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ATP-dependent Clp protease adapter protein ClpS

Involved in the modulation of the specificity of the ClpAP-mediated ATP-dependent protein degradation.

AlphaFold DB , UniProt , Accession P0A8Q6, Species ECOLI (Escherichia coli (strain K12)), Gene clpS, Length 106 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low58.8Low248 Ų248148.4 Ų148.4100%1.22276%0.762SS**  0114.70-115.478.1122.700108.1
2G45Very low60.4Low75 Ų75145 Ų14577%0.77374%0.74SS**  trans107.4134.6173.200000114.1
3K50.2Low62Low198 Ų198139.7 Ų139.786%0.86171%0.714SS**  trans89.183.4177.2-52.9-177.8-178.9-178.10115.6
4T52.4Low63.4Low129 Ų129132.4 Ų132.479%0.79169%0.685SS**  trans176.695.814239.20000108
5N55Low64.7Low120 Ų120130.8 Ų130.864%0.64267%0.673SS**  trans-172.811149.2-107.825000115.6W7 L8N5-W7 PolarHBondContact O-N 3.32Å; N5-L8 WeakPolarHBondContact OD1-CD1 3.1Å
6D58.9Low65.8Low153 Ų153128.1 Ų128.182%0.81866%0.657SS**THydrogen-bonded Turntrans-77.1-6.5177.4-143.133.5000113.6
7W60.6Low66.8Low228 Ų228129.8 Ų129.886%0.86466%0.658SS**THydrogen-bonded Turntrans-97-5.4-177.9-55.495.8000113.7N5N5-W7 PolarHBondContact O-N 3.32Å
8L57.1Low67.6Low122 Ų122127.3 Ų127.364%0.63965%0.65SS**SBendtrans-92.4-5-176.7-94.1139.3000114N5N5-L8 WeakPolarHBondContact OD1-CD1 3.1Å
9D70.9Confident68.3Low89 Ų89128.8 Ų128.848%0.47665%0.647SS.*SBendtrans-97.1-24.9-179.2-167.336.6000112.8Q12 L13D9-Q12 PolarHBondContact O-N 3.42Å; D9-L13 WeakPolarHBondContact O-CB 3.3Å; D9-L13 VanDerWaalsContact O-CG 3.24Å; D9-L13 WeakPolarHBondContact O-CG 3.42Å; D9-L13 PolarHBondContact O-N 2.86Å
10F76.4Confident68.8Low157 Ų157127.1 Ų127.169%0.68964%0.64SS**Hα-helixtrans-67.7-42.1-176-168.6-93.6000113.1L13 A14F10-L13 PolarHBondContact O-N 2.95Å; F10-A14 VanDerWaalsContact O-CB 3.3Å; F10-A14 WeakPolarHBondContact O-CB 3.4Å; F10-A14 PolarHBondContact O-N 3.43Å
11D78.8Confident69.3Low113 Ų113125 Ų12560%0.60464%0.643SS**Hα-helixtrans-65.5-40.3178.2-73.4-23000111.2A14 E15D11-A14 PolarHBondContact O-N 2.87Å; D11-E15 WeakPolarHBondContact O-CB 3.35Å; D11-E15 WeakPolarHBondContact O-CG 3.47Å; D11-E15 PolarHBondContact O-N 3.46Å
12Q78.6Confident71.4Confident108 Ų108119.7 Ų119.751%0.50562%0.618SS.*Hα-helixtrans-65.4-45.3176.1-173.4177.3-23.700111.4D9 A14 E15 E16D9-Q12 PolarHBondContact O-N 3.42Å; Q12-A14 VanDerWaalsContact C-N 3.28Å; Q12-A14 PolarHBondContact O-N 3.27Å; Q12-E15 PolarHBondContact O-N 3.3Å; Q12-E16 PolarHBondContact NE2-OE1 3.5Å; Q12-E16 WeakPolarHBondContact O-CB 3.24Å; Q12-E16 WeakPolarHBondContact O-CG 3.32Å; Q12-E16 PolarHBondContact O-N 3.39Å
13L80.5Confident73.3Confident76 Ų76122.5 Ų122.540%0.39861%0.609SS.*Hα-helixtrans-61.5-36.8174.5-72.9170.1000112.2D9 F10 K17D9-L13 WeakPolarHBondContact O-CB 3.3Å; D9-L13 VanDerWaalsContact O-CG 3.24Å; D9-L13 WeakPolarHBondContact O-CG 3.42Å; D9-L13 PolarHBondContact O-N 2.86Å; F10-L13 PolarHBondContact O-N 2.95Å; L13-K17 WeakPolarHBondContact O-CB 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.43Å; L13-K17 PolarHBondContact O-N 3.02Å
14A82.1Confident74.9Confident38 Ų38118.6 Ų118.631%0.31460%0.604SS.*Hα-helixtrans-67.6-45.5175.500000111.2F10 D11 Q12 E16 K17 V18F10-A14 VanDerWaalsContact O-CB 3.3Å; F10-A14 WeakPolarHBondContact O-CB 3.4Å; F10-A14 PolarHBondContact O-N 3.43Å; D11-A14 PolarHBondContact O-N 2.87Å; Q12-A14 VanDerWaalsContact C-N 3.28Å; Q12-A14 PolarHBondContact O-N 3.27Å; A14-E16 PolarHBondContact O-N 3.31Å; A14-K17 PolarHBondContact O-N 2.92Å; A14-V18 VanDerWaalsContact O-CG2 3.27Å; A14-V18 WeakPolarHBondContact O-CG2 3.5Å; A14-V18 PolarHBondContact O-N 2.84Å
15E82.7Confident76.7Confident108 Ų108116.6 Ų116.651%0.50559%0.593SS.*Hα-helixtrans-60.1-44.3174.5-78.1-169.6-16200112.2D11 Q12 V18 R19D11-E15 WeakPolarHBondContact O-CB 3.35Å; D11-E15 WeakPolarHBondContact O-CG 3.47Å; D11-E15 PolarHBondContact O-N 3.46Å; Q12-E15 PolarHBondContact O-N 3.3Å; E15-V18 PolarHBondContact O-N 3.05Å; E15-R19 WeakPolarHBondContact O-CB 3.45Å; E15-R19 VanDerWaalsContact O-CG 3.25Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 PolarHBondContact O-N 2.87Å; E15-R19 IonicContact OE2-CZ 2.62Å; E15-R19 IonicContact OE2-NH2 3.84Å; E15-R19 PolarHBondContact OE2-NH2 3.37Å
16E83Confident78.5Confident87 Ų87114 Ų11441%0.40758%0.584SS.*Hα-helixtrans-62.8-44.2177.8-74.6176.4-173.800111.3Q12 A14 V18 R19 D20Q12-E16 PolarHBondContact NE2-OE1 3.5Å; Q12-E16 WeakPolarHBondContact O-CB 3.24Å; Q12-E16 WeakPolarHBondContact O-CG 3.32Å; Q12-E16 PolarHBondContact O-N 3.39Å; A14-E16 PolarHBondContact O-N 3.31Å; E16-V18 PolarHBondContact O-N 2.93Å; E16-R19 PolarHBondContact O-N 3.31Å; E16-D20 WeakPolarHBondContact O-CB 3.35Å; E16-D20 PolarHBondContact O-N 2.89Å
17K82.2Confident80.3Confident158 Ų158110.3 Ų110.369%0.68756%0.563SS**Hα-helixtrans-62-40.6174-78.4179.5178.3179.90113L13 A14 D20 A21L13-K17 WeakPolarHBondContact O-CB 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.43Å; L13-K17 PolarHBondContact O-N 3.02Å; A14-K17 PolarHBondContact O-N 2.92Å; K17-D20 PolarHBondContact O-N 2.89Å; K17-A21 WeakPolarHBondContact O-CB 3.21Å; K17-A21 PolarHBondContact O-N 3.03Å
18V82Confident82.1Confident85 Ų85102.5 Ų102.552%0.51553%0.534SS..Hα-helixtrans-64.9-44.8176.1170.50000110.1A14 E15 E16 D20 A21 L22A14-V18 VanDerWaalsContact O-CG2 3.27Å; A14-V18 WeakPolarHBondContact O-CG2 3.5Å; A14-V18 PolarHBondContact O-N 2.84Å; E15-V18 PolarHBondContact O-N 3.05Å; E16-V18 PolarHBondContact O-N 2.93Å; V18-D20 VanDerWaalsContact C-N 3.33Å; V18-D20 PolarHBondContact O-N 3.44Å; V18-A21 PolarHBondContact O-N 3.32Å; V18-L22 HydrophobicContact CG1-CD1 3.84Å; V18-L22 HydrophobicContact CG1-CG 4.43Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 3.18Å
19R79.7Confident84.1Confident156 Ų15698.6 Ų98.659%0.58951%0.512SS*.Hα-helixtrans-61.1-41.5176.6-71.3173.3-164.7-169.39.8111.8E15 E16 L22 K23E15-R19 WeakPolarHBondContact O-CB 3.45Å; E15-R19 VanDerWaalsContact O-CG 3.25Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 PolarHBondContact O-N 2.87Å; E15-R19 IonicContact OE2-CZ 2.62Å; E15-R19 IonicContact OE2-NH2 3.84Å; E15-R19 PolarHBondContact OE2-NH2 3.37Å; E16-R19 PolarHBondContact O-N 3.31Å; R19-L22 PolarHBondContact O-N 3.35Å; R19-K23 PolarHBondContact O-N 3.44Å
20D79.7Confident85.4Confident93 Ų9394.4 Ų94.450%0.49749%0.489SS..Hα-helixtrans-66.3-41.6176.7-82.6-10.6000112.6E16 K17 V18 L22 K23E16-D20 WeakPolarHBondContact O-CB 3.35Å; E16-D20 PolarHBondContact O-N 2.89Å; K17-D20 PolarHBondContact O-N 2.89Å; V18-D20 VanDerWaalsContact C-N 3.33Å; V18-D20 PolarHBondContact O-N 3.44Å; D20-L22 PolarHBondContact O-N 3.28Å; D20-K23 WeakPolarHBondContact O-CB 3.48Å; D20-K23 PolarHBondContact O-N 3.36Å; D20-K23 WeakPolarHBondContact OD1-CE 3.13Å; D20-K23 IonicContact OD1-NZ 3.85Å; D20-K23 PolarHBondContact OD1-NZ 2.62Å
21A78.9Confident86.5Confident85 Ų8587.1 Ų87.170%0.70246%0.458SS*.Hα-helixtrans-66.1-25.9176.300000113.1K17 V18K17-A21 WeakPolarHBondContact O-CB 3.21Å; K17-A21 PolarHBondContact O-N 3.03Å; V18-A21 PolarHBondContact O-N 3.32Å
22L85Confident87.4Confident136 Ų13681.8 Ų81.871%0.71243%0.429SS*.THydrogen-bonded Turntrans-86.7-5.2176.6-67.7172.5000113.5V18 R19 D20V18-L22 HydrophobicContact CG1-CD1 3.84Å; V18-L22 HydrophobicContact CG1-CG 4.43Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 3.18Å; R19-L22 PolarHBondContact O-N 3.35Å; D20-L22 PolarHBondContact O-N 3.28Å
23K83.8Confident88.4Confident134 Ų13478.7 Ų78.758%0.58342%0.417SS*.SBendtrans-62.5136.5174.1-73.4174.3177.91680109.2R19 D20R19-K23 PolarHBondContact O-N 3.44Å; D20-K23 WeakPolarHBondContact O-CB 3.48Å; D20-K23 PolarHBondContact O-N 3.36Å; D20-K23 WeakPolarHBondContact OD1-CE 3.13Å; D20-K23 IonicContact OD1-NZ 3.85Å; D20-K23 PolarHBondContact OD1-NZ 2.62Å
24P85.6Confident89.2Confident116 Ų11677.6 Ų77.675%0.75341%0.412SS*.PPolyproline II helixtrans-53.2143.8172.5-25.633.9000111
25P89Confident90Very high87 Ų8777.6 Ų77.657%0.56541%0.407SS*.PPolyproline II helixtrans-60.5144.6-179.825.6-34.1000110.7M27 T77P25-M27 PolarHBondContact O-N 2.77Å; P25-T77 HydrophobicContact CB-CG2 3.93Å; P25-T77 HydrophobicContact CG-CG2 3.84Å
26S92.3Very high90.8Very high64 Ų6479.3 Ų79.345%0.44842%0.42SS..PPolyproline II helixtrans-65128.5173.3-70.80000109.9A78S26-A78 PolarHBondContact O-N 3.34Å; S26-A78 VanDerWaalsContact O-N 3.08Å
27M97.6Very high91.5Very high77 Ų7784 Ų8438%0.37944%0.435SS..EExtended strand (participates in β ladder)trans-95.8146178.4-58.4-60.5-71.700110.2P25 V75 F76 T77 A106P25-M27 PolarHBondContact O-N 2.77Å; M27-V75 HydrophobicContact CB-CG1 4Å; M27-V75 HydrophobicContact CE-CG1 4.12Å; M27-F76 CarbonylContact C-O 3.5Å; M27-F76 VanDerWaalsContact CA-O 3.29Å; M27-F76 WeakPolarHBondContact CA-O 3.44Å; M27-T77 HydrophobicContact SD-CG2 3.96Å; M27-A106 VanDerWaalsContact C-CB 3.48Å; M27-A106 HydrophobicContact CB-CB 3.71Å; M27-A106 VanDerWaalsContact O-CB 3.23Å; M27-A106 WeakPolarHBondContact O-CB 2.81Å; M27-A106 PolarHBondContact O-N 2.9Å
28Y98.5Very high92.3Very high64 Ų6477.3 Ų77.325%0.25141%0.407SS..EExtended strand (participates in β ladder)trans-135.3137.9-178.3-76.1-98.2000110.4V75 F76 A78 L103 E104 K105Y28-V75 CarbonylContact O-C 3.58Å; Y28-V75 VanDerWaalsContact O-CA 3.31Å; Y28-V75 WeakPolarHBondContact O-CA 3.25Å; Y28-F76 PolarHBondContact N-O 3.46Å; Y28-F76 PolarHBondContact O-N 2.94Å; Y28-A78 HydrophobicContact CD2-CB 3.74Å; Y28-A78 HydrophobicContact CE2-CB 3.61Å; Y28-L103 HydrophobicContact CD1-CB 4.34Å; Y28-E104 CarbonylContact C-O 3.45Å; Y28-E104 WeakPolarHBondContact CA-O 3.23Å; Y28-K105 HydrophobicContact CD1-CB 4.41Å; Y28-K105 HydrophobicContact CE1-CB 4.1Å; Y28-K105 HydrophobicContact CE1-CG 4.45Å
29K98.6Very high93.1Very high40 Ų4076.1 Ų76.117%0.17440%0.401CS..EExtended strand (participates in β ladder)trans-78.8129.1169.5-63.5159.2-173.2138.30108.3I31 I72 G74 V75 L103 E104 K105 A106K29-I31 HydrophobicContact CB-CD1 4.25Å; K29-I31 HydrophobicContact CB-CG1 4.12Å; K29-I72 HydrophobicContact CB-CG2 4.19Å; K29-I72 HydrophobicContact CD-CD1 3.92Å; K29-I72 HydrophobicContact CG-CD1 4.26Å; K29-I72 HydrophobicContact CG-CG2 4.33Å; K29-G74 WeakPolarHBondContact CA-O 3.44Å; K29-V75 HydrophobicContact CG-CG2 4.02Å; K29-L103 WeakPolarHBondContact O-CA 3.44Å; K29-E104 HydrophobicContact CB-CB 4.4Å; K29-E104 PolarHBondContact N-O 3.37Å; K29-E104 IonicContact NZ-OE1 3.95Å; K29-E104 PolarHBondContact O-N 2.95Å; K29-K105 PolarHBondContact NZ-O 3.48Å; K29-A106 WeakPolarHBondContact CE-OXT 3.33Å; K29-A106 HydrophobicContact CG-CB 4.36Å; K29-A106 PolarHBondContact NZ-OXT 2.9Å
30V98.7Very high94Very high0 Ų072.5 Ų72.50%039%0.392CS..EExtended strand (participates in β ladder)trans-93.9124.8166.3178.60000107.7F51 C73 G74 F76 A81 V85 C101 L103V30-F51 HydrophobicContact CB-CE1 4.09Å; V30-F51 HydrophobicContact CB-CZ 4.44Å; V30-F51 HydrophobicContact CG1-CE1 3.75Å; V30-F51 HydrophobicContact CG1-CZ 3.6Å; V30-C73 PolarHBondContact O-N 3.49Å; V30-G74 PolarHBondContact N-O 3.35Å; V30-F76 HydrophobicContact CB-CD2 4.38Å; V30-F76 HydrophobicContact CB-CE2 4.29Å; V30-F76 HydrophobicContact CG2-CD2 3.62Å; V30-F76 HydrophobicContact CG2-CE2 3.95Å; V30-A81 HydrophobicContact CG2-CB 3.82Å; V30-V85 HydrophobicContact CG1-CG2 3.94Å; V30-V85 HydrophobicContact CG2-CG2 4.41Å; V30-C101 VanDerWaalsContact CG1-SG 3.53Å; V30-L103 HydrophobicContact CB-CD2 4.49Å; V30-L103 HydrophobicContact CG2-CD2 3.72Å
31I98.8Very high94.9Very high5 Ų575.1 Ų75.13%0.02640%0.401CS..EExtended strand (participates in β ladder)trans-125.2132.4-169.4-60174.1000109.3K29 V33 K70 A71 I72 C101 T102 E104K29-I31 HydrophobicContact CB-CD1 4.25Å; K29-I31 HydrophobicContact CB-CG1 4.12Å; I31-V33 HydrophobicContact CG2-CG2 4.4Å; I31-K70 HydrophobicContact CG2-CB 3.89Å; I31-K70 HydrophobicContact CG2-CD 4.19Å; I31-K70 HydrophobicContact CG2-CG 4.46Å; I31-A71 WeakPolarHBondContact CA-O 3.4Å; I31-I72 HydrophobicContact CG1-CG1 4.2Å; I31-C101 CarbonylContact O-C 3.56Å; I31-C101 WeakPolarHBondContact O-CA 3.37Å; I31-T102 HydrophobicContact CB-CG2 3.94Å; I31-T102 HydrophobicContact CG2-CG2 4.32Å; I31-T102 PolarHBondContact N-O 3.47Å; I31-T102 PolarHBondContact O-N 3.02Å; I31-E104 HydrophobicContact CD1-CB 3.71Å
32L98.8Very high95.8Very high0 Ų071.8 Ų71.80%037%0.371CS..EExtended strand (participates in β ladder)trans-93.6136.1163.4-73.5178.6000109.8V43 V46 L47 V65 K70 A71 C73 V88 L99 C101L32-V43 HydrophobicContact CD1-CG1 4.06Å; L32-V46 HydrophobicContact CD1-CG1 4.3Å; L32-L47 HydrophobicContact CD1-CD2 4.22Å; L32-L47 HydrophobicContact CD1-CG 4.37Å; L32-V65 HydrophobicContact CB-CG2 3.87Å; L32-K70 CarbonylContact O-C 3.53Å; L32-K70 WeakPolarHBondContact O-CA 3.38Å; L32-K70 WeakPolarHBondContact O-CB 3.4Å; L32-A71 PolarHBondContact N-O 2.83Å; L32-A71 PolarHBondContact O-N 2.98Å; L32-C73 WeakPolarHBondContact CG-SG 3.28Å; L32-V88 HydrophobicContact CD2-CG1 4.11Å; L32-L99 HydrophobicContact CD2-CD1 4.09Å; L32-L99 HydrophobicContact CD2-CD2 4Å; L32-L99 HydrophobicContact CD2-CG 4.02Å; L32-C101 HydrophobicContact CD2-CB 3.85Å
33V98.7Very high96.5Very high43 Ų4365.8 Ų65.826%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-109.3135.7178.8-175.50000108.8I31 L100 T102I31-V33 HydrophobicContact CG2-CG2 4.4Å; V33-L100 HydrophobicContact CB-CB 4.25Å; V33-L100 HydrophobicContact CB-CD2 4.27Å; V33-L100 HydrophobicContact CB-CG 4.45Å; V33-L100 HydrophobicContact CG2-CD2 4.18Å; V33-L100 HydrophobicContact CG2-CG 4.39Å; V33-L100 PolarHBondContact N-O 3.44Å; V33-T102 HydrophobicContact CG2-CG2 4.09Å
34N98.6Very high97.2Very high54 Ų5460 Ų6029%0.28932%0.315SS..  trans-66.1149.2180-170.857.1000112V65 G69N34-V65 HydrophobicContact CB-CG1 3.87Å; N34-V65 WeakPolarHBondContact CB-O 3.32Å; N34-G69 WeakPolarHBondContact CB-O 3.44Å; N34-G69 PolarHBondContact N-O 3.03Å
35D98.6Very high97.8Very high37 Ų3757.2 Ų57.220%0.19829%0.294CS..  trans-148.1166.3169.671.981.6000109.2Y37 T38 L99D35-Y37 WeakPolarHBondContact OD1-CA 3.39Å; D35-Y37 PolarHBondContact OD1-N 3.44Å; D35-T38 VanDerWaalsContact CG-OG1 3.28Å; D35-T38 PolarHBondContact OD1-N 3.44Å; D35-T38 PolarHBondContact OD1-OG1 2.91Å; D35-T38 VanDerWaalsContact OD1-OG1 3.09Å; D35-T38 WeakPolarHBondContact OD2-CB 3.36Å; D35-T38 PolarHBondContact OD2-OG1 3.19Å; D35-L99 WeakPolarHBondContact OD2-CA 3.49Å
36D98.1Very high98.3Very high145 Ų14553 Ų5378%0.77527%0.267SS*.SBendtrans-91.77.8-173.7-62.8-35.3000113.9
37Y98.3Very high98.6Very high185 Ų18550 Ų5073%0.72525%0.246SC*.SBendtrans-126.3-27.2-168.9-57.5-78.7000114.2D35 P39 P98D35-Y37 WeakPolarHBondContact OD1-CA 3.39Å; D35-Y37 PolarHBondContact OD1-N 3.44Å; Y37-P39 WeakPolarHBondContact O-CD 3.22Å; Y37-P98 HydrophobicContact CD2-CG 4.17Å; Y37-P98 HydrophobicContact CG-CG 4.31Å
38T98.7Very high98.6Very high18 Ų1850.2 Ų50.211%0.1125%0.246CC..SBendtrans-74.1122.5179.4-58.70000110.2D35 F42 V43 H97 L99D35-T38 VanDerWaalsContact CG-OG1 3.28Å; D35-T38 PolarHBondContact OD1-N 3.44Å; D35-T38 PolarHBondContact OD1-OG1 2.91Å; D35-T38 VanDerWaalsContact OD1-OG1 3.09Å; D35-T38 WeakPolarHBondContact OD2-CB 3.36Å; D35-T38 PolarHBondContact OD2-OG1 3.19Å; T38-F42 HydrophobicContact CG2-CB 4.31Å; T38-F42 HydrophobicContact CG2-CD1 3.61Å; T38-F42 HydrophobicContact CG2-CE1 4.46Å; T38-F42 HydrophobicContact CG2-CG 4.38Å; T38-V43 HydrophobicContact CG2-CG2 3.81Å; T38-H97 HydrophobicContact CG2-CB 4.15Å; T38-L99 HydrophobicContact CG2-CB 3.9Å; T38-L99 HydrophobicContact CG2-CD1 4.24Å; T38-L99 HydrophobicContact CG2-CD2 4.38Å; T38-L99 HydrophobicContact CG2-CG 4.39Å; T38-L99 WeakPolarHBondContact OG1-CA 3.39Å; T38-L99 WeakPolarHBondContact OG1-CB 3.29Å; T38-L99 PolarHBondContact OG1-N 3.34Å; T38-L99 VanDerWaalsContact OG1-N 3.15Å
39P98.7Very high98.6Very high60 Ų6052.4 Ų52.439%0.3926%0.257SS..  trans-61.2141.7177.2-23.634.5000112.8Y37 E41 F42 V43 H97Y37-P39 WeakPolarHBondContact O-CD 3.22Å; P39-E41 VanDerWaalsContact C-N 3.28Å; P39-E41 PolarHBondContact O-N 3.37Å; P39-F42 HydrophobicContact CB-CB 4.32Å; P39-F42 WeakPolarHBondContact O-CB 3.36Å; P39-F42 PolarHBondContact O-N 2.88Å; P39-V43 PolarHBondContact O-N 3.21Å; P39-H97 WeakPolarHBondContact CD-CE1 3.43Å; P39-H97 WeakPolarHBondContact CD-ND1 3.45Å
40M98.5Very high98.6Very high80 Ų8051.6 Ų51.639%0.39425%0.253SS..Hα-helixtrans-56.5-41177.3-68.9-174.517800112.6F42 V43 I44 M62M40-F42 VanDerWaalsContact C-N 3.26Å; M40-F42 PolarHBondContact O-N 2.96Å; M40-V43 WeakPolarHBondContact O-CB 3.43Å; M40-V43 PolarHBondContact O-N 2.96Å; M40-V43 VanDerWaalsContact O-N 3.16Å; M40-I44 WeakPolarHBondContact O-CG1 3.49Å; M40-I44 PolarHBondContact O-N 3.46Å; M40-M62 HydrophobicContact CB-CE 3.85Å; M40-M62 HydrophobicContact CB-CG 4.26Å; M40-M62 HydrophobicContact CB-SD 3.71Å; M40-M62 HydrophobicContact CE-SD 4.49Å; M40-M62 HydrophobicContact CG-CE 4.1Å; M40-M62 HydrophobicContact CG-SD 3.54Å; M40-M62 VanDerWaalsContact CG-SD 3.54Å; M40-M62 HydrophobicContact SD-CE 3.92Å; M40-M62 HydrophobicContact SD-SD 3.8Å
41E98.5Very high98.6Very high147 Ų14752.5 Ų52.569%0.68726%0.257SS*.Hα-helixtrans-59.9-36.2176.3-63.3-58.5145.300112.3P39 I44 D45P39-E41 VanDerWaalsContact C-N 3.28Å; P39-E41 PolarHBondContact O-N 3.37Å; E41-I44 PolarHBondContact O-N 3.27Å; E41-D45 PolarHBondContact O-N 3.46Å
42F98.8Very high98.6Very high16 Ų1657.4 Ų57.47%0.0729%0.292CS..Hα-helixtrans-69.1-39.2176.7-177-98.5000111.8T38 P39 M40 I44 D45 V46 Y91 A92 N95 H97 L99T38-F42 HydrophobicContact CG2-CB 4.31Å; T38-F42 HydrophobicContact CG2-CD1 3.61Å; T38-F42 HydrophobicContact CG2-CE1 4.46Å; T38-F42 HydrophobicContact CG2-CG 4.38Å; P39-F42 HydrophobicContact CB-CB 4.32Å; P39-F42 WeakPolarHBondContact O-CB 3.36Å; P39-F42 PolarHBondContact O-N 2.88Å; M40-F42 VanDerWaalsContact C-N 3.26Å; M40-F42 PolarHBondContact O-N 2.96Å; F42-I44 VanDerWaalsContact C-N 3.29Å; F42-I44 PolarHBondContact O-N 3.15Å; F42-D45 PolarHBondContact O-N 3.08Å; F42-V46 HydrophobicContact CD1-CG2 4.09Å; F42-V46 HydrophobicContact CE1-CG2 3.64Å; F42-V46 HydrophobicContact CZ-CG2 3.89Å; F42-V46 WeakPolarHBondContact O-CG2 3.29Å; F42-V46 PolarHBondContact O-N 3.34Å; F42-Y91 HydrophobicContact CD2-CE1 4.44Å; F42-Y91 AromaticContact CE2-CD1 3.8Å; F42-Y91 HydrophobicContact CE2-CD1 3.8Å; F42-Y91 AromaticContact CE2-CE1 3.46Å; F42-Y91 HydrophobicContact CE2-CE1 3.46Å; F42-Y91 VanDerWaalsContact CE2-CE1 3.46Å; F42-Y91 AromaticContact CZ-CD1 3.54Å; F42-Y91 HydrophobicContact CZ-CD1 3.54Å; F42-Y91 AromaticContact CZ-CE1 3.71Å; F42-Y91 HydrophobicContact CZ-CE1 3.71Å; F42-Y91 HydrophobicContact CZ-CG 4.45Å; F42-A92 HydrophobicContact CE1-CB 4.11Å; F42-A92 HydrophobicContact CZ-CB 4.36Å; F42-N95 HydrophobicContact CD2-CB 4.39Å; F42-N95 HydrophobicContact CE2-CB 3.65Å; F42-N95 HydrophobicContact CZ-CB 4.08Å; F42-H97 HydrophobicContact CD1-CB 4.3Å; F42-H97 AromaticContact CD1-CD2 3.48Å; F42-H97 VanDerWaalsContact CD1-CD2 3.48Å; F42-H97 WeakPolarHBondContact CD1-CD2 3.39Å; F42-H97 AromaticContact CD2-CD2 3.44Å; F42-H97 VanDerWaalsContact CD2-CD2 3.44Å; F42-H97 WeakPolarHBondContact CD2-CD2 3.37Å; F42-H97 AromaticContact CD2-NE2 3.82Å; F42-H97 HydrophobicContact CE1-CB 4.18Å; F42-H97 AromaticContact CE1-CD2 3.75Å; F42-H97 AromaticContact CE2-CD2 3.72Å; F42-H97 AromaticContact CG-CD2 3.31Å; F42-H97 WeakPolarHBondContact CG-CD2 3.45Å; F42-H97 AromaticContact CG-NE2 3.8Å; F42-H97 AromaticContact CZ-CD2 3.87Å; F42-L99 HydrophobicContact CD1-CD2 4.16Å; F42-L99 HydrophobicContact CE1-CD2 3.93Å
43V98.8Very high98.6Very high10 Ų1060.5 Ų60.56%0.06130%0.304CS..Hα-helixtrans-62.6-39.7174.5-179.90000110.8L32 T38 P39 M40 V46 L47 M62 L99L32-V43 HydrophobicContact CD1-CG1 4.06Å; T38-V43 HydrophobicContact CG2-CG2 3.81Å; P39-V43 PolarHBondContact O-N 3.21Å; M40-V43 WeakPolarHBondContact O-CB 3.43Å; M40-V43 PolarHBondContact O-N 2.96Å; M40-V43 VanDerWaalsContact O-N 3.16Å; V43-V46 PolarHBondContact O-N 3Å; V43-L47 HydrophobicContact CG1-CD1 4.08Å; V43-L47 VanDerWaalsContact O-CG 3.29Å; V43-L47 WeakPolarHBondContact O-CG 3.36Å; V43-L47 PolarHBondContact O-N 3.46Å; V43-L47 VanDerWaalsContact O-N 3.08Å; V43-M62 HydrophobicContact CB-CB 4.34Å; V43-M62 HydrophobicContact CB-CG 3.77Å; V43-M62 HydrophobicContact CG1-CB 3.84Å; V43-M62 HydrophobicContact CG1-CG 3.74Å; V43-L99 HydrophobicContact CG2-CD1 4.23Å
44I98.8Very high98.6Very high12 Ų1262.8 Ų62.86%0.06232%0.315CS..Hα-helixtrans-63-48.9174.3-67.5171.3000110.5M40 E41 F42 V46 L47 Q48 A58 M62M40-I44 WeakPolarHBondContact O-CG1 3.49Å; M40-I44 PolarHBondContact O-N 3.46Å; E41-I44 PolarHBondContact O-N 3.27Å; F42-I44 VanDerWaalsContact C-N 3.29Å; F42-I44 PolarHBondContact O-N 3.15Å; I44-V46 VanDerWaalsContact C-N 3.32Å; I44-V46 PolarHBondContact O-N 3.4Å; I44-L47 PolarHBondContact O-N 2.93Å; I44-L47 VanDerWaalsContact O-N 3.08Å; I44-Q48 HydrophobicContact CG2-CG 4.33Å; I44-Q48 WeakPolarHBondContact O-CG 3.31Å; I44-Q48 PolarHBondContact O-N 2.94Å; I44-A58 HydrophobicContact CG2-CB 3.94Å; I44-M62 HydrophobicContact CD1-CE 4.05Å; I44-M62 HydrophobicContact CG1-CB 4.03Å; I44-M62 HydrophobicContact CG1-CE 4.47Å; I44-M62 HydrophobicContact CG1-CG 4.2Å
45D98.8Very high98.6Very high57 Ų5763.6 Ų63.631%0.30532%0.322SS..Hα-helixtrans-55.1-45.9176.4177.945.3000111.7E41 F42 L47 Q48 K49 Y91E41-D45 PolarHBondContact O-N 3.46Å; F42-D45 PolarHBondContact O-N 3.08Å; D45-L47 VanDerWaalsContact C-N 3.34Å; D45-L47 PolarHBondContact O-N 3.48Å; D45-Q48 PolarHBondContact O-N 2.98Å; D45-K49 WeakPolarHBondContact O-CB 3.23Å; D45-K49 PolarHBondContact O-N 3.35Å; D45-Y91 VanDerWaalsContact OD2-CE1 3.27Å; D45-Y91 WeakPolarHBondContact OD2-CE1 3.2Å; D45-Y91 PolarHBondContact OD2-OH 3.5Å
46V98.8Very high98.6Very high0 Ų068.1 Ų68.10%034%0.342CS..Hα-helixtrans-56.4-46.4175.2164.20000111.8L32 F42 V43 I44 F50 F51 V88 Y91 L99L32-V46 HydrophobicContact CD1-CG1 4.3Å; F42-V46 HydrophobicContact CD1-CG2 4.09Å; F42-V46 HydrophobicContact CE1-CG2 3.64Å; F42-V46 HydrophobicContact CZ-CG2 3.89Å; F42-V46 WeakPolarHBondContact O-CG2 3.29Å; F42-V46 PolarHBondContact O-N 3.34Å; V43-V46 PolarHBondContact O-N 3Å; I44-V46 VanDerWaalsContact C-N 3.32Å; I44-V46 PolarHBondContact O-N 3.4Å; V46-F50 HydrophobicContact CB-CD2 4.44Å; V46-F50 HydrophobicContact CG1-CD2 4.12Å; V46-F50 WeakPolarHBondContact O-CD2 3.4Å; V46-F50 PolarHBondContact O-N 3.49Å; V46-F51 HydrophobicContact CG1-CE2 4.4Å; V46-V88 HydrophobicContact CG1-CG1 3.68Å; V46-V88 HydrophobicContact CG1-CG2 4.05Å; V46-Y91 HydrophobicContact CG2-CD1 4.01Å; V46-Y91 HydrophobicContact CG2-CE1 4.28Å; V46-L99 HydrophobicContact CG1-CD2 4.47Å; V46-L99 HydrophobicContact CG2-CD2 4.09Å
47L98.8Very high98.6Very high0 Ų065.9 Ų65.90%032%0.322CS..Hα-helixtrans-66.2-40.8-179.1-72.6166.3000112L32 V43 I44 D45 F51 S52 Y53 A58 L61 M62 C73L32-L47 HydrophobicContact CD1-CD2 4.22Å; L32-L47 HydrophobicContact CD1-CG 4.37Å; V43-L47 HydrophobicContact CG1-CD1 4.08Å; V43-L47 VanDerWaalsContact O-CG 3.29Å; V43-L47 WeakPolarHBondContact O-CG 3.36Å; V43-L47 PolarHBondContact O-N 3.46Å; V43-L47 VanDerWaalsContact O-N 3.08Å; I44-L47 PolarHBondContact O-N 2.93Å; I44-L47 VanDerWaalsContact O-N 3.08Å; D45-L47 VanDerWaalsContact C-N 3.34Å; D45-L47 PolarHBondContact O-N 3.48Å; L47-F51 HydrophobicContact CD2-CD2 4.18Å; L47-F51 CarbonylContact O-C 3.46Å; L47-F51 WeakPolarHBondContact O-CA 3.3Å; L47-F51 VanDerWaalsContact O-CB 3.3Å; L47-F51 WeakPolarHBondContact O-CB 3.31Å; L47-F51 PolarHBondContact O-N 3.26Å; L47-F51 VanDerWaalsContact O-N 3.13Å; L47-S52 PolarHBondContact O-N 3.28Å; L47-Y53 HydrophobicContact CB-CD2 4.37Å; L47-Y53 HydrophobicContact CD2-CD2 4.21Å; L47-Y53 HydrophobicContact CD2-CE2 4.46Å; L47-Y53 PolarHBondContact O-N 3.46Å; L47-A58 HydrophobicContact CB-CB 3.73Å; L47-A58 HydrophobicContact CD1-CB 4.28Å; L47-A58 VanDerWaalsContact CD1-O 3.25Å; L47-A58 WeakPolarHBondContact CD1-O 3.36Å; L47-L61 HydrophobicContact CD1-CB 3.78Å; L47-L61 HydrophobicContact CD2-CB 4.42Å; L47-L61 HydrophobicContact CD2-CD1 4.12Å; L47-M62 HydrophobicContact CD1-CB 4.39Å; L47-C73 HydrophobicContact CD2-CB 4.08Å
48Q98.7Very high98.6Very high82 Ų8257.1 Ų57.138%0.38329%0.288SS..Hα-helixtrans-69-46176.3-61.5-167.3-82.600111.5I44 D45 S52 Y53 A58I44-Q48 HydrophobicContact CG2-CG 4.33Å; I44-Q48 WeakPolarHBondContact O-CG 3.31Å; I44-Q48 PolarHBondContact O-N 2.94Å; D45-Q48 PolarHBondContact O-N 2.98Å; Q48-S52 VanDerWaalsContact O-CA 3.3Å; Q48-S52 WeakPolarHBondContact O-CA 3.34Å; Q48-S52 PolarHBondContact O-N 2.78Å; Q48-S52 VanDerWaalsContact O-N 3.14Å; Q48-Y53 WeakPolarHBondContact CG-O 3.38Å; Q48-A58 HydrophobicContact CG-CB 3.94Å
49K98.5Very high98.6Very high110 Ų11058.4 Ų58.448%0.47830%0.296SS..Hα-helixtrans-70.5-44.1-173.5-172.9173.5-169.7170.50113.7D45 Y91D45-K49 WeakPolarHBondContact O-CB 3.23Å; D45-K49 PolarHBondContact O-N 3.35Å; K49-Y91 HydrophobicContact CD-CE1 4.27Å; K49-Y91 VanDerWaalsContact NZ-CZ 3.25Å; K49-Y91 PolarHBondContact NZ-OH 2.95Å; K49-Y91 VanDerWaalsContact NZ-OH 3.16Å
50F98.5Very high98.6Very high23 Ų2361 Ų6110%0.10130%0.303CS..Hα-helixtrans-103.6-18.7-173.1-58.9-71.9000113.7V46 K84 M87 V88 Y91V46-F50 HydrophobicContact CB-CD2 4.44Å; V46-F50 HydrophobicContact CG1-CD2 4.12Å; V46-F50 WeakPolarHBondContact O-CD2 3.4Å; V46-F50 PolarHBondContact O-N 3.49Å; F50-K84 PolarHBondContact O-NZ 3.3Å; F50-M87 HydrophobicContact CD1-CB 4.12Å; F50-M87 HydrophobicContact CD1-CE 3.98Å; F50-M87 HydrophobicContact CE1-CB 3.94Å; F50-M87 HydrophobicContact CE1-CE 3.89Å; F50-V88 HydrophobicContact CB-CG2 4.01Å; F50-V88 HydrophobicContact CD2-CG2 3.75Å; F50-V88 HydrophobicContact CE2-CG2 4.38Å; F50-V88 HydrophobicContact CG-CG2 3.89Å; F50-Y91 AromaticContact CE2-CD1 3.58Å; F50-Y91 HydrophobicContact CE2-CD1 3.58Å; F50-Y91 HydrophobicContact CE2-CE1 4.22Å; F50-Y91 AromaticContact CE2-CG 3.87Å; F50-Y91 HydrophobicContact CE2-CG 3.87Å; F50-Y91 HydrophobicContact CZ-CD1 4.01Å; F50-Y91 HydrophobicContact CZ-CD2 4.42Å; F50-Y91 AromaticContact CZ-CG 3.81Å; F50-Y91 HydrophobicContact CZ-CG 3.81Å
51F98.4Very high98.6Very high18 Ų1857.8 Ų57.88%0.07929%0.287CS..Hα-helixtrans-117.8-0.5-179-56.3-97.3000113.3V30 V46 L47 Y53 C73 F76 K84 V88V30-F51 HydrophobicContact CB-CE1 4.09Å; V30-F51 HydrophobicContact CB-CZ 4.44Å; V30-F51 HydrophobicContact CG1-CE1 3.75Å; V30-F51 HydrophobicContact CG1-CZ 3.6Å; V46-F51 HydrophobicContact CG1-CE2 4.4Å; L47-F51 HydrophobicContact CD2-CD2 4.18Å; L47-F51 CarbonylContact O-C 3.46Å; L47-F51 WeakPolarHBondContact O-CA 3.3Å; L47-F51 VanDerWaalsContact O-CB 3.3Å; L47-F51 WeakPolarHBondContact O-CB 3.31Å; L47-F51 PolarHBondContact O-N 3.26Å; L47-F51 VanDerWaalsContact O-N 3.13Å; F51-Y53 HydrophobicContact CB-CD2 3.68Å; F51-Y53 HydrophobicContact CB-CE2 3.77Å; F51-Y53 PolarHBondContact O-N 3.16Å; F51-C73 HydrophobicContact CD1-CB 3.71Å; F51-C73 WeakPolarHBondContact CD1-O 3.28Å; F51-C73 HydrophobicContact CD2-CB 4.39Å; F51-C73 HydrophobicContact CE1-CB 3.39Å; F51-C73 HydrophobicContact CE2-CB 4.11Å; F51-C73 HydrophobicContact CG-CB 4.21Å; F51-C73 HydrophobicContact CZ-CB 3.6Å; F51-F76 HydrophobicContact CD1-CE2 4.15Å; F51-F76 HydrophobicContact CD1-CZ 4.06Å; F51-F76 HydrophobicContact CE1-CE2 4.01Å; F51-F76 HydrophobicContact CE1-CZ 4.36Å; F51-K84 HydrophobicContact CD1-CD 4.31Å; F51-K84 HydrophobicContact CE1-CD 4.01Å; F51-V88 HydrophobicContact CE2-CG2 4.02Å; F51-V88 HydrophobicContact CZ-CG2 4.39Å
52S98.3Very high98.6Very high109 Ų10951.3 Ų51.376%0.76226%0.257SS*.  trans58.630.2176.5-54.90000113.5L47 Q48L47-S52 PolarHBondContact O-N 3.28Å; Q48-S52 VanDerWaalsContact O-CA 3.3Å; Q48-S52 WeakPolarHBondContact O-CA 3.34Å; Q48-S52 PolarHBondContact O-N 2.78Å; Q48-S52 VanDerWaalsContact O-N 3.14Å
53Y98.5Very high98.6Very high64 Ų6453.8 Ų53.825%0.25127%0.27SS..  trans-77.2147.3173.6-73.2-49.7000111.5L47 Q48 F51 R57 L61 C73L47-Y53 HydrophobicContact CB-CD2 4.37Å; L47-Y53 HydrophobicContact CD2-CD2 4.21Å; L47-Y53 HydrophobicContact CD2-CE2 4.46Å; L47-Y53 PolarHBondContact O-N 3.46Å; Q48-Y53 WeakPolarHBondContact CG-O 3.38Å; F51-Y53 HydrophobicContact CB-CD2 3.68Å; F51-Y53 HydrophobicContact CB-CE2 3.77Å; F51-Y53 PolarHBondContact O-N 3.16Å; Y53-R57 HydrophobicContact CD1-CB 4.09Å; Y53-R57 HydrophobicContact CD1-CG 3.32Å; Y53-R57 HydrophobicContact CD2-CG 4.41Å; Y53-R57 HydrophobicContact CE1-CG 3.7Å; Y53-R57 HydrophobicContact CG-CB 4.31Å; Y53-R57 HydrophobicContact CG-CG 3.73Å; Y53-L61 HydrophobicContact CD2-CD1 3.68Å; Y53-L61 HydrophobicContact CE2-CD1 3.25Å; Y53-C73 WeakPolarHBondContact CE2-O 3.32Å; Y53-C73 PolarHBondContact OH-O 3.3Å
54D98.6Very high98.6Very high91 Ų9154.3 Ų54.349%0.48728%0.276SS..  trans-68.1170.4163.359.230.1000110.6E56 R57 A58D54-E56 VanDerWaalsContact C-N 3.31Å; D54-E56 PolarHBondContact O-N 2.91Å; D54-E56 PolarHBondContact OD1-N 3.25Å; D54-R57 PolarHBondContact O-N 2.97Å; D54-R57 WeakPolarHBondContact OD1-CA 3.46Å; D54-R57 WeakPolarHBondContact OD1-CB 3.31Å; D54-R57 PolarHBondContact OD1-N 3.47Å; D54-A58 WeakPolarHBondContact O-CB 3.38Å; D54-A58 PolarHBondContact O-N 2.67Å
55V98.5Very high98.6Very high72 Ų7254 Ų5444%0.43627%0.274SS..Hα-helixtrans-65.3-37.4-176.163.50000111.4T59V55-T59 VanDerWaalsContact O-CB 3.28Å; V55-T59 WeakPolarHBondContact O-CB 3.48Å; V55-T59 PolarHBondContact O-N 3.13Å; V55-T59 PolarHBondContact O-OG1 3.14Å
56E98.6Very high98.6Very high132 Ų13254.8 Ų54.862%0.61728%0.276SS*.Hα-helixtrans-64.1-47.9-179.7-62.786.8174.800111.1D54 T59 Q60D54-E56 VanDerWaalsContact C-N 3.31Å; D54-E56 PolarHBondContact O-N 2.91Å; D54-E56 PolarHBondContact OD1-N 3.25Å; E56-T59 PolarHBondContact O-N 3.26Å; E56-Q60 PolarHBondContact O-N 3.14Å
57R98.5Very high98.6Very high98 Ų9863.2 Ų63.237%0.3731%0.309SS..Hα-helixtrans-69.4-40.3179.3-177.756.7179.4177.90.5111.9Y53 D54 T59 Q60 L61Y53-R57 HydrophobicContact CD1-CB 4.09Å; Y53-R57 HydrophobicContact CD1-CG 3.32Å; Y53-R57 HydrophobicContact CD2-CG 4.41Å; Y53-R57 HydrophobicContact CE1-CG 3.7Å; Y53-R57 HydrophobicContact CG-CB 4.31Å; Y53-R57 HydrophobicContact CG-CG 3.73Å; D54-R57 PolarHBondContact O-N 2.97Å; D54-R57 WeakPolarHBondContact OD1-CA 3.46Å; D54-R57 WeakPolarHBondContact OD1-CB 3.31Å; D54-R57 PolarHBondContact OD1-N 3.47Å; R57-T59 VanDerWaalsContact C-N 3.34Å; R57-Q60 PolarHBondContact O-N 3.39Å; R57-L61 PolarHBondContact O-N 2.93Å
58A98.7Very high98.5Very high0 Ų070.4 Ų70.40%034%0.343CS..Hα-helixtrans-61.1-44.5175.200000111.1I44 L47 Q48 D54 Q60 L61 M62I44-A58 HydrophobicContact CG2-CB 3.94Å; L47-A58 HydrophobicContact CB-CB 3.73Å; L47-A58 HydrophobicContact CD1-CB 4.28Å; L47-A58 VanDerWaalsContact CD1-O 3.25Å; L47-A58 WeakPolarHBondContact CD1-O 3.36Å; Q48-A58 HydrophobicContact CG-CB 3.94Å; D54-A58 WeakPolarHBondContact O-CB 3.38Å; D54-A58 PolarHBondContact O-N 2.67Å; A58-Q60 PolarHBondContact O-N 2.96Å; A58-L61 PolarHBondContact O-N 3.13Å; A58-M62 WeakPolarHBondContact O-CB 3.37Å; A58-M62 PolarHBondContact O-N 3.36Å
59T98.7Very high98.5Very high45 Ų4568 Ų6828%0.27634%0.34SS..Hα-helixtrans-61.2-44.8176.4-57.50000111.3V55 E56 R57 L61 M62 L63V55-T59 VanDerWaalsContact O-CB 3.28Å; V55-T59 WeakPolarHBondContact O-CB 3.48Å; V55-T59 PolarHBondContact O-N 3.13Å; V55-T59 PolarHBondContact O-OG1 3.14Å; E56-T59 PolarHBondContact O-N 3.26Å; R57-T59 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.3Å; T59-M62 HydrophobicContact CG2-CE 4.37Å; T59-M62 PolarHBondContact O-N 3.19Å; T59-L63 HydrophobicContact CG2-CD1 4.25Å; T59-L63 WeakPolarHBondContact O-CG 3.39Å; T59-L63 PolarHBondContact O-N 3.15Å
60Q98.6Very high98.5Very high115 Ų11568 Ų6854%0.53734%0.34SS..Hα-helixtrans-60.1-44.8177.7-172.4-173.520.600112.3E56 R57 A58 L63 A64E56-Q60 PolarHBondContact O-N 3.14Å; R57-Q60 PolarHBondContact O-N 3.39Å; A58-Q60 PolarHBondContact O-N 2.96Å; Q60-L63 PolarHBondContact O-N 2.82Å; Q60-A64 PolarHBondContact O-N 3.44Å
61L98.6Very high98.5Very high13 Ų1367.3 Ų67.37%0.06834%0.339CS..Hα-helixtrans-68.2-40.3178.3-80.6171.7000111.9L47 Y53 R57 A58 T59 L63 A64 V65 A71L47-L61 HydrophobicContact CD1-CB 3.78Å; L47-L61 HydrophobicContact CD2-CB 4.42Å; L47-L61 HydrophobicContact CD2-CD1 4.12Å; Y53-L61 HydrophobicContact CD2-CD1 3.68Å; Y53-L61 HydrophobicContact CE2-CD1 3.25Å; R57-L61 PolarHBondContact O-N 2.93Å; A58-L61 PolarHBondContact O-N 3.13Å; T59-L61 PolarHBondContact O-N 3.3Å; L61-L63 PolarHBondContact O-N 2.87Å; L61-A64 WeakPolarHBondContact O-CB 3.27Å; L61-A64 PolarHBondContact O-N 2.88Å; L61-A64 VanDerWaalsContact O-N 3.14Å; L61-V65 WeakPolarHBondContact O-CG2 3.47Å; L61-V65 PolarHBondContact O-N 2.86Å; L61-A71 HydrophobicContact CD2-CB 4.24Å
62M98.6Very high98.5Very high10 Ų1070.6 Ų70.65%0.04936%0.356CS..Hα-helixtrans-57.7-47.8174177.3-77.3-68.900111M40 V43 I44 L47 A58 T59 A64 V65 H66M40-M62 HydrophobicContact CB-CE 3.85Å; M40-M62 HydrophobicContact CB-CG 4.26Å; M40-M62 HydrophobicContact CB-SD 3.71Å; M40-M62 HydrophobicContact CE-SD 4.49Å; M40-M62 HydrophobicContact CG-CE 4.1Å; M40-M62 HydrophobicContact CG-SD 3.54Å; M40-M62 VanDerWaalsContact CG-SD 3.54Å; M40-M62 HydrophobicContact SD-CE 3.92Å; M40-M62 HydrophobicContact SD-SD 3.8Å; V43-M62 HydrophobicContact CB-CB 4.34Å; V43-M62 HydrophobicContact CB-CG 3.77Å; V43-M62 HydrophobicContact CG1-CB 3.84Å; V43-M62 HydrophobicContact CG1-CG 3.74Å; I44-M62 HydrophobicContact CD1-CE 4.05Å; I44-M62 HydrophobicContact CG1-CB 4.03Å; I44-M62 HydrophobicContact CG1-CE 4.47Å; I44-M62 HydrophobicContact CG1-CG 4.2Å; L47-M62 HydrophobicContact CD1-CB 4.39Å; A58-M62 WeakPolarHBondContact O-CB 3.37Å; A58-M62 PolarHBondContact O-N 3.36Å; T59-M62 HydrophobicContact CG2-CE 4.37Å; T59-M62 PolarHBondContact O-N 3.19Å; M62-A64 VanDerWaalsContact C-N 3.26Å; M62-A64 PolarHBondContact O-N 2.9Å; M62-V65 WeakPolarHBondContact O-CB 3.37Å; M62-V65 PolarHBondContact O-N 2.77Å; M62-V65 VanDerWaalsContact O-N 3.13Å; M62-H66 PolarHBondContact O-N 3.02Å
63L98.7Very high98.5Very high68 Ų6865.4 Ų65.436%0.35632%0.32SS..Hα-helixtrans-62.1-35.6176.4-67.5173000111.9T59 Q60 L61 H66 Y67T59-L63 HydrophobicContact CG2-CD1 4.25Å; T59-L63 WeakPolarHBondContact O-CG 3.39Å; T59-L63 PolarHBondContact O-N 3.15Å; Q60-L63 PolarHBondContact O-N 2.82Å; L61-L63 PolarHBondContact O-N 2.87Å; L63-H66 PolarHBondContact O-N 2.91Å; L63-Y67 HydrophobicContact CB-CD2 4.36Å; L63-Y67 HydrophobicContact CB-CE2 4.47Å; L63-Y67 HydrophobicContact CD2-CE2 4Å; L63-Y67 VanDerWaalsContact O-CD2 3.23Å; L63-Y67 WeakPolarHBondContact O-CD2 3.37Å; L63-Y67 PolarHBondContact O-N 2.62Å
64A98.7Very high98.5Very high21 Ų2163 Ų6317%0.17431%0.314CS..Hα-helixtrans-64.4-43.6173.900000111.8Q60 L61 M62 H66 Q68 A71Q60-A64 PolarHBondContact O-N 3.44Å; L61-A64 WeakPolarHBondContact O-CB 3.27Å; L61-A64 PolarHBondContact O-N 2.88Å; L61-A64 VanDerWaalsContact O-N 3.14Å; M62-A64 VanDerWaalsContact C-N 3.26Å; M62-A64 PolarHBondContact O-N 2.9Å; A64-H66 VanDerWaalsContact C-N 3.34Å; A64-H66 PolarHBondContact O-N 3.36Å; A64-Q68 WeakPolarHBondContact O-CA 3.11Å; A64-Q68 WeakPolarHBondContact O-CB 3.3Å; A64-Q68 WeakPolarHBondContact O-CG 3.32Å; A64-Q68 PolarHBondContact O-N 2.86Å; A64-A71 HydrophobicContact CB-CB 4.03Å
65V98.5Very high98.5Very high5 Ų562.1 Ų62.13%0.0331%0.312CS..Hα-helixtrans-56.2-51.8172.2177.20000109.7L32 N34 L61 M62 Y67 G69 A71L32-V65 HydrophobicContact CB-CG2 3.87Å; N34-V65 HydrophobicContact CB-CG1 3.87Å; N34-V65 WeakPolarHBondContact CB-O 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.47Å; L61-V65 PolarHBondContact O-N 2.86Å; M62-V65 WeakPolarHBondContact O-CB 3.37Å; M62-V65 PolarHBondContact O-N 2.77Å; M62-V65 VanDerWaalsContact O-N 3.13Å; V65-Y67 PolarHBondContact O-N 2.83Å; V65-G69 CarbonylContact O-C 3.48Å; V65-G69 VanDerWaalsContact O-CA 3.29Å; V65-G69 WeakPolarHBondContact O-CA 3.48Å; V65-G69 PolarHBondContact O-N 3.34Å; V65-A71 HydrophobicContact CG2-CB 3.5Å
66H98.3Very high98.5Very high75 Ų7561.1 Ų61.135%0.34730%0.302SS..Hα-helixtrans-58.7-50.6-176.1-177.764.6000113.3M62 L63 A64M62-H66 PolarHBondContact O-N 3.02Å; L63-H66 PolarHBondContact O-N 2.91Å; A64-H66 VanDerWaalsContact C-N 3.34Å; A64-H66 PolarHBondContact O-N 3.36Å
67Y98.5Very high98.4Very high177 Ų17757 Ų5769%0.69429%0.287SS*.Hα-helixtrans-87.5-23.8-174.3-67.2-62.3000114.3L63 V65L63-Y67 HydrophobicContact CB-CD2 4.36Å; L63-Y67 HydrophobicContact CB-CE2 4.47Å; L63-Y67 HydrophobicContact CD2-CE2 4Å; L63-Y67 VanDerWaalsContact O-CD2 3.23Å; L63-Y67 WeakPolarHBondContact O-CD2 3.37Å; L63-Y67 PolarHBondContact O-N 2.62Å; V65-Y67 PolarHBondContact O-N 2.83Å
68Q98.4Very high98.3Very high150 Ų15053.6 Ų53.670%0.70128%0.279SS*.Hα-helixtrans-106.2-5-176.5-50.51791.700113A64 K70A64-Q68 WeakPolarHBondContact O-CA 3.11Å; A64-Q68 WeakPolarHBondContact O-CB 3.3Å; A64-Q68 WeakPolarHBondContact O-CG 3.32Å; A64-Q68 PolarHBondContact O-N 2.86Å; Q68-K70 PolarHBondContact O-N 2.76Å
69G98.4Very high98.2Very high32 Ų3261 Ų6133%0.3331%0.313SS..SBendtrans81.4-17.3-17900000114.5N34 V65N34-G69 WeakPolarHBondContact CB-O 3.44Å; N34-G69 PolarHBondContact N-O 3.03Å; V65-G69 CarbonylContact O-C 3.48Å; V65-G69 VanDerWaalsContact O-CA 3.29Å; V65-G69 WeakPolarHBondContact O-CA 3.48Å; V65-G69 PolarHBondContact O-N 3.34Å
70K98.4Very high98.1Very high109 Ų10961.8 Ų61.847%0.47432%0.318SS..EExtended strand (participates in β ladder)trans-161.1158.117364177.8-176.7172.50111.9I31 L32 Q68 E104I31-K70 HydrophobicContact CG2-CB 3.89Å; I31-K70 HydrophobicContact CG2-CD 4.19Å; I31-K70 HydrophobicContact CG2-CG 4.46Å; L32-K70 CarbonylContact O-C 3.53Å; L32-K70 WeakPolarHBondContact O-CA 3.38Å; L32-K70 WeakPolarHBondContact O-CB 3.4Å; Q68-K70 PolarHBondContact O-N 2.76Å; K70-E104 IonicContact NZ-OE2 3.91Å
71A98.6Very high98.1Very high10 Ų1056.3 Ų56.38%0.08329%0.293CS..EExtended strand (participates in β ladder)trans-143.2147.5170.300000112.1I31 L32 L61 A64 V65I31-A71 WeakPolarHBondContact CA-O 3.4Å; L32-A71 PolarHBondContact N-O 2.83Å; L32-A71 PolarHBondContact O-N 2.98Å; L61-A71 HydrophobicContact CD2-CB 4.24Å; A64-A71 HydrophobicContact CB-CB 4.03Å; V65-A71 HydrophobicContact CG2-CB 3.5Å
72I98.6Very high98.1Very high86 Ų8661.3 Ų61.344%0.44132%0.316SS..EExtended strand (participates in β ladder)trans-80.8117.1172.4-59.1168.9000108.3K29 I31 V75K29-I72 HydrophobicContact CB-CG2 4.19Å; K29-I72 HydrophobicContact CD-CD1 3.92Å; K29-I72 HydrophobicContact CG-CD1 4.26Å; K29-I72 HydrophobicContact CG-CG2 4.33Å; I31-I72 HydrophobicContact CG1-CG1 4.2Å; I72-V75 HydrophobicContact CG2-CG2 4.37Å
73C98.3Very high98.1Very high1 Ų164.7 Ų64.71%0.00734%0.337CS..EExtended strand (participates in β ladder)trans-87.8-20.8179.5-54.20000112.5V30 L32 L47 F51 Y53V30-C73 PolarHBondContact O-N 3.49Å; L32-C73 WeakPolarHBondContact CG-SG 3.28Å; L47-C73 HydrophobicContact CD2-CB 4.08Å; F51-C73 HydrophobicContact CD1-CB 3.71Å; F51-C73 WeakPolarHBondContact CD1-O 3.28Å; F51-C73 HydrophobicContact CD2-CB 4.39Å; F51-C73 HydrophobicContact CE1-CB 3.39Å; F51-C73 HydrophobicContact CE2-CB 4.11Å; F51-C73 HydrophobicContact CG-CB 4.21Å; F51-C73 HydrophobicContact CZ-CB 3.6Å; Y53-C73 WeakPolarHBondContact CE2-O 3.32Å; Y53-C73 PolarHBondContact OH-O 3.3Å
74G98.2Very high98.1Very high12 Ų1263.5 Ų63.512%0.12433%0.329CS..EExtended strand (participates in β ladder)trans173.4168.1175.500000112.3K29 V30K29-G74 WeakPolarHBondContact CA-O 3.44Å; V30-G74 PolarHBondContact N-O 3.35Å
75V98.3Very high98.1Very high74 Ų7463.5 Ų63.545%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-122.4123.5176.3-177.70000108.3M27 Y28 K29 I72 A106M27-V75 HydrophobicContact CB-CG1 4Å; M27-V75 HydrophobicContact CE-CG1 4.12Å; Y28-V75 CarbonylContact O-C 3.58Å; Y28-V75 VanDerWaalsContact O-CA 3.31Å; Y28-V75 WeakPolarHBondContact O-CA 3.25Å; K29-V75 HydrophobicContact CG-CG2 4.02Å; I72-V75 HydrophobicContact CG2-CG2 4.37Å; V75-A106 HydrophobicContact CG1-CB 3.85Å
76F97.9Very high98.1Very high50 Ų5066.1 Ų66.122%0.21935%0.349CS..EExtended strand (participates in β ladder)trans-135.2169.1-172.9-52.8-83.2000110.9M27 Y28 V30 F51 V80 A81 K84M27-F76 CarbonylContact C-O 3.5Å; M27-F76 VanDerWaalsContact CA-O 3.29Å; M27-F76 WeakPolarHBondContact CA-O 3.44Å; Y28-F76 PolarHBondContact N-O 3.46Å; Y28-F76 PolarHBondContact O-N 2.94Å; V30-F76 HydrophobicContact CB-CD2 4.38Å; V30-F76 HydrophobicContact CB-CE2 4.29Å; V30-F76 HydrophobicContact CG2-CD2 3.62Å; V30-F76 HydrophobicContact CG2-CE2 3.95Å; F51-F76 HydrophobicContact CD1-CE2 4.15Å; F51-F76 HydrophobicContact CD1-CZ 4.06Å; F51-F76 HydrophobicContact CE1-CE2 4.01Å; F51-F76 HydrophobicContact CE1-CZ 4.36Å; F76-V80 HydrophobicContact CB-CB 3.92Å; F76-V80 HydrophobicContact CB-CG1 3.75Å; F76-V80 HydrophobicContact CD1-CG1 3.76Å; F76-V80 HydrophobicContact CG-CG1 3.88Å; F76-A81 HydrophobicContact CB-CB 4.14Å; F76-K84 HydrophobicContact CD2-CD 4.05Å; F76-K84 HydrophobicContact CE1-CD 4.14Å; F76-K84 VanDerWaalsContact CE1-CE 3.47Å; F76-K84 HydrophobicContact CE2-CD 3.63Å; F76-K84 HydrophobicContact CG-CD 4.47Å; F76-K84 HydrophobicContact CZ-CD 3.68Å; F76-K84 VanDerWaalsContact CZ-CE 3.43Å
77T97.4Very high98.1Very high47 Ų4766.9 Ų66.929%0.28835%0.354SS..EExtended strand (participates in β ladder)trans-62.6155.5165.5570000110P25 M27 E79 V80 A81P25-T77 HydrophobicContact CB-CG2 3.93Å; P25-T77 HydrophobicContact CG-CG2 3.84Å; M27-T77 HydrophobicContact SD-CG2 3.96Å; T77-E79 VanDerWaalsContact C-N 3.35Å; T77-E79 PolarHBondContact O-N 3.35Å; T77-V80 PolarHBondContact O-N 3.47Å; T77-V80 VanDerWaalsContact O-N 3.15Å; T77-V80 VanDerWaalsContact OG1-CG2 3.32Å; T77-V80 WeakPolarHBondContact OG1-CG2 3.49Å; T77-A81 WeakPolarHBondContact O-CB 3.48Å; T77-A81 PolarHBondContact O-N 3.18Å
78A95.8Very high98.1Very high26 Ų2658.5 Ų58.522%0.21532%0.321CS..Hα-helixtrans-45.6-54.5-178.600000113.3S26 Y28 V80 A81 E82S26-A78 PolarHBondContact O-N 3.34Å; S26-A78 VanDerWaalsContact O-N 3.08Å; Y28-A78 HydrophobicContact CD2-CB 3.74Å; Y28-A78 HydrophobicContact CE2-CB 3.61Å; A78-V80 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.08Å; A78-E82 WeakPolarHBondContact O-CG 3.49Å; A78-E82 PolarHBondContact O-N 3.08Å
79E96Very high98.1Very high154 Ų15452.9 Ų52.972%0.7230%0.296SS*.Hα-helixtrans-61.1-41.9-177.4-62.3177177.700112.9T77 T83T77-E79 VanDerWaalsContact C-N 3.35Å; T77-E79 PolarHBondContact O-N 3.35Å; E79-T83 WeakPolarHBondContact O-CB 3.44Å; E79-T83 PolarHBondContact O-N 3.26Å; E79-T83 PolarHBondContact O-OG1 3Å
80V97.6Very high98.1Very high62 Ų6257.5 Ų57.538%0.37631%0.307SS..Hα-helixtrans-69.3-40.1178.6174.90000110.4F76 T77 A78 T83 K84F76-V80 HydrophobicContact CB-CB 3.92Å; F76-V80 HydrophobicContact CB-CG1 3.75Å; F76-V80 HydrophobicContact CD1-CG1 3.76Å; F76-V80 HydrophobicContact CG-CG1 3.88Å; T77-V80 PolarHBondContact O-N 3.47Å; T77-V80 VanDerWaalsContact O-N 3.15Å; T77-V80 VanDerWaalsContact OG1-CG2 3.32Å; T77-V80 WeakPolarHBondContact OG1-CG2 3.49Å; A78-V80 PolarHBondContact O-N 3.38Å; V80-T83 PolarHBondContact O-N 3.23Å; V80-K84 WeakPolarHBondContact O-CG 3.31Å; V80-K84 PolarHBondContact O-N 2.97Å
81A98.3Very high98.1Very high0 Ų054.1 Ų54.10%029%0.291CS..Hα-helixtrans-64.3-47.7178.800000111.1V30 F76 T77 A78 T83 K84 V85 L103V30-A81 HydrophobicContact CG2-CB 3.82Å; F76-A81 HydrophobicContact CB-CB 4.14Å; T77-A81 WeakPolarHBondContact O-CB 3.48Å; T77-A81 PolarHBondContact O-N 3.18Å; A78-A81 PolarHBondContact O-N 3.08Å; A81-T83 VanDerWaalsContact C-N 3.33Å; A81-T83 PolarHBondContact O-N 3.45Å; A81-K84 PolarHBondContact O-N 3.29Å; A81-V85 WeakPolarHBondContact O-CG2 3.37Å; A81-V85 PolarHBondContact O-N 3.45Å; A81-L103 HydrophobicContact CB-CD1 4.27Å; A81-L103 HydrophobicContact CB-CD2 3.51Å
82E98.1Very high98.1Very high118 Ų11853.7 Ų53.755%0.55129%0.288SS*.Hα-helixtrans-57.8-45.4175.2-74.2176.2-17000111.7A78 K84 V85 A86 L103A78-E82 WeakPolarHBondContact O-CG 3.49Å; A78-E82 PolarHBondContact O-N 3.08Å; E82-K84 PolarHBondContact O-N 2.9Å; E82-V85 PolarHBondContact O-N 2.94Å; E82-A86 WeakPolarHBondContact O-CB 3.5Å; E82-A86 PolarHBondContact O-N 3.35Å; E82-L103 HydrophobicContact CB-CD1 4.38Å; E82-L103 HydrophobicContact CG-CD1 3.6Å
83T98.4Very high98.1Very high81 Ų8159.1 Ų59.150%0.49730%0.303SS..Hα-helixtrans-60.5-47.3177.4-58.80000111.2E79 V80 A81 V85 A86 M87E79-T83 WeakPolarHBondContact O-CB 3.44Å; E79-T83 PolarHBondContact O-N 3.26Å; E79-T83 PolarHBondContact O-OG1 3Å; V80-T83 PolarHBondContact O-N 3.23Å; A81-T83 VanDerWaalsContact C-N 3.33Å; A81-T83 PolarHBondContact O-N 3.45Å; T83-V85 PolarHBondContact O-N 3.41Å; T83-A86 PolarHBondContact O-N 3.15Å; T83-M87 HydrophobicContact CG2-CG 4.46Å; T83-M87 HydrophobicContact CG2-SD 3.93Å; T83-M87 VanDerWaalsContact O-CG 3.25Å; T83-M87 WeakPolarHBondContact O-CG 3.33Å; T83-M87 PolarHBondContact O-N 2.97Å
84K98.5Very high98.1Very high43 Ų4365 Ų6519%0.18733%0.33CS..Hα-helixtrans-61.3-45.4177.8-76.9-169.7-177.2-62.10112.1F50 F51 F76 V80 A81 E82 A86 M87 V88F50-K84 PolarHBondContact O-NZ 3.3Å; F51-K84 HydrophobicContact CD1-CD 4.31Å; F51-K84 HydrophobicContact CE1-CD 4.01Å; F76-K84 HydrophobicContact CD2-CD 4.05Å; F76-K84 HydrophobicContact CE1-CD 4.14Å; F76-K84 VanDerWaalsContact CE1-CE 3.47Å; F76-K84 HydrophobicContact CE2-CD 3.63Å; F76-K84 HydrophobicContact CG-CD 4.47Å; F76-K84 HydrophobicContact CZ-CD 3.68Å; F76-K84 VanDerWaalsContact CZ-CE 3.43Å; V80-K84 WeakPolarHBondContact O-CG 3.31Å; V80-K84 PolarHBondContact O-N 2.97Å; A81-K84 PolarHBondContact O-N 3.29Å; E82-K84 PolarHBondContact O-N 2.9Å; K84-A86 PolarHBondContact O-N 3.16Å; K84-M87 PolarHBondContact O-N 3.21Å; K84-V88 VanDerWaalsContact O-CG2 3.31Å; K84-V88 WeakPolarHBondContact O-CG2 3.38Å; K84-V88 PolarHBondContact O-N 2.93Å
85V98.6Very high98.2Very high21 Ų2167.5 Ų67.513%0.12734%0.341CS..Hα-helixtrans-60.2-45.3177.71660000111.5V30 A81 E82 T83 M87 V88 N89 C101 L103V30-V85 HydrophobicContact CG1-CG2 3.94Å; V30-V85 HydrophobicContact CG2-CG2 4.41Å; A81-V85 WeakPolarHBondContact O-CG2 3.37Å; A81-V85 PolarHBondContact O-N 3.45Å; E82-V85 PolarHBondContact O-N 2.94Å; T83-V85 PolarHBondContact O-N 3.41Å; V85-M87 PolarHBondContact O-N 3.06Å; V85-V88 PolarHBondContact O-N 3.36Å; V85-N89 WeakPolarHBondContact CG1-ND2 3.29Å; V85-N89 WeakPolarHBondContact O-CB 3.4Å; V85-N89 PolarHBondContact O-N 3Å; V85-N89 PolarHBondContact O-ND2 3.03Å; V85-C101 WeakPolarHBondContact CG1-O 3.17Å; V85-L103 HydrophobicContact CB-CD2 4.39Å; V85-L103 HydrophobicContact CB-CG 4.43Å; V85-L103 HydrophobicContact CG2-CD2 3.36Å; V85-L103 HydrophobicContact CG2-CG 3.71Å
86A98.7Very high98.2Very high60 Ų6072.6 Ų72.650%0.49636%0.36SS..Hα-helixtrans-61.3-43.8177.400000112E82 T83 K84 K90E82-A86 WeakPolarHBondContact O-CB 3.5Å; E82-A86 PolarHBondContact O-N 3.35Å; T83-A86 PolarHBondContact O-N 3.15Å; K84-A86 PolarHBondContact O-N 3.16Å; A86-K90 WeakPolarHBondContact O-CB 3.25Å; A86-K90 PolarHBondContact O-N 3.32Å
87M98.6Very high98.2Very high92 Ų9272.4 Ų72.445%0.45336%0.359SS..Hα-helixtrans-63.8-47178.2-70.317379.800112.3F50 T83 K84 V85 K90 Y91F50-M87 HydrophobicContact CD1-CB 4.12Å; F50-M87 HydrophobicContact CD1-CE 3.98Å; F50-M87 HydrophobicContact CE1-CB 3.94Å; F50-M87 HydrophobicContact CE1-CE 3.89Å; T83-M87 HydrophobicContact CG2-CG 4.46Å; T83-M87 HydrophobicContact CG2-SD 3.93Å; T83-M87 VanDerWaalsContact O-CG 3.25Å; T83-M87 WeakPolarHBondContact O-CG 3.33Å; T83-M87 PolarHBondContact O-N 2.97Å; K84-M87 PolarHBondContact O-N 3.21Å; V85-M87 PolarHBondContact O-N 3.06Å; M87-K90 PolarHBondContact O-N 3.47Å; M87-Y91 WeakPolarHBondContact O-CB 3.5Å; M87-Y91 PolarHBondContact O-N 3.45Å
88V98.8Very high98.2Very high0 Ų073.7 Ų73.70%037%0.368CS..Hα-helixtrans-64.9-48.2-179.4173.60000110.8L32 V46 F50 F51 K84 V85 K90 Y91 A92 L99 C101L32-V88 HydrophobicContact CD2-CG1 4.11Å; V46-V88 HydrophobicContact CG1-CG1 3.68Å; V46-V88 HydrophobicContact CG1-CG2 4.05Å; F50-V88 HydrophobicContact CB-CG2 4.01Å; F50-V88 HydrophobicContact CD2-CG2 3.75Å; F50-V88 HydrophobicContact CE2-CG2 4.38Å; F50-V88 HydrophobicContact CG-CG2 3.89Å; F51-V88 HydrophobicContact CE2-CG2 4.02Å; F51-V88 HydrophobicContact CZ-CG2 4.39Å; K84-V88 VanDerWaalsContact O-CG2 3.31Å; K84-V88 WeakPolarHBondContact O-CG2 3.38Å; K84-V88 PolarHBondContact O-N 2.93Å; V85-V88 PolarHBondContact O-N 3.36Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.7Å; V88-Y91 PolarHBondContact O-N 2.94Å; V88-A92 WeakPolarHBondContact O-CB 3.28Å; V88-A92 PolarHBondContact O-N 3.36Å; V88-L99 HydrophobicContact CG1-CD2 4.5Å; V88-C101 HydrophobicContact CB-CB 3.92Å; V88-C101 HydrophobicContact CG1-CB 3.62Å
89N98.7Very high98.4Very high33 Ų3372.8 Ų72.818%0.17636%0.36CS..Hα-helixtrans-64.1-37.5179.8-74.3-27.3000112.1V85 R93 C101V85-N89 WeakPolarHBondContact CG1-ND2 3.29Å; V85-N89 WeakPolarHBondContact O-CB 3.4Å; V85-N89 PolarHBondContact O-N 3Å; V85-N89 PolarHBondContact O-ND2 3.03Å; N89-R93 VanDerWaalsContact O-CG 3.28Å; N89-R93 WeakPolarHBondContact O-CG 3Å; N89-R93 PolarHBondContact O-N 2.75Å; N89-R93 VanDerWaalsContact O-N 3.14Å; N89-C101 PolarHBondContact ND2-O 2.88Å; N89-C101 VanDerWaalsContact OD1-CB 3.31Å; N89-C101 WeakPolarHBondContact OD1-CB 3.13Å; N89-C101 PolarHBondContact OD1-N 3.04Å; N89-C101 PolarHBondContact OD1-O 3.44Å
90K98.7Very high98.5Very high129 Ų12969.8 Ų69.856%0.56135%0.348SS*.Hα-helixtrans-62.6-48.6173.5178.6175.7171.9178.80110.8A86 M87 V88 A92 R93 E94A86-K90 WeakPolarHBondContact O-CB 3.25Å; A86-K90 PolarHBondContact O-N 3.32Å; M87-K90 PolarHBondContact O-N 3.47Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.7Å; K90-A92 PolarHBondContact O-N 2.89Å; K90-R93 PolarHBondContact O-N 3.47Å; K90-E94 WeakPolarHBondContact CE-OE1 3.36Å; K90-E94 HydrophobicContact CG-CG 4.45Å; K90-E94 IonicContact NZ-OE1 2.89Å; K90-E94 WeakPolarHBondContact O-CG 3.47Å; K90-E94 PolarHBondContact O-N 3.09Å
91Y98.8Very high98.5Very high38 Ų3867 Ų6715%0.14933%0.331CS..Hα-helixtrans-62.9-40.2179.9-173.9-115.6000112.8F42 D45 V46 K49 F50 M87 V88 E94 N95F42-Y91 HydrophobicContact CD2-CE1 4.44Å; F42-Y91 AromaticContact CE2-CD1 3.8Å; F42-Y91 HydrophobicContact CE2-CD1 3.8Å; F42-Y91 AromaticContact CE2-CE1 3.46Å; F42-Y91 HydrophobicContact CE2-CE1 3.46Å; F42-Y91 VanDerWaalsContact CE2-CE1 3.46Å; F42-Y91 AromaticContact CZ-CD1 3.54Å; F42-Y91 HydrophobicContact CZ-CD1 3.54Å; F42-Y91 AromaticContact CZ-CE1 3.71Å; F42-Y91 HydrophobicContact CZ-CE1 3.71Å; F42-Y91 HydrophobicContact CZ-CG 4.45Å; D45-Y91 VanDerWaalsContact OD2-CE1 3.27Å; D45-Y91 WeakPolarHBondContact OD2-CE1 3.2Å; D45-Y91 PolarHBondContact OD2-OH 3.5Å; V46-Y91 HydrophobicContact CG2-CD1 4.01Å; V46-Y91 HydrophobicContact CG2-CE1 4.28Å; K49-Y91 HydrophobicContact CD-CE1 4.27Å; K49-Y91 VanDerWaalsContact NZ-CZ 3.25Å; K49-Y91 PolarHBondContact NZ-OH 2.95Å; K49-Y91 VanDerWaalsContact NZ-OH 3.16Å; F50-Y91 AromaticContact CE2-CD1 3.58Å; F50-Y91 HydrophobicContact CE2-CD1 3.58Å; F50-Y91 HydrophobicContact CE2-CE1 4.22Å; F50-Y91 AromaticContact CE2-CG 3.87Å; F50-Y91 HydrophobicContact CE2-CG 3.87Å; F50-Y91 HydrophobicContact CZ-CD1 4.01Å; F50-Y91 HydrophobicContact CZ-CD2 4.42Å; F50-Y91 AromaticContact CZ-CG 3.81Å; F50-Y91 HydrophobicContact CZ-CG 3.81Å; M87-Y91 WeakPolarHBondContact O-CB 3.5Å; M87-Y91 PolarHBondContact O-N 3.45Å; V88-Y91 PolarHBondContact O-N 2.94Å; Y91-E94 PolarHBondContact O-N 2.85Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.4Å; Y91-N95 VanDerWaalsContact CE2-ND2 3.32Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.37Å; Y91-N95 PolarHBondContact O-N 3.24Å; Y91-N95 VanDerWaalsContact O-N 3.15Å; Y91-N95 PolarHBondContact O-ND2 3.34Å
92A98.7Very high98.5Very high1 Ų169.7 Ų69.71%0.00835%0.348CS..Hα-helixtrans-59.3-47.7173.900000111.9F42 V88 K90 E94 N95 E96 H97 L99F42-A92 HydrophobicContact CE1-CB 4.11Å; F42-A92 HydrophobicContact CZ-CB 4.36Å; V88-A92 WeakPolarHBondContact O-CB 3.28Å; V88-A92 PolarHBondContact O-N 3.36Å; K90-A92 PolarHBondContact O-N 2.89Å; A92-E94 PolarHBondContact O-N 2.84Å; A92-N95 CarbonylContact O-C 3.49Å; A92-N95 PolarHBondContact O-N 3.28Å; A92-E96 PolarHBondContact O-N 3.14Å; A92-H97 CarbonylContact C-O 3.58Å; A92-H97 PolarHBondContact O-N 3.04Å; A92-L99 HydrophobicContact CB-CB 3.93Å
93R98.3Very high98.5Very high200 Ų20066.4 Ų66.476%0.75533%0.334SS*.Hα-helixtrans-63.2-40.7177.6-70.4173.3-175-167.51.7112.8N89 K90 N95 E96N89-R93 VanDerWaalsContact O-CG 3.28Å; N89-R93 WeakPolarHBondContact O-CG 3Å; N89-R93 PolarHBondContact O-N 2.75Å; N89-R93 VanDerWaalsContact O-N 3.14Å; K90-R93 PolarHBondContact O-N 3.47Å; R93-N95 PolarHBondContact O-N 2.75Å; R93-E96 PolarHBondContact O-N 2.72Å; R93-E96 VanDerWaalsContact O-N 3.13Å
94E98.5Very high98.5Very high125 Ų12566.6 Ų66.658%0.58433%0.329SS*.Hα-helixtrans-64.8-25.3177.3-73.8173.317000112.9K90 Y91 A92K90-E94 WeakPolarHBondContact CE-OE1 3.36Å; K90-E94 HydrophobicContact CG-CG 4.45Å; K90-E94 IonicContact NZ-OE1 2.89Å; K90-E94 WeakPolarHBondContact O-CG 3.47Å; K90-E94 PolarHBondContact O-N 3.09Å; Y91-E94 PolarHBondContact O-N 2.85Å; A92-E94 PolarHBondContact O-N 2.84Å
95N98.5Very high98.4Very high64 Ų6471 Ų7134%0.34235%0.348SS..THydrogen-bonded Turntrans-100.815.6174.9-68.8-89000112.8F42 Y91 A92 R93 H97F42-N95 HydrophobicContact CD2-CB 4.39Å; F42-N95 HydrophobicContact CE2-CB 3.65Å; F42-N95 HydrophobicContact CZ-CB 4.08Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.4Å; Y91-N95 VanDerWaalsContact CE2-ND2 3.32Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.37Å; Y91-N95 PolarHBondContact O-N 3.24Å; Y91-N95 VanDerWaalsContact O-N 3.15Å; Y91-N95 PolarHBondContact O-ND2 3.34Å; A92-N95 CarbonylContact O-C 3.49Å; A92-N95 PolarHBondContact O-N 3.28Å; R93-N95 PolarHBondContact O-N 2.75Å; N95-H97 VanDerWaalsContact C-N 3.26Å; N95-H97 PolarHBondContact O-CD2 3.13Å; N95-H97 PolarHBondContact O-N 3.49Å; N95-H97 PolarHBondContact O-NE2 2.91Å
96E98.4Very high98.1Very high181 Ų18173.8 Ų73.885%0.84637%0.373SS*.THydrogen-bonded Turntrans59.231.9177.1-53.5-176.4166.600114.4A92 R93A92-E96 PolarHBondContact O-N 3.14Å; R93-E96 PolarHBondContact O-N 2.72Å; R93-E96 VanDerWaalsContact O-N 3.13Å
97H98.4Very high98.1Very high46 Ų4674.5 Ų74.521%0.21337%0.367CS..  trans-108.7137.4177-63.5-39.5000112T38 P39 F42 A92 N95 L99T38-H97 HydrophobicContact CG2-CB 4.15Å; P39-H97 WeakPolarHBondContact CD-CE1 3.43Å; P39-H97 WeakPolarHBondContact CD-ND1 3.45Å; F42-H97 HydrophobicContact CD1-CB 4.3Å; F42-H97 AromaticContact CD1-CD2 3.48Å; F42-H97 VanDerWaalsContact CD1-CD2 3.48Å; F42-H97 WeakPolarHBondContact CD1-CD2 3.39Å; F42-H97 AromaticContact CD2-CD2 3.44Å; F42-H97 VanDerWaalsContact CD2-CD2 3.44Å; F42-H97 WeakPolarHBondContact CD2-CD2 3.37Å; F42-H97 AromaticContact CD2-NE2 3.82Å; F42-H97 HydrophobicContact CE1-CB 4.18Å; F42-H97 AromaticContact CE1-CD2 3.75Å; F42-H97 AromaticContact CE2-CD2 3.72Å; F42-H97 AromaticContact CG-CD2 3.31Å; F42-H97 WeakPolarHBondContact CG-CD2 3.45Å; F42-H97 AromaticContact CG-NE2 3.8Å; F42-H97 AromaticContact CZ-CD2 3.87Å; A92-H97 CarbonylContact C-O 3.58Å; A92-H97 PolarHBondContact O-N 3.04Å; N95-H97 VanDerWaalsContact C-N 3.26Å; N95-H97 PolarHBondContact O-CD2 3.13Å; N95-H97 PolarHBondContact O-N 3.49Å; N95-H97 PolarHBondContact O-NE2 2.91Å; H97-L99 PolarHBondContact O-N 3.48Å
98P98.4Very high98Very high73 Ų7373.6 Ų73.647%0.47436%0.363SS..  trans-80.77.1179.333.2-34.1000114.1Y37 L100Y37-P98 HydrophobicContact CD2-CG 4.17Å; Y37-P98 HydrophobicContact CG-CG 4.31Å; P98-L100 PolarHBondContact O-N 2.95Å
99L98.7Very high98Very high7 Ų777.7 Ų77.74%0.03738%0.383CS..  trans-44.4123.2-180-175.464.1000112.3L32 D35 T38 F42 V43 V46 V88 A92 H97L32-L99 HydrophobicContact CD2-CD1 4.09Å; L32-L99 HydrophobicContact CD2-CD2 4Å; L32-L99 HydrophobicContact CD2-CG 4.02Å; D35-L99 WeakPolarHBondContact OD2-CA 3.49Å; T38-L99 HydrophobicContact CG2-CB 3.9Å; T38-L99 HydrophobicContact CG2-CD1 4.24Å; T38-L99 HydrophobicContact CG2-CD2 4.38Å; T38-L99 HydrophobicContact CG2-CG 4.39Å; T38-L99 WeakPolarHBondContact OG1-CA 3.39Å; T38-L99 WeakPolarHBondContact OG1-CB 3.29Å; T38-L99 PolarHBondContact OG1-N 3.34Å; T38-L99 VanDerWaalsContact OG1-N 3.15Å; F42-L99 HydrophobicContact CD1-CD2 4.16Å; F42-L99 HydrophobicContact CE1-CD2 3.93Å; V43-L99 HydrophobicContact CG2-CD1 4.23Å; V46-L99 HydrophobicContact CG1-CD2 4.47Å; V46-L99 HydrophobicContact CG2-CD2 4.09Å; V88-L99 HydrophobicContact CG1-CD2 4.5Å; A92-L99 HydrophobicContact CB-CB 3.93Å; H97-L99 PolarHBondContact O-N 3.48Å
100L98.5Very high97.9Very high92 Ų9280.3 Ų80.348%0.48240%0.395SS..EExtended strand (participates in β ladder)trans-101.5119.2179.4177.964.2000111.2V33 P98V33-L100 HydrophobicContact CB-CB 4.25Å; V33-L100 HydrophobicContact CB-CD2 4.27Å; V33-L100 HydrophobicContact CB-CG 4.45Å; V33-L100 HydrophobicContact CG2-CD2 4.18Å; V33-L100 HydrophobicContact CG2-CG 4.39Å; V33-L100 PolarHBondContact N-O 3.44Å; P98-L100 PolarHBondContact O-N 2.95Å
101C98.8Very high97.9Very high2 Ų277.3 Ų77.31%0.01439%0.385CS..EExtended strand (participates in β ladder)trans-104.3131.6166.3-161.90000109.9V30 I31 L32 V85 V88 N89V30-C101 VanDerWaalsContact CG1-SG 3.53Å; I31-C101 CarbonylContact O-C 3.56Å; I31-C101 WeakPolarHBondContact O-CA 3.37Å; L32-C101 HydrophobicContact CD2-CB 3.85Å; V85-C101 WeakPolarHBondContact CG1-O 3.17Å; V88-C101 HydrophobicContact CB-CB 3.92Å; V88-C101 HydrophobicContact CG1-CB 3.62Å; N89-C101 PolarHBondContact ND2-O 2.88Å; N89-C101 VanDerWaalsContact OD1-CB 3.31Å; N89-C101 WeakPolarHBondContact OD1-CB 3.13Å; N89-C101 PolarHBondContact OD1-N 3.04Å; N89-C101 PolarHBondContact OD1-O 3.44Å
102T98.5Very high97.8Very high57 Ų5779.9 Ų79.935%0.3540%0.4SS..EExtended strand (participates in β ladder)trans-137.9170.9-176.4-1670000112.8I31 V33I31-T102 HydrophobicContact CB-CG2 3.94Å; I31-T102 HydrophobicContact CG2-CG2 4.32Å; I31-T102 PolarHBondContact N-O 3.47Å; I31-T102 PolarHBondContact O-N 3.02Å; V33-T102 HydrophobicContact CG2-CG2 4.09Å
103L97.9Very high97.8Very high50 Ų5085.5 Ų85.526%0.26243%0.428SS..EExtended strand (participates in β ladder)trans-113.7145176.4-63.3-175.5000111.9Y28 K29 V30 A81 E82 V85Y28-L103 HydrophobicContact CD1-CB 4.34Å; K29-L103 WeakPolarHBondContact O-CA 3.44Å; V30-L103 HydrophobicContact CB-CD2 4.49Å; V30-L103 HydrophobicContact CG2-CD2 3.72Å; A81-L103 HydrophobicContact CB-CD1 4.27Å; A81-L103 HydrophobicContact CB-CD2 3.51Å; E82-L103 HydrophobicContact CB-CD1 4.38Å; E82-L103 HydrophobicContact CG-CD1 3.6Å; V85-L103 HydrophobicContact CB-CD2 4.39Å; V85-L103 HydrophobicContact CB-CG 4.43Å; V85-L103 HydrophobicContact CG2-CD2 3.36Å; V85-L103 HydrophobicContact CG2-CG 3.71Å
104E97.8Very high97.7Very high85 Ų8576.7 Ų76.740%0.39740%0.403SS..EExtended strand (participates in β ladder)trans-135.9140166.9-167.8-175.4132.100108.6Y28 K29 I31 K70 A106Y28-E104 CarbonylContact C-O 3.45Å; Y28-E104 WeakPolarHBondContact CA-O 3.23Å; K29-E104 HydrophobicContact CB-CB 4.4Å; K29-E104 PolarHBondContact N-O 3.37Å; K29-E104 IonicContact NZ-OE1 3.95Å; K29-E104 PolarHBondContact O-N 2.95Å; I31-E104 HydrophobicContact CD1-CB 3.71Å; K70-E104 IonicContact NZ-OE2 3.91Å; E104-A106 PolarHBondContact O-N 2.93Å
105K96.1Very high97.7Very high136 Ų13672.7 Ų72.759%0.59139%0.388SS*.EExtended strand (participates in β ladder)trans-59.6133175.6-168.3172.7-178.41770109.3Y28 K29Y28-K105 HydrophobicContact CD1-CB 4.41Å; Y28-K105 HydrophobicContact CE1-CB 4.1Å; Y28-K105 HydrophobicContact CE1-CG 4.45Å; K29-K105 PolarHBondContact NZ-O 3.48Å
106A92.2Very high97.6Very high79 Ų7973.5 Ų73.565%0.65339%0.392SS*.  trans-67.90-17600000111.7M27 K29 V75 E104M27-A106 VanDerWaalsContact C-CB 3.48Å; M27-A106 HydrophobicContact CB-CB 3.71Å; M27-A106 VanDerWaalsContact O-CB 3.23Å; M27-A106 WeakPolarHBondContact O-CB 2.81Å; M27-A106 PolarHBondContact O-N 2.9Å; K29-A106 WeakPolarHBondContact CE-OXT 3.33Å; K29-A106 HydrophobicContact CG-CB 4.36Å; K29-A106 PolarHBondContact NZ-OXT 2.9Å; V75-A106 HydrophobicContact CG1-CB 3.85Å; E104-A106 PolarHBondContact O-N 2.93Å

Retrieved 106 of 106 residues in 331.4 ms (Link to these results)

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