A0A0U5KKP6_SCHMA Loading...

MEG-28 protein

AlphaFold DB , UniProt , Accession A0A0U5KKP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MEG-28, Length 66 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
1M67.5Low83.5Confident91 Ų9196.5 Ų96.545%0.44847%0.467SS..  01470-81.9173.997.100109.5T3 V5 L9 L65M1-T3 PolarHBondContact O-N 2.98Å; M1-V5 HydrophobicContact CE-CB 3.78Å; M1-V5 HydrophobicContact CE-CG1 3.2Å; M1-L9 HydrophobicContact CE-CD1 3.57Å; M1-L9 HydrophobicContact CE-CG 4.43Å; M1-L9 HydrophobicContact SD-CD1 4.24Å; M1-L65 HydrophobicContact CG-CB 3.88Å; M1-L65 HydrophobicContact CG-CD1 4.44Å; M1-L65 HydrophobicContact CG-CD2 4.44Å; M1-L65 HydrophobicContact CG-CG 4.48Å; M1-L65 PolarHBondContact N-O 3.02Å; M1-L65 HydrophobicContact SD-CB 3.53Å; M1-L65 VanDerWaalsContact SD-CB 3.53Å; M1-L65 HydrophobicContact SD-CD1 3.41Å; M1-L65 WeakPolarHBondContact SD-CD1 3.5Å; M1-L65 HydrophobicContact SD-CD2 4.41Å; M1-L65 HydrophobicContact SD-CG 3.96Å
2N80.8Confident83.8Confident126 Ų12697.2 Ų97.267%0.67447%0.473SS*.  trans-52.8135.4169.5-70.8-39.7000110.1I4 V5 R6N2-I4 PolarHBondContact O-N 3.37Å; N2-V5 HydrophobicContact CB-CG2 4.09Å; N2-V5 PolarHBondContact O-N 3.01Å; N2-R6 PolarHBondContact O-N 3.42Å
3T82.3Confident84Confident82 Ų8292.9 Ų92.950%0.50345%0.451SS..Hα-helixtrans-50.1-35.7179.3-46.70000111.9M1 R6 Y7M1-T3 PolarHBondContact O-N 2.98Å; T3-R6 WeakPolarHBondContact O-CB 3.37Å; T3-R6 PolarHBondContact O-N 2.91Å; T3-Y7 HydrophobicContact CG2-CD2 4.08Å; T3-Y7 HydrophobicContact CG2-CE2 3.5Å; T3-Y7 WeakPolarHBondContact O-CD2 3.36Å; T3-Y7 PolarHBondContact O-N 3.26Å; T3-Y7 VanDerWaalsContact O-N 3.15Å
4I88Confident84.4Confident113 Ų11392.7 Ų92.758%0.57945%0.452SS*.Hα-helixtrans-60.3-47.2176.2-64.6172.4000112.2N2 R6 Y7 Y8N2-I4 PolarHBondContact O-N 3.37Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.35Å; I4-Y7 PolarHBondContact O-N 2.86Å; I4-Y8 HydrophobicContact CG2-CD2 3.69Å; I4-Y8 HydrophobicContact CG2-CE2 3.3Å; I4-Y8 WeakPolarHBondContact O-CD2 3.49Å; I4-Y8 PolarHBondContact O-N 3.42Å
5V84Confident84.8Confident60 Ų6091.9 Ų91.936%0.36445%0.449SS..Hα-helixtrans-68-34.6-178.5-168.80000110.7M1 N2 Y7 Y8 L9M1-V5 HydrophobicContact CE-CB 3.78Å; M1-V5 HydrophobicContact CE-CG1 3.2Å; N2-V5 HydrophobicContact CB-CG2 4.09Å; N2-V5 PolarHBondContact O-N 3.01Å; V5-Y7 PolarHBondContact O-N 3.25Å; V5-Y8 PolarHBondContact O-N 3.14Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.73Å
6R81.9Confident84.9Confident73 Ų7389.6 Ų89.628%0.27544%0.442SS..Hα-helixtrans-58-47.3171.4155.3177.7-50.7147.4-0.3111.4N2 T3 I4 Y8 L9 I10 M62N2-R6 PolarHBondContact O-N 3.42Å; T3-R6 WeakPolarHBondContact O-CB 3.37Å; T3-R6 PolarHBondContact O-N 2.91Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.35Å; R6-Y8 PolarHBondContact O-N 3.12Å; R6-L9 PolarHBondContact O-N 3.06Å; R6-I10 HydrophobicContact CG-CD1 4Å; R6-I10 WeakPolarHBondContact O-CG1 3.5Å; R6-I10 PolarHBondContact O-N 2.88Å; R6-I10 VanDerWaalsContact O-N 3.14Å; R6-M62 HydrophobicContact CB-CE 3.61Å; R6-M62 HydrophobicContact CG-CE 3.35Å; R6-M62 VanDerWaalsContact O-CE 3.3Å; R6-M62 WeakPolarHBondContact O-CE 3.28Å
7Y84Confident85Confident146 Ų14686.1 Ų86.157%0.57343%0.427SS*.Hα-helixtrans-63.7-40178.1-71.8-56.6000112.6T3 I4 V5 L9 I10 I11T3-Y7 HydrophobicContact CG2-CD2 4.08Å; T3-Y7 HydrophobicContact CG2-CE2 3.5Å; T3-Y7 WeakPolarHBondContact O-CD2 3.36Å; T3-Y7 PolarHBondContact O-N 3.26Å; T3-Y7 VanDerWaalsContact O-N 3.15Å; I4-Y7 PolarHBondContact O-N 2.86Å; V5-Y7 PolarHBondContact O-N 3.25Å; Y7-L9 VanDerWaalsContact C-N 3.35Å; Y7-L9 PolarHBondContact O-N 2.75Å; Y7-I10 PolarHBondContact O-N 3.26Å; Y7-I11 WeakPolarHBondContact O-CG1 3.49Å; Y7-I11 PolarHBondContact O-N 3Å
8Y88.4Confident85.1Confident160 Ų16086.7 Ų86.763%0.62743%0.431SS*.Hα-helixtrans-59.8-42.9175.4-78.5-62.1000112.8I4 V5 R6 I10 I11 L12I4-Y8 HydrophobicContact CG2-CD2 3.69Å; I4-Y8 HydrophobicContact CG2-CE2 3.3Å; I4-Y8 WeakPolarHBondContact O-CD2 3.49Å; I4-Y8 PolarHBondContact O-N 3.42Å; V5-Y8 PolarHBondContact O-N 3.14Å; R6-Y8 PolarHBondContact O-N 3.12Å; Y8-I10 PolarHBondContact O-N 2.92Å; Y8-I11 PolarHBondContact O-N 3.48Å; Y8-L12 WeakPolarHBondContact O-CB 3.41Å; Y8-L12 PolarHBondContact O-N 2.91Å
9L84.7Confident85.1Confident54 Ų5487.9 Ų87.928%0.28344%0.435SS..Hα-helixtrans-63.8-40.3177.2-70.8-177000112.2M1 V5 R6 Y7 L12 F13 F58 M62M1-L9 HydrophobicContact CE-CD1 3.57Å; M1-L9 HydrophobicContact CE-CG 4.43Å; M1-L9 HydrophobicContact SD-CD1 4.24Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.73Å; R6-L9 PolarHBondContact O-N 3.06Å; Y7-L9 VanDerWaalsContact C-N 3.35Å; Y7-L9 PolarHBondContact O-N 2.75Å; L9-L12 PolarHBondContact O-N 2.92Å; L9-F13 WeakPolarHBondContact O-CB 3.2Å; L9-F13 PolarHBondContact O-N 3.49Å; L9-F58 HydrophobicContact CB-CE2 3.95Å; L9-F58 HydrophobicContact CB-CZ 3.84Å; L9-F58 WeakPolarHBondContact O-CZ 3.48Å; L9-M62 HydrophobicContact CB-CE 4.14Å; L9-M62 HydrophobicContact CB-SD 3.92Å; L9-M62 HydrophobicContact CD1-CE 4.41Å; L9-M62 HydrophobicContact CD1-SD 3.65Å; L9-M62 HydrophobicContact CG-SD 4.46Å
10I87.1Confident85.1Confident63 Ų6387.3 Ų87.332%0.32343%0.432SS..Hα-helixtrans-64.8-45.3178-67166.2000110.6R6 Y7 Y8 L12 F13 I14 F58 M62R6-I10 HydrophobicContact CG-CD1 4Å; R6-I10 WeakPolarHBondContact O-CG1 3.5Å; R6-I10 PolarHBondContact O-N 2.88Å; R6-I10 VanDerWaalsContact O-N 3.14Å; Y7-I10 PolarHBondContact O-N 3.26Å; Y8-I10 PolarHBondContact O-N 2.92Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.36Å; I10-F13 PolarHBondContact O-N 2.89Å; I10-I14 HydrophobicContact CG2-CD1 4.03Å; I10-I14 WeakPolarHBondContact O-CG1 3.24Å; I10-I14 PolarHBondContact O-N 3.16Å; I10-F58 HydrophobicContact CG1-CE1 4.09Å; I10-F58 HydrophobicContact CG1-CZ 4.24Å; I10-M62 HydrophobicContact CD1-CE 4.23Å; I10-M62 HydrophobicContact CG1-CE 3.99Å
11I89.5Confident84.8Confident94 Ų9488 Ų8848%0.48244%0.435SS..Hα-helixtrans-61-45.2177.3-67.3166.7000110.4Y7 Y8 F13 I14 I15Y7-I11 WeakPolarHBondContact O-CG1 3.49Å; Y7-I11 PolarHBondContact O-N 3Å; Y8-I11 PolarHBondContact O-N 3.48Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.38Å; I11-I14 PolarHBondContact O-N 2.86Å; I11-I15 HydrophobicContact CG2-CD1 3.86Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 3.43Å
12L88Confident85.4Confident104 Ų10488.9 Ų88.955%0.54544%0.441SS..Hα-helixtrans-60.4-40.9176.9-175.565.9000112Y8 L9 I10 I15 T16Y8-L12 WeakPolarHBondContact O-CB 3.41Å; Y8-L12 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 2.92Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.36Å; L12-I15 PolarHBondContact O-N 3.03Å; L12-T16 WeakPolarHBondContact O-CG2 3.2Å; L12-T16 PolarHBondContact O-N 3.27Å; L12-T16 PolarHBondContact O-OG1 3.23Å
13F86.2Confident85.3Confident42 Ų4287 Ų8718%0.18443%0.43CS..Hα-helixtrans-63.6-41.1176.4180-90.6000112.5L9 I10 I11 T16 T17 F55 F58L9-F13 WeakPolarHBondContact O-CB 3.2Å; L9-F13 PolarHBondContact O-N 3.49Å; I10-F13 PolarHBondContact O-N 2.89Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.38Å; F13-T16 WeakPolarHBondContact CA-OG1 3.23Å; F13-T16 PolarHBondContact O-OG1 3.39Å; F13-T17 WeakPolarHBondContact O-CB 3.36Å; F13-T17 PolarHBondContact O-N 2.86Å; F13-T17 PolarHBondContact O-OG1 3.15Å; F13-F55 AromaticContact CE1-CD2 3.57Å; F13-F55 HydrophobicContact CE1-CD2 3.57Å; F13-F55 HydrophobicContact CE1-CE2 4.19Å; F13-F55 HydrophobicContact CZ-CB 4.07Å; F13-F55 AromaticContact CZ-CD2 3.73Å; F13-F55 HydrophobicContact CZ-CD2 3.73Å; F13-F55 HydrophobicContact CZ-CG 4.41Å; F13-F58 HydrophobicContact CB-CD1 4.28Å; F13-F58 HydrophobicContact CB-CD2 4.5Å; F13-F58 HydrophobicContact CB-CE1 3.94Å; F13-F58 HydrophobicContact CB-CE2 4.18Å; F13-F58 HydrophobicContact CB-CZ 3.9Å; F13-F58 HydrophobicContact CD1-CD1 4.41Å; F13-F58 HydrophobicContact CD2-CB 4.11Å; F13-F58 HydrophobicContact CD2-CD1 4.01Å; F13-F58 HydrophobicContact CD2-CD2 4.11Å; F13-F58 AromaticContact CD2-CG 3.79Å; F13-F58 HydrophobicContact CD2-CG 3.79Å; F13-F58 HydrophobicContact CE2-CB 4.11Å; F13-F58 HydrophobicContact CE2-CG 4.28Å; F13-F58 AromaticContact CG-CD1 3.94Å; F13-F58 HydrophobicContact CG-CD1 3.94Å; F13-F58 HydrophobicContact CG-CE1 4.08Å; F13-F58 HydrophobicContact CG-CG 4.18Å; F13-F58 HydrophobicContact CG-CZ 4.44Å
14I88.7Confident84.7Confident90 Ų9085.9 Ų85.946%0.46242%0.417SS..Hα-helixtrans-64.9-46.3177.1-67.3167.2000110.6I10 I11 T17 I18I10-I14 HydrophobicContact CG2-CD1 4.03Å; I10-I14 WeakPolarHBondContact O-CG1 3.24Å; I10-I14 PolarHBondContact O-N 3.16Å; I11-I14 PolarHBondContact O-N 2.86Å; I14-T17 PolarHBondContact O-N 2.79Å; I14-I18 HydrophobicContact CG2-CD1 3.87Å; I14-I18 WeakPolarHBondContact O-CG1 3.3Å; I14-I18 PolarHBondContact O-N 3.38Å
15I90.5Very high84Confident81 Ų8183.2 Ų83.242%0.41541%0.408SS..Hα-helixtrans-59.7-50.8179.5-67.9168.5000110.6I11 L12 T17 I18 E19I11-I15 HydrophobicContact CG2-CD1 3.86Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 3.43Å; L12-I15 PolarHBondContact O-N 3.03Å; I15-T17 VanDerWaalsContact C-N 3.29Å; I15-T17 PolarHBondContact O-N 2.89Å; I15-I18 PolarHBondContact O-N 3.26Å; I15-I18 VanDerWaalsContact O-N 3.13Å; I15-E19 HydrophobicContact CG2-CG 4.46Å; I15-E19 PolarHBondContact O-N 2.86Å
16T87.5Confident83.4Confident54 Ų5483 Ų8333%0.33141%0.413SS..Hα-helixtrans-61.5-37.4179.650.60000112.2L12 F13 E19 I20L12-T16 WeakPolarHBondContact O-CG2 3.2Å; L12-T16 PolarHBondContact O-N 3.27Å; L12-T16 PolarHBondContact O-OG1 3.23Å; F13-T16 WeakPolarHBondContact CA-OG1 3.23Å; F13-T16 PolarHBondContact O-OG1 3.39Å; T16-E19 PolarHBondContact O-N 3.21Å; T16-I20 WeakPolarHBondContact O-CB 3.4Å; T16-I20 WeakPolarHBondContact O-CD1 3.15Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å; T16-I20 PolarHBondContact O-N 2.86Å
17T85.5Confident82.5Confident30 Ų3082.4 Ų82.418%0.18441%0.412CS..Hα-helixtrans-64-42.3175-59.30000111.9F13 I14 I15 Q21F13-T17 WeakPolarHBondContact O-CB 3.36Å; F13-T17 PolarHBondContact O-N 2.86Å; F13-T17 PolarHBondContact O-OG1 3.15Å; I14-T17 PolarHBondContact O-N 2.79Å; I15-T17 VanDerWaalsContact C-N 3.29Å; I15-T17 PolarHBondContact O-N 2.89Å; T17-Q21 VanDerWaalsContact O-CG 3.28Å; T17-Q21 WeakPolarHBondContact O-CG 3.46Å; T17-Q21 PolarHBondContact O-N 2.87Å
18I87Confident81.5Confident98 Ų9881.7 Ų81.750%0.50341%0.412SS..Hα-helixtrans-65.2-44.6177.1-68.1167.8000110.8I14 I15 Q21 N22I14-I18 HydrophobicContact CG2-CD1 3.87Å; I14-I18 WeakPolarHBondContact O-CG1 3.3Å; I14-I18 PolarHBondContact O-N 3.38Å; I15-I18 PolarHBondContact O-N 3.26Å; I15-I18 VanDerWaalsContact O-N 3.13Å; I18-Q21 WeakPolarHBondContact O-CB 3.32Å; I18-Q21 PolarHBondContact O-N 2.93Å; I18-N22 WeakPolarHBondContact O-CB 3.36Å; I18-N22 PolarHBondContact O-N 3.37Å
19E85.8Confident80.5Confident110 Ų11082.1 Ų82.151%0.51442%0.417SS..Hα-helixtrans-61.9-45.3178-72.3-173.1145.300111.7I15 T16 Q21 N22 I23I15-E19 HydrophobicContact CG2-CG 4.46Å; I15-E19 PolarHBondContact O-N 2.86Å; T16-E19 PolarHBondContact O-N 3.21Å; E19-Q21 VanDerWaalsContact C-N 3.27Å; E19-Q21 PolarHBondContact O-N 3.45Å; E19-N22 PolarHBondContact O-N 3.44Å; E19-N22 VanDerWaalsContact O-N 3.16Å; E19-I23 VanDerWaalsContact O-CB 3.3Å; E19-I23 WeakPolarHBondContact O-CB 3.5Å; E19-I23 WeakPolarHBondContact O-CG1 3.3Å; E19-I23 PolarHBondContact O-N 3.26Å
20I84.4Confident79.4Confident74 Ų7489.7 Ų89.738%0.37944%0.442SS..Hα-helixtrans-59.5-40.2175.7-66.9165.2000110.6T16 R24 F47T16-I20 WeakPolarHBondContact O-CB 3.4Å; T16-I20 WeakPolarHBondContact O-CD1 3.15Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å; T16-I20 PolarHBondContact O-N 2.86Å; I20-R24 WeakPolarHBondContact O-CB 3.34Å; I20-R24 PolarHBondContact O-N 3.32Å; I20-F47 HydrophobicContact CG2-CE2 3.78Å; I20-F47 HydrophobicContact CG2-CZ 3.56Å
21Q80.1Confident78Confident104 Ų10489.9 Ų89.949%0.48645%0.447SS..Hα-helixtrans-68.2-40.3175.6-72.8177.82.900112.7T17 I18 E19 R24 S25T17-Q21 VanDerWaalsContact O-CG 3.28Å; T17-Q21 WeakPolarHBondContact O-CG 3.46Å; T17-Q21 PolarHBondContact O-N 2.87Å; I18-Q21 WeakPolarHBondContact O-CB 3.32Å; I18-Q21 PolarHBondContact O-N 2.93Å; E19-Q21 VanDerWaalsContact C-N 3.27Å; E19-Q21 PolarHBondContact O-N 3.45Å; Q21-R24 WeakPolarHBondContact O-CB 3.4Å; Q21-R24 PolarHBondContact O-N 3.38Å; Q21-S25 WeakPolarHBondContact O-CB 3.33Å; Q21-S25 PolarHBondContact O-N 3.14Å
22N78.9Confident76.6Confident108 Ų10888.1 Ų88.158%0.57844%0.442SS*.Hα-helixtrans-65.9-44.1177.8-174.243.5000111.1I18 E19 R24 S25 A26I18-N22 WeakPolarHBondContact O-CB 3.36Å; I18-N22 PolarHBondContact O-N 3.37Å; E19-N22 PolarHBondContact O-N 3.44Å; E19-N22 VanDerWaalsContact O-N 3.16Å; N22-R24 VanDerWaalsContact C-N 3.33Å; N22-R24 PolarHBondContact O-N 2.89Å; N22-S25 WeakPolarHBondContact O-CB 3.18Å; N22-S25 PolarHBondContact O-N 3.49Å; N22-S25 VanDerWaalsContact O-N 3.14Å; N22-A26 WeakPolarHBondContact O-CB 3.45Å; N22-A26 PolarHBondContact O-N 3.47Å
23I79.6Confident75.3Confident87 Ų8787.6 Ų87.645%0.44645%0.453SS..Hα-helixtrans-57.4-47.6172.4-71.9171.2000109.7E19 S25 A26 F27E19-I23 VanDerWaalsContact O-CB 3.3Å; E19-I23 WeakPolarHBondContact O-CB 3.5Å; E19-I23 WeakPolarHBondContact O-CG1 3.3Å; E19-I23 PolarHBondContact O-N 3.26Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 2.84Å; I23-A26 PolarHBondContact O-N 3.49Å; I23-F27 HydrophobicContact CG2-CD2 3.41Å; I23-F27 VanDerWaalsContact CG2-CD2 3.41Å; I23-F27 HydrophobicContact CG2-CE2 3.14Å; I23-F27 HydrophobicContact CG2-CZ 4.31Å; I23-F27 WeakPolarHBondContact O-CB 3.23Å; I23-F27 WeakPolarHBondContact O-CD2 3.45Å; I23-F27 WeakPolarHBondContact O-CG 3.16Å; I23-F27 PolarHBondContact O-N 3.42Å
24R69.6Low74.1Confident59 Ų5990.1 Ų90.122%0.22348%0.476CS..Hα-helixtrans-58.9-41.4174.7-173.8-179.5-178.1-164.72.7112.6I20 Q21 N22 K28I20-R24 WeakPolarHBondContact O-CB 3.34Å; I20-R24 PolarHBondContact O-N 3.32Å; Q21-R24 WeakPolarHBondContact O-CB 3.4Å; Q21-R24 PolarHBondContact O-N 3.38Å; N22-R24 VanDerWaalsContact C-N 3.33Å; N22-R24 PolarHBondContact O-N 2.89Å; R24-K28 WeakPolarHBondContact O-CG 3.38Å; R24-K28 PolarHBondContact O-N 3.25Å; R24-K28 VanDerWaalsContact O-N 3.09Å
25S72.1Confident72.7Confident57 Ų5787.2 Ų87.240%0.39946%0.46SS..Hα-helixtrans-66.3-42.3177.2-172.20000112.1Q21 N22 I23 K28 K29Q21-S25 WeakPolarHBondContact O-CB 3.33Å; Q21-S25 PolarHBondContact O-N 3.14Å; N22-S25 WeakPolarHBondContact O-CB 3.18Å; N22-S25 PolarHBondContact O-N 3.49Å; N22-S25 VanDerWaalsContact O-N 3.14Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 2.84Å; S25-K28 PolarHBondContact O-N 3.34Å; S25-K29 PolarHBondContact O-N 2.99Å
26A71.9Confident71Confident56 Ų5687.4 Ų87.446%0.46347%0.465SS..Hα-helixtrans-62.7-43.5175.900000111.3N22 I23 K28 K29 R30N22-A26 WeakPolarHBondContact O-CB 3.45Å; N22-A26 PolarHBondContact O-N 3.47Å; I23-A26 PolarHBondContact O-N 3.49Å; A26-K28 PolarHBondContact O-N 3.05Å; A26-K29 PolarHBondContact O-N 3.48Å; A26-K29 VanDerWaalsContact O-N 3.13Å; A26-R30 PolarHBondContact O-N 3.31Å
27F63Low69.6Low60 Ų6090.1 Ų90.126%0.26348%0.476SS..Hα-helixtrans-66.6-35.1177.7-76.6-58.4000113.6I23 K29 R30 P31 P32 F35I23-F27 HydrophobicContact CG2-CD2 3.41Å; I23-F27 VanDerWaalsContact CG2-CD2 3.41Å; I23-F27 HydrophobicContact CG2-CE2 3.14Å; I23-F27 HydrophobicContact CG2-CZ 4.31Å; I23-F27 WeakPolarHBondContact O-CB 3.23Å; I23-F27 WeakPolarHBondContact O-CD2 3.45Å; I23-F27 WeakPolarHBondContact O-CG 3.16Å; I23-F27 PolarHBondContact O-N 3.42Å; F27-K29 PolarHBondContact O-N 2.93Å; F27-R30 CarbonylContact O-C 3.19Å; F27-R30 PolarHBondContact O-N 3.43Å; F27-P31 WeakPolarHBondContact O-CA 3.33Å; F27-P32 HydrophobicContact CD1-CG 4.06Å; F27-P32 HydrophobicContact CE1-CG 3.79Å; F27-F35 HydrophobicContact CB-CD1 3.83Å; F27-F35 HydrophobicContact CB-CE1 3.47Å; F27-F35 VanDerWaalsContact CB-CE1 3.47Å; F27-F35 HydrophobicContact CB-CE2 4.2Å; F27-F35 HydrophobicContact CB-CG 4.36Å; F27-F35 HydrophobicContact CB-CZ 3.65Å; F27-F35 HydrophobicContact CD1-CD1 4.26Å; F27-F35 AromaticContact CD1-CD2 3.75Å; F27-F35 HydrophobicContact CD1-CD2 3.75Å; F27-F35 HydrophobicContact CD1-CE1 4.42Å; F27-F35 AromaticContact CD1-CE2 3.9Å; F27-F35 HydrophobicContact CD1-CE2 3.9Å; F27-F35 AromaticContact CD1-CG 3.93Å; F27-F35 HydrophobicContact CD1-CG 3.93Å; F27-F35 HydrophobicContact CD1-CZ 4.24Å; F27-F35 AromaticContact CD2-CD2 3.93Å; F27-F35 HydrophobicContact CD2-CD2 3.93Å; F27-F35 HydrophobicContact CD2-CE1 4Å; F27-F35 AromaticContact CD2-CE2 3.19Å; F27-F35 HydrophobicContact CD2-CE2 3.19Å; F27-F35 AromaticContact CD2-CZ 3.24Å; F27-F35 HydrophobicContact CD2-CZ 3.24Å; F27-F35 AromaticContact CE1-CD2 3.8Å; F27-F35 HydrophobicContact CE1-CD2 3.8Å; F27-F35 HydrophobicContact CE1-CE2 4.02Å; F27-F35 HydrophobicContact CE1-CG 4.35Å; F27-F35 AromaticContact CE2-CD2 3.92Å; F27-F35 HydrophobicContact CE2-CD2 3.92Å; F27-F35 AromaticContact CE2-CE2 3.29Å; F27-F35 HydrophobicContact CE2-CE2 3.29Å; F27-F35 AromaticContact CE2-CZ 3.85Å; F27-F35 HydrophobicContact CE2-CZ 3.85Å; F27-F35 HydrophobicContact CG-CD1 4.03Å; F27-F35 AromaticContact CG-CD2 3.84Å; F27-F35 HydrophobicContact CG-CD2 3.84Å; F27-F35 AromaticContact CG-CE1 3.75Å; F27-F35 HydrophobicContact CG-CE1 3.75Å; F27-F35 AromaticContact CG-CE2 3.51Å; F27-F35 HydrophobicContact CG-CE2 3.51Å; F27-F35 HydrophobicContact CG-CG 4.07Å; F27-F35 AromaticContact CG-CZ 3.47Å; F27-F35 HydrophobicContact CG-CZ 3.47Å; F27-F35 VanDerWaalsContact CG-CZ 3.47Å; F27-F35 AromaticContact CZ-CD2 3.9Å; F27-F35 HydrophobicContact CZ-CD2 3.9Å; F27-F35 AromaticContact CZ-CE2 3.75Å; F27-F35 HydrophobicContact CZ-CE2 3.75Å
28K62.5Low68.2Low131 Ų13192.8 Ų92.857%0.5749%0.489SS*.Hα-helixtrans-60.3-30.3171.7-76.9-177.9176.5-169.40113.2R24 S25 A26R24-K28 WeakPolarHBondContact O-CG 3.38Å; R24-K28 PolarHBondContact O-N 3.25Å; R24-K28 VanDerWaalsContact O-N 3.09Å; S25-K28 PolarHBondContact O-N 3.34Å; A26-K28 PolarHBondContact O-N 3.05Å
29K67.4Low66.7Low169 Ų16991.9 Ų91.974%0.73548%0.482SS*.Hα-helixtrans-80.5-27.2179.3-67.9-179.1-179.5-178.80112.7S25 A26 F27S25-K29 PolarHBondContact O-N 2.99Å; A26-K29 PolarHBondContact O-N 3.48Å; A26-K29 VanDerWaalsContact O-N 3.13Å; F27-K29 PolarHBondContact O-N 2.93Å
30R62.7Low65.3Low212 Ų21292.5 Ų92.580%0.849%0.489SS*.SBendtrans-15087.1178.8-64.1-176-174.8178.51108.9A26 F27 P32A26-R30 PolarHBondContact O-N 3.31Å; F27-R30 CarbonylContact O-C 3.19Å; F27-R30 PolarHBondContact O-N 3.43Å; R30-P32 WeakPolarHBondContact O-CD 3.42Å
31P58.4Low63.9Low67 Ų6793.8 Ų93.844%0.43550%0.495SS..  trans-72.5111.5175.727-31000108.1F27F27-P31 WeakPolarHBondContact O-CA 3.33Å
32P59.4Low62.9Low57 Ų5789.8 Ų89.837%0.3748%0.477SS..  trans-63.4147.8164.927.3-28.6000108F27 R30 S34 F35F27-P32 HydrophobicContact CD1-CG 4.06Å; F27-P32 HydrophobicContact CE1-CG 3.79Å; R30-P32 WeakPolarHBondContact O-CD 3.42Å; P32-S34 PolarHBondContact O-N 3.05Å; P32-F35 HydrophobicContact CG-CB 3.87Å; P32-F35 WeakPolarHBondContact O-CA 3.29Å; P32-F35 VanDerWaalsContact O-CB 3.28Å; P32-F35 WeakPolarHBondContact O-CB 3.35Å; P32-F35 PolarHBondContact O-N 3.48Å
33A61Low62.2Low93 Ų9387.9 Ų87.977%0.76947%0.472SS*.G310 helixtrans-54.6-29.6-172.600000114.1F35A33-F35 VanDerWaalsContact C-N 3.26Å; A33-F35 PolarHBondContact O-N 3.17Å
34S60.4Low61.5Low96 Ų9686.7 Ų86.767%0.67147%0.469SS*.G310 helixtrans-70.8-16.4174.439.50000114.2P32P32-S34 PolarHBondContact O-N 3.05Å
35F58.3Low61.7Low28 Ų2889.6 Ų89.612%0.12349%0.49CS..G310 helixtrans-90.8-13.7-178.2-155.8-93.7000113.7F27 P32 A33 I37 L38 E39F27-F35 HydrophobicContact CB-CD1 3.83Å; F27-F35 HydrophobicContact CB-CE1 3.47Å; F27-F35 VanDerWaalsContact CB-CE1 3.47Å; F27-F35 HydrophobicContact CB-CE2 4.2Å; F27-F35 HydrophobicContact CB-CG 4.36Å; F27-F35 HydrophobicContact CB-CZ 3.65Å; F27-F35 HydrophobicContact CD1-CD1 4.26Å; F27-F35 AromaticContact CD1-CD2 3.75Å; F27-F35 HydrophobicContact CD1-CD2 3.75Å; F27-F35 HydrophobicContact CD1-CE1 4.42Å; F27-F35 AromaticContact CD1-CE2 3.9Å; F27-F35 HydrophobicContact CD1-CE2 3.9Å; F27-F35 AromaticContact CD1-CG 3.93Å; F27-F35 HydrophobicContact CD1-CG 3.93Å; F27-F35 HydrophobicContact CD1-CZ 4.24Å; F27-F35 AromaticContact CD2-CD2 3.93Å; F27-F35 HydrophobicContact CD2-CD2 3.93Å; F27-F35 HydrophobicContact CD2-CE1 4Å; F27-F35 AromaticContact CD2-CE2 3.19Å; F27-F35 HydrophobicContact CD2-CE2 3.19Å; F27-F35 AromaticContact CD2-CZ 3.24Å; F27-F35 HydrophobicContact CD2-CZ 3.24Å; F27-F35 AromaticContact CE1-CD2 3.8Å; F27-F35 HydrophobicContact CE1-CD2 3.8Å; F27-F35 HydrophobicContact CE1-CE2 4.02Å; F27-F35 HydrophobicContact CE1-CG 4.35Å; F27-F35 AromaticContact CE2-CD2 3.92Å; F27-F35 HydrophobicContact CE2-CD2 3.92Å; F27-F35 AromaticContact CE2-CE2 3.29Å; F27-F35 HydrophobicContact CE2-CE2 3.29Å; F27-F35 AromaticContact CE2-CZ 3.85Å; F27-F35 HydrophobicContact CE2-CZ 3.85Å; F27-F35 HydrophobicContact CG-CD1 4.03Å; F27-F35 AromaticContact CG-CD2 3.84Å; F27-F35 HydrophobicContact CG-CD2 3.84Å; F27-F35 AromaticContact CG-CE1 3.75Å; F27-F35 HydrophobicContact CG-CE1 3.75Å; F27-F35 AromaticContact CG-CE2 3.51Å; F27-F35 HydrophobicContact CG-CE2 3.51Å; F27-F35 HydrophobicContact CG-CG 4.07Å; F27-F35 AromaticContact CG-CZ 3.47Å; F27-F35 HydrophobicContact CG-CZ 3.47Å; F27-F35 VanDerWaalsContact CG-CZ 3.47Å; F27-F35 AromaticContact CZ-CD2 3.9Å; F27-F35 HydrophobicContact CZ-CD2 3.9Å; F27-F35 AromaticContact CZ-CE2 3.75Å; F27-F35 HydrophobicContact CZ-CE2 3.75Å; P32-F35 HydrophobicContact CG-CB 3.87Å; P32-F35 WeakPolarHBondContact O-CA 3.29Å; P32-F35 VanDerWaalsContact O-CB 3.28Å; P32-F35 WeakPolarHBondContact O-CB 3.35Å; P32-F35 PolarHBondContact O-N 3.48Å; A33-F35 VanDerWaalsContact C-N 3.26Å; A33-F35 PolarHBondContact O-N 3.17Å; F35-I37 PolarHBondContact O-N 3.42Å; F35-I37 VanDerWaalsContact O-N 3.16Å; F35-L38 HydrophobicContact CD1-CB 4.31Å; F35-L38 HydrophobicContact CD2-CB 3.97Å; F35-L38 HydrophobicContact CD2-CD2 3.89Å; F35-L38 HydrophobicContact CE1-CB 4.3Å; F35-L38 HydrophobicContact CE1-CD2 4.38Å; F35-L38 HydrophobicContact CE2-CB 3.98Å; F35-L38 HydrophobicContact CE2-CD2 3.15Å; F35-L38 HydrophobicContact CE2-CG 4.05Å; F35-L38 HydrophobicContact CG-CB 4.15Å; F35-L38 HydrophobicContact CZ-CB 4.14Å; F35-L38 HydrophobicContact CZ-CD2 3.45Å; F35-L38 VanDerWaalsContact CZ-CD2 3.45Å; F35-L38 HydrophobicContact CZ-CG 4.08Å; F35-L38 CarbonylContact O-C 3.11Å; F35-L38 WeakPolarHBondContact O-CA 3.4Å; F35-L38 PolarHBondContact O-N 2.7Å; F35-E39 HydrophobicContact CD1-CB 4.09Å; F35-E39 HydrophobicContact CE1-CB 4.31Å; F35-E39 WeakPolarHBondContact O-CB 3.41Å; F35-E39 PolarHBondContact O-N 2.84Å
36V55.5Low61.6Low85 Ų8595.3 Ų95.352%0.51550%0.502SS..Hα-helixtrans-57.4-30.3170.7179.80000110.3N40V36-N40 WeakPolarHBondContact O-CB 3.46Å; V36-N40 PolarHBondContact O-N 2.86Å
37I59.1Low61.6Low111 Ų11194.1 Ų94.157%0.56949%0.487SS*.Hα-helixtrans-66.8-43.9173.4-59.9172000110.9F35 M41F35-I37 PolarHBondContact O-N 3.42Å; F35-I37 VanDerWaalsContact O-N 3.16Å; I37-M41 HydrophobicContact CG2-CE 3.73Å; I37-M41 WeakPolarHBondContact O-CG 3.28Å; I37-M41 PolarHBondContact O-N 3.48Å
38L54.8Low62.2Low86 Ų8698.7 Ų98.745%0.4550%0.502SS..Hα-helixtrans-71.1-48.5177-162.864.2000110.5F35 N40 M41 T42F35-L38 HydrophobicContact CD1-CB 4.31Å; F35-L38 HydrophobicContact CD2-CB 3.97Å; F35-L38 HydrophobicContact CD2-CD2 3.89Å; F35-L38 HydrophobicContact CE1-CB 4.3Å; F35-L38 HydrophobicContact CE1-CD2 4.38Å; F35-L38 HydrophobicContact CE2-CB 3.98Å; F35-L38 HydrophobicContact CE2-CD2 3.15Å; F35-L38 HydrophobicContact CE2-CG 4.05Å; F35-L38 HydrophobicContact CG-CB 4.15Å; F35-L38 HydrophobicContact CZ-CB 4.14Å; F35-L38 HydrophobicContact CZ-CD2 3.45Å; F35-L38 VanDerWaalsContact CZ-CD2 3.45Å; F35-L38 HydrophobicContact CZ-CG 4.08Å; F35-L38 CarbonylContact O-C 3.11Å; F35-L38 WeakPolarHBondContact O-CA 3.4Å; F35-L38 PolarHBondContact O-N 2.7Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-N40 PolarHBondContact O-N 3.2Å; L38-M41 CarbonylContact O-C 3.51Å; L38-M41 WeakPolarHBondContact O-CA 3.37Å; L38-M41 WeakPolarHBondContact O-CB 3.35Å; L38-M41 PolarHBondContact O-N 2.51Å; L38-T42 VanDerWaalsContact C-OG1 3.26Å; L38-T42 VanDerWaalsContact O-CB 3.29Å; L38-T42 WeakPolarHBondContact O-CB 3.42Å; L38-T42 PolarHBondContact O-N 2.97Å; L38-T42 PolarHBondContact O-OG1 2.92Å
39E56.2Low63Low79 Ų79100.1 Ų100.137%0.36951%0.508SS..Hα-helixtrans-59.3-39.6178.4-173168.6-14600112.6F35 T42 S43F35-E39 HydrophobicContact CD1-CB 4.09Å; F35-E39 HydrophobicContact CE1-CB 4.31Å; F35-E39 WeakPolarHBondContact O-CB 3.41Å; F35-E39 PolarHBondContact O-N 2.84Å; E39-T42 CarbonylContact O-C 3.42Å; E39-T42 WeakPolarHBondContact O-CA 3.46Å; E39-T42 PolarHBondContact O-N 2.75Å; E39-S43 PolarHBondContact O-N 3.01Å
40N55.6Low63.5Low123 Ų12396.8 Ų96.866%0.65850%0.498SS*.Hα-helixtrans-64.3-38.9173.4-171.131.2000111.7V36 L38 T42 S43V36-N40 WeakPolarHBondContact O-CB 3.46Å; V36-N40 PolarHBondContact O-N 2.86Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-N40 PolarHBondContact O-N 3.2Å; N40-T42 VanDerWaalsContact C-N 3.28Å; N40-T42 PolarHBondContact O-N 3.04Å; N40-S43 PolarHBondContact O-OG 3.25Å
41M54.8Low64.3Low102 Ų10288.8 Ų88.850%0.50247%0.471SS..Hα-helixtrans-70.1-24168.9-66.2-174.7-155.500113I37 L38I37-M41 HydrophobicContact CG2-CE 3.73Å; I37-M41 WeakPolarHBondContact O-CG 3.28Å; I37-M41 PolarHBondContact O-N 3.48Å; L38-M41 CarbonylContact O-C 3.51Å; L38-M41 WeakPolarHBondContact O-CA 3.37Å; L38-M41 WeakPolarHBondContact O-CB 3.35Å; L38-M41 PolarHBondContact O-N 2.51Å
42T59.4Low65.5Low19 Ų1993.6 Ų93.612%0.11748%0.481CS..THydrogen-bonded Turntrans-96.112.4-176.7-41.30000112.4L38 E39 N40 T44 F47L38-T42 VanDerWaalsContact C-OG1 3.26Å; L38-T42 VanDerWaalsContact O-CB 3.29Å; L38-T42 WeakPolarHBondContact O-CB 3.42Å; L38-T42 PolarHBondContact O-N 2.97Å; L38-T42 PolarHBondContact O-OG1 2.92Å; E39-T42 CarbonylContact O-C 3.42Å; E39-T42 WeakPolarHBondContact O-CA 3.46Å; E39-T42 PolarHBondContact O-N 2.75Å; N40-T42 VanDerWaalsContact C-N 3.28Å; N40-T42 PolarHBondContact O-N 3.04Å; T42-T44 PolarHBondContact O-N 3.41Å; T42-F47 HydrophobicContact CG2-CB 3.54Å; T42-F47 HydrophobicContact CG2-CD1 4.32Å; T42-F47 HydrophobicContact CG2-CD2 4.05Å; T42-F47 HydrophobicContact CG2-CG 3.71Å
43S64.1Low66.6Low68 Ų6896.6 Ų96.648%0.47649%0.491SS..SBendtrans-61.282.8170.750.40000109.3E39 N40 D45E39-S43 PolarHBondContact O-N 3.01Å; N40-S43 PolarHBondContact O-OG 3.25Å; S43-D45 PolarHBondContact O-N 2.99Å
44T64.5Low67.7Low62 Ų6295 Ų9538%0.3847%0.473SS..THydrogen-bonded Turntrans47.8-38.3170.4-47.40000119.5T42 R48T42-T44 PolarHBondContact O-N 3.41Å; T44-R48 VanDerWaalsContact CG2-CZ 3.46Å; T44-R48 WeakPolarHBondContact O-CB 3.37Å; T44-R48 VanDerWaalsContact O-CD 3.23Å; T44-R48 WeakPolarHBondContact O-CD 3.03Å; T44-R48 WeakPolarHBondContact O-CG 3.36Å
45D73.6Confident68.8Low121 Ų12195.4 Ų95.465%0.64746%0.463SS*.Hα-helixtrans-91.7-45.3-170.3-64.4-35.5000113.7S43 R48 K49S43-D45 PolarHBondContact O-N 2.99Å; D45-R48 PolarHBondContact O-N 3.02Å; D45-K49 WeakPolarHBondContact O-CB 3.16Å; D45-K49 PolarHBondContact O-N 3.45Å
46R71.3Confident70.2Confident177 Ų17796.6 Ų96.667%0.66847%0.472SS*.Hα-helixtrans-67.5-41.4-176.9-62.3-175.8-169.3-179.24.3112.5K49 L50R46-K49 PolarHBondContact O-N 3.41Å; R46-L50 WeakPolarHBondContact O-CB 3.47Å; R46-L50 PolarHBondContact O-N 3.06Å
47F71.7Confident71.5Confident30 Ų3094.4 Ų94.413%0.13246%0.461CS..Hα-helixtrans-68-40.8178.6178.7-100.4000112.1I20 T42 K49 L50 L51I20-F47 HydrophobicContact CG2-CE2 3.78Å; I20-F47 HydrophobicContact CG2-CZ 3.56Å; T42-F47 HydrophobicContact CG2-CB 3.54Å; T42-F47 HydrophobicContact CG2-CD1 4.32Å; T42-F47 HydrophobicContact CG2-CD2 4.05Å; T42-F47 HydrophobicContact CG2-CG 3.71Å; F47-K49 VanDerWaalsContact C-N 3.32Å; F47-K49 PolarHBondContact O-N 2.66Å; F47-L50 PolarHBondContact O-N 3.33Å; F47-L51 HydrophobicContact CD1-CD1 3.97Å; F47-L51 HydrophobicContact CD1-CG 4.3Å; F47-L51 HydrophobicContact CE1-CD1 3.24Å; F47-L51 HydrophobicContact CE1-CD2 4.49Å; F47-L51 HydrophobicContact CE1-CG 3.79Å; F47-L51 HydrophobicContact CE2-CD1 4.49Å; F47-L51 HydrophobicContact CE2-CD2 4.37Å; F47-L51 HydrophobicContact CE2-CG 4.23Å; F47-L51 HydrophobicContact CZ-CD1 3.54Å; F47-L51 HydrophobicContact CZ-CD2 3.96Å; F47-L51 HydrophobicContact CZ-CG 3.73Å; F47-L51 WeakPolarHBondContact O-CG 3.47Å; F47-L51 PolarHBondContact O-N 2.95Å
48R74.6Confident72.8Confident157 Ų15791.3 Ų91.359%0.59244%0.443SS*.Hα-helixtrans-61.2-43.2172.5-76.9178.8-178.3175.50.6111T44 D45 L50 L51 Y52T44-R48 VanDerWaalsContact CG2-CZ 3.46Å; T44-R48 WeakPolarHBondContact O-CB 3.37Å; T44-R48 VanDerWaalsContact O-CD 3.23Å; T44-R48 WeakPolarHBondContact O-CD 3.03Å; T44-R48 WeakPolarHBondContact O-CG 3.36Å; D45-R48 PolarHBondContact O-N 3.02Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 3.28Å; R48-L51 PolarHBondContact O-N 3.48Å; R48-Y52 WeakPolarHBondContact O-CB 3.36Å; R48-Y52 PolarHBondContact O-N 3.05Å
49K81.1Confident74.1Confident161 Ų16189.2 Ų89.270%0.744%0.436SS*.Hα-helixtrans-62.2-39.7175.5-170.7174.8-177.6177.60112.2D45 R46 F47 Y52 H53D45-K49 WeakPolarHBondContact O-CB 3.16Å; D45-K49 PolarHBondContact O-N 3.45Å; R46-K49 PolarHBondContact O-N 3.41Å; F47-K49 VanDerWaalsContact C-N 3.32Å; F47-K49 PolarHBondContact O-N 2.66Å; K49-Y52 PolarHBondContact O-N 3.13Å; K49-H53 WeakPolarHBondContact O-CB 3.3Å; K49-H53 PolarHBondContact O-N 3.01Å
50L77.4Confident75.5Confident98 Ų9888.8 Ų88.851%0.51344%0.439SS..Hα-helixtrans-64.5-49.2175.7-17864.3000111.2R46 F47 R48 Y52 H53 C54R46-L50 WeakPolarHBondContact O-CB 3.47Å; R46-L50 PolarHBondContact O-N 3.06Å; F47-L50 PolarHBondContact O-N 3.33Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 3.28Å; L50-Y52 VanDerWaalsContact C-N 3.29Å; L50-Y52 PolarHBondContact O-N 2.98Å; L50-H53 PolarHBondContact O-N 3.23Å; L50-C54 PolarHBondContact O-N 2.97Å; L50-C54 PolarHBondContact O-SG 2.96Å
51L79.8Confident76.8Confident44 Ų4491.2 Ų91.223%0.2344%0.439CS..Hα-helixtrans-59.4-41.6175.6-73.8-175.8000112F47 R48 C54 F55F47-L51 HydrophobicContact CD1-CD1 3.97Å; F47-L51 HydrophobicContact CD1-CG 4.3Å; F47-L51 HydrophobicContact CE1-CD1 3.24Å; F47-L51 HydrophobicContact CE1-CD2 4.49Å; F47-L51 HydrophobicContact CE1-CG 3.79Å; F47-L51 HydrophobicContact CE2-CD1 4.49Å; F47-L51 HydrophobicContact CE2-CD2 4.37Å; F47-L51 HydrophobicContact CE2-CG 4.23Å; F47-L51 HydrophobicContact CZ-CD1 3.54Å; F47-L51 HydrophobicContact CZ-CD2 3.96Å; F47-L51 HydrophobicContact CZ-CG 3.73Å; F47-L51 WeakPolarHBondContact O-CG 3.47Å; F47-L51 PolarHBondContact O-N 2.95Å; R48-L51 PolarHBondContact O-N 3.48Å; L51-C54 PolarHBondContact O-N 2.72Å; L51-F55 WeakPolarHBondContact O-CB 3.49Å; L51-F55 PolarHBondContact O-N 3.46Å
52Y82.6Confident77.8Confident168 Ų16887.1 Ų87.166%0.65942%0.419SS*.Hα-helixtrans-62.7-45.8176.1-173.3-98.2000111.2R48 K49 L50 C54 F55 T56R48-Y52 WeakPolarHBondContact O-CB 3.36Å; R48-Y52 PolarHBondContact O-N 3.05Å; K49-Y52 PolarHBondContact O-N 3.13Å; L50-Y52 VanDerWaalsContact C-N 3.29Å; L50-Y52 PolarHBondContact O-N 2.98Å; Y52-C54 PolarHBondContact O-N 2.94Å; Y52-F55 PolarHBondContact O-N 3.44Å; Y52-T56 WeakPolarHBondContact O-CB 3.44Å; Y52-T56 PolarHBondContact O-N 3.02Å; Y52-T56 PolarHBondContact O-OG1 3.2Å; Y52-T56 VanDerWaalsContact O-OG1 3.06Å
53H83.7Confident78.8Confident121 Ų12191.6 Ų91.656%0.5645%0.446SS*.Hα-helixtrans-62.5-40.4176.4-174.752.5000112.5K49 L50 S57K49-H53 WeakPolarHBondContact O-CB 3.3Å; K49-H53 PolarHBondContact O-N 3.01Å; L50-H53 PolarHBondContact O-N 3.23Å; H53-S57 VanDerWaalsContact O-CB 3.24Å; H53-S57 WeakPolarHBondContact O-CB 3.19Å; H53-S57 PolarHBondContact O-N 2.87Å; H53-S57 PolarHBondContact O-OG 3.37Å
54C82.6Confident79.6Confident58 Ų5894.8 Ų94.839%0.39246%0.457SS..Hα-helixtrans-63-44.2174-68.50000111.5L50 L51 Y52 F58L50-C54 PolarHBondContact O-N 2.97Å; L50-C54 PolarHBondContact O-SG 2.96Å; L51-C54 PolarHBondContact O-N 2.72Å; Y52-C54 PolarHBondContact O-N 2.94Å; C54-F58 WeakPolarHBondContact O-CB 3.4Å; C54-F58 PolarHBondContact O-N 2.92Å
55F84.4Confident80Confident105 Ų10595.2 Ų95.246%0.46146%0.456SS..Hα-helixtrans-64.7-46.8178.9-177.4-97.4000112.4F13 L51 Y52 S59F13-F55 AromaticContact CE1-CD2 3.57Å; F13-F55 HydrophobicContact CE1-CD2 3.57Å; F13-F55 HydrophobicContact CE1-CE2 4.19Å; F13-F55 HydrophobicContact CZ-CB 4.07Å; F13-F55 AromaticContact CZ-CD2 3.73Å; F13-F55 HydrophobicContact CZ-CD2 3.73Å; F13-F55 HydrophobicContact CZ-CG 4.41Å; L51-F55 WeakPolarHBondContact O-CB 3.49Å; L51-F55 PolarHBondContact O-N 3.46Å; Y52-F55 PolarHBondContact O-N 3.44Å; F55-S59 WeakPolarHBondContact O-CB 3.44Å; F55-S59 PolarHBondContact O-N 3.31Å; F55-S59 PolarHBondContact O-OG 2.81Å
56T86.5Confident79.7Confident53 Ų5393.8 Ų93.833%0.32547%0.471SS..Hα-helixtrans-62.7-48.3177.2-580000110.5Y52 F58 S59 T60Y52-T56 WeakPolarHBondContact O-CB 3.44Å; Y52-T56 PolarHBondContact O-N 3.02Å; Y52-T56 PolarHBondContact O-OG1 3.2Å; Y52-T56 VanDerWaalsContact O-OG1 3.06Å; T56-F58 PolarHBondContact O-N 2.79Å; T56-S59 PolarHBondContact O-N 3.34Å; T56-T60 PolarHBondContact O-N 3.09Å; T56-T60 PolarHBondContact O-OG1 3.28Å
57S83.9Confident80.1Confident39 Ų3989.7 Ų89.727%0.27346%0.461SS..Hα-helixtrans-59.6-51.4179-58.90000110.5H53 S59 T60 W61H53-S57 VanDerWaalsContact O-CB 3.24Å; H53-S57 WeakPolarHBondContact O-CB 3.19Å; H53-S57 PolarHBondContact O-N 2.87Å; H53-S57 PolarHBondContact O-OG 3.37Å; S57-S59 VanDerWaalsContact C-N 3.33Å; S57-S59 PolarHBondContact O-N 3.16Å; S57-T60 WeakPolarHBondContact O-CB 3.43Å; S57-T60 PolarHBondContact O-N 2.81Å; S57-T60 VanDerWaalsContact O-N 3.12Å; S57-W61 PolarHBondContact O-N 2.91Å
58F85.2Confident80.6Confident46 Ų4692.8 Ų92.820%0.20248%0.478CS..Hα-helixtrans-53.7-50.5176180-100.3000111.4L9 I10 F13 C54 T56 T60 W61 M62L9-F58 HydrophobicContact CB-CE2 3.95Å; L9-F58 HydrophobicContact CB-CZ 3.84Å; L9-F58 WeakPolarHBondContact O-CZ 3.48Å; I10-F58 HydrophobicContact CG1-CE1 4.09Å; I10-F58 HydrophobicContact CG1-CZ 4.24Å; F13-F58 HydrophobicContact CB-CD1 4.28Å; F13-F58 HydrophobicContact CB-CD2 4.5Å; F13-F58 HydrophobicContact CB-CE1 3.94Å; F13-F58 HydrophobicContact CB-CE2 4.18Å; F13-F58 HydrophobicContact CB-CZ 3.9Å; F13-F58 HydrophobicContact CD1-CD1 4.41Å; F13-F58 HydrophobicContact CD2-CB 4.11Å; F13-F58 HydrophobicContact CD2-CD1 4.01Å; F13-F58 HydrophobicContact CD2-CD2 4.11Å; F13-F58 AromaticContact CD2-CG 3.79Å; F13-F58 HydrophobicContact CD2-CG 3.79Å; F13-F58 HydrophobicContact CE2-CB 4.11Å; F13-F58 HydrophobicContact CE2-CG 4.28Å; F13-F58 AromaticContact CG-CD1 3.94Å; F13-F58 HydrophobicContact CG-CD1 3.94Å; F13-F58 HydrophobicContact CG-CE1 4.08Å; F13-F58 HydrophobicContact CG-CG 4.18Å; F13-F58 HydrophobicContact CG-CZ 4.44Å; C54-F58 WeakPolarHBondContact O-CB 3.4Å; C54-F58 PolarHBondContact O-N 2.92Å; T56-F58 PolarHBondContact O-N 2.79Å; F58-T60 VanDerWaalsContact C-N 3.33Å; F58-T60 PolarHBondContact O-N 3.16Å; F58-W61 PolarHBondContact O-N 3.26Å; F58-W61 VanDerWaalsContact O-N 3.16Å; F58-M62 HydrophobicContact CD1-CG 4.04Å; F58-M62 HydrophobicContact CD2-CG 4.49Å; F58-M62 HydrophobicContact CE1-CG 3.64Å; F58-M62 HydrophobicContact CE1-SD 4.25Å; F58-M62 HydrophobicContact CE2-CG 4.13Å; F58-M62 HydrophobicContact CE2-SD 3.96Å; F58-M62 HydrophobicContact CG-CG 4.44Å; F58-M62 HydrophobicContact CZ-CE 4.37Å; F58-M62 HydrophobicContact CZ-CG 3.67Å; F58-M62 HydrophobicContact CZ-SD 3.67Å; F58-M62 VanDerWaalsContact O-CG 3.23Å; F58-M62 WeakPolarHBondContact O-CG 3.43Å; F58-M62 PolarHBondContact O-N 3.38Å
59S83.3Confident80.9Confident42 Ų4289.2 Ų89.229%0.29447%0.472SS..Hα-helixtrans-57.8-42.6177.6-57.70000112.6F55 T56 S57 M62 V63F55-S59 WeakPolarHBondContact O-CB 3.44Å; F55-S59 PolarHBondContact O-N 3.31Å; F55-S59 PolarHBondContact O-OG 2.81Å; T56-S59 PolarHBondContact O-N 3.34Å; S57-S59 VanDerWaalsContact C-N 3.33Å; S57-S59 PolarHBondContact O-N 3.16Å; S59-M62 PolarHBondContact O-N 3.14Å; S59-V63 WeakPolarHBondContact O-CG2 3.46Å; S59-V63 PolarHBondContact O-N 2.86Å
60T86.3Confident80.9Confident71 Ų7185 Ų8544%0.43646%0.458SS..Hα-helixtrans-62.7-44.4176-57.70000111.6T56 S57 F58 M62 V63 L64T56-T60 PolarHBondContact O-N 3.09Å; T56-T60 PolarHBondContact O-OG1 3.28Å; S57-T60 WeakPolarHBondContact O-CB 3.43Å; S57-T60 PolarHBondContact O-N 2.81Å; S57-T60 VanDerWaalsContact O-N 3.12Å; F58-T60 VanDerWaalsContact C-N 3.33Å; F58-T60 PolarHBondContact O-N 3.16Å; T60-M62 VanDerWaalsContact C-N 3.3Å; T60-M62 PolarHBondContact O-N 2.77Å; T60-V63 PolarHBondContact O-N 3.4Å; T60-L64 HydrophobicContact CG2-CD1 4Å; T60-L64 HydrophobicContact CG2-CG 4.37Å; T60-L64 WeakPolarHBondContact O-CG 3.41Å; T60-L64 PolarHBondContact O-N 3.24Å
61W82.6Confident81.1Confident173 Ų17384.2 Ų84.266%0.65546%0.455SS*.Hα-helixtrans-60.7-40175.1-83.284.3000111.5S57 F58 V63 L64 L65S57-W61 PolarHBondContact O-N 2.91Å; F58-W61 PolarHBondContact O-N 3.26Å; F58-W61 VanDerWaalsContact O-N 3.16Å; W61-V63 VanDerWaalsContact C-N 3.35Å; W61-V63 PolarHBondContact O-N 3.27Å; W61-L64 PolarHBondContact O-N 3.4Å; W61-L65 HydrophobicContact CE3-CD1 4.3Å; W61-L65 VanDerWaalsContact O-CB 3.3Å; W61-L65 WeakPolarHBondContact O-CB 3.04Å; W61-L65 WeakPolarHBondContact O-CD1 3.05Å; W61-L65 WeakPolarHBondContact O-CG 3.5Å; W61-L65 PolarHBondContact O-N 3.49Å
62M74.9Confident81.2Confident17 Ų1786.9 Ų86.98%0.08447%0.47CS..Hα-helixtrans-67.4-32.6177.7-64.5-57.4-68.300113.7R6 L9 I10 F58 S59 T60R6-M62 HydrophobicContact CB-CE 3.61Å; R6-M62 HydrophobicContact CG-CE 3.35Å; R6-M62 VanDerWaalsContact O-CE 3.3Å; R6-M62 WeakPolarHBondContact O-CE 3.28Å; L9-M62 HydrophobicContact CB-CE 4.14Å; L9-M62 HydrophobicContact CB-SD 3.92Å; L9-M62 HydrophobicContact CD1-CE 4.41Å; L9-M62 HydrophobicContact CD1-SD 3.65Å; L9-M62 HydrophobicContact CG-SD 4.46Å; I10-M62 HydrophobicContact CD1-CE 4.23Å; I10-M62 HydrophobicContact CG1-CE 3.99Å; F58-M62 HydrophobicContact CD1-CG 4.04Å; F58-M62 HydrophobicContact CD2-CG 4.49Å; F58-M62 HydrophobicContact CE1-CG 3.64Å; F58-M62 HydrophobicContact CE1-SD 4.25Å; F58-M62 HydrophobicContact CE2-CG 4.13Å; F58-M62 HydrophobicContact CE2-SD 3.96Å; F58-M62 HydrophobicContact CG-CG 4.44Å; F58-M62 HydrophobicContact CZ-CE 4.37Å; F58-M62 HydrophobicContact CZ-CG 3.67Å; F58-M62 HydrophobicContact CZ-SD 3.67Å; F58-M62 VanDerWaalsContact O-CG 3.23Å; F58-M62 WeakPolarHBondContact O-CG 3.43Å; F58-M62 PolarHBondContact O-N 3.38Å; S59-M62 PolarHBondContact O-N 3.14Å; T60-M62 VanDerWaalsContact C-N 3.3Å; T60-M62 PolarHBondContact O-N 2.77Å
63V81.3Confident81.1Confident113 Ų11381.1 Ų81.169%0.68546%0.456SS*.Hα-helixtrans-71.8-47.6173.21710000110.7S59 T60 W61 L65 G66S59-V63 WeakPolarHBondContact O-CG2 3.46Å; S59-V63 PolarHBondContact O-N 2.86Å; T60-V63 PolarHBondContact O-N 3.4Å; W61-V63 VanDerWaalsContact C-N 3.35Å; W61-V63 PolarHBondContact O-N 3.27Å; V63-L65 VanDerWaalsContact C-N 3.28Å; V63-L65 PolarHBondContact O-N 3.39Å; V63-G66 PolarHBondContact O-N 3.13Å; V63-G66 VanDerWaalsContact O-N 3.14Å
64L80Confident80.9Confident134 Ų13478 Ų7870%0.70245%0.448SS*.Hα-helixtrans-64.6-31.9-179.8-72.3173.1000113.1T60 W61 G66T60-L64 HydrophobicContact CG2-CD1 4Å; T60-L64 HydrophobicContact CG2-CG 4.37Å; T60-L64 WeakPolarHBondContact O-CG 3.41Å; T60-L64 PolarHBondContact O-N 3.24Å; W61-L64 PolarHBondContact O-N 3.4Å; L64-G66 VanDerWaalsContact C-N 3.28Å
65L74.2Confident80.7Confident71 Ų7179.7 Ų79.737%0.37245%0.453SS..THydrogen-bonded Turntrans-83.9-1.3178.1-69171.2000113.6M1 W61 V63M1-L65 HydrophobicContact CG-CB 3.88Å; M1-L65 HydrophobicContact CG-CD1 4.44Å; M1-L65 HydrophobicContact CG-CD2 4.44Å; M1-L65 HydrophobicContact CG-CG 4.48Å; M1-L65 PolarHBondContact N-O 3.02Å; M1-L65 HydrophobicContact SD-CB 3.53Å; M1-L65 VanDerWaalsContact SD-CB 3.53Å; M1-L65 HydrophobicContact SD-CD1 3.41Å; M1-L65 WeakPolarHBondContact SD-CD1 3.5Å; M1-L65 HydrophobicContact SD-CD2 4.41Å; M1-L65 HydrophobicContact SD-CG 3.96Å; W61-L65 HydrophobicContact CE3-CD1 4.3Å; W61-L65 VanDerWaalsContact O-CB 3.3Å; W61-L65 WeakPolarHBondContact O-CB 3.04Å; W61-L65 WeakPolarHBondContact O-CD1 3.05Å; W61-L65 WeakPolarHBondContact O-CG 3.5Å; W61-L65 PolarHBondContact O-N 3.49Å; V63-L65 VanDerWaalsContact C-N 3.28Å; V63-L65 PolarHBondContact O-N 3.39Å
66G66.1Low80.4Confident92 Ų9277.4 Ų77.495%0.94845%0.452SS*.  trans-80.50177.600000113.8V63 L64V63-G66 PolarHBondContact O-N 3.13Å; V63-G66 VanDerWaalsContact O-N 3.14Å; L64-G66 VanDerWaalsContact C-N 3.28Å

Retrieved 66 of 66 residues in 284.8 ms (Link to these results)

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