrophobicContact SD-CB 4.38Å; P237-W252 HydrophobicContact CG-CB 4.2Å; P237-W252 HydrophobicContact CG-CD2 3.41Å; P237-W252 VanDerWaalsContact CG-CD2 3.41Å; P237-W252 HydrophobicContact CG-CE3 3.63Å; P237-W252 HydrophobicContact CG-CG 3.69Å; P237-W252 HydrophobicContact CG-CH2 4.33Å; P237-W252 HydrophobicContact CG-CZ2 4.13Å; P237-W252 HydrophobicContact CG-CZ3 4.09Å; P237-W252 VanDerWaalsContact O-CB 3.27Å; P237-W252 WeakPolarHBondContact O-CB 3.12Å
238L91.8Very high83.5Confident34 Ų3480 Ų8018%0.17842%0.422CS..  trans-113.5-64.9176.6176.260.1000110.5H159 L251 W252H159-L238 HydrophobicContact CB-CD1 4.46Å; H159-L238 VanDerWaalsContact CE1-CD1 3.47Å; H159-L238 WeakPolarHBondContact CE1-CD1 3.48Å; H159-L238 WeakPolarHBondContact ND1-CD1 3.44Å; L238-L251 HydrophobicContact CD1-CD1 4Å; L238-W252 WeakPolarHBondContact O-CB 3.09Å; L238-W252 PolarHBondContact O-N 3.37Å
239S92.7Very high85.3Confident35 Ų3579.3 Ų79.325%0.24541%0.413CS..EExtended strand (participates in β ladder)trans-145.1155.517957.20000112.5L250S239-L250 WeakPolarHBondContact CA-O 3.33Å; S239-L250 VanDerWaalsContact CB-O 3.29Å; S239-L250 WeakPolarHBondContact CB-O 3.47Å
240A94.1Very high87.3Confident15 Ų1569.6 Ų69.612%0.12438%0.377CS..EExtended strand (participates in β ladder)trans-158.3166.7172.200000108.8Y219 M220 A223 L250Y219-A240 HydrophobicContact CE1-CB 4.35Å; M220-A240 HydrophobicContact CB-CB 4.19Å; M220-A240 HydrophobicContact CE-CB 4.16Å; M220-A240 HydrophobicContact CG-CB 3.77Å; A223-A240 HydrophobicContact CB-CB 4.44Å; A240-L250 PolarHBondContact N-O 3.11Å; A240-L250 VanDerWaalsContact N-O 3.12Å; A240-L250 WeakPolarHBondContact O-CA 3.37Å; A240-L250 VanDerWaalsContact O-CB 3.28Å; A240-L250 WeakPolarHBondContact O-CB 3.47Å; A240-L250 PolarHBondContact O-N 3.01Å
241L95.3Very high89.2Confident94 Ų9466.8 Ų66.849%0.49235%0.353SS..EExtended strand (participates in β ladder)trans-72.5152.7163.3-67.4175.8000110.1P243L241-P243 WeakPolarHBondContact O-CD 3.36Å
242C96.8Very high91.1Very high0 Ų059.1 Ų59.10%032%0.316CS..  trans-58.4121.71701740000110.2W211 A244 C245 F246 A248 L250W211-C242 VanDerWaalsContact CH2-SG 3.51Å; W211-C242 VanDerWaalsContact CZ2-SG 3.57Å; C242-A244 PolarHBondContact O-N 2.89Å; C242-A244 VanDerWaalsContact O-N 3.08Å; C242-A244 PolarHBondContact SG-N 3.04Å; C242-C245 PolarHBondContact SG-N 3.03Å; C242-C245 VanDerWaalsContact SG-N 3.41Å; C242-C245 PolarHBondContact SG-SG 2.84Å; C242-F246 VanDerWaalsContact O-CA 3.29Å; C242-F246 WeakPolarHBondContact O-CA 3.34Å; C242-F246 PolarHBondContact O-N 3.23Å; C242-A248 HydrophobicContact CB-CB 3.97Å; C242-A248 PolarHBondContact N-O 3.25Å; C242-L250 HydrophobicContact CB-CD1 4.37Å; C242-L250 HydrophobicContact CB-CD2 4.2Å; C242-L250 HydrophobicContact CB-CG 4.21Å
243P95.6Very high92.5Very high13 Ų1354.6 Ų54.68%0.08429%0.294CS..THydrogen-bonded Turntrans-65.6-13.4-179.824.3-33.6000113.8W211 L216 Y219 L241 F246W211-P243 HydrophobicContact CZ2-CG 3.77Å; L216-P243 HydrophobicContact CD1-CG 4.27Å; Y219-P243 HydrophobicContact CD1-CB 4.29Å; Y219-P243 HydrophobicContact CD1-CG 4.18Å; Y219-P243 HydrophobicContact CD2-CB 4.43Å; Y219-P243 HydrophobicContact CE1-CB 3.78Å; Y219-P243 HydrophobicContact CE1-CG 4Å; Y219-P243 HydrophobicContact CE2-CB 3.93Å; L241-P243 WeakPolarHBondContact O-CD 3.36Å; P243-F246 WeakPolarHBondContact O-CZ 3.45Å
244A95.4Very high93.3Very high25 Ų2553.2 Ų53.221%0.20728%0.284CS..THydrogen-bonded Turntrans-97.6-52.1-177.200000112.8Q186 L208 W211 C242Q186-A244 HydrophobicContact CG-CB 4.13Å; L208-A244 HydrophobicContact CB-CB 3.92Å; W211-A244 HydrophobicContact CZ2-CB 4.27Å; C242-A244 PolarHBondContact O-N 2.89Å; C242-A244 VanDerWaalsContact O-N 3.08Å; C242-A244 PolarHBondContact SG-N 3.04Å
245C96Very high93.8Very high44 Ų4450.9 Ų50.930%0.29728%0.275SS..THydrogen-bonded Turntrans-104.6-12.5-175.770.10000114.4C206 C242 N247C206-C245 HydrophobicContact CB-CB 3.89Å; C242-C245 PolarHBondContact SG-N 3.03Å; C242-C245 VanDerWaalsContact SG-N 3.41Å; C242-C245 PolarHBondContact SG-SG 2.84Å; C245-N247 PolarHBondContact O-N 3.16Å
246F94.3Very high94.1Very high135 Ų13544.3 Ų44.359%0.59224%0.241SC*.SBendtrans55.70.9-176.7-57.2-84.2000116.4C242 P243C242-F246 VanDerWaalsContact O-CA 3.29Å; C242-F246 WeakPolarHBondContact O-CA 3.34Å; C242-F246 PolarHBondContact O-N 3.23Å; P243-F246 WeakPolarHBondContact O-CZ 3.45Å
247N94.3Very high94Very high133 Ų13348 Ų4871%0.71126%0.255SS*.  trans-97.9-29.5-176.4-173.559.6000113C245C245-N247 PolarHBondContact O-N 3.16Å
248A95.3Very high93.8Very high3 Ų350.3 Ų50.33%0.02527%0.271CS..SBendtrans-91126.6-17800000110.8C202 P203 S204 C242 L250C202-A248 WeakPolarHBondContact SG-CB 3.36Å; P203-A248 HydrophobicContact CG-CB 4.28Å; S204-A248 VanDerWaalsContact OG-CB 3.23Å; S204-A248 WeakPolarHBondContact OG-CB 3.44Å; C242-A248 HydrophobicContact CB-CB 3.97Å; C242-A248 PolarHBondContact N-O 3.25Å; A248-L250 PolarHBondContact O-N 3.41Å
249E94.4Very high93.6Very high137 Ų13751.3 Ų51.364%0.6427%0.272SS*.EExtended strand (participates in β ladder)trans-74.5118.7164.6-170.9177.3-174.100109.2
250L95.4Very high93.3Very high0 Ų052.9 Ų52.90%028%0.275CS..EExtended strand (participates in β ladder)trans-88.1117.5175.7-60.1-173000108.5P203 W211 L216 M220 S239 A240 C242 A248 L255P203-L250 HydrophobicContact CG-CD2 4.32Å; W211-L250 HydrophobicContact CH2-CD1 4.26Å; W211-L250 HydrophobicContact CH2-CD2 4.43Å; W211-L250 HydrophobicContact CZ3-CD1 4.43Å; W211-L250 HydrophobicContact CZ3-CD2 4.49Å; L216-L250 HydrophobicContact CD1-CD1 3.89Å; L216-L250 HydrophobicContact CD2-CD1 4.2Å; M220-L250 HydrophobicContact CE-CB 3.95Å; M220-L250 WeakPolarHBondContact CE-O 3.4Å; M220-L250 HydrophobicContact SD-CB 4.4Å; S239-L250 WeakPolarHBondContact CA-O 3.33Å; S239-L250 VanDerWaalsContact CB-O 3.29Å; S239-L250 WeakPolarHBondContact CB-O 3.47Å; A240-L250 PolarHBondContact N-O 3.11Å; A240-L250 VanDerWaalsContact N-O 3.12Å; A240-L250 WeakPolarHBondContact O-CA 3.37Å; A240-L250 VanDerWaalsContact O-CB 3.28Å; A240-L250 WeakPolarHBondContact O-CB 3.47Å; A240-L250 PolarHBondContact O-N 3.01Å; C242-L250 HydrophobicContact CB-CD1 4.37Å; C242-L250 HydrophobicContact CB-CD2 4.2Å; C242-L250 HydrophobicContact CB-CG 4.21Å; A248-L250 PolarHBondContact O-N 3.41Å; L250-L255 HydrophobicContact CB-CD1 3.94Å; L250-L255 HydrophobicContact CD2-CD1 4.36Å
251L94.5Very high92.8Very high48 Ų4854.3 Ų54.325%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-107.4114171.3-177.862.7000109.7H159 L238 P253 S254 L255H159-L251 HydrophobicContact CB-CD1 3.78Å; H159-L251 HydrophobicContact CB-CD2 3.82Å; H159-L251 HydrophobicContact CB-CG 4.29Å; L238-L251 HydrophobicContact CD1-CD1 4Å; L251-P253 HydrophobicContact CD1-CG 4.44Å; L251-P253 HydrophobicContact CG-CB 4.47Å; L251-P253 HydrophobicContact CG-CG 4.42Å; L251-S254 WeakPolarHBondContact O-CB 3.38Å; L251-S254 PolarHBondContact O-N 3.32Å; L251-L255 WeakPolarHBondContact O-CG 3.46Å; L251-L255 PolarHBondContact O-N 3.31Å
252W95Very high92.2Very high30 Ų3052.2 Ų52.211%0.11427%0.266CS..Hα-helixtrans-55.8-48.5-173.3-178.3-107.8000113.8L200 L213 A217 M220 P237 L238 S254 L255 I256L200-W252 HydrophobicContact CD1-CH2 4.2Å; L200-W252 HydrophobicContact CD1-CZ3 3.79Å; L213-W252 HydrophobicContact CD1-CH2 3.63Å; L213-W252 HydrophobicContact CD1-CZ2 4.01Å; L213-W252 HydrophobicContact CG-CH2 4.43Å; A217-W252 HydrophobicContact CB-CH2 3.56Å; A217-W252 HydrophobicContact CB-CZ2 4.14Å; A217-W252 HydrophobicContact CB-CZ3 4.1Å; M220-W252 HydrophobicContact CE-CB 4.18Å; M220-W252 HydrophobicContact SD-CE3 3.8Å; M220-W252 HydrophobicContact SD-CZ3 4.36Å; P237-W252 HydrophobicContact CG-CB 4.2Å; P237-W252 HydrophobicContact CG-CD2 3.41Å; P237-W252 VanDerWaalsContact CG-CD2 3.41Å; P237-W252 HydrophobicContact CG-CE3 3.63Å; P237-W252 HydrophobicContact CG-CG 3.69Å; P237-W252 HydrophobicContact CG-CH2 4.33Å; P237-W252 HydrophobicContact CG-CZ2 4.13Å; P237-W252 HydrophobicContact CG-CZ3 4.09Å; P237-W252 VanDerWaalsContact O-CB 3.27Å; P237-W252 WeakPolarHBondContact O-CB 3.12Å; L238-W252 WeakPolarHBondContact O-CB 3.09Å; L238-W252 PolarHBondContact O-N 3.37Å; W252-S254 VanDerWaalsContact C-N 3.29Å; W252-S254 PolarHBondContact O-N 3.02Å; W252-L255 PolarHBondContact O-N 2.98Å; W252-I256 HydrophobicContact CD2-CD1 4.22Å; W252-I256 HydrophobicContact CD2-CG1 3.84Å; W252-I256 HydrophobicContact CE3-CG1 4.5Å; W252-I256 HydrophobicContact CG-CG1 4.19Å; W252-I256 HydrophobicContact CH2-CD1 3.88Å; W252-I256 HydrophobicContact CZ2-CD1 3.5Å; W252-I256 HydrophobicContact CZ2-CG1 3.93Å; W252-I256 HydrophobicContact CZ3-CD1 4.4Å; W252-I256 WeakPolarHBondContact O-CG1 3.45Å; W252-I256 PolarHBondContact O-N 3.19Å
253P92.6Very high91.5Very high18 Ų1853.5 Ų53.512%0.11727%0.274CS..Hα-helixtrans-45.1-48.8169.9-3638.6000115.1H159 L251 K257H159-P253 HydrophobicContact CB-CG 4.32Å; L251-P253 HydrophobicContact CD1-CG 4.44Å; L251-P253 HydrophobicContact CG-CB 4.47Å; L251-P253 HydrophobicContact CG-CG 4.42Å; P253-K257 WeakPolarHBondContact O-CB 3.38Å; P253-K257 PolarHBondContact O-N 3.48Å
254S91.7Very high90.7Very high68 Ų6855 Ų5548%0.47628%0.282SS..Hα-helixtrans-70.4-41.2-177.8-60.30000111.7L251 W252 K257 S258L251-S254 WeakPolarHBondContact O-CB 3.38Å; L251-S254 PolarHBondContact O-N 3.32Å; W252-S254 VanDerWaalsContact C-N 3.29Å; W252-S254 PolarHBondContact O-N 3.02Å; S254-K257 PolarHBondContact O-N 3.36Å; S254-S258 PolarHBondContact O-N 3.23Å
255L94.5Very high89.8Confident12 Ų1254.4 Ų54.46%0.06328%0.276CS..Hα-helixtrans-60.8-45.6175.8-70.7176.8000111.5L200 L216 M220 L250 L251 W252 S258 W259L200-L255 HydrophobicContact CD2-CB 4.08Å; L216-L255 HydrophobicContact CD2-CD1 3.83Å; M220-L255 HydrophobicContact SD-CD1 4.36Å; L250-L255 HydrophobicContact CB-CD1 3.94Å; L250-L255 HydrophobicContact CD2-CD1 4.36Å; L251-L255 WeakPolarHBondContact O-CG 3.46Å; L251-L255 PolarHBondContact O-N 3.31Å; W252-L255 PolarHBondContact O-N 2.98Å; L255-S258 PolarHBondContact O-N 3.06Å; L255-W259 WeakPolarHBondContact O-CB 2.92Å; L255-W259 PolarHBondContact O-N 3.3Å
256I92.3Very high88.8Confident31 Ų3153.7 Ų53.716%0.15927%0.272CS..Hα-helixtrans-67.4-37179-64.5-63.5000111.8L200 L213 W252 W259 K260L200-I256 HydrophobicContact CD2-CD1 4.43Å; L213-I256 HydrophobicContact CD1-CD1 3.39Å; W252-I256 HydrophobicContact CD2-CD1 4.22Å; W252-I256 HydrophobicContact CD2-CG1 3.84Å; W252-I256 HydrophobicContact CE3-CG1 4.5Å; W252-I256 HydrophobicContact CG-CG1 4.19Å; W252-I256 HydrophobicContact CH2-CD1 3.88Å; W252-I256 HydrophobicContact CZ2-CD1 3.5Å; W252-I256 HydrophobicContact CZ2-CG1 3.93Å; W252-I256 HydrophobicContact CZ3-CD1 4.4Å; W252-I256 WeakPolarHBondContact O-CG1 3.45Å; W252-I256 PolarHBondContact O-N 3.19Å; I256-W259 PolarHBondContact O-N 3.44Å; I256-K260 HydrophobicContact CG2-CD 4.2Å; I256-K260 HydrophobicContact CG2-CG 4.39Å; I256-K260 WeakPolarHBondContact O-CB 3.24Å; I256-K260 VanDerWaalsContact O-CG 3.3Å; I256-K260 WeakPolarHBondContact O-CG 3.4Å; I256-K260 PolarHBondContact O-N 3.22Å
257K88.4Confident87.7Confident132 Ų13254.1 Ų54.157%0.57427%0.273SS*.Hα-helixtrans-60.6-51.6173.7-174.7179.7177.9-176.60111P253 S254 W259 K260 M261P253-K257 WeakPolarHBondContact O-CB 3.38Å; P253-K257 PolarHBondContact O-N 3.48Å; S254-K257 PolarHBondContact O-N 3.36Å; K257-W259 PolarHBondContact O-N 3.02Å; K257-K260 PolarHBondContact O-N 3.03Å; K257-M261 HydrophobicContact CG-CE 4.28Å; K257-M261 HydrophobicContact CG-SD 4.42Å; K257-M261 WeakPolarHBondContact O-CG 3.49Å; K257-M261 PolarHBondContact O-N 3.11Å
258S88.6Confident86.4Confident49 Ų4951.8 Ų51.834%0.34326%0.261SS..Hα-helixtrans-61.4-43.2178.2-175.50000112S254 L255 M261 K262S254-S258 PolarHBondContact O-N 3.23Å; L255-S258 PolarHBondContact O-N 3.06Å; S258-M261 WeakPolarHBondContact O-CB 3.33Å; S258-M261 PolarHBondContact O-N 2.88Å; S258-K262 WeakPolarHBondContact O-CG 3.47Å; S258-K262 PolarHBondContact O-N 3.19Å; S258-K262 VanDerWaalsContact O-N 3.07Å
259W89.3Confident84.8Confident55 Ų5553.5 Ų53.521%0.20827%0.273CS..Hα-helixtrans-63-42.8178.6177.377.1000113.3V198 L200 L213 L255 I256 K257 M261 K262 T263V198-W259 VanDerWaalsContact O-CD1 3.26Å; V198-W259 PolarHBondContact O-NE1 3.38Å; L200-W259 HydrophobicContact CD2-CB 3.5Å; L200-W259 HydrophobicContact CD2-CG 3.74Å; L200-W259 HydrophobicContact CG-CG 4.49Å; L213-W259 HydrophobicContact CD2-CH2 4Å; L213-W259 HydrophobicContact CD2-CZ2 4.23Å; L213-W259 HydrophobicContact CD2-CZ3 4.41Å; L255-W259 WeakPolarHBondContact O-CB 2.92Å; L255-W259 PolarHBondContact O-N 3.3Å; I256-W259 PolarHBondContact O-N 3.44Å; K257-W259 PolarHBondContact O-N 3.02Å; W259-M261 VanDerWaalsContact C-N 3.34Å; W259-M261 PolarHBondContact O-N 3.18Å; W259-K262 PolarHBondContact O-N 3.37Å; W259-T263 WeakPolarHBondContact O-CB 3.45Å; W259-T263 PolarHBondContact O-N 3Å; W259-T263 PolarHBondContact O-OG1 2.93Å
260K85.4Confident82.9Confident69 Ų6951 Ų5130%0.327%0.269SS..Hα-helixtrans-59.9-44.4174.5-79.7177.7173.6-171.40111.7I256 K257 T263 I264I256-K260 HydrophobicContact CG2-CD 4.2Å; I256-K260 HydrophobicContact CG2-CG 4.39Å; I256-K260 WeakPolarHBondContact O-CB 3.24Å; I256-K260 VanDerWaalsContact O-CG 3.3Å; I256-K260 WeakPolarHBondContact O-CG 3.4Å; I256-K260 PolarHBondContact O-N 3.22Å; K257-K260 PolarHBondContact O-N 3.03Å; K260-T263 PolarHBondContact O-N 2.94Å; K260-I264 WeakPolarHBondContact O-CG1 3.3Å; K260-I264 PolarHBondContact O-N 2.8Å
261M83.4Confident80.9Confident45 Ų4554.7 Ų54.722%0.22230%0.295CS..Hα-helixtrans-59.1-48.4177.9-71167.4159.900111.2C171 L172 K257 S258 W259 T263 I264 A265C171-M261 WeakPolarHBondContact O-CE 3.33Å; L172-M261 HydrophobicContact CD2-CE 3.7Å; L172-M261 HydrophobicContact CD2-CG 4.05Å; K257-M261 HydrophobicContact CG-CE 4.28Å; K257-M261 HydrophobicContact CG-SD 4.42Å; K257-M261 WeakPolarHBondContact O-CG 3.49Å; K257-M261 PolarHBondContact O-N 3.11Å; S258-M261 WeakPolarHBondContact O-CB 3.33Å; S258-M261 PolarHBondContact O-N 2.88Å; W259-M261 VanDerWaalsContact C-N 3.34Å; W259-M261 PolarHBondContact O-N 3.18Å; M261-T263 VanDerWaalsContact C-N 3.33Å; M261-T263 PolarHBondContact O-N 2.97Å; M261-I264 PolarHBondContact O-N 3.45Å; M261-A265 PolarHBondContact O-N 3.39Å
262K83.8Confident78.7Confident49 Ų4956.6 Ų56.621%0.21331%0.313CS..Hα-helixtrans-62.2-39177-66.1176-174.4-170.30112.7V198 T201 S258 W259 A265 S266V198-K262 HydrophobicContact CG1-CB 3.58Å; V198-K262 HydrophobicContact CG1-CD 4.29Å; T201-K262 PolarHBondContact OG1-NZ 3.45Å; S258-K262 WeakPolarHBondContact O-CG 3.47Å; S258-K262 PolarHBondContact O-N 3.19Å; S258-K262 VanDerWaalsContact O-N 3.07Å; W259-K262 PolarHBondContact O-N 3.37Å; K262-A265 PolarHBondContact O-N 2.61Å; K262-S266 PolarHBondContact O-N 3.32Å
263T81.9Confident76.1Confident27 Ų2760.7 Ų60.717%0.16634%0.341CS..Hα-helixtrans-69.3-35.1179.3-540000112.7W259 K260 M261 S266 K267W259-T263 WeakPolarHBondContact O-CB 3.45Å; W259-T263 PolarHBondContact O-N 3Å; W259-T263 PolarHBondContact O-OG1 2.93Å; K260-T263 PolarHBondContact O-N 2.94Å; M261-T263 VanDerWaalsContact C-N 3.33Å; M261-T263 PolarHBondContact O-N 2.97Å; T263-S266 PolarHBondContact O-OG 3.32Å; T263-K267 WeakPolarHBondContact O-CG 3.34Å; T263-K267 PolarHBondContact O-N 3.1Å
264I79.2Confident73.3Confident46 Ų4664.1 Ų64.124%0.23637%0.366CS..Hα-helixtrans-70.3-44.6174.9-68.2166.5000109.8K260 M261 S266 K267 N268K260-I264 WeakPolarHBondContact O-CG1 3.3Å; K260-I264 PolarHBondContact O-N 2.8Å; M261-I264 PolarHBondContact O-N 3.45Å; I264-S266 VanDerWaalsContact C-N 3.34Å; I264-S266 PolarHBondContact O-N 3.12Å; I264-K267 PolarHBondContact O-N 3.37Å; I264-N268 PolarHBondContact O-N 3.41Å; I264-N268 VanDerWaalsContact O-N 3.11Å
265A76.3Confident70.6Confident11 Ų1172.2 Ų72.29%0.09140%0.402CS..Hα-helixtrans-58.2-44.5176.600000112M261 K262 K267 N268 S269M261-A265 PolarHBondContact O-N 3.39Å; K262-A265 PolarHBondContact O-N 2.61Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.04Å; A265-N268 PolarHBondContact O-N 3.28Å; A265-S269 PolarHBondContact O-N 2.74Å; A265-S269 VanDerWaalsContact O-N 3.1Å; A265-S269 PolarHBondContact O-OG 2.76Å
266S73.7Confident69.4Low30 Ų3075.2 Ų75.221%0.2142%0.419CS..Hα-helixtrans-64.9-33.9178.973.60000113.4K262 T263 I264 S269 C270K262-S266 PolarHBondContact O-N 3.32Å; T263-S266 PolarHBondContact O-OG 3.32Å; I264-S266 VanDerWaalsContact C-N 3.34Å; I264-S266 PolarHBondContact O-N 3.12Å; S266-S269 WeakPolarHBondContact CA-OG 3.22Å; S266-S269 PolarHBondContact O-OG 2.79Å; S266-C270 PolarHBondContact O-N 2.98Å; S266-C270 PolarHBondContact O-SG 3.49Å
267K71.1Confident68.1Low143 Ų14377.5 Ų77.562%0.62243%0.433SS*.Hα-helixtrans-69.5-40.7175.6-75.1-178.7178.7-1710112T263 I264 A265 C270 S271T263-K267 WeakPolarHBondContact O-CG 3.34Å; T263-K267 PolarHBondContact O-N 3.1Å; I264-K267 PolarHBondContact O-N 3.37Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.04Å; K267-C270 PolarHBondContact O-N 2.68Å; K267-S271 PolarHBondContact O-N 3.44Å; K267-S271 PolarHBondContact O-OG 2.69Å
268N67.3Low67Low84 Ų8474.5 Ų74.545%0.44943%0.425SS..Hα-helixtrans-69.7-31.9-179.7-67.7-15.6000112.6I264 A265 S271 S272I264-N268 PolarHBondContact O-N 3.41Å; I264-N268 VanDerWaalsContact O-N 3.11Å; A265-N268 PolarHBondContact O-N 3.28Å; N268-S271 PolarHBondContact O-OG 2.7Å; N268-S271 VanDerWaalsContact O-OG 3.13Å; N268-S272 PolarHBondContact O-N 3.06Å; N268-S272 PolarHBondContact O-OG 3.27Å
269S62.8Low65.8Low40 Ų4076 Ų7628%0.2843%0.43SS..Hα-helixtrans-69.1-33.8173.151.20000112.9A265 S266 S272 T273A265-S269 PolarHBondContact O-N 2.74Å; A265-S269 VanDerWaalsContact O-N 3.1Å; A265-S269 PolarHBondContact O-OG 2.76Å; S266-S269 WeakPolarHBondContact CA-OG 3.22Å; S266-S269 PolarHBondContact O-OG 2.79Å; S269-S272 PolarHBondContact O-OG 3.46Å; S269-S272 VanDerWaalsContact O-OG 3.07Å; S269-T273 PolarHBondContact O-OG1 3.48Å
270C53.6Low64.3Low83 Ų8377.3 Ų77.356%0.56144%0.444SS*.Hα-helixtrans-74.9-27.7176.9-67.80000113.1S266 K267 T273S266-C270 PolarHBondContact O-N 2.98Å; S266-C270 PolarHBondContact O-SG 3.49Å; K267-C270 PolarHBondContact O-N 2.68Å; C270-T273 PolarHBondContact O-OG1 2.93Å
271S53.2Low62.9Low79 Ų7977.9 Ų77.955%0.55245%0.453SS*.Hα-helixtrans-82.6-11.1177.657.70000114.1K267 N268K267-S271 PolarHBondContact O-N 3.44Å; K267-S271 PolarHBondContact O-OG 2.69Å; N268-S271 PolarHBondContact O-OG 2.7Å; N268-S271 VanDerWaalsContact O-OG 3.13Å
272S49.7Very low61.4Low88 Ų8880.2 Ų80.262%0.61547%0.47SS*.SBendtrans-91.9-10.9177.438.80000113.7N268 S269N268-S272 PolarHBondContact O-N 3.06Å; N268-S272 PolarHBondContact O-OG 3.27Å; S269-S272 PolarHBondContact O-OG 3.46Å; S269-S272 VanDerWaalsContact O-OG 3.07Å
273T38.9Very low59.7Low116 Ų11682.6 Ų82.671%0.71249%0.489SS*.SBendtrans-9810.4177.427.30000114.7S269 C270S269-T273 PolarHBondContact O-OG1 3.48Å; C270-T273 PolarHBondContact O-OG1 2.93Å
274S34.8Very low57.8Low90 Ų9087.3 Ų87.363%0.62952%0.516SS*.  trans-110.465172.668.60000111.8
275L33.7Very low55.9Low237 Ų23791 Ų91100%1.24154%0.542SS*.  trans-141.60159.9-77.4175.7000107.5

Retrieved 275 of 275 residues in 59.4 ms (Link to these results)

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