A0A087WPR0_MOUSE Loading...

Serine/threonine kinase 17b (apoptosis-inducing)

AlphaFold DB , UniProt , Accession A0A087WPR0, Species MOUSE (Mus musculus, Mouse), Gene Stk17b, Length 95 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
1M78.8Confident96Very high227 Ų22793.1 Ų93.1100%1.11849%0.485SS*.  0130.20-172.9-178-70.300106.4
2V93.1Very high96.2Very high95 Ų9595.6 Ų95.658%0.57649%0.489SS*.  trans-84.2126.7177-179.90000107.7D6 V7V2-D6 HydrophobicContact CG1-CB 3.71Å; V2-V7 HydrophobicContact CG1-CG2 3.91Å
3S97.4Very high96.4Very high53 Ų5391.1 Ų91.137%0.37147%0.465SS..  trans-91.2165.4178.169.80000111.9N5 D6 V7S3-N5 VanDerWaalsContact C-N 3.25Å; S3-N5 PolarHBondContact O-N 2.89Å; S3-D6 WeakPolarHBondContact CB-OD2 3.21Å; S3-D6 PolarHBondContact N-OD2 2.68Å; S3-D6 WeakPolarHBondContact O-CB 3.41Å; S3-D6 PolarHBondContact O-N 2.86Å; S3-D6 VanDerWaalsContact OG-CG 3.23Å; S3-D6 PolarHBondContact OG-N 2.73Å; S3-D6 PolarHBondContact OG-OD2 3.25Å; S3-V7 PolarHBondContact O-N 3.16Å; S3-V7 VanDerWaalsContact O-N 3.11Å
4E98.3Very high96.6Very high154 Ų15485.6 Ų85.672%0.7244%0.437SS*.Hα-helixtrans-58-39.6173.3-174.4-179.8177.500111.9D6 V7 I8E4-D6 VanDerWaalsContact C-N 3.25Å; E4-D6 PolarHBondContact O-N 3.22Å; E4-V7 PolarHBondContact O-N 3.44Å; E4-V7 VanDerWaalsContact O-N 3.12Å; E4-I8 HydrophobicContact CG-CD1 4Å; E4-I8 HydrophobicContact CG-CG1 4.44Å; E4-I8 WeakPolarHBondContact O-CG1 3.36Å; E4-I8 PolarHBondContact O-N 3.38Å
5N98.1Very high96.7Very high123 Ų12384.6 Ų84.666%0.65843%0.432SS*.Hα-helixtrans-61.4-34.5175.4-74.7-28.5000112.5S3 R9S3-N5 VanDerWaalsContact C-N 3.25Å; S3-N5 PolarHBondContact O-N 2.89Å; N5-R9 WeakPolarHBondContact O-CB 3.28Å; N5-R9 PolarHBondContact O-N 3.48Å; N5-R9 VanDerWaalsContact O-N 3.1Å
6D97.9Very high96.9Very high39 Ų3985.8 Ų85.821%0.20944%0.436CS..Hα-helixtrans-65.6-47.5173.5-63.5-51.6000110.4V2 S3 E4 I8 R9 L10 L44V2-D6 HydrophobicContact CG1-CB 3.71Å; S3-D6 WeakPolarHBondContact CB-OD2 3.21Å; S3-D6 PolarHBondContact N-OD2 2.68Å; S3-D6 WeakPolarHBondContact O-CB 3.41Å; S3-D6 PolarHBondContact O-N 2.86Å; S3-D6 VanDerWaalsContact OG-CG 3.23Å; S3-D6 PolarHBondContact OG-N 2.73Å; S3-D6 PolarHBondContact OG-OD2 3.25Å; E4-D6 VanDerWaalsContact C-N 3.25Å; E4-D6 PolarHBondContact O-N 3.22Å; D6-I8 PolarHBondContact O-N 3.21Å; D6-R9 PolarHBondContact O-N 2.75Å; D6-L10 VanDerWaalsContact O-CG 3.26Å; D6-L10 WeakPolarHBondContact O-CG 3.28Å; D6-L10 PolarHBondContact O-N 3.11Å; D6-L44 HydrophobicContact CB-CD2 3.65Å
7V98Very high97Very high72 Ų7282.1 Ų82.144%0.43642%0.424SS..Hα-helixtrans-60.6-46.5179-179.50000111.2V2 S3 E4 R9 L10 I11V2-V7 HydrophobicContact CG1-CG2 3.91Å; S3-V7 PolarHBondContact O-N 3.16Å; S3-V7 VanDerWaalsContact O-N 3.11Å; E4-V7 PolarHBondContact O-N 3.44Å; E4-V7 VanDerWaalsContact O-N 3.12Å; V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 PolarHBondContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.35Å; V7-I11 HydrophobicContact CG1-CG1 4.08Å; V7-I11 WeakPolarHBondContact O-CB 3.43Å; V7-I11 WeakPolarHBondContact O-CG1 3.15Å; V7-I11 PolarHBondContact O-N 3.28Å
8I98.5Very high97.1Very high95 Ų9577.7 Ų77.749%0.48740%0.401SS..Hα-helixtrans-55.5-46.4176.2-69.7166.9000110.4E4 D6 K12E4-I8 HydrophobicContact CG-CD1 4Å; E4-I8 HydrophobicContact CG-CG1 4.44Å; E4-I8 WeakPolarHBondContact O-CG1 3.36Å; E4-I8 PolarHBondContact O-N 3.38Å; D6-I8 PolarHBondContact O-N 3.21Å; I8-K12 VanDerWaalsContact O-CB 3.23Å; I8-K12 WeakPolarHBondContact O-CB 3.31Å; I8-K12 PolarHBondContact O-N 3.5Å
9R98.5Very high97.2Very high69 Ų6979.4 Ų79.426%0.2641%0.407SS..Hα-helixtrans-64-45.1179.1-176.2-178.863.179.6-0.8111.9N5 D6 V7 K12 Q13 L44 G45 D46N5-R9 WeakPolarHBondContact O-CB 3.28Å; N5-R9 PolarHBondContact O-N 3.48Å; N5-R9 VanDerWaalsContact O-N 3.1Å; D6-R9 PolarHBondContact O-N 2.75Å; V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 PolarHBondContact O-N 3.15Å; R9-K12 PolarHBondContact O-N 2.92Å; R9-Q13 WeakPolarHBondContact O-CG 3.49Å; R9-Q13 PolarHBondContact O-N 2.91Å; R9-Q13 VanDerWaalsContact O-N 3.1Å; R9-L44 PolarHBondContact NH2-O 3.21Å; R9-G45 PolarHBondContact NH1-O 2.86Å; R9-G45 PolarHBondContact NH2-O 2.87Å; R9-D46 IonicContact NH1-OD1 3.48Å; R9-D46 PolarHBondContact NH1-OD1 3.32Å
10L98.6Very high97.2Very high31 Ų3182.7 Ų82.716%0.16242%0.415CS..Hα-helixtrans-66.5-47-179-64.1177.2000111.6D6 V7 K12 Q13 I14 L38 L44 I47D6-L10 VanDerWaalsContact O-CG 3.26Å; D6-L10 WeakPolarHBondContact O-CG 3.28Å; D6-L10 PolarHBondContact O-N 3.11Å; V7-L10 PolarHBondContact O-N 3.35Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.28Å; L10-Q13 PolarHBondContact O-N 3.36Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 3.01Å; L10-L38 HydrophobicContact CD2-CD2 3.73Å; L10-L44 HydrophobicContact CD1-CD2 4.28Å; L10-I47 HydrophobicContact CB-CG2 4.13Å; L10-I47 HydrophobicContact CD2-CG2 3.48Å; L10-I47 VanDerWaalsContact CD2-CG2 3.48Å; L10-I47 HydrophobicContact CG-CG2 4.35Å
11I98.6Very high97.3Very high66 Ų6679.5 Ų79.534%0.33840%0.399SS..Hα-helixtrans-61.7-41.5177-67.7-66.8000111V7 Q13 I14 L15V7-I11 HydrophobicContact CG1-CG1 4.08Å; V7-I11 WeakPolarHBondContact O-CB 3.43Å; V7-I11 WeakPolarHBondContact O-CG1 3.15Å; V7-I11 PolarHBondContact O-N 3.28Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-Q13 PolarHBondContact O-N 3.35Å; I11-I14 HydrophobicContact CD1-CD1 4.21Å; I11-I14 PolarHBondContact O-N 3.35Å; I11-L15 HydrophobicContact CG2-CD1 3.89Å; I11-L15 HydrophobicContact CG2-CG 4.39Å; I11-L15 WeakPolarHBondContact O-CB 3.37Å; I11-L15 WeakPolarHBondContact O-CG 3.46Å; I11-L15 PolarHBondContact O-N 3.35Å
12K98.8Very high98.2Very high123 Ų12370.2 Ų70.254%0.53535%0.353SS..Hα-helixtrans-57.8-46.2174.6-178.8178.1174.9-176.60111.7I8 R9 L10 L15 E16I8-K12 VanDerWaalsContact O-CB 3.23Å; I8-K12 WeakPolarHBondContact O-CB 3.31Å; I8-K12 PolarHBondContact O-N 3.5Å; R9-K12 PolarHBondContact O-N 2.92Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.28Å; K12-L15 PolarHBondContact O-N 2.7Å; K12-E16 WeakPolarHBondContact CE-OE1 3.41Å; K12-E16 VanDerWaalsContact O-CG 3.32Å; K12-E16 WeakPolarHBondContact O-CG 3.41Å; K12-E16 PolarHBondContact O-N 3.35Å
13Q98.8Very high98.4Very high37 Ų3771.7 Ų71.717%0.17335%0.354CS..Hα-helixtrans-67.6-35.4178.8-70.4-177.7-6.900112.8R9 L10 I11 E16 G17 D46 I47R9-Q13 WeakPolarHBondContact O-CG 3.49Å; R9-Q13 PolarHBondContact O-N 2.91Å; R9-Q13 VanDerWaalsContact O-N 3.1Å; L10-Q13 PolarHBondContact O-N 3.36Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-Q13 PolarHBondContact O-N 3.35Å; Q13-E16 PolarHBondContact O-N 3.38Å; Q13-G17 PolarHBondContact O-N 3.36Å; Q13-D46 PolarHBondContact NE2-OD1 2.88Å; Q13-D46 VanDerWaalsContact OE1-CA 3.3Å; Q13-I47 HydrophobicContact CB-CD1 4.16Å; Q13-I47 HydrophobicContact CB-CG1 3.34Å; Q13-I47 HydrophobicContact CG-CG1 4.49Å
14I98.8Very high98.4Very high14 Ų1472.5 Ų72.57%0.07235%0.354CS..Hα-helixtrans-60.8-48.7172.5-66.6160.2000109.7L10 I11 E16 G17 V18 I36 I47 I93L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 3.01Å; I11-I14 HydrophobicContact CD1-CD1 4.21Å; I11-I14 PolarHBondContact O-N 3.35Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.4Å; I14-G17 PolarHBondContact O-N 2.98Å; I14-V18 HydrophobicContact CG2-CG2 4.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.24Å; I14-V18 PolarHBondContact O-N 3.49Å; I14-I36 HydrophobicContact CD1-CD1 3.68Å; I14-I36 HydrophobicContact CD1-CG2 4.08Å; I14-I36 HydrophobicContact CG1-CD1 4.05Å; I14-I36 HydrophobicContact CG1-CG2 4.05Å; I14-I36 HydrophobicContact CG2-CD1 4.43Å; I14-I47 HydrophobicContact CG1-CD1 4.11Å; I14-I47 HydrophobicContact CG1-CG1 4.13Å; I14-I47 HydrophobicContact CG1-CG2 4.42Å; I14-I93 HydrophobicContact CG2-CD1 4.19Å; I14-I93 HydrophobicContact CG2-CG1 4.03Å
15L98.9Very high98.3Very high71 Ų7169 Ų6937%0.37234%0.34SS..Hα-helixtrans-60.9-39.8177.3-73.3166.5000112.3I11 K12 V18 H19 M90 I93I11-L15 HydrophobicContact CG2-CD1 3.89Å; I11-L15 HydrophobicContact CG2-CG 4.39Å; I11-L15 WeakPolarHBondContact O-CB 3.37Å; I11-L15 WeakPolarHBondContact O-CG 3.46Å; I11-L15 PolarHBondContact O-N 3.35Å; K12-L15 PolarHBondContact O-N 2.7Å; L15-V18 PolarHBondContact O-N 3.4Å; L15-H19 WeakPolarHBondContact O-CB 3.36Å; L15-H19 PolarHBondContact O-N 3.05Å; L15-M90 HydrophobicContact CD2-CE 3.8Å; L15-I93 HydrophobicContact CD2-CD1 3.89Å; L15-I93 HydrophobicContact CD2-CG2 4.28Å
16E98.9Very high98.2Very high104 Ų10465.6 Ų65.649%0.48632%0.321SS..Hα-helixtrans-61.7-44.2174.6-74.3167.4171.300111.6K12 Q13 I14 Y20K12-E16 WeakPolarHBondContact CE-OE1 3.41Å; K12-E16 VanDerWaalsContact O-CG 3.32Å; K12-E16 WeakPolarHBondContact O-CG 3.41Å; K12-E16 PolarHBondContact O-N 3.35Å; Q13-E16 PolarHBondContact O-N 3.38Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.4Å; E16-Y20 PolarHBondContact O-N 3.3Å; E16-Y20 VanDerWaalsContact O-N 3.09Å
17G98.8Very high98.2Very high23 Ų2363.8 Ų63.824%0.23731%0.312CS..Hα-helixtrans-64.3-47.617600000112.6Q13 I14 Y20 L21Q13-G17 PolarHBondContact O-N 3.36Å; I14-G17 PolarHBondContact O-N 2.98Å; G17-Y20 WeakPolarHBondContact O-CB 3.31Å; G17-Y20 PolarHBondContact O-N 3.25Å; G17-L21 WeakPolarHBondContact O-CG 3.35Å; G17-L21 PolarHBondContact O-N 3.22Å
18V98.8Very high98.2Very high2 Ų260.3 Ų60.31%0.01229%0.291CS..Hα-helixtrans-66.2-40.1179.2172.70000111.4I14 L15 Y20 L21 H22 L31 I49 D89 M90 I93I14-V18 HydrophobicContact CG2-CG2 4.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.24Å; I14-V18 PolarHBondContact O-N 3.49Å; L15-V18 PolarHBondContact O-N 3.4Å; V18-Y20 VanDerWaalsContact C-N 3.3Å; V18-Y20 PolarHBondContact O-N 2.91Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.21Å; V18-L21 VanDerWaalsContact O-N 3.13Å; V18-H22 WeakPolarHBondContact CG1-CE1 3.31Å; V18-H22 WeakPolarHBondContact CG1-NE2 3.27Å; V18-H22 WeakPolarHBondContact O-CB 3.45Å; V18-H22 PolarHBondContact O-CD2 3.4Å; V18-H22 VanDerWaalsContact O-CG 3.28Å; V18-H22 PolarHBondContact O-N 3.03Å; V18-L31 HydrophobicContact CG2-CD1 3.62Å; V18-I49 HydrophobicContact CG2-CD1 3.91Å; V18-D89 HydrophobicContact CG1-CB 4.15Å; V18-M90 HydrophobicContact CG1-SD 4.35Å; V18-I93 HydrophobicContact CB-CD1 4.15Å; V18-I93 HydrophobicContact CG1-CD1 4.11Å; V18-I93 HydrophobicContact CG2-CD1 3.97Å
19H98.8Very high98.1Very high110 Ų11056 Ų5651%0.50927%0.268SS..Hα-helixtrans-57.1-44.9172.9-179.466.2000111.6L15 L21 H22 Q23L15-H19 WeakPolarHBondContact O-CB 3.36Å; L15-H19 PolarHBondContact O-N 3.05Å; H19-L21 PolarHBondContact O-N 3.44Å; H19-H22 PolarHBondContact O-N 3.32Å; H19-Q23 PolarHBondContact NE2-NE2 3.23Å; H19-Q23 WeakPolarHBondContact O-CG 3.34Å; H19-Q23 PolarHBondContact O-N 3.26Å
20Y98.8Very high98Very high146 Ų14653.2 Ų53.257%0.57326%0.259SS*.Hα-helixtrans-60.8-43.2175.3175.6-92000112.3E16 G17 V18 Q23 N24E16-Y20 PolarHBondContact O-N 3.3Å; E16-Y20 VanDerWaalsContact O-N 3.09Å; G17-Y20 WeakPolarHBondContact O-CB 3.31Å; G17-Y20 PolarHBondContact O-N 3.25Å; V18-Y20 VanDerWaalsContact C-N 3.3Å; V18-Y20 PolarHBondContact O-N 2.91Å; Y20-Q23 PolarHBondContact O-N 3.33Å; Y20-N24 PolarHBondContact O-N 3.21Å; Y20-N24 PolarHBondContact O-ND2 2.78Å
21L98.5Very high98Very high15 Ų1552 Ų528%0.07925%0.252CS..Hα-helixtrans-60.5-47.5175.7-63.9178.1000111.3G17 V18 H19 Q23 N24 N25 I26 H28 F52G17-L21 WeakPolarHBondContact O-CG 3.35Å; G17-L21 PolarHBondContact O-N 3.22Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.21Å; V18-L21 VanDerWaalsContact O-N 3.13Å; H19-L21 PolarHBondContact O-N 3.44Å; L21-Q23 PolarHBondContact O-N 3.41Å; L21-N24 CarbonylContact O-C 3.4Å; L21-N24 WeakPolarHBondContact O-CA 2.99Å; L21-N24 PolarHBondContact O-N 2.75Å; L21-N25 PolarHBondContact O-N 3.26Å; L21-I26 CarbonylContact C-O 3.58Å; L21-I26 VanDerWaalsContact C-O 3.31Å; L21-I26 HydrophobicContact CB-CB 4.3Å; L21-I26 HydrophobicContact CD2-CG2 4.34Å; L21-I26 PolarHBondContact O-N 3.43Å; L21-H28 HydrophobicContact CD1-CB 4.3Å; L21-F52 HydrophobicContact CD1-CE1 3.72Å; L21-F52 HydrophobicContact CD1-CZ 4.25Å; L21-F52 HydrophobicContact CD2-CE1 3.62Å; L21-F52 HydrophobicContact CD2-CZ 4.15Å; L21-F52 HydrophobicContact CG-CE1 4.32Å
22H97.8Very high98Very high32 Ų3250.5 Ų50.515%0.14824%0.243CC..Hα-helixtrans-64.2-38.1-178.4-68.2-178000112.1V18 H19 N24 N25 I26 T86 D89V18-H22 WeakPolarHBondContact CG1-CE1 3.31Å; V18-H22 WeakPolarHBondContact CG1-NE2 3.27Å; V18-H22 WeakPolarHBondContact O-CB 3.45Å; V18-H22 PolarHBondContact O-CD2 3.4Å; V18-H22 VanDerWaalsContact O-CG 3.28Å; V18-H22 PolarHBondContact O-N 3.03Å; H19-H22 PolarHBondContact O-N 3.32Å; H22-N24 PolarHBondContact O-N 3.43Å; H22-N25 PolarHBondContact O-N 3.34Å; H22-I26 PolarHBondContact CD2-O 3.16Å; H22-T86 HydrophobicContact CB-CG2 3.93Å; H22-T86 PolarHBondContact CE1-O 3.46Å; H22-T86 VanDerWaalsContact CE1-O 3.23Å; H22-D89 IonicContact CD2-OD2 3.09Å; H22-D89 IonicContact CE1-OD2 2.73Å; H22-D89 IonicContact NE2-OD2 2.68Å; H22-D89 PolarHBondContact NE2-OD2 3.49Å
23Q97.9Very high97.9Very high127 Ų12748.4 Ų48.459%0.59324%0.242SC*.Hα-helixtrans-61.6-26.9172.2-76.2-170.8-39.400113.2H19 Y20 L21 N25H19-Q23 PolarHBondContact NE2-NE2 3.23Å; H19-Q23 WeakPolarHBondContact O-CG 3.34Å; H19-Q23 PolarHBondContact O-N 3.26Å; Y20-Q23 PolarHBondContact O-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.41Å; Q23-N25 VanDerWaalsContact C-N 3.31Å
24N96.9Very high97.8Very high70 Ų7051.9 Ų51.937%0.37426%0.259SS..THydrogen-bonded Turntrans-9311175.6-72.6-82.9000112.9Y20 L21 H22 I26Y20-N24 PolarHBondContact O-N 3.21Å; Y20-N24 PolarHBondContact O-ND2 2.78Å; L21-N24 CarbonylContact O-C 3.4Å; L21-N24 WeakPolarHBondContact O-CA 2.99Å; L21-N24 PolarHBondContact O-N 2.75Å; H22-N24 PolarHBondContact O-N 3.43Å; N24-I26 VanDerWaalsContact C-N 3.25Å; N24-I26 HydrophobicContact CB-CD1 4.2Å; N24-I26 HydrophobicContact CB-CG1 4.45Å; N24-I26 PolarHBondContact O-N 3.44Å
25N95.1Very high97.8Very high79 Ų7951.8 Ų51.842%0.42226%0.258SS..THydrogen-bonded Turntrans58.832.6-176.3-55.4-79.3000113.3L21 H22 Q23 K57 I58L21-N25 PolarHBondContact O-N 3.26Å; H22-N25 PolarHBondContact O-N 3.34Å; Q23-N25 VanDerWaalsContact C-N 3.31Å; N25-K57 HydrophobicContact CB-CG 4.27Å; N25-K57 CarbonylContact O-C 3.41Å; N25-K57 WeakPolarHBondContact O-CA 3.11Å; N25-K57 WeakPolarHBondContact O-CG 3.37Å; N25-I58 HydrophobicContact CB-CG1 4.09Å; N25-I58 WeakPolarHBondContact CB-O 3.43Å; N25-I58 WeakPolarHBondContact O-CG1 3.37Å; N25-I58 PolarHBondContact O-N 2.9Å
26I96.9Very high97.8Very high53 Ų5350.4 Ų50.427%0.27225%0.251SS..EExtended strand (participates in β ladder)trans-107.7129.1177.3-63168.2000108.4L21 H22 N24 R56L21-I26 CarbonylContact C-O 3.58Å; L21-I26 VanDerWaalsContact C-O 3.31Å; L21-I26 HydrophobicContact CB-CB 4.3Å; L21-I26 HydrophobicContact CD2-CG2 4.34Å; L21-I26 PolarHBondContact O-N 3.43Å; H22-I26 PolarHBondContact CD2-O 3.16Å; N24-I26 VanDerWaalsContact C-N 3.25Å; N24-I26 HydrophobicContact CB-CD1 4.2Å; N24-I26 HydrophobicContact CB-CG1 4.45Å; N24-I26 PolarHBondContact O-N 3.44Å; I26-R56 WeakPolarHBondContact CA-O 3.4Å
27V97Very high97.8Very high0 Ų049.8 Ų49.80%025%0.25CS..EExtended strand (participates in β ladder)trans-106.7135.2168.1-168.10000107.8L29 S55 R56 I58 T86 D89V27-L29 HydrophobicContact CB-CD1 4.46Å; V27-L29 HydrophobicContact CB-CD2 4.25Å; V27-L29 HydrophobicContact CB-CG 4.07Å; V27-L29 HydrophobicContact CG1-CD2 3.54Å; V27-L29 HydrophobicContact CG1-CG 3.73Å; V27-S55 CarbonylContact O-C 3.31Å; V27-S55 WeakPolarHBondContact O-CA 3.4Å; V27-S55 WeakPolarHBondContact O-CB 3.23Å; V27-R56 PolarHBondContact N-O 3.14Å; V27-R56 PolarHBondContact O-N 3.25Å; V27-I58 HydrophobicContact CG2-CB 4.39Å; V27-I58 HydrophobicContact CG2-CD1 3.71Å; V27-I58 HydrophobicContact CG2-CG1 3.96Å; V27-I58 HydrophobicContact CG2-CG2 3.54Å; V27-T86 HydrophobicContact CG2-CG2 4.26Å; V27-D89 WeakPolarHBondContact CA-OD2 3.3Å; V27-D89 HydrophobicContact CG1-CB 4.45Å; V27-D89 VanDerWaalsContact CG1-CG 3.47Å; V27-D89 WeakPolarHBondContact CG1-OD1 3.37Å; V27-D89 VanDerWaalsContact CG1-OD2 3.31Å; V27-D89 WeakPolarHBondContact CG1-OD2 3.49Å
28H98.1Very high97.7Very high0 Ų051.9 Ų51.90%026%0.256CS..  trans-78.4-42.6-175-172-78.1000112.7L21 D30 L31 V50 D51 F52 D89L21-H28 HydrophobicContact CD1-CB 4.3Å; H28-D30 VanDerWaalsContact ND1-C 3.35Å; H28-D30 PolarHBondContact ND1-N 3.26Å; H28-D30 PolarHBondContact O-N 2.97Å; H28-L31 HydrophobicContact CB-CD1 4.3Å; H28-L31 HydrophobicContact CB-CD2 4.26Å; H28-L31 HydrophobicContact CB-CG 3.86Å; H28-L31 PolarHBondContact ND1-N 2.86Å; H28-V50 PolarHBondContact CE1-O 3.35Å; H28-V50 PolarHBondContact NE2-O 2.9Å; H28-D51 PolarHBondContact CE1-O 2.93Å; H28-D51 PolarHBondContact NE2-O 3.42Å; H28-F52 AromaticContact CD2-CD1 3.83Å; H28-F52 AromaticContact CD2-CE1 3.67Å; H28-D89 WeakPolarHBondContact CB-OD1 3.46Å; H28-D89 PolarHBondContact N-OD1 3.47Å; H28-D89 VanDerWaalsContact N-OD1 3.13Å; H28-D89 PolarHBondContact N-OD2 2.86Å
29L97Very high97.7Very high3 Ų355.4 Ų55.42%0.01628%0.281CS..SBendtrans68.3-6.4172.1-58.2163.6000117.3V27 M54 R56 M68 I84 T88 D89V27-L29 HydrophobicContact CB-CD1 4.46Å; V27-L29 HydrophobicContact CB-CD2 4.25Å; V27-L29 HydrophobicContact CB-CG 4.07Å; V27-L29 HydrophobicContact CG1-CD2 3.54Å; V27-L29 HydrophobicContact CG1-CG 3.73Å; L29-M54 HydrophobicContact CB-CB 4.29Å; L29-M54 VanDerWaalsContact CD1-O 3.27Å; L29-M54 WeakPolarHBondContact CD1-O 3.32Å; L29-R56 HydrophobicContact CD1-CB 3.74Å; L29-R56 HydrophobicContact CD1-CG 3.48Å; L29-R56 VanDerWaalsContact CD1-CG 3.48Å; L29-M68 HydrophobicContact CB-CE 4.48Å; L29-M68 HydrophobicContact CB-SD 4.42Å; L29-M68 HydrophobicContact CD1-CE 3.34Å; L29-M68 HydrophobicContact CD1-SD 4.14Å; L29-M68 HydrophobicContact CG-CE 4.33Å; L29-I84 HydrophobicContact CD1-CG2 4.41Å; L29-I84 HydrophobicContact CD2-CD1 4.25Å; L29-I84 HydrophobicContact CD2-CG2 3.44Å; L29-I84 VanDerWaalsContact CD2-CG2 3.44Å; L29-I84 HydrophobicContact CG-CG2 4.48Å; L29-T88 HydrophobicContact CD2-CG2 3.85Å; L29-D89 PolarHBondContact N-OD1 3.32Å
30D97.3Very high97.7Very high12 Ų1252.4 Ų52.46%0.06427%0.272CS..  trans-137.344.6170-163.644.4000111.1H28 K32 N35 M54 T70H28-D30 VanDerWaalsContact ND1-C 3.35Å; H28-D30 PolarHBondContact ND1-N 3.26Å; H28-D30 PolarHBondContact O-N 2.97Å; D30-K32 PolarHBondContact O-N 3.39Å; D30-K32 IonicContact OD1-NZ 3.38Å; D30-K32 PolarHBondContact OD1-NZ 3.3Å; D30-K32 WeakPolarHBondContact OD2-CE 3.47Å; D30-K32 IonicContact OD2-NZ 2.71Å; D30-K32 PolarHBondContact OD2-NZ 3.49Å; D30-N35 PolarHBondContact O-ND2 3.3Å; D30-N35 PolarHBondContact OD2-ND2 3.13Å; D30-N35 VanDerWaalsContact OD2-ND2 3.09Å; D30-M54 HydrophobicContact CB-CB 4.19Å; D30-M54 HydrophobicContact CB-CG 4.16Å; D30-T70 PolarHBondContact OD1-N 2.9Å; D30-T70 PolarHBondContact OD1-OG1 2.8Å
31L98.1Very high97.5Very high4 Ų451.1 Ų51.12%0.02127%0.274CS..  trans-70.8115.1171.3-76.7172.7000109.1V18 H28 I49 D89 N92 I93V18-L31 HydrophobicContact CG2-CD1 3.62Å; H28-L31 HydrophobicContact CB-CD1 4.3Å; H28-L31 HydrophobicContact CB-CD2 4.26Å; H28-L31 HydrophobicContact CB-CG 3.86Å; H28-L31 PolarHBondContact ND1-N 2.86Å; L31-I49 HydrophobicContact CD2-CG2 3.95Å; L31-D89 HydrophobicContact CD1-CB 3.72Å; L31-N92 HydrophobicContact CB-CB 3.62Å; L31-N92 VanDerWaalsContact O-CB 3.31Å; L31-N92 WeakPolarHBondContact O-CB 3.45Å; L31-I93 HydrophobicContact CD1-CG1 4.36Å
32K97.1Very high97.2Very high35 Ų3559.7 Ų59.715%0.15231%0.307CS..  trans-151.5160177.862.9-168.9-175.8-149.90108.7D30 Q34 N35 T70 Y73D30-K32 PolarHBondContact O-N 3.39Å; D30-K32 IonicContact OD1-NZ 3.38Å; D30-K32 PolarHBondContact OD1-NZ 3.3Å; D30-K32 WeakPolarHBondContact OD2-CE 3.47Å; D30-K32 IonicContact OD2-NZ 2.71Å; D30-K32 PolarHBondContact OD2-NZ 3.49Å; K32-Q34 HydrophobicContact CG-CB 4.24Å; K32-Q34 VanDerWaalsContact CG-OE1 3.26Å; K32-Q34 PolarHBondContact O-N 3.42Å; K32-N35 HydrophobicContact CG-CB 4.22Å; K32-N35 PolarHBondContact O-N 3.32Å; K32-T70 HydrophobicContact CD-CG2 4.44Å; K32-T70 VanDerWaalsContact CD-OG1 3.27Å; K32-T70 WeakPolarHBondContact CD-OG1 3.12Å; K32-T70 PolarHBondContact NZ-OG1 3.28Å; K32-Y73 HydrophobicContact CB-CD1 4.27Å; K32-Y73 HydrophobicContact CB-CD2 3.92Å; K32-Y73 HydrophobicContact CB-CE1 4.22Å; K32-Y73 HydrophobicContact CB-CE2 3.87Å; K32-Y73 HydrophobicContact CB-CG 4.14Å
33P97.1Very high97Very high79 Ų7963.6 Ų63.651%0.51333%0.334SS..G310 helixtrans-52.4-33.1-178-2936.4000114.2N35 I36 Y73P33-N35 PolarHBondContact O-N 2.88Å; P33-I36 PolarHBondContact O-N 3.04Å; P33-Y73 WeakPolarHBondContact CD-OH 3.43Å; P33-Y73 HydrophobicContact CG-CE1 4.47Å
34Q97.8Very high96.9Very high111 Ų11160 Ų6052%0.51932%0.319SS..G310 helixtrans-66.1-24.3178.1-60.180.52.500113.5K32K32-Q34 HydrophobicContact CG-CB 4.24Å; K32-Q34 VanDerWaalsContact CG-OE1 3.26Å; K32-Q34 PolarHBondContact O-N 3.42Å
35N98.5Very high97Very high12 Ų1257.2 Ų57.26%0.06431%0.307CS..G310 helixtrans-99.511.9180-70.8-9.8000112.7D30 K32 P33 V50D30-N35 PolarHBondContact O-ND2 3.3Å; D30-N35 PolarHBondContact OD2-ND2 3.13Å; D30-N35 VanDerWaalsContact OD2-ND2 3.09Å; K32-N35 HydrophobicContact CG-CB 4.22Å; K32-N35 PolarHBondContact O-N 3.32Å; P33-N35 PolarHBondContact O-N 2.88Å; N35-V50 HydrophobicContact CB-CG2 4.42Å; N35-V50 WeakPolarHBondContact O-CG2 3.38Å; N35-V50 PolarHBondContact O-N 3.48Å
36I98.4Very high97.1Very high42 Ų4257.1 Ų57.122%0.21531%0.306CS..EExtended strand (participates in β ladder)trans-120.698174.9-53.5177000108.1I14 P33 I47I14-I36 HydrophobicContact CD1-CD1 3.68Å; I14-I36 HydrophobicContact CD1-CG2 4.08Å; I14-I36 HydrophobicContact CG1-CD1 4.05Å; I14-I36 HydrophobicContact CG1-CG2 4.05Å; I14-I36 HydrophobicContact CG2-CD1 4.43Å; P33-I36 PolarHBondContact O-N 3.04Å; I36-I47 HydrophobicContact CG2-CB 3.95Å; I36-I47 HydrophobicContact CG2-CG2 4.08Å
37L98.5Very high97.2Very high90 Ų9055.4 Ų55.447%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-91.8159.5-177.6-54.6-171.5000111.5I47 K48 V50L37-I47 CarbonylContact O-C 3.39Å; L37-I47 VanDerWaalsContact O-CA 3.23Å; L37-I47 WeakPolarHBondContact O-CA 3.45Å; L37-K48 PolarHBondContact N-O 3.21Å; L37-K48 PolarHBondContact O-N 2.99Å; L37-V50 HydrophobicContact CD1-CG1 3.89Å; L37-V50 HydrophobicContact CD1-CG2 4Å; L37-V50 HydrophobicContact CD2-CG2 4.45Å; L37-V50 HydrophobicContact CG-CG1 4.08Å; L37-V50 HydrophobicContact CG-CG2 3.81Å
38L98.4Very high97.3Very high67 Ų6761.1 Ų61.135%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-108.3140173.5-68.8164.6000110.3L10 S40 L44 D46 I47L10-L38 HydrophobicContact CD2-CD2 3.73Å; L38-S40 PolarHBondContact O-N 3.38Å; L38-L44 HydrophobicContact CD1-CD1 3.64Å; L38-L44 HydrophobicContact CD2-CD1 4.1Å; L38-L44 HydrophobicContact CG-CD1 4.5Å; L38-D46 WeakPolarHBondContact CA-O 3.38Å; L38-I47 HydrophobicContact CD2-CG2 4.25Å
39S98.2Very high97.3Very high77 Ų7762.5 Ų62.554%0.53833%0.329SS..SBendtrans-66.8-24.9173.863.50000113.4G45 D46S39-G45 WeakPolarHBondContact OG-CA 3.33Å; S39-D46 PolarHBondContact N-O 3.12Å; S39-D46 PolarHBondContact OG-N 3.47Å
40S97.6Very high97.4Very high47 Ų4764.5 Ų64.533%0.32934%0.342SS..  trans-158.3152.1171.9-176.70000110.1L38 Y42 P43 G45L38-S40 PolarHBondContact O-N 3.38Å; S40-Y42 PolarHBondContact OG-N 3.24Å; S40-Y42 PolarHBondContact OG-O 3.09Å; S40-P43 CarbonylContact C-O 3.58Å; S40-P43 WeakPolarHBondContact CB-O 3.19Å; S40-P43 PolarHBondContact OG-O 2.92Å; S40-G45 PolarHBondContact O-N 3.41Å
41I94.6Very high97.4Very high118 Ų11868.1 Ų68.161%0.60536%0.361SS*.THydrogen-bonded Turntrans-94.1-28.4171.952.9167.1000112.6P43I41-P43 CarbonylContact C-O 3.48Å; I41-P43 CarbonylContact O-C 3.55Å
42Y93.2Very high97.4Very high196 Ų19672.1 Ų72.177%0.76938%0.378SS*.THydrogen-bonded Turntrans-142.1107.6-179.3-69.2-71.9000110.6S40S40-Y42 PolarHBondContact OG-N 3.24Å; S40-Y42 PolarHBondContact OG-O 3.09Å
43P93.1Very high97.3Very high113 Ų11373.2 Ų73.273%0.73440%0.4SS*.THydrogen-bonded Turncis-63.6163.5-8.931.4-36.3000111.5S40 I41 G45S40-P43 CarbonylContact C-O 3.58Å; S40-P43 WeakPolarHBondContact CB-O 3.19Å; S40-P43 PolarHBondContact OG-O 2.92Å; I41-P43 CarbonylContact C-O 3.48Å; I41-P43 CarbonylContact O-C 3.55Å; P43-G45 PolarHBondContact O-N 3.25Å; P43-G45 VanDerWaalsContact O-N 3.09Å
44L96.5Very high97.2Very high52 Ų5273.1 Ų73.127%0.27239%0.393SS..THydrogen-bonded Turntrans-61.7113.9177.5-174.767.8000110D6 R9 L10 L38D6-L44 HydrophobicContact CB-CD2 3.65Å; R9-L44 PolarHBondContact NH2-O 3.21Å; L10-L44 HydrophobicContact CD1-CD2 4.28Å; L38-L44 HydrophobicContact CD1-CD1 3.64Å; L38-L44 HydrophobicContact CD2-CD1 4.1Å; L38-L44 HydrophobicContact CG-CD1 4.5Å
45G97.6Very high97.1Very high11 Ų1169.4 Ų69.411%0.11338%0.38CS..  trans-81.7-161-175.400000114.2R9 S39 S40 P43R9-G45 PolarHBondContact NH1-O 2.86Å; R9-G45 PolarHBondContact NH2-O 2.87Å; S39-G45 WeakPolarHBondContact OG-CA 3.33Å; S40-G45 PolarHBondContact O-N 3.41Å; P43-G45 PolarHBondContact O-N 3.25Å; P43-G45 VanDerWaalsContact O-N 3.09Å
46D98.4Very high96.9Very high77 Ų7772.4 Ų72.441%0.41239%0.39SS..  trans-93.5152.7177.8-64.3-36.8000111R9 Q13 L38 S39R9-D46 IonicContact NH1-OD1 3.48Å; R9-D46 PolarHBondContact NH1-OD1 3.32Å; Q13-D46 PolarHBondContact NE2-OD1 2.88Å; Q13-D46 VanDerWaalsContact OE1-CA 3.3Å; L38-D46 WeakPolarHBondContact CA-O 3.38Å; S39-D46 PolarHBondContact N-O 3.12Å; S39-D46 PolarHBondContact OG-N 3.47Å
47I98.4Very high96.6Very high17 Ų1777.1 Ų77.19%0.08741%0.409CS..EExtended strand (participates in β ladder)trans-74.6153.6176.970.193.3000111.7L10 Q13 I14 I36 L37 L38 I49L10-I47 HydrophobicContact CB-CG2 4.13Å; L10-I47 HydrophobicContact CD2-CG2 3.48Å; L10-I47 VanDerWaalsContact CD2-CG2 3.48Å; L10-I47 HydrophobicContact CG-CG2 4.35Å; Q13-I47 HydrophobicContact CB-CD1 4.16Å; Q13-I47 HydrophobicContact CB-CG1 3.34Å; Q13-I47 HydrophobicContact CG-CG1 4.49Å; I14-I47 HydrophobicContact CG1-CD1 4.11Å; I14-I47 HydrophobicContact CG1-CG1 4.13Å; I14-I47 HydrophobicContact CG1-CG2 4.42Å; I36-I47 HydrophobicContact CG2-CB 3.95Å; I36-I47 HydrophobicContact CG2-CG2 4.08Å; L37-I47 CarbonylContact O-C 3.39Å; L37-I47 VanDerWaalsContact O-CA 3.23Å; L37-I47 WeakPolarHBondContact O-CA 3.45Å; L38-I47 HydrophobicContact CD2-CG2 4.25Å; I47-I49 HydrophobicContact CD1-CG1 4.07Å
48K98.5Very high96.1Very high121 Ų12174.6 Ų74.653%0.52640%0.396SS..EExtended strand (participates in β ladder)trans-136.5120.2167.3-60.6-65.1169.9-164.70108.7L37L37-K48 PolarHBondContact N-O 3.21Å; L37-K48 PolarHBondContact O-N 2.99Å
49I98.8Very high95.2Very high28 Ų2875 Ų7514%0.14442%0.416CS..EExtended strand (participates in β ladder)trans-74.7131.2170.3-58.7171.4000107.7V18 L31 I47 F52V18-I49 HydrophobicContact CG2-CD1 3.91Å; L31-I49 HydrophobicContact CD2-CG2 3.95Å; I47-I49 HydrophobicContact CD1-CG1 4.07Å; I49-F52 HydrophobicContact CG2-CE2 4.38Å; I49-F52 HydrophobicContact CG2-CZ 3.97Å
50V98.6Very high93.6Very high45 Ų4576.8 Ų76.827%0.27342%0.42SS..  trans-133.8171.7-178.6-59.30000111.2H28 N35 L37H28-V50 PolarHBondContact CE1-O 3.35Å; H28-V50 PolarHBondContact NE2-O 2.9Å; N35-V50 HydrophobicContact CB-CG2 4.42Å; N35-V50 WeakPolarHBondContact O-CG2 3.38Å; N35-V50 PolarHBondContact O-N 3.48Å; L37-V50 HydrophobicContact CD1-CG1 3.89Å; L37-V50 HydrophobicContact CD1-CG2 4Å; L37-V50 HydrophobicContact CD2-CG2 4.45Å; L37-V50 HydrophobicContact CG-CG1 4.08Å; L37-V50 HydrophobicContact CG-CG2 3.81Å
51D97.6Very high91.9Very high89 Ų8980.3 Ų80.348%0.47645%0.452SS..  trans62.473.7177.5-163.1-0.3000114.8H28 G53H28-D51 PolarHBondContact CE1-O 2.93Å; H28-D51 PolarHBondContact NE2-O 3.42Å; D51-G53 PolarHBondContact O-N 3.43Å; D51-G53 PolarHBondContact OD1-N 3.49Å
52F97.7Very high90.8Very high87 Ų8779.1 Ų79.138%0.38245%0.454SS..G310 helixtrans-83.815.9176.9-69.7-94.9000113.2L21 H28 I49 M54 S55L21-F52 HydrophobicContact CD1-CE1 3.72Å; L21-F52 HydrophobicContact CD1-CZ 4.25Å; L21-F52 HydrophobicContact CD2-CE1 3.62Å; L21-F52 HydrophobicContact CD2-CZ 4.15Å; L21-F52 HydrophobicContact CG-CE1 4.32Å; H28-F52 AromaticContact CD2-CD1 3.83Å; H28-F52 AromaticContact CD2-CE1 3.67Å; I49-F52 HydrophobicContact CG2-CE2 4.38Å; I49-F52 HydrophobicContact CG2-CZ 3.97Å; F52-M54 PolarHBondContact O-N 3.25Å; F52-S55 VanDerWaalsContact O-CB 3.3Å; F52-S55 WeakPolarHBondContact O-CB 3.42Å; F52-S55 PolarHBondContact O-N 2.87Å; F52-S55 PolarHBondContact O-OG 3.13Å
53G96.5Very high90.2Very high59 Ų5975.7 Ų75.761%0.60845%0.445SS*.G310 helixtrans-60.3-30.7-175.700000113.9D51D51-G53 PolarHBondContact O-N 3.43Å; D51-G53 PolarHBondContact OD1-N 3.49Å
54M94.5Very high89.9Confident76 Ų7672.3 Ų72.337%0.37442%0.42SS..G310 helixtrans-93.1-4.6176.2-62.9-60.5-178.400113.6L29 D30 F52 R56 M68L29-M54 HydrophobicContact CB-CB 4.29Å; L29-M54 VanDerWaalsContact CD1-O 3.27Å; L29-M54 WeakPolarHBondContact CD1-O 3.32Å; D30-M54 HydrophobicContact CB-CB 4.19Å; D30-M54 HydrophobicContact CB-CG 4.16Å; F52-M54 PolarHBondContact O-N 3.25Å; M54-R56 PolarHBondContact O-NH1 2.99Å; M54-R56 VanDerWaalsContact O-NH1 3.14Å; M54-M68 HydrophobicContact CB-SD 4.14Å; M54-M68 HydrophobicContact SD-CB 4.23Å; M54-M68 HydrophobicContact SD-SD 4.14Å
55S96Very high89.6Confident34 Ų3474.1 Ų74.124%0.23842%0.424CS..  trans-63.8149.5-173.369.60000112.6V27 F52V27-S55 CarbonylContact O-C 3.31Å; V27-S55 WeakPolarHBondContact O-CA 3.4Å; V27-S55 WeakPolarHBondContact O-CB 3.23Å; F52-S55 VanDerWaalsContact O-CB 3.3Å; F52-S55 WeakPolarHBondContact O-CB 3.42Å; F52-S55 PolarHBondContact O-N 2.87Å; F52-S55 PolarHBondContact O-OG 3.13Å
56R94.2Very high89.2Confident74 Ų7477 Ų7728%0.27943%0.434SS..EExtended strand (participates in β ladder)trans-138.8146.3-178.9-64.7-75.4-174-75.7-8.3111I26 V27 L29 M54 L64 E66 M68I26-R56 WeakPolarHBondContact CA-O 3.4Å; V27-R56 PolarHBondContact N-O 3.14Å; V27-R56 PolarHBondContact O-N 3.25Å; L29-R56 HydrophobicContact CD1-CB 3.74Å; L29-R56 HydrophobicContact CD1-CG 3.48Å; L29-R56 VanDerWaalsContact CD1-CG 3.48Å; M54-R56 PolarHBondContact O-NH1 2.99Å; M54-R56 VanDerWaalsContact O-NH1 3.14Å; R56-L64 HydrophobicContact CB-CD2 3.58Å; R56-L64 HydrophobicContact CG-CD2 3.49Å; R56-L64 VanDerWaalsContact CG-CD2 3.49Å; R56-E66 IonicContact CZ-OE2 4Å; R56-E66 IonicContact NE-OE1 2.91Å; R56-E66 IonicContact NE-OE2 3.73Å; R56-E66 IonicContact NH2-OE1 3.8Å; R56-E66 IonicContact NH2-OE2 3.56Å; R56-E66 PolarHBondContact NH2-OE2 2.99Å; R56-M68 HydrophobicContact CG-CE 4.02Å
57K92.8Very high88.9Confident142 Ų14278.9 Ų78.962%0.61744%0.443SS*.EExtended strand (participates in β ladder)trans-87119.9170.6-162.3172.9-174.1174.10109.6N25N25-K57 HydrophobicContact CB-CG 4.27Å; N25-K57 CarbonylContact O-C 3.41Å; N25-K57 WeakPolarHBondContact O-CA 3.11Å; N25-K57 WeakPolarHBondContact O-CG 3.37Å
58I88Confident88.5Confident36 Ų3679 Ų7919%0.18544%0.443CS..  trans-90.7158.1175.352.4167.6000110.4N25 V27 T86N25-I58 HydrophobicContact CB-CG1 4.09Å; N25-I58 WeakPolarHBondContact CB-O 3.43Å; N25-I58 WeakPolarHBondContact O-CG1 3.37Å; N25-I58 PolarHBondContact O-N 2.9Å; V27-I58 HydrophobicContact CG2-CB 4.39Å; V27-I58 HydrophobicContact CG2-CD1 3.71Å; V27-I58 HydrophobicContact CG2-CG1 3.96Å; V27-I58 HydrophobicContact CG2-CG2 3.54Å; I58-T86 HydrophobicContact CD1-CG2 3.36Å
59G77.9Confident88.1Confident76 Ų7674.4 Ų74.478%0.78443%0.431SS*.  trans97.90.4176.600000116.2
60N65.1Low87.8Confident114 Ų11474.4 Ų74.461%0.6143%0.432SS*.SBendtrans-79148.4161.5-67.2-19.5000109S62N60-S62 PolarHBondContact O-N 2.91Å
61A61.3Low87.6Confident121 Ų12177.1 Ų77.1100%145%0.451SS*.SBendtrans-58.41.4-168.500000117.2
62S71.8Confident87.4Confident93 Ų9379 Ų7965%0.6546%0.457SS*.SBendtrans-106.9126.3175.356.10000110.9N60 L64N60-S62 PolarHBondContact O-N 2.91Å; S62-L64 PolarHBondContact O-N 2.87Å
63E81.9Confident87.4Confident124 Ų12476.5 Ų76.558%0.57945%0.445SS*.  trans-62.3120.1169.8-66.2176.2148.200110.1R65 P83E63-R65 IonicContact OE1-NH2 3.57Å; E63-R65 IonicContact OE2-CZ 3.98Å; E63-R65 IonicContact OE2-NH1 3.92Å; E63-R65 PolarHBondContact OE2-NH1 3.38Å; E63-R65 IonicContact OE2-NH2 2.78Å; E63-R65 PolarHBondContact OE2-NH2 3.42Å; E63-P83 HydrophobicContact CB-CB 4.25Å; E63-P83 HydrophobicContact CB-CG 4.26Å; E63-P83 HydrophobicContact CG-CB 4.38Å; E63-P83 HydrophobicContact CG-CG 4.2Å
64L86.1Confident87.3Confident42 Ų4275 Ų7522%0.2242%0.423CS..  trans-80.5123.9175.2-179.476.2000109.5R56 S62 E66 M68 I84R56-L64 HydrophobicContact CB-CD2 3.58Å; R56-L64 HydrophobicContact CG-CD2 3.49Å; R56-L64 VanDerWaalsContact CG-CD2 3.49Å; S62-L64 PolarHBondContact O-N 2.87Å; L64-E66 HydrophobicContact CD1-CG 4.37Å; L64-M68 HydrophobicContact CD2-CE 4.32Å; L64-I84 HydrophobicContact CD2-CB 4.15Å; L64-I84 HydrophobicContact CD2-CD1 3.83Å; L64-I84 HydrophobicContact CD2-CG2 4.18Å; L64-I84 HydrophobicContact CG-CB 4.5Å; L64-I84 HydrophobicContact CG-CD1 4.08Å; L64-I84 PolarHBondContact O-N 2.85Å
65R90.3Very high87.5Confident90 Ų9071.3 Ų71.334%0.3441%0.405SS..  trans-134.7111.1175.8-66.6178.8173.994.10.7109.7E63 Y81E63-R65 IonicContact OE1-NH2 3.57Å; E63-R65 IonicContact OE2-CZ 3.98Å; E63-R65 IonicContact OE2-NH1 3.92Å; E63-R65 PolarHBondContact OE2-NH1 3.38Å; E63-R65 IonicContact OE2-NH2 2.78Å; E63-R65 PolarHBondContact OE2-NH2 3.42Å; R65-Y81 HydrophobicContact CB-CD1 4.22Å; R65-Y81 HydrophobicContact CB-CD2 4.42Å; R65-Y81 HydrophobicContact CB-CE1 3.87Å; R65-Y81 HydrophobicContact CB-CE2 4.08Å; R65-Y81 HydrophobicContact CB-CG 4.48Å; R65-Y81 WeakPolarHBondContact CD-O 3.18Å; R65-Y81 PolarHBondContact NE-O 3.06Å; R65-Y81 PolarHBondContact O-OH 2.95Å
66E88.9Confident87.5Confident73 Ų7372 Ų7234%0.34141%0.409SS..  trans-149.7137-177.5-80.3179.9-154.100109.1R56 L64 M68 I84R56-E66 IonicContact CZ-OE2 4Å; R56-E66 IonicContact NE-OE1 2.91Å; R56-E66 IonicContact NE-OE2 3.73Å; R56-E66 IonicContact NH2-OE1 3.8Å; R56-E66 IonicContact NH2-OE2 3.56Å; R56-E66 PolarHBondContact NH2-OE2 2.99Å; L64-E66 HydrophobicContact CD1-CG 4.37Å; E66-M68 HydrophobicContact CB-CE 3.77Å; E66-M68 HydrophobicContact CB-CG 4.31Å; E66-M68 HydrophobicContact CG-CE 4.48Å; E66-M68 PolarHBondContact O-N 3.14Å; E66-M68 WeakPolarHBondContact OE2-CE 3.44Å; E66-I84 HydrophobicContact CB-CD1 4.38Å
67I92.1Very high87.7Confident116 Ų11670.3 Ų70.360%0.59540%0.403SS*.  trans-88.9100.4169.7-58.3176.6000107.2I78 Y81I67-I78 HydrophobicContact CB-CG2 4.47Å; I67-I78 HydrophobicContact CG2-CG2 4.37Å; I67-Y81 HydrophobicContact CD1-CD2 4.48Å; I67-Y81 HydrophobicContact CG1-CD2 4.17Å
68M90.6Very high87.8Confident18 Ų1863.8 Ų63.89%0.08938%0.376CS..  trans-147.5162.5-178.960.8171.2147.700111L29 M54 R56 L64 E66 L74 I84L29-M68 HydrophobicContact CB-CE 4.48Å; L29-M68 HydrophobicContact CB-SD 4.42Å; L29-M68 HydrophobicContact CD1-CE 3.34Å; L29-M68 HydrophobicContact CD1-SD 4.14Å; L29-M68 HydrophobicContact CG-CE 4.33Å; M54-M68 HydrophobicContact CB-SD 4.14Å; M54-M68 HydrophobicContact SD-CB 4.23Å; M54-M68 HydrophobicContact SD-SD 4.14Å; R56-M68 HydrophobicContact CG-CE 4.02Å; L64-M68 HydrophobicContact CD2-CE 4.32Å; E66-M68 HydrophobicContact CB-CE 3.77Å; E66-M68 HydrophobicContact CB-CG 4.31Å; E66-M68 HydrophobicContact CG-CE 4.48Å; E66-M68 PolarHBondContact O-N 3.14Å; E66-M68 WeakPolarHBondContact OE2-CE 3.44Å; M68-L74 WeakPolarHBondContact O-CD2 3.47Å; M68-I84 HydrophobicContact CE-CD1 3.68Å
69G90.5Very high88.2Confident26 Ų2667.1 Ų67.127%0.26839%0.393SS..SBendtrans104.2-178.5-173.700000111.7
70T91.7Very high89Confident28 Ų2868.8 Ų68.817%0.17238%0.384CS..  trans-84.9127.6-178-550000110D30 K32 E72 Y73 L74D30-T70 PolarHBondContact OD1-N 2.9Å; D30-T70 PolarHBondContact OD1-OG1 2.8Å; K32-T70 HydrophobicContact CD-CG2 4.44Å; K32-T70 VanDerWaalsContact CD-OG1 3.27Å; K32-T70 WeakPolarHBondContact CD-OG1 3.12Å; K32-T70 PolarHBondContact NZ-OG1 3.28Å; T70-E72 VanDerWaalsContact C-N 3.34Å; T70-E72 HydrophobicContact CG2-CG 4.42Å; T70-E72 WeakPolarHBondContact CG2-OE2 3.43Å; T70-E72 PolarHBondContact O-N 3.38Å; T70-E72 VanDerWaalsContact O-N 3.14Å; T70-Y73 HydrophobicContact CG2-CD2 3.83Å; T70-Y73 HydrophobicContact CG2-CE2 4.17Å; T70-Y73 PolarHBondContact O-N 2.89Å; T70-L74 PolarHBondContact O-N 2.84Å
71P93.4Very high90.5Very high101 Ų10169.7 Ų69.766%0.65638%0.38SS*.G310 helixtrans-50.2-42.9-168-32.236.7000116.1Y73 L74P71-Y73 PolarHBondContact O-N 3.18Å; P71-L74 PolarHBondContact O-N 2.8Å
72E95.3Very high92.1Very high129 Ų12967.5 Ų67.560%0.60335%0.351SS*.G310 helixtrans-71.6-10.3-179.564.3-100.5-14300114.6T70T70-E72 VanDerWaalsContact C-N 3.34Å; T70-E72 HydrophobicContact CG2-CG 4.42Å; T70-E72 WeakPolarHBondContact CG2-OE2 3.43Å; T70-E72 PolarHBondContact O-N 3.38Å; T70-E72 VanDerWaalsContact O-N 3.14Å
73Y95.8Very high93.1Very high34 Ų3465 Ų6513%0.13333%0.333CS..G310 helixtrans-109.60.8179.3-60.2-84.2000113.2K32 P33 T70 P71 A75 N92 I95K32-Y73 HydrophobicContact CB-CD1 4.27Å; K32-Y73 HydrophobicContact CB-CD2 3.92Å; K32-Y73 HydrophobicContact CB-CE1 4.22Å; K32-Y73 HydrophobicContact CB-CE2 3.87Å; K32-Y73 HydrophobicContact CB-CG 4.14Å; P33-Y73 WeakPolarHBondContact CD-OH 3.43Å; P33-Y73 HydrophobicContact CG-CE1 4.47Å; T70-Y73 HydrophobicContact CG2-CD2 3.83Å; T70-Y73 HydrophobicContact CG2-CE2 4.17Å; T70-Y73 PolarHBondContact O-N 2.89Å; P71-Y73 PolarHBondContact O-N 3.18Å; Y73-A75 PolarHBondContact O-N 2.82Å; Y73-N92 PolarHBondContact O-ND2 2.87Å; Y73-I95 HydrophobicContact CD1-CB 4.39Å; Y73-I95 HydrophobicContact CD1-CD1 4.08Å; Y73-I95 HydrophobicContact CD1-CG2 3.91Å; Y73-I95 HydrophobicContact CE1-CG2 3.89Å
74L96.1Very high93.7Very high27 Ų2759.7 Ų59.714%0.14131%0.309CS..  trans-64.7130.1-175.1-63.7-178.5000111.9M68 T70 P71 I78 L79 W91M68-L74 WeakPolarHBondContact O-CD2 3.47Å; T70-L74 PolarHBondContact O-N 2.84Å; P71-L74 PolarHBondContact O-N 2.8Å; L74-I78 HydrophobicContact CD2-CD1 4.21Å; L74-I78 HydrophobicContact CD2-CG2 4.24Å; L74-L79 HydrophobicContact CB-CD2 4.06Å; L74-L79 HydrophobicContact CB-CG 4.23Å; L74-L79 HydrophobicContact CD1-CD2 3.76Å; L74-W91 PolarHBondContact O-NE1 2.83Å
75A97.2Very high94.1Very high0 Ų060.7 Ų60.70%032%0.316CS..  trans-71.9150.7174.300000111.2Y73 E77 I78 L79 T88 W91Y73-A75 PolarHBondContact O-N 2.82Å; A75-E77 VanDerWaalsContact C-N 3.26Å; A75-E77 VanDerWaalsContact CB-CD 3.44Å; A75-E77 HydrophobicContact CB-CG 4.3Å; A75-E77 VanDerWaalsContact CB-OE2 3.31Å; A75-E77 WeakPolarHBondContact CB-OE2 3.41Å; A75-E77 PolarHBondContact O-N 3.19Å; A75-I78 WeakPolarHBondContact O-CB 3.45Å; A75-I78 PolarHBondContact O-N 3.18Å; A75-L79 PolarHBondContact O-N 3.43Å; A75-T88 HydrophobicContact CB-CG2 3.95Å; A75-W91 VanDerWaalsContact CA-CD1 3.49Å; A75-W91 HydrophobicContact CB-CB 3.82Å; A75-W91 HydrophobicContact CB-CD2 4.27Å; A75-W91 HydrophobicContact CB-CG 3.64Å
76P97.6Very high94.4Very high49 Ų4958.7 Ų58.732%0.31831%0.314SS..Hα-helixtrans-55.6-38-178.2-25.834.4000113.7I78 L79 N80 W91P76-I78 VanDerWaalsContact C-N 3.27Å; P76-I78 PolarHBondContact O-N 3.1Å; P76-L79 PolarHBondContact O-N 3Å; P76-L79 VanDerWaalsContact O-N 3.15Å; P76-N80 WeakPolarHBondContact O-CB 3.33Å; P76-N80 VanDerWaalsContact O-CG 3.32Å; P76-N80 PolarHBondContact O-N 3.06Å; P76-N80 PolarHBondContact O-ND2 3.35Å; P76-W91 HydrophobicContact CG-CD2 4.48Å; P76-W91 HydrophobicContact CG-CE3 4.11Å; P76-W91 HydrophobicContact CG-CH2 3.65Å; P76-W91 HydrophobicContact CG-CZ2 4.05Å; P76-W91 HydrophobicContact CG-CZ3 3.67Å
77E96.6Very high94.9Very high37 Ų3757.5 Ų57.517%0.17332%0.317CS..Hα-helixtrans-62.1-33177.762.7-90.2-151.500112.7A75 Y81 D82 T88A75-E77 VanDerWaalsContact C-N 3.26Å; A75-E77 VanDerWaalsContact CB-CD 3.44Å; A75-E77 HydrophobicContact CB-CG 4.3Å; A75-E77 VanDerWaalsContact CB-OE2 3.31Å; A75-E77 WeakPolarHBondContact CB-OE2 3.41Å; A75-E77 PolarHBondContact O-N 3.19Å; E77-Y81 PolarHBondContact O-N 2.69Å; E77-Y81 VanDerWaalsContact O-N 3.16Å; E77-D82 HydrophobicContact CB-CB 3.88Å; E77-D82 PolarHBondContact O-N 3.26Å; E77-T88 WeakPolarHBondContact OE1-CA 3.42Å; E77-T88 WeakPolarHBondContact OE1-CB 3.42Å; E77-T88 PolarHBondContact OE1-N 3.29Å; E77-T88 PolarHBondContact OE1-OG1 3.11Å
78I95.3Very high95.1Very high6 Ų652 Ų523%0.03129%0.289CS..Hα-helixtrans-66.9-45.5174.3-65.7178.8000109.8I67 L74 A75 P76 N80 Y81 T88I67-I78 HydrophobicContact CB-CG2 4.47Å; I67-I78 HydrophobicContact CG2-CG2 4.37Å; L74-I78 HydrophobicContact CD2-CD1 4.21Å; L74-I78 HydrophobicContact CD2-CG2 4.24Å; A75-I78 WeakPolarHBondContact O-CB 3.45Å; A75-I78 PolarHBondContact O-N 3.18Å; P76-I78 VanDerWaalsContact C-N 3.27Å; P76-I78 PolarHBondContact O-N 3.1Å; I78-N80 VanDerWaalsContact C-N 3.33Å; I78-N80 PolarHBondContact O-N 3.1Å; I78-Y81 PolarHBondContact O-N 2.91Å; I78-T88 HydrophobicContact CD1-CG2 3.59Å; I78-T88 HydrophobicContact CG1-CG2 4.04Å
79L96.1Very high95.5Very high106 Ų10651.1 Ų51.156%0.55529%0.285SS*.Hα-helixtrans-67.4-34.6-178.4-62.2176.9000112.3L74 A75 P76 Y81L74-L79 HydrophobicContact CB-CD2 4.06Å; L74-L79 HydrophobicContact CB-CG 4.23Å; L74-L79 HydrophobicContact CD1-CD2 3.76Å; A75-L79 PolarHBondContact O-N 3.43Å; P76-L79 PolarHBondContact O-N 3Å; P76-L79 VanDerWaalsContact O-N 3.15Å; L79-Y81 VanDerWaalsContact C-N 3.26Å; L79-Y81 PolarHBondContact O-N 3.19Å
80N96.5Very high95.9Very high110 Ų11054 Ų5459%0.58829%0.292SS*.THydrogen-bonded Turntrans-81.3-5177.1-69.4-20.1000113.5P76 I78 D82P76-N80 WeakPolarHBondContact O-CB 3.33Å; P76-N80 VanDerWaalsContact O-CG 3.32Å; P76-N80 PolarHBondContact O-N 3.06Å; P76-N80 PolarHBondContact O-ND2 3.35Å; I78-N80 VanDerWaalsContact C-N 3.33Å; I78-N80 PolarHBondContact O-N 3.1Å; N80-D82 VanDerWaalsContact CB-OD2 3.28Å; N80-D82 WeakPolarHBondContact CB-OD2 3.4Å; N80-D82 PolarHBondContact O-N 2.72Å
81Y95.1Very high96.2Very high133 Ų13358.2 Ų58.252%0.52231%0.305SS..THydrogen-bonded Turntrans61.829-175-150-111.9000113.4R65 I67 E77 I78 L79R65-Y81 HydrophobicContact CB-CD1 4.22Å; R65-Y81 HydrophobicContact CB-CD2 4.42Å; R65-Y81 HydrophobicContact CB-CE1 3.87Å; R65-Y81 HydrophobicContact CB-CE2 4.08Å; R65-Y81 HydrophobicContact CB-CG 4.48Å; R65-Y81 WeakPolarHBondContact CD-O 3.18Å; R65-Y81 PolarHBondContact NE-O 3.06Å; R65-Y81 PolarHBondContact O-OH 2.95Å; I67-Y81 HydrophobicContact CD1-CD2 4.48Å; I67-Y81 HydrophobicContact CG1-CD2 4.17Å; E77-Y81 PolarHBondContact O-N 2.69Å; E77-Y81 VanDerWaalsContact O-N 3.16Å; I78-Y81 PolarHBondContact O-N 2.91Å; L79-Y81 VanDerWaalsContact C-N 3.26Å; L79-Y81 PolarHBondContact O-N 3.19Å
82D95.1Very high96.4Very high75 Ų7554.1 Ų54.140%0.40128%0.277SS..PPolyproline II helixtrans-75.3160.2172.2-67.8-41000110.3E77 N80 I84E77-D82 HydrophobicContact CB-CB 3.88Å; E77-D82 PolarHBondContact O-N 3.26Å; N80-D82 VanDerWaalsContact CB-OD2 3.28Å; N80-D82 WeakPolarHBondContact CB-OD2 3.4Å; N80-D82 PolarHBondContact O-N 2.72Å; D82-I84 PolarHBondContact O-N 3.26Å
83P93.9Very high96.5Very high42 Ų4249.4 Ų49.427%0.27326%0.256SS..PPolyproline II helixtrans-57.3131176.2-25.335.5000112.5E63E63-P83 HydrophobicContact CB-CB 4.25Å; E63-P83 HydrophobicContact CB-CG 4.26Å; E63-P83 HydrophobicContact CG-CB 4.38Å; E63-P83 HydrophobicContact CG-CG 4.2Å
84I93.8Very high96.5Very high12 Ų1251.1 Ų51.16%0.06228%0.284CS..PPolyproline II helixtrans-66.3136.4174.5-71.7173.5000110.1L29 L64 E66 M68 D82L29-I84 HydrophobicContact CD1-CG2 4.41Å; L29-I84 HydrophobicContact CD2-CD1 4.25Å; L29-I84 HydrophobicContact CD2-CG2 3.44Å; L29-I84 VanDerWaalsContact CD2-CG2 3.44Å; L29-I84 HydrophobicContact CG-CG2 4.48Å; L64-I84 HydrophobicContact CD2-CB 4.15Å; L64-I84 HydrophobicContact CD2-CD1 3.83Å; L64-I84 HydrophobicContact CD2-CG2 4.18Å; L64-I84 HydrophobicContact CG-CB 4.5Å; L64-I84 HydrophobicContact CG-CD1 4.08Å; L64-I84 PolarHBondContact O-N 2.85Å; E66-I84 HydrophobicContact CB-CD1 4.38Å; M68-I84 HydrophobicContact CE-CD1 3.68Å; D82-I84 PolarHBondContact O-N 3.26Å
85T94.9Very high96.4Very high62 Ų6255.5 Ų55.538%0.3831%0.306SS..  trans-134.9176.7177.173.70000111.2A87 T88T85-A87 PolarHBondContact O-N 3.22Å; T85-A87 VanDerWaalsContact OG1-CB 3.28Å; T85-A87 WeakPolarHBondContact OG1-CB 3.33Å; T85-A87 PolarHBondContact OG1-N 3.29Å; T85-A87 VanDerWaalsContact OG1-N 3.11Å; T85-T88 WeakPolarHBondContact O-CB 3.26Å; T85-T88 PolarHBondContact O-N 2.99Å; T85-T88 PolarHBondContact O-OG1 3.03Å
86T97Very high96.4Very high48 Ų4858.3 Ų58.329%0.29432%0.322SS..THydrogen-bonded Turntrans-59.7-22.7169.7510000113.3H22 V27 I58 T88 D89 M90H22-T86 HydrophobicContact CB-CG2 3.93Å; H22-T86 PolarHBondContact CE1-O 3.46Å; H22-T86 VanDerWaalsContact CE1-O 3.23Å; V27-T86 HydrophobicContact CG2-CG2 4.26Å; I58-T86 HydrophobicContact CD1-CG2 3.36Å; T86-T88 PolarHBondContact O-N 3.28Å; T86-D89 PolarHBondContact O-N 3.2Å; T86-M90 PolarHBondContact O-N 3.03Å
87A97.4Very high96.3Very high49 Ų4958.7 Ų58.741%0.40532%0.322SS..Hα-helixtrans-64-23.7178.100000112.6T85 M90 W91T85-A87 PolarHBondContact O-N 3.22Å; T85-A87 VanDerWaalsContact OG1-CB 3.28Å; T85-A87 WeakPolarHBondContact OG1-CB 3.33Å; T85-A87 PolarHBondContact OG1-N 3.29Å; T85-A87 VanDerWaalsContact OG1-N 3.11Å; A87-M90 CarbonylContact O-C 3.6Å; A87-M90 WeakPolarHBondContact O-CA 3.42Å; A87-M90 WeakPolarHBondContact O-CB 3.27Å; A87-M90 PolarHBondContact O-N 3.09Å; A87-W91 PolarHBondContact O-N 3.48Å
88T97.3Very high96.3Very high0 Ų059.9 Ų59.90%033%0.33CS..Hα-helixtrans-62.7-43.7176.9-54.90000111.7L29 A75 E77 I78 T85 T86 M90 W91 N92L29-T88 HydrophobicContact CD2-CG2 3.85Å; A75-T88 HydrophobicContact CB-CG2 3.95Å; E77-T88 WeakPolarHBondContact OE1-CA 3.42Å; E77-T88 WeakPolarHBondContact OE1-CB 3.42Å; E77-T88 PolarHBondContact OE1-N 3.29Å; E77-T88 PolarHBondContact OE1-OG1 3.11Å; I78-T88 HydrophobicContact CD1-CG2 3.59Å; I78-T88 HydrophobicContact CG1-CG2 4.04Å; T85-T88 WeakPolarHBondContact O-CB 3.26Å; T85-T88 PolarHBondContact O-N 2.99Å; T85-T88 PolarHBondContact O-OG1 3.03Å; T86-T88 PolarHBondContact O-N 3.28Å; T88-M90 VanDerWaalsContact C-N 3.27Å; T88-M90 PolarHBondContact O-N 2.71Å; T88-W91 WeakPolarHBondContact O-CB 3.23Å; T88-W91 PolarHBondContact O-N 2.77Å; T88-N92 PolarHBondContact O-N 3.3Å; T88-N92 PolarHBondContact O-OD1 3.09Å
89D98.3Very high96.4Very high0 Ų063.1 Ų63.10%035%0.348CS..Hα-helixtrans-65.3-32.8172.6-75.3-17.7000111.5V18 H22 V27 H28 L29 L31 T86 N92 I93V18-D89 HydrophobicContact CG1-CB 4.15Å; H22-D89 IonicContact CD2-OD2 3.09Å; H22-D89 IonicContact CE1-OD2 2.73Å; H22-D89 IonicContact NE2-OD2 2.68Å; H22-D89 PolarHBondContact NE2-OD2 3.49Å; V27-D89 WeakPolarHBondContact CA-OD2 3.3Å; V27-D89 HydrophobicContact CG1-CB 4.45Å; V27-D89 VanDerWaalsContact CG1-CG 3.47Å; V27-D89 WeakPolarHBondContact CG1-OD1 3.37Å; V27-D89 VanDerWaalsContact CG1-OD2 3.31Å; V27-D89 WeakPolarHBondContact CG1-OD2 3.49Å; H28-D89 WeakPolarHBondContact CB-OD1 3.46Å; H28-D89 PolarHBondContact N-OD1 3.47Å; H28-D89 VanDerWaalsContact N-OD1 3.13Å; H28-D89 PolarHBondContact N-OD2 2.86Å; L29-D89 PolarHBondContact N-OD1 3.32Å; L31-D89 HydrophobicContact CD1-CB 3.72Å; T86-D89 PolarHBondContact O-N 3.2Å; D89-N92 WeakPolarHBondContact O-CB 3.48Å; D89-N92 PolarHBondContact O-N 2.9Å; D89-I93 WeakPolarHBondContact O-CG1 3.37Å; D89-I93 PolarHBondContact O-N 2.83Å; D89-I93 VanDerWaalsContact O-N 3.16Å
90M98.6Very high96.4Very high86 Ų8660.4 Ų60.442%0.42434%0.335SS..Hα-helixtrans-69.5-34.3178.7-59.6-53.9-53.600112.4L15 V18 T86 A87 T88 N92 I93 G94L15-M90 HydrophobicContact CD2-CE 3.8Å; V18-M90 HydrophobicContact CG1-SD 4.35Å; T86-M90 PolarHBondContact O-N 3.03Å; A87-M90 CarbonylContact O-C 3.6Å; A87-M90 WeakPolarHBondContact O-CA 3.42Å; A87-M90 WeakPolarHBondContact O-CB 3.27Å; A87-M90 PolarHBondContact O-N 3.09Å; T88-M90 VanDerWaalsContact C-N 3.27Å; T88-M90 PolarHBondContact O-N 2.71Å; M90-N92 VanDerWaalsContact C-N 3.33Å; M90-I93 HydrophobicContact CE-CD1 4.18Å; M90-I93 PolarHBondContact O-N 3Å; M90-I93 HydrophobicContact SD-CD1 4.06Å; M90-G94 PolarHBondContact O-N 3.3Å
91W98.4Very high96.4Very high116 Ų11657.1 Ų57.144%0.43932%0.318SS..Hα-helixtrans-58.4-47.1169.8174.9-90.2000110.7L74 A75 P76 A87 T88 I93 G94 I95L74-W91 PolarHBondContact O-NE1 2.83Å; A75-W91 VanDerWaalsContact CA-CD1 3.49Å; A75-W91 HydrophobicContact CB-CB 3.82Å; A75-W91 HydrophobicContact CB-CD2 4.27Å; A75-W91 HydrophobicContact CB-CG 3.64Å; P76-W91 HydrophobicContact CG-CD2 4.48Å; P76-W91 HydrophobicContact CG-CE3 4.11Å; P76-W91 HydrophobicContact CG-CH2 3.65Å; P76-W91 HydrophobicContact CG-CZ2 4.05Å; P76-W91 HydrophobicContact CG-CZ3 3.67Å; A87-W91 PolarHBondContact O-N 3.48Å; T88-W91 WeakPolarHBondContact O-CB 3.23Å; T88-W91 PolarHBondContact O-N 2.77Å; W91-I93 VanDerWaalsContact C-N 3.31Å; W91-I93 PolarHBondContact O-N 3.21Å; W91-G94 PolarHBondContact O-N 3.37Å; W91-I95 PolarHBondContact O-N 3.06Å
92N97.5Very high96.5Very high15 Ų1551.7 Ų51.78%0.0830%0.303CS..Hα-helixtrans-61.5-35.8179.5-64.3137.3000113.7L31 Y73 T88 D89 M90 G94 I95L31-N92 HydrophobicContact CB-CB 3.62Å; L31-N92 VanDerWaalsContact O-CB 3.31Å; L31-N92 WeakPolarHBondContact O-CB 3.45Å; Y73-N92 PolarHBondContact O-ND2 2.87Å; T88-N92 PolarHBondContact O-N 3.3Å; T88-N92 PolarHBondContact O-OD1 3.09Å; D89-N92 WeakPolarHBondContact O-CB 3.48Å; D89-N92 PolarHBondContact O-N 2.9Å; M90-N92 VanDerWaalsContact C-N 3.33Å; N92-G94 PolarHBondContact O-N 3.31Å; N92-I95 PolarHBondContact O-N 2.77Å
93I97.5Very high96.6Very high30 Ų3049.9 Ų49.915%0.15430%0.296CS..Hα-helixtrans-68.7-26.2176.3-63.3168.1000111.7I14 L15 V18 L31 D89 M90 W91I14-I93 HydrophobicContact CG2-CD1 4.19Å; I14-I93 HydrophobicContact CG2-CG1 4.03Å; L15-I93 HydrophobicContact CD2-CD1 3.89Å; L15-I93 HydrophobicContact CD2-CG2 4.28Å; V18-I93 HydrophobicContact CB-CD1 4.15Å; V18-I93 HydrophobicContact CG1-CD1 4.11Å; V18-I93 HydrophobicContact CG2-CD1 3.97Å; L31-I93 HydrophobicContact CD1-CG1 4.36Å; D89-I93 WeakPolarHBondContact O-CG1 3.37Å; D89-I93 PolarHBondContact O-N 2.83Å; D89-I93 VanDerWaalsContact O-N 3.16Å; M90-I93 HydrophobicContact CE-CD1 4.18Å; M90-I93 PolarHBondContact O-N 3Å; M90-I93 HydrophobicContact SD-CD1 4.06Å; W91-I93 VanDerWaalsContact C-N 3.31Å; W91-I93 PolarHBondContact O-N 3.21Å
94G96.3Very high96.8Very high70 Ų7050.6 Ų50.672%0.72230%0.298SS*.Hα-helixtrans-81.6-15-179.800000115.1M90 W91 N92M90-G94 PolarHBondContact O-N 3.3Å; W91-G94 PolarHBondContact O-N 3.37Å; N92-G94 PolarHBondContact O-N 3.31Å
95I94.4Very high97.1Very high119 Ų11954.1 Ų54.161%0.6132%0.319SS*.  trans-790173.8-65.2176.2000109.7Y73 W91 N92Y73-I95 HydrophobicContact CD1-CB 4.39Å; Y73-I95 HydrophobicContact CD1-CD1 4.08Å; Y73-I95 HydrophobicContact CD1-CG2 3.91Å; Y73-I95 HydrophobicContact CE1-CG2 3.89Å; W91-I95 PolarHBondContact O-N 3.06Å; N92-I95 PolarHBondContact O-N 2.77Å

Retrieved 95 of 95 residues in 30 ms (Link to these results)

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