A0A060Y2S5_ONCMY Loading...

Hypoxanthine phosphoribosyltransferase

AlphaFold DB , UniProt , Accession A0A060Y2S5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530399, Length 226 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
1M35.9Very low32.1Very low247 Ų247139.4 Ų139.4100%1.21783%0.833SS**  095.90-66.1177.3-163.100104.7
2A32.1Very low33.7Very low101 Ų101138.6 Ų138.684%0.83581%0.811SS**  trans-96.1125.4-17700000107.1D4A2-D4 PolarHBondContact O-N 3.38Å
3D31.8Very low35.5Very low155 Ų155133.8 Ų133.883%0.82978%0.78SS**  trans-57.3123.4177.2-71.3-40.8000110.5L5D3-L5 PolarHBondContact O-N 3.17Å; D3-L5 VanDerWaalsContact O-N 3.11Å
4D31.6Very low38.4Very low157 Ų157128.1 Ų128.184%0.8476%0.764SS**  trans-75.995.7173.2-146.16.8000107.1A2 T6A2-D4 PolarHBondContact O-N 3.38Å; D4-T6 VanDerWaalsContact C-N 3.26Å; D4-T6 PolarHBondContact O-N 3.09Å
5L32.5Very low41.9Very low154 Ų154120.6 Ų120.681%0.80672%0.724SS**  trans-65.488.8172.2-91.5146.2000108.4D3 I7D3-L5 PolarHBondContact O-N 3.17Å; D3-L5 VanDerWaalsContact O-N 3.11Å; L5-I7 PolarHBondContact O-N 3.24Å
6T31.9Very low45.4Very low118 Ų118117.8 Ų117.872%0.72470%0.703SS**  trans-53.5103.7158.133.30000108.3D4 Q8D4-T6 VanDerWaalsContact C-N 3.26Å; D4-T6 PolarHBondContact O-N 3.09Å; T6-Q8 VanDerWaalsContact C-N 3.33Å; T6-Q8 PolarHBondContact O-N 2.79Å
7I33.1Very low48.4Very low149 Ų149115.6 Ų115.676%0.76469%0.69SS**  trans-64.2100.2166.3-60.9177.3000106L5 T9L5-I7 PolarHBondContact O-N 3.24Å; I7-T9 HydrophobicContact CG2-CG2 4.38Å; I7-T9 PolarHBondContact O-N 3.48Å
8Q26.6Very low51.1Low182 Ų182110.2 Ų110.285%0.8566%0.657SS**  trans-63.7100.7166.7-73.4-177.3-800108T6 G10T6-Q8 VanDerWaalsContact C-N 3.33Å; T6-Q8 PolarHBondContact O-N 2.79Å; Q8-G10 PolarHBondContact O-N 3.29Å
9T33.5Very low53.5Low115 Ų115109.8 Ų109.871%0.70665%0.652SS**  trans-75.5105.2166.1460000107.8I7 G11I7-T9 HydrophobicContact CG2-CG2 4.38Å; I7-T9 PolarHBondContact O-N 3.48Å; T9-G11 PolarHBondContact O-N 2.76Å; T9-G11 VanDerWaalsContact O-N 3.16Å
10G28.1Very low55.6Low72 Ų72109.6 Ų109.674%0.74265%0.647SS**  trans-52.4121.2171.800000110.8Q8 K12Q8-G10 PolarHBondContact O-N 3.29Å; G10-K12 PolarHBondContact O-N 3.16Å
11G35.8Very low57.5Low83 Ų83110.7 Ų110.786%0.85665%0.65SS**  trans11.379.5171.400000118.2T9T9-G11 PolarHBondContact O-N 2.76Å; T9-G11 VanDerWaalsContact O-N 3.16Å
12K51.8Low60.4Low130 Ų130102.9 Ų102.957%0.56561%0.607SS**  trans-95.4110.4153.1-73.6-172.2174.2-168.50107G10 G14G10-K12 PolarHBondContact O-N 3.16Å; K12-G14 PolarHBondContact O-N 3.12Å
13D57.3Low63.5Low76 Ų76102.7 Ų102.741%0.40660%0.598SS.*  trans-61.1112.9178.8-155.214.9000108.2R56 N60D13-R56 IonicContact OD1-NH2 2.78Å; D13-R56 IonicContact OD2-CZ 2.72Å; D13-R56 IonicContact OD2-NE 3.59Å; D13-R56 IonicContact OD2-NH2 2.87Å; D13-R56 PolarHBondContact OD2-NH2 3.46Å; D13-N60 PolarHBondContact OD2-ND2 3.43Å
14G76.1Confident66.7Low54 Ų5495.9 Ų95.956%0.55756%0.564SS**  trans-61145-173.800000111.9K12 R53K12-G14 PolarHBondContact O-N 3.12Å; G14-R53 PolarHBondContact O-NH2 3.49Å; G14-R53 VanDerWaalsContact O-NH2 3.16Å
15G90.5Very high69.9Low16 Ų1693 Ų9317%0.16554%0.542CS..  trans-63.5167.416800000112V17 V187G15-V17 PolarHBondContact O-N 2.96Å; G15-V187 WeakPolarHBondContact CA-O 3.45Å
16I97.2Very high73Confident76 Ų7688.5 Ų88.539%0.3952%0.523SS..EExtended strand (participates in β ladder)trans-70.8113.3168.1-65.1173.3000107.8I18 R53 G188 F189 E190I16-I18 PolarHBondContact O-N 2.87Å; I16-R53 HydrophobicContact CD1-CB 4.25Å; I16-R53 HydrophobicContact CD1-CG 4.16Å; I16-G188 PolarHBondContact N-O 3.27Å; I16-F189 HydrophobicContact CB-CD1 3.66Å; I16-F189 HydrophobicContact CB-CE1 4.01Å; I16-F189 HydrophobicContact CD1-CD1 4.25Å; I16-F189 HydrophobicContact CD1-CE1 3.68Å; I16-F189 HydrophobicContact CD1-CZ 4.31Å; I16-F189 HydrophobicContact CG1-CD1 4.47Å; I16-F189 HydrophobicContact CG1-CE1 4.38Å; I16-F189 HydrophobicContact CG2-CD1 3.92Å; I16-F189 HydrophobicContact CG2-CE1 4.2Å; I16-F189 CarbonylContact O-C 3.54Å; I16-F189 VanDerWaalsContact O-CA 3.26Å; I16-F189 WeakPolarHBondContact O-CA 3.38Å; I16-E190 PolarHBondContact O-N 2.71Å
17V97Very high76.1Confident80 Ų8083.9 Ų83.949%0.48549%0.494SS..EExtended strand (participates in β ladder)trans-81.9117.9178.8-176.30000109.4G15 E190G15-V17 PolarHBondContact O-N 2.96Å; V17-E190 HydrophobicContact CG2-CB 4.34Å
18I97.3Very high79.2Confident19 Ų1985.5 Ų85.510%0.09750%0.499CS..PPolyproline II helixtrans-93.4121.3171.5-61.7-172.8000107.7I16 W22 Y44 I45 R175 F189 E190 I191I16-I18 PolarHBondContact O-N 2.87Å; I18-W22 HydrophobicContact CG2-CB 3.56Å; I18-W22 HydrophobicContact CG2-CG 3.53Å; I18-Y44 HydrophobicContact CD1-CD1 4.48Å; I18-Y44 HydrophobicContact CD1-CE1 4.19Å; I18-Y44 HydrophobicContact CG2-CE1 4.04Å; I18-Y44 WeakPolarHBondContact CG2-OH 3.47Å; I18-I45 HydrophobicContact CD1-CD1 3.68Å; I18-I45 HydrophobicContact CD1-CG1 3.67Å; I18-R175 PolarHBondContact O-NH1 3.14Å; I18-R175 PolarHBondContact O-NH2 3.49Å; I18-F189 HydrophobicContact CD1-CD1 4.36Å; I18-E190 PolarHBondContact N-O 2.83Å; I18-I191 HydrophobicContact CD1-CG2 4Å; I18-I191 HydrophobicContact CG1-CG2 4.47Å
19N96.5Very high82.6Confident102 Ų10283 Ų8355%0.54549%0.49SS..PPolyproline II helixtrans-67.9158.5-177.6-64.7-26.2000112.9D21 W22 P192N19-D21 VanDerWaalsContact C-N 3.25Å; N19-D21 WeakPolarHBondContact CB-OD1 3.44Å; N19-D21 PolarHBondContact O-N 3.41Å; N19-W22 WeakPolarHBondContact O-CB 3.4Å; N19-W22 PolarHBondContact O-N 3.18Å; N19-W22 VanDerWaalsContact O-N 3.15Å; N19-P192 WeakPolarHBondContact O-CG 3.39Å
20D94.8Very high85.7Confident106 Ų10680.2 Ų80.257%0.56747%0.469SS*.THydrogen-bonded Turntrans-65.7-27.1-178.3-68.7-9.8000113.6W22 R175D20-W22 VanDerWaalsContact C-N 3.34Å; D20-R175 IonicContact OD1-CZ 3.58Å; D20-R175 IonicContact OD1-NE 3.55Å; D20-R175 PolarHBondContact OD1-NE 3.32Å; D20-R175 IonicContact OD1-NH2 2.73Å; D20-R175 PolarHBondContact OD1-NH2 2.92Å
21D95.8Very high89Confident133 Ų13384.1 Ų84.171%0.71147%0.472SS*.THydrogen-bonded Turntrans-88.21.5177.566.7-22.1000113.5N19 P23N19-D21 VanDerWaalsContact C-N 3.25Å; N19-D21 WeakPolarHBondContact CB-OD1 3.44Å; N19-D21 PolarHBondContact O-N 3.41Å; D21-P23 VanDerWaalsContact O-CD 3.26Å; D21-P23 WeakPolarHBondContact O-CD 3.43Å
22W97.6Very high92Very high82 Ų8283.1 Ų83.131%0.31144%0.443SS..  trans-62116.1178.5175.6-118.6000111.2I18 N19 D20 G24 Y25 Y44I18-W22 HydrophobicContact CG2-CB 3.56Å; I18-W22 HydrophobicContact CG2-CG 3.53Å; N19-W22 WeakPolarHBondContact O-CB 3.4Å; N19-W22 PolarHBondContact O-N 3.18Å; N19-W22 VanDerWaalsContact O-N 3.15Å; D20-W22 VanDerWaalsContact C-N 3.34Å; W22-G24 VanDerWaalsContact C-N 3.29Å; W22-G24 PolarHBondContact O-N 3.41Å; W22-Y25 HydrophobicContact CH2-CE1 4.01Å; W22-Y25 AromaticContact CH2-CE2 3.96Å; W22-Y25 HydrophobicContact CH2-CE2 3.96Å; W22-Y25 AromaticContact CH2-CZ 3.63Å; W22-Y25 AromaticContact CZ2-CD2 3.93Å; W22-Y25 HydrophobicContact CZ2-CD2 3.93Å; W22-Y25 HydrophobicContact CZ2-CE1 4.3Å; W22-Y25 AromaticContact CZ2-CE2 3.44Å; W22-Y25 HydrophobicContact CZ2-CE2 3.44Å; W22-Y25 VanDerWaalsContact CZ2-CE2 3.44Å; W22-Y25 AromaticContact CZ2-CZ 3.64Å; W22-Y44 AromaticContact CD1-CD2 3.91Å; W22-Y44 AromaticContact CD1-CE2 3.41Å; W22-Y44 VanDerWaalsContact CD1-CE2 3.41Å; W22-Y44 AromaticContact CD1-CZ 3.66Å; W22-Y44 HydrophobicContact CG-CE2 4.41Å; W22-Y44 PolarHBondContact NE1-O 3Å
23P96.9Very high94.2Very high98 Ų9878.5 Ų78.564%0.63643%0.426SS*.  trans-78.1-13.4-175.431-35.6000113.5D21 C42D21-P23 VanDerWaalsContact O-CD 3.26Å; D21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-C42 PolarHBondContact O-SG 2.81Å
24G98Very high96.1Very high12 Ų1284 Ų8412%0.12445%0.446CS..  trans71.7-172.6-163.400000112.2W22 V43W22-G24 VanDerWaalsContact C-N 3.29Å; W22-G24 PolarHBondContact O-N 3.41Å; G24-V43 CarbonylContact C-O 3.58Å; G24-V43 WeakPolarHBondContact CA-O 3.37Å
25Y98.7Very high97.1Very high97 Ų9786.1 Ų86.138%0.3844%0.442SS..BIsolated β-bridgetrans-106.6150.1177-55.1-88.6000111.6W22 L27 F30 C42 V43 P46W22-Y25 HydrophobicContact CH2-CE1 4.01Å; W22-Y25 AromaticContact CH2-CE2 3.96Å; W22-Y25 HydrophobicContact CH2-CE2 3.96Å; W22-Y25 AromaticContact CH2-CZ 3.63Å; W22-Y25 AromaticContact CZ2-CD2 3.93Å; W22-Y25 HydrophobicContact CZ2-CD2 3.93Å; W22-Y25 HydrophobicContact CZ2-CE1 4.3Å; W22-Y25 AromaticContact CZ2-CE2 3.44Å; W22-Y25 HydrophobicContact CZ2-CE2 3.44Å; W22-Y25 VanDerWaalsContact CZ2-CE2 3.44Å; W22-Y25 AromaticContact CZ2-CZ 3.64Å; Y25-L27 PolarHBondContact O-N 2.92Å; Y25-F30 VanDerWaalsContact CB-CE2 3.5Å; Y25-F30 HydrophobicContact CD1-CE2 4.49Å; Y25-F30 HydrophobicContact CD2-CZ 4.39Å; Y25-F30 AromaticContact CG-CE2 3.96Å; Y25-F30 HydrophobicContact CG-CE2 3.96Å; Y25-F30 HydrophobicContact CG-CZ 4.14Å; Y25-C42 WeakPolarHBondContact O-CB 3.5Å; Y25-V43 PolarHBondContact N-O 3.05Å; Y25-V43 PolarHBondContact O-N 3.41Å; Y25-P46 HydrophobicContact CD2-CG 3.77Å; Y25-P46 HydrophobicContact CE2-CG 3.57Å
26S98.4Very high97.5Very high58 Ų5885.7 Ų85.741%0.40644%0.435SS..  trans-59.2133.5171176.20000110.9E28 L29 F30S26-E28 PolarHBondContact O-N 2.93Å; S26-E28 PolarHBondContact OG-N 3.21Å; S26-L29 PolarHBondContact O-N 3.36Å; S26-F30 WeakPolarHBondContact O-CD2 3.39Å
27L98.1Very high97.5Very high21 Ų2185.9 Ų85.911%0.1144%0.444CS..G310 helixtrans-60.2-29.4176.2-71.8158.9000112.4Y25 L29 F30 Y32 L40 V43Y25-L27 PolarHBondContact O-N 2.92Å; L27-L29 PolarHBondContact O-N 3.01Å; L27-F30 PolarHBondContact O-N 3.3Å; L27-F30 VanDerWaalsContact O-N 3.12Å; L27-F30 VanDerWaalsContact O-O 3.11Å; L27-Y32 HydrophobicContact CB-CD1 4.47Å; L27-Y32 HydrophobicContact CB-CE1 3.77Å; L27-Y32 HydrophobicContact CD2-CD1 4.27Å; L27-Y32 HydrophobicContact CD2-CE1 4.18Å; L27-L40 HydrophobicContact CD1-CB 3.77Å; L27-L40 WeakPolarHBondContact CD1-O 3.43Å; L27-L40 HydrophobicContact CD2-CB 4Å; L27-L40 HydrophobicContact CD2-CD1 4.02Å; L27-V43 HydrophobicContact CD2-CG2 3.81Å
28E97.3Very high97.5Very high184 Ų18484.3 Ų84.386%0.8644%0.443SS*.G310 helixtrans-65.9-18.5-179-60.6-175.9160.100113.3S26 F30S26-E28 PolarHBondContact O-N 2.93Å; S26-E28 PolarHBondContact OG-N 3.21Å; E28-F30 VanDerWaalsContact C-N 3.3Å
29L98.3Very high97.6Very high130 Ų13083.8 Ų83.868%0.68144%0.441SS*.G310 helixtrans-85.5-4.1178.9-59.2175.1000112.7S26 L27S26-L29 PolarHBondContact O-N 3.36Å; L27-L29 PolarHBondContact O-N 3.01Å
30F98.5Very high97.7Very high56 Ų5679.4 Ų79.425%0.24642%0.417CS..SBendtrans-131.9156.1-173-65.8-92.5000112.1Y25 S26 L27 E28 V43 P46 H212Y25-F30 VanDerWaalsContact CB-CE2 3.5Å; Y25-F30 HydrophobicContact CD1-CE2 4.49Å; Y25-F30 HydrophobicContact CD2-CZ 4.39Å; Y25-F30 AromaticContact CG-CE2 3.96Å; Y25-F30 HydrophobicContact CG-CE2 3.96Å; Y25-F30 HydrophobicContact CG-CZ 4.14Å; S26-F30 WeakPolarHBondContact O-CD2 3.39Å; L27-F30 PolarHBondContact O-N 3.3Å; L27-F30 VanDerWaalsContact O-N 3.12Å; L27-F30 VanDerWaalsContact O-O 3.11Å; E28-F30 VanDerWaalsContact C-N 3.3Å; F30-V43 HydrophobicContact CB-CG2 4.18Å; F30-V43 HydrophobicContact CD2-CB 4.25Å; F30-V43 HydrophobicContact CD2-CG1 4.49Å; F30-V43 HydrophobicContact CD2-CG2 3.88Å; F30-V43 HydrophobicContact CE2-CB 4.46Å; F30-V43 HydrophobicContact CG-CG2 4.05Å; F30-P46 HydrophobicContact CE1-CB 3.9Å; F30-P46 HydrophobicContact CE1-CG 4.02Å; F30-P46 HydrophobicContact CZ-CB 4.4Å; F30-P46 HydrophobicContact CZ-CG 4Å; F30-H212 AromaticContact CD1-NE2 3.66Å; F30-H212 AromaticContact CG-NE2 3.99Å
31N97.9Very high97.8Very high153 Ų15380.1 Ų80.182%0.81842%0.417SS*.  trans-87.8125.7169.3-69.1-48.7000109.6H212N31-H212 PolarHBondContact O-NE2 3.32Å
32Y97.9Very high98Very high62 Ų6274.2 Ų74.224%0.24339%0.386CS..  trans-145.5162.4173.969.3-81.7000110.7L27 K34 L40L27-Y32 HydrophobicContact CB-CD1 4.47Å; L27-Y32 HydrophobicContact CB-CE1 3.77Å; L27-Y32 HydrophobicContact CD2-CD1 4.27Å; L27-Y32 HydrophobicContact CD2-CE1 4.18Å; Y32-K34 PolarHBondContact O-N 3.27Å; Y32-L40 HydrophobicContact CD2-CD1 4.09Å; Y32-L40 HydrophobicContact CE2-CD1 4.38Å
33P98Very high98Very high33 Ų3370.3 Ų70.321%0.21437%0.371CS..  trans-61.2125.5-177.4-2233000112.4H35 Y36 L210P33-H35 WeakPolarHBondContact CB-CE1 3.27Å; P33-H35 PolarHBondContact O-N 3.45Å; P33-H35 VanDerWaalsContact O-N 3.13Å; P33-Y36 HydrophobicContact CB-CD2 3.99Å; P33-Y36 HydrophobicContact CB-CE2 4.42Å; P33-Y36 HydrophobicContact CG-CD2 4.17Å; P33-Y36 HydrophobicContact CG-CE2 4.44Å; P33-Y36 PolarHBondContact O-N 3.38Å; P33-L210 HydrophobicContact CG-CD1 4.47Å
34K97.2Very high98.1Very high191 Ų19166 Ų6683%0.8334%0.342SS*.G310 helixtrans-59.7-27.2-175.1-70.9-173.2177.1-177.60113.8Y32 Y36 S37Y32-K34 PolarHBondContact O-N 3.27Å; K34-Y36 PolarHBondContact O-N 3.37Å; K34-S37 VanDerWaalsContact O-CB 3.23Å; K34-S37 WeakPolarHBondContact O-CB 3.42Å; K34-S37 PolarHBondContact O-N 2.89Å
35H97.8Very high98.2Very high99 Ų9965.6 Ų65.646%0.45834%0.337SS..G310 helixtrans-68.1-11.6178.360.5-91.5000113.9P33 D209P33-H35 WeakPolarHBondContact CB-CE1 3.27Å; P33-H35 PolarHBondContact O-N 3.45Å; P33-H35 VanDerWaalsContact O-N 3.13Å; H35-D209 IonicContact CE1-OD2 3.15Å; H35-D209 PolarHBondContact CE1-OD2 2.87Å; H35-D209 IonicContact NE2-OD2 2.76Å; H35-D209 PolarHBondContact NE2-OD2 3.43Å
36Y98.5Very high98.2Very high8 Ų861.7 Ų61.73%0.03132%0.324CS..G310 helixtrans-98.38.4171.4-62.2-43.7000114P33 K34 G38 D39 F207 D209 L210P33-Y36 HydrophobicContact CB-CD2 3.99Å; P33-Y36 HydrophobicContact CB-CE2 4.42Å; P33-Y36 HydrophobicContact CG-CD2 4.17Å; P33-Y36 HydrophobicContact CG-CE2 4.44Å; P33-Y36 PolarHBondContact O-N 3.38Å; K34-Y36 PolarHBondContact O-N 3.37Å; Y36-G38 PolarHBondContact O-N 2.98Å; Y36-D39 WeakPolarHBondContact O-CB 3.16Å; Y36-D39 PolarHBondContact O-N 3.45Å; Y36-F207 AromaticContact CD1-CD1 3.47Å; Y36-F207 HydrophobicContact CD1-CD1 3.47Å; Y36-F207 VanDerWaalsContact CD1-CD1 3.47Å; Y36-F207 AromaticContact CD1-CE1 3.26Å; Y36-F207 HydrophobicContact CD1-CE1 3.26Å; Y36-F207 HydrophobicContact CD1-CZ 4.16Å; Y36-F207 AromaticContact CD2-CD1 3.96Å; Y36-F207 HydrophobicContact CD2-CD1 3.96Å; Y36-F207 HydrophobicContact CD2-CE1 4.45Å; Y36-F207 AromaticContact CE1-CD1 3.49Å; Y36-F207 HydrophobicContact CE1-CD1 3.49Å; Y36-F207 VanDerWaalsContact CE1-CD1 3.49Å; Y36-F207 AromaticContact CE1-CE1 3.6Å; Y36-F207 HydrophobicContact CE1-CE1 3.6Å; Y36-F207 HydrophobicContact CE1-CG 4.12Å; Y36-F207 HydrophobicContact CE1-CZ 4.3Å; Y36-F207 AromaticContact CE2-CD1 3.97Å; Y36-F207 HydrophobicContact CE2-CD1 3.97Å; Y36-F207 AromaticContact CG-CD1 3.73Å; Y36-F207 HydrophobicContact CG-CD1 3.73Å; Y36-F207 AromaticContact CG-CE1 3.76Å; Y36-F207 HydrophobicContact CG-CE1 3.76Å; Y36-F207 AromaticContact CZ-CD1 3.75Å; Y36-F207 WeakPolarHBondContact OH-CA 3.33Å; Y36-F207 PolarHBondContact OH-N 3.14Å; Y36-D209 VanDerWaalsContact CE2-OD1 3.31Å; Y36-D209 WeakPolarHBondContact CE2-OD1 3.11Å; Y36-D209 PolarHBondContact OH-OD1 3.26Å; Y36-L210 HydrophobicContact CE2-CB 4.46Å
37S96.9Very high98.2Very high80 Ų8061.7 Ų61.756%0.55932%0.317SS*.THydrogen-bonded Turntrans-62.8125.5175.5-172.40000110.9K34 D39K34-S37 VanDerWaalsContact O-CB 3.23Å; K34-S37 WeakPolarHBondContact O-CB 3.42Å; K34-S37 PolarHBondContact O-N 2.89Å; S37-D39 VanDerWaalsContact C-N 3.27Å
38G97.4Very high98.2Very high46 Ų4662.5 Ų62.547%0.47433%0.331SS..THydrogen-bonded Turntrans81.9-1.3-175.200000114.7Y36 S217 S219Y36-G38 PolarHBondContact O-N 2.98Å; G38-S217 PolarHBondContact O-OG 3.38Å; G38-S219 PolarHBondContact O-OG 2.97Å
39D98.6Very high98.3Very high9 Ų956.6 Ų56.65%0.04831%0.307CS..THydrogen-bonded Turntrans-100.6-11.4178.2-57.6-35.8000112.7Y36 S37 F207 I216 S217 K223 Y224Y36-D39 WeakPolarHBondContact O-CB 3.16Å; Y36-D39 PolarHBondContact O-N 3.45Å; S37-D39 VanDerWaalsContact C-N 3.27Å; D39-F207 HydrophobicContact CB-CE1 4.03Å; D39-F207 HydrophobicContact CB-CZ 4.1Å; D39-I216 WeakPolarHBondContact O-CG1 3.35Å; D39-S217 WeakPolarHBondContact CA-OG 3.48Å; D39-S217 WeakPolarHBondContact O-CB 3.26Å; D39-S217 PolarHBondContact O-N 3.46Å; D39-S217 PolarHBondContact O-OG 2.87Å; D39-K223 VanDerWaalsContact CG-NZ 3.34Å; D39-K223 VanDerWaalsContact OD1-CD 3.23Å; D39-K223 WeakPolarHBondContact OD1-CD 3.23Å; D39-K223 IonicContact OD1-NZ 3.36Å; D39-K223 PolarHBondContact OD1-NZ 2.8Å; D39-K223 IonicContact OD2-NZ 3.23Å; D39-K223 PolarHBondContact OD2-NZ 3.16Å; D39-Y224 HydrophobicContact CB-CE2 4.18Å; D39-Y224 PolarHBondContact OD2-OH 2.8Å; D39-Y224 VanDerWaalsContact OD2-OH 3.14Å
40L98.6Very high98.3Very high10 Ų1050.4 Ų50.45%0.05228%0.275CS..EExtended strand (participates in β ladder)trans-115.7145.1-178.1-57174.1000110.6L27 Y32 V197 F207 L210 C214L27-L40 HydrophobicContact CD1-CB 3.77Å; L27-L40 WeakPolarHBondContact CD1-O 3.43Å; L27-L40 HydrophobicContact CD2-CB 4Å; L27-L40 HydrophobicContact CD2-CD1 4.02Å; Y32-L40 HydrophobicContact CD2-CD1 4.09Å; Y32-L40 HydrophobicContact CE2-CD1 4.38Å; L40-V197 HydrophobicContact CD2-CG2 3.77Å; L40-F207 HydrophobicContact CD2-CD1 4.02Å; L40-F207 HydrophobicContact CD2-CE1 3.85Å; L40-L210 HydrophobicContact CD1-CD1 4.31Å; L40-L210 HydrophobicContact CD1-CD2 3.78Å; L40-L210 HydrophobicContact CD2-CD2 4.19Å; L40-C214 HydrophobicContact CD1-CB 4.21Å; L40-C214 HydrophobicContact CD2-CB 3.94Å; L40-C214 HydrophobicContact CG-CB 4.46Å
41E98.3Very high98.3Very high120 Ų12049.1 Ų49.156%0.56127%0.27SS*.EExtended strand (participates in β ladder)trans-87.5-49.2176.4-176.7-179.9168.500111.3V215E41-V215 HydrophobicContact CB-CB 4.25Å; E41-V215 HydrophobicContact CB-CG1 4.24Å; E41-V215 PolarHBondContact N-O 3.36Å; E41-V215 WeakPolarHBondContact OE2-CG1 3.49Å
42C98.6Very high98.4Very high10 Ų1047.1 Ų47.17%0.06826%0.259CS..EExtended strand (participates in β ladder)trans-156.7162.3-179.9680000112P23 Y25 Y44 C214 V215P23-C42 PolarHBondContact O-SG 2.81Å; Y25-C42 WeakPolarHBondContact O-CB 3.5Å; C42-Y44 PolarHBondContact O-N 2.92Å; C42-C214 VanDerWaalsContact O-CA 3.24Å; C42-C214 WeakPolarHBondContact O-CA 3.41Å; C42-C214 WeakPolarHBondContact O-CB 3.32Å; C42-V215 PolarHBondContact O-N 2.78Å; C42-V215 VanDerWaalsContact O-N 3.14Å
43V98.8Very high98.4Very high0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-77.5113162.7174.70000108G24 Y25 L27 F30 P46 H212G24-V43 CarbonylContact C-O 3.58Å; G24-V43 WeakPolarHBondContact CA-O 3.37Å; Y25-V43 PolarHBondContact N-O 3.05Å; Y25-V43 PolarHBondContact O-N 3.41Å; L27-V43 HydrophobicContact CD2-CG2 3.81Å; F30-V43 HydrophobicContact CB-CG2 4.18Å; F30-V43 HydrophobicContact CD2-CB 4.25Å; F30-V43 HydrophobicContact CD2-CG1 4.49Å; F30-V43 HydrophobicContact CD2-CG2 3.88Å; F30-V43 HydrophobicContact CE2-CB 4.46Å; F30-V43 HydrophobicContact CG-CG2 4.05Å; V43-P46 HydrophobicContact CG1-CB 4.48Å; V43-P46 HydrophobicContact CG1-CG 4.08Å; V43-H212 HydrophobicContact CG1-CB 3.99Å
44Y98.6Very high98.4Very high6 Ų643.6 Ų43.62%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-86.8-46.8-174.5-154.8-115.9000112.2I18 W22 C42 I191 P192 V196 I213 V215I18-Y44 HydrophobicContact CD1-CD1 4.48Å; I18-Y44 HydrophobicContact CD1-CE1 4.19Å; I18-Y44 HydrophobicContact CG2-CE1 4.04Å; I18-Y44 WeakPolarHBondContact CG2-OH 3.47Å; W22-Y44 AromaticContact CD1-CD2 3.91Å; W22-Y44 AromaticContact CD1-CE2 3.41Å; W22-Y44 VanDerWaalsContact CD1-CE2 3.41Å; W22-Y44 AromaticContact CD1-CZ 3.66Å; W22-Y44 HydrophobicContact CG-CE2 4.41Å; W22-Y44 PolarHBondContact NE1-O 3Å; C42-Y44 PolarHBondContact O-N 2.92Å; Y44-I191 HydrophobicContact CE1-CB 4.19Å; Y44-I191 HydrophobicContact CE1-CG2 4.16Å; Y44-P192 WeakPolarHBondContact OH-CD 3.32Å; Y44-P192 VanDerWaalsContact OH-CG 3.22Å; Y44-P192 WeakPolarHBondContact OH-CG 3.38Å; Y44-V196 HydrophobicContact CD1-CG1 4.23Å; Y44-I213 WeakPolarHBondContact CA-O 3.47Å; Y44-I213 WeakPolarHBondContact CB-O 3.21Å; Y44-I213 PolarHBondContact N-O 3.34Å; Y44-V215 HydrophobicContact CD2-CG2 3.61Å; Y44-V215 HydrophobicContact CE2-CG2 4.21Å; Y44-V215 HydrophobicContact CG-CG2 3.91Å
45I98.8Very high98.5Very high4 Ų437.2 Ų37.22%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-133.7112174.1-46178.9000108.2I18 V49 I50 L172 F189 I191 I213I18-I45 HydrophobicContact CD1-CD1 3.68Å; I18-I45 HydrophobicContact CD1-CG1 3.67Å; I45-V49 HydrophobicContact CG2-CB 4.28Å; I45-V49 HydrophobicContact CG2-CG1 4.24Å; I45-I50 HydrophobicContact CB-CG1 4.37Å; I45-I50 HydrophobicContact CG2-CD1 4.42Å; I45-I50 HydrophobicContact CG2-CG1 3.7Å; I45-L172 HydrophobicContact CD1-CD2 3.71Å; I45-F189 HydrophobicContact CD1-CB 4.03Å; I45-F189 HydrophobicContact CD1-CD1 4.01Å; I45-F189 HydrophobicContact CD1-CD2 4.04Å; I45-F189 HydrophobicContact CD1-CG 3.76Å; I45-F189 HydrophobicContact CG2-CD1 4.43Å; I45-F189 HydrophobicContact CG2-CE1 3.95Å; I45-F189 HydrophobicContact CG2-CE2 4.29Å; I45-F189 HydrophobicContact CG2-CZ 3.88Å; I45-I191 HydrophobicContact CD1-CG2 4.27Å; I45-I213 HydrophobicContact CB-CB 4.11Å; I45-I213 HydrophobicContact CB-CD1 4.44Å; I45-I213 HydrophobicContact CD1-CD1 4.26Å; I45-I213 HydrophobicContact CG1-CB 4.46Å; I45-I213 PolarHBondContact N-O 3.02Å; I45-I213 PolarHBondContact O-N 3.49Å; I45-I213 VanDerWaalsContact O-N 3.09Å
46P98.8Very high98.5Very high15 Ų1538.3 Ų38.310%0.09722%0.215CC..  trans-61.8147176.9-2434.1000112.1Y25 F30 V43 G48 V49 I50Y25-P46 HydrophobicContact CD2-CG 3.77Å; Y25-P46 HydrophobicContact CE2-CG 3.57Å; F30-P46 HydrophobicContact CE1-CB 3.9Å; F30-P46 HydrophobicContact CE1-CG 4.02Å; F30-P46 HydrophobicContact CZ-CB 4.4Å; F30-P46 HydrophobicContact CZ-CG 4Å; V43-P46 HydrophobicContact CG1-CB 4.48Å; V43-P46 HydrophobicContact CG1-CG 4.08Å; P46-G48 VanDerWaalsContact C-N 3.3Å; P46-G48 PolarHBondContact O-N 3.24Å; P46-V49 HydrophobicContact CB-CG2 4.19Å; P46-V49 HydrophobicContact CG-CG2 4.29Å; P46-V49 WeakPolarHBondContact O-CB 3.37Å; P46-V49 PolarHBondContact O-N 3.35Å; P46-I50 PolarHBondContact O-N 3.5Å
47H98.9Very high98.4Very high58 Ų5837.9 Ų37.927%0.26921%0.213SC..Hα-helixtrans-55.5-43.3-177.6174.2-101.5000112.5V49 I50 M51 Y199 N211 H212H47-V49 VanDerWaalsContact C-N 3.3Å; H47-V49 PolarHBondContact O-N 3.39Å; H47-I50 WeakPolarHBondContact O-CB 3.34Å; H47-I50 PolarHBondContact O-N 3.24Å; H47-I50 VanDerWaalsContact O-N 3.13Å; H47-M51 WeakPolarHBondContact O-CG 3.48Å; H47-M51 PolarHBondContact O-N 3.45Å; H47-Y199 AromaticContact CD2-CE2 3.95Å; H47-N211 HydrophobicContact CB-CB 4.23Å; H47-H212 WeakPolarHBondContact CB-ND1 3.48Å; H47-H212 PolarHBondContact N-ND1 2.73Å; H47-H212 VanDerWaalsContact N-ND1 3.11Å
48G98.7Very high98.4Very high39 Ų3934.1 Ų34.140%0.40219%0.186SC..Hα-helixtrans-58.4-40.7177.800000113.2P46 I50 M51 D52P46-G48 VanDerWaalsContact C-N 3.3Å; P46-G48 PolarHBondContact O-N 3.24Å; G48-I50 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 3.2Å; G48-M51 WeakPolarHBondContact O-CB 3.45Å; G48-M51 PolarHBondContact O-N 3.13Å; G48-M51 VanDerWaalsContact O-N 3.13Å; G48-D52 PolarHBondContact O-N 3.31Å
49V98.8Very high98.3Very high59 Ų5938.4 Ų38.436%0.35819%0.188SC..Hα-helixtrans-66.3-35.8178.5-1790000111.2I45 P46 H47 M51 D52 R53 F189I45-V49 HydrophobicContact CG2-CB 4.28Å; I45-V49 HydrophobicContact CG2-CG1 4.24Å; P46-V49 HydrophobicContact CB-CG2 4.19Å; P46-V49 HydrophobicContact CG-CG2 4.29Å; P46-V49 WeakPolarHBondContact O-CB 3.37Å; P46-V49 PolarHBondContact O-N 3.35Å; H47-V49 VanDerWaalsContact C-N 3.3Å; H47-V49 PolarHBondContact O-N 3.39Å; V49-M51 VanDerWaalsContact C-N 3.34Å; V49-D52 PolarHBondContact O-N 2.98Å; V49-R53 WeakPolarHBondContact O-CB 3.32Å; V49-R53 PolarHBondContact O-N 2.99Å; V49-F189 HydrophobicContact CG1-CE1 3.91Å; V49-F189 HydrophobicContact CG1-CZ 3.98Å
50I98.8Very high98.2Very high0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-62.2-44.7173.2-59168.3000110I45 P46 H47 G48 R53 T54 L171 F189 Y199 I213I45-I50 HydrophobicContact CB-CG1 4.37Å; I45-I50 HydrophobicContact CG2-CD1 4.42Å; I45-I50 HydrophobicContact CG2-CG1 3.7Å; P46-I50 PolarHBondContact O-N 3.5Å; H47-I50 WeakPolarHBondContact O-CB 3.34Å; H47-I50 PolarHBondContact O-N 3.24Å; H47-I50 VanDerWaalsContact O-N 3.13Å; G48-I50 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 3.2Å; I50-R53 PolarHBondContact O-N 3.3Å; I50-T54 VanDerWaalsContact O-CB 3.27Å; I50-T54 WeakPolarHBondContact O-CB 3.32Å; I50-T54 PolarHBondContact O-N 3.43Å; I50-T54 PolarHBondContact O-OG1 3.38Å; I50-L171 HydrophobicContact CG2-CD1 4.01Å; I50-L171 HydrophobicContact CG2-CD2 4.25Å; I50-F189 HydrophobicContact CG1-CE2 4.46Å; I50-Y199 HydrophobicContact CD1-CD1 4.39Å; I50-Y199 HydrophobicContact CD1-CD2 4.16Å; I50-Y199 HydrophobicContact CD1-CG 4Å; I50-Y199 HydrophobicContact CG2-CD1 4.15Å; I50-Y199 HydrophobicContact CG2-CD2 4.47Å; I50-Y199 HydrophobicContact CG2-CE1 3.64Å; I50-Y199 HydrophobicContact CG2-CE2 4.02Å; I50-I213 HydrophobicContact CD1-CB 4.44Å; I50-I213 HydrophobicContact CD1-CD1 3.45Å; I50-I213 VanDerWaalsContact CD1-CD1 3.45Å; I50-I213 HydrophobicContact CD1-CG1 3.66Å; I50-I213 HydrophobicContact CG1-CD1 4.13Å
51M98.8Very high98.1Very high29 Ų2938.8 Ų38.814%0.14319%0.19CC..Hα-helixtrans-63.2-44.4179.4-63.1-52.7-68.400112H47 G48 V49 T54 E55 D85H47-M51 WeakPolarHBondContact O-CG 3.48Å; H47-M51 PolarHBondContact O-N 3.45Å; G48-M51 WeakPolarHBondContact O-CB 3.45Å; G48-M51 PolarHBondContact O-N 3.13Å; G48-M51 VanDerWaalsContact O-N 3.13Å; V49-M51 VanDerWaalsContact C-N 3.34Å; M51-T54 PolarHBondContact O-N 2.9Å; M51-E55 PolarHBondContact O-N 3.21Å; M51-D85 HydrophobicContact CE-CB 4.06Å; M51-D85 HydrophobicContact SD-CB 4.25Å
52D98.8Very high97.9Very high111 Ų11133.6 Ų33.659%0.59417%0.167SC*.Hα-helixtrans-63.1-44.6177.8-66.9-20.3000111.2G48 V49 T54 E55 R56G48-D52 PolarHBondContact O-N 3.31Å; V49-D52 PolarHBondContact O-N 2.98Å; D52-T54 PolarHBondContact O-N 3.47Å; D52-E55 PolarHBondContact O-N 2.99Å; D52-R56 PolarHBondContact O-N 3.26Å
53R98.4Very high97.6Very high21 Ų2135.9 Ų35.98%0.07919%0.192CC..Hα-helixtrans-65.1-41.8177.3-178.753.7-178.4166.52.4111.4G14 I16 V49 I50 E55 R56 L57 V187 G188 F189G14-R53 PolarHBondContact O-NH2 3.49Å; G14-R53 VanDerWaalsContact O-NH2 3.16Å; I16-R53 HydrophobicContact CD1-CB 4.25Å; I16-R53 HydrophobicContact CD1-CG 4.16Å; V49-R53 WeakPolarHBondContact O-CB 3.32Å; V49-R53 PolarHBondContact O-N 2.99Å; I50-R53 PolarHBondContact O-N 3.3Å; R53-E55 VanDerWaalsContact C-N 3.28Å; R53-E55 PolarHBondContact O-N 3.3Å; R53-R56 PolarHBondContact O-N 3.48Å; R53-R56 VanDerWaalsContact O-N 3.13Å; R53-L57 WeakPolarHBondContact O-CG 3.26Å; R53-L57 PolarHBondContact O-N 2.96Å; R53-V187 PolarHBondContact NE-O 2.97Å; R53-V187 PolarHBondContact NH2-O 2.76Å; R53-G188 PolarHBondContact NE-O 3.04Å; R53-F189 HydrophobicContact CB-CE1 4.36Å; R53-F189 HydrophobicContact CB-CE2 3.81Å; R53-F189 HydrophobicContact CB-CZ 3.5Å; R53-F189 VanDerWaalsContact CB-CZ 3.5Å; R53-F189 HydrophobicContact CG-CD2 4.45Å; R53-F189 HydrophobicContact CG-CE1 4.46Å; R53-F189 HydrophobicContact CG-CE2 3.82Å; R53-F189 HydrophobicContact CG-CZ 3.82Å
54T98.6Very high97.3Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-61.8-37.1178.5-60.40000111.6I50 M51 D52 L57 A58 F82 D85 L86 R89I50-T54 VanDerWaalsContact O-CB 3.27Å; I50-T54 WeakPolarHBondContact O-CB 3.32Å; I50-T54 PolarHBondContact O-N 3.43Å; I50-T54 PolarHBondContact O-OG1 3.38Å; M51-T54 PolarHBondContact O-N 2.9Å; D52-T54 PolarHBondContact O-N 3.47Å; T54-L57 PolarHBondContact O-N 3.32Å; T54-A58 PolarHBondContact O-N 3.11Å; T54-F82 HydrophobicContact CG2-CD2 4.4Å; T54-F82 HydrophobicContact CG2-CE2 4.12Å; T54-D85 HydrophobicContact CG2-CB 4.28Å; T54-L86 HydrophobicContact CG2-CB 4.01Å; T54-L86 HydrophobicContact CG2-CD1 4Å; T54-R89 HydrophobicContact CG2-CG 4.32Å
55E98.2Very high96.9Very high58 Ų5841.2 Ų41.227%0.27122%0.22SC..Hα-helixtrans-61.5-44.8173-175.8177.2159.900112.1M51 D52 R53 L57 A58 R59 R89M51-E55 PolarHBondContact O-N 3.21Å; D52-E55 PolarHBondContact O-N 2.99Å; R53-E55 VanDerWaalsContact C-N 3.28Å; R53-E55 PolarHBondContact O-N 3.3Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.96Å; E55-A58 PolarHBondContact O-N 2.73Å; E55-R59 PolarHBondContact O-N 3.01Å; E55-R59 IonicContact OE1-CZ 3.59Å; E55-R59 IonicContact OE1-NE 3.73Å; E55-R59 IonicContact OE1-NH2 2.71Å; E55-R59 PolarHBondContact OE1-NH2 3.16Å; E55-R89 HydrophobicContact CB-CG 4.4Å
56R97.9Very high96.3Very high121 Ų12142.3 Ų42.346%0.45723%0.233SC..Hα-helixtrans-62.2-41.6175.4176.455.8-178.6-97.6-9.5111.8D13 D52 R53 A58 R59 N60D13-R56 IonicContact OD1-NH2 2.78Å; D13-R56 IonicContact OD2-CZ 2.72Å; D13-R56 IonicContact OD2-NE 3.59Å; D13-R56 IonicContact OD2-NH2 2.87Å; D13-R56 PolarHBondContact OD2-NH2 3.46Å; D52-R56 PolarHBondContact O-N 3.26Å; R53-R56 PolarHBondContact O-N 3.48Å; R53-R56 VanDerWaalsContact O-N 3.13Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 2.94Å; R56-R59 PolarHBondContact O-N 3.27Å; R56-N60 PolarHBondContact NE-OD1 3.41Å; R56-N60 PolarHBondContact O-N 2.91Å; R56-N60 PolarHBondContact O-OD1 3.02Å
57L97.8Very high95.5Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-60.5-42.8176.5-65.9-176.7000111.9R53 T54 E55 R59 N60 I61 F82 L86R53-L57 WeakPolarHBondContact O-CG 3.26Å; R53-L57 PolarHBondContact O-N 2.96Å; T54-L57 PolarHBondContact O-N 3.32Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.96Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 3.18Å; L57-N60 PolarHBondContact O-N 3.07Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 2.76Å; L57-F82 HydrophobicContact CD1-CE2 4.11Å; L57-F82 HydrophobicContact CD1-CZ 3.86Å; L57-L86 HydrophobicContact CB-CD1 4.12Å
58A97.1Very high95.1Very high0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-58.9-41.7176.600000112.1T54 E55 R56 I61 M62 L86 R89 I90 L93T54-A58 PolarHBondContact O-N 3.11Å; E55-A58 PolarHBondContact O-N 2.73Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 2.94Å; A58-I61 PolarHBondContact O-N 2.97Å; A58-M62 WeakPolarHBondContact O-CG 3.43Å; A58-M62 PolarHBondContact O-N 2.82Å; A58-L86 HydrophobicContact CB-CD1 4.08Å; A58-R89 HydrophobicContact CB-CB 3.55Å; A58-I90 HydrophobicContact CB-CG1 3.73Å; A58-L93 HydrophobicContact CB-CD1 3.91Å
59R95.7Very high94.8Very high136 Ų13650.7 Ų50.751%0.51327%0.266SS..Hα-helixtrans-63.8-43.7175.8-65.7-176.7-167.2-169.94.3112.1E55 R56 L57 M62 G63 L93E55-R59 PolarHBondContact O-N 3.01Å; E55-R59 IonicContact OE1-CZ 3.59Å; E55-R59 IonicContact OE1-NE 3.73Å; E55-R59 IonicContact OE1-NH2 2.71Å; E55-R59 PolarHBondContact OE1-NH2 3.16Å; R56-R59 PolarHBondContact O-N 3.27Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 3.18Å; R59-M62 PolarHBondContact O-N 3.49Å; R59-G63 PolarHBondContact O-N 3.42Å; R59-L93 HydrophobicContact CB-CD1 4.37Å; R59-L93 HydrophobicContact CG-CD1 3.61Å; R59-L93 HydrophobicContact CG-CD2 4.06Å
60N95.7Very high94.7Very high27 Ų2748 Ų4814%0.14425%0.25CS..Hα-helixtrans-61.2-47177-69.56.1000110.8D13 R56 L57 M62 G63 D64 Y186D13-N60 PolarHBondContact OD2-ND2 3.43Å; R56-N60 PolarHBondContact NE-OD1 3.41Å; R56-N60 PolarHBondContact O-N 2.91Å; R56-N60 PolarHBondContact O-OD1 3.02Å; L57-N60 PolarHBondContact O-N 3.07Å; N60-M62 PolarHBondContact O-N 2.97Å; N60-G63 PolarHBondContact O-N 3.22Å; N60-D64 WeakPolarHBondContact O-CB 3.37Å; N60-D64 PolarHBondContact O-N 3.13Å; N60-Y186 HydrophobicContact CB-CD1 4.36Å; N60-Y186 HydrophobicContact CB-CE1 4.47Å
61I95.6Very high94.6Very high0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-59.3-45.4178.5-69.5165.3000111.3L57 A58 G63 D64 L65 L86 I90 L101 L139 A169 Y186L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 2.76Å; A58-I61 PolarHBondContact O-N 2.97Å; I61-G63 VanDerWaalsContact C-N 3.35Å; I61-D64 PolarHBondContact O-N 2.98Å; I61-L65 HydrophobicContact CG2-CD1 3.72Å; I61-L65 HydrophobicContact CG2-CG 4.34Å; I61-L65 VanDerWaalsContact O-CB 3.3Å; I61-L65 WeakPolarHBondContact O-CB 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.34Å; I61-L86 HydrophobicContact CD1-CD1 3.98Å; I61-L86 HydrophobicContact CD1-CD2 3.9Å; I61-L86 HydrophobicContact CD1-CG 4.33Å; I61-I90 HydrophobicContact CG2-CD1 4.2Å; I61-L101 HydrophobicContact CG2-CD2 4.31Å; I61-L139 HydrophobicContact CD1-CD1 4.46Å; I61-L139 HydrophobicContact CD1-CD2 4.06Å; I61-L139 HydrophobicContact CG2-CD2 4.1Å; I61-A169 HydrophobicContact CD1-CB 4.45Å; I61-Y186 HydrophobicContact CD1-CD2 4.14Å; I61-Y186 HydrophobicContact CD1-CE2 4.44Å; I61-Y186 HydrophobicContact CD1-CG 4.3Å; I61-Y186 HydrophobicContact CG1-CD1 3.84Å; I61-Y186 HydrophobicContact CG1-CD2 3.66Å; I61-Y186 HydrophobicContact CG1-CE1 3.8Å; I61-Y186 HydrophobicContact CG1-CE2 3.61Å; I61-Y186 HydrophobicContact CG1-CG 3.76Å
62M93.9Very high94.6Very high12 Ų1247 Ų476%0.05925%0.246CC..Hα-helixtrans-66.1-37177.6-73.7-172.471.100112.6A58 R59 N60 G66 I90 L93 H99 L101A58-M62 WeakPolarHBondContact O-CG 3.43Å; A58-M62 PolarHBondContact O-N 2.82Å; R59-M62 PolarHBondContact O-N 3.49Å; N60-M62 PolarHBondContact O-N 2.97Å; M62-G66 WeakPolarHBondContact O-CA 3.31Å; M62-G66 PolarHBondContact O-N 2.86Å; M62-I90 HydrophobicContact CG-CG2 3.99Å; M62-I90 HydrophobicContact SD-CG2 3.93Å; M62-L93 HydrophobicContact CE-CB 4.1Å; M62-L93 HydrophobicContact SD-CB 3.27Å; M62-L93 WeakPolarHBondContact SD-CB 3.32Å; M62-L93 HydrophobicContact SD-CD1 3.72Å; M62-L93 HydrophobicContact SD-CG 4.14Å; M62-H99 HydrophobicContact CE-CB 4.23Å; M62-H99 WeakPolarHBondContact CE-O 3.32Å; M62-L101 HydrophobicContact CG-CD2 4.31Å
63G92.9Very high94.5Very high58 Ų5841.8 Ų41.860%0.59822%0.218SC*.Hα-helixtrans-63.7-42.817500000112.6R59 N60 I61R59-G63 PolarHBondContact O-N 3.42Å; N60-G63 PolarHBondContact O-N 3.22Å; I61-G63 VanDerWaalsContact C-N 3.35Å
64D93.3Very high94.5Very high110 Ų11040.8 Ų40.859%0.58821%0.214SC*.Hα-helixtrans-79.1-35.3-175.6-72.6-0.2000113.1N60 I61 Y186N60-D64 WeakPolarHBondContact O-CB 3.37Å; N60-D64 PolarHBondContact O-N 3.13Å; I61-D64 PolarHBondContact O-N 2.98Å; D64-Y186 HydrophobicContact CB-CE1 4.41Å; D64-Y186 WeakPolarHBondContact CB-OH 3.3Å; D64-Y186 VanDerWaalsContact OD2-CE1 3.32Å; D64-Y186 WeakPolarHBondContact OD2-CE1 3.38Å; D64-Y186 PolarHBondContact OD2-OH 3.04Å
65L90.2Very high94.3Very high7 Ų741.2 Ų41.24%0.03722%0.216CC..Hα-helixtrans-92.6-15.3-177.4-60.3-176.2000113.7I61 H68 I70 L101 M165 K167I61-L65 HydrophobicContact CG2-CD1 3.72Å; I61-L65 HydrophobicContact CG2-CG 4.34Å; I61-L65 VanDerWaalsContact O-CB 3.3Å; I61-L65 WeakPolarHBondContact O-CB 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.34Å; L65-H68 WeakPolarHBondContact O-CB 3.39Å; L65-H68 PolarHBondContact O-CD2 2.72Å; L65-H68 PolarHBondContact O-N 3.13Å; L65-I70 HydrophobicContact CD1-CG2 3.73Å; L65-L101 HydrophobicContact CB-CD1 4.06Å; L65-M165 HydrophobicContact CD2-CE 3.95Å; L65-M165 HydrophobicContact CD2-SD 3.47Å; L65-M165 WeakPolarHBondContact CD2-SD 3.38Å; L65-K167 HydrophobicContact CD2-CG 4.19Å
66G84.8Confident94.2Very high28 Ų2840.9 Ų40.929%0.28922%0.216SC..THydrogen-bonded Turntrans57.3-139.1179.800000112.3M62 H68 L101M62-G66 WeakPolarHBondContact O-CA 3.31Å; M62-G66 PolarHBondContact O-N 2.86Å; G66-H68 VanDerWaalsContact C-N 3.31Å; G66-H68 PolarHBondContact O-N 3.35Å; G66-L101 WeakPolarHBondContact O-CD1 3.33Å
67D83.9Confident94Very high97 Ų9738.8 Ų38.852%0.51921%0.21SC..THydrogen-bonded Turntrans-93.524-179.8-56.7-48.5000113.3T100D67-T100 WeakPolarHBondContact CA-O 3.46Å; D67-T100 PolarHBondContact OD1-N 3.45Å; D67-T100 VanDerWaalsContact OD1-N 3.16Å; D67-T100 VanDerWaalsContact OD1-O 3.12Å
68H88.9Confident93.9Very high98 Ų9839.8 Ų39.845%0.45422%0.219SC..  trans-85.4127.1-179.5-65.7-48.8000111.9L65 G66 I70 L101 N137L65-H68 WeakPolarHBondContact O-CB 3.39Å; L65-H68 PolarHBondContact O-CD2 2.72Å; L65-H68 PolarHBondContact O-N 3.13Å; G66-H68 VanDerWaalsContact C-N 3.31Å; G66-H68 PolarHBondContact O-N 3.35Å; H68-I70 WeakPolarHBondContact O-CG2 3.44Å; H68-I70 PolarHBondContact O-N 3.39Å; H68-L101 WeakPolarHBondContact O-CD1 3.4Å; H68-N137 WeakPolarHBondContact CB-ND2 3.26Å
69D92.6Very high93.9Very high92 Ų9239.8 Ų39.849%0.49222%0.219SC..  trans-50.4134.4173.8-62.61.3000112.3P102 N137D69-P102 WeakPolarHBondContact CA-O 3.38Å; D69-P102 WeakPolarHBondContact OD1-CB 3.4Å; D69-P102 WeakPolarHBondContact OD1-CG 3.45Å; D69-N137 PolarHBondContact O-ND2 2.97Å
70I96.7Very high94Very high4 Ų437.7 Ų37.72%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-121.1150176.865.9164.7000112.7L65 H68 V72 L101 P102 M103 S104 N137 L139L65-I70 HydrophobicContact CD1-CG2 3.73Å; H68-I70 WeakPolarHBondContact O-CG2 3.44Å; H68-I70 PolarHBondContact O-N 3.39Å; I70-V72 HydrophobicContact CD1-CG2 3.68Å; I70-V72 HydrophobicContact CG1-CG2 4.25Å; I70-L101 HydrophobicContact CD1-CD2 3.65Å; I70-L101 HydrophobicContact CD1-CG 4.22Å; I70-L101 HydrophobicContact CG1-CD2 4.15Å; I70-L101 HydrophobicContact CG1-CG 4.15Å; I70-L101 HydrophobicContact CG2-CD1 4.06Å; I70-L101 HydrophobicContact CG2-CD2 4.48Å; I70-L101 HydrophobicContact CG2-CG 4.43Å; I70-P102 PolarHBondContact N-O 2.87Å; I70-M103 HydrophobicContact CD1-CB 4.39Å; I70-M103 HydrophobicContact CD1-CE 4.22Å; I70-M103 HydrophobicContact CG1-CB 3.81Å; I70-M103 VanDerWaalsContact O-CA 3.31Å; I70-M103 WeakPolarHBondContact O-CA 3.46Å; I70-S104 PolarHBondContact O-N 2.83Å; I70-S104 VanDerWaalsContact O-N 3.11Å; I70-N137 CarbonylContact C-O 3.58Å; I70-N137 WeakPolarHBondContact CA-O 3.48Å; I70-N137 HydrophobicContact CG2-CB 4.15Å; I70-L139 HydrophobicContact CD1-CB 4.26Å; I70-L139 HydrophobicContact CD1-CD2 4.12Å
71V97.9Very high94.1Very high7 Ų739 Ų394%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-103.8112.6162.5-176.80000107.7F132 L133 K136 N137 V138 L139V71-F132 HydrophobicContact CG1-CD2 4.39Å; V71-F132 HydrophobicContact CG1-CE2 4.02Å; V71-L133 HydrophobicContact CB-CD2 4Å; V71-L133 HydrophobicContact CG1-CD2 3.62Å; V71-L133 HydrophobicContact CG2-CD2 4.38Å; V71-K136 HydrophobicContact CG2-CB 3.89Å; V71-K136 HydrophobicContact CG2-CG 4.02Å; V71-N137 PolarHBondContact N-O 2.81Å; V71-V138 WeakPolarHBondContact O-CA 3.38Å; V71-L139 PolarHBondContact O-N 2.84Å
72V98.1Very high94.2Very high1 Ų139 Ų391%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-80.2120.3172.6-177.10000108.4I70 V87 M103 S104 V105 N106 L139 V141I70-V72 HydrophobicContact CD1-CG2 3.68Å; I70-V72 HydrophobicContact CG1-CG2 4.25Å; V72-V87 HydrophobicContact CG1-CG2 4.1Å; V72-V87 HydrophobicContact CG2-CG2 4.33Å; V72-M103 HydrophobicContact CG2-CB 4.41Å; V72-S104 PolarHBondContact N-O 3.07Å; V72-V105 HydrophobicContact CB-CG2 4.3Å; V72-V105 WeakPolarHBondContact O-CA 3.47Å; V72-N106 PolarHBondContact O-N 3.39Å; V72-L139 CarbonylContact C-O 3.58Å; V72-L139 WeakPolarHBondContact CA-O 3.01Å; V72-L139 HydrophobicContact CG2-CD2 4.49Å; V72-V141 HydrophobicContact CG1-CG2 3.77Å
73L97.2Very high94.5Very high0 Ų038.6 Ų38.60%022%0.216CC..EExtended strand (participates in β ladder)trans-111.199.3-179.7-167.565.3000109.8N106 I108 L133 V138 L139 I140 V141 V158L73-N106 HydrophobicContact CD1-CB 3.85Å; L73-I108 HydrophobicContact CD1-CG1 4.41Å; L73-I108 HydrophobicContact CD1-CG2 3.82Å; L73-I108 HydrophobicContact CD2-CD1 3.95Å; L73-I108 HydrophobicContact CD2-CG1 4.48Å; L73-I108 HydrophobicContact CG-CD1 4.13Å; L73-I108 HydrophobicContact CG-CG1 4.15Å; L73-I108 HydrophobicContact CG-CG2 4.38Å; L73-L133 HydrophobicContact CD2-CD1 4.25Å; L73-V138 HydrophobicContact CB-CG1 4.14Å; L73-V138 HydrophobicContact CD2-CG1 4.47Å; L73-L139 PolarHBondContact N-O 3.39Å; L73-I140 HydrophobicContact CB-CG1 4.43Å; L73-I140 HydrophobicContact CD2-CG1 4.37Å; L73-I140 WeakPolarHBondContact O-CA 3.03Å; L73-V141 PolarHBondContact O-N 3.26Å; L73-V158 HydrophobicContact CD2-CG2 4.06Å
74C97.4Very high94.8Very high0 Ų038.3 Ų38.30%021%0.208CC..EExtended strand (participates in β ladder)trans-79.7127.4-179.7179.40000111.5L76 C83 N106 F107 I108C74-L76 PolarHBondContact O-N 3.47Å; C74-C83 HydrophobicContact CB-CB 3.99Å; C74-C83 VanDerWaalsContact SG-CB 3.57Å; C74-N106 PolarHBondContact N-O 3.06Å; C74-F107 HydrophobicContact CB-CD1 3.55Å; C74-F107 HydrophobicContact CB-CE1 3.85Å; C74-F107 HydrophobicContact CB-CG 4.43Å; C74-I108 PolarHBondContact O-N 2.89Å
75V95.2Very high95Very high9 Ų934.4 Ų34.46%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-87.6103.8173.8-175.20000110.4G79 I108 L110 I140 V141 E142 L154V75-G79 VanDerWaalsContact O-CA 3.26Å; V75-G79 WeakPolarHBondContact O-CA 3.27Å; V75-G79 PolarHBondContact O-N 2.82Å; V75-I108 HydrophobicContact CG2-CD1 4.26Å; V75-I108 HydrophobicContact CG2-CG1 4.39Å; V75-L110 HydrophobicContact CG1-CB 4.13Å; V75-L110 HydrophobicContact CG1-CD1 3.75Å; V75-L110 HydrophobicContact CG1-CG 4Å; V75-I140 HydrophobicContact CG2-CG2 3.9Å; V75-V141 PolarHBondContact N-O 3.23Å; V75-E142 HydrophobicContact CG2-CB 4.37Å; V75-L154 HydrophobicContact CG2-CD2 3.75Å
76L95Very high95.4Very high51 Ų5134.1 Ų34.127%0.26719%0.185SC..EExtended strand (participates in β ladder)trans-79.9151.6177.2-66.4-178.8000112.4C74 F107 I108 R109 L110C74-L76 PolarHBondContact O-N 3.47Å; L76-F107 HydrophobicContact CD1-CB 3.76Å; L76-F107 HydrophobicContact CD1-CD1 4.09Å; L76-F107 HydrophobicContact CD1-CG 4.24Å; L76-F107 HydrophobicContact CD2-CD1 3.95Å; L76-F107 HydrophobicContact CG-CB 4.16Å; L76-F107 HydrophobicContact CG-CD1 4.05Å; L76-I108 VanDerWaalsContact CB-O 3.32Å; L76-I108 WeakPolarHBondContact CB-O 3.2Å; L76-I108 PolarHBondContact N-O 2.82Å; L76-R109 HydrophobicContact CB-CB 4.32Å; L76-L110 PolarHBondContact O-N 2.9Å
77K94.6Very high96.1Very high77 Ų7733.8 Ų33.834%0.33518%0.177SC..THydrogen-bonded Turncis-85.7-43.10.5-65.7-177.1-174.4176.20112.7G79 Y80 E205K77-G79 PolarHBondContact O-N 2.78Å; K77-Y80 VanDerWaalsContact O-CD1 3.24Å; K77-Y80 WeakPolarHBondContact O-CD1 3.44Å; K77-Y80 PolarHBondContact O-N 2.98Å; K77-E205 IonicContact NZ-OE1 2.76Å; K77-E205 IonicContact NZ-OE2 3.27Å; K77-E205 PolarHBondContact NZ-OE2 2.82Å
78A95.3Very high96.7Very high21 Ų2132.7 Ų32.717%0.17417%0.169CC..THydrogen-bonded Turntrans-55.3-30.2-166.900000115.1Y80 A143 A200 L201A78-Y80 VanDerWaalsContact C-N 3.25Å; A78-Y80 PolarHBondContact O-N 3.2Å; A78-A143 HydrophobicContact CB-CB 3.83Å; A78-A143 WeakPolarHBondContact O-CB 3.42Å; A78-A200 WeakPolarHBondContact CA-O 3.44Å; A78-A200 WeakPolarHBondContact O-CB 3.46Å; A78-L201 HydrophobicContact CB-CD2 4.05Å
79G96.1Very high97.2Very high1 Ų131.6 Ų31.61%0.0116%0.161CC..Hα-helixtrans-70.3-12.1179.200000115.5V75 K77 Q81 F82 C83V75-G79 VanDerWaalsContact O-CA 3.26Å; V75-G79 WeakPolarHBondContact O-CA 3.27Å; V75-G79 PolarHBondContact O-N 2.82Å; K77-G79 PolarHBondContact O-N 2.78Å; G79-Q81 PolarHBondContact O-N 2.92Å; G79-F82 PolarHBondContact O-N 3.26Å; G79-C83 VanDerWaalsContact O-CB 3.22Å; G79-C83 WeakPolarHBondContact O-CB 3.44Å; G79-C83 PolarHBondContact O-N 3.49Å
80Y97.9Very high97.3Very high91 Ų9127.2 Ų27.236%0.35714%0.138SC..Hα-helixtrans-61-43.4-168.387.5-100000112.9K77 A78 A84 A200K77-Y80 VanDerWaalsContact O-CD1 3.24Å; K77-Y80 WeakPolarHBondContact O-CD1 3.44Å; K77-Y80 PolarHBondContact O-N 2.98Å; A78-Y80 VanDerWaalsContact C-N 3.25Å; A78-Y80 PolarHBondContact O-N 3.2Å; Y80-A84 WeakPolarHBondContact O-CB 3.42Å; Y80-A84 PolarHBondContact O-N 3.22Å; Y80-A200 HydrophobicContact CD1-CB 3.62Å; Y80-A200 HydrophobicContact CE1-CB 3.22Å; Y80-A200 HydrophobicContact CG-CB 4.47Å
81Q98.5Very high97.3Very high55 Ų5531.8 Ų31.826%0.25716%0.157SC..Hα-helixtrans-70-49.2-176.1-172.968.735.300110.4G79 C83 A84 D85 Y199 A200G79-Q81 PolarHBondContact O-N 2.92Å; Q81-C83 VanDerWaalsContact C-N 3.31Å; Q81-C83 PolarHBondContact O-N 3.01Å; Q81-A84 PolarHBondContact O-N 2.96Å; Q81-D85 PolarHBondContact NE2-OD2 2.84Å; Q81-D85 PolarHBondContact O-N 2.81Å; Q81-Y199 HydrophobicContact CB-CE1 4.4Å; Q81-Y199 HydrophobicContact CB-CE2 4.47Å; Q81-Y199 HydrophobicContact CG-CD1 4.37Å; Q81-Y199 HydrophobicContact CG-CD2 3.71Å; Q81-Y199 HydrophobicContact CG-CE1 4.14Å; Q81-Y199 HydrophobicContact CG-CE2 3.41Å; Q81-Y199 VanDerWaalsContact CG-CE2 3.41Å; Q81-Y199 HydrophobicContact CG-CG 4.18Å; Q81-A200 HydrophobicContact CB-CB 3.72Å
82F98.8Very high97.2Very high0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-57.8-43.9175.5177.7-134.7000112.1T54 L57 G79 D85 L86 V141 A169 L171 Y199T54-F82 HydrophobicContact CG2-CD2 4.4Å; T54-F82 HydrophobicContact CG2-CE2 4.12Å; L57-F82 HydrophobicContact CD1-CE2 4.11Å; L57-F82 HydrophobicContact CD1-CZ 3.86Å; G79-F82 PolarHBondContact O-N 3.26Å; F82-D85 PolarHBondContact O-N 3.46Å; F82-L86 HydrophobicContact CE2-CB 4.42Å; F82-L86 HydrophobicContact CZ-CD2 4.18Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 PolarHBondContact O-N 2.94Å; F82-V141 HydrophobicContact CD1-CG1 3.36Å; F82-V141 HydrophobicContact CE1-CG1 3.59Å; F82-V141 HydrophobicContact CG-CG1 4.21Å; F82-A169 HydrophobicContact CE1-CB 4.27Å; F82-A169 HydrophobicContact CZ-CB 4.4Å; F82-L171 HydrophobicContact CB-CB 4.46Å; F82-L171 HydrophobicContact CB-CD2 4.3Å; F82-L171 HydrophobicContact CD1-CB 3.68Å; F82-L171 HydrophobicContact CD2-CB 4.01Å; F82-L171 HydrophobicContact CD2-CD1 4.09Å; F82-L171 HydrophobicContact CD2-CD2 4.37Å; F82-L171 HydrophobicContact CD2-CG 4.39Å; F82-L171 HydrophobicContact CE1-CB 3.83Å; F82-L171 HydrophobicContact CE2-CB 4.15Å; F82-L171 HydrophobicContact CE2-CD1 4.08Å; F82-L171 HydrophobicContact CG-CB 3.78Å; F82-L171 HydrophobicContact CG-CD2 4.31Å; F82-L171 HydrophobicContact CG-CG 4.48Å; F82-L171 HydrophobicContact CZ-CB 4.07Å; F82-Y199 HydrophobicContact CB-CE1 3.88Å
83C98.7Very high97Very high4 Ų434.1 Ų34.13%0.02717%0.172CC..Hα-helixtrans-63.2-44177.7-175.20000112.1C74 G79 Q81 L86 V87 V141C74-C83 HydrophobicContact CB-CB 3.99Å; C74-C83 VanDerWaalsContact SG-CB 3.57Å; G79-C83 VanDerWaalsContact O-CB 3.22Å; G79-C83 WeakPolarHBondContact O-CB 3.44Å; G79-C83 PolarHBondContact O-N 3.49Å; Q81-C83 VanDerWaalsContact C-N 3.31Å; Q81-C83 PolarHBondContact O-N 3.01Å; C83-L86 PolarHBondContact O-N 3.03Å; C83-V87 VanDerWaalsContact O-CB 3.32Å; C83-V87 WeakPolarHBondContact O-CB 3.37Å; C83-V87 VanDerWaalsContact O-CG2 3.25Å; C83-V87 WeakPolarHBondContact O-CG2 3.21Å; C83-V87 PolarHBondContact O-N 3.13Å; C83-V141 HydrophobicContact CB-CB 4.17Å; C83-V141 HydrophobicContact CB-CG1 3.82Å
84A98.7Very high96.8Very high52 Ų5235.3 Ų35.343%0.4318%0.18SC..Hα-helixtrans-60.8-47.9178.600000111.2Y80 Q81 V87 E88Y80-A84 WeakPolarHBondContact O-CB 3.42Å; Y80-A84 PolarHBondContact O-N 3.22Å; Q81-A84 PolarHBondContact O-N 2.96Å; A84-V87 PolarHBondContact O-N 2.87Å; A84-E88 PolarHBondContact O-N 3.11Å
85D98.8Very high96.6Very high27 Ų2742.6 Ų42.614%0.14421%0.208CC..Hα-helixtrans-66.8-41.8-179.4-70.3-32.3000111.5M51 T54 Q81 F82 E88 R89 Y199M51-D85 HydrophobicContact CE-CB 4.06Å; M51-D85 HydrophobicContact SD-CB 4.25Å; T54-D85 HydrophobicContact CG2-CB 4.28Å; Q81-D85 PolarHBondContact NE2-OD2 2.84Å; Q81-D85 PolarHBondContact O-N 2.81Å; F82-D85 PolarHBondContact O-N 3.46Å; D85-E88 PolarHBondContact O-N 2.92Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.33Å; D85-R89 PolarHBondContact O-N 3.49Å; D85-Y199 WeakPolarHBondContact CB-OH 3.17Å; D85-Y199 WeakPolarHBondContact OD2-CE2 3.16Å; D85-Y199 PolarHBondContact OD2-OH 2.86Å
86L98.6Very high96.5Very high1 Ų148.2 Ų48.21%0.00524%0.238CC..Hα-helixtrans-62.3-46.2176.7-174.964.7000112T54 L57 A58 I61 F82 C83 E88 R89 I90 V141 A169T54-L86 HydrophobicContact CG2-CB 4.01Å; T54-L86 HydrophobicContact CG2-CD1 4Å; L57-L86 HydrophobicContact CB-CD1 4.12Å; A58-L86 HydrophobicContact CB-CD1 4.08Å; I61-L86 HydrophobicContact CD1-CD1 3.98Å; I61-L86 HydrophobicContact CD1-CD2 3.9Å; I61-L86 HydrophobicContact CD1-CG 4.33Å; F82-L86 HydrophobicContact CE2-CB 4.42Å; F82-L86 HydrophobicContact CZ-CD2 4.18Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 PolarHBondContact O-N 2.94Å; C83-L86 PolarHBondContact O-N 3.03Å; L86-E88 VanDerWaalsContact C-N 3.34Å; L86-E88 PolarHBondContact O-N 3.2Å; L86-R89 PolarHBondContact O-N 2.89Å; L86-I90 HydrophobicContact CG-CD1 4.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.4Å; L86-I90 PolarHBondContact O-N 2.78Å; L86-V141 HydrophobicContact CD2-CG1 4.36Å; L86-V141 HydrophobicContact CD2-CG2 4.1Å; L86-A169 HydrophobicContact CD2-CB 4.07Å
87V98.3Very high96.2Very high22 Ų2248.4 Ų48.413%0.13324%0.243CC..Hα-helixtrans-61.2-42.9176.41650000110.9V72 C83 A84 R89 I90 K91 M103 V105V72-V87 HydrophobicContact CG1-CG2 4.1Å; V72-V87 HydrophobicContact CG2-CG2 4.33Å; C83-V87 VanDerWaalsContact O-CB 3.32Å; C83-V87 WeakPolarHBondContact O-CB 3.37Å; C83-V87 VanDerWaalsContact O-CG2 3.25Å; C83-V87 WeakPolarHBondContact O-CG2 3.21Å; C83-V87 PolarHBondContact O-N 3.13Å; A84-V87 PolarHBondContact O-N 2.87Å; V87-R89 VanDerWaalsContact C-N 3.34Å; V87-R89 PolarHBondContact O-N 2.86Å; V87-I90 PolarHBondContact O-N 3.43Å; V87-K91 HydrophobicContact CG1-CD 3.9Å; V87-K91 HydrophobicContact CG1-CG 4.39Å; V87-K91 WeakPolarHBondContact O-CB 3.37Å; V87-K91 VanDerWaalsContact O-CG 3.32Å; V87-K91 WeakPolarHBondContact O-CG 3.35Å; V87-K91 PolarHBondContact O-N 2.9Å; V87-M103 HydrophobicContact CG1-SD 3.86Å; V87-M103 HydrophobicContact CG2-SD 4.46Å; V87-V105 HydrophobicContact CG2-CG2 4.38Å
88E98.3Very high95.8Very high73 Ų7352.6 Ų52.634%0.34127%0.269SS..Hα-helixtrans-64.7-37.9177.5-17454.5-143.100112A84 D85 L86 K91 A92 R95A84-E88 PolarHBondContact O-N 3.11Å; D85-E88 PolarHBondContact O-N 2.92Å; L86-E88 VanDerWaalsContact C-N 3.34Å; L86-E88 PolarHBondContact O-N 3.2Å; E88-K91 PolarHBondContact O-N 2.88Å; E88-K91 IonicContact OE2-NZ 3.84Å; E88-K91 PolarHBondContact OE2-NZ 2.95Å; E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 3.25Å; E88-R95 IonicContact OE1-CZ 3.7Å; E88-R95 IonicContact OE1-NH1 3.19Å; E88-R95 PolarHBondContact OE1-NH1 3.2Å; E88-R95 IonicContact OE1-NH2 3.54Å
89R97.8Very high95.4Very high75 Ų7557.1 Ų57.128%0.28329%0.286SS..Hα-helixtrans-64.2-42.1174.1-66.3-58.4178.3-172.80.3112.2T54 E55 A58 D85 L86 V87 A92 L93T54-R89 HydrophobicContact CG2-CG 4.32Å; E55-R89 HydrophobicContact CB-CG 4.4Å; A58-R89 HydrophobicContact CB-CB 3.55Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.33Å; D85-R89 PolarHBondContact O-N 3.49Å; L86-R89 PolarHBondContact O-N 2.89Å; V87-R89 VanDerWaalsContact C-N 3.34Å; V87-R89 PolarHBondContact O-N 2.86Å; R89-A92 PolarHBondContact O-N 2.97Å; R89-L93 WeakPolarHBondContact O-CG 3.45Å; R89-L93 PolarHBondContact O-N 3.07Å
90I96.6Very high95Very high1 Ų160.4 Ų60.41%0.00531%0.306CS..Hα-helixtrans-65.6-41.1175.6-63.1166.6000111.3A58 I61 M62 L86 V87 A92 L93 S94 L101 M103A58-I90 HydrophobicContact CB-CG1 3.73Å; I61-I90 HydrophobicContact CG2-CD1 4.2Å; M62-I90 HydrophobicContact CG-CG2 3.99Å; M62-I90 HydrophobicContact SD-CG2 3.93Å; L86-I90 HydrophobicContact CG-CD1 4.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.4Å; L86-I90 PolarHBondContact O-N 2.78Å; V87-I90 PolarHBondContact O-N 3.43Å; I90-A92 VanDerWaalsContact C-N 3.3Å; I90-A92 PolarHBondContact O-N 3.09Å; I90-L93 PolarHBondContact O-N 2.87Å; I90-S94 WeakPolarHBondContact O-CB 3.46Å; I90-S94 PolarHBondContact O-N 3.41Å; I90-S94 PolarHBondContact O-OG 2.54Å; I90-L101 HydrophobicContact CG2-CB 4.19Å; I90-L101 HydrophobicContact CG2-CD2 4.02Å; I90-M103 HydrophobicContact CB-CE 3.73Å; I90-M103 HydrophobicContact CD1-CE 4.06Å; I90-M103 HydrophobicContact CG2-CE 3.21Å
91K96Very high94.7Very high99 Ų9956.3 Ų56.343%0.4329%0.291SS..Hα-helixtrans-60.5-40.6173.6-74.4167.863.4-155.80111.7V87 E88 S94 R95 M103V87-K91 HydrophobicContact CG1-CD 3.9Å; V87-K91 HydrophobicContact CG1-CG 4.39Å; V87-K91 WeakPolarHBondContact O-CB 3.37Å; V87-K91 VanDerWaalsContact O-CG 3.32Å; V87-K91 WeakPolarHBondContact O-CG 3.35Å; V87-K91 PolarHBondContact O-N 2.9Å; E88-K91 PolarHBondContact O-N 2.88Å; E88-K91 IonicContact OE2-NZ 3.84Å; E88-K91 PolarHBondContact OE2-NZ 2.95Å; K91-S94 PolarHBondContact O-N 3.11Å; K91-R95 WeakPolarHBondContact O-CG 3.37Å; K91-R95 PolarHBondContact O-N 2.93Å; K91-R95 VanDerWaalsContact O-N 3.12Å; K91-M103 HydrophobicContact CG-SD 4.48Å
92A96.2Very high94.4Very high19 Ų1956.5 Ų56.516%0.15730%0.297CS..Hα-helixtrans-65.9-39178.300000112.3E88 R89 I90 R95 N96E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 3.25Å; R89-A92 PolarHBondContact O-N 2.97Å; I90-A92 VanDerWaalsContact C-N 3.3Å; I90-A92 PolarHBondContact O-N 3.09Å; A92-R95 WeakPolarHBondContact O-CG 3.32Å; A92-N96 WeakPolarHBondContact O-CB 3.36Å; A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 3.08Å
93L94.1Very high94.3Very high39 Ų3959.1 Ų59.120%0.20431%0.31CS..Hα-helixtrans-70.2-44.4174.8-68.7167.5000111.4A58 R59 M62 R89 I90 R95 N96 S97A58-L93 HydrophobicContact CB-CD1 3.91Å; R59-L93 HydrophobicContact CB-CD1 4.37Å; R59-L93 HydrophobicContact CG-CD1 3.61Å; R59-L93 HydrophobicContact CG-CD2 4.06Å; M62-L93 HydrophobicContact CE-CB 4.1Å; M62-L93 HydrophobicContact SD-CB 3.27Å; M62-L93 WeakPolarHBondContact SD-CB 3.32Å; M62-L93 HydrophobicContact SD-CD1 3.72Å; M62-L93 HydrophobicContact SD-CG 4.14Å; R89-L93 WeakPolarHBondContact O-CG 3.45Å; R89-L93 PolarHBondContact O-N 3.07Å; I90-L93 PolarHBondContact O-N 2.87Å; L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 2.96Å; L93-N96 PolarHBondContact O-N 2.83Å; L93-N96 VanDerWaalsContact O-N 3.17Å; L93-S97 WeakPolarHBondContact O-CB 3.26Å; L93-S97 PolarHBondContact O-N 2.91Å; L93-S97 VanDerWaalsContact O-N 3.09Å; L93-S97 PolarHBondContact O-OG 2.83Å
94S92.4Very high94.1Very high25 Ų2561.5 Ų61.518%0.17533%0.327CS..Hα-helixtrans-60.2-30.9178.7-62.80000113.8I90 K91 H99 L101I90-S94 WeakPolarHBondContact O-CB 3.46Å; I90-S94 PolarHBondContact O-N 3.41Å; I90-S94 PolarHBondContact O-OG 2.54Å; K91-S94 PolarHBondContact O-N 3.11Å; S94-H99 WeakPolarHBondContact CA-O 3.22Å; S94-L101 PolarHBondContact OG-N 3Å
95R92.9Very high94.1Very high152 Ų15261.9 Ų61.957%0.57432%0.323SS*.Hα-helixtrans-88.6-13.1179.473.9-171.6176.3-126.81.9114.5E88 K91 A92 L93E88-R95 IonicContact OE1-CZ 3.7Å; E88-R95 IonicContact OE1-NH1 3.19Å; E88-R95 PolarHBondContact OE1-NH1 3.2Å; E88-R95 IonicContact OE1-NH2 3.54Å; K91-R95 WeakPolarHBondContact O-CG 3.37Å; K91-R95 PolarHBondContact O-N 2.93Å; K91-R95 VanDerWaalsContact O-N 3.12Å; A92-R95 WeakPolarHBondContact O-CG 3.32Å; L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 2.96Å
96N92.7Very high93.9Very high127 Ų12763.1 Ų63.168%0.67933%0.33SS*.Hα-helixtrans-119.910.7-174.5-66.6-58000112.7A92 L93A92-N96 WeakPolarHBondContact O-CB 3.36Å; A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 3.08Å; L93-N96 PolarHBondContact O-N 2.83Å; L93-N96 VanDerWaalsContact O-N 3.17Å
97S88.6Confident93.7Very high55 Ų5568.5 Ų68.539%0.38535%0.354SS..SBendtrans-142.3167.5176.970.90000110.2L93 H99L93-S97 WeakPolarHBondContact O-CB 3.26Å; L93-S97 PolarHBondContact O-N 2.91Å; L93-S97 VanDerWaalsContact O-N 3.09Å; L93-S97 PolarHBondContact O-OG 2.83Å; S97-H99 PolarHBondContact O-N 3.17Å; S97-H99 PolarHBondContact OG-N 3.38Å; S97-H99 PolarHBondContact OG-O 2.87Å
98D87.3Confident93.5Very high165 Ų16567.7 Ų67.788%0.88235%0.348SS*.SBendtrans-78.2-2.9176.8-62-42.2000113
99H85.9Confident93Very high116 Ų11669.1 Ų69.154%0.53735%0.35SS..  trans-99.5130.6178.2-70.5-161.8000109.6M62 S94 S97M62-H99 HydrophobicContact CE-CB 4.23Å; M62-H99 WeakPolarHBondContact CE-O 3.32Å; S94-H99 WeakPolarHBondContact CA-O 3.22Å; S97-H99 PolarHBondContact O-N 3.17Å; S97-H99 PolarHBondContact OG-N 3.38Å; S97-H99 PolarHBondContact OG-O 2.87Å
100T88.1Confident92.4Very high70 Ų7066.4 Ų66.443%0.42934%0.342SS..  trans-128.2132.4-175.961.60000110.6D67 P102D67-T100 WeakPolarHBondContact CA-O 3.46Å; D67-T100 PolarHBondContact OD1-N 3.45Å; D67-T100 VanDerWaalsContact OD1-N 3.16Å; D67-T100 VanDerWaalsContact OD1-O 3.12Å; T100-P102 WeakPolarHBondContact O-CD 3.48Å
101L91.4Very high91.4Very high6 Ų672 Ų723%0.03137%0.366CS..  trans-116.492.9176.9-168.871000110I61 M62 L65 G66 H68 I70 I90 S94 M103I61-L101 HydrophobicContact CG2-CD2 4.31Å; M62-L101 HydrophobicContact CG-CD2 4.31Å; L65-L101 HydrophobicContact CB-CD1 4.06Å; G66-L101 WeakPolarHBondContact O-CD1 3.33Å; H68-L101 WeakPolarHBondContact O-CD1 3.4Å; I70-L101 HydrophobicContact CD1-CD2 3.65Å; I70-L101 HydrophobicContact CD1-CG 4.22Å; I70-L101 HydrophobicContact CG1-CD2 4.15Å; I70-L101 HydrophobicContact CG1-CG 4.15Å; I70-L101 HydrophobicContact CG2-CD1 4.06Å; I70-L101 HydrophobicContact CG2-CD2 4.48Å; I70-L101 HydrophobicContact CG2-CG 4.43Å; I90-L101 HydrophobicContact CG2-CB 4.19Å; I90-L101 HydrophobicContact CG2-CD2 4.02Å; S94-L101 PolarHBondContact OG-N 3Å; L101-M103 HydrophobicContact CD2-CE 4.48Å; L101-M103 PolarHBondContact O-N 3.33Å
102P92.8Very high90.3Very high58 Ų5868 Ų6838%0.37735%0.351SS..  trans-59.5136.3175.3-22.233.9000110.7D69 I70 T100D69-P102 WeakPolarHBondContact CA-O 3.38Å; D69-P102 WeakPolarHBondContact OD1-CB 3.4Å; D69-P102 WeakPolarHBondContact OD1-CG 3.45Å; I70-P102 PolarHBondContact N-O 2.87Å; T100-P102 WeakPolarHBondContact O-CD 3.48Å
103M95.3Very high89.1Confident55 Ų5570.5 Ų70.527%0.27136%0.356SS..EExtended strand (participates in β ladder)trans-143.3140.5-174.355.917657.500113.6I70 V72 V87 I90 K91 L101I70-M103 HydrophobicContact CD1-CB 4.39Å; I70-M103 HydrophobicContact CD1-CE 4.22Å; I70-M103 HydrophobicContact CG1-CB 3.81Å; I70-M103 VanDerWaalsContact O-CA 3.31Å; I70-M103 WeakPolarHBondContact O-CA 3.46Å; V72-M103 HydrophobicContact CG2-CB 4.41Å; V87-M103 HydrophobicContact CG1-SD 3.86Å; V87-M103 HydrophobicContact CG2-SD 4.46Å; I90-M103 HydrophobicContact CB-CE 3.73Å; I90-M103 HydrophobicContact CD1-CE 4.06Å; I90-M103 HydrophobicContact CG2-CE 3.21Å; K91-M103 HydrophobicContact CG-SD 4.48Å; L101-M103 HydrophobicContact CD2-CE 4.48Å; L101-M103 PolarHBondContact O-N 3.33Å
104S96.6Very high88.2Confident55 Ų5571.7 Ų71.739%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-109.4152.7159.464.90000109.8I70 V72I70-S104 PolarHBondContact O-N 2.83Å; I70-S104 VanDerWaalsContact O-N 3.11Å; V72-S104 PolarHBondContact N-O 3.07Å
105V96.9Very high87.8Confident59 Ų5971.9 Ų71.936%0.35836%0.364SS..EExtended strand (participates in β ladder)trans-120.6128.4-178.5-173.70000109.7V72 V87 F107V72-V105 HydrophobicContact CB-CG2 4.3Å; V72-V105 WeakPolarHBondContact O-CA 3.47Å; V87-V105 HydrophobicContact CG2-CG2 4.38Å; V105-F107 HydrophobicContact CG1-CE1 4.43Å; V105-F107 HydrophobicContact CG1-CE2 4.07Å; V105-F107 HydrophobicContact CG1-CZ 3.85Å
106N95.6Very high87.1Confident53 Ų5367.8 Ų67.828%0.28335%0.354SS..EExtended strand (participates in β ladder)trans-128.2157.4176.1-7285.2000110V72 L73 C74 F132V72-N106 PolarHBondContact O-N 3.39Å; L73-N106 HydrophobicContact CD1-CB 3.85Å; C74-N106 PolarHBondContact N-O 3.06Å; N106-F132 HydrophobicContact CB-CE2 3.85Å; N106-F132 HydrophobicContact CB-CZ 3.96Å
107F94.4Very high86.3Confident115 Ų11567.7 Ų67.750%0.50435%0.349SS..EExtended strand (participates in β ladder)trans-126.1136.5-176.4-58.2-90.3000110C74 L76 V105C74-F107 HydrophobicContact CB-CD1 3.55Å; C74-F107 HydrophobicContact CB-CE1 3.85Å; C74-F107 HydrophobicContact CB-CG 4.43Å; L76-F107 HydrophobicContact CD1-CB 3.76Å; L76-F107 HydrophobicContact CD1-CD1 4.09Å; L76-F107 HydrophobicContact CD1-CG 4.24Å; L76-F107 HydrophobicContact CD2-CD1 3.95Å; L76-F107 HydrophobicContact CG-CB 4.16Å; L76-F107 HydrophobicContact CG-CD1 4.05Å; V105-F107 HydrophobicContact CG1-CE1 4.43Å; V105-F107 HydrophobicContact CG1-CE2 4.07Å; V105-F107 HydrophobicContact CG1-CZ 3.85Å
108I92.9Very high85.5Confident4 Ų467.3 Ų67.32%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-126.3155.9169.756.1168.6000108.6L73 C74 V75 L76 A127 L130 L154L73-I108 HydrophobicContact CD1-CG1 4.41Å; L73-I108 HydrophobicContact CD1-CG2 3.82Å; L73-I108 HydrophobicContact CD2-CD1 3.95Å; L73-I108 HydrophobicContact CD2-CG1 4.48Å; L73-I108 HydrophobicContact CG-CD1 4.13Å; L73-I108 HydrophobicContact CG-CG1 4.15Å; L73-I108 HydrophobicContact CG-CG2 4.38Å; C74-I108 PolarHBondContact O-N 2.89Å; V75-I108 HydrophobicContact CG2-CD1 4.26Å; V75-I108 HydrophobicContact CG2-CG1 4.39Å; L76-I108 VanDerWaalsContact CB-O 3.32Å; L76-I108 WeakPolarHBondContact CB-O 3.2Å; L76-I108 PolarHBondContact N-O 2.82Å; I108-A127 HydrophobicContact CB-CB 4.46Å; I108-A127 HydrophobicContact CG2-CB 3.87Å; I108-L130 HydrophobicContact CG2-CD2 4.2Å; I108-L154 HydrophobicContact CD1-CD1 3.3Å; I108-L154 HydrophobicContact CD1-CD2 3.96Å; I108-L154 HydrophobicContact CD1-CG 4.27Å
109R89.4Confident84.7Confident103 Ų10362 Ų6239%0.38932%0.32SS..EExtended strand (participates in β ladder)trans-118.1126.7176.5-178.4177.5-178-175-1.3110.1L76 I124 V125L76-R109 HydrophobicContact CB-CB 4.32Å; R109-I124 CarbonylContact O-C 3.52Å; R109-I124 WeakPolarHBondContact O-CA 3.42Å; R109-V125 HydrophobicContact CB-CB 4.2Å; R109-V125 PolarHBondContact N-O 3.2Å; R109-V125 PolarHBondContact O-N 2.75Å
110L83.9Confident83.8Confident19 Ų1965.9 Ų65.910%0.09934%0.338CS..EExtended strand (participates in β ladder)trans-112.8137.4172-64.7178.9000109V75 L76 L122 I124 T150 L154V75-L110 HydrophobicContact CG1-CB 4.13Å; V75-L110 HydrophobicContact CG1-CD1 3.75Å; V75-L110 HydrophobicContact CG1-CG 4Å; L76-L110 PolarHBondContact O-N 2.9Å; L110-L122 HydrophobicContact CB-CD1 4.27Å; L110-L122 HydrophobicContact CD2-CD1 4.23Å; L110-L122 HydrophobicContact CD2-CD2 4.07Å; L110-L122 HydrophobicContact CD2-CG 4.15Å; L110-I124 HydrophobicContact CD2-CB 3.78Å; L110-I124 HydrophobicContact CD2-CD1 3.9Å; L110-I124 HydrophobicContact CD2-CG1 3.41Å; L110-I124 VanDerWaalsContact CD2-CG1 3.41Å; L110-I124 HydrophobicContact CD2-CG2 3.55Å; L110-T150 HydrophobicContact CB-CG2 4.36Å; L110-T150 HydrophobicContact CD1-CG2 3.58Å; L110-L154 HydrophobicContact CD1-CB 4.13Å; L110-L154 HydrophobicContact CD1-CD1 4.4Å; L110-L154 HydrophobicContact CD1-CD2 3.98Å; L110-L154 HydrophobicContact CD1-CG 4.39Å
111K77Confident82.6Confident118 Ų11867.9 Ų67.951%0.51335%0.346SS..EExtended strand (participates in β ladder)trans-120.8119.2168.8-166.6-178.9-179.1-172.30108.5H123K111-H123 PolarHBondContact N-O 3.27Å; K111-H123 PolarHBondContact O-N 3.18Å
112S71.6Confident81.5Confident16 Ų1669.5 Ų69.511%0.11236%0.355CS..EExtended strand (participates in β ladder)trans-1397.8-175.1650000114.5S118 T119 T150S112-S118 CarbonylContact O-C 3.54Å; S112-S118 VanDerWaalsContact O-CA 3.27Å; S112-S118 WeakPolarHBondContact O-CA 3.36Å; S112-S118 PolarHBondContact O-OG 2.67Å; S112-T119 VanDerWaalsContact C-OG1 3.26Å; S112-T119 WeakPolarHBondContact CA-OG1 3.45Å; S112-T119 PolarHBondContact O-N 2.82Å; S112-T119 PolarHBondContact O-OG1 2.9Å; S112-T150 WeakPolarHBondContact CB-OG1 3.29Å; S112-T150 PolarHBondContact OG-OG1 3.01Å
113Y72.3Confident80.4Confident71 Ų7172.2 Ų72.228%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-142.5148.8-176.7-73.2-93.5000112.2Q117 D146Y113-Q117 WeakPolarHBondContact CA-O 3.47Å; Y113-Q117 VanDerWaalsContact CD1-C 3.44Å; Y113-Q117 VanDerWaalsContact CD1-O 3.31Å; Y113-Q117 WeakPolarHBondContact CD1-O 3.45Å; Y113-D146 VanDerWaalsContact OH-CB 3.24Å; Y113-D146 WeakPolarHBondContact OH-CB 3.32Å; Y113-D146 PolarHBondContact OH-OD2 3.41Å
114V73.8Confident79.4Confident64 Ų6471.6 Ų71.639%0.38836%0.36SS..EExtended strand (participates in β ladder)trans-137.7130.8162.8177.10000106.7D116 Q117 T119 V226V114-D116 PolarHBondContact O-N 3.17Å; V114-Q117 PolarHBondContact N-O 2.96Å; V114-Q117 PolarHBondContact O-N 2.87Å; V114-T119 HydrophobicContact CB-CG2 4.44Å; V114-T119 HydrophobicContact CG2-CG2 3.98Å; V114-V226 HydrophobicContact CG1-CG2 4.06Å
115N84.9Confident78.4Confident29 Ų2973.2 Ų73.216%0.15537%0.367CS..THydrogen-bonded Turntrans55.3-126.8-167.9-61.2-53.2000111.1Y203 N204 V226N115-Y203 HydrophobicContact CB-CE2 4.36Å; N115-N204 WeakPolarHBondContact CA-OD1 3.32Å; N115-N204 PolarHBondContact N-OD1 3.38Å; N115-N204 VanDerWaalsContact N-OD1 3.12Å; N115-N204 PolarHBondContact OD1-ND2 3.3Å; N115-V226 PolarHBondContact ND2-O 3.15Å; N115-V226 PolarHBondContact OD1-N 3.35Å; N115-V226 PolarHBondContact OD1-O 3.03Å
116D77.1Confident77Confident66 Ų6673 Ų7335%0.35338%0.376SS..THydrogen-bonded Turntrans-1049.1179.765.4-15.2000113.6V114 F195 Y203V114-D116 PolarHBondContact O-N 3.17Å; D116-F195 HydrophobicContact CB-CD2 3.66Å; D116-F195 HydrophobicContact CB-CE2 3.74Å; D116-F195 HydrophobicContact CB-CG 4.48Å; D116-Y203 HydrophobicContact CB-CE2 4.49Å
117Q76.3Confident75.8Confident125 Ų12570.5 Ų70.558%0.58436%0.364SS*.EExtended strand (participates in β ladder)trans-111.7139.6-176.7-58.4-56.8-42.800111.8Y113 V114Y113-Q117 WeakPolarHBondContact CA-O 3.47Å; Y113-Q117 VanDerWaalsContact CD1-C 3.44Å; Y113-Q117 VanDerWaalsContact CD1-O 3.31Å; Y113-Q117 WeakPolarHBondContact CD1-O 3.45Å; V114-Q117 PolarHBondContact N-O 2.96Å; V114-Q117 PolarHBondContact O-N 2.87Å
118S71.4Confident74.9Confident46 Ų4673.7 Ų73.732%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-74.7139.3173.5-1750000110.6S112S112-S118 CarbonylContact O-C 3.54Å; S112-S118 VanDerWaalsContact O-CA 3.27Å; S112-S118 WeakPolarHBondContact O-CA 3.36Å; S112-S118 PolarHBondContact O-OG 2.67Å
119T71.9Confident74.4Confident54 Ų5478.2 Ų78.233%0.33140%0.404SS..EExtended strand (participates in β ladder)trans-91.2152.8175.260.40000111.2S112 V114 D121S112-T119 VanDerWaalsContact C-OG1 3.26Å; S112-T119 WeakPolarHBondContact CA-OG1 3.45Å; S112-T119 PolarHBondContact O-N 2.82Å; S112-T119 PolarHBondContact O-OG1 2.9Å; V114-T119 HydrophobicContact CB-CG2 4.44Å; V114-T119 HydrophobicContact CG2-CG2 3.98Å; T119-D121 PolarHBondContact OG1-O 2.72Å
120E65.4Low74.5Confident197 Ų19773.3 Ų73.392%0.92139%0.386SS*.EExtended strand (participates in β ladder)trans-75.3-30.9176.1-62.7-164.6156.800112.6L122E120-L122 PolarHBondContact O-N 2.94Å
121D63Low74.9Confident112 Ų11275.1 Ų75.160%0.59940%0.4SS*.EExtended strand (participates in β ladder)trans-86.2104.3179.8-64.8-38.8000111.1T119 H123T119-D121 PolarHBondContact OG1-O 2.72Å; D121-H123 PolarHBondContact O-N 3.33Å
122L68.1Low75.7Confident40 Ų4073.3 Ų73.321%0.20939%0.392CS..EExtended strand (participates in β ladder)trans-83.1103.6169.1-172.475.3000109.4L110 E120 I124 T150 T153L110-L122 HydrophobicContact CB-CD1 4.27Å; L110-L122 HydrophobicContact CD2-CD1 4.23Å; L110-L122 HydrophobicContact CD2-CD2 4.07Å; L110-L122 HydrophobicContact CD2-CG 4.15Å; E120-L122 PolarHBondContact O-N 2.94Å; L122-I124 HydrophobicContact CD2-CD1 4.31Å; L122-I124 HydrophobicContact CD2-CG1 4.24Å; L122-I124 HydrophobicContact CG-CG1 4.37Å; L122-T150 HydrophobicContact CD1-CG2 3.8Å; L122-T153 HydrophobicContact CD2-CG2 3.48Å; L122-T153 VanDerWaalsContact CD2-CG2 3.48Å
123H70.6Confident76.8Confident116 Ų11672.5 Ų72.554%0.53739%0.387SS..EExtended strand (participates in β ladder)trans-89114.9172.5-65.5-74.5000110.2K111 D121K111-H123 PolarHBondContact N-O 3.27Å; K111-H123 PolarHBondContact O-N 3.18Å; D121-H123 PolarHBondContact O-N 3.33Å
124I73.2Confident78Confident42 Ų4272.5 Ų72.522%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-95.4109.6173.1-38.6-168.8000108.8R109 L110 L122 A127 H157R109-I124 CarbonylContact O-C 3.52Å; R109-I124 WeakPolarHBondContact O-CA 3.42Å; L110-I124 HydrophobicContact CD2-CB 3.78Å; L110-I124 HydrophobicContact CD2-CD1 3.9Å; L110-I124 HydrophobicContact CD2-CG1 3.41Å; L110-I124 VanDerWaalsContact CD2-CG1 3.41Å; L110-I124 HydrophobicContact CD2-CG2 3.55Å; L122-I124 HydrophobicContact CD2-CD1 4.31Å; L122-I124 HydrophobicContact CD2-CG1 4.24Å; L122-I124 HydrophobicContact CG-CG1 4.37Å; I124-A127 HydrophobicContact CB-CB 4.38Å; I124-A127 HydrophobicContact CG2-CB 3.25Å; I124-H157 HydrophobicContact CD1-CB 4.26Å
125V75.9Confident79.1Confident88 Ų8871.7 Ų71.753%0.53340%0.399SS..EExtended strand (participates in β ladder)trans-101.3132.6176.91800000108.9R109R109-V125 HydrophobicContact CB-CB 4.2Å; R109-V125 PolarHBondContact N-O 3.2Å; R109-V125 PolarHBondContact O-N 2.75Å
126G69.2Low79.7Confident54 Ų5474.8 Ų74.856%0.55741%0.411SS*.SBendtrans78.818.3-179.900000114.6
127A69.6Low80.7Confident2 Ų272.1 Ų72.12%0.01740%0.397CS..  trans-126.124.7175.600000113.1I108 I124 D129 L130 H157I108-A127 HydrophobicContact CB-CB 4.46Å; I108-A127 HydrophobicContact CG2-CB 3.87Å; I124-A127 HydrophobicContact CB-CB 4.38Å; I124-A127 HydrophobicContact CG2-CB 3.25Å; A127-D129 VanDerWaalsContact C-N 3.28Å; A127-D129 PolarHBondContact O-N 2.79Å; A127-L130 HydrophobicContact CB-CD1 4.15Å; A127-L130 HydrophobicContact CB-CD2 4.01Å; A127-L130 HydrophobicContact CB-CG 4.14Å; A127-H157 PolarHBondContact O-NE2 2.96Å
128E75.6Confident81.7Confident182 Ų18266.3 Ų66.385%0.8537%0.37SS*.SBendtrans-63.2-38179.1-66172.1-169.200111.2
129D83.1Confident83Confident98 Ų9864.2 Ų64.252%0.52436%0.355SS..  trans-126.5116.1170.6-175.718.1000110.9A127 S131A127-D129 VanDerWaalsContact C-N 3.28Å; A127-D129 PolarHBondContact O-N 2.79Å; D129-S131 VanDerWaalsContact CG-OG 3.28Å; D129-S131 WeakPolarHBondContact OD1-CA 3.22Å; D129-S131 WeakPolarHBondContact OD1-CB 3.44Å; D129-S131 PolarHBondContact OD1-N 2.82Å; D129-S131 PolarHBondContact OD1-OG 2.86Å; D129-S131 PolarHBondContact OD2-OG 3.19Å
130L90.8Very high84.2Confident0 Ų061.6 Ų61.60%034%0.339CS..  trans-11325.2172.3-58.7180000111.7I108 A127 F132 L133 V158 F161I108-L130 HydrophobicContact CG2-CD2 4.2Å; A127-L130 HydrophobicContact CB-CD1 4.15Å; A127-L130 HydrophobicContact CB-CD2 4.01Å; A127-L130 HydrophobicContact CB-CG 4.14Å; L130-F132 HydrophobicContact CB-CE1 4.38Å; L130-F132 HydrophobicContact CD2-CE1 3.68Å; L130-F132 HydrophobicContact CD2-CZ 3.82Å; L130-F132 PolarHBondContact O-N 3.24Å; L130-F132 VanDerWaalsContact O-N 3.07Å; L130-L133 HydrophobicContact CB-CD1 3.82Å; L130-L133 HydrophobicContact CB-CG 4.15Å; L130-L133 HydrophobicContact CD1-CD1 4.01Å; L130-L133 HydrophobicContact CG-CD1 4.36Å; L130-L133 VanDerWaalsContact O-CB 3.28Å; L130-L133 WeakPolarHBondContact O-CB 3.28Å; L130-L133 WeakPolarHBondContact O-CG 3.04Å; L130-L133 PolarHBondContact O-N 3.23Å; L130-V158 HydrophobicContact CD1-CG2 3.98Å; L130-F161 HydrophobicContact CB-CB 4.5Å; L130-F161 HydrophobicContact CB-CD1 4.09Å; L130-F161 HydrophobicContact CB-CD2 3.69Å; L130-F161 HydrophobicContact CB-CE1 4.19Å; L130-F161 HydrophobicContact CB-CE2 3.81Å; L130-F161 HydrophobicContact CB-CG 3.83Å; L130-F161 HydrophobicContact CB-CZ 4.05Å; L130-F161 HydrophobicContact CD1-CD2 4.38Å; L130-F161 HydrophobicContact CD1-CE2 4.33Å; L130-F161 HydrophobicContact CG-CD2 4.43Å; L130-F161 HydrophobicContact CG-CE2 4.21Å; L130-F161 VanDerWaalsContact N-CE1 3.27Å
131S92.3Very high85.7Confident58 Ų5852.2 Ų52.241%0.40630%0.295SS..G310 helixtrans-54.5-28.1-179.959.10000113.6D129 L133 T134D129-S131 VanDerWaalsContact CG-OG 3.28Å; D129-S131 WeakPolarHBondContact OD1-CA 3.22Å; D129-S131 WeakPolarHBondContact OD1-CB 3.44Å; D129-S131 PolarHBondContact OD1-N 2.82Å; D129-S131 PolarHBondContact OD1-OG 2.86Å; D129-S131 PolarHBondContact OD2-OG 3.19Å; S131-L133 PolarHBondContact O-N 3.28Å; S131-L133 VanDerWaalsContact O-N 3.13Å; S131-T134 VanDerWaalsContact O-CB 3.32Å; S131-T134 WeakPolarHBondContact O-CB 3.13Å; S131-T134 PolarHBondContact O-N 2.94Å; S131-T134 PolarHBondContact O-OG1 3.45Å
132F92.7Very high87.2Confident79 Ų7947.7 Ų47.735%0.34627%0.27SS..G310 helixtrans-62.1-1517468.4-90.4000114.2V71 N106 L130 K136V71-F132 HydrophobicContact CG1-CD2 4.39Å; V71-F132 HydrophobicContact CG1-CE2 4.02Å; N106-F132 HydrophobicContact CB-CE2 3.85Å; N106-F132 HydrophobicContact CB-CZ 3.96Å; L130-F132 HydrophobicContact CB-CE1 4.38Å; L130-F132 HydrophobicContact CD2-CE1 3.68Å; L130-F132 HydrophobicContact CD2-CZ 3.82Å; L130-F132 PolarHBondContact O-N 3.24Å; L130-F132 VanDerWaalsContact O-N 3.07Å; F132-K136 WeakPolarHBondContact O-CG 3.19Å
133L96Very high88.6Confident0 Ų045.9 Ų45.90%026%0.261CS..G310 helixtrans-83.5-11.8174.6-57.5-176.4000113.4V71 L73 L130 S131 G135 K136 V138 V158 P163V71-L133 HydrophobicContact CB-CD2 4Å; V71-L133 HydrophobicContact CG1-CD2 3.62Å; V71-L133 HydrophobicContact CG2-CD2 4.38Å; L73-L133 HydrophobicContact CD2-CD1 4.25Å; L130-L133 HydrophobicContact CB-CD1 3.82Å; L130-L133 HydrophobicContact CB-CG 4.15Å; L130-L133 HydrophobicContact CD1-CD1 4.01Å; L130-L133 HydrophobicContact CG-CD1 4.36Å; L130-L133 VanDerWaalsContact O-CB 3.28Å; L130-L133 WeakPolarHBondContact O-CB 3.28Å; L130-L133 WeakPolarHBondContact O-CG 3.04Å; L130-L133 PolarHBondContact O-N 3.23Å; S131-L133 PolarHBondContact O-N 3.28Å; S131-L133 VanDerWaalsContact O-N 3.13Å; L133-G135 PolarHBondContact O-N 3.44Å; L133-K136 WeakPolarHBondContact O-CB 3.26Å; L133-K136 PolarHBondContact O-N 2.79Å; L133-V138 HydrophobicContact CB-CG2 4.15Å; L133-V138 HydrophobicContact CD1-CG1 4.48Å; L133-V138 HydrophobicContact CD1-CG2 4.38Å; L133-V138 HydrophobicContact CD2-CG1 4.31Å; L133-V138 HydrophobicContact CD2-CG2 3.88Å; L133-V138 HydrophobicContact CG-CG2 4.37Å; L133-V158 HydrophobicContact CD1-CG1 3.82Å; L133-V158 HydrophobicContact CD1-CG2 4.41Å; L133-P163 WeakPolarHBondContact O-CA 3.35Å
134T97.3Very high89.7Confident71 Ų7142.4 Ų42.444%0.43625%0.246SC..THydrogen-bonded Turntrans-57123.2-175.5-53.20000111.2S131 K136 F161S131-T134 VanDerWaalsContact O-CB 3.32Å; S131-T134 WeakPolarHBondContact O-CB 3.13Å; S131-T134 PolarHBondContact O-N 2.94Å; S131-T134 PolarHBondContact O-OG1 3.45Å; T134-K136 PolarHBondContact O-N 2.94Å; T134-F161 WeakPolarHBondContact CA-O 3.49Å; T134-F161 PolarHBondContact OG1-O 3.45Å
135G97.4Very high90.6Very high46 Ų4640.7 Ų40.747%0.47424%0.237SC..THydrogen-bonded Turntrans66.411-179.400000115.3L133 R162 K164L133-G135 PolarHBondContact O-N 3.44Å; G135-R162 PolarHBondContact N-O 3.32Å; G135-K164 WeakPolarHBondContact O-CB 3.49Å
136K97.1Very high91.2Very high95 Ų9537.9 Ų37.941%0.41322%0.219SC..  trans-95.8156.5177.4-59.1-60.9-173.2174.10111.9V71 F132 L133 T134 P163 K164 M165V71-K136 HydrophobicContact CG2-CB 3.89Å; V71-K136 HydrophobicContact CG2-CG 4.02Å; F132-K136 WeakPolarHBondContact O-CG 3.19Å; L133-K136 WeakPolarHBondContact O-CB 3.26Å; L133-K136 PolarHBondContact O-N 2.79Å; T134-K136 PolarHBondContact O-N 2.94Å; K136-P163 CarbonylContact O-C 3.58Å; K136-P163 WeakPolarHBondContact O-CB 3.41Å; K136-K164 PolarHBondContact O-N 3.08Å; K136-M165 PolarHBondContact O-N 2.99Å
137N97.7Very high91.9Very high10 Ų1036.9 Ų36.95%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-83.8126.4165.3-49.3-59.1000107.9H68 D69 I70 V71 K164 M165H68-N137 WeakPolarHBondContact CB-ND2 3.26Å; D69-N137 PolarHBondContact O-ND2 2.97Å; I70-N137 CarbonylContact C-O 3.58Å; I70-N137 WeakPolarHBondContact CA-O 3.48Å; I70-N137 HydrophobicContact CG2-CB 4.15Å; V71-N137 PolarHBondContact N-O 2.81Å; N137-K164 WeakPolarHBondContact OD1-CD 3.5Å; N137-M165 HydrophobicContact CB-CB 4.25Å
138V97.9Very high92.6Very high3 Ų337 Ų372%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-114.1126.1-173.9-173.80000109.2V71 L73 L133 I140 P163 M165 I166 K167V71-V138 WeakPolarHBondContact O-CA 3.38Å; L73-V138 HydrophobicContact CB-CG1 4.14Å; L73-V138 HydrophobicContact CD2-CG1 4.47Å; L133-V138 HydrophobicContact CB-CG2 4.15Å; L133-V138 HydrophobicContact CD1-CG1 4.48Å; L133-V138 HydrophobicContact CD1-CG2 4.38Å; L133-V138 HydrophobicContact CD2-CG1 4.31Å; L133-V138 HydrophobicContact CD2-CG2 3.88Å; L133-V138 HydrophobicContact CG-CG2 4.37Å; V138-I140 HydrophobicContact CG1-CG1 4.14Å; V138-P163 HydrophobicContact CG2-CB 3.67Å; V138-M165 PolarHBondContact N-O 2.96Å; V138-I166 CarbonylContact O-C 3.53Å; V138-I166 WeakPolarHBondContact O-CA 3.21Å; V138-K167 PolarHBondContact O-N 3.45Å
139L98.1Very high93Very high1 Ų134.6 Ų34.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-106.8102.8170.3178.366.2000108.7I61 I70 V71 V72 L73 V141 K167 A169 Y186I61-L139 HydrophobicContact CD1-CD1 4.46Å; I61-L139 HydrophobicContact CD1-CD2 4.06Å; I61-L139 HydrophobicContact CG2-CD2 4.1Å; I70-L139 HydrophobicContact CD1-CB 4.26Å; I70-L139 HydrophobicContact CD1-CD2 4.12Å; V71-L139 PolarHBondContact O-N 2.84Å; V72-L139 CarbonylContact C-O 3.58Å; V72-L139 WeakPolarHBondContact CA-O 3.01Å; V72-L139 HydrophobicContact CG2-CD2 4.49Å; L73-L139 PolarHBondContact N-O 3.39Å; L139-V141 HydrophobicContact CD2-CG2 4.4Å; L139-V141 HydrophobicContact CG-CG2 4.18Å; L139-K167 CarbonylContact C-O 3.54Å; L139-K167 WeakPolarHBondContact CA-O 3.44Å; L139-K167 HydrophobicContact CD1-CB 4.06Å; L139-A169 HydrophobicContact CD1-CB 4.18Å; L139-Y186 HydrophobicContact CD1-CD2 4.15Å; L139-Y186 HydrophobicContact CD1-CE2 4.05Å
140I97.4Very high93.1Very high0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-78.2131173.5-59.8176.3000108.5L73 V75 V138 L154 L155 V158 I166 K167 V168 A169L73-I140 HydrophobicContact CB-CG1 4.43Å; L73-I140 HydrophobicContact CD2-CG1 4.37Å; L73-I140 WeakPolarHBondContact O-CA 3.03Å; V75-I140 HydrophobicContact CG2-CG2 3.9Å; V138-I140 HydrophobicContact CG1-CG1 4.14Å; I140-L154 HydrophobicContact CD1-CD2 4.11Å; I140-L154 HydrophobicContact CD1-CG 4.23Å; I140-L154 HydrophobicContact CG2-CD2 3.69Å; I140-L155 HydrophobicContact CD1-CD2 3.88Å; I140-V158 HydrophobicContact CD1-CG2 4.27Å; I140-I166 HydrophobicContact CD1-CG2 3.78Å; I140-I166 HydrophobicContact CG1-CG2 4.24Å; I140-K167 PolarHBondContact N-O 2.78Å; I140-V168 HydrophobicContact CB-CG1 4.48Å; I140-V168 HydrophobicContact CB-CG2 4.33Å; I140-V168 WeakPolarHBondContact O-CA 3.38Å; I140-A169 PolarHBondContact O-N 2.87Å
141V97.9Very high93Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-117.8116.4178.8-174.20000109.9V72 L73 V75 F82 C83 L86 L139V72-V141 HydrophobicContact CG1-CG2 3.77Å; L73-V141 PolarHBondContact O-N 3.26Å; V75-V141 PolarHBondContact N-O 3.23Å; F82-V141 HydrophobicContact CD1-CG1 3.36Å; F82-V141 HydrophobicContact CE1-CG1 3.59Å; F82-V141 HydrophobicContact CG-CG1 4.21Å; C83-V141 HydrophobicContact CB-CB 4.17Å; C83-V141 HydrophobicContact CB-CG1 3.82Å; L86-V141 HydrophobicContact CD2-CG1 4.36Å; L86-V141 HydrophobicContact CD2-CG2 4.1Å; L139-V141 HydrophobicContact CD2-CG2 4.4Å; L139-V141 HydrophobicContact CG-CG2 4.18Å
142E94.5Very high92.9Very high16 Ų1632.8 Ų32.88%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-126.9141.7-176.7-171.5161.2-14500111V75 A169 G170 L171V75-E142 HydrophobicContact CG2-CB 4.37Å; E142-A169 PolarHBondContact N-O 3.22Å; E142-G170 WeakPolarHBondContact O-CA 3.45Å; E142-L171 PolarHBondContact O-N 3.17Å; E142-L171 VanDerWaalsContact O-N 3.07Å
143A95.8Very high92.6Very high3 Ų332.2 Ų32.23%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-75.4-39.1-177.600000112.8A78 L171 L172 L201A78-A143 HydrophobicContact CB-CB 3.83Å; A78-A143 WeakPolarHBondContact O-CB 3.42Å; A143-L171 WeakPolarHBondContact O-CB 3.25Å; A143-L172 PolarHBondContact O-N 3.4Å; A143-L201 HydrophobicContact CB-CD2 3.8Å; A143-L201 HydrophobicContact CB-CG 4.47Å
144I94.3Very high92.3Very high43 Ų4332.2 Ų32.222%0.22118%0.176CC..EExtended strand (participates in β ladder)trans-149.4130.6-175.8-172.9164.4000111.8L172 K174 V196 L201I144-L172 CarbonylContact C-O 3.6Å; I144-L172 WeakPolarHBondContact CA-O 3.41Å; I144-L172 HydrophobicContact CB-CB 4.12Å; I144-L172 HydrophobicContact CD1-CB 4.23Å; I144-L172 HydrophobicContact CD1-CD1 4.11Å; I144-L172 HydrophobicContact CG1-CB 3.87Å; I144-K174 HydrophobicContact CD1-CD 4.25Å; I144-K174 HydrophobicContact CD1-CG 4.16Å; I144-V196 HydrophobicContact CD1-CG2 4.12Å; I144-L201 HydrophobicContact CB-CD2 4.02Å; I144-L201 HydrophobicContact CG2-CD2 3.6Å
145V91.8Very high92.1Very high5 Ų530 Ų303%0.0316%0.161CC..EExtended strand (participates in β ladder)trans-105.4111.7168.7-175.90000108.2M151 L172 V173 K174 P184V145-M151 HydrophobicContact CG1-CE 4.13Å; V145-M151 HydrophobicContact CG2-SD 4.08Å; V145-L172 PolarHBondContact N-O 3.06Å; V145-V173 HydrophobicContact CB-CG2 4.3Å; V145-V173 WeakPolarHBondContact O-CA 3.29Å; V145-K174 PolarHBondContact O-N 3.39Å; V145-P184 HydrophobicContact CG2-CG 3.76Å
146D88.7Confident91.8Very high29 Ų2934 Ų3416%0.15517%0.165CC..SBendtrans-93-102177-173.45.8000110.2Y113 G148 K174Y113-D146 VanDerWaalsContact OH-CB 3.24Å; Y113-D146 WeakPolarHBondContact OH-CB 3.32Å; Y113-D146 PolarHBondContact OH-OD2 3.41Å; D146-G148 PolarHBondContact O-N 3.2Å; D146-K174 HydrophobicContact CB-CD 4.12Å; D146-K174 WeakPolarHBondContact OD1-CD 3.32Å
147T83.6Confident91.5Very high33 Ų3332 Ų3220%0.20216%0.157CC..SBendtrans-70.1-13.5175.662.90000113.9K149 S180T147-K149 VanDerWaalsContact C-N 3.25Å; T147-K149 PolarHBondContact O-N 3.47Å; T147-K149 WeakPolarHBondContact OG1-CG 3.38Å; T147-K149 PolarHBondContact OG1-N 2.82Å; T147-S180 PolarHBondContact O-N 3.04Å; T147-S180 PolarHBondContact O-OG 3.26Å
148G85Confident91.3Very high5 Ų531.6 Ų31.65%0.05216%0.155CC..SBendtrans73.88.2-174.800000114.7D146 K152 S180D146-G148 PolarHBondContact O-N 3.2Å; G148-K152 VanDerWaalsContact O-CB 3.26Å; G148-K152 WeakPolarHBondContact O-CB 3.42Å; G148-K152 PolarHBondContact O-N 3.29Å; G148-S180 PolarHBondContact O-OG 2.85Å
149K84.5Confident91.2Very high131 Ų13136.6 Ų36.657%0.5718%0.178SC*.Hα-helixtrans-65.1-49.4175.8-71.5179.8-180-178.90111.8T147 M151 K152 T153T147-K149 VanDerWaalsContact C-N 3.25Å; T147-K149 PolarHBondContact O-N 3.47Å; T147-K149 WeakPolarHBondContact OG1-CG 3.38Å; T147-K149 PolarHBondContact OG1-N 2.82Å; K149-M151 PolarHBondContact O-N 3.3Å; K149-K152 PolarHBondContact O-N 3.12Å; K149-T153 PolarHBondContact O-N 3.07Å; K149-T153 PolarHBondContact O-OG1 3.46Å
150T84.5Confident91.1Very high16 Ų1640.1 Ų40.110%0.09821%0.207CC..Hα-helixtrans-55.6-53.3178.5-60.30000111.4L110 S112 L122 K152 T153 L154L110-T150 HydrophobicContact CB-CG2 4.36Å; L110-T150 HydrophobicContact CD1-CG2 3.58Å; S112-T150 WeakPolarHBondContact CB-OG1 3.29Å; S112-T150 PolarHBondContact OG-OG1 3.01Å; L122-T150 HydrophobicContact CD1-CG2 3.8Å; T150-K152 PolarHBondContact O-N 2.89Å; T150-T153 PolarHBondContact O-N 3.15Å; T150-L154 WeakPolarHBondContact O-CB 2.91Å; T150-L154 PolarHBondContact O-N 3.37Å
151M89.1Confident91Very high2 Ų242 Ų421%0.0122%0.216CC..Hα-helixtrans-60.5-42.8178.3-172-177.660.800112.1V145 K149 T153 L154 L155 V168 C182 P184V145-M151 HydrophobicContact CG1-CE 4.13Å; V145-M151 HydrophobicContact CG2-SD 4.08Å; K149-M151 PolarHBondContact O-N 3.3Å; M151-T153 VanDerWaalsContact C-N 3.33Å; M151-T153 PolarHBondContact O-N 3.29Å; M151-L154 PolarHBondContact O-N 2.72Å; M151-L155 HydrophobicContact CG-CD1 4.01Å; M151-L155 HydrophobicContact CG-CG 4.28Å; M151-L155 WeakPolarHBondContact O-CB 3.34Å; M151-L155 VanDerWaalsContact O-CG 3.29Å; M151-L155 WeakPolarHBondContact O-CG 3.37Å; M151-L155 PolarHBondContact O-N 3.14Å; M151-V168 HydrophobicContact SD-CB 4.35Å; M151-V168 HydrophobicContact SD-CG1 3.79Å; M151-V168 HydrophobicContact SD-CG2 4.25Å; M151-C182 HydrophobicContact CE-CB 3.43Å; M151-C182 VanDerWaalsContact CE-CB 3.43Å; M151-C182 WeakPolarHBondContact CE-O 3.26Å; M151-C182 WeakPolarHBondContact CE-SG 3.45Å; M151-P184 HydrophobicContact SD-CG 4.35Å
152K88.9Confident91Very high101 Ų10151.2 Ų51.244%0.43925%0.25SS..Hα-helixtrans-60.1-41.4177.5-177.4174.5-176.9172.20112.5G148 K149 T150 K156G148-K152 VanDerWaalsContact O-CB 3.26Å; G148-K152 WeakPolarHBondContact O-CB 3.42Å; G148-K152 PolarHBondContact O-N 3.29Å; K149-K152 PolarHBondContact O-N 3.12Å; T150-K152 PolarHBondContact O-N 2.89Å; K152-K156 WeakPolarHBondContact O-CG 3.44Å; K152-K156 PolarHBondContact O-N 2.99Å
153T87.6Confident91.1Very high67 Ų6751.6 Ų51.641%0.41125%0.254SS..Hα-helixtrans-70.3-42.2177-58.70000111.3L122 K149 T150 M151 K156 H157L122-T153 HydrophobicContact CD2-CG2 3.48Å; L122-T153 VanDerWaalsContact CD2-CG2 3.48Å; K149-T153 PolarHBondContact O-N 3.07Å; K149-T153 PolarHBondContact O-OG1 3.46Å; T150-T153 PolarHBondContact O-N 3.15Å; M151-T153 VanDerWaalsContact C-N 3.33Å; M151-T153 PolarHBondContact O-N 3.29Å; T153-K156 PolarHBondContact O-N 2.77Å; T153-H157 PolarHBondContact O-N 2.79Å
154L89.7Confident91.2Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-60.2-46.8176.2175.260.7000111.7V75 I108 L110 I140 T150 M151 K156 H157 V158V75-L154 HydrophobicContact CG2-CD2 3.75Å; I108-L154 HydrophobicContact CD1-CD1 3.3Å; I108-L154 HydrophobicContact CD1-CD2 3.96Å; I108-L154 HydrophobicContact CD1-CG 4.27Å; L110-L154 HydrophobicContact CD1-CB 4.13Å; L110-L154 HydrophobicContact CD1-CD1 4.4Å; L110-L154 HydrophobicContact CD1-CD2 3.98Å; L110-L154 HydrophobicContact CD1-CG 4.39Å; I140-L154 HydrophobicContact CD1-CD2 4.11Å; I140-L154 HydrophobicContact CD1-CG 4.23Å; I140-L154 HydrophobicContact CG2-CD2 3.69Å; T150-L154 WeakPolarHBondContact O-CB 2.91Å; T150-L154 PolarHBondContact O-N 3.37Å; M151-L154 PolarHBondContact O-N 2.72Å; L154-K156 PolarHBondContact O-N 3.44Å; L154-H157 WeakPolarHBondContact O-CB 3.43Å; L154-H157 PolarHBondContact O-N 3.09Å; L154-H157 VanDerWaalsContact O-N 3.15Å; L154-V158 HydrophobicContact CD1-CG2 3.88Å; L154-V158 HydrophobicContact CG-CG2 4.34Å; L154-V158 WeakPolarHBondContact O-CG2 3.41Å; L154-V158 PolarHBondContact O-N 3.31Å
155L92.4Very high91.3Very high24 Ų2458.9 Ų58.913%0.12629%0.285CS..Hα-helixtrans-57.9-49.6178.4-75171.5000111.1I140 M151 H157 V158 E159 I166 V168 C182I140-L155 HydrophobicContact CD1-CD2 3.88Å; M151-L155 HydrophobicContact CG-CD1 4.01Å; M151-L155 HydrophobicContact CG-CG 4.28Å; M151-L155 WeakPolarHBondContact O-CB 3.34Å; M151-L155 VanDerWaalsContact O-CG 3.29Å; M151-L155 WeakPolarHBondContact O-CG 3.37Å; M151-L155 PolarHBondContact O-N 3.14Å; L155-H157 VanDerWaalsContact C-N 3.27Å; L155-H157 PolarHBondContact O-N 3.29Å; L155-V158 PolarHBondContact O-N 3.01Å; L155-E159 WeakPolarHBondContact O-CB 3.34Å; L155-E159 WeakPolarHBondContact O-CG 3.37Å; L155-E159 PolarHBondContact O-N 3Å; L155-I166 HydrophobicContact CD2-CG2 3.6Å; L155-V168 HydrophobicContact CD2-CG2 3.87Å; L155-C182 WeakPolarHBondContact CD1-SG 3.45Å
156K91.6Very high91.5Very high130 Ų13060.3 Ų60.357%0.56529%0.292SS*.Hα-helixtrans-56.7-41175.5-74.6180175.3-168.60112.8K152 T153 L154 A160K152-K156 WeakPolarHBondContact O-CG 3.44Å; K152-K156 PolarHBondContact O-N 2.99Å; T153-K156 PolarHBondContact O-N 2.77Å; L154-K156 PolarHBondContact O-N 3.44Å; K156-A160 PolarHBondContact O-N 3.01Å
157H90.8Very high91.9Very high54 Ų5461.6 Ų61.625%0.2530%0.297CS..Hα-helixtrans-65.1-46.8178.3-173.567.6000111.5I124 A127 T153 L154 L155 A160 F161I124-H157 HydrophobicContact CD1-CB 4.26Å; A127-H157 PolarHBondContact O-NE2 2.96Å; T153-H157 PolarHBondContact O-N 2.79Å; L154-H157 WeakPolarHBondContact O-CB 3.43Å; L154-H157 PolarHBondContact O-N 3.09Å; L154-H157 VanDerWaalsContact O-N 3.15Å; L155-H157 VanDerWaalsContact C-N 3.27Å; L155-H157 PolarHBondContact O-N 3.29Å; H157-A160 WeakPolarHBondContact O-CB 3.33Å; H157-A160 PolarHBondContact O-N 3.46Å; H157-F161 AromaticContact CE1-CE2 3.91Å; H157-F161 AromaticContact NE2-CE2 3.82Å; H157-F161 VanDerWaalsContact O-CD2 3.25Å; H157-F161 WeakPolarHBondContact O-CD2 3.29Å
158V93.7Very high92.5Very high0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-65.9-41.3178.41730000111.5L73 L130 L133 I140 L154 L155 A160 F161 P163 I166L73-V158 HydrophobicContact CD2-CG2 4.06Å; L130-V158 HydrophobicContact CD1-CG2 3.98Å; L133-V158 HydrophobicContact CD1-CG1 3.82Å; L133-V158 HydrophobicContact CD1-CG2 4.41Å; I140-V158 HydrophobicContact CD1-CG2 4.27Å; L154-V158 HydrophobicContact CD1-CG2 3.88Å; L154-V158 HydrophobicContact CG-CG2 4.34Å; L154-V158 WeakPolarHBondContact O-CG2 3.41Å; L154-V158 PolarHBondContact O-N 3.31Å; L155-V158 PolarHBondContact O-N 3.01Å; V158-A160 PolarHBondContact O-N 3.33Å; V158-F161 PolarHBondContact O-N 3.39Å; V158-F161 VanDerWaalsContact O-N 3.08Å; V158-P163 HydrophobicContact CG1-CG 4.18Å; V158-P163 WeakPolarHBondContact O-CD 3.32Å; V158-I166 HydrophobicContact CB-CD1 4.27Å; V158-I166 HydrophobicContact CG1-CD1 3.73Å; V158-I166 HydrophobicContact CG1-CG1 4.16Å
159E95.3Very high93.1Very high109 Ų10960 Ų6051%0.50929%0.286SS..Hα-helixtrans-57.8-33.7177.3-77.1171179.600112.7L155 F161 R162 I166L155-E159 WeakPolarHBondContact O-CB 3.34Å; L155-E159 WeakPolarHBondContact O-CG 3.37Å; L155-E159 PolarHBondContact O-N 3Å; E159-F161 PolarHBondContact O-N 2.86Å; E159-F161 VanDerWaalsContact O-N 3.17Å; E159-R162 PolarHBondContact O-N 3.23Å; E159-I166 HydrophobicContact CB-CD1 4.4Å; E159-I166 HydrophobicContact CG-CD1 3.45Å; E159-I166 VanDerWaalsContact CG-CD1 3.45Å
160A95.4Very high93.7Very high74 Ų7453.8 Ų53.861%0.61226%0.259SS*.THydrogen-bonded Turntrans-61-24.7178.100000113.2K156 H157 V158 R162K156-A160 PolarHBondContact O-N 3.01Å; H157-A160 WeakPolarHBondContact O-CB 3.33Å; H157-A160 PolarHBondContact O-N 3.46Å; V158-A160 PolarHBondContact O-N 3.33Å; A160-R162 VanDerWaalsContact C-N 3.29Å
161F95.9Very high94.4Very high41 Ų4153 Ų5318%0.1825%0.254CS..THydrogen-bonded Turntrans-88.36.7175.6-63.8-91.2000113.2L130 T134 H157 V158 E159L130-F161 HydrophobicContact CB-CB 4.5Å; L130-F161 HydrophobicContact CB-CD1 4.09Å; L130-F161 HydrophobicContact CB-CD2 3.69Å; L130-F161 HydrophobicContact CB-CE1 4.19Å; L130-F161 HydrophobicContact CB-CE2 3.81Å; L130-F161 HydrophobicContact CB-CG 3.83Å; L130-F161 HydrophobicContact CB-CZ 4.05Å; L130-F161 HydrophobicContact CD1-CD2 4.38Å; L130-F161 HydrophobicContact CD1-CE2 4.33Å; L130-F161 HydrophobicContact CG-CD2 4.43Å; L130-F161 HydrophobicContact CG-CE2 4.21Å; L130-F161 VanDerWaalsContact N-CE1 3.27Å; T134-F161 WeakPolarHBondContact CA-O 3.49Å; T134-F161 PolarHBondContact OG1-O 3.45Å; H157-F161 AromaticContact CE1-CE2 3.91Å; H157-F161 AromaticContact NE2-CE2 3.82Å; H157-F161 VanDerWaalsContact O-CD2 3.25Å; H157-F161 WeakPolarHBondContact O-CD2 3.29Å; V158-F161 PolarHBondContact O-N 3.39Å; V158-F161 VanDerWaalsContact O-N 3.08Å; E159-F161 PolarHBondContact O-N 2.86Å; E159-F161 VanDerWaalsContact O-N 3.17Å
162R96.9Very high94.8Very high193 Ų19352.9 Ų52.973%0.72825%0.253SS*.  trans52.556.7174.1-59.2-179.6-70.4167.9-2.1113.7G135 E159 A160G135-R162 PolarHBondContact N-O 3.32Å; E159-R162 PolarHBondContact O-N 3.23Å; A160-R162 VanDerWaalsContact C-N 3.29Å
163P97.8Very high95.1Very high23 Ų2348.5 Ų48.515%0.14924%0.235CC..  trans-61.9156.7166.430.2-35.5000110.5L133 K136 V138 V158 M165 I166L133-P163 WeakPolarHBondContact O-CA 3.35Å; K136-P163 CarbonylContact O-C 3.58Å; K136-P163 WeakPolarHBondContact O-CB 3.41Å; V138-P163 HydrophobicContact CG2-CB 3.67Å; V158-P163 HydrophobicContact CG1-CG 4.18Å; V158-P163 WeakPolarHBondContact O-CD 3.32Å; P163-M165 VanDerWaalsContact C-N 3.33Å; P163-I166 HydrophobicContact CB-CG1 4.18Å; P163-I166 HydrophobicContact CG-CD1 3.58Å; P163-I166 HydrophobicContact CG-CG1 3.4Å; P163-I166 VanDerWaalsContact CG-CG1 3.4Å
164K97.2Very high95.4Very high138 Ų13846.2 Ų46.260%0.622%0.219SC*.SBendtrans-68-37.6174.6177.3179.6175.5-171.30111.3G135 K136 N137G135-K164 WeakPolarHBondContact O-CB 3.49Å; K136-K164 PolarHBondContact O-N 3.08Å; N137-K164 WeakPolarHBondContact OD1-CD 3.5Å
165M96.8Very high95.5Very high61 Ų6149.6 Ų49.630%0.323%0.232SC..EExtended strand (participates in β ladder)trans-152.3146.8-179-174.9-156.6-6400108.8L65 K136 N137 V138 P163 K167L65-M165 HydrophobicContact CD2-CE 3.95Å; L65-M165 HydrophobicContact CD2-SD 3.47Å; L65-M165 WeakPolarHBondContact CD2-SD 3.38Å; K136-M165 PolarHBondContact O-N 2.99Å; N137-M165 HydrophobicContact CB-CB 4.25Å; V138-M165 PolarHBondContact N-O 2.96Å; P163-M165 VanDerWaalsContact C-N 3.33Å; M165-K167 HydrophobicContact CG-CG 4.35Å; M165-K167 HydrophobicContact SD-CD 4.42Å; M165-K167 HydrophobicContact SD-CG 3.69Å
166I96.9Very high95.2Very high36 Ų3649.5 Ų49.519%0.18523%0.232CC..EExtended strand (participates in β ladder)trans-124.2132.5166.8-52.5170.4000108.1V138 I140 L155 V158 E159 P163V138-I166 CarbonylContact O-C 3.53Å; V138-I166 WeakPolarHBondContact O-CA 3.21Å; I140-I166 HydrophobicContact CD1-CG2 3.78Å; I140-I166 HydrophobicContact CG1-CG2 4.24Å; L155-I166 HydrophobicContact CD2-CG2 3.6Å; V158-I166 HydrophobicContact CB-CD1 4.27Å; V158-I166 HydrophobicContact CG1-CD1 3.73Å; V158-I166 HydrophobicContact CG1-CG1 4.16Å; E159-I166 HydrophobicContact CB-CD1 4.4Å; E159-I166 HydrophobicContact CG-CD1 3.45Å; E159-I166 VanDerWaalsContact CG-CD1 3.45Å; P163-I166 HydrophobicContact CB-CG1 4.18Å; P163-I166 HydrophobicContact CG-CD1 3.58Å; P163-I166 HydrophobicContact CG-CG1 3.4Å; P163-I166 VanDerWaalsContact CG-CG1 3.4Å
167K97Very high94.4Very high56 Ų5649.4 Ų49.424%0.24325%0.245CC..EExtended strand (participates in β ladder)trans-127.1149.6169-70.1-62.5-167.9-176.90109.9L65 V138 L139 I140 M165 D185 Y186L65-K167 HydrophobicContact CD2-CG 4.19Å; V138-K167 PolarHBondContact O-N 3.45Å; L139-K167 CarbonylContact C-O 3.54Å; L139-K167 WeakPolarHBondContact CA-O 3.44Å; L139-K167 HydrophobicContact CD1-CB 4.06Å; I140-K167 PolarHBondContact N-O 2.78Å; M165-K167 HydrophobicContact CG-CG 4.35Å; M165-K167 HydrophobicContact SD-CD 4.42Å; M165-K167 HydrophobicContact SD-CG 3.69Å; K167-D185 WeakPolarHBondContact CA-OD2 3.32Å; K167-D185 HydrophobicContact CD-CB 3.85Å; K167-D185 VanDerWaalsContact CD-OD1 3.26Å; K167-D185 WeakPolarHBondContact CD-OD1 3.24Å; K167-D185 WeakPolarHBondContact CD-OD2 3.04Å; K167-D185 IonicContact NZ-OD1 2.67Å; K167-D185 PolarHBondContact NZ-OD1 3.21Å; K167-Y186 HydrophobicContact CB-CE2 3.92Å; K167-Y186 HydrophobicContact CD-CE2 4.49Å; K167-Y186 HydrophobicContact CG-CE2 4.28Å
168V96.6Very high93.4Very high4 Ų453.6 Ų53.62%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-120.8127.8177.4-171.40000110.9I140 M151 L155 P184 D185 Y186I140-V168 HydrophobicContact CB-CG1 4.48Å; I140-V168 HydrophobicContact CB-CG2 4.33Å; I140-V168 WeakPolarHBondContact O-CA 3.38Å; M151-V168 HydrophobicContact SD-CB 4.35Å; M151-V168 HydrophobicContact SD-CG1 3.79Å; M151-V168 HydrophobicContact SD-CG2 4.25Å; L155-V168 HydrophobicContact CD2-CG2 3.87Å; V168-P184 HydrophobicContact CB-CB 4.24Å; V168-P184 HydrophobicContact CG1-CB 4.12Å; V168-P184 HydrophobicContact CG1-CG 4.42Å; V168-D185 PolarHBondContact N-OD2 2.97Å; V168-D185 PolarHBondContact O-N 3.03Å; V168-Y186 PolarHBondContact O-N 3.27Å
169A97.6Very high92.3Very high0 Ų056.6 Ų56.60%029%0.291CS..EExtended strand (participates in β ladder)trans-104115.7165.100000109.6I61 F82 L86 L139 I140 E142 Y186I61-A169 HydrophobicContact CD1-CB 4.45Å; F82-A169 HydrophobicContact CE1-CB 4.27Å; F82-A169 HydrophobicContact CZ-CB 4.4Å; L86-A169 HydrophobicContact CD2-CB 4.07Å; L139-A169 HydrophobicContact CD1-CB 4.18Å; I140-A169 PolarHBondContact O-N 2.87Å; E142-A169 PolarHBondContact N-O 3.22Å; A169-Y186 CarbonylContact C-O 3.56Å; A169-Y186 WeakPolarHBondContact CA-O 3.22Å; A169-Y186 HydrophobicContact CB-CD2 4.29Å
170G96.5Very high91Very high0 Ų053.6 Ų53.60%028%0.282CS..EExtended strand (participates in β ladder)trans-111.5122.2175.600000110.5E142 Y186 V187 G188E142-G170 WeakPolarHBondContact O-CA 3.45Å; G170-Y186 PolarHBondContact N-O 2.84Å; G170-V187 WeakPolarHBondContact O-CA 3.33Å; G170-G188 PolarHBondContact O-N 3.15Å
171L98.1Very high89.7Confident0 Ų052.8 Ų52.80%028%0.28CS..EExtended strand (participates in β ladder)trans-66-49176.9174.664.9000111I50 F82 E142 A143 G188 F189 Y199 I213I50-L171 HydrophobicContact CG2-CD1 4.01Å; I50-L171 HydrophobicContact CG2-CD2 4.25Å; F82-L171 HydrophobicContact CB-CB 4.46Å; F82-L171 HydrophobicContact CB-CD2 4.3Å; F82-L171 HydrophobicContact CD1-CB 3.68Å; F82-L171 HydrophobicContact CD2-CB 4.01Å; F82-L171 HydrophobicContact CD2-CD1 4.09Å; F82-L171 HydrophobicContact CD2-CD2 4.37Å; F82-L171 HydrophobicContact CD2-CG 4.39Å; F82-L171 HydrophobicContact CE1-CB 3.83Å; F82-L171 HydrophobicContact CE2-CB 4.15Å; F82-L171 HydrophobicContact CE2-CD1 4.08Å; F82-L171 HydrophobicContact CG-CB 3.78Å; F82-L171 HydrophobicContact CG-CD2 4.31Å; F82-L171 HydrophobicContact CG-CG 4.48Å; F82-L171 HydrophobicContact CZ-CB 4.07Å; E142-L171 PolarHBondContact O-N 3.17Å; E142-L171 VanDerWaalsContact O-N 3.07Å; A143-L171 WeakPolarHBondContact O-CB 3.25Å; L171-G188 CarbonylContact O-C 3.53Å; L171-G188 WeakPolarHBondContact O-CA 3.26Å; L171-G188 PolarHBondContact O-N 3.24Å; L171-F189 HydrophobicContact CD1-CD2 3.9Å; L171-F189 HydrophobicContact CD1-CE2 3.87Å; L171-F189 PolarHBondContact O-N 2.76Å; L171-Y199 HydrophobicContact CD2-CD1 3.48Å; L171-Y199 VanDerWaalsContact CD2-CD1 3.48Å; L171-Y199 HydrophobicContact CD2-CE1 3.56Å; L171-I213 HydrophobicContact CD2-CD1 4.06Å
172L97.7Very high88.7Confident0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-118.1139.4178.5-54.1-179.2000110.9I45 A143 I144 V145 F189 I191 V196 L201 I213I45-L172 HydrophobicContact CD1-CD2 3.71Å; A143-L172 PolarHBondContact O-N 3.4Å; I144-L172 CarbonylContact C-O 3.6Å; I144-L172 WeakPolarHBondContact CA-O 3.41Å; I144-L172 HydrophobicContact CB-CB 4.12Å; I144-L172 HydrophobicContact CD1-CB 4.23Å; I144-L172 HydrophobicContact CD1-CD1 4.11Å; I144-L172 HydrophobicContact CG1-CB 3.87Å; V145-L172 PolarHBondContact N-O 3.06Å; L172-F189 CarbonylContact C-O 3.46Å; L172-F189 WeakPolarHBondContact CA-O 3.2Å; L172-F189 HydrophobicContact CD2-CB 3.89Å; L172-F189 HydrophobicContact CD2-CD2 4.07Å; L172-F189 HydrophobicContact CD2-CG 4.33Å; L172-I191 HydrophobicContact CB-CD1 4.41Å; L172-I191 HydrophobicContact CD1-CD1 4.12Å; L172-I191 HydrophobicContact CD2-CG2 4.25Å; L172-V196 HydrophobicContact CD1-CG2 3.87Å; L172-L201 HydrophobicContact CD1-CD1 3.58Å; L172-I213 HydrophobicContact CD1-CD1 4.1Å; L172-I213 HydrophobicContact CD1-CG2 4.34Å; L172-I213 HydrophobicContact CD2-CD1 4.04Å; L172-I213 HydrophobicContact CG-CD1 4.36Å
173V95.3Very high88.1Confident9 Ų948.2 Ų48.26%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-125.1123.1168.1178.40000107.9V145 L183 P184 V187 F189 E190 I191V145-V173 HydrophobicContact CB-CG2 4.3Å; V145-V173 WeakPolarHBondContact O-CA 3.29Å; V173-L183 HydrophobicContact CG1-CD2 4Å; V173-P184 HydrophobicContact CG2-CG 3.86Å; V173-V187 HydrophobicContact CB-CG1 4.25Å; V173-V187 HydrophobicContact CG2-CB 4.49Å; V173-V187 HydrophobicContact CG2-CG1 3.72Å; V173-V187 HydrophobicContact CG2-CG2 4.02Å; V173-F189 PolarHBondContact N-O 3.33Å; V173-E190 CarbonylContact O-C 3.58Å; V173-E190 VanDerWaalsContact O-CA 3.32Å; V173-E190 WeakPolarHBondContact O-CA 3.24Å; V173-I191 PolarHBondContact O-N 3.36Å
174K93.8Very high87.9Confident18 Ų1847.2 Ų47.28%0.07827%0.268CS..EExtended strand (participates in β ladder)trans-83.8135.9176.6-70.4-178166.6-1680111.1I144 V145 D146 V176 I191 N193 R194I144-K174 HydrophobicContact CD1-CD 4.25Å; I144-K174 HydrophobicContact CD1-CG 4.16Å; V145-K174 PolarHBondContact O-N 3.39Å; D146-K174 HydrophobicContact CB-CD 4.12Å; D146-K174 WeakPolarHBondContact OD1-CD 3.32Å; K174-V176 HydrophobicContact CB-CG1 4.07Å; K174-V176 PolarHBondContact O-N 3.25Å; K174-I191 CarbonylContact C-O 3.6Å; K174-I191 WeakPolarHBondContact CA-O 3.49Å; K174-I191 HydrophobicContact CG-CD1 4.06Å; K174-I191 HydrophobicContact CG-CG1 3.9Å; K174-N193 PolarHBondContact NZ-OD1 2.72Å; K174-R194 WeakPolarHBondContact CE-O 3.35Å; K174-R194 PolarHBondContact NZ-O 3.49Å
175R91.6Very high87.8Confident71 Ų7142.6 Ų42.627%0.26825%0.25SC..  trans-75104.2163.3-74.3-170.8-65.3-71.4-3.3109.8I18 D20 E190 I191I18-R175 PolarHBondContact O-NH1 3.14Å; I18-R175 PolarHBondContact O-NH2 3.49Å; D20-R175 IonicContact OD1-CZ 3.58Å; D20-R175 IonicContact OD1-NE 3.55Å; D20-R175 PolarHBondContact OD1-NE 3.32Å; D20-R175 IonicContact OD1-NH2 2.73Å; D20-R175 PolarHBondContact OD1-NH2 2.92Å; R175-E190 WeakPolarHBondContact CD-OE1 3.24Å; R175-E190 HydrophobicContact CG-CG 3.98Å; R175-E190 WeakPolarHBondContact CG-OE1 3.2Å; R175-E190 IonicContact CZ-OE1 3.62Å; R175-E190 IonicContact NE-OE1 2.76Å; R175-E190 PolarHBondContact NH1-O 3.23Å; R175-E190 IonicContact NH1-OE1 2.82Å; R175-E190 PolarHBondContact NH1-OE1 2.88Å; R175-I191 PolarHBondContact N-O 2.79Å
176V87.3Confident87.8Confident22 Ų2240 Ų4013%0.13324%0.237CC..  trans-126.4140.2175.8-65.90000111.3K174 N178 S179 N193K174-V176 HydrophobicContact CB-CG1 4.07Å; K174-V176 PolarHBondContact O-N 3.25Å; V176-N178 PolarHBondContact O-N 3.42Å; V176-N178 VanDerWaalsContact O-N 3.08Å; V176-S179 PolarHBondContact O-N 3.28Å; V176-N193 HydrophobicContact CG1-CB 4.03Å
177P74.3Confident87.8Confident128 Ų12839.3 Ų39.383%0.83123%0.234SC*.THydrogen-bonded Turntrans-58.6-24.4-176.3-25.933.8000115.2
178N68.8Low87.9Confident143 Ų14336.6 Ų36.677%0.76522%0.222SC*.THydrogen-bonded Turntrans-115.835.4-175.3-64.8-34.4000112.6V176V176-N178 PolarHBondContact O-N 3.42Å; V176-N178 VanDerWaalsContact O-N 3.08Å
179S71.9Confident87.9Confident63 Ų6336.5 Ų36.544%0.44122%0.221SC..  trans-63.8142.5177.184.20000110.7V176 G181V176-S179 PolarHBondContact O-N 3.28Å; S179-G181 PolarHBondContact O-N 2.96Å
180S67.9Low87.9Confident46 Ų4639.5 Ų39.532%0.32224%0.235SC..  trans-68.72.8-179.569.10000114.2T147 G148 C182T147-S180 PolarHBondContact O-N 3.04Å; T147-S180 PolarHBondContact O-OG 3.26Å; G148-S180 PolarHBondContact O-OG 2.85Å; S180-C182 PolarHBondContact O-N 3.13Å
181G67.9Low87.9Confident57 Ų5739.5 Ų39.559%0.58824%0.235SC*.SBendtrans71.5-2.6-175.200000114.2S179 L183S179-G181 PolarHBondContact O-N 2.96Å; G181-L183 PolarHBondContact O-N 3.23Å
182C75.4Confident87.8Confident38 Ų3839.9 Ų39.926%0.25724%0.238SC..  trans-80.8105.8174.8-156.60000107.8M151 L155 S180M151-C182 HydrophobicContact CE-CB 3.43Å; M151-C182 VanDerWaalsContact CE-CB 3.43Å; M151-C182 WeakPolarHBondContact CE-O 3.26Å; M151-C182 WeakPolarHBondContact CE-SG 3.45Å; L155-C182 WeakPolarHBondContact CD1-SG 3.45Å; S180-C182 PolarHBondContact O-N 3.13Å
183L84.1Confident87.6Confident99 Ų9944.5 Ų44.552%0.51826%0.262SS..  trans-106.7141177.5-67.8173.5000109.6V173 G181V173-L183 HydrophobicContact CG1-CD2 4Å; G181-L183 PolarHBondContact O-N 3.23Å
184P92.8Very high87.6Confident3 Ų349.8 Ų49.82%0.01928%0.282CS..  trans-55.3153.9171.3-24.334.1000112.6V145 M151 V168 V173 V187V145-P184 HydrophobicContact CG2-CG 3.76Å; M151-P184 HydrophobicContact SD-CG 4.35Å; V168-P184 HydrophobicContact CB-CB 4.24Å; V168-P184 HydrophobicContact CG1-CB 4.12Å; V168-P184 HydrophobicContact CG1-CG 4.42Å; V173-P184 HydrophobicContact CG2-CG 3.86Å; P184-V187 HydrophobicContact CB-CG2 4.01Å; P184-V187 HydrophobicContact CG-CG2 4.31Å
185D95.5Very high87.7Confident41 Ų4151 Ų5122%0.21929%0.287CS..SBendtrans-70.9-36.3170.4-60.9-92.8000111.2K167 V168K167-D185 WeakPolarHBondContact CA-OD2 3.32Å; K167-D185 HydrophobicContact CD-CB 3.85Å; K167-D185 VanDerWaalsContact CD-OD1 3.26Å; K167-D185 WeakPolarHBondContact CD-OD1 3.24Å; K167-D185 WeakPolarHBondContact CD-OD2 3.04Å; K167-D185 IonicContact NZ-OD1 2.67Å; K167-D185 PolarHBondContact NZ-OD1 3.21Å; V168-D185 PolarHBondContact N-OD2 2.97Å; V168-D185 PolarHBondContact O-N 3.03Å
186Y97Very high88Confident7 Ų748 Ų483%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-121.9112.6179.8-47.7-75.3000109.7N60 I61 D64 L139 K167 V168 A169 G170N60-Y186 HydrophobicContact CB-CD1 4.36Å; N60-Y186 HydrophobicContact CB-CE1 4.47Å; I61-Y186 HydrophobicContact CD1-CD2 4.14Å; I61-Y186 HydrophobicContact CD1-CE2 4.44Å; I61-Y186 HydrophobicContact CD1-CG 4.3Å; I61-Y186 HydrophobicContact CG1-CD1 3.84Å; I61-Y186 HydrophobicContact CG1-CD2 3.66Å; I61-Y186 HydrophobicContact CG1-CE1 3.8Å; I61-Y186 HydrophobicContact CG1-CE2 3.61Å; I61-Y186 HydrophobicContact CG1-CG 3.76Å; D64-Y186 HydrophobicContact CB-CE1 4.41Å; D64-Y186 WeakPolarHBondContact CB-OH 3.3Å; D64-Y186 VanDerWaalsContact OD2-CE1 3.32Å; D64-Y186 WeakPolarHBondContact OD2-CE1 3.38Å; D64-Y186 PolarHBondContact OD2-OH 3.04Å; L139-Y186 HydrophobicContact CD1-CD2 4.15Å; L139-Y186 HydrophobicContact CD1-CE2 4.05Å; K167-Y186 HydrophobicContact CB-CE2 3.92Å; K167-Y186 HydrophobicContact CD-CE2 4.49Å; K167-Y186 HydrophobicContact CG-CE2 4.28Å; V168-Y186 PolarHBondContact O-N 3.27Å; A169-Y186 CarbonylContact C-O 3.56Å; A169-Y186 WeakPolarHBondContact CA-O 3.22Å; A169-Y186 HydrophobicContact CB-CD2 4.29Å; G170-Y186 PolarHBondContact N-O 2.84Å
187V97.1Very high88.6Confident20 Ų2046.9 Ų46.912%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-108.7124.3-177-179.90000110.1G15 R53 G170 V173 P184G15-V187 WeakPolarHBondContact CA-O 3.45Å; R53-V187 PolarHBondContact NE-O 2.97Å; R53-V187 PolarHBondContact NH2-O 2.76Å; G170-V187 WeakPolarHBondContact O-CA 3.33Å; V173-V187 HydrophobicContact CB-CG1 4.25Å; V173-V187 HydrophobicContact CG2-CB 4.49Å; V173-V187 HydrophobicContact CG2-CG1 3.72Å; V173-V187 HydrophobicContact CG2-CG2 4.02Å; P184-V187 HydrophobicContact CB-CG2 4.01Å; P184-V187 HydrophobicContact CG-CG2 4.31Å
188G98.1Very high89.7Confident0 Ų040.8 Ų40.80%023%0.23CC..EExtended strand (participates in β ladder)trans-68-69.8171.200000110.9I16 R53 G170 L171I16-G188 PolarHBondContact N-O 3.27Å; R53-G188 PolarHBondContact NE-O 3.04Å; G170-G188 PolarHBondContact O-N 3.15Å; L171-G188 CarbonylContact O-C 3.53Å; L171-G188 WeakPolarHBondContact O-CA 3.26Å; L171-G188 PolarHBondContact O-N 3.24Å
189F98.2Very high91.2Very high2 Ų234.2 Ų34.21%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-135140.9-175.9-54.6-94.5000110.8I16 I18 I45 V49 I50 R53 L171 L172 V173 I191I16-F189 HydrophobicContact CB-CD1 3.66Å; I16-F189 HydrophobicContact CB-CE1 4.01Å; I16-F189 HydrophobicContact CD1-CD1 4.25Å; I16-F189 HydrophobicContact CD1-CE1 3.68Å; I16-F189 HydrophobicContact CD1-CZ 4.31Å; I16-F189 HydrophobicContact CG1-CD1 4.47Å; I16-F189 HydrophobicContact CG1-CE1 4.38Å; I16-F189 HydrophobicContact CG2-CD1 3.92Å; I16-F189 HydrophobicContact CG2-CE1 4.2Å; I16-F189 CarbonylContact O-C 3.54Å; I16-F189 VanDerWaalsContact O-CA 3.26Å; I16-F189 WeakPolarHBondContact O-CA 3.38Å; I18-F189 HydrophobicContact CD1-CD1 4.36Å; I45-F189 HydrophobicContact CD1-CB 4.03Å; I45-F189 HydrophobicContact CD1-CD1 4.01Å; I45-F189 HydrophobicContact CD1-CD2 4.04Å; I45-F189 HydrophobicContact CD1-CG 3.76Å; I45-F189 HydrophobicContact CG2-CD1 4.43Å; I45-F189 HydrophobicContact CG2-CE1 3.95Å; I45-F189 HydrophobicContact CG2-CE2 4.29Å; I45-F189 HydrophobicContact CG2-CZ 3.88Å; V49-F189 HydrophobicContact CG1-CE1 3.91Å; V49-F189 HydrophobicContact CG1-CZ 3.98Å; I50-F189 HydrophobicContact CG1-CE2 4.46Å; R53-F189 HydrophobicContact CB-CE1 4.36Å; R53-F189 HydrophobicContact CB-CE2 3.81Å; R53-F189 HydrophobicContact CB-CZ 3.5Å; R53-F189 VanDerWaalsContact CB-CZ 3.5Å; R53-F189 HydrophobicContact CG-CD2 4.45Å; R53-F189 HydrophobicContact CG-CE1 4.46Å; R53-F189 HydrophobicContact CG-CE2 3.82Å; R53-F189 HydrophobicContact CG-CZ 3.82Å; L171-F189 HydrophobicContact CD1-CD2 3.9Å; L171-F189 HydrophobicContact CD1-CE2 3.87Å; L171-F189 PolarHBondContact O-N 2.76Å; L172-F189 CarbonylContact C-O 3.46Å; L172-F189 WeakPolarHBondContact CA-O 3.2Å; L172-F189 HydrophobicContact CD2-CB 3.89Å; L172-F189 HydrophobicContact CD2-CD2 4.07Å; L172-F189 HydrophobicContact CD2-CG 4.33Å; V173-F189 PolarHBondContact N-O 3.33Å; F189-I191 HydrophobicContact CB-CG2 4.15Å
190E96.6Very high92.4Very high63 Ų6331.3 Ų31.329%0.29417%0.174SC..EExtended strand (participates in β ladder)trans-104.3116.9169.4-163.8-164.8109.600109.1I16 V17 I18 V173 R175I16-E190 PolarHBondContact O-N 2.71Å; V17-E190 HydrophobicContact CG2-CB 4.34Å; I18-E190 PolarHBondContact N-O 2.83Å; V173-E190 CarbonylContact O-C 3.58Å; V173-E190 VanDerWaalsContact O-CA 3.32Å; V173-E190 WeakPolarHBondContact O-CA 3.24Å; R175-E190 WeakPolarHBondContact CD-OE1 3.24Å; R175-E190 HydrophobicContact CG-CG 3.98Å; R175-E190 WeakPolarHBondContact CG-OE1 3.2Å; R175-E190 IonicContact CZ-OE1 3.62Å; R175-E190 IonicContact NE-OE1 2.76Å; R175-E190 PolarHBondContact NH1-O 3.23Å; R175-E190 IonicContact NH1-OE1 2.82Å; R175-E190 PolarHBondContact NH1-OE1 2.88Å
191I96.7Very high93.8Very high0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-116.1153.1-169.466.8165.4000112.2I18 Y44 I45 L172 V173 K174 R175 F189 V196I18-I191 HydrophobicContact CD1-CG2 4Å; I18-I191 HydrophobicContact CG1-CG2 4.47Å; Y44-I191 HydrophobicContact CE1-CB 4.19Å; Y44-I191 HydrophobicContact CE1-CG2 4.16Å; I45-I191 HydrophobicContact CD1-CG2 4.27Å; L172-I191 HydrophobicContact CB-CD1 4.41Å; L172-I191 HydrophobicContact CD1-CD1 4.12Å; L172-I191 HydrophobicContact CD2-CG2 4.25Å; V173-I191 PolarHBondContact O-N 3.36Å; K174-I191 CarbonylContact C-O 3.6Å; K174-I191 WeakPolarHBondContact CA-O 3.49Å; K174-I191 HydrophobicContact CG-CD1 4.06Å; K174-I191 HydrophobicContact CG-CG1 3.9Å; R175-I191 PolarHBondContact N-O 2.79Å; F189-I191 HydrophobicContact CB-CG2 4.15Å; I191-V196 HydrophobicContact CD1-CG1 4.31Å; I191-V196 HydrophobicContact CD1-CG2 4Å
192P95.9Very high95.2Very high7 Ų728.8 Ų28.85%0.04514%0.143CC..  trans-59.6165.2167.1-16.629.8000111.3N19 Y44 R194N19-P192 WeakPolarHBondContact O-CG 3.39Å; Y44-P192 WeakPolarHBondContact OH-CD 3.32Å; Y44-P192 VanDerWaalsContact OH-CG 3.22Å; Y44-P192 WeakPolarHBondContact OH-CG 3.38Å; P192-R194 HydrophobicContact CB-CG 4.41Å; P192-R194 PolarHBondContact O-N 3.19Å
193N94.3Very high96.3Very high97 Ų9727.3 Ų27.352%0.51913%0.133SC..SBendtrans-74.471.6176.1-169.618.2000112.4K174 V176K174-N193 PolarHBondContact NZ-OD1 2.72Å; V176-N193 HydrophobicContact CG1-CB 4.03Å
194R94.5Very high96.8Very high121 Ų12123.9 Ų23.946%0.45712%0.115SC..  trans-106.7151.9171.3-62.6-70.3-174.9176.30.3109.7K174 P192 V196 V215K174-R194 WeakPolarHBondContact CE-O 3.35Å; K174-R194 PolarHBondContact NZ-O 3.49Å; P192-R194 HydrophobicContact CB-CG 4.41Å; P192-R194 PolarHBondContact O-N 3.19Å; R194-V196 HydrophobicContact CB-CG1 4.37Å; R194-V196 PolarHBondContact O-N 3.02Å; R194-V215 HydrophobicContact CB-CG2 4.32Å
195F96.2Very high97Very high42 Ų4228.4 Ų28.418%0.18414%0.136CC..  trans-85.4113.4170.6-161.3-81000109D116 V197 Y203 I216D116-F195 HydrophobicContact CB-CD2 3.66Å; D116-F195 HydrophobicContact CB-CE2 3.74Å; D116-F195 HydrophobicContact CB-CG 4.48Å; F195-V197 HydrophobicContact CD1-CG1 4.18Å; F195-V197 HydrophobicContact CE1-CG1 3.86Å; F195-Y203 HydrophobicContact CD1-CD2 4.35Å; F195-Y203 AromaticContact CE1-CD2 3.59Å; F195-Y203 HydrophobicContact CE1-CD2 3.59Å; F195-Y203 HydrophobicContact CE1-CG 4.21Å; F195-Y203 AromaticContact CZ-CD2 3.74Å; F195-Y203 HydrophobicContact CZ-CD2 3.74Å; F195-I216 HydrophobicContact CB-CG2 4.18Å; F195-I216 HydrophobicContact CD1-CG2 3.62Å; F195-I216 HydrophobicContact CG-CG2 4.29Å; F195-I216 PolarHBondContact O-N 2.93Å
196V98.3Very high97.1Very high8 Ų831.9 Ų31.95%0.04815%0.147CC..EExtended strand (participates in β ladder)trans-114.9147-174.7-66.40000111.1Y44 I144 L172 I191 R194 L201 I213 C214 V215Y44-V196 HydrophobicContact CD1-CG1 4.23Å; I144-V196 HydrophobicContact CD1-CG2 4.12Å; L172-V196 HydrophobicContact CD1-CG2 3.87Å; I191-V196 HydrophobicContact CD1-CG1 4.31Å; I191-V196 HydrophobicContact CD1-CG2 4Å; R194-V196 HydrophobicContact CB-CG1 4.37Å; R194-V196 PolarHBondContact O-N 3.02Å; V196-L201 HydrophobicContact CG2-CD1 4.16Å; V196-I213 HydrophobicContact CB-CG2 3.8Å; V196-I213 HydrophobicContact CG1-CG2 4.21Å; V196-I213 HydrophobicContact CG2-CG2 4.19Å; V196-C214 CarbonylContact C-O 3.58Å; V196-C214 WeakPolarHBondContact CA-O 3.27Å; V196-V215 HydrophobicContact CG1-CG2 4.25Å
197V98.6Very high97.2Very high0 Ų031.5 Ų31.50%015%0.145CC..EExtended strand (participates in β ladder)trans-135.1165.8-179-63.70000110.4L40 F195 F207 L210 I213 C214 I216L40-V197 HydrophobicContact CD2-CG2 3.77Å; F195-V197 HydrophobicContact CD1-CG1 4.18Å; F195-V197 HydrophobicContact CE1-CG1 3.86Å; V197-F207 HydrophobicContact CB-CB 3.68Å; V197-F207 HydrophobicContact CB-CD2 4.24Å; V197-F207 HydrophobicContact CB-CG 3.99Å; V197-F207 HydrophobicContact CG1-CB 4.36Å; V197-F207 HydrophobicContact CG1-CD2 4.09Å; V197-F207 HydrophobicContact CG1-CG 4.36Å; V197-F207 HydrophobicContact CG2-CB 3.9Å; V197-F207 HydrophobicContact CG2-CD1 4.06Å; V197-F207 HydrophobicContact CG2-CD2 4.3Å; V197-F207 HydrophobicContact CG2-CG 3.85Å; V197-L210 HydrophobicContact CG2-CD2 4.48Å; V197-I213 CarbonylContact O-C 3.53Å; V197-I213 WeakPolarHBondContact O-CA 3.46Å; V197-C214 PolarHBondContact N-O 2.93Å; V197-C214 PolarHBondContact O-N 3.2Å; V197-I216 HydrophobicContact CG1-CB 4.31Å; V197-I216 HydrophobicContact CG2-CB 4.3Å
198G98.6Very high97.3Very high0 Ų032.3 Ų32.30%015%0.146CC..BIsolated β-bridgetrans90167.8-177.800000113.6A200 L201 F207 L210 H212G198-A200 VanDerWaalsContact C-N 3.31Å; G198-A200 PolarHBondContact O-N 3.46Å; G198-L201 PolarHBondContact N-O 3.35Å; G198-L201 WeakPolarHBondContact O-CB 3.48Å; G198-L201 WeakPolarHBondContact O-CG 3.25Å; G198-L201 PolarHBondContact O-N 2.92Å; G198-F207 VanDerWaalsContact CA-O 3.32Å; G198-F207 WeakPolarHBondContact CA-O 3.31Å; G198-L210 CarbonylContact C-O 3.6Å; G198-L210 WeakPolarHBondContact CA-O 3.44Å; G198-H212 WeakPolarHBondContact CA-O 3.48Å
199Y98.7Very high97.3Very high5 Ų536.4 Ų36.42%0.0217%0.168CC..THydrogen-bonded Turntrans50.153.9-166-163.4-105.8000110.8H47 I50 Q81 F82 D85 L171 L201 L210H47-Y199 AromaticContact CD2-CE2 3.95Å; I50-Y199 HydrophobicContact CD1-CD1 4.39Å; I50-Y199 HydrophobicContact CD1-CD2 4.16Å; I50-Y199 HydrophobicContact CD1-CG 4Å; I50-Y199 HydrophobicContact CG2-CD1 4.15Å; I50-Y199 HydrophobicContact CG2-CD2 4.47Å; I50-Y199 HydrophobicContact CG2-CE1 3.64Å; I50-Y199 HydrophobicContact CG2-CE2 4.02Å; Q81-Y199 HydrophobicContact CB-CE1 4.4Å; Q81-Y199 HydrophobicContact CB-CE2 4.47Å; Q81-Y199 HydrophobicContact CG-CD1 4.37Å; Q81-Y199 HydrophobicContact CG-CD2 3.71Å; Q81-Y199 HydrophobicContact CG-CE1 4.14Å; Q81-Y199 HydrophobicContact CG-CE2 3.41Å; Q81-Y199 VanDerWaalsContact CG-CE2 3.41Å; Q81-Y199 HydrophobicContact CG-CG 4.18Å; F82-Y199 HydrophobicContact CB-CE1 3.88Å; D85-Y199 WeakPolarHBondContact CB-OH 3.17Å; D85-Y199 WeakPolarHBondContact OD2-CE2 3.16Å; D85-Y199 PolarHBondContact OD2-OH 2.86Å; L171-Y199 HydrophobicContact CD2-CD1 3.48Å; L171-Y199 VanDerWaalsContact CD2-CD1 3.48Å; L171-Y199 HydrophobicContact CD2-CE1 3.56Å; Y199-L201 PolarHBondContact O-N 2.76Å; Y199-L201 VanDerWaalsContact O-N 3.14Å; Y199-L210 PolarHBondContact N-O 3.25Å
200A98.3Very high97.3Very high1 Ų136.4 Ų36.41%0.00817%0.168CC..THydrogen-bonded Turntrans67.5-9.6-173.100000117.6A78 Y80 Q81 G198 R208A78-A200 WeakPolarHBondContact CA-O 3.44Å; A78-A200 WeakPolarHBondContact O-CB 3.46Å; Y80-A200 HydrophobicContact CD1-CB 3.62Å; Y80-A200 HydrophobicContact CE1-CB 3.22Å; Y80-A200 HydrophobicContact CG-CB 4.47Å; Q81-A200 HydrophobicContact CB-CB 3.72Å; G198-A200 VanDerWaalsContact C-N 3.31Å; G198-A200 PolarHBondContact O-N 3.46Å; A200-R208 PolarHBondContact N-O 3.2Å; A200-R208 WeakPolarHBondContact O-CG 3.31Å; A200-R208 PolarHBondContact O-NH1 3.34Å
201L97.9Very high97.4Very high8 Ų838.1 Ų38.14%0.04218%0.179CC..BIsolated β-bridgetrans-67.4147.4166.4-60.5161.1000110A78 A143 I144 L172 V196 G198 Y199 I213A78-L201 HydrophobicContact CB-CD2 4.05Å; A143-L201 HydrophobicContact CB-CD2 3.8Å; A143-L201 HydrophobicContact CB-CG 4.47Å; I144-L201 HydrophobicContact CB-CD2 4.02Å; I144-L201 HydrophobicContact CG2-CD2 3.6Å; L172-L201 HydrophobicContact CD1-CD1 3.58Å; V196-L201 HydrophobicContact CG2-CD1 4.16Å; G198-L201 PolarHBondContact N-O 3.35Å; G198-L201 WeakPolarHBondContact O-CB 3.48Å; G198-L201 WeakPolarHBondContact O-CG 3.25Å; G198-L201 PolarHBondContact O-N 2.92Å; Y199-L201 PolarHBondContact O-N 2.76Å; Y199-L201 VanDerWaalsContact O-N 3.14Å; L201-I213 HydrophobicContact CD1-CG1 4.41Å
202D97.3Very high97.5Very high42 Ų4239 Ų3923%0.22518%0.183CC..  trans-132.4166-173.274.2-72.9000114.6N204 E205 Y206 R208D202-N204 PolarHBondContact OD2-N 3.04Å; D202-E205 WeakPolarHBondContact OD2-CA 3.47Å; D202-E205 PolarHBondContact OD2-N 2.87Å; D202-Y206 WeakPolarHBondContact CA-O 3.43Å; D202-Y206 WeakPolarHBondContact CB-O 3.04Å; D202-R208 HydrophobicContact CB-CG 3.74Å; D202-R208 VanDerWaalsContact CB-CZ 3.47Å; D202-R208 VanDerWaalsContact CG-NH1 3.31Å; D202-R208 IonicContact OD1-CZ 3.76Å; D202-R208 IonicContact OD1-NH1 3.66Å; D202-R208 PolarHBondContact OD1-NH1 2.8Å; D202-R208 IonicContact OD1-NH2 3.78Å; D202-R208 PolarHBondContact OD1-NH2 3.38Å; D202-R208 IonicContact OD2-CZ 2.72Å; D202-R208 IonicContact OD2-NH2 3.45Å; D202-R208 PolarHBondContact OD2-NH2 3.05Å; D202-R208 VanDerWaalsContact OD2-NH2 3.15Å
203Y97.4Very high97.6Very high7 Ų738.7 Ų38.73%0.02718%0.181CC..BIsolated β-bridgetrans-125.2112155.2-177-104.2000107.7N115 D116 F195 E205 Y206 I216 K221N115-Y203 HydrophobicContact CB-CE2 4.36Å; D116-Y203 HydrophobicContact CB-CE2 4.49Å; F195-Y203 HydrophobicContact CD1-CD2 4.35Å; F195-Y203 AromaticContact CE1-CD2 3.59Å; F195-Y203 HydrophobicContact CE1-CD2 3.59Å; F195-Y203 HydrophobicContact CE1-CG 4.21Å; F195-Y203 AromaticContact CZ-CD2 3.74Å; F195-Y203 HydrophobicContact CZ-CD2 3.74Å; Y203-E205 VanDerWaalsContact C-N 3.34Å; Y203-E205 PolarHBondContact O-N 3.37Å; Y203-Y206 PolarHBondContact N-O 3.05Å; Y203-Y206 WeakPolarHBondContact O-CB 3.46Å; Y203-Y206 PolarHBondContact O-N 3.28Å; Y203-I216 HydrophobicContact CD1-CD1 3.83Å; Y203-I216 HydrophobicContact CD2-CD1 4.47Å; Y203-I216 HydrophobicContact CE1-CD1 4.49Å; Y203-I216 HydrophobicContact CG-CD1 3.8Å; Y203-K221 WeakPolarHBondContact CE1-O 3.2Å; Y203-K221 PolarHBondContact OH-O 3.4Å
204N95.6Very high97.8Very high28 Ų2834 Ų3415%0.1516%0.156CC..THydrogen-bonded Turntrans49.549-178-62.4-31.3000114N115 D202 Y206 Y224 V226N115-N204 WeakPolarHBondContact CA-OD1 3.32Å; N115-N204 PolarHBondContact N-OD1 3.38Å; N115-N204 VanDerWaalsContact N-OD1 3.12Å; N115-N204 PolarHBondContact OD1-ND2 3.3Å; D202-N204 PolarHBondContact OD2-N 3.04Å; N204-Y206 WeakPolarHBondContact O-CD2 3.49Å; N204-Y206 PolarHBondContact O-N 3.37Å; N204-Y224 WeakPolarHBondContact CB-O 3.44Å; N204-Y224 PolarHBondContact ND2-O 2.81Å; N204-V226 HydrophobicContact CB-CG1 4.08Å; N204-V226 PolarHBondContact ND2-N 2.73Å
205E96.3Very high98Very high97 Ų9728.7 Ų28.745%0.45314%0.137SC..THydrogen-bonded Turntrans70.8-2.6-177.9-55.1-68.5153.100116.4K77 D202 Y203 R208K77-E205 IonicContact NZ-OE1 2.76Å; K77-E205 IonicContact NZ-OE2 3.27Å; K77-E205 PolarHBondContact NZ-OE2 2.82Å; D202-E205 WeakPolarHBondContact OD2-CA 3.47Å; D202-E205 PolarHBondContact OD2-N 2.87Å; Y203-E205 VanDerWaalsContact C-N 3.34Å; Y203-E205 PolarHBondContact O-N 3.37Å; E205-R208 IonicContact OE1-NH2 3.76Å; E205-R208 PolarHBondContact OE1-NH2 3.19Å; E205-R208 IonicContact OE2-CZ 2.94Å; E205-R208 IonicContact OE2-NE 3.24Å; E205-R208 PolarHBondContact OE2-NE 3.33Å; E205-R208 IonicContact OE2-NH2 3.06Å; E205-R208 PolarHBondContact OE2-NH2 3.47Å
206Y98.2Very high98.1Very high114 Ų11426.8 Ų26.845%0.44713%0.129SC..BIsolated β-bridgetrans-86.7165.1171.4-63.1-87.7000112D202 Y203 N204 R208 Y224D202-Y206 WeakPolarHBondContact CA-O 3.43Å; D202-Y206 WeakPolarHBondContact CB-O 3.04Å; Y203-Y206 PolarHBondContact N-O 3.05Å; Y203-Y206 WeakPolarHBondContact O-CB 3.46Å; Y203-Y206 PolarHBondContact O-N 3.28Å; N204-Y206 WeakPolarHBondContact O-CD2 3.49Å; N204-Y206 PolarHBondContact O-N 3.37Å; Y206-R208 VanDerWaalsContact C-N 3.26Å; Y206-R208 PolarHBondContact O-N 3.21Å; Y206-Y224 AromaticContact CD1-CD1 3.67Å; Y206-Y224 HydrophobicContact CD1-CD1 3.67Å; Y206-Y224 AromaticContact CD1-CE1 3.48Å; Y206-Y224 HydrophobicContact CD1-CE1 3.48Å; Y206-Y224 VanDerWaalsContact CD1-CE1 3.48Å; Y206-Y224 AromaticContact CD2-CD1 3.43Å; Y206-Y224 HydrophobicContact CD2-CD1 3.43Å; Y206-Y224 VanDerWaalsContact CD2-CD1 3.43Å; Y206-Y224 HydrophobicContact CD2-CE1 4.16Å; Y206-Y224 AromaticContact CD2-CG 3.96Å; Y206-Y224 HydrophobicContact CD2-CG 3.96Å; Y206-Y224 AromaticContact CE1-CD1 3.82Å; Y206-Y224 HydrophobicContact CE1-CD1 3.82Å; Y206-Y224 AromaticContact CE1-CE1 3.67Å; Y206-Y224 HydrophobicContact CE1-CE1 3.67Å; Y206-Y224 AromaticContact CE2-CD1 3.61Å; Y206-Y224 HydrophobicContact CE2-CD1 3.61Å; Y206-Y224 HydrophobicContact CE2-CE1 4.33Å; Y206-Y224 HydrophobicContact CE2-CG 4.43Å; Y206-Y224 AromaticContact CG-CD1 3.46Å; Y206-Y224 HydrophobicContact CG-CD1 3.46Å; Y206-Y224 VanDerWaalsContact CG-CD1 3.46Å; Y206-Y224 AromaticContact CG-CE1 3.74Å; Y206-Y224 HydrophobicContact CG-CE1 3.74Å; Y206-Y224 HydrophobicContact CG-CG 4.07Å; Y206-Y224 AromaticContact CZ-CD1 3.79Å
207F98.6Very high98.1Very high0 Ų027.1 Ų27.10%013%0.131CC..SBendtrans72.2-0.5175.2-49.4-83.2000116.3Y36 D39 L40 V197 G198 D209 L210 I216 Y224Y36-F207 AromaticContact CD1-CD1 3.47Å; Y36-F207 HydrophobicContact CD1-CD1 3.47Å; Y36-F207 VanDerWaalsContact CD1-CD1 3.47Å; Y36-F207 AromaticContact CD1-CE1 3.26Å; Y36-F207 HydrophobicContact CD1-CE1 3.26Å; Y36-F207 HydrophobicContact CD1-CZ 4.16Å; Y36-F207 AromaticContact CD2-CD1 3.96Å; Y36-F207 HydrophobicContact CD2-CD1 3.96Å; Y36-F207 HydrophobicContact CD2-CE1 4.45Å; Y36-F207 AromaticContact CE1-CD1 3.49Å; Y36-F207 HydrophobicContact CE1-CD1 3.49Å; Y36-F207 VanDerWaalsContact CE1-CD1 3.49Å; Y36-F207 AromaticContact CE1-CE1 3.6Å; Y36-F207 HydrophobicContact CE1-CE1 3.6Å; Y36-F207 HydrophobicContact CE1-CG 4.12Å; Y36-F207 HydrophobicContact CE1-CZ 4.3Å; Y36-F207 AromaticContact CE2-CD1 3.97Å; Y36-F207 HydrophobicContact CE2-CD1 3.97Å; Y36-F207 AromaticContact CG-CD1 3.73Å; Y36-F207 HydrophobicContact CG-CD1 3.73Å; Y36-F207 AromaticContact CG-CE1 3.76Å; Y36-F207 HydrophobicContact CG-CE1 3.76Å; Y36-F207 AromaticContact CZ-CD1 3.75Å; Y36-F207 WeakPolarHBondContact OH-CA 3.33Å; Y36-F207 PolarHBondContact OH-N 3.14Å; D39-F207 HydrophobicContact CB-CE1 4.03Å; D39-F207 HydrophobicContact CB-CZ 4.1Å; L40-F207 HydrophobicContact CD2-CD1 4.02Å; L40-F207 HydrophobicContact CD2-CE1 3.85Å; V197-F207 HydrophobicContact CB-CB 3.68Å; V197-F207 HydrophobicContact CB-CD2 4.24Å; V197-F207 HydrophobicContact CB-CG 3.99Å; V197-F207 HydrophobicContact CG1-CB 4.36Å; V197-F207 HydrophobicContact CG1-CD2 4.09Å; V197-F207 HydrophobicContact CG1-CG 4.36Å; V197-F207 HydrophobicContact CG2-CB 3.9Å; V197-F207 HydrophobicContact CG2-CD1 4.06Å; V197-F207 HydrophobicContact CG2-CD2 4.3Å; V197-F207 HydrophobicContact CG2-CG 3.85Å; G198-F207 VanDerWaalsContact CA-O 3.32Å; G198-F207 WeakPolarHBondContact CA-O 3.31Å; F207-D209 PolarHBondContact O-N 2.67Å; F207-L210 VanDerWaalsContact O-CB 3.29Å; F207-L210 WeakPolarHBondContact O-CB 3.39Å; F207-L210 PolarHBondContact O-N 2.76Å; F207-L210 VanDerWaalsContact O-N 3.09Å; F207-I216 HydrophobicContact CD2-CD1 4.44Å; F207-I216 HydrophobicContact CE2-CD1 3.58Å; F207-I216 HydrophobicContact CE2-CG1 4.36Å; F207-I216 HydrophobicContact CZ-CD1 3.83Å; F207-I216 HydrophobicContact CZ-CG1 4.18Å; F207-Y224 HydrophobicContact CE1-CE2 4.11Å; F207-Y224 AromaticContact CE2-CD2 3.53Å; F207-Y224 HydrophobicContact CE2-CD2 3.53Å; F207-Y224 AromaticContact CE2-CE2 3.85Å; F207-Y224 HydrophobicContact CE2-CE2 3.85Å; F207-Y224 HydrophobicContact CE2-CG 4.23Å; F207-Y224 AromaticContact CZ-CD2 3.42Å; F207-Y224 HydrophobicContact CZ-CD2 3.42Å; F207-Y224 VanDerWaalsContact CZ-CD2 3.42Å; F207-Y224 AromaticContact CZ-CE2 3.31Å; F207-Y224 HydrophobicContact CZ-CE2 3.31Å; F207-Y224 HydrophobicContact CZ-CG 4.49Å
208R98.4Very high98.1Very high36 Ų3633.3 Ų33.314%0.13616%0.16CC..THydrogen-bonded Turntrans-61.6-28.1177.3-61.1-165.9-171.6-69.8-2.2113.1A200 D202 E205 Y206 L210A200-R208 PolarHBondContact N-O 3.2Å; A200-R208 WeakPolarHBondContact O-CG 3.31Å; A200-R208 PolarHBondContact O-NH1 3.34Å; D202-R208 HydrophobicContact CB-CG 3.74Å; D202-R208 VanDerWaalsContact CB-CZ 3.47Å; D202-R208 VanDerWaalsContact CG-NH1 3.31Å; D202-R208 IonicContact OD1-CZ 3.76Å; D202-R208 IonicContact OD1-NH1 3.66Å; D202-R208 PolarHBondContact OD1-NH1 2.8Å; D202-R208 IonicContact OD1-NH2 3.78Å; D202-R208 PolarHBondContact OD1-NH2 3.38Å; D202-R208 IonicContact OD2-CZ 2.72Å; D202-R208 IonicContact OD2-NH2 3.45Å; D202-R208 PolarHBondContact OD2-NH2 3.05Å; D202-R208 VanDerWaalsContact OD2-NH2 3.15Å; E205-R208 IonicContact OE1-NH2 3.76Å; E205-R208 PolarHBondContact OE1-NH2 3.19Å; E205-R208 IonicContact OE2-CZ 2.94Å; E205-R208 IonicContact OE2-NE 3.24Å; E205-R208 PolarHBondContact OE2-NE 3.33Å; E205-R208 IonicContact OE2-NH2 3.06Å; E205-R208 PolarHBondContact OE2-NH2 3.47Å; Y206-R208 VanDerWaalsContact C-N 3.26Å; Y206-R208 PolarHBondContact O-N 3.21Å; R208-L210 VanDerWaalsContact C-N 3.33Å
209D98.4Very high98.1Very high86 Ų8636.6 Ų36.646%0.4618%0.183SC..THydrogen-bonded Turntrans-83.40.2178.563.7-40.5000114H35 Y36 F207H35-D209 IonicContact CE1-OD2 3.15Å; H35-D209 PolarHBondContact CE1-OD2 2.87Å; H35-D209 IonicContact NE2-OD2 2.76Å; H35-D209 PolarHBondContact NE2-OD2 3.43Å; Y36-D209 VanDerWaalsContact CE2-OD1 3.31Å; Y36-D209 WeakPolarHBondContact CE2-OD1 3.11Å; Y36-D209 PolarHBondContact OH-OD1 3.26Å; F207-D209 PolarHBondContact O-N 2.67Å
210L98.6Very high98Very high2 Ų236.3 Ų36.31%0.0118%0.182CC..  trans-81.9128.8172.617866.3000109.9P33 Y36 L40 V197 G198 Y199 F207 R208 H212 C214P33-L210 HydrophobicContact CG-CD1 4.47Å; Y36-L210 HydrophobicContact CE2-CB 4.46Å; L40-L210 HydrophobicContact CD1-CD1 4.31Å; L40-L210 HydrophobicContact CD1-CD2 3.78Å; L40-L210 HydrophobicContact CD2-CD2 4.19Å; V197-L210 HydrophobicContact CG2-CD2 4.48Å; G198-L210 CarbonylContact C-O 3.6Å; G198-L210 WeakPolarHBondContact CA-O 3.44Å; Y199-L210 PolarHBondContact N-O 3.25Å; F207-L210 VanDerWaalsContact O-CB 3.29Å; F207-L210 WeakPolarHBondContact O-CB 3.39Å; F207-L210 PolarHBondContact O-N 2.76Å; F207-L210 VanDerWaalsContact O-N 3.09Å; R208-L210 VanDerWaalsContact C-N 3.33Å; L210-H212 WeakPolarHBondContact CG-O 3.23Å; L210-C214 HydrophobicContact CD2-CB 3.91Å
211N98.3Very high98Very high99 Ų9938.4 Ų38.453%0.52919%0.191SC..SBendtrans-73.2-36.9-178.3-67.3-23.5000113.7H47H47-N211 HydrophobicContact CB-CB 4.23Å
212H98.8Very high97.9Very high19 Ų1944.9 Ų44.99%0.08823%0.225CC..SBendtrans-84.4149.9-178-59-31.9000110.5F30 N31 V43 H47 G198 L210F30-H212 AromaticContact CD1-NE2 3.66Å; F30-H212 AromaticContact CG-NE2 3.99Å; N31-H212 PolarHBondContact O-NE2 3.32Å; V43-H212 HydrophobicContact CG1-CB 3.99Å; H47-H212 WeakPolarHBondContact CB-ND1 3.48Å; H47-H212 PolarHBondContact N-ND1 2.73Å; H47-H212 VanDerWaalsContact N-ND1 3.11Å; G198-H212 WeakPolarHBondContact CA-O 3.48Å; L210-H212 WeakPolarHBondContact CG-O 3.23Å
213I98.8Very high98Very high0 Ų048.3 Ų48.30%024%0.238CC..EExtended strand (participates in β ladder)trans-82.2119.7163.4-64.6166000106.6Y44 I45 I50 L171 L172 V196 V197 L201Y44-I213 WeakPolarHBondContact CA-O 3.47Å; Y44-I213 WeakPolarHBondContact CB-O 3.21Å; Y44-I213 PolarHBondContact N-O 3.34Å; I45-I213 HydrophobicContact CB-CB 4.11Å; I45-I213 HydrophobicContact CB-CD1 4.44Å; I45-I213 HydrophobicContact CD1-CD1 4.26Å; I45-I213 HydrophobicContact CG1-CB 4.46Å; I45-I213 PolarHBondContact N-O 3.02Å; I45-I213 PolarHBondContact O-N 3.49Å; I45-I213 VanDerWaalsContact O-N 3.09Å; I50-I213 HydrophobicContact CD1-CB 4.44Å; I50-I213 HydrophobicContact CD1-CD1 3.45Å; I50-I213 VanDerWaalsContact CD1-CD1 3.45Å; I50-I213 HydrophobicContact CD1-CG1 3.66Å; I50-I213 HydrophobicContact CG1-CD1 4.13Å; L171-I213 HydrophobicContact CD2-CD1 4.06Å; L172-I213 HydrophobicContact CD1-CD1 4.1Å; L172-I213 HydrophobicContact CD1-CG2 4.34Å; L172-I213 HydrophobicContact CD2-CD1 4.04Å; L172-I213 HydrophobicContact CG-CD1 4.36Å; V196-I213 HydrophobicContact CB-CG2 3.8Å; V196-I213 HydrophobicContact CG1-CG2 4.21Å; V196-I213 HydrophobicContact CG2-CG2 4.19Å; V197-I213 CarbonylContact O-C 3.53Å; V197-I213 WeakPolarHBondContact O-CA 3.46Å; L201-I213 HydrophobicContact CD1-CG1 4.41Å
214C98.8Very high98Very high0 Ų049.1 Ų49.10%024%0.241CC..EExtended strand (participates in β ladder)trans-122.8156.1-176.9-67.10000110.8L40 C42 V196 V197 L210L40-C214 HydrophobicContact CD1-CB 4.21Å; L40-C214 HydrophobicContact CD2-CB 3.94Å; L40-C214 HydrophobicContact CG-CB 4.46Å; C42-C214 VanDerWaalsContact O-CA 3.24Å; C42-C214 WeakPolarHBondContact O-CA 3.41Å; C42-C214 WeakPolarHBondContact O-CB 3.32Å; V196-C214 CarbonylContact C-O 3.58Å; V196-C214 WeakPolarHBondContact CA-O 3.27Å; V197-C214 PolarHBondContact N-O 2.93Å; V197-C214 PolarHBondContact O-N 3.2Å; L210-C214 HydrophobicContact CD2-CB 3.91Å
215V98.6Very high97.9Very high9 Ų954.4 Ų54.46%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-83.7129.6166.7179.60000108.3E41 C42 Y44 R194 V196E41-V215 HydrophobicContact CB-CB 4.25Å; E41-V215 HydrophobicContact CB-CG1 4.24Å; E41-V215 PolarHBondContact N-O 3.36Å; E41-V215 WeakPolarHBondContact OE2-CG1 3.49Å; C42-V215 PolarHBondContact O-N 2.78Å; C42-V215 VanDerWaalsContact O-N 3.14Å; Y44-V215 HydrophobicContact CD2-CG2 3.61Å; Y44-V215 HydrophobicContact CE2-CG2 4.21Å; Y44-V215 HydrophobicContact CG-CG2 3.91Å; R194-V215 HydrophobicContact CB-CG2 4.32Å; V196-V215 HydrophobicContact CG1-CG2 4.25Å
216I98.4Very high97.6Very high2 Ų256.2 Ų56.21%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-74.4134.9175.9-166.9175.6000110D39 F195 V197 Y203 F207 K221D39-I216 WeakPolarHBondContact O-CG1 3.35Å; F195-I216 HydrophobicContact CB-CG2 4.18Å; F195-I216 HydrophobicContact CD1-CG2 3.62Å; F195-I216 HydrophobicContact CG-CG2 4.29Å; F195-I216 PolarHBondContact O-N 2.93Å; V197-I216 HydrophobicContact CG1-CB 4.31Å; V197-I216 HydrophobicContact CG2-CB 4.3Å; Y203-I216 HydrophobicContact CD1-CD1 3.83Å; Y203-I216 HydrophobicContact CD2-CD1 4.47Å; Y203-I216 HydrophobicContact CE1-CD1 4.49Å; Y203-I216 HydrophobicContact CG-CD1 3.8Å; F207-I216 HydrophobicContact CD2-CD1 4.44Å; F207-I216 HydrophobicContact CE2-CD1 3.58Å; F207-I216 HydrophobicContact CE2-CG1 4.36Å; F207-I216 HydrophobicContact CZ-CD1 3.83Å; F207-I216 HydrophobicContact CZ-CG1 4.18Å; I216-K221 HydrophobicContact CD1-CG 4.07Å; I216-K221 HydrophobicContact CG1-CG 4.28Å; I216-K221 HydrophobicContact CG2-CD 4.34Å; I216-K221 HydrophobicContact CG2-CG 3.76Å
217S98.3Very high97.5Very high14 Ų1453.4 Ų53.410%0.09827%0.272CS..PPolyproline II helixtrans-74.7165.317568.20000112G38 D39 S219 G220 K221G38-S217 PolarHBondContact O-OG 3.38Å; D39-S217 WeakPolarHBondContact CA-OG 3.48Å; D39-S217 WeakPolarHBondContact O-CB 3.26Å; D39-S217 PolarHBondContact O-N 3.46Å; D39-S217 PolarHBondContact O-OG 2.87Å; S217-S219 VanDerWaalsContact C-N 3.34Å; S217-S219 PolarHBondContact O-N 3.16Å; S217-S219 PolarHBondContact OG-OG 3.39Å; S217-G220 PolarHBondContact O-N 3.28Å; S217-G220 PolarHBondContact OG-N 3.16Å; S217-K221 PolarHBondContact O-N 2.98Å
218E97.7Very high97.5Very high131 Ų13156.2 Ų56.261%0.61229%0.286SS*.Hα-helixtrans-64.1-36.5173.9-66.4-56126.500112.9G220 K221 L222E218-G220 VanDerWaalsContact C-N 3.34Å; E218-K221 PolarHBondContact O-N 3.39Å; E218-K221 IonicContact OE1-NZ 3.23Å; E218-K221 PolarHBondContact OE1-NZ 3.47Å; E218-L222 WeakPolarHBondContact O-CB 3.49Å; E218-L222 PolarHBondContact O-N 2.94Å
219S97.8Very high97.4Very high68 Ų6857.3 Ų57.348%0.47630%0.295SS..Hα-helixtrans-61.2-43.1171.734.90000111.6G38 S217 L222 K223G38-S219 PolarHBondContact O-OG 2.97Å; S217-S219 VanDerWaalsContact C-N 3.34Å; S217-S219 PolarHBondContact O-N 3.16Å; S217-S219 PolarHBondContact OG-OG 3.39Å; S219-L222 PolarHBondContact O-N 3.47Å; S219-K223 VanDerWaalsContact O-CB 3.26Å; S219-K223 WeakPolarHBondContact O-CB 3.41Å; S219-K223 PolarHBondContact O-N 3.27Å
220G97.9Very high97.4Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-61-48.4175.200000112.2S217 E218 L222 K223 Y224S217-G220 PolarHBondContact O-N 3.28Å; S217-G220 PolarHBondContact OG-N 3.16Å; E218-G220 VanDerWaalsContact C-N 3.34Å; G220-L222 VanDerWaalsContact C-N 3.32Å; G220-L222 PolarHBondContact O-N 3.36Å; G220-K223 PolarHBondContact O-N 3.12Å; G220-Y224 WeakPolarHBondContact O-CD2 3.36Å; G220-Y224 PolarHBondContact O-N 3.17Å; G220-Y224 VanDerWaalsContact O-N 3.16Å
221K97.3Very high97.3Very high45 Ų4558.9 Ų58.920%0.19630%0.302CS..Hα-helixtrans-56.6-47.1175.6-70.7179-172.9166.40111.4Y203 I216 S217 E218 K223 K225Y203-K221 WeakPolarHBondContact CE1-O 3.2Å; Y203-K221 PolarHBondContact OH-O 3.4Å; I216-K221 HydrophobicContact CD1-CG 4.07Å; I216-K221 HydrophobicContact CG1-CG 4.28Å; I216-K221 HydrophobicContact CG2-CD 4.34Å; I216-K221 HydrophobicContact CG2-CG 3.76Å; S217-K221 PolarHBondContact O-N 2.98Å; E218-K221 PolarHBondContact O-N 3.39Å; E218-K221 IonicContact OE1-NZ 3.23Å; E218-K221 PolarHBondContact OE1-NZ 3.47Å; K221-K223 PolarHBondContact O-N 3.39Å; K221-K225 WeakPolarHBondContact O-CB 3.48Å; K221-K225 PolarHBondContact O-N 3.23Å; K221-K225 VanDerWaalsContact O-N 3.16Å
222L97.1Very high97.3Very high144 Ų14456.3 Ų56.375%0.75429%0.287SS*.Hα-helixtrans-64.1-41.4-179.2-169.269.3000112.1E218 S219 G220 Y224E218-L222 WeakPolarHBondContact O-CB 3.49Å; E218-L222 PolarHBondContact O-N 2.94Å; S219-L222 PolarHBondContact O-N 3.47Å; G220-L222 VanDerWaalsContact C-N 3.32Å; G220-L222 PolarHBondContact O-N 3.36Å; L222-Y224 PolarHBondContact O-N 3.34Å
223K97.9Very high97.1Very high113 Ų11358.9 Ų58.949%0.49130%0.301SS..Hα-helixtrans-64.4-36.7-177.9-179.4-179.2176.7-1710113.4D39 S219 G220 K221D39-K223 VanDerWaalsContact CG-NZ 3.34Å; D39-K223 VanDerWaalsContact OD1-CD 3.23Å; D39-K223 WeakPolarHBondContact OD1-CD 3.23Å; D39-K223 IonicContact OD1-NZ 3.36Å; D39-K223 PolarHBondContact OD1-NZ 2.8Å; D39-K223 IonicContact OD2-NZ 3.23Å; D39-K223 PolarHBondContact OD2-NZ 3.16Å; S219-K223 VanDerWaalsContact O-CB 3.26Å; S219-K223 WeakPolarHBondContact O-CB 3.41Å; S219-K223 PolarHBondContact O-N 3.27Å; G220-K223 PolarHBondContact O-N 3.12Å; K221-K223 PolarHBondContact O-N 3.39Å
224Y97.4Very high97Very high24 Ų2463.5 Ų63.59%0.09432%0.324CS..Hα-helixtrans-110.17.9-171.2-63.3-65.6000113.9D39 N204 Y206 F207 G220 L222D39-Y224 HydrophobicContact CB-CE2 4.18Å; D39-Y224 PolarHBondContact OD2-OH 2.8Å; D39-Y224 VanDerWaalsContact OD2-OH 3.14Å; N204-Y224 WeakPolarHBondContact CB-O 3.44Å; N204-Y224 PolarHBondContact ND2-O 2.81Å; Y206-Y224 AromaticContact CD1-CD1 3.67Å; Y206-Y224 HydrophobicContact CD1-CD1 3.67Å; Y206-Y224 AromaticContact CD1-CE1 3.48Å; Y206-Y224 HydrophobicContact CD1-CE1 3.48Å; Y206-Y224 VanDerWaalsContact CD1-CE1 3.48Å; Y206-Y224 AromaticContact CD2-CD1 3.43Å; Y206-Y224 HydrophobicContact CD2-CD1 3.43Å; Y206-Y224 VanDerWaalsContact CD2-CD1 3.43Å; Y206-Y224 HydrophobicContact CD2-CE1 4.16Å; Y206-Y224 AromaticContact CD2-CG 3.96Å; Y206-Y224 HydrophobicContact CD2-CG 3.96Å; Y206-Y224 AromaticContact CE1-CD1 3.82Å; Y206-Y224 HydrophobicContact CE1-CD1 3.82Å; Y206-Y224 AromaticContact CE1-CE1 3.67Å; Y206-Y224 HydrophobicContact CE1-CE1 3.67Å; Y206-Y224 AromaticContact CE2-CD1 3.61Å; Y206-Y224 HydrophobicContact CE2-CD1 3.61Å; Y206-Y224 HydrophobicContact CE2-CE1 4.33Å; Y206-Y224 HydrophobicContact CE2-CG 4.43Å; Y206-Y224 AromaticContact CG-CD1 3.46Å; Y206-Y224 HydrophobicContact CG-CD1 3.46Å; Y206-Y224 VanDerWaalsContact CG-CD1 3.46Å; Y206-Y224 AromaticContact CG-CE1 3.74Å; Y206-Y224 HydrophobicContact CG-CE1 3.74Å; Y206-Y224 HydrophobicContact CG-CG 4.07Å; Y206-Y224 AromaticContact CZ-CD1 3.79Å; F207-Y224 HydrophobicContact CE1-CE2 4.11Å; F207-Y224 AromaticContact CE2-CD2 3.53Å; F207-Y224 HydrophobicContact CE2-CD2 3.53Å; F207-Y224 AromaticContact CE2-CE2 3.85Å; F207-Y224 HydrophobicContact CE2-CE2 3.85Å; F207-Y224 HydrophobicContact CE2-CG 4.23Å; F207-Y224 AromaticContact CZ-CD2 3.42Å; F207-Y224 HydrophobicContact CZ-CD2 3.42Å; F207-Y224 VanDerWaalsContact CZ-CD2 3.42Å; F207-Y224 AromaticContact CZ-CE2 3.31Å; F207-Y224 HydrophobicContact CZ-CE2 3.31Å; F207-Y224 HydrophobicContact CZ-CG 4.49Å; G220-Y224 WeakPolarHBondContact O-CD2 3.36Å; G220-Y224 PolarHBondContact O-N 3.17Å; G220-Y224 VanDerWaalsContact O-N 3.16Å; L222-Y224 PolarHBondContact O-N 3.34Å
225K95.1Very high96.9Very high139 Ų13968.8 Ų68.860%0.60435%0.351SS*.  trans-63.7145.5179.2-172.9173.5-179.6177.70111.6K221K221-K225 WeakPolarHBondContact O-CB 3.48Å; K221-K225 PolarHBondContact O-N 3.23Å; K221-K225 VanDerWaalsContact O-N 3.16Å
226V88.9Confident96.7Very high136 Ų13674.2 Ų74.282%0.82438%0.378SS*.  trans-120.30172.9-590000112.5V114 N115 N204V114-V226 HydrophobicContact CG1-CG2 4.06Å; N115-V226 PolarHBondContact ND2-O 3.15Å; N115-V226 PolarHBondContact OD1-N 3.35Å; N115-V226 PolarHBondContact OD1-O 3.03Å; N204-V226 HydrophobicContact CB-CG1 4.08Å; N204-V226 PolarHBondContact ND2-N 2.73Å

Retrieved 226 of 226 residues in 657 ms (Link to these results)

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