A0A087WWX2_HUMAN Loading...

DnaJ heat shock protein family (Hsp40) member B14

AlphaFold DB , UniProt , Accession A0A087WWX2, Species HUMAN (Homo sapiens, Human), Gene DNAJB14, Length 109 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
1M49Very low77.5Confident252 Ų252100.5 Ų100.5100%1.24149%0.49SS*.  081.20-162.5164.7-167.300106
2E53.4Low78.5Confident195 Ų19593.5 Ų93.591%0.91146%0.458SS*.  trans-148.983.8-171-166.3172.1113.600105.8
3G61.9Low79.4Confident35 Ų3597 Ų9736%0.36147%0.473SS..  trans-141.7-19-167.700000115.1R5 E7G3-R5 VanDerWaalsContact C-N 3.35Å; G3-R5 PolarHBondContact O-N 3.21Å; G3-E7 WeakPolarHBondContact O-CB 3.16Å; G3-E7 PolarHBondContact O-N 3.3Å
4N74.6Confident80.2Confident95 Ų9594.7 Ų94.751%0.50846%0.463SS..Hα-helixtrans-71.3-33.8-178.1-75.837.7000112.3A8 L37N4-A8 WeakPolarHBondContact O-CB 3.28Å; N4-A8 PolarHBondContact O-N 3.38Å; N4-L37 PolarHBondContact ND2-O 2.96Å
5R81.1Confident80.7Confident143 Ų14388.4 Ų88.454%0.5443%0.432SS..Hα-helixtrans-72.7-48.4177.1-169.3-176.9169.9163.44.8111.2G3 E7 A8 E9 Y38G3-R5 VanDerWaalsContact C-N 3.35Å; G3-R5 PolarHBondContact O-N 3.21Å; R5-E7 PolarHBondContact O-N 3.03Å; R5-A8 WeakPolarHBondContact O-CB 3.4Å; R5-A8 PolarHBondContact O-N 3.36Å; R5-A8 VanDerWaalsContact O-N 3.1Å; R5-E9 WeakPolarHBondContact CG-OE2 3.2Å; R5-E9 IonicContact NE-OE2 2.73Å; R5-E9 PolarHBondContact NE-OE2 2.77Å; R5-E9 WeakPolarHBondContact O-CG 3.31Å; R5-E9 PolarHBondContact O-N 2.82Å; R5-Y38 HydrophobicContact CB-CD2 4.37Å; R5-Y38 HydrophobicContact CG-CD1 4.5Å; R5-Y38 HydrophobicContact CG-CE1 4.48Å
6D86.8Confident81Confident84 Ų8490.8 Ų90.845%0.44944%0.435SS..Hα-helixtrans-59.8-42.7177.1-174.4-95.2000112.3A8 E9 K10D6-A8 VanDerWaalsContact C-N 3.33Å; D6-A8 PolarHBondContact O-N 2.78Å; D6-E9 PolarHBondContact O-N 3.43Å; D6-K10 PolarHBondContact O-N 3.45Å; D6-K10 IonicContact OD1-NZ 3.19Å; D6-K10 PolarHBondContact OD1-NZ 2.9Å
7E87.1Confident81.3Confident81 Ų8193.9 Ų93.938%0.37945%0.449SS..Hα-helixtrans-63.5-38.4174.7-95.2-149.884.400112.4G3 R5 C11 K33 L37G3-E7 WeakPolarHBondContact O-CB 3.16Å; G3-E7 PolarHBondContact O-N 3.3Å; R5-E7 PolarHBondContact O-N 3.03Å; E7-C11 WeakPolarHBondContact O-CB 3.45Å; E7-C11 PolarHBondContact O-N 3.21Å; E7-C11 PolarHBondContact O-SG 3.34Å; E7-K33 IonicContact OE1-NZ 2.78Å; E7-K33 PolarHBondContact OE1-NZ 3.5Å; E7-L37 HydrophobicContact CB-CD1 3.81Å
8A88.9Confident81.5Confident0 Ų089.1 Ų89.10%043%0.427CS..Hα-helixtrans-67.5-41.6178.100000111.4N4 R5 D6 C11 V12 A34 L37 L40N4-A8 WeakPolarHBondContact O-CB 3.28Å; N4-A8 PolarHBondContact O-N 3.38Å; R5-A8 WeakPolarHBondContact O-CB 3.4Å; R5-A8 PolarHBondContact O-N 3.36Å; R5-A8 VanDerWaalsContact O-N 3.1Å; D6-A8 VanDerWaalsContact C-N 3.33Å; D6-A8 PolarHBondContact O-N 2.78Å; A8-C11 WeakPolarHBondContact O-CB 3.08Å; A8-C11 PolarHBondContact O-N 3.36Å; A8-V12 WeakPolarHBondContact O-CG2 3.49Å; A8-V12 PolarHBondContact O-N 3.19Å; A8-A34 HydrophobicContact CB-CB 4.18Å; A8-L37 HydrophobicContact CB-CB 4.46Å; A8-L40 HydrophobicContact CB-CD1 3.68Å; A8-L40 HydrophobicContact CB-CG 4.24Å
9E88.2Confident81.4Confident99 Ų9984.7 Ų84.746%0.46341%0.406SS..Hα-helixtrans-63.4-44.2176.4-69.5-172.876.400111.5R5 D6 C11 V12 E13 L40R5-E9 WeakPolarHBondContact CG-OE2 3.2Å; R5-E9 IonicContact NE-OE2 2.73Å; R5-E9 PolarHBondContact NE-OE2 2.77Å; R5-E9 WeakPolarHBondContact O-CG 3.31Å; R5-E9 PolarHBondContact O-N 2.82Å; D6-E9 PolarHBondContact O-N 3.43Å; E9-C11 VanDerWaalsContact C-N 3.31Å; E9-C11 PolarHBondContact O-N 3.31Å; E9-V12 WeakPolarHBondContact O-CB 3.25Å; E9-V12 PolarHBondContact O-N 3.46Å; E9-V12 VanDerWaalsContact O-N 3.13Å; E9-E13 PolarHBondContact O-N 3.03Å; E9-L40 HydrophobicContact CG-CD1 4.15Å
10K90.7Very high81.3Confident115 Ų11586.4 Ų86.450%0.542%0.418SS..Hα-helixtrans-58.1-41.6171.5-85.8-177.8-178.1120.50112.8D6 V12 E13 I14D6-K10 PolarHBondContact O-N 3.45Å; D6-K10 IonicContact OD1-NZ 3.19Å; D6-K10 PolarHBondContact OD1-NZ 2.9Å; K10-V12 VanDerWaalsContact C-N 3.3Å; K10-V12 PolarHBondContact O-N 2.92Å; K10-E13 PolarHBondContact O-N 3.14Å; K10-I14 VanDerWaalsContact O-CG1 3.29Å; K10-I14 WeakPolarHBondContact O-CG1 3.36Å; K10-I14 PolarHBondContact O-N 3.05Å
11C90.6Very high81.2Confident6 Ų685.5 Ų85.54%0.04142%0.424CS..Hα-helixtrans-63.4-37.9177.4-73.20000111.8E7 A8 E9 A15 F30 A34E7-C11 WeakPolarHBondContact O-CB 3.45Å; E7-C11 PolarHBondContact O-N 3.21Å; E7-C11 PolarHBondContact O-SG 3.34Å; A8-C11 WeakPolarHBondContact O-CB 3.08Å; A8-C11 PolarHBondContact O-N 3.36Å; E9-C11 VanDerWaalsContact C-N 3.31Å; E9-C11 PolarHBondContact O-N 3.31Å; C11-A15 VanDerWaalsContact O-CB 3.28Å; C11-A15 WeakPolarHBondContact O-CB 3.3Å; C11-A15 PolarHBondContact O-N 3.4Å; C11-F30 HydrophobicContact CB-CB 4.35Å; C11-F30 HydrophobicContact CB-CD1 4.44Å; C11-F30 WeakPolarHBondContact CB-O 3.44Å; C11-F30 WeakPolarHBondContact O-CB 3.4Å; C11-A34 HydrophobicContact CB-CB 3.69Å
12V89.4Confident82.4Confident17 Ų1774.1 Ų74.110%0.10337%0.372CS..Hα-helixtrans-65.9-41.4175.2172.80000111.3A8 E9 K10 A15 R16 L31 A34 L40 A43 L46A8-V12 WeakPolarHBondContact O-CG2 3.49Å; A8-V12 PolarHBondContact O-N 3.19Å; E9-V12 WeakPolarHBondContact O-CB 3.25Å; E9-V12 PolarHBondContact O-N 3.46Å; E9-V12 VanDerWaalsContact O-N 3.13Å; K10-V12 VanDerWaalsContact C-N 3.3Å; K10-V12 PolarHBondContact O-N 2.92Å; V12-A15 WeakPolarHBondContact O-CB 3.49Å; V12-A15 PolarHBondContact O-N 3.45Å; V12-R16 WeakPolarHBondContact O-CG 3.17Å; V12-R16 PolarHBondContact O-N 3.48Å; V12-L31 HydrophobicContact CG2-CD2 4.14Å; V12-A34 HydrophobicContact CG2-CB 4.2Å; V12-L40 HydrophobicContact CG2-CD1 3.95Å; V12-A43 HydrophobicContact CG2-CB 3.85Å; V12-L46 HydrophobicContact CG1-CD1 3.87Å
13E90.2Very high83.6Confident139 Ų13968.8 Ų68.865%0.6535%0.349SS*.Hα-helixtrans-62.5-49.4177.6-169.7173.788.800111.9E9 K10 A15 R16 E17E9-E13 PolarHBondContact O-N 3.03Å; K10-E13 PolarHBondContact O-N 3.14Å; E13-A15 PolarHBondContact O-N 2.74Å; E13-R16 WeakPolarHBondContact O-CB 3.34Å; E13-R16 PolarHBondContact O-N 2.8Å; E13-R16 VanDerWaalsContact O-N 3.12Å; E13-E17 PolarHBondContact O-N 2.96Å
14I90.6Very high84.3Confident65 Ų6568.5 Ų68.533%0.33334%0.337SS..Hα-helixtrans-60.3-38176.1-62.8165.1000110.7K10 E17 A18 F30K10-I14 VanDerWaalsContact O-CG1 3.29Å; K10-I14 WeakPolarHBondContact O-CG1 3.36Å; K10-I14 PolarHBondContact O-N 3.05Å; I14-E17 PolarHBondContact O-N 3.34Å; I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.49Å; I14-A18 PolarHBondContact O-N 2.93Å; I14-F30 HydrophobicContact CB-CD1 4.42Å; I14-F30 HydrophobicContact CB-CD2 4.43Å; I14-F30 HydrophobicContact CB-CG 4.35Å; I14-F30 HydrophobicContact CD1-CD1 4.35Å; I14-F30 HydrophobicContact CD1-CE1 4.05Å; I14-F30 HydrophobicContact CG2-CD1 4.21Å; I14-F30 HydrophobicContact CG2-CD2 3.61Å; I14-F30 HydrophobicContact CG2-CE1 4.12Å; I14-F30 HydrophobicContact CG2-CE2 3.54Å; I14-F30 HydrophobicContact CG2-CG 3.98Å; I14-F30 HydrophobicContact CG2-CZ 3.81Å
15A88.5Confident84.6Confident0 Ų070.3 Ų70.30%034%0.343CS..Hα-helixtrans-65.5-41.1176.900000112.3C11 V12 E13 E17 A18 L19 A27 F30 L31C11-A15 VanDerWaalsContact O-CB 3.28Å; C11-A15 WeakPolarHBondContact O-CB 3.3Å; C11-A15 PolarHBondContact O-N 3.4Å; V12-A15 WeakPolarHBondContact O-CB 3.49Å; V12-A15 PolarHBondContact O-N 3.45Å; E13-A15 PolarHBondContact O-N 2.74Å; A15-E17 VanDerWaalsContact C-N 3.34Å; A15-A18 PolarHBondContact O-N 2.82Å; A15-L19 VanDerWaalsContact O-CG 3.27Å; A15-L19 WeakPolarHBondContact O-CG 3.48Å; A15-L19 PolarHBondContact O-N 3.14Å; A15-A27 HydrophobicContact CB-CB 4.06Å; A15-A27 WeakPolarHBondContact O-CB 3.44Å; A15-F30 HydrophobicContact CB-CB 4.14Å; A15-L31 HydrophobicContact CB-CD1 4.01Å; A15-L31 HydrophobicContact CB-CD2 3.64Å; A15-L31 HydrophobicContact CB-CG 3.48Å; A15-L31 VanDerWaalsContact CB-CG 3.48Å
16R84.8Confident84.8Confident126 Ų12668.9 Ų68.948%0.47534%0.341SS..Hα-helixtrans-61.8-42.8174.6-74.317770.2-172.62.8111.7V12 E13 L19 N20 L46V12-R16 WeakPolarHBondContact O-CG 3.17Å; V12-R16 PolarHBondContact O-N 3.48Å; E13-R16 WeakPolarHBondContact O-CB 3.34Å; E13-R16 PolarHBondContact O-N 2.8Å; E13-R16 VanDerWaalsContact O-N 3.12Å; R16-L19 WeakPolarHBondContact O-CB 3.43Å; R16-L19 PolarHBondContact O-N 2.94Å; R16-N20 PolarHBondContact O-N 3.47Å; R16-L46 HydrophobicContact CG-CD1 4.12Å
17E86.7Confident84.8Confident145 Ų14564.9 Ų64.968%0.67832%0.319SS*.Hα-helixtrans-67-40.7178-162.9166.987.800111.7E13 I14 A15 L19 N20 A21E13-E17 PolarHBondContact O-N 2.96Å; I14-E17 PolarHBondContact O-N 3.34Å; A15-E17 VanDerWaalsContact C-N 3.34Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.37Å; E17-N20 PolarHBondContact O-N 3.2Å; E17-A21 WeakPolarHBondContact O-CB 3.46Å; E17-A21 PolarHBondContact O-N 3.37Å
18A84.9Confident84.8Confident7 Ų764.2 Ų64.26%0.05832%0.316CS..Hα-helixtrans-61.5-38.2172.500000112.1I14 A15 A21 G22 N23 K26 A27I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.49Å; I14-A18 PolarHBondContact O-N 2.93Å; A15-A18 PolarHBondContact O-N 2.82Å; A18-A21 CarbonylContact O-C 3.51Å; A18-A21 PolarHBondContact O-N 2.88Å; A18-G22 PolarHBondContact O-N 3.45Å; A18-G22 VanDerWaalsContact O-N 3.11Å; A18-N23 HydrophobicContact CB-CB 4.29Å; A18-N23 WeakPolarHBondContact O-CA 3.25Å; A18-N23 PolarHBondContact O-N 2.99Å; A18-K26 HydrophobicContact CB-CB 4.13Å; A18-K26 HydrophobicContact CB-CD 4.27Å; A18-K26 HydrophobicContact CB-CG 4.18Å; A18-A27 HydrophobicContact CB-CB 3.98Å
19L79.5Confident84.8Confident6 Ų673.5 Ų73.53%0.03135%0.351CS..Hα-helixtrans-64.2-43.2173.5-73.4173.9000112.4A15 R16 E17 A21 G22 R24 A27 L46 I50 Y92A15-L19 VanDerWaalsContact O-CG 3.27Å; A15-L19 WeakPolarHBondContact O-CG 3.48Å; A15-L19 PolarHBondContact O-N 3.14Å; R16-L19 WeakPolarHBondContact O-CB 3.43Å; R16-L19 PolarHBondContact O-N 2.94Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.37Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 3.08Å; L19-G22 PolarHBondContact O-N 3.02Å; L19-R24 HydrophobicContact CD2-CG 4.3Å; L19-A27 HydrophobicContact CD1-CB 4.49Å; L19-A27 HydrophobicContact CD2-CB 3.8Å; L19-A27 HydrophobicContact CG-CB 3.67Å; L19-L46 HydrophobicContact CD1-CD2 4.26Å; L19-I50 HydrophobicContact CD1-CD1 4.27Å; L19-I50 HydrophobicContact CD1-CG1 4.44Å; L19-I50 HydrophobicContact CD2-CD1 3.83Å; L19-I50 HydrophobicContact CD2-CG1 3.71Å; L19-I50 HydrophobicContact CG-CD1 4.39Å; L19-Y92 HydrophobicContact CD2-CD2 4Å; L19-Y92 HydrophobicContact CD2-CE2 3.85Å
20N78.5Confident84.9Confident118 Ų11871.5 Ų71.563%0.63134%0.341SS*.Hα-helixtrans-64.2-33.5175.6-170.552.7000112R16 E17 G22R16-N20 PolarHBondContact O-N 3.47Å; E17-N20 PolarHBondContact O-N 3.2Å; N20-G22 PolarHBondContact O-N 2.89Å
21A80.2Confident84.9Confident67 Ų6766 Ų6655%0.55432%0.317SS*.THydrogen-bonded Turntrans-78.1-2.2172.700000113.9E17 A18 L19 N23E17-A21 WeakPolarHBondContact O-CB 3.46Å; E17-A21 PolarHBondContact O-N 3.37Å; A18-A21 CarbonylContact O-C 3.51Å; A18-A21 PolarHBondContact O-N 2.88Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 3.08Å; A21-N23 VanDerWaalsContact C-N 3.33Å; A21-N23 PolarHBondContact O-N 3.28Å
22G73.9Confident84.8Confident14 Ų1470.9 Ų70.914%0.14434%0.339CS..THydrogen-bonded Turntrans81.43.5-178.900000115.5A18 L19 N20 R24A18-G22 PolarHBondContact O-N 3.45Å; A18-G22 VanDerWaalsContact O-N 3.11Å; L19-G22 PolarHBondContact O-N 3.02Å; N20-G22 PolarHBondContact O-N 2.89Å; G22-R24 PolarHBondContact O-N 3.02Å
23N78.2Confident84.7Confident82 Ų8274.7 Ų74.744%0.43935%0.354SS..  trans-89.778.2-175.5-69.3-43.1000112.3A18 A21 K26 A27A18-N23 HydrophobicContact CB-CB 4.29Å; A18-N23 WeakPolarHBondContact O-CA 3.25Å; A18-N23 PolarHBondContact O-N 2.99Å; A21-N23 VanDerWaalsContact C-N 3.33Å; A21-N23 PolarHBondContact O-N 3.28Å; N23-K26 HydrophobicContact CB-CB 4.06Å; N23-K26 PolarHBondContact O-N 3.47Å; N23-A27 PolarHBondContact O-N 3.34Å; N23-A27 VanDerWaalsContact O-N 3.1Å
24R77.3Confident84.7Confident30 Ų3068 Ų6811%0.11332%0.323CS..Hα-helixtrans-61.3-48.9-179.4-86.2-173172.7100.91.3113.6L19 G22 K26 A27 Q28 I50 N53 Y92L19-R24 HydrophobicContact CD2-CG 4.3Å; G22-R24 PolarHBondContact O-N 3.02Å; R24-K26 PolarHBondContact O-N 3.44Å; R24-A27 PolarHBondContact O-N 3.2Å; R24-A27 VanDerWaalsContact O-N 3.12Å; R24-Q28 WeakPolarHBondContact O-CB 3.18Å; R24-Q28 PolarHBondContact O-N 3.18Å; R24-I50 HydrophobicContact CB-CG2 4.28Å; R24-I50 HydrophobicContact CG-CG2 4.21Å; R24-N53 VanDerWaalsContact NH2-CB 3.32Å; R24-Y92 HydrophobicContact CG-CD2 3.62Å; R24-Y92 HydrophobicContact CG-CE2 3.85Å; R24-Y92 PolarHBondContact NH2-OH 2.96Å
25E80.3Confident84.5Confident133 Ų13368.3 Ų68.362%0.62132%0.323SS*.Hα-helixtrans-57.7-38.4-179.5-82.197.3132.100112.2R29E25-R29 WeakPolarHBondContact O-CG 3.27Å; E25-R29 PolarHBondContact O-N 3.02Å; E25-R29 VanDerWaalsContact O-N 3.13Å
26K85.6Confident84.4Confident113 Ų11377.6 Ų77.649%0.49136%0.363SS..Hα-helixtrans-64.8-50.8176.6-169.8176.5-179-176.20109.8A18 N23 R24 Q28 R29 F30A18-K26 HydrophobicContact CB-CB 4.13Å; A18-K26 HydrophobicContact CB-CD 4.27Å; A18-K26 HydrophobicContact CB-CG 4.18Å; N23-K26 HydrophobicContact CB-CB 4.06Å; N23-K26 PolarHBondContact O-N 3.47Å; R24-K26 PolarHBondContact O-N 3.44Å; K26-Q28 PolarHBondContact O-N 2.79Å; K26-R29 PolarHBondContact O-N 2.93Å; K26-F30 HydrophobicContact CD-CE2 4.36Å; K26-F30 HydrophobicContact CG-CD2 3.96Å; K26-F30 HydrophobicContact CG-CE2 3.68Å; K26-F30 WeakPolarHBondContact O-CD2 3.29Å; K26-F30 PolarHBondContact O-N 3.39Å
27A87.4Confident84.5Confident0 Ų073.7 Ų73.70%035%0.352CS..Hα-helixtrans-56.9-47.2177.500000112.8A15 A18 L19 N23 R24 R29 F30 L31 I50A15-A27 HydrophobicContact CB-CB 4.06Å; A15-A27 WeakPolarHBondContact O-CB 3.44Å; A18-A27 HydrophobicContact CB-CB 3.98Å; L19-A27 HydrophobicContact CD1-CB 4.49Å; L19-A27 HydrophobicContact CD2-CB 3.8Å; L19-A27 HydrophobicContact CG-CB 3.67Å; N23-A27 PolarHBondContact O-N 3.34Å; N23-A27 VanDerWaalsContact O-N 3.1Å; R24-A27 PolarHBondContact O-N 3.2Å; R24-A27 VanDerWaalsContact O-N 3.12Å; A27-R29 VanDerWaalsContact C-N 3.34Å; A27-R29 PolarHBondContact O-N 3.37Å; A27-F30 PolarHBondContact O-N 3.49Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.28Å; A27-L31 PolarHBondContact O-N 3.17Å; A27-I50 HydrophobicContact CB-CD1 3.8Å
28Q86.3Confident84.4Confident67 Ų6771.3 Ų71.331%0.31334%0.337SS..Hα-helixtrans-58.9-44.4179.7-174-177.2-29.200112R24 K26 F30 L31 Q32 L47 I50R24-Q28 WeakPolarHBondContact O-CB 3.18Å; R24-Q28 PolarHBondContact O-N 3.18Å; K26-Q28 PolarHBondContact O-N 2.79Å; Q28-F30 PolarHBondContact O-N 3.34Å; Q28-L31 PolarHBondContact O-N 3.21Å; Q28-Q32 WeakPolarHBondContact O-CG 3.25Å; Q28-Q32 PolarHBondContact O-N 2.84Å; Q28-L47 HydrophobicContact CB-CD2 4.44Å; Q28-L47 HydrophobicContact CG-CD2 3.7Å; Q28-I50 HydrophobicContact CB-CG2 4.28Å
29R88.8Confident84.2Confident194 Ų19475.7 Ų75.773%0.73237%0.365SS*.Hα-helixtrans-61-43.6178.4-78.3175.6162162.5-2.5112.1E25 K26 A27 K33E25-R29 WeakPolarHBondContact O-CG 3.27Å; E25-R29 PolarHBondContact O-N 3.02Å; E25-R29 VanDerWaalsContact O-N 3.13Å; K26-R29 PolarHBondContact O-N 2.93Å; A27-R29 VanDerWaalsContact C-N 3.34Å; A27-R29 PolarHBondContact O-N 3.37Å; R29-K33 PolarHBondContact O-N 2.9Å; R29-K33 VanDerWaalsContact O-N 3.13Å
30F90.5Very high84.4Confident58 Ų5876.4 Ų76.425%0.25437%0.369SS..Hα-helixtrans-66.8-41.8177.4-79.4-72.1000111.8C11 I14 A15 K26 A27 Q28 K33 A34C11-F30 HydrophobicContact CB-CB 4.35Å; C11-F30 HydrophobicContact CB-CD1 4.44Å; C11-F30 WeakPolarHBondContact CB-O 3.44Å; C11-F30 WeakPolarHBondContact O-CB 3.4Å; I14-F30 HydrophobicContact CB-CD1 4.42Å; I14-F30 HydrophobicContact CB-CD2 4.43Å; I14-F30 HydrophobicContact CB-CG 4.35Å; I14-F30 HydrophobicContact CD1-CD1 4.35Å; I14-F30 HydrophobicContact CD1-CE1 4.05Å; I14-F30 HydrophobicContact CG2-CD1 4.21Å; I14-F30 HydrophobicContact CG2-CD2 3.61Å; I14-F30 HydrophobicContact CG2-CE1 4.12Å; I14-F30 HydrophobicContact CG2-CE2 3.54Å; I14-F30 HydrophobicContact CG2-CG 3.98Å; I14-F30 HydrophobicContact CG2-CZ 3.81Å; A15-F30 HydrophobicContact CB-CB 4.14Å; K26-F30 HydrophobicContact CD-CE2 4.36Å; K26-F30 HydrophobicContact CG-CD2 3.96Å; K26-F30 HydrophobicContact CG-CE2 3.68Å; K26-F30 WeakPolarHBondContact O-CD2 3.29Å; K26-F30 PolarHBondContact O-N 3.39Å; A27-F30 PolarHBondContact O-N 3.49Å; Q28-F30 PolarHBondContact O-N 3.34Å; F30-K33 WeakPolarHBondContact O-CB 3.34Å; F30-K33 PolarHBondContact O-N 2.88Å; F30-A34 PolarHBondContact O-N 3.27Å
31L90.1Very high84.5Confident0 Ų075.8 Ų75.80%037%0.371CS..Hα-helixtrans-67.3-38.2178.9-63.2162.1000112.7V12 A15 A27 Q28 K33 A34 E35 A43 L46 L47 I50V12-L31 HydrophobicContact CG2-CD2 4.14Å; A15-L31 HydrophobicContact CB-CD1 4.01Å; A15-L31 HydrophobicContact CB-CD2 3.64Å; A15-L31 HydrophobicContact CB-CG 3.48Å; A15-L31 VanDerWaalsContact CB-CG 3.48Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.28Å; A27-L31 PolarHBondContact O-N 3.17Å; Q28-L31 PolarHBondContact O-N 3.21Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.75Å; L31-A34 WeakPolarHBondContact O-CB 3.27Å; L31-A34 PolarHBondContact O-N 2.95Å; L31-E35 PolarHBondContact O-N 3.21Å; L31-A43 HydrophobicContact CD2-CB 4.17Å; L31-L46 HydrophobicContact CD1-CB 3.58Å; L31-L46 HydrophobicContact CD2-CB 3.84Å; L31-L46 HydrophobicContact CD2-CD1 3.81Å; L31-L46 HydrophobicContact CD2-CG 4.5Å; L31-L46 HydrophobicContact CG-CB 4.37Å; L31-L47 HydrophobicContact CB-CD1 3.92Å; L31-L47 HydrophobicContact CB-CD2 3.81Å; L31-L47 HydrophobicContact CB-CG 3.51Å; L31-L47 HydrophobicContact CD1-CD2 4.39Å; L31-L47 HydrophobicContact CD1-CG 4.16Å; L31-L47 HydrophobicContact CG-CG 4.46Å; L31-I50 HydrophobicContact CD1-CD1 3.41Å; L31-I50 VanDerWaalsContact CD1-CD1 3.41Å
32Q88.8Confident84.5Confident107 Ų10775 Ų7550%0.536%0.362SS..Hα-helixtrans-65-34.7173.4-74-151-41.500112.4Q28 K36 L47Q28-Q32 WeakPolarHBondContact O-CG 3.25Å; Q28-Q32 PolarHBondContact O-N 2.84Å; Q32-K36 PolarHBondContact O-N 3.29Å; Q32-L47 HydrophobicContact CG-CD1 4.08Å; Q32-L47 HydrophobicContact CG-CD2 3.79Å
33K88.8Confident85Confident97 Ų9774.4 Ų74.442%0.42236%0.355SS..Hα-helixtrans-66.1-45.5172.4-167.8-172.8179.8-144.50110.5E7 R29 F30 L31 E35 K36 L37E7-K33 IonicContact OE1-NZ 2.78Å; E7-K33 PolarHBondContact OE1-NZ 3.5Å; R29-K33 PolarHBondContact O-N 2.9Å; R29-K33 VanDerWaalsContact O-N 3.13Å; F30-K33 WeakPolarHBondContact O-CB 3.34Å; F30-K33 PolarHBondContact O-N 2.88Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.75Å; K33-E35 PolarHBondContact O-N 3.08Å; K33-K36 PolarHBondContact O-N 3.44Å; K33-L37 HydrophobicContact CD-CD1 4.36Å; K33-L37 HydrophobicContact CG-CD1 4Å; K33-L37 HydrophobicContact CG-CG 4.42Å; K33-L37 WeakPolarHBondContact O-CB 3.44Å; K33-L37 WeakPolarHBondContact O-CG 3.44Å; K33-L37 PolarHBondContact O-N 2.97Å
34A89.4Confident85.3Confident0 Ų078.1 Ų78.10%036%0.363CS..Hα-helixtrans-55.4-51.1176.400000110.7A8 C11 V12 F30 L31 K36 L37 Y38 A43A8-A34 HydrophobicContact CB-CB 4.18Å; C11-A34 HydrophobicContact CB-CB 3.69Å; V12-A34 HydrophobicContact CG2-CB 4.2Å; F30-A34 PolarHBondContact O-N 3.27Å; L31-A34 WeakPolarHBondContact O-CB 3.27Å; L31-A34 PolarHBondContact O-N 2.95Å; A34-K36 VanDerWaalsContact C-N 3.31Å; A34-K36 PolarHBondContact O-N 3.12Å; A34-L37 PolarHBondContact O-N 3.36Å; A34-L37 VanDerWaalsContact O-N 3.08Å; A34-Y38 CarbonylContact C-O 3.57Å; A34-Y38 CarbonylContact O-C 3.37Å; A34-Y38 PolarHBondContact O-N 3.45Å; A34-A43 HydrophobicContact CB-CB 4.04Å
35E86.5Confident85.6Confident71 Ų7177.6 Ų77.633%0.33237%0.365SS..Hα-helixtrans-60.5-37.4-178.9-162.7-176.798.600112.9L31 K33 Y38 R44L31-E35 PolarHBondContact O-N 3.21Å; K33-E35 PolarHBondContact O-N 3.08Å; E35-Y38 CarbonylContact O-C 3.59Å; E35-R44 WeakPolarHBondContact OE2-CG 3.43Å
36K86.4Confident85.7Confident194 Ų19471.4 Ų71.484%0.84334%0.337SS*.Hα-helixtrans-69.6-36174.1-93.2-179171.7178.60113.6Q32 K33 A34Q32-K36 PolarHBondContact O-N 3.29Å; K33-K36 PolarHBondContact O-N 3.44Å; A34-K36 VanDerWaalsContact C-N 3.31Å; A34-K36 PolarHBondContact O-N 3.12Å
37L86.8Confident85.7Confident44 Ų4466.5 Ų66.523%0.2332%0.316CS..Hα-helixtrans-77.2-47-179.2-74.8173.2000111.6N4 E7 A8 K33 A34N4-L37 PolarHBondContact ND2-O 2.96Å; E7-L37 HydrophobicContact CB-CD1 3.81Å; A8-L37 HydrophobicContact CB-CB 4.46Å; K33-L37 HydrophobicContact CD-CD1 4.36Å; K33-L37 HydrophobicContact CG-CD1 4Å; K33-L37 HydrophobicContact CG-CG 4.42Å; K33-L37 WeakPolarHBondContact O-CB 3.44Å; K33-L37 WeakPolarHBondContact O-CG 3.44Å; K33-L37 PolarHBondContact O-N 2.97Å; A34-L37 PolarHBondContact O-N 3.36Å; A34-L37 VanDerWaalsContact O-N 3.08Å
38Y84Confident85.3Confident95 Ų9572.7 Ų72.737%0.37335%0.345SS..SBendtrans-151.3117.1176-168.6-89.4000108.5R5 A34 E35 L40R5-Y38 HydrophobicContact CB-CD2 4.37Å; R5-Y38 HydrophobicContact CG-CD1 4.5Å; R5-Y38 HydrophobicContact CG-CE1 4.48Å; A34-Y38 CarbonylContact C-O 3.57Å; A34-Y38 CarbonylContact O-C 3.37Å; A34-Y38 PolarHBondContact O-N 3.45Å; E35-Y38 CarbonylContact O-C 3.59Å; Y38-L40 VanDerWaalsContact C-N 3.28Å; Y38-L40 HydrophobicContact CD1-CD2 3.37Å; Y38-L40 HydrophobicContact CD1-CG 3.72Å; Y38-L40 HydrophobicContact CE1-CD2 3.6Å; Y38-L40 HydrophobicContact CE1-CG 4.42Å; Y38-L40 PolarHBondContact O-N 3.43Å
39P81.3Confident84.8Confident100 Ų10070.8 Ų70.865%0.64934%0.336SS*.  trans-67.187.7-177.626.8-33.6000110.4
40L83Confident84.3Confident21 Ų2161.8 Ų61.811%0.1130%0.303CS..  trans-85128.7177.3-69.9174.9000109.6A8 E9 V12 Y38 S42 A43 R44A8-L40 HydrophobicContact CB-CD1 3.68Å; A8-L40 HydrophobicContact CB-CG 4.24Å; E9-L40 HydrophobicContact CG-CD1 4.15Å; V12-L40 HydrophobicContact CG2-CD1 3.95Å; Y38-L40 VanDerWaalsContact C-N 3.28Å; Y38-L40 HydrophobicContact CD1-CD2 3.37Å; Y38-L40 HydrophobicContact CD1-CG 3.72Å; Y38-L40 HydrophobicContact CE1-CD2 3.6Å; Y38-L40 HydrophobicContact CE1-CG 4.42Å; Y38-L40 PolarHBondContact O-N 3.43Å; L40-S42 PolarHBondContact O-N 3.22Å; L40-A43 HydrophobicContact CB-CB 3.92Å; L40-A43 PolarHBondContact O-N 2.96Å; L40-A43 VanDerWaalsContact O-N 3.08Å; L40-R44 PolarHBondContact O-N 3.42Å
41P80.4Confident83.6Confident104 Ų10464.8 Ų64.868%0.67532%0.319SS*.Hα-helixtrans-59.2-36.3174.721-29.3000111.6A43 R44 A45P41-A43 VanDerWaalsContact C-N 3.35Å; P41-A43 PolarHBondContact O-N 3.01Å; P41-R44 PolarHBondContact O-N 3.42Å; P41-A45 WeakPolarHBondContact O-CB 3.49Å; P41-A45 PolarHBondContact O-N 2.84Å
42S80Confident82.6Confident52 Ų5272.9 Ų72.936%0.36435%0.354SS..Hα-helixtrans-63.6-37.3175.9-390000112.7L40 L46L40-S42 PolarHBondContact O-N 3.22Å; S42-L46 VanDerWaalsContact O-CG 3.28Å; S42-L46 WeakPolarHBondContact O-CG 3.46Å; S42-L46 PolarHBondContact O-N 3.11Å; S42-L46 VanDerWaalsContact O-N 3.12Å
43A85.7Confident81.3Confident0 Ų070.2 Ų70.20%034%0.343CS..Hα-helixtrans-67.6-42.4178.400000111.4V12 L31 A34 L40 P41 L46 L47V12-A43 HydrophobicContact CG2-CB 3.85Å; L31-A43 HydrophobicContact CD2-CB 4.17Å; A34-A43 HydrophobicContact CB-CB 4.04Å; L40-A43 HydrophobicContact CB-CB 3.92Å; L40-A43 PolarHBondContact O-N 2.96Å; L40-A43 VanDerWaalsContact O-N 3.08Å; P41-A43 VanDerWaalsContact C-N 3.35Å; P41-A43 PolarHBondContact O-N 3.01Å; A43-L46 PolarHBondContact O-N 2.68Å; A43-L47 PolarHBondContact O-N 3.12Å
44R84.8Confident79.8Confident160 Ų16067.5 Ų67.560%0.60434%0.343SS*.Hα-helixtrans-66.4-44.3178.6-160176.7-169.8174.53.3111.9E35 L40 P41 L46 L47 E48E35-R44 WeakPolarHBondContact OE2-CG 3.43Å; L40-R44 PolarHBondContact O-N 3.42Å; P41-R44 PolarHBondContact O-N 3.42Å; R44-L46 VanDerWaalsContact C-N 3.35Å; R44-L46 PolarHBondContact O-N 3.25Å; R44-L47 WeakPolarHBondContact O-CB 3.44Å; R44-L47 PolarHBondContact O-N 3.24Å; R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 3.1Å
45A83.6Confident77.7Confident19 Ų1971.8 Ų71.816%0.15737%0.373CS..Hα-helixtrans-58.7-46.1175.300000111.6P41 L47 E48 I49 L104P41-A45 WeakPolarHBondContact O-CB 3.49Å; P41-A45 PolarHBondContact O-N 2.84Å; A45-L47 PolarHBondContact O-N 3.42Å; A45-E48 PolarHBondContact O-N 3.49Å; A45-I49 WeakPolarHBondContact O-CD1 3.49Å; A45-I49 WeakPolarHBondContact O-CG1 3.44Å; A45-I49 PolarHBondContact O-N 2.75Å; A45-L104 HydrophobicContact CB-CD1 4.49Å
46L82.1Confident75.8Confident4 Ų471.9 Ų71.92%0.02138%0.378CS..Hα-helixtrans-64.5-37.8176.8-70170.8000112.4V12 R16 L19 L31 S42 A43 R44 I49 I50 V100V12-L46 HydrophobicContact CG1-CD1 3.87Å; R16-L46 HydrophobicContact CG-CD1 4.12Å; L19-L46 HydrophobicContact CD1-CD2 4.26Å; L31-L46 HydrophobicContact CD1-CB 3.58Å; L31-L46 HydrophobicContact CD2-CB 3.84Å; L31-L46 HydrophobicContact CD2-CD1 3.81Å; L31-L46 HydrophobicContact CD2-CG 4.5Å; L31-L46 HydrophobicContact CG-CB 4.37Å; S42-L46 VanDerWaalsContact O-CG 3.28Å; S42-L46 WeakPolarHBondContact O-CG 3.46Å; S42-L46 PolarHBondContact O-N 3.11Å; S42-L46 VanDerWaalsContact O-N 3.12Å; A43-L46 PolarHBondContact O-N 2.68Å; R44-L46 VanDerWaalsContact C-N 3.35Å; R44-L46 PolarHBondContact O-N 3.25Å; L46-I49 PolarHBondContact O-N 2.71Å; L46-I50 VanDerWaalsContact O-CG1 3.25Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.37Å; L46-V100 HydrophobicContact CD2-CG1 3.62Å
47L84.3Confident73.8Confident10 Ų1067.7 Ų67.75%0.05238%0.38CS..Hα-helixtrans-61-48.4173.6-85.3165.3000111.9Q28 L31 Q32 A43 R44 A45 I49 I50 M51Q28-L47 HydrophobicContact CB-CD2 4.44Å; Q28-L47 HydrophobicContact CG-CD2 3.7Å; L31-L47 HydrophobicContact CB-CD1 3.92Å; L31-L47 HydrophobicContact CB-CD2 3.81Å; L31-L47 HydrophobicContact CB-CG 3.51Å; L31-L47 HydrophobicContact CD1-CD2 4.39Å; L31-L47 HydrophobicContact CD1-CG 4.16Å; L31-L47 HydrophobicContact CG-CG 4.46Å; Q32-L47 HydrophobicContact CG-CD1 4.08Å; Q32-L47 HydrophobicContact CG-CD2 3.79Å; A43-L47 PolarHBondContact O-N 3.12Å; R44-L47 WeakPolarHBondContact O-CB 3.44Å; R44-L47 PolarHBondContact O-N 3.24Å; A45-L47 PolarHBondContact O-N 3.42Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 PolarHBondContact O-N 3.29Å; L47-I50 PolarHBondContact O-N 2.99Å; L47-I50 VanDerWaalsContact O-N 3.17Å; L47-M51 WeakPolarHBondContact O-CG 3.33Å; L47-M51 PolarHBondContact O-N 3.3Å
48E79.9Confident71.8Confident130 Ų13068.2 Ų68.261%0.60740%0.396SS*.Hα-helixtrans-60.3-40.2178.3-72.1-150.187.600111.5R44 A45 M51 K52R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 3.1Å; A45-E48 PolarHBondContact O-N 3.49Å; E48-M51 PolarHBondContact O-N 2.94Å; E48-K52 WeakPolarHBondContact O-CB 3.3Å; E48-K52 PolarHBondContact O-N 2.88Å
49I75.9Confident69.8Low27 Ų2770 Ų7014%0.13841%0.412CS..Hα-helixtrans-67.4-38.6177.6-63.1161.2000111.3A45 L46 L47 N53 V100 A103A45-I49 WeakPolarHBondContact O-CD1 3.49Å; A45-I49 WeakPolarHBondContact O-CG1 3.44Å; A45-I49 PolarHBondContact O-N 2.75Å; L46-I49 PolarHBondContact O-N 2.71Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 PolarHBondContact O-N 3.29Å; I49-N53 WeakPolarHBondContact O-CB 3.43Å; I49-N53 PolarHBondContact O-N 3.36Å; I49-V100 HydrophobicContact CB-CG1 4.37Å; I49-V100 HydrophobicContact CD1-CG1 3.83Å; I49-V100 HydrophobicContact CG2-CB 3.99Å; I49-V100 HydrophobicContact CG2-CG1 3.84Å; I49-V100 HydrophobicContact CG2-CG2 3.33Å; I49-A103 HydrophobicContact CD1-CB 4.29Å
50I78.6Confident68.1Low4 Ų469.6 Ų69.62%0.02141%0.412CS..Hα-helixtrans-63.5-45.2173.7-69.6166.9000111L19 R24 A27 Q28 L31 L46 L47 G54L19-I50 HydrophobicContact CD1-CD1 4.27Å; L19-I50 HydrophobicContact CD1-CG1 4.44Å; L19-I50 HydrophobicContact CD2-CD1 3.83Å; L19-I50 HydrophobicContact CD2-CG1 3.71Å; L19-I50 HydrophobicContact CG-CD1 4.39Å; R24-I50 HydrophobicContact CB-CG2 4.28Å; R24-I50 HydrophobicContact CG-CG2 4.21Å; A27-I50 HydrophobicContact CB-CD1 3.8Å; Q28-I50 HydrophobicContact CB-CG2 4.28Å; L31-I50 HydrophobicContact CD1-CD1 3.41Å; L31-I50 VanDerWaalsContact CD1-CD1 3.41Å; L46-I50 VanDerWaalsContact O-CG1 3.25Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.37Å; L47-I50 PolarHBondContact O-N 2.99Å; L47-I50 VanDerWaalsContact O-N 3.17Å; I50-G54 VanDerWaalsContact O-CA 3.31Å; I50-G54 WeakPolarHBondContact O-CA 3.41Å; I50-G54 PolarHBondContact O-N 3.02Å
51M76.1Confident66.3Low122 Ų12273.3 Ų73.360%0.60144%0.437SS*.Hα-helixtrans-67.9-43.2-179.9-69.4179.672.200111.7L47 E48 S55L47-M51 WeakPolarHBondContact O-CG 3.33Å; L47-M51 PolarHBondContact O-N 3.3Å; E48-M51 PolarHBondContact O-N 2.94Å; M51-S55 PolarHBondContact O-N 3.25Å
52K68.4Low64.3Low169 Ų16975.7 Ų75.774%0.73544%0.439SS*.Hα-helixtrans-69.8-41.6-179.7-169.3173172.6-178.40111.9E48 S55E48-K52 WeakPolarHBondContact O-CB 3.3Å; E48-K52 PolarHBondContact O-N 2.88Å; K52-S55 PolarHBondContact O-N 3.42Å
53N61.9Low62.7Low51 Ų5179.1 Ų79.127%0.27346%0.461SS..Hα-helixtrans-83.6-24.5177.9-67.65000113R24 I49 S55 T56 Y92R24-N53 VanDerWaalsContact NH2-CB 3.32Å; I49-N53 WeakPolarHBondContact O-CB 3.43Å; I49-N53 PolarHBondContact O-N 3.36Å; N53-S55 PolarHBondContact O-N 2.89Å; N53-T56 PolarHBondContact O-N 2.89Å; N53-T56 PolarHBondContact O-OG1 3.32Å; N53-Y92 VanDerWaalsContact CB-OH 3.27Å; N53-Y92 WeakPolarHBondContact CB-OH 3.47Å; N53-Y92 PolarHBondContact ND2-OH 3.41Å
54G55.8Low60.5Low41 Ų4189.1 Ų89.142%0.42350%0.499SS..Hα-helixtrans-67.4-21.9169.100000112.8I50 T56I50-G54 VanDerWaalsContact O-CA 3.31Å; I50-G54 WeakPolarHBondContact O-CA 3.41Å; I50-G54 PolarHBondContact O-N 3.02Å; G54-T56 PolarHBondContact O-N 3.31Å
55S45.6Very low58.6Low89 Ų8991.3 Ų91.362%0.62251%0.513SS*.THydrogen-bonded Turntrans-77.729.2171.9-151.40000113.8M51 K52 N53 A57M51-S55 PolarHBondContact O-N 3.25Å; K52-S55 PolarHBondContact O-N 3.42Å; N53-S55 PolarHBondContact O-N 2.89Å; S55-A57 PolarHBondContact O-N 3.12Å
56T46.7Very low56.4Low73 Ų7395.9 Ų95.945%0.44854%0.541SS..THydrogen-bonded Turntrans-91.346.2157.9-47.10000110N53 G54 G58 N59N53-T56 PolarHBondContact O-N 2.89Å; N53-T56 PolarHBondContact O-OG1 3.32Å; G54-T56 PolarHBondContact O-N 3.31Å; T56-G58 VanDerWaalsContact C-N 3.35Å; T56-N59 HydrophobicContact CG2-CB 4.34Å
57A44.8Very low54.9Low106 Ų106101.5 Ų101.588%0.87658%0.581SS**THydrogen-bonded Turntrans-97.57.3151.800000111S55S55-A57 PolarHBondContact O-N 3.12Å
58G45.3Very low53.1Low56 Ų56104.1 Ų104.158%0.57761%0.61SS**  trans-118.8-0.2-17500000116.9T56 S60T56-G58 VanDerWaalsContact C-N 3.35Å; G58-S60 PolarHBondContact O-N 3.28Å
59N41.1Very low51.6Low131 Ų131104.2 Ų104.270%0.70163%0.625SS**  trans-8762.6172.4-155.552.1000111.2T56T56-N59 HydrophobicContact CG2-CB 4.34Å
60S46.7Very low50.1Low93 Ų93106.3 Ų106.365%0.6565%0.654SS**  trans-95.9105139.3175.90000107.4G58 H62G58-S60 PolarHBondContact O-N 3.28Å; S60-H62 VanDerWaalsContact C-N 3.3Å; S60-H62 PolarHBondContact OG-N 3.19Å
61P44.4Very low48.8Very low98 Ų98112.7 Ų112.764%0.63669%0.688SS**  trans-98.364.4147.836.3-23.5000107
62H39.8Very low47.7Very low155 Ų155114.3 Ų114.372%0.71869%0.694SS**  trans-126.951.7153.3-143.475.4000111.3S60 R64S60-H62 VanDerWaalsContact C-N 3.3Å; S60-H62 PolarHBondContact OG-N 3.19Å; H62-R64 PolarHBondContact O-N 3.46Å
63C46.4Very low46.3Very low123 Ų123111.3 Ų111.383%0.83169%0.694SS**  trans-83.493150.2-154.90000107.5
64R38.8Very low45.9Very low211 Ų211117.8 Ų117.880%0.79672%0.72SS**  -162.7100.4128.6-75.4-137.6-143.8-102.55.4107.7H62 P66H62-R64 PolarHBondContact O-N 3.46Å; R64-P66 WeakPolarHBondContact O-CD 3.43Å
65K44.3Very low45.4Very low206 Ų206122 Ų12290%0.89674%0.74SS**  trans-60.3123.5147.9-75.7176.6166.2-179.50107.2
66P37.9Very low45.3Very low115 Ų115123.4 Ų123.475%0.74774%0.74SS**  trans-85.5117.2135.831.3-22.2000106.4R64 G68R64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-G68 PolarHBondContact O-N 2.9Å
67S50.3Low44.8Very low122 Ų122124.7 Ų124.785%0.85375%0.751SS**  trans-45.3122.7157.340.50000110.3
68G46Very low45.1Very low64 Ų64125.1 Ų125.166%0.6674%0.743SS**  trans160.790.4169.700000115.2P66P66-G68 PolarHBondContact O-N 2.9Å
69S49.6Very low45.1Very low132 Ų132132 Ų13292%0.92376%0.757SS**  trans64.3132.6139.2-50.30000121.7
70G44.8Very low45Very low72 Ų72133 Ų13374%0.74276%0.762SS**  trans104.791.4160.100000112.8
71D49.4Very low44.4Very low137 Ų137133.1 Ų133.173%0.73376%0.763SS**  73.7118.684.5-163.3-114.1000113.9
72Q54.5Low43.7Very low156 Ų156134.4 Ų134.473%0.72977%0.77SS**  trans67.8103.2158-70.1-174.875.800120.7
73S38.4Very low43.9Very low106 Ų106132.9 Ų132.974%0.74178%0.776SS**  161.311699.1-74.50000111
74K54Low43.2Very low188 Ų188130.2 Ų130.282%0.81777%0.769SS**  trans-70.6156.2153.9-71.9-173.3173.2-178.50108.3
75P45.2Very low43.1Very low130 Ų130125.5 Ų125.584%0.84477%0.769SS**  -122.1139109.331.7-25.8000111.2
76N42.5Very low42.7Very low118 Ų118119.8 Ų119.863%0.63177%0.768SS**  trans-81.3171.2175.6-17235.5000110.8
77C37Very low42.9Very low99 Ų99122.5 Ų122.567%0.66977%0.771SS**  trans108.993.1154.4-59.30000114.7
78T51Low42.5Very low116 Ų116119.9 Ų119.971%0.71276%0.763SS**  84.7116.46559.50000114.4
79K45.4Very low42.4Very low200 Ų200120.5 Ų120.587%0.8777%0.77SS**  trans-172.191.114542-178.9178.6176.60105.7
80D38.4Very low42.4Very low152 Ų152121.8 Ų121.881%0.81376%0.758SS**  42.5105.887.7-158.2-84.5000112.9
81S33.6Very low42.7Very low96 Ų96120.4 Ų120.467%0.67175%0.745SS**  trans163.7120.8141.5-75.30000110.3
82T31Very low42.7Very low125 Ų125114.5 Ų114.577%0.76771%0.712SS**  trans76.9112.8138.7-46.70000118.6G84T82-G84 PolarHBondContact O-N 2.82Å
83S43.9Very low42.8Very low123 Ų123110.9 Ų110.986%0.8670%0.701SS**  trans10.3105134.6-45.30000115.8
84G31.2Very low43.5Very low66 Ų66114.4 Ų114.468%0.6870%0.703SS**  trans-167.7119.8166.400000107.6T82 G86T82-G84 PolarHBondContact O-N 2.82Å; G84-G86 PolarHBondContact O-N 3.08Å
85S37.4Very low43.6Very low113 Ų113111.6 Ų111.679%0.7970%0.696SS**  trans-26.8126.2165.5-67.40000110.9E87S85-E87 PolarHBondContact O-N 2.86Å
86G34.8Very low44.2Very low85 Ų85108.1 Ų108.188%0.87667%0.669SS**  trans-64.674.3168.800000110.1G84 G88G84-G86 PolarHBondContact O-N 3.08Å; G86-G88 PolarHBondContact O-N 3.25Å
87E43.3Very low45.1Very low173 Ų173103.6 Ų103.681%0.80865%0.646SS**  trans-67.278.2154.7-87.2-171.471.500106.3S85 G89S85-E87 PolarHBondContact O-N 2.86Å; E87-G89 PolarHBondContact O-N 3.46Å
88G40.7Very low46.3Very low67 Ų67101.8 Ų101.869%0.69163%0.629SS**  trans-66.983.2163.700000108G86 K90G86-G88 PolarHBondContact O-N 3.25Å; G88-K90 VanDerWaalsContact C-N 3.25Å; G88-K90 PolarHBondContact O-N 2.94Å
89G45.1Very low46.9Very low77 Ų7798 Ų9879%0.79461%0.614SS**  trans-56.981.3178.600000112.7E87E87-G89 PolarHBondContact O-N 3.46Å
90K49.8Very low47.6Very low158 Ų15888.8 Ų88.869%0.68757%0.574SS**  trans-10963.6156-54.9174.3-173-81.10105.9G88 Y92G88-K90 VanDerWaalsContact C-N 3.25Å; G88-K90 PolarHBondContact O-N 2.94Å; K90-Y92 PolarHBondContact O-N 3.22Å
91G49.1Very low48.9Very low44 Ų4485.8 Ų85.845%0.45456%0.558SS.*  trans-50.3127.3165.600000107.2T93G91-T93 PolarHBondContact O-N 3.33Å
92Y49.9Very low50.3Low13 Ų1389 Ų895%0.05156%0.555CS.*  trans-39.9114.6-178.5-126.2-81.4000109.1L19 R24 N53 K90 Q96 V97 V100L19-Y92 HydrophobicContact CD2-CD2 4Å; L19-Y92 HydrophobicContact CD2-CE2 3.85Å; R24-Y92 HydrophobicContact CG-CD2 3.62Å; R24-Y92 HydrophobicContact CG-CE2 3.85Å; R24-Y92 PolarHBondContact NH2-OH 2.96Å; N53-Y92 VanDerWaalsContact CB-OH 3.27Å; N53-Y92 WeakPolarHBondContact CB-OH 3.47Å; N53-Y92 PolarHBondContact ND2-OH 3.41Å; K90-Y92 PolarHBondContact O-N 3.22Å; Y92-Q96 VanDerWaalsContact CD1-C 3.43Å; Y92-Q96 HydrophobicContact CD1-CB 3.14Å; Y92-Q96 HydrophobicContact CD1-CG 4.36Å; Y92-Q96 HydrophobicContact CE1-CB 3.17Å; Y92-Q96 HydrophobicContact CE1-CG 4.4Å; Y92-Q96 VanDerWaalsContact CE1-O 3.29Å; Y92-Q96 WeakPolarHBondContact CE1-O 3.18Å; Y92-Q96 HydrophobicContact CG-CB 4.25Å; Y92-V97 HydrophobicContact CD1-CB 4.18Å; Y92-V97 HydrophobicContact CD1-CG2 3.39Å; Y92-V97 HydrophobicContact CE1-CG2 4.28Å; Y92-V97 HydrophobicContact CG-CG2 3.78Å; Y92-V100 HydrophobicContact CE1-CG2 3.58Å; Y92-V100 WeakPolarHBondContact OH-CG2 3.45Å
93T56.4Low51.7Low80 Ų8084.9 Ų84.949%0.49153%0.534SS..  trans-63.8143.5172.654.30000107.1G91 D95 Q96 V97G91-T93 PolarHBondContact O-N 3.33Å; T93-D95 PolarHBondContact O-N 3.38Å; T93-Q96 WeakPolarHBondContact O-CA 3.26Å; T93-Q96 WeakPolarHBondContact O-CB 3.47Å; T93-Q96 PolarHBondContact O-N 3.31Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.28Å; T93-V97 PolarHBondContact O-N 3.13Å
94K54.3Low52.4Low180 Ų18081.1 Ų81.178%0.78350%0.504SS*.Hα-helixtrans-50.2-32.8-177.1-177.9164.2172.5156.30113V97 D98K94-V97 PolarHBondContact O-N 3.24Å; K94-D98 WeakPolarHBondContact O-CB 3.42Å; K94-D98 PolarHBondContact O-N 3.47Å
95D56.3Low54Low128 Ų12886.9 Ų86.968%0.68451%0.505SS*.Hα-helixtrans-62.6-42.7172.9179.6-103.4000113.6T93 V97 D98 G99T93-D95 PolarHBondContact O-N 3.38Å; D95-V97 VanDerWaalsContact C-N 3.32Å; D95-V97 PolarHBondContact O-N 3.2Å; D95-D98 PolarHBondContact O-N 3.13Å; D95-G99 PolarHBondContact O-N 3.19Å
96Q57.7Low55.1Low57 Ų5786.9 Ų86.927%0.26650%0.496SS..Hα-helixtrans-64.1-41.3174.5-68.1-177.6-6.800109.7Y92 T93 D98 G99 V100Y92-Q96 VanDerWaalsContact CD1-C 3.43Å; Y92-Q96 HydrophobicContact CD1-CB 3.14Å; Y92-Q96 HydrophobicContact CD1-CG 4.36Å; Y92-Q96 HydrophobicContact CE1-CB 3.17Å; Y92-Q96 HydrophobicContact CE1-CG 4.4Å; Y92-Q96 VanDerWaalsContact CE1-O 3.29Å; Y92-Q96 WeakPolarHBondContact CE1-O 3.18Å; Y92-Q96 HydrophobicContact CG-CB 4.25Å; T93-Q96 WeakPolarHBondContact O-CA 3.26Å; T93-Q96 WeakPolarHBondContact O-CB 3.47Å; T93-Q96 PolarHBondContact O-N 3.31Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.28Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; Q96-G99 WeakPolarHBondContact O-CA 3.45Å; Q96-G99 PolarHBondContact O-N 3.43Å; Q96-V100 VanDerWaalsContact O-CG2 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.29Å; Q96-V100 PolarHBondContact O-N 3.1Å
97V59.9Low55.8Low23 Ų2389.5 Ų89.514%0.13949%0.489CS..Hα-helixtrans-66-40.5179.6-171.80000110.3Y92 T93 K94 D95 G99 V100 L101Y92-V97 HydrophobicContact CD1-CB 4.18Å; Y92-V97 HydrophobicContact CD1-CG2 3.39Å; Y92-V97 HydrophobicContact CE1-CG2 4.28Å; Y92-V97 HydrophobicContact CG-CG2 3.78Å; T93-V97 PolarHBondContact O-N 3.13Å; K94-V97 PolarHBondContact O-N 3.24Å; D95-V97 VanDerWaalsContact C-N 3.32Å; D95-V97 PolarHBondContact O-N 3.2Å; V97-G99 VanDerWaalsContact C-N 3.3Å; V97-G99 PolarHBondContact O-N 2.92Å; V97-V100 WeakPolarHBondContact O-CA 3.5Å; V97-V100 VanDerWaalsContact O-CB 3.3Å; V97-V100 WeakPolarHBondContact O-CB 3.33Å; V97-V100 PolarHBondContact O-N 3.18Å; V97-V100 VanDerWaalsContact O-N 3.08Å; V97-L101 PolarHBondContact O-N 3.21Å
98D63.8Low56Low61 Ų6189 Ų8933%0.32649%0.486SS..Hα-helixtrans-60.1-41.8173-167.4-109.5000111K94 D95 Q96 V100 L101 R102K94-D98 WeakPolarHBondContact O-CB 3.42Å; K94-D98 PolarHBondContact O-N 3.47Å; D95-D98 PolarHBondContact O-N 3.13Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.37Å; D98-L101 PolarHBondContact O-N 3.02Å; D98-L101 VanDerWaalsContact O-N 3.14Å; D98-R102 WeakPolarHBondContact O-CB 3.35Å; D98-R102 WeakPolarHBondContact O-CG 3.5Å; D98-R102 PolarHBondContact O-N 3Å; D98-R102 IonicContact OD1-CZ 3.13Å; D98-R102 IonicContact OD1-NE 2.74Å; D98-R102 PolarHBondContact OD1-NE 3.37Å; D98-R102 IonicContact OD1-NH2 2.8Å; D98-R102 PolarHBondContact OD1-NH2 3.02Å
99G63.4Low56.1Low38 Ų3896.2 Ų96.239%0.39250%0.502SS..Hα-helixtrans-58.3-38.4171.600000113.3D95 Q96 V97 A103D95-G99 PolarHBondContact O-N 3.19Å; Q96-G99 WeakPolarHBondContact O-CA 3.45Å; Q96-G99 PolarHBondContact O-N 3.43Å; V97-G99 VanDerWaalsContact C-N 3.3Å; V97-G99 PolarHBondContact O-N 2.92Å; G99-A103 VanDerWaalsContact O-CB 3.25Å; G99-A103 WeakPolarHBondContact O-CB 3.49Å; G99-A103 PolarHBondContact O-N 3.44Å
100V60Low56.7Low6 Ų697.2 Ų97.24%0.03649%0.487CS..Hα-helixtrans-64.7-46173.6-176.70000110.8L46 I49 Y92 Q96 V97 D98 A103 L104L46-V100 HydrophobicContact CD2-CG1 3.62Å; I49-V100 HydrophobicContact CB-CG1 4.37Å; I49-V100 HydrophobicContact CD1-CG1 3.83Å; I49-V100 HydrophobicContact CG2-CB 3.99Å; I49-V100 HydrophobicContact CG2-CG1 3.84Å; I49-V100 HydrophobicContact CG2-CG2 3.33Å; Y92-V100 HydrophobicContact CE1-CG2 3.58Å; Y92-V100 WeakPolarHBondContact OH-CG2 3.45Å; Q96-V100 VanDerWaalsContact O-CG2 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.29Å; Q96-V100 PolarHBondContact O-N 3.1Å; V97-V100 WeakPolarHBondContact O-CA 3.5Å; V97-V100 VanDerWaalsContact O-CB 3.3Å; V97-V100 WeakPolarHBondContact O-CB 3.33Å; V97-V100 PolarHBondContact O-N 3.18Å; V97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.37Å; V100-A103 PolarHBondContact O-N 3.01Å; V100-L104 WeakPolarHBondContact O-CB 3.36Å; V100-L104 PolarHBondContact O-N 3.29Å
101L65.1Low57Low89 Ų8994 Ų9447%0.46648%0.477SS..Hα-helixtrans-67-39.4-177.4-146.174.4000111.5V97 D98 L104 W105V97-L101 PolarHBondContact O-N 3.21Å; D98-L101 PolarHBondContact O-N 3.02Å; D98-L101 VanDerWaalsContact O-N 3.14Å; L101-L104 PolarHBondContact O-N 2.97Å; L101-W105 PolarHBondContact O-N 3.45Å
102R64.2Low57.5Low162 Ų16296.8 Ų96.861%0.61148%0.478SS*.Hα-helixtrans-67-42.9172.9-71.3-170.9-161.7-170.68.4112.3D98 L104 W105 I106D98-R102 WeakPolarHBondContact O-CB 3.35Å; D98-R102 WeakPolarHBondContact O-CG 3.5Å; D98-R102 PolarHBondContact O-N 3Å; D98-R102 IonicContact OD1-CZ 3.13Å; D98-R102 IonicContact OD1-NE 2.74Å; D98-R102 PolarHBondContact OD1-NE 3.37Å; D98-R102 IonicContact OD1-NH2 2.8Å; D98-R102 PolarHBondContact OD1-NH2 3.02Å; R102-L104 VanDerWaalsContact C-N 3.25Å; R102-L104 PolarHBondContact O-N 3.13Å; R102-W105 PolarHBondContact O-N 3.43Å; R102-W105 VanDerWaalsContact O-N 3.14Å; R102-I106 VanDerWaalsContact O-CG1 3.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.41Å; R102-I106 PolarHBondContact O-N 2.98Å
103A59.3Low57.9Low40 Ų40101.7 Ų101.733%0.33150%0.503SS..Hα-helixtrans-61.9-37.2176.800000111.6I49 G99 V100 I106 L107I49-A103 HydrophobicContact CD1-CB 4.29Å; G99-A103 VanDerWaalsContact O-CB 3.25Å; G99-A103 WeakPolarHBondContact O-CB 3.49Å; G99-A103 PolarHBondContact O-N 3.44Å; V100-A103 PolarHBondContact O-N 3.01Å; A103-I106 PolarHBondContact O-N 3.17Å; A103-L107 PolarHBondContact O-N 3.49Å
104L59Low58Low44 Ų44103.1 Ų103.123%0.2350%0.504CS..Hα-helixtrans-66-39.9173.9-164.771.6000111.6A45 V100 L101 R102 L107A45-L104 HydrophobicContact CB-CD1 4.49Å; V100-L104 WeakPolarHBondContact O-CB 3.36Å; V100-L104 PolarHBondContact O-N 3.29Å; L101-L104 PolarHBondContact O-N 2.97Å; R102-L104 VanDerWaalsContact C-N 3.25Å; R102-L104 PolarHBondContact O-N 3.13Å; L104-L107 PolarHBondContact O-N 3Å
105W64.6Low58.3Low186 Ų18697.9 Ų97.971%0.70549%0.485SS*.Hα-helixtrans-66.7-36.9176.8-164.173.5000113L101 R102 L107 E108L101-W105 PolarHBondContact O-N 3.45Å; R102-W105 PolarHBondContact O-N 3.43Å; R102-W105 VanDerWaalsContact O-N 3.14Å; W105-L107 PolarHBondContact O-N 2.73Å; W105-E108 PolarHBondContact O-N 2.78Å
106I61.1Low58.4Low114 Ų11495.8 Ų95.859%0.58547%0.471SS*.Hα-helixtrans-66.2-26.2176.6-68.3163.1000112R102 A103 E108R102-I106 VanDerWaalsContact O-CG1 3.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.41Å; R102-I106 PolarHBondContact O-N 2.98Å; A103-I106 PolarHBondContact O-N 3.17Å; I106-E108 VanDerWaalsContact C-N 3.28Å
107L49.2Very low58.5Low140 Ų14098.8 Ų98.873%0.73349%0.487SS*.THydrogen-bonded Turntrans-80.8-9.6178.3-131.977000113.3A103 L104 W105A103-L107 PolarHBondContact O-N 3.49Å; L104-L107 PolarHBondContact O-N 3Å; W105-L107 PolarHBondContact O-N 2.73Å
108E47.3Very low58.4Low162 Ų162105.1 Ų105.176%0.75752%0.515SS*.THydrogen-bonded Turntrans-106.511.6-176.1-158.6157.687.400113W105 I106W105-E108 PolarHBondContact O-N 2.78Å; I106-E108 VanDerWaalsContact C-N 3.28Å
109H43.3Very low57.9Low219 Ų219109.1 Ų109.1100%1.01453%0.533SS*.  trans-137.80174.8-127.173.1000111.3

Retrieved 109 of 109 residues in 76.5 ms (Link to these results)

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