X6RBN4_HUMAN Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession X6RBN4, Species HUMAN (Homo sapiens, Human), Gene ZDHHC12, Length 210 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
1M47.5Very low58.1Low243 Ų24399.5 Ų99.5100%1.19757%0.567SS**  0126.60-65.9165.8-178.900106.6
2A43.8Very low59.7Low53 Ų53100.3 Ų100.344%0.43857%0.567SS.*  trans-83.1124-174.500000109.6W4 A5A2-W4 VanDerWaalsContact CB-CD1 3.43Å; A2-W4 HydrophobicContact CB-CG 4.3Å; A2-W4 PolarHBondContact O-N 3.47Å; A2-A5 PolarHBondContact O-N 3.29Å
3P53.5Low60.8Low109 Ų109100.7 Ų100.771%0.70857%0.573SS**G310 helixtrans-64.3-11.9-171.622.3-32.1000114.4A5P3-A5 PolarHBondContact O-N 3.44Å
4W53.9Low61.6Low185 Ų18599.7 Ų99.770%0.70156%0.555SS**G310 helixtrans-76.2-16.4-178.959.9-101.6000114.5A2 L6 L7A2-W4 VanDerWaalsContact CB-CD1 3.43Å; A2-W4 HydrophobicContact CB-CG 4.3Å; A2-W4 PolarHBondContact O-N 3.47Å; W4-L6 PolarHBondContact O-N 3.43Å; W4-L7 PolarHBondContact O-N 3.17Å; W4-L7 VanDerWaalsContact O-N 3.13Å
5A54.9Low62.6Low52 Ų5296.3 Ų96.343%0.4354%0.538SS..G310 helixtrans-63.7-31.5178.600000112.5A2 P3 L7 S8A2-A5 PolarHBondContact O-N 3.29Å; P3-A5 PolarHBondContact O-N 3.44Å; A5-L7 VanDerWaalsContact C-N 3.29Å; A5-L7 PolarHBondContact O-N 3.39Å; A5-S8 PolarHBondContact O-OG 3.25Å
6L56.5Low64Low112 Ų11292.6 Ų92.659%0.58653%0.529SS*.G310 helixtrans-76-13.6177.4-65.1172.8000113.6W4 L121W4-L6 PolarHBondContact O-N 3.43Å; L6-L121 HydrophobicContact CD2-CD2 4.34Å
7L57.5Low64.9Low131 Ų13194.6 Ų94.669%0.68653%0.532SS*.G310 helixtrans-103.610.7-177.7-68.1164.1000112.9W4 A5W4-L7 PolarHBondContact O-N 3.17Å; W4-L7 VanDerWaalsContact O-N 3.13Å; A5-L7 VanDerWaalsContact C-N 3.29Å; A5-L7 PolarHBondContact O-N 3.39Å
8S65.9Low65.8Low40 Ų4092.6 Ų92.628%0.2852%0.522SS..  trans-60.3129.8174.2-50.40000109.2A5 G10 V11 L12A5-S8 PolarHBondContact O-OG 3.25Å; S8-G10 PolarHBondContact O-N 3.05Å; S8-G10 VanDerWaalsContact O-N 3.08Å; S8-V11 PolarHBondContact O-N 3.22Å; S8-L12 PolarHBondContact O-N 3.3Å
9P63.2Low67Low105 Ų10593.2 Ų93.268%0.68253%0.528SS*.Hα-helixtrans-53.8-34.8-177.2-27.333.4000113.6V13P9-V13 VanDerWaalsContact O-CG2 3.28Å; P9-V13 WeakPolarHBondContact O-CG2 3.28Å; P9-V13 PolarHBondContact O-N 2.88Å; P9-V13 VanDerWaalsContact O-N 3.08Å
10G68.7Low68.1Low33 Ų3393.7 Ų93.734%0.3453%0.529SS..Hα-helixtrans-68.6-36.917600000113.8S8 R14S8-G10 PolarHBondContact O-N 3.05Å; S8-G10 VanDerWaalsContact O-N 3.08Å; G10-R14 WeakPolarHBondContact O-CB 3.3Å; G10-R14 WeakPolarHBondContact O-CG 3.14Å; G10-R14 PolarHBondContact O-N 3.42Å
11V73.4Confident68.9Low31 Ų3192.3 Ų92.319%0.18852%0.522CS..Hα-helixtrans-68.8-44.6176.1175.20000109.6S8 R14 T15 E186S8-V11 PolarHBondContact O-N 3.22Å; V11-R14 PolarHBondContact O-N 3.22Å; V11-T15 HydrophobicContact CG1-CG2 4.2Å; V11-T15 WeakPolarHBondContact O-CB 3.24Å; V11-T15 WeakPolarHBondContact O-CG2 3.33Å; V11-T15 PolarHBondContact O-N 2.84Å; V11-T15 PolarHBondContact O-OG1 3.1Å; V11-E186 HydrophobicContact CG2-CB 4.37Å; V11-E186 HydrophobicContact CG2-CG 4.15Å
12L77.6Confident70.7Confident109 Ų10984.7 Ų84.757%0.57148%0.48SS*.Hα-helixtrans-64.3-42.1-179.4-172.566.5000113.1S8 T15 G16S8-L12 PolarHBondContact O-N 3.3Å; L12-T15 WeakPolarHBondContact CA-OG1 3.47Å; L12-T15 PolarHBondContact O-OG1 3.47Å; L12-G16 WeakPolarHBondContact O-CA 3.32Å; L12-G16 PolarHBondContact O-N 3.35Å
13V73.8Confident73.1Confident106 Ų10683.6 Ų83.664%0.64247%0.474SS*.Hα-helixtrans-68.2-39.1178.5171.80000111.1P9 H17P9-V13 VanDerWaalsContact O-CG2 3.28Å; P9-V13 WeakPolarHBondContact O-CG2 3.28Å; P9-V13 PolarHBondContact O-N 2.88Å; P9-V13 VanDerWaalsContact O-N 3.08Å; V13-H17 WeakPolarHBondContact O-CB 3.19Å; V13-H17 PolarHBondContact O-N 3.11Å
14R72.1Confident74.7Confident87 Ų8782.5 Ų82.533%0.32846%0.461SS..Hα-helixtrans-77.7-38.8-179.3-71.3-174.8-174.6134.5-0.4113.2G10 V11 G16 H17 T18 P183 E186G10-R14 WeakPolarHBondContact O-CB 3.3Å; G10-R14 WeakPolarHBondContact O-CG 3.14Å; G10-R14 PolarHBondContact O-N 3.42Å; V11-R14 PolarHBondContact O-N 3.22Å; R14-G16 VanDerWaalsContact C-N 3.32Å; R14-H17 PolarHBondContact O-N 2.97Å; R14-T18 VanDerWaalsContact O-CB 3.32Å; R14-T18 WeakPolarHBondContact O-CB 3.48Å; R14-T18 PolarHBondContact O-N 3.43Å; R14-T18 PolarHBondContact O-OG1 3.32Å; R14-P183 PolarHBondContact NH1-O 3.44Å; R14-E186 IonicContact CZ-OE1 2.84Å; R14-E186 IonicContact NH1-OE1 3.81Å; R14-E186 PolarHBondContact NH1-OE1 3.01Å; R14-E186 IonicContact NH2-OE1 2.61Å
15T76.7Confident76.1Confident49 Ų4977.3 Ų77.330%0.30145%0.45SS..Hα-helixtrans-65.4-40.2170.351.80000110.3V11 L12 T18 V19V11-T15 HydrophobicContact CG1-CG2 4.2Å; V11-T15 WeakPolarHBondContact O-CB 3.24Å; V11-T15 WeakPolarHBondContact O-CG2 3.33Å; V11-T15 PolarHBondContact O-N 2.84Å; V11-T15 PolarHBondContact O-OG1 3.1Å; L12-T15 WeakPolarHBondContact CA-OG1 3.47Å; L12-T15 PolarHBondContact O-OG1 3.47Å; T15-T18 PolarHBondContact O-N 2.97Å; T15-V19 VanDerWaalsContact O-CB 3.27Å; T15-V19 WeakPolarHBondContact O-CB 3.39Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 3.21Å
16G85.5Confident77.6Confident37 Ų3779.4 Ų79.438%0.38145%0.454SS..Hα-helixtrans-58.8-48.8173.300000112.8L12 R14 V19 L20L12-G16 WeakPolarHBondContact O-CA 3.32Å; L12-G16 PolarHBondContact O-N 3.35Å; R14-G16 VanDerWaalsContact C-N 3.32Å; G16-V19 PolarHBondContact O-N 3.01Å; G16-L20 WeakPolarHBondContact O-CB 3.42Å; G16-L20 PolarHBondContact O-N 3.26Å
17H78.4Confident79.1Confident126 Ų12678.4 Ų78.458%0.58345%0.452SS*.Hα-helixtrans-64.2-44.1177.8-172.6-125.7000111.7V13 R14 L20 T21V13-H17 WeakPolarHBondContact O-CB 3.19Å; V13-H17 PolarHBondContact O-N 3.11Å; R14-H17 PolarHBondContact O-N 2.97Å; H17-L20 PolarHBondContact O-N 3.44Å; H17-T21 WeakPolarHBondContact O-CB 3.49Å; H17-T21 PolarHBondContact O-N 3.16Å; H17-T21 PolarHBondContact O-OG1 3.47Å
18T80.8Confident80.4Confident58 Ų5877.5 Ų77.536%0.35645%0.447SS..Hα-helixtrans-61.1-52.1177-54.80000110.4R14 T15 L20 T21 W22R14-T18 VanDerWaalsContact O-CB 3.32Å; R14-T18 WeakPolarHBondContact O-CB 3.48Å; R14-T18 PolarHBondContact O-N 3.43Å; R14-T18 PolarHBondContact O-OG1 3.32Å; T15-T18 PolarHBondContact O-N 2.97Å; T18-L20 VanDerWaalsContact C-N 3.26Å; T18-L20 PolarHBondContact O-N 2.89Å; T18-T21 PolarHBondContact O-N 3Å; T18-W22 VanDerWaalsContact CG2-CD1 3.45Å; T18-W22 WeakPolarHBondContact O-CB 3.08Å; T18-W22 PolarHBondContact O-N 3.13Å
19V89.9Confident81.3Confident104 Ų10481.3 Ų81.363%0.6346%0.459SS*.Hα-helixtrans-59.1-38.4177.7171.20000111.4T15 G16 G23T15-V19 VanDerWaalsContact O-CB 3.27Å; T15-V19 WeakPolarHBondContact O-CB 3.39Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 3.21Å; G16-V19 PolarHBondContact O-N 3.01Å; V19-G23 WeakPolarHBondContact O-CA 3.29Å; V19-G23 PolarHBondContact O-N 3.42Å
20L89.3Confident82.2Confident104 Ų10480.4 Ų80.455%0.54545%0.448SS..Hα-helixtrans-67.9-47.3176.9-176.366.8000111.7G16 H17 T18 G23 I24G16-L20 WeakPolarHBondContact O-CB 3.42Å; G16-L20 PolarHBondContact O-N 3.26Å; H17-L20 PolarHBondContact O-N 3.44Å; T18-L20 VanDerWaalsContact C-N 3.26Å; T18-L20 PolarHBondContact O-N 2.89Å; L20-G23 PolarHBondContact O-N 3.21Å; L20-I24 HydrophobicContact CD1-CD1 3.97Å; L20-I24 HydrophobicContact CD1-CG1 4.3Å; L20-I24 HydrophobicContact CG-CD1 3.81Å; L20-I24 HydrophobicContact CG-CG1 4.48Å; L20-I24 WeakPolarHBondContact O-CB 3.36Å; L20-I24 WeakPolarHBondContact O-CD1 3.39Å; L20-I24 WeakPolarHBondContact O-CG1 3.34Å; L20-I24 PolarHBondContact O-N 3.46Å
21T84Confident82.9Confident64 Ų6483.3 Ų83.339%0.39345%0.452SS..Hα-helixtrans-62.4-48.2179.1-50.80000110.6H17 T18 I24 T25H17-T21 WeakPolarHBondContact O-CB 3.49Å; H17-T21 PolarHBondContact O-N 3.16Å; H17-T21 PolarHBondContact O-OG1 3.47Å; T18-T21 PolarHBondContact O-N 3Å; T21-I24 PolarHBondContact O-N 3.47Å; T21-T25 PolarHBondContact O-N 3.15Å; T21-T25 PolarHBondContact O-OG1 3.16Å
22W84.6Confident83Confident84 Ų8487 Ų8732%0.31847%0.471SS..Hα-helixtrans-67.9-35.8178.2-75.395.3000112.6T18 T25 L26 F105 V109 V207T18-W22 VanDerWaalsContact CG2-CD1 3.45Å; T18-W22 WeakPolarHBondContact O-CB 3.08Å; T18-W22 PolarHBondContact O-N 3.13Å; W22-T25 PolarHBondContact O-N 2.75Å; W22-L26 WeakPolarHBondContact O-CB 3.48Å; W22-L26 PolarHBondContact O-N 2.92Å; W22-F105 HydrophobicContact CZ3-CZ 4.47Å; W22-V109 HydrophobicContact CE3-CG1 3.95Å; W22-V109 HydrophobicContact CE3-CG2 4.42Å; W22-V109 HydrophobicContact CH2-CG1 4.37Å; W22-V109 HydrophobicContact CH2-CG2 4.01Å; W22-V109 HydrophobicContact CZ3-CB 4.36Å; W22-V109 HydrophobicContact CZ3-CG1 3.81Å; W22-V109 HydrophobicContact CZ3-CG2 3.55Å; W22-V207 HydrophobicContact CH2-CG1 3.96Å
23G94.3Very high82.8Confident30 Ų3084.4 Ų84.431%0.30946%0.46SS..Hα-helixtrans-65.2-43.3173.800000112.3V19 L20 L26 V27V19-G23 WeakPolarHBondContact O-CA 3.29Å; V19-G23 PolarHBondContact O-N 3.42Å; L20-G23 PolarHBondContact O-N 3.21Å; G23-L26 PolarHBondContact O-N 2.8Å; G23-V27 WeakPolarHBondContact O-CB 3.18Å; G23-V27 VanDerWaalsContact O-CG2 3.29Å; G23-V27 WeakPolarHBondContact O-CG2 3.4Å; G23-V27 PolarHBondContact O-N 3.46Å
24I88.6Confident82.8Confident85 Ų8584.2 Ų84.244%0.43646%0.455SS..Hα-helixtrans-63.1-46.4174.3-69.9165.9000110L20 T21 L26 V27 L28L20-I24 HydrophobicContact CD1-CD1 3.97Å; L20-I24 HydrophobicContact CD1-CG1 4.3Å; L20-I24 HydrophobicContact CG-CD1 3.81Å; L20-I24 HydrophobicContact CG-CG1 4.48Å; L20-I24 WeakPolarHBondContact O-CB 3.36Å; L20-I24 WeakPolarHBondContact O-CD1 3.39Å; L20-I24 WeakPolarHBondContact O-CG1 3.34Å; L20-I24 PolarHBondContact O-N 3.46Å; T21-I24 PolarHBondContact O-N 3.47Å; I24-L26 VanDerWaalsContact C-N 3.31Å; I24-L26 PolarHBondContact O-N 3.32Å; I24-V27 PolarHBondContact O-N 3.31Å; I24-L28 HydrophobicContact CG2-CD1 3.71Å; I24-L28 HydrophobicContact CG2-CG 4.09Å; I24-L28 WeakPolarHBondContact O-CB 3.18Å; I24-L28 VanDerWaalsContact O-CG 3.23Å; I24-L28 WeakPolarHBondContact O-CG 3.49Å; I24-L28 PolarHBondContact O-N 3.47Å
25T82.4Confident82.7Confident76 Ų7685.3 Ų85.347%0.46646%0.463SS..Hα-helixtrans-58.7-43176.9-59.40000111.8T21 W22 L28 F29T21-T25 PolarHBondContact O-N 3.15Å; T21-T25 PolarHBondContact O-OG1 3.16Å; W22-T25 PolarHBondContact O-N 2.75Å; T25-L28 PolarHBondContact O-N 3.36Å; T25-F29 WeakPolarHBondContact O-CB 3.39Å; T25-F29 PolarHBondContact O-N 2.7Å
26L87.6Confident82.6Confident96 Ų9686 Ų8650%0.50347%0.469SS..Hα-helixtrans-64.8-45.2176.6-17866.1000112.1W22 G23 I24 L28 F29 L30W22-L26 WeakPolarHBondContact O-CB 3.48Å; W22-L26 PolarHBondContact O-N 2.92Å; G23-L26 PolarHBondContact O-N 2.8Å; I24-L26 VanDerWaalsContact C-N 3.31Å; I24-L26 PolarHBondContact O-N 3.32Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-F29 PolarHBondContact O-N 3.07Å; L26-L30 HydrophobicContact CD1-CD1 4.35Å; L26-L30 HydrophobicContact CD1-CG 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.09Å; L26-L30 WeakPolarHBondContact O-CB 3.44Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 3.21Å
27V87.9Confident81.8Confident92 Ų9286.3 Ų86.356%0.55847%0.468SS*.Hα-helixtrans-63.8-41.1177.51690000111G23 I24 L30 H31G23-V27 WeakPolarHBondContact O-CB 3.18Å; G23-V27 VanDerWaalsContact O-CG2 3.29Å; G23-V27 WeakPolarHBondContact O-CG2 3.4Å; G23-V27 PolarHBondContact O-N 3.46Å; I24-V27 PolarHBondContact O-N 3.31Å; V27-L30 PolarHBondContact O-N 2.99Å; V27-H31 VanDerWaalsContact O-CB 3.24Å; V27-H31 WeakPolarHBondContact O-CB 3.32Å; V27-H31 PolarHBondContact O-N 3.44Å
28L83.3Confident81.4Confident112 Ų11285.2 Ų85.259%0.58647%0.467SS*.Hα-helixtrans-65-42176.7-71.8175.8000111.3I24 T25 L26 H31 D32I24-L28 HydrophobicContact CG2-CD1 3.71Å; I24-L28 HydrophobicContact CG2-CG 4.09Å; I24-L28 WeakPolarHBondContact O-CB 3.18Å; I24-L28 VanDerWaalsContact O-CG 3.23Å; I24-L28 WeakPolarHBondContact O-CG 3.49Å; I24-L28 PolarHBondContact O-N 3.47Å; T25-L28 PolarHBondContact O-N 3.36Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-H31 PolarHBondContact O-N 3.49Å; L28-D32 WeakPolarHBondContact O-CB 3.48Å; L28-D32 PolarHBondContact O-N 2.76Å
29F85.8Confident81Confident119 Ų11989.2 Ų89.252%0.52248%0.481SS..Hα-helixtrans-62.2-47.2174.9-176.9-95.4000111.6T25 L26 H31 D32 T33T25-F29 WeakPolarHBondContact O-CB 3.39Å; T25-F29 PolarHBondContact O-N 2.7Å; L26-F29 PolarHBondContact O-N 3.07Å; F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 PolarHBondContact O-N 3.02Å; F29-D32 PolarHBondContact O-N 2.93Å; F29-D32 VanDerWaalsContact O-N 3.16Å; F29-T33 HydrophobicContact CD1-CG2 4.35Å; F29-T33 HydrophobicContact CE1-CG2 4.02Å; F29-T33 HydrophobicContact CZ-CG2 4.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.09Å; F29-T33 PolarHBondContact O-N 3.17Å; F29-T33 PolarHBondContact O-OG1 3.42Å
30L82.4Confident79.7Confident86 Ų8688.2 Ų88.245%0.4547%0.472SS..Hα-helixtrans-64.3-38177.2-70.2173.2000112.4L26 V27 D32 T33 D34L26-L30 HydrophobicContact CD1-CD1 4.35Å; L26-L30 HydrophobicContact CD1-CG 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.09Å; L26-L30 WeakPolarHBondContact O-CB 3.44Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 3.21Å; V27-L30 PolarHBondContact O-N 2.99Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-T33 VanDerWaalsContact C-OG1 3.32Å; L30-T33 VanDerWaalsContact CA-OG1 3.29Å; L30-T33 WeakPolarHBondContact CA-OG1 3.3Å; L30-T33 PolarHBondContact O-N 3.37Å; L30-T33 PolarHBondContact O-OG1 2.94Å; L30-D34 PolarHBondContact O-N 3.44Å
31H82.4Confident78.7Confident94 Ų9488.7 Ų88.744%0.43547%0.474SS..Hα-helixtrans-67.1-36174.6-169.3-34.9000111.1V27 L28 F29 D34 K35V27-H31 VanDerWaalsContact O-CB 3.24Å; V27-H31 WeakPolarHBondContact O-CB 3.32Å; V27-H31 PolarHBondContact O-N 3.44Å; L28-H31 PolarHBondContact O-N 3.49Å; F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 PolarHBondContact O-N 3.02Å; H31-D34 PolarHBondContact O-N 2.86Å; H31-K35 WeakPolarHBondContact CE1-CE 3.26Å; H31-K35 PolarHBondContact CE1-NZ 2.88Å; H31-K35 PolarHBondContact ND1-NZ 2.78Å; H31-K35 WeakPolarHBondContact O-CB 3.14Å; H31-K35 WeakPolarHBondContact O-CG 3.24Å; H31-K35 PolarHBondContact O-N 3.25Å
32D76.4Confident77.8Confident109 Ų10987.8 Ų87.858%0.58347%0.474SS*.Hα-helixtrans-69-38.1176.4-150.550.4000111L28 F29 L30 D34 K35 S36L28-D32 WeakPolarHBondContact O-CB 3.48Å; L28-D32 PolarHBondContact O-N 2.76Å; F29-D32 PolarHBondContact O-N 2.93Å; F29-D32 VanDerWaalsContact O-N 3.16Å; L30-D32 VanDerWaalsContact C-N 3.32Å; D32-D34 VanDerWaalsContact C-N 3.35Å; D32-D34 PolarHBondContact O-N 2.97Å; D32-K35 PolarHBondContact O-N 3.11Å; D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 3.04Å; D32-S36 PolarHBondContact O-OG 3.48Å
33T73Confident76.8Confident54 Ų5487.9 Ų87.933%0.33148%0.483SS..Hα-helixtrans-62.8-40.817157.80000111.7F29 L30 S36 A37F29-T33 HydrophobicContact CD1-CG2 4.35Å; F29-T33 HydrophobicContact CE1-CG2 4.02Å; F29-T33 HydrophobicContact CZ-CG2 4.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.09Å; F29-T33 PolarHBondContact O-N 3.17Å; F29-T33 PolarHBondContact O-OG1 3.42Å; L30-T33 VanDerWaalsContact C-OG1 3.32Å; L30-T33 VanDerWaalsContact CA-OG1 3.29Å; L30-T33 WeakPolarHBondContact CA-OG1 3.3Å; L30-T33 PolarHBondContact O-N 3.37Å; L30-T33 PolarHBondContact O-OG1 2.94Å; T33-S36 WeakPolarHBondContact CA-OG 3.45Å; T33-S36 PolarHBondContact O-N 3.42Å; T33-S36 PolarHBondContact O-OG 2.81Å; T33-A37 WeakPolarHBondContact O-CB 3.28Å; T33-A37 PolarHBondContact O-N 3.13Å
34D74.1Confident75Confident102 Ų10290.7 Ų90.755%0.54549%0.488SS..Hα-helixtrans-67.6-42.9176.9-76.3-8.9000112L30 H31 D32 S36 A37 D38L30-D34 PolarHBondContact O-N 3.44Å; H31-D34 PolarHBondContact O-N 2.86Å; D32-D34 VanDerWaalsContact C-N 3.35Å; D32-D34 PolarHBondContact O-N 2.97Å; D34-S36 VanDerWaalsContact C-N 3.32Å; D34-S36 PolarHBondContact O-N 3.2Å; D34-A37 WeakPolarHBondContact O-CB 3.46Å; D34-A37 PolarHBondContact O-N 3.04Å; D34-A37 VanDerWaalsContact O-N 3.15Å; D34-D38 PolarHBondContact O-N 3.2Å
35K69.3Low73.6Confident111 Ų11189.3 Ų89.348%0.48349%0.486SS..Hα-helixtrans-61.5-41.7174.9-81.1-177.5179.3112.60111.6H31 D32 A37 D38 E39H31-K35 WeakPolarHBondContact CE1-CE 3.26Å; H31-K35 PolarHBondContact CE1-NZ 2.88Å; H31-K35 PolarHBondContact ND1-NZ 2.78Å; H31-K35 WeakPolarHBondContact O-CB 3.14Å; H31-K35 WeakPolarHBondContact O-CG 3.24Å; H31-K35 PolarHBondContact O-N 3.25Å; D32-K35 PolarHBondContact O-N 3.11Å; K35-A37 VanDerWaalsContact C-N 3.29Å; K35-A37 PolarHBondContact O-N 2.9Å; K35-D38 PolarHBondContact O-N 3.39Å; K35-E39 WeakPolarHBondContact O-CB 3.4Å; K35-E39 PolarHBondContact O-N 3.1Å
36S73.6Confident72.2Confident62 Ų6292 Ų9243%0.43449%0.493SS..Hα-helixtrans-63.3-38176.175.60000111.4D32 T33 D34 L40D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 3.04Å; D32-S36 PolarHBondContact O-OG 3.48Å; T33-S36 WeakPolarHBondContact CA-OG 3.45Å; T33-S36 PolarHBondContact O-N 3.42Å; T33-S36 PolarHBondContact O-OG 2.81Å; D34-S36 VanDerWaalsContact C-N 3.32Å; D34-S36 PolarHBondContact O-N 3.2Å; S36-L40 WeakPolarHBondContact O-CB 3.07Å; S36-L40 WeakPolarHBondContact O-CD1 3.44Å; S36-L40 WeakPolarHBondContact O-CG 3.48Å; S36-L40 PolarHBondContact O-N 3.18Å; S36-L40 VanDerWaalsContact O-N 3.17Å
37A69.1Low70.7Confident44 Ų4490.3 Ų90.336%0.36449%0.489SS..Hα-helixtrans-67.4-42.6174.700000112.3T33 D34 K35 L40 L41T33-A37 WeakPolarHBondContact O-CB 3.28Å; T33-A37 PolarHBondContact O-N 3.13Å; D34-A37 WeakPolarHBondContact O-CB 3.46Å; D34-A37 PolarHBondContact O-N 3.04Å; D34-A37 VanDerWaalsContact O-N 3.15Å; K35-A37 VanDerWaalsContact C-N 3.29Å; K35-A37 PolarHBondContact O-N 2.9Å; A37-L40 PolarHBondContact O-N 3.01Å; A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.47Å
38D70.6Confident68.9Low104 Ų10493.1 Ų93.156%0.55649%0.49SS*.Hα-helixtrans-65.8-39178.1-76.9-21.7000112.4D34 K35 L40 L41 A42D34-D38 PolarHBondContact O-N 3.2Å; K35-D38 PolarHBondContact O-N 3.39Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L41 PolarHBondContact O-N 3.04Å; D38-A42 WeakPolarHBondContact O-CB 3.48Å; D38-A42 PolarHBondContact O-N 3.21Å
39E71.9Confident67.7Low141 Ų14192 Ų9266%0.65949%0.485SS*.Hα-helixtrans-68.7-34.6177.7-167.4160.1-176.300111.8K35 A42 T43K35-E39 WeakPolarHBondContact O-CB 3.4Å; K35-E39 PolarHBondContact O-N 3.1Å; E39-A42 PolarHBondContact O-N 3.01Å; E39-T43 WeakPolarHBondContact O-CG2 3.21Å; E39-T43 PolarHBondContact O-N 2.98Å; E39-T43 PolarHBondContact O-OG1 2.7Å
40L63.4Low66.4Low83 Ų8393.1 Ų93.144%0.43549%0.492SS..Hα-helixtrans-67.3-39170.8-71169.3000112.1S36 A37 D38 T43 H44 W93S36-L40 WeakPolarHBondContact O-CB 3.07Å; S36-L40 WeakPolarHBondContact O-CD1 3.44Å; S36-L40 WeakPolarHBondContact O-CG 3.48Å; S36-L40 PolarHBondContact O-N 3.18Å; S36-L40 VanDerWaalsContact O-N 3.17Å; A37-L40 PolarHBondContact O-N 3.01Å; D38-L40 VanDerWaalsContact C-N 3.34Å; L40-T43 WeakPolarHBondContact CA-OG1 3.47Å; L40-T43 PolarHBondContact O-OG1 3.49Å; L40-H44 WeakPolarHBondContact O-CB 3.48Å; L40-H44 PolarHBondContact O-N 2.91Å; L40-H44 VanDerWaalsContact O-N 3.13Å; L40-W93 HydrophobicContact CD1-CZ3 4.05Å; L40-W93 HydrophobicContact CD2-CH2 4.08Å; L40-W93 HydrophobicContact CD2-CZ3 3.97Å
41L67.4Low65.1Low114 Ų11494.7 Ų94.760%0.59750%0.497SS*.Hα-helixtrans-67.4-38.5174.3-72.2169.3000111.9A37 D38 H44 S45A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.47Å; D38-L41 PolarHBondContact O-N 3.04Å; L41-H44 PolarHBondContact O-N 3.36Å; L41-S45 PolarHBondContact O-N 3.16Å
42A65.6Low63.8Low46 Ų4695.3 Ų95.338%0.3850%0.502SS..Hα-helixtrans-66.5-44.917800000112.1D38 E39 H44 S45 H46D38-A42 WeakPolarHBondContact O-CB 3.48Å; D38-A42 PolarHBondContact O-N 3.21Å; E39-A42 PolarHBondContact O-N 3.01Å; A42-H44 VanDerWaalsContact C-N 3.34Å; A42-H44 PolarHBondContact O-N 3.37Å; A42-S45 PolarHBondContact O-N 2.89Å; A42-S45 PolarHBondContact O-OG 3.48Å; A42-H46 PolarHBondContact O-CD2 3.15Å; A42-H46 PolarHBondContact O-N 2.85Å; A42-H46 VanDerWaalsContact O-N 3.15Å
43T64.3Low62.8Low85 Ų8596.5 Ų96.552%0.52150%0.504SS..Hα-helixtrans-63.7-37.7176.345.50000112.2E39 L40 H46 S47E39-T43 WeakPolarHBondContact O-CG2 3.21Å; E39-T43 PolarHBondContact O-N 2.98Å; E39-T43 PolarHBondContact O-OG1 2.7Å; L40-T43 WeakPolarHBondContact CA-OG1 3.47Å; L40-T43 PolarHBondContact O-OG1 3.49Å; T43-H46 PolarHBondContact O-N 3.39Å; T43-S47 PolarHBondContact O-N 2.97Å
44H56.7Low61.8Low89 Ų8997.2 Ų97.241%0.41252%0.516SS..Hα-helixtrans-67.1-38.4174.2-168.5-112.7000112.7L40 L41 A42 H46 S47 W48L40-H44 WeakPolarHBondContact O-CB 3.48Å; L40-H44 PolarHBondContact O-N 2.91Å; L40-H44 VanDerWaalsContact O-N 3.13Å; L41-H44 PolarHBondContact O-N 3.36Å; A42-H44 VanDerWaalsContact C-N 3.34Å; A42-H44 PolarHBondContact O-N 3.37Å; H44-H46 VanDerWaalsContact C-N 3.33Å; H44-H46 PolarHBondContact O-N 2.91Å; H44-S47 PolarHBondContact O-N 3.47Å; H44-W48 AromaticContact CE1-CD1 3.47Å; H44-W48 VanDerWaalsContact CE1-CD1 3.47Å; H44-W48 AromaticContact CE1-NE1 3.11Å; H44-W48 PolarHBondContact CE1-NE1 2.98Å; H44-W48 AromaticContact ND1-CD1 3.72Å; H44-W48 AromaticContact ND1-NE1 3.84Å; H44-W48 AromaticContact NE2-CD1 3.77Å; H44-W48 AromaticContact NE2-NE1 3.35Å; H44-W48 PolarHBondContact NE2-NE1 3.41Å; H44-W48 PolarHBondContact O-N 2.89Å; H44-W48 VanDerWaalsContact O-N 3.16Å
45S57.7Low60.8Low56 Ų56100.8 Ų100.839%0.39253%0.527SS..Hα-helixtrans-64.4-35.2175.780.40000113.3L41 A42 N49L41-S45 PolarHBondContact O-N 3.16Å; A42-S45 PolarHBondContact O-N 2.89Å; A42-S45 PolarHBondContact O-OG 3.48Å; S45-N49 PolarHBondContact O-N 3.05Å; S45-N49 PolarHBondContact O-ND2 2.99Å
46H54.7Low59.9Low133 Ų13399 Ų9962%0.61653%0.533SS*.Hα-helixtrans-69.7-36.9175.8-89.8-74.3000112.6A42 T43 H44 N49 Q50A42-H46 PolarHBondContact O-CD2 3.15Å; A42-H46 PolarHBondContact O-N 2.85Å; A42-H46 VanDerWaalsContact O-N 3.15Å; T43-H46 PolarHBondContact O-N 3.39Å; H44-H46 VanDerWaalsContact C-N 3.33Å; H44-H46 PolarHBondContact O-N 2.91Å; H46-N49 PolarHBondContact O-N 3.48Å; H46-Q50 PolarHBondContact O-N 3.32Å
47S55.5Low58.5Low60 Ų60103.7 Ų103.742%0.4255%0.548SS..Hα-helixtrans-63.4-44.8174.4177.20000112.3T43 H44 N49 Q50 H51T43-S47 PolarHBondContact O-N 2.97Å; H44-S47 PolarHBondContact O-N 3.47Å; S47-N49 PolarHBondContact O-N 3.44Å; S47-Q50 PolarHBondContact O-N 3.4Å; S47-H51 PolarHBondContact O-N 3.27Å; S47-H51 VanDerWaalsContact O-N 3.17Å
48W50.7Low57.7Low152 Ų152107.5 Ų107.558%0.57657%0.569SS**Hα-helixtrans-62.3-39.9176.3-89.294.9000113.2H44 Q50 H51 L52H44-W48 AromaticContact CE1-CD1 3.47Å; H44-W48 VanDerWaalsContact CE1-CD1 3.47Å; H44-W48 AromaticContact CE1-NE1 3.11Å; H44-W48 PolarHBondContact CE1-NE1 2.98Å; H44-W48 AromaticContact ND1-CD1 3.72Å; H44-W48 AromaticContact ND1-NE1 3.84Å; H44-W48 AromaticContact NE2-CD1 3.77Å; H44-W48 AromaticContact NE2-NE1 3.35Å; H44-W48 PolarHBondContact NE2-NE1 3.41Å; H44-W48 PolarHBondContact O-N 2.89Å; H44-W48 VanDerWaalsContact O-N 3.16Å; W48-Q50 VanDerWaalsContact C-N 3.33Å; W48-Q50 PolarHBondContact O-N 2.86Å; W48-H51 PolarHBondContact O-N 3.46Å; W48-L52 WeakPolarHBondContact O-CG 3.48Å; W48-L52 PolarHBondContact O-N 3.29Å
49N57Low56.9Low89 Ų89105.9 Ų105.948%0.47658%0.577SS.*Hα-helixtrans-66.6-32.5177.4-80.7-32000112.8S45 H46 S47 Q53S45-N49 PolarHBondContact O-N 3.05Å; S45-N49 PolarHBondContact O-ND2 2.99Å; H46-N49 PolarHBondContact O-N 3.48Å; S47-N49 PolarHBondContact O-N 3.44Å; N49-Q53 VanDerWaalsContact O-CG 3.3Å; N49-Q53 WeakPolarHBondContact O-CG 3.27Å; N49-Q53 PolarHBondContact O-N 3.29Å
50Q57.9Low55.4Low141 Ų141105.3 Ų105.366%0.65958%0.583SS**Hα-helixtrans-69-38.6172.9-76.9-179.2-8.900112.3H46 S47 W48 Q53 A54H46-Q50 PolarHBondContact O-N 3.32Å; S47-Q50 PolarHBondContact O-N 3.4Å; W48-Q50 VanDerWaalsContact C-N 3.33Å; W48-Q50 PolarHBondContact O-N 2.86Å; Q50-Q53 PolarHBondContact O-N 3.18Å; Q50-A54 PolarHBondContact O-N 2.9Å
51H55.4Low54.5Low120 Ų120110.6 Ų110.656%0.55661%0.605SS**Hα-helixtrans-66.9-40.2176.4-98.8-108.2000112.8S47 W48 Q53 A54 F55S47-H51 PolarHBondContact O-N 3.27Å; S47-H51 VanDerWaalsContact O-N 3.17Å; W48-H51 PolarHBondContact O-N 3.46Å; H51-Q53 VanDerWaalsContact C-N 3.31Å; H51-Q53 PolarHBondContact O-N 3.41Å; H51-A54 PolarHBondContact O-N 2.89Å; H51-F55 VanDerWaalsContact O-CD2 3.28Å; H51-F55 WeakPolarHBondContact O-CD2 3.23Å
52L55.8Low53.1Low106 Ų106114.5 Ų114.556%0.55562%0.618SS**Hα-helixtrans-66.9-30.7177.6-72.5169.5000112.9W48 A54 F55W48-L52 WeakPolarHBondContact O-CG 3.48Å; W48-L52 PolarHBondContact O-N 3.29Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-F55 PolarHBondContact O-N 3.26Å
53Q55.5Low52Low134 Ų134118 Ų11863%0.62664%0.637SS**Hα-helixtrans-71.8-24.3175-72.3173.45.100113.2N49 Q50 H51N49-Q53 VanDerWaalsContact O-CG 3.3Å; N49-Q53 WeakPolarHBondContact O-CG 3.27Å; N49-Q53 PolarHBondContact O-N 3.29Å; Q50-Q53 PolarHBondContact O-N 3.18Å; H51-Q53 VanDerWaalsContact C-N 3.31Å; H51-Q53 PolarHBondContact O-N 3.41Å
54A51.7Low51.1Low70 Ų70120.5 Ų120.558%0.57965%0.652SS**Hα-helixtrans-73.4-26.9175.700000113.3Q50 H51 L52Q50-A54 PolarHBondContact O-N 2.9Å; H51-A54 PolarHBondContact O-N 2.89Å; L52-A54 VanDerWaalsContact C-N 3.33Å
55F52.4Low50.3Low176 Ų176121.8 Ų121.877%0.77267%0.671SS**THydrogen-bonded Turntrans-86.8-6.3177.5-73.1-75.5000114.1H51 L52H51-F55 VanDerWaalsContact O-CD2 3.28Å; H51-F55 WeakPolarHBondContact O-CD2 3.23Å; L52-F55 PolarHBondContact O-N 3.26Å
56A50.9Low49.7Very low73 Ų73127 Ų12760%0.60369%0.694SS**THydrogen-bonded Turntrans-101.426.1-178.400000113.5P58A56-P58 WeakPolarHBondContact O-CD 3.44Å
57Q45.4Very low48.8Very low161 Ų161126.7 Ų126.775%0.75271%0.706SS**  trans-88.2112.8172.8-66.2-69.2-44.300110.1
58P51.7Low48.1Very low125 Ų125130.1 Ų130.181%0.81273%0.725SS**  trans-84.9122.7176.331.7-28000110.6A56A56-P58 WeakPolarHBondContact O-CD 3.44Å
59G53.1Low47.5Very low70 Ų70128.9 Ų128.972%0.72274%0.736SS**  trans104.797154.700000116.2
60T40Very low46.7Very low129 Ų129131.1 Ų131.179%0.79175%0.753SS**  trans-135.7122.514451.80000109
61H44.9Very low46.1Very low193 Ų193129.9 Ų129.989%0.89476%0.758SS**  trans-51.7138.8179.4-73.7-106.8000113.1
62F39.2Very low46Very low196 Ų196130 Ų13086%0.8677%0.769SS**  trans-113.3138161.1-93-86.2000109.7
63P41.4Very low45.3Very low120 Ų120131.6 Ų131.678%0.77978%0.783SS**  trans-79.1155177.732.8-31.4000111.9
64T45.3Very low44.9Very low137 Ų137130.6 Ų130.684%0.8479%0.788SS**  trans-64142.3-17350.10000115.2
65S40.3Very low45.1Very low116 Ų116134.2 Ų134.281%0.81180%0.803SS**  trans-148137142.459.50000111.3
66N45.2Very low44.7Very low165 Ų165133.4 Ų133.488%0.88281%0.806SS**  trans-69.4136.7-173.8-73.5-27.3000112.5
67C36Very low44.6Very low128 Ų128135.4 Ų135.487%0.86581%0.812SS**  trans-135.3120.1161.5-76.40000111
68T39.8Very low44.8Very low132 Ų132130.6 Ų130.681%0.8181%0.806SS**  trans-67.8152.1173-6.90000111.4
69P38.1Very low44.5Very low126 Ų126131 Ų13182%0.81881%0.809SS**  trans-83.6135.3-176.932-30.6000112.3
70T41.4Very low44.3Very low135 Ų135131.8 Ų131.883%0.82881%0.808SS**  trans-121.5154.616637.10000110.3
71P45.1Very low44.6Very low116 Ų116130.6 Ų130.675%0.75381%0.806SS**  trans-81.3169.1-164.134-35.4000113.8
72P52.9Low44.6Very low123 Ų123129 Ų12980%0.79980%0.803SS**  trans-90.4132.9-159.134.6-31.4000113.2
73T42Very low44.8Very low138 Ų138125 Ų12585%0.84780%0.797SS**  trans-157.6168.6153.948.40000109
74P46.9Very low45.3Very low114 Ų114123.9 Ų123.974%0.7479%0.793SS**  -107.4156.7-76.228.6-11.1000112.3
75V54.6Low45.8Very low146 Ų146122.6 Ų122.689%0.88579%0.787SS**  trans-0110.7165.9-172.10000116.9
76L45.2Very low46.5Very low158 Ų158120.2 Ų120.283%0.82777%0.774SS**PPolyproline II helixtrans-93.5151.1158.3-87.1164.8000110.1
77P47.3Very low47.2Very low115 Ų115114.3 Ų114.375%0.74775%0.746SS**PPolyproline II helixtrans-67144.7-170.229.1-32.9000110.7
78G49.8Very low48.3Very low60 Ų60113.1 Ų113.162%0.61974%0.737SS**PPolyproline II helixtrans-55.4161.8179.100000112.8A80G78-A80 PolarHBondContact O-N 2.96Å
79P46.6Very low49.1Very low135 Ų135113 Ų11388%0.87773%0.727SS**PPolyproline II helixtrans-59119.6179.925.1-31.9000108.4S81P79-S81 PolarHBondContact O-N 3.41Å; P79-S81 VanDerWaalsContact O-N 3.11Å
80A48.3Very low49.9Very low85 Ų85111.6 Ų111.670%0.70271%0.712SS**PPolyproline II helixtrans-49.9122.1166.600000107.3G78 L82G78-A80 PolarHBondContact O-N 2.96Å; A80-L82 PolarHBondContact O-N 3.36Å
81S47Very low50.7Low105 Ų105113.6 Ų113.673%0.73470%0.704SS**  trans-49.9108.7168.139.30000108.1P79 C83P79-S81 PolarHBondContact O-N 3.41Å; P79-S81 VanDerWaalsContact O-N 3.11Å; S81-C83 PolarHBondContact O-N 3.5Å
82L44.6Very low51.4Low160 Ų160113.2 Ų113.284%0.83869%0.692SS**  trans-64.976.6163.4-115.878.4000106.9A80 S84A80-L82 PolarHBondContact O-N 3.36Å; L82-S84 PolarHBondContact O-N 3.46Å
83C43.8Very low51.2Low110 Ų110115.1 Ų115.174%0.74368%0.684SS**  trans-66.691.6150.3-84.40000104.8S81 P85S81-C83 PolarHBondContact O-N 3.5Å; C83-P85 WeakPolarHBondContact O-CD 3.39Å; C83-P85 VanDerWaalsContact O-N 3.09Å
84S51.6Low51.9Low97 Ų97116.5 Ų116.568%0.67868%0.681SS**  trans-53.9115.4158.8-75.40000105.8L82 A86L82-S84 PolarHBondContact O-N 3.46Å; S84-A86 PolarHBondContact O-N 2.93Å
85P55.2Low52.4Low110 Ų110118.8 Ų118.871%0.71468%0.682SS**  trans-56.3131.2166.524.7-29.7000105.6C83 S87C83-P85 WeakPolarHBondContact O-CD 3.39Å; C83-P85 VanDerWaalsContact O-N 3.09Å; P85-S87 PolarHBondContact O-N 3.4Å; P85-S87 VanDerWaalsContact O-N 3.1Å
86A54.3Low52.7Low66 Ų66116.9 Ų116.955%0.54566%0.663SS.*  trans-41126.4163.600000106.9S84S84-A86 PolarHBondContact O-N 2.93Å
87S60.2Low53.1Low42 Ų42111.9 Ų111.929%0.29465%0.649SS.*  trans-48.6140.2-168.752.20000109.5P85 E89 L90 R91P85-S87 PolarHBondContact O-N 3.4Å; P85-S87 VanDerWaalsContact O-N 3.1Å; S87-E89 PolarHBondContact O-N 2.94Å; S87-L90 PolarHBondContact O-N 3.41Å; S87-L90 WeakPolarHBondContact OG-CG 3.39Å; S87-L90 PolarHBondContact OG-N 3.49Å; S87-R91 PolarHBondContact O-N 2.88Å
88P59Low54.3Low103 Ų103113.1 Ų113.167%0.66965%0.645SS**Hα-helixtrans-53.9-23.3175.819.9-30.4000111.8Q92P88-Q92 VanDerWaalsContact O-CB 3.24Å; P88-Q92 WeakPolarHBondContact O-CB 3.37Å; P88-Q92 PolarHBondContact O-N 2.92Å
89E57.3Low55.6Low130 Ų130115.7 Ų115.761%0.60764%0.644SS**Hα-helixtrans-61.6-45.5168.8-67.6-174.3140.200113.6S87 R91 Q92 W93S87-E89 PolarHBondContact O-N 2.94Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.01Å; E89-Q92 WeakPolarHBondContact O-CA 3.37Å; E89-Q92 WeakPolarHBondContact O-CB 3.22Å; E89-Q92 PolarHBondContact O-N 3.45Å; E89-W93 PolarHBondContact O-N 2.92Å; E89-W93 VanDerWaalsContact O-N 3.07Å
90L55Low57.4Low96 Ų96114.9 Ų114.950%0.50363%0.632SS.*Hα-helixtrans-66-36.2178.3-73.9168.6000112.2S87 Q92 W93 E94S87-L90 PolarHBondContact O-N 3.41Å; S87-L90 WeakPolarHBondContact OG-CG 3.39Å; S87-L90 PolarHBondContact OG-N 3.49Å; L90-Q92 VanDerWaalsContact C-N 3.32Å; L90-W93 PolarHBondContact O-N 3.43Å; L90-E94 PolarHBondContact O-N 3.48Å
91R58.9Low59.2Low176 Ų176115.4 Ų115.466%0.66462%0.623SS**Hα-helixtrans-65.8-35.5168.9-80.9-176.1-170.4-123.8-0.9112S87 E89 W93 E94 E95S87-R91 PolarHBondContact O-N 2.88Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.01Å; R91-W93 VanDerWaalsContact C-N 3.31Å; R91-W93 PolarHBondContact O-N 2.88Å; R91-E94 PolarHBondContact O-N 3.46Å; R91-E95 WeakPolarHBondContact O-CB 3.33Å; R91-E95 WeakPolarHBondContact O-CG 3.24Å; R91-E95 PolarHBondContact O-N 3.34Å
92Q57.8Low61.2Low109 Ų109113 Ų11351%0.50960%0.604SS.*Hα-helixtrans-66.7-31.1179.8-174.2174.6-16.800112.5P88 E89 L90 Q96P88-Q92 VanDerWaalsContact O-CB 3.24Å; P88-Q92 WeakPolarHBondContact O-CB 3.37Å; P88-Q92 PolarHBondContact O-N 2.92Å; E89-Q92 WeakPolarHBondContact O-CA 3.37Å; E89-Q92 WeakPolarHBondContact O-CB 3.22Å; E89-Q92 PolarHBondContact O-N 3.45Å; L90-Q92 VanDerWaalsContact C-N 3.32Å; Q92-Q96 VanDerWaalsContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 3.41Å
93W48.8Very low63.3Low162 Ų162109.2 Ų109.261%0.61458%0.584SS**Hα-helixtrans-78.2-30.4174.9-70.852.4000112.4L40 E89 L90 R91L40-W93 HydrophobicContact CD1-CZ3 4.05Å; L40-W93 HydrophobicContact CD2-CH2 4.08Å; L40-W93 HydrophobicContact CD2-CZ3 3.97Å; E89-W93 PolarHBondContact O-N 2.92Å; E89-W93 VanDerWaalsContact O-N 3.07Å; L90-W93 PolarHBondContact O-N 3.43Å; R91-W93 VanDerWaalsContact C-N 3.31Å; R91-W93 PolarHBondContact O-N 2.88Å
94E58.2Low65.6Low168 Ų168105.9 Ų105.979%0.78556%0.561SS**Hα-helixtrans-72.8-35.4170.2-169167.4-165.100111.9L90 R91L90-E94 PolarHBondContact O-N 3.48Å; R91-E94 PolarHBondContact O-N 3.46Å
95E57.6Low67.5Low162 Ų162104.5 Ų104.576%0.75754%0.543SS*.Hα-helixtrans-78.7-17.5174.7-70.9-85160.700113.3R91 G97R91-E95 WeakPolarHBondContact O-CB 3.33Å; R91-E95 WeakPolarHBondContact O-CG 3.24Å; R91-E95 PolarHBondContact O-N 3.34Å; E95-G97 PolarHBondContact O-N 2.82Å; E95-G97 VanDerWaalsContact O-N 3.16Å
96Q59.7Low69.3Low105 Ų105104.2 Ų104.249%0.49153%0.534SS..THydrogen-bonded Turntrans-69.6-4.2176.1-93.6168.3-4.600113.7Q92 E98Q92-Q96 VanDerWaalsContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 3.41Å; Q96-E98 WeakPolarHBondContact O-CG 3.23Å; Q96-E98 PolarHBondContact O-N 2.71Å
97G55Low71.3Confident53 Ų53106.5 Ų106.555%0.54654%0.537SS..  trans606.4130.200000119.9E95 L99E95-G97 PolarHBondContact O-N 2.82Å; E95-G97 VanDerWaalsContact O-N 3.16Å; G97-L99 PolarHBondContact O-N 2.81Å
98E70.8Confident72.9Confident141 Ų141106.5 Ų106.566%0.65953%0.534SS*.THydrogen-bonded Turntrans-79.431.4-179.4-69.4-63.5147.800111.9Q96 L100 L101 P102Q96-E98 WeakPolarHBondContact O-CG 3.23Å; Q96-E98 PolarHBondContact O-N 2.71Å; E98-L100 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact O-N 3.13Å; E98-L101 PolarHBondContact O-N 3.49Å; E98-P102 WeakPolarHBondContact O-CD 3.29Å
99L77.2Confident74.6Confident114 Ų114102.5 Ų102.560%0.59751%0.507SS*.THydrogen-bonded Turntrans-59.6-20.5170.4-172.862.4000111.3G97 L101 P102 L103G97-L99 PolarHBondContact O-N 2.81Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.24Å; L99-P102 HydrophobicContact CD1-CG 4.17Å; L99-P102 VanDerWaalsContact O-CD 3.26Å; L99-P102 WeakPolarHBondContact O-CD 3.43Å; L99-P102 WeakPolarHBondContact O-CG 3.36Å; L99-L103 HydrophobicContact CD1-CG 4.29Å; L99-L103 HydrophobicContact CD2-CD1 3.98Å; L99-L103 HydrophobicContact CG-CD1 3.66Å; L99-L103 HydrophobicContact CG-CG 3.9Å; L99-L103 VanDerWaalsContact O-CB 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 3.08Å
100L84.6Confident76.4Confident119 Ų119100.7 Ų100.762%0.62350%0.501SS*.Hα-helixtrans-58-41.9174.8-174.763.7000112.3E98 L103 T104E98-L100 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact O-N 3.13Å; L100-L103 PolarHBondContact O-N 3.29Å; L100-T104 HydrophobicContact CD1-CG2 3.9Å; L100-T104 HydrophobicContact CG-CG2 4.13Å; L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.46Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.03Å; L100-T104 PolarHBondContact O-OG1 2.83Å
101L85.9Confident78.4Confident96 Ų9697.2 Ų97.250%0.50349%0.489SS..Hα-helixtrans-64.6-52.3-178.3-161.581.4000113.1E98 L99 L103 T104 F105 W210E98-L101 PolarHBondContact O-N 3.49Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.24Å; L101-L103 PolarHBondContact O-N 3.42Å; L101-T104 WeakPolarHBondContact CA-OG1 3.44Å; L101-T104 PolarHBondContact O-N 3.31Å; L101-T104 PolarHBondContact O-OG1 3.45Å; L101-F105 PolarHBondContact O-N 2.87Å; L101-W210 HydrophobicContact CD1-CH2 3.77Å; L101-W210 HydrophobicContact CD1-CZ2 3.25Å; L101-W210 HydrophobicContact CG-CZ2 3.66Å
102P88.9Confident80.1Confident53 Ų5389.2 Ų89.234%0.34446%0.46SS..Hα-helixtrans-68.4-32.1175.527.5-34.6000112.9E98 L99 F105 L106E98-P102 WeakPolarHBondContact O-CD 3.29Å; L99-P102 HydrophobicContact CD1-CG 4.17Å; L99-P102 VanDerWaalsContact O-CD 3.26Å; L99-P102 WeakPolarHBondContact O-CD 3.43Å; L99-P102 WeakPolarHBondContact O-CG 3.36Å; P102-F105 PolarHBondContact O-N 3.41Å; P102-L106 WeakPolarHBondContact O-CB 3.4Å; P102-L106 PolarHBondContact O-N 3.38Å
103L90.2Very high81.9Confident81 Ų8187.8 Ų87.842%0.42446%0.455SS..Hα-helixtrans-66.7-43.3174-73.9176.5000111.8L99 L100 L101 L106 L107L99-L103 HydrophobicContact CD1-CG 4.29Å; L99-L103 HydrophobicContact CD2-CD1 3.98Å; L99-L103 HydrophobicContact CG-CD1 3.66Å; L99-L103 HydrophobicContact CG-CG 3.9Å; L99-L103 VanDerWaalsContact O-CB 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 3.29Å; L101-L103 PolarHBondContact O-N 3.42Å; L103-L106 PolarHBondContact O-N 3.34Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.91Å
104T91.6Very high84.1Confident40 Ų4085 Ų8525%0.24545%0.452CS..Hα-helixtrans-62.8-43.417654.10000110.9L100 L101 L106 L107 L108 W210L100-T104 HydrophobicContact CD1-CG2 3.9Å; L100-T104 HydrophobicContact CG-CG2 4.13Å; L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.46Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.03Å; L100-T104 PolarHBondContact O-OG1 2.83Å; L101-T104 WeakPolarHBondContact CA-OG1 3.44Å; L101-T104 PolarHBondContact O-N 3.31Å; L101-T104 PolarHBondContact O-OG1 3.45Å; T104-L106 PolarHBondContact O-N 2.92Å; T104-L107 PolarHBondContact O-N 3.32Å; T104-L108 VanDerWaalsContact O-CG 3.27Å; T104-L108 WeakPolarHBondContact O-CG 3.36Å; T104-L108 PolarHBondContact O-N 3.2Å; T104-W210 WeakPolarHBondContact OG1-CH2 3.4Å; T104-W210 WeakPolarHBondContact OG1-CZ2 3.42Å
105F91.6Very high85.9Confident69 Ų6978.7 Ų78.730%0.30342%0.423SS..Hα-helixtrans-58-47.7172.9-178.7-103.9000112.1W22 L101 P102 L107 L108 V109 V207 W210W22-F105 HydrophobicContact CZ3-CZ 4.47Å; L101-F105 PolarHBondContact O-N 2.87Å; P102-F105 PolarHBondContact O-N 3.41Å; F105-L107 VanDerWaalsContact C-N 3.32Å; F105-L107 PolarHBondContact O-N 2.99Å; F105-L108 PolarHBondContact O-N 2.87Å; F105-V109 HydrophobicContact CD1-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.93Å; F105-V109 HydrophobicContact CE2-CG2 4.22Å; F105-V109 HydrophobicContact CZ-CG2 3.88Å; F105-V109 WeakPolarHBondContact O-CG2 3.47Å; F105-V109 PolarHBondContact O-N 3.48Å; F105-V207 HydrophobicContact CE2-CG1 4.38Å; F105-W210 HydrophobicContact CD2-CB 4.48Å; F105-W210 AromaticContact CD2-CD1 3.49Å; F105-W210 VanDerWaalsContact CD2-CD1 3.49Å; F105-W210 AromaticContact CD2-CG 3.99Å; F105-W210 HydrophobicContact CD2-CG 3.99Å; F105-W210 AromaticContact CD2-NE1 3.89Å
106L93.3Very high87.7Confident103 Ų10373.4 Ų73.454%0.53940%0.397SS..Hα-helixtrans-60.8-40.9178.1-176.664.7000112.2P102 L103 T104 V109 L110P102-L106 WeakPolarHBondContact O-CB 3.4Å; P102-L106 PolarHBondContact O-N 3.38Å; L103-L106 PolarHBondContact O-N 3.34Å; T104-L106 PolarHBondContact O-N 2.92Å; L106-V109 PolarHBondContact O-N 3.44Å; L106-L110 WeakPolarHBondContact O-CB 3.29Å; L106-L110 PolarHBondContact O-N 2.96Å
107L94.7Very high89.4Confident115 Ų11572.5 Ų72.560%0.60240%0.395SS*.Hα-helixtrans-66-39.5176-70.9171.7000112.1L103 T104 F105 L110 G111L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.91Å; T104-L107 PolarHBondContact O-N 3.32Å; F105-L107 VanDerWaalsContact C-N 3.32Å; F105-L107 PolarHBondContact O-N 2.99Å; L107-L110 PolarHBondContact O-N 3.05Å; L107-G111 PolarHBondContact O-N 3.45Å
108L94.9Very high91.2Very high42 Ų4272.3 Ų72.322%0.2239%0.388CS..Hα-helixtrans-64.5-42.8175.7-69.9170.9000111.4T104 F105 G111 S112 L203 V206 V207 W210T104-L108 VanDerWaalsContact O-CG 3.27Å; T104-L108 WeakPolarHBondContact O-CG 3.36Å; T104-L108 PolarHBondContact O-N 3.2Å; F105-L108 PolarHBondContact O-N 2.87Å; L108-G111 PolarHBondContact O-N 2.9Å; L108-S112 WeakPolarHBondContact O-CB 3.39Å; L108-S112 PolarHBondContact O-N 3.46Å; L108-L203 HydrophobicContact CD2-CD1 3.66Å; L108-V206 HydrophobicContact CD1-CG1 4.42Å; L108-V207 HydrophobicContact CB-CG2 3.83Å; L108-W210 HydrophobicContact CD1-CE3 4.09Å; L108-W210 HydrophobicContact CD1-CZ3 4.32Å
109V93.9Very high92.4Very high19 Ų1965.6 Ų65.612%0.11536%0.357CS..Hα-helixtrans-63.9-47.4175.8172.90000110.9W22 F105 L106 G111 S112 L113 V207W22-V109 HydrophobicContact CE3-CG1 3.95Å; W22-V109 HydrophobicContact CE3-CG2 4.42Å; W22-V109 HydrophobicContact CH2-CG1 4.37Å; W22-V109 HydrophobicContact CH2-CG2 4.01Å; W22-V109 HydrophobicContact CZ3-CB 4.36Å; W22-V109 HydrophobicContact CZ3-CG1 3.81Å; W22-V109 HydrophobicContact CZ3-CG2 3.55Å; F105-V109 HydrophobicContact CD1-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.93Å; F105-V109 HydrophobicContact CE2-CG2 4.22Å; F105-V109 HydrophobicContact CZ-CG2 3.88Å; F105-V109 WeakPolarHBondContact O-CG2 3.47Å; F105-V109 PolarHBondContact O-N 3.48Å; L106-V109 PolarHBondContact O-N 3.44Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 3.37Å; V109-S112 WeakPolarHBondContact O-CB 3.48Å; V109-S112 PolarHBondContact O-N 2.93Å; V109-L113 HydrophobicContact CG1-CD1 4.39Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 2.91Å; V109-V207 HydrophobicContact CG2-CG1 4.35Å
110L95.4Very high93.2Very high91 Ų9161.2 Ų61.248%0.47634%0.335SS..Hα-helixtrans-60.2-44.8176.3-179.862.3000111.3L106 L107 S112 L113 L114L106-L110 WeakPolarHBondContact O-CB 3.29Å; L106-L110 PolarHBondContact O-N 2.96Å; L107-L110 PolarHBondContact O-N 3.05Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 3.37Å; L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 3.26Å
111G96.8Very high93.6Very high24 Ų2461.4 Ų61.425%0.24734%0.336CS..Hα-helixtrans-58.8-42.6174.900000112.5L107 L108 V109 L114 L115L107-G111 PolarHBondContact O-N 3.45Å; L108-G111 PolarHBondContact O-N 2.9Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 3.37Å; G111-L114 PolarHBondContact O-N 2.93Å; G111-L115 WeakPolarHBondContact O-CB 3.4Å; G111-L115 PolarHBondContact O-N 3.39Å
112S95.4Very high94Very high8 Ų859.7 Ų59.76%0.05633%0.326CS..Hα-helixtrans-62-44.4176.1-177.50000111.6L108 V109 L110 L114 L115 Y116 Q204L108-S112 WeakPolarHBondContact O-CB 3.39Å; L108-S112 PolarHBondContact O-N 3.46Å; V109-S112 WeakPolarHBondContact O-CB 3.48Å; V109-S112 PolarHBondContact O-N 2.93Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 2.9Å; S112-L114 PolarHBondContact O-N 2.8Å; S112-L115 PolarHBondContact O-N 2.83Å; S112-Y116 WeakPolarHBondContact O-CB 3.34Å; S112-Y116 PolarHBondContact O-N 3.18Å; S112-Q204 PolarHBondContact OG-OE1 3.38Å; S112-Q204 VanDerWaalsContact OG-OE1 3.05Å
113L95.2Very high94.3Very high78 Ų7859.8 Ų59.841%0.40832%0.324SS..Hα-helixtrans-61.6-43.2175.7-69.6173000112.1V109 L110 Y116 L117V109-L113 HydrophobicContact CG1-CD1 4.39Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 2.91Å; L110-L113 PolarHBondContact O-N 3.37Å; L113-Y116 PolarHBondContact O-N 3.04Å; L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.41Å
114L95.9Very high94.5Very high105 Ų10555.9 Ų55.955%0.5530%0.304SS..Hα-helixtrans-64.8-42.1177.6-68.2174.6000111.9L110 G111 S112 L117 A118L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 3.26Å; G111-L114 PolarHBondContact O-N 2.93Å; S112-L114 PolarHBondContact O-N 2.8Å; L114-L117 PolarHBondContact O-N 2.87Å; L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.18Å; L114-A118 PolarHBondContact O-N 2.81Å
115L95.7Very high94.7Very high34 Ų3454 Ų5418%0.17829%0.293CS..Hα-helixtrans-64.5-42.5174.7-90.1153.5000111.9G111 S112 L117 A118 V119 V199 Y200 L203G111-L115 WeakPolarHBondContact O-CB 3.4Å; G111-L115 PolarHBondContact O-N 3.39Å; S112-L115 PolarHBondContact O-N 2.83Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 3Å; L115-A118 PolarHBondContact O-N 3.22Å; L115-V119 WeakPolarHBondContact O-CG2 3.32Å; L115-V119 PolarHBondContact O-N 2.92Å; L115-V199 HydrophobicContact CD1-CG1 4.23Å; L115-V199 HydrophobicContact CD2-CG1 4.16Å; L115-Y200 HydrophobicContact CB-CD2 4.12Å; L115-L203 HydrophobicContact CD1-CD2 3.44Å; L115-L203 VanDerWaalsContact CD1-CD2 3.44Å
116Y95.3Very high94.8Very high52 Ų5252.6 Ų52.620%0.20429%0.285CS..Hα-helixtrans-56.9-49.4174.7169.8-93.1000110.8S112 L113 V119 S120 W184 M185S112-Y116 WeakPolarHBondContact O-CB 3.34Å; S112-Y116 PolarHBondContact O-N 3.18Å; L113-Y116 PolarHBondContact O-N 3.04Å; Y116-V119 PolarHBondContact O-N 3.3Å; Y116-S120 WeakPolarHBondContact O-CB 3.14Å; Y116-S120 PolarHBondContact O-N 2.88Å; Y116-S120 PolarHBondContact O-OG 3.21Å; Y116-W184 PolarHBondContact OH-O 2.87Å; Y116-M185 HydrophobicContact CD2-CE 3.75Å; Y116-M185 HydrophobicContact CD2-SD 3.43Å; Y116-M185 WeakPolarHBondContact CD2-SD 3.31Å; Y116-M185 HydrophobicContact CE2-CE 4.2Å; Y116-M185 HydrophobicContact CE2-SD 3.47Å; Y116-M185 WeakPolarHBondContact CE2-SD 3.31Å; Y116-M185 HydrophobicContact CG-CE 4.38Å; Y116-M185 WeakPolarHBondContact O-CE 3.24Å
117L94.8Very high94.7Very high86 Ų8648.8 Ų48.845%0.4527%0.266SS..Hα-helixtrans-62.9-44.7177.6-70.1173.4000111.4L113 L114 L115 S120 L121L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.41Å; L114-L117 PolarHBondContact O-N 2.87Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 3Å; L117-S120 PolarHBondContact O-N 2.71Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.31Å; L117-L121 PolarHBondContact O-N 2.89Å
118A94.1Very high94.2Very high48 Ų4849 Ų4940%0.39727%0.268SS..Hα-helixtrans-58.1-52178.400000111.3L114 L115 L121 M122L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.18Å; L114-A118 PolarHBondContact O-N 2.81Å; L115-A118 PolarHBondContact O-N 3.22Å; A118-L121 PolarHBondContact O-N 3.03Å; A118-M122 WeakPolarHBondContact O-CB 3.48Å; A118-M122 PolarHBondContact O-N 2.92Å
119V95.3Very high92.9Very high1 Ų152 Ų521%0.00629%0.288CS..Hα-helixtrans-69-37.6-177.7175.60000111.9L115 Y116 L121 M185 N187 L196 F197L115-V119 WeakPolarHBondContact O-CG2 3.32Å; L115-V119 PolarHBondContact O-N 2.92Å; Y116-V119 PolarHBondContact O-N 3.3Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.49Å; V119-M185 HydrophobicContact CB-CE 3.51Å; V119-M185 HydrophobicContact CG1-CE 3.54Å; V119-N187 PolarHBondContact O-ND2 3.35Å; V119-L196 HydrophobicContact CG2-CB 3.63Å; V119-F197 HydrophobicContact CG1-CB 4.08Å; V119-F197 HydrophobicContact CG1-CD2 4.12Å
120S94.5Very high91.2Very high21 Ų2158.7 Ų58.715%0.14732%0.318CS..Hα-helixtrans-66.3-35.5178.7-59.20000112.2Y116 L117 M185 N187Y116-S120 WeakPolarHBondContact O-CB 3.14Å; Y116-S120 PolarHBondContact O-N 2.88Å; Y116-S120 PolarHBondContact O-OG 3.21Å; L117-S120 PolarHBondContact O-N 2.71Å; S120-M185 WeakPolarHBondContact OG-CE 3.32Å; S120-N187 PolarHBondContact O-ND2 2.61Å
121L92.6Very high89.1Confident123 Ų12359.8 Ų59.864%0.64433%0.33SS*.Hα-helixtrans-94.9-12.4-177.2-60176.9000113.9L6 L117 A118 V119L6-L121 HydrophobicContact CD2-CD2 4.34Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.31Å; L117-L121 PolarHBondContact O-N 2.89Å; A118-L121 PolarHBondContact O-N 3.03Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.49Å
122M93.6Very high86.7Confident60 Ų6066.1 Ų66.130%0.29635%0.354SS..SBendtrans-72.8142-178.1-173174.4-171.400112.1A118 P124 N187 R192 N193 L196A118-M122 WeakPolarHBondContact O-CB 3.48Å; A118-M122 PolarHBondContact O-N 2.92Å; M122-P124 VanDerWaalsContact O-CD 3.31Å; M122-P124 WeakPolarHBondContact O-CD 3.35Å; M122-N187 PolarHBondContact O-ND2 2.81Å; M122-R192 HydrophobicContact CE-CB 4.24Å; M122-R192 WeakPolarHBondContact CE-O 3.19Å; M122-N193 HydrophobicContact CB-CB 4.25Å; M122-N193 HydrophobicContact CG-CB 4.09Å; M122-N193 HydrophobicContact SD-CB 3.72Å; M122-L196 HydrophobicContact CE-CD1 4.42Å; M122-L196 HydrophobicContact SD-CD1 3.67Å
123D95.2Very high84.3Confident55 Ų5570.5 Ų70.529%0.29438%0.382SS..  trans-64.8118.9168.7168.837.9000109.7G125 Y126 R192D123-G125 PolarHBondContact O-N 3.28Å; D123-G125 VanDerWaalsContact O-N 3.16Å; D123-G125 PolarHBondContact OD1-N 3.47Å; D123-Y126 WeakPolarHBondContact OD1-CD2 3.37Å; D123-Y126 PolarHBondContact OD1-N 2.99Å; D123-R192 VanDerWaalsContact O-CB 3.27Å; D123-R192 WeakPolarHBondContact O-CB 3.42Å; D123-R192 IonicContact OD2-CZ 3.96Å; D123-R192 IonicContact OD2-NH1 3.97Å; D123-R192 PolarHBondContact OD2-NH1 2.75Å
124P95.1Very high81.8Confident0 Ų076.2 Ų76.20%041%0.407CS..  trans-68.9-9.8178.129.1-35.8000113.4M122 Y126 V175 C188 G190 E191 R192M122-P124 VanDerWaalsContact O-CD 3.31Å; M122-P124 WeakPolarHBondContact O-CD 3.35Å; P124-Y126 HydrophobicContact CG-CD1 4.39Å; P124-Y126 HydrophobicContact CG-CD2 4.25Å; P124-Y126 HydrophobicContact CG-CE1 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.79Å; P124-V175 HydrophobicContact CB-CG1 3.97Å; P124-V175 HydrophobicContact CG-CG1 4.22Å; P124-C188 HydrophobicContact CB-CB 4.06Å; P124-C188 VanDerWaalsContact CB-O 3.31Å; P124-C188 WeakPolarHBondContact CB-O 3.5Å; P124-C188 HydrophobicContact CG-CB 3.92Å; P124-G190 CarbonylContact O-C 3.3Å; P124-G190 VanDerWaalsContact O-C 3.3Å; P124-E191 PolarHBondContact O-N 2.84Å; P124-R192 PolarHBondContact O-N 3.43Å; P124-R192 VanDerWaalsContact O-N 3.11Å
125G94.8Very high79.6Confident1 Ų179.2 Ų79.21%0.0142%0.418CS..  trans103.857.1-17400000110.7D123 V127 R176D123-G125 PolarHBondContact O-N 3.28Å; D123-G125 VanDerWaalsContact O-N 3.16Å; D123-G125 PolarHBondContact OD1-N 3.47Å; G125-V127 PolarHBondContact O-N 2.83Å; G125-R176 WeakPolarHBondContact O-CB 3.43Å; G125-R176 WeakPolarHBondContact O-CG 3.27Å; G125-R176 PolarHBondContact O-N 2.8Å
126Y94.1Very high77.1Confident38 Ų3885.9 Ų85.915%0.14945%0.448CS..BIsolated β-bridgetrans-60.1137.3173.2-68.1-61.2000111.1D123 P124 N128 C171 R173 C174 V175 N187D123-Y126 WeakPolarHBondContact OD1-CD2 3.37Å; D123-Y126 PolarHBondContact OD1-N 2.99Å; P124-Y126 HydrophobicContact CG-CD1 4.39Å; P124-Y126 HydrophobicContact CG-CD2 4.25Å; P124-Y126 HydrophobicContact CG-CE1 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.79Å; Y126-N128 PolarHBondContact O-N 3.38Å; Y126-C171 HydrophobicContact CE1-CB 4.23Å; Y126-R173 HydrophobicContact CD1-CB 3.43Å; Y126-R173 VanDerWaalsContact CD1-CB 3.43Å; Y126-R173 HydrophobicContact CD1-CG 4.23Å; Y126-R173 HydrophobicContact CE1-CB 3.68Å; Y126-R173 HydrophobicContact CE1-CG 4.41Å; Y126-R173 HydrophobicContact CG-CB 4.32Å; Y126-C174 CarbonylContact C-O 3.6Å; Y126-C174 WeakPolarHBondContact CA-O 3.21Å; Y126-V175 HydrophobicContact CD1-CG2 3.7Å; Y126-V175 HydrophobicContact CE1-CG2 3.6Å; Y126-N187 PolarHBondContact OH-OD1 2.79Å
127V91.8Very high74.9Confident23 Ų2391.8 Ų91.814%0.13948%0.482CS..  trans-75.6110.4175.1-1790000107.8G125 V159 P162 A165 C174 R176G125-V127 PolarHBondContact O-N 2.83Å; V127-V159 HydrophobicContact CG1-CG2 4.32Å; V127-P162 HydrophobicContact CG2-CG 3.95Å; V127-A165 HydrophobicContact CG2-CB 4.22Å; V127-C174 HydrophobicContact CB-CB 3.91Å; V127-C174 HydrophobicContact CG2-CB 3.94Å; V127-C174 PolarHBondContact N-O 3.34Å; V127-R176 HydrophobicContact CG2-CG 3.68Å
128N83.2Confident72.5Confident119 Ų11995.4 Ų95.464%0.63649%0.494SS*.  trans-69.1138.6173.6-68.6-45000110.4Y126 Q130Y126-N128 PolarHBondContact O-N 3.38Å; N128-Q130 PolarHBondContact O-N 3.47Å
129V68.9Low70.5Confident107 Ų107100.3 Ų100.365%0.64851%0.509SS*.  trans-71.682.8167.5-1710000106.4P131 V159V129-P131 WeakPolarHBondContact O-CD 3.37Å; V129-V159 HydrophobicContact CB-CG1 4.07Å; V129-V159 HydrophobicContact CG1-CG1 4.1Å; V129-V159 HydrophobicContact CG2-CG1 3.59Å
130Q58.1Low68.3Low158 Ų158109 Ų10974%0.73855%0.549SS*.  trans-69.8123.9161.1-83.8173.6-11.200106.2N128 Q132N128-Q130 PolarHBondContact O-N 3.47Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 2.96Å
131P50.1Low65.9Low114 Ų114115.5 Ų115.574%0.7458%0.578SS**  trans-59.2107.715914-7.7000104.3V129 P133V129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-P133 WeakPolarHBondContact O-CD 3.33Å; P131-P133 VanDerWaalsContact O-N 3.16Å
132Q47.4Very low63.9Low157 Ų157117 Ų11773%0.73459%0.592SS**  trans-62.7118.5168.8-73.5-153.7-53.300105.6Q130 Q134Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 2.96Å; Q132-Q134 PolarHBondContact O-N 3.27Å
133P43.9Very low61.8Low101 Ų101117.6 Ų117.666%0.65661%0.606SS**  trans-53.1134149.3-1128.1000104.7P131 E135P131-P133 WeakPolarHBondContact O-CD 3.33Å; P131-P133 VanDerWaalsContact O-N 3.16Å; P133-E135 PolarHBondContact O-N 2.99Å
134Q44.2Very low59.5Low197 Ų197124.4 Ų124.492%0.92164%0.639SS**  trans-61.877.6166.8-70.6179.8-71.800107.9Q132 E136Q132-Q134 PolarHBondContact O-N 3.27Å; Q134-E136 PolarHBondContact O-N 3.03Å
135E49.1Very low57.8Low169 Ų169129.9 Ų129.979%0.7967%0.672SS**  trans-75.688161.7-77.9-166.5168.700106.2P133 L137P133-E135 PolarHBondContact O-N 2.99Å; E135-L137 PolarHBondContact O-N 3.27Å
136E44.1Very low56.2Low174 Ų174134.7 Ų134.781%0.81370%0.703SS**  46.366.2122.4-62.5-174.114900114.3Q134 K138Q134-E136 PolarHBondContact O-N 3.03Å; E136-K138 PolarHBondContact O-N 3.49Å; E136-K138 VanDerWaalsContact O-N 3.09Å
137L48.3Very low54.6Low176 Ų176138.6 Ų138.692%0.92173%0.733SS**  trans-78.680150.3-153.291.5000108.3E135E135-L137 PolarHBondContact O-N 3.27Å
138K44.7Very low53.3Low161 Ų161142 Ų14270%0.776%0.763SS**  trans-159.5121.2141.3-121.2-172.2173.9-128.60112.8E136E136-K138 PolarHBondContact O-N 3.49Å; E136-K138 VanDerWaalsContact O-N 3.09Å
139E50.7Low52.6Low152 Ų152141.5 Ų141.571%0.7176%0.76SS**SBendtrans76.271.6146.4-74.2162.8-173.700117.6
140E49.3Very low52.5Low182 Ų182141.9 Ų141.985%0.8577%0.765SS**  -159.7160.2123.4-134-176.592.100110.1
141Q45.4Very low53.4Low159 Ų159138.3 Ų138.374%0.74375%0.75SS**  trans85.965.2175-51.5-177.54.800116.3A143Q141-A143 VanDerWaalsContact C-N 3.3Å; Q141-A143 PolarHBondContact O-N 2.73Å
142T49Very low55Low153 Ų153140.4 Ų140.494%0.93974%0.743SS**  trans-41.390.3134.7-46.50000111.8
143A49.6Very low57Low73 Ų73141.5 Ų141.560%0.60374%0.741SS**SBendtrans-158.498.8156.800000110.1Q141 V145Q141-A143 VanDerWaalsContact C-N 3.3Å; Q141-A143 PolarHBondContact O-N 2.73Å; A143-V145 WeakPolarHBondContact O-CG2 3.47Å; A143-V145 PolarHBondContact O-N 3.47Å
144M48.3Very low59.3Low198 Ų198136.9 Ų136.998%0.97571%0.711SS**  trans39.654157.1-151.3173.4-166.500115.8
145V58.1Low61.5Low115 Ų115138.4 Ų138.470%0.69771%0.708SS**PPolyproline II helixtrans-81.8122.7175.7-174.50000108.1A143A143-V145 WeakPolarHBondContact O-CG2 3.47Å; A143-V145 PolarHBondContact O-N 3.47Å
146P62.9Low63.5Low103 Ų103137.9 Ų137.967%0.66970%0.7SS**PPolyproline II helixtrans-53.1148.6169.7-19.629.9000109.4A148P146-A148 PolarHBondContact O-N 2.91Å
147P60.2Low65.7Low120 Ų120131.2 Ų131.278%0.77967%0.672SS**PPolyproline II helixtrans-49.2119.5-177.920.5-32.1000109.7I149P147-I149 PolarHBondContact O-N 2.81Å
148A64.8Low67.6Low93 Ų93128.1 Ų128.177%0.76966%0.656SS**  trans-53.5109.4-175.600000108.6P146 P150P146-A148 PolarHBondContact O-N 2.91Å; A148-P150 WeakPolarHBondContact O-CD 3.43Å; A148-P150 VanDerWaalsContact O-N 3.15Å
149I68.3Low69.6Low109 Ų109121.1 Ų121.156%0.55963%0.627SS**  trans-62.1121.8-177.9-59.1173.6000106.5P147 L151 L163P147-I149 PolarHBondContact O-N 2.81Å; I149-L151 PolarHBondContact O-N 3.48Å; I149-L163 HydrophobicContact CB-CD2 4.11Å; I149-L163 HydrophobicContact CD1-CD1 4.27Å; I149-L163 HydrophobicContact CD1-CD2 3.9Å; I149-L163 HydrophobicContact CG2-CD2 3.67Å
150P66.1Low71.4Confident116 Ų116117.4 Ų117.475%0.75361%0.611SS**  trans-61.8109.5-177.223-32.2000109.1A148 R152A148-P150 WeakPolarHBondContact O-CD 3.43Å; A148-P150 VanDerWaalsContact O-N 3.15Å; P150-R152 PolarHBondContact O-N 3.28Å
151L76.4Confident73.3Confident83 Ų83109.8 Ų109.844%0.43558%0.576SS.*PPolyproline II helixtrans-70.2127176.2-66.4172.1000108.5I149 L160 L163I149-L151 PolarHBondContact O-N 3.48Å; L151-L160 HydrophobicContact CB-CD1 3.61Å; L151-L160 HydrophobicContact CB-CD2 3.84Å; L151-L160 HydrophobicContact CB-CG 3.59Å; L151-L160 HydrophobicContact CD1-CD2 3.53Å; L151-L160 HydrophobicContact CD1-CG 4.05Å; L151-L160 HydrophobicContact CG-CD2 4.34Å; L151-L160 HydrophobicContact CG-CG 4.45Å; L151-L160 WeakPolarHBondContact O-CD1 3.27Å; L151-L163 HydrophobicContact CD2-CG 4.34Å
152R85.2Confident75.4Confident158 Ų158104.4 Ų104.460%0.59656%0.555SS**PPolyproline II helixtrans-78.9137.4-179.2-68.8-168.1-66-113.1-2.3110.1P150 Q161P150-R152 PolarHBondContact O-N 3.28Å; R152-Q161 WeakPolarHBondContact O-CA 3.37Å; R152-Q161 WeakPolarHBondContact O-CB 3.39Å; R152-Q161 WeakPolarHBondContact O-CG 3.19Å; R152-Q161 PolarHBondContact O-N 2.91Å
153R88.8Confident77.3Confident179 Ų179102.2 Ų102.268%0.67554%0.537SS*.BIsolated β-bridgetrans-89.9129.1171.9-164.3171.3-172.4157.80.7110.6R155 L158R153-R155 PolarHBondContact O-N 3.23Å; R153-L158 PolarHBondContact NE-O 3Å; R153-L158 PolarHBondContact NH2-O 2.98Å; R153-L158 VanDerWaalsContact NH2-O 3.11Å
154C91.6Very high79.3Confident5 Ų5107 Ų1073%0.03454%0.539CS..PPolyproline II helixtrans-71.9126.3173.4-177.70000109.8Y156 C157 L158 V159 Q161C154-Y156 VanDerWaalsContact C-N 3.32Å; C154-Y156 PolarHBondContact O-N 2.88Å; C154-Y156 PolarHBondContact SG-N 3.27Å; C154-C157 HydrophobicContact CB-CB 4.27Å; C154-C157 PolarHBondContact SG-N 2.85Å; C154-C157 VanDerWaalsContact SG-N 3.38Å; C154-L158 WeakPolarHBondContact O-CA 3.32Å; C154-L158 PolarHBondContact O-N 2.96Å; C154-V159 HydrophobicContact CB-CG2 4.18Å; C154-V159 PolarHBondContact N-O 3.39Å; C154-Q161 HydrophobicContact CB-CG 3.89Å
155R91.4Very high81.4Confident229 Ų22997.6 Ų97.686%0.86449%0.493SS*.THydrogen-bonded Turntrans-70.6-26.2177.8-63-177.2-178.7-176.5-0.3113.7R153 L158R153-R155 PolarHBondContact O-N 3.23Å; R155-L158 WeakPolarHBondContact O-CD2 3.38Å
156Y90.8Very high83.2Confident157 Ų15799.3 Ų99.362%0.61649%0.487SS*.THydrogen-bonded Turntrans-88.5-49-176.8-56.7-79.2000112.4C154 H167C154-Y156 VanDerWaalsContact C-N 3.32Å; C154-Y156 PolarHBondContact O-N 2.88Å; C154-Y156 PolarHBondContact SG-N 3.27Å; Y156-H167 AromaticContact CD2-CD2 3.8Å; Y156-H167 AromaticContact CD2-NE2 3.97Å; Y156-H167 AromaticContact CG-NE2 3.94Å
157C89.3Confident84.7Confident34 Ų3496.2 Ų96.223%0.2346%0.464CS..THydrogen-bonded Turntrans-87.6-10.4-179.7-60.10000112.9C154 V159 H167C154-C157 HydrophobicContact CB-CB 4.27Å; C154-C157 PolarHBondContact SG-N 2.85Å; C154-C157 VanDerWaalsContact SG-N 3.38Å; C157-V159 HydrophobicContact CB-CG1 4.37Å; C157-V159 HydrophobicContact CB-CG2 3.89Å; C157-V159 PolarHBondContact O-N 2.9Å; C157-H167 VanDerWaalsContact SG-CE1 3.51Å; C157-H167 PolarHBondContact SG-ND1 2.82Å
158L89.4Confident86.5Confident112 Ų11290.6 Ų90.659%0.58643%0.427SS*.  trans57.812.6-176.3-56.6177.9000115.6R153 C154 R155R153-L158 PolarHBondContact NE-O 3Å; R153-L158 PolarHBondContact NH2-O 2.98Å; R153-L158 VanDerWaalsContact NH2-O 3.11Å; C154-L158 WeakPolarHBondContact O-CA 3.32Å; C154-L158 PolarHBondContact O-N 2.96Å; R155-L158 WeakPolarHBondContact O-CD2 3.38Å
159V86.8Confident88Confident13 Ų1394.7 Ų94.78%0.07942%0.423CS..PPolyproline II helixtrans-88.6150.7176-59.50000112.7V127 V129 C154 C157 Q161 C174V127-V159 HydrophobicContact CG1-CG2 4.32Å; V129-V159 HydrophobicContact CB-CG1 4.07Å; V129-V159 HydrophobicContact CG1-CG1 4.1Å; V129-V159 HydrophobicContact CG2-CG1 3.59Å; C154-V159 HydrophobicContact CB-CG2 4.18Å; C154-V159 PolarHBondContact N-O 3.39Å; C157-V159 HydrophobicContact CB-CG1 4.37Å; C157-V159 HydrophobicContact CB-CG2 3.89Å; C157-V159 PolarHBondContact O-N 2.9Å; V159-Q161 PolarHBondContact O-N 3.42Å; V159-C174 HydrophobicContact CG2-CB 4.26Å
160L88.8Confident89.2Confident74 Ų7495 Ų9539%0.38742%0.422SS..BIsolated β-bridgetrans-72.8118.8165.6-163.463.9000108.8L151 P162L151-L160 HydrophobicContact CB-CD1 3.61Å; L151-L160 HydrophobicContact CB-CD2 3.84Å; L151-L160 HydrophobicContact CB-CG 3.59Å; L151-L160 HydrophobicContact CD1-CD2 3.53Å; L151-L160 HydrophobicContact CD1-CG 4.05Å; L151-L160 HydrophobicContact CG-CD2 4.34Å; L151-L160 HydrophobicContact CG-CG 4.45Å; L151-L160 WeakPolarHBondContact O-CD1 3.27Å; L160-P162 WeakPolarHBondContact O-CD 3.16Å
161Q89.1Confident90.5Very high22 Ų2290.9 Ų90.910%0.10340%0.395CS..PPolyproline II helixtrans-77.5120.6-177-62.7-177.2-56.200109R152 C154 V159 A165R152-Q161 WeakPolarHBondContact O-CA 3.37Å; R152-Q161 WeakPolarHBondContact O-CB 3.39Å; R152-Q161 WeakPolarHBondContact O-CG 3.19Å; R152-Q161 PolarHBondContact O-N 2.91Å; C154-Q161 HydrophobicContact CB-CG 3.89Å; V159-Q161 PolarHBondContact O-N 3.42Å; Q161-A165 HydrophobicContact CB-CB 4.22Å
162P88.3Confident91.3Very high47 Ų4796.6 Ų96.631%0.30541%0.411SS..PPolyproline II helixtrans-61.6164.3170.824.3-29.6000110.3V127 L160 R164 A165 R176V127-P162 HydrophobicContact CG2-CG 3.95Å; L160-P162 WeakPolarHBondContact O-CD 3.16Å; P162-R164 PolarHBondContact O-N 3.17Å; P162-A165 HydrophobicContact CG-CB 3.78Å; P162-A165 VanDerWaalsContact O-CB 3.27Å; P162-A165 WeakPolarHBondContact O-CB 3.4Å; P162-A165 PolarHBondContact O-N 3.29Å; P162-R176 HydrophobicContact CG-CG 4.2Å
163L88.5Confident91.7Very high106 Ų10695.9 Ų95.956%0.55541%0.408SS*.THydrogen-bonded Turntrans-50.4132.2-179.4-71.8165.6000111.1I149 L151 A165I149-L163 HydrophobicContact CB-CD2 4.11Å; I149-L163 HydrophobicContact CD1-CD1 4.27Å; I149-L163 HydrophobicContact CD1-CD2 3.9Å; I149-L163 HydrophobicContact CG2-CD2 3.67Å; L151-L163 HydrophobicContact CD2-CG 4.34Å; L163-A165 PolarHBondContact O-N 3.14Å; L163-A165 VanDerWaalsContact O-N 3.17Å
164R91.6Very high92.1Very high173 Ų17387.4 Ų87.465%0.65338%0.377SS*.THydrogen-bonded Turntrans63.17.2-177.2-54.7175.158.5-172.8-2.2116.1P162 Y178P162-R164 PolarHBondContact O-N 3.17Å; R164-Y178 PolarHBondContact O-N 2.94Å
165A93.5Very high92.3Very high1 Ų187.2 Ų87.21%0.00838%0.375CS..  trans-76.1146.3170.900000112V127 Q161 P162 L163 V175V127-A165 HydrophobicContact CG2-CB 4.22Å; Q161-A165 HydrophobicContact CB-CB 4.22Å; P162-A165 HydrophobicContact CG-CB 3.78Å; P162-A165 VanDerWaalsContact O-CB 3.27Å; P162-A165 WeakPolarHBondContact O-CB 3.4Å; P162-A165 PolarHBondContact O-N 3.29Å; L163-A165 PolarHBondContact O-N 3.14Å; L163-A165 VanDerWaalsContact O-N 3.17Å; A165-V175 WeakPolarHBondContact CA-O 3.49Å; A165-V175 WeakPolarHBondContact CB-O 3.39Å
166R94.7Very high92.5Very high151 Ų15180.9 Ų80.957%0.5735%0.351SS*.EExtended strand (participates in β ladder)trans-138.7156.9175.4-58.8-171.6-179.6-177.4-0.5110.6C174 V175 Y178R166-C174 WeakPolarHBondContact O-CA 3.12Å; R166-V175 PolarHBondContact N-O 2.99Å; R166-V175 PolarHBondContact O-N 2.89Å; R166-Y178 HydrophobicContact CB-CD1 3.78Å; R166-Y178 HydrophobicContact CB-CG 3.93Å; R166-Y178 HydrophobicContact CG-CD1 4.23Å
167H96.2Very high92.7Very high39 Ų3979.7 Ų79.718%0.18135%0.346CS..EExtended strand (participates in β ladder)trans-86.9122.2174.4-17992.1000109.3Y156 C157Y156-H167 AromaticContact CD2-CD2 3.8Å; Y156-H167 AromaticContact CD2-NE2 3.97Å; Y156-H167 AromaticContact CG-NE2 3.94Å; C157-H167 VanDerWaalsContact SG-CE1 3.51Å; C157-H167 PolarHBondContact SG-ND1 2.82Å
168C96.7Very high93Very high1 Ų180.4 Ų80.41%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-86.4126.5169.4168.10000108.7E170 C171 R172 R173 Y178 C188C168-E170 VanDerWaalsContact C-N 3.35Å; C168-E170 PolarHBondContact SG-OE2 3.11Å; C168-C171 HydrophobicContact CB-CB 4.28Å; C168-C171 PolarHBondContact SG-N 3.2Å; C168-R172 VanDerWaalsContact O-CA 3.26Å; C168-R172 WeakPolarHBondContact O-CA 3.27Å; C168-R172 PolarHBondContact O-N 3.43Å; C168-R173 PolarHBondContact N-O 2.82Å; C168-R173 PolarHBondContact O-N 3.24Å; C168-Y178 HydrophobicContact CB-CD2 4.47Å; C168-Y178 HydrophobicContact CB-CE2 3.82Å; C168-C188 VanDerWaalsContact CB-SG 3.59Å; C168-C188 PolarHBondContact SG-SG 3.16Å
169R96Very high93.4Very high180 Ų18079 Ų7968%0.67934%0.337SS*.THydrogen-bonded Turntrans-74.1-31.9-177.9-68.6179.9176.3-177-0.5111.4R172R169-R172 VanDerWaalsContact O-CG 3.31Å; R169-R172 WeakPolarHBondContact O-CG 3.33Å
170E94.9Very high93.9Very high115 Ų11581.2 Ų81.254%0.53735%0.347SS..THydrogen-bonded Turntrans-70.9-51.5-178.3-58.166.6-13400109.8C168 R172 H181C168-E170 VanDerWaalsContact C-N 3.35Å; C168-E170 PolarHBondContact SG-OE2 3.11Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 2.92Å; E170-H181 IonicContact OE2-CG 3.71Å
171C92.3Very high94.3Very high30 Ų3079.3 Ų79.320%0.20334%0.335CS..THydrogen-bonded Turntrans-81-10.1176.6-61.40000114.1Y126 C168 R173 H181 C188Y126-C171 HydrophobicContact CE1-CB 4.23Å; C168-C171 HydrophobicContact CB-CB 4.28Å; C168-C171 PolarHBondContact SG-N 3.2Å; C171-R173 WeakPolarHBondContact O-CG 3.48Å; C171-R173 PolarHBondContact O-N 3.35Å; C171-H181 PolarHBondContact SG-CE1 2.96Å; C171-H181 PolarHBondContact SG-ND1 3.46Å; C171-C188 PolarHBondContact SG-SG 2.85Å
172R94.5Very high94.7Very high202 Ų20278.5 Ų78.576%0.76233%0.332SS*.THydrogen-bonded Turntrans53.532.2-178.6-57.1-179.3-175.81711.6114.4C168 R169 E170C168-R172 VanDerWaalsContact O-CA 3.26Å; C168-R172 WeakPolarHBondContact O-CA 3.27Å; C168-R172 PolarHBondContact O-N 3.43Å; R169-R172 VanDerWaalsContact O-CG 3.31Å; R169-R172 WeakPolarHBondContact O-CG 3.33Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 2.92Å
173R93.5Very high94.9Very high143 Ų14379.1 Ų79.154%0.5434%0.336SS..EExtended strand (participates in β ladder)trans-139.1152-176.6-68.7176.7-172175.83.1110.6Y126 C168 C171Y126-R173 HydrophobicContact CD1-CB 3.43Å; Y126-R173 VanDerWaalsContact CD1-CB 3.43Å; Y126-R173 HydrophobicContact CD1-CG 4.23Å; Y126-R173 HydrophobicContact CE1-CB 3.68Å; Y126-R173 HydrophobicContact CE1-CG 4.41Å; Y126-R173 HydrophobicContact CG-CB 4.32Å; C168-R173 PolarHBondContact N-O 2.82Å; C168-R173 PolarHBondContact O-N 3.24Å; C171-R173 WeakPolarHBondContact O-CG 3.48Å; C171-R173 PolarHBondContact O-N 3.35Å
174C95.4Very high94.9Very high2 Ų283 Ų831%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-78.9135.1169.3-71.20000109.9Y126 V127 V159 R166Y126-C174 CarbonylContact C-O 3.6Å; Y126-C174 WeakPolarHBondContact CA-O 3.21Å; V127-C174 HydrophobicContact CB-CB 3.91Å; V127-C174 HydrophobicContact CG2-CB 3.94Å; V127-C174 PolarHBondContact N-O 3.34Å; V159-C174 HydrophobicContact CG2-CB 4.26Å; R166-C174 WeakPolarHBondContact O-CA 3.12Å
175V96.5Very high95Very high0 Ų075.1 Ų75.10%031%0.314CS..EExtended strand (participates in β ladder)trans-118.5134.7-179.7-177.60000109.1P124 Y126 A165 R166 Y178 C188P124-V175 HydrophobicContact CB-CG1 3.97Å; P124-V175 HydrophobicContact CG-CG1 4.22Å; Y126-V175 HydrophobicContact CD1-CG2 3.7Å; Y126-V175 HydrophobicContact CE1-CG2 3.6Å; A165-V175 WeakPolarHBondContact CA-O 3.49Å; A165-V175 WeakPolarHBondContact CB-O 3.39Å; R166-V175 PolarHBondContact N-O 2.99Å; R166-V175 PolarHBondContact O-N 2.89Å; V175-Y178 HydrophobicContact CB-CD2 3.94Å; V175-Y178 HydrophobicContact CG1-CD2 4.4Å; V175-Y178 HydrophobicContact CG2-CD2 4.26Å; V175-C188 HydrophobicContact CG1-CB 4.36Å; V175-C188 HydrophobicContact CG2-CB 3.93Å
176R95.1Very high95Very high97 Ų9779.2 Ų79.237%0.36633%0.333SS..THydrogen-bonded Turntrans-71.6139176-67.5-176.3-177.3143.80.6110.8G125 V127 P162 Y178 E191G125-R176 WeakPolarHBondContact O-CB 3.43Å; G125-R176 WeakPolarHBondContact O-CG 3.27Å; G125-R176 PolarHBondContact O-N 2.8Å; V127-R176 HydrophobicContact CG2-CG 3.68Å; P162-R176 HydrophobicContact CG-CG 4.2Å; R176-Y178 PolarHBondContact O-N 3.49Å; R176-Y178 VanDerWaalsContact O-N 3.14Å; R176-E191 HydrophobicContact CB-CB 4.06Å; R176-E191 WeakPolarHBondContact CD-OE2 3.41Å; R176-E191 PolarHBondContact O-N 2.82Å
177R95.3Very high95Very high132 Ų13272.7 Ų72.750%0.49831%0.31SS..THydrogen-bonded Turntrans4148.8-172.8-58.5-175.8178.7-167-7.6111.7D179 E191R177-D179 PolarHBondContact O-N 3.22Å; R177-E191 HydrophobicContact CB-CB 4.01Å; R177-E191 WeakPolarHBondContact CD-OE1 3.14Å; R177-E191 HydrophobicContact CG-CB 4.17Å; R177-E191 HydrophobicContact CG-CG 4.39Å; R177-E191 IonicContact CZ-OE1 3.66Å; R177-E191 IonicContact NE-OE1 3Å; R177-E191 PolarHBondContact NE-OE1 3.07Å
178Y96.4Very high95Very high49 Ų4970.8 Ų70.819%0.19230%0.301CS..  trans-55.9124.9-177173.6-94.4000110.3R164 R166 C168 V175 R176 H181R164-Y178 PolarHBondContact O-N 2.94Å; R166-Y178 HydrophobicContact CB-CD1 3.78Å; R166-Y178 HydrophobicContact CB-CG 3.93Å; R166-Y178 HydrophobicContact CG-CD1 4.23Å; C168-Y178 HydrophobicContact CB-CD2 4.47Å; C168-Y178 HydrophobicContact CB-CE2 3.82Å; V175-Y178 HydrophobicContact CB-CD2 3.94Å; V175-Y178 HydrophobicContact CG1-CD2 4.4Å; V175-Y178 HydrophobicContact CG2-CD2 4.26Å; R176-Y178 PolarHBondContact O-N 3.49Å; R176-Y178 VanDerWaalsContact O-N 3.14Å; Y178-H181 PolarHBondContact OH-N 3.01Å
179D97.2Very high95.1Very high83 Ų8370.8 Ų70.844%0.44430%0.301SS..  trans-96.5-70.3173.3-171.355000109.1R177 V189R177-D179 PolarHBondContact O-N 3.22Å; D179-V189 HydrophobicContact CB-CB 4.41Å; D179-V189 HydrophobicContact CB-CG1 4.34Å; D179-V189 WeakPolarHBondContact CB-O 3.34Å; D179-V189 PolarHBondContact N-O 3.48Å
180H97.3Very high95.1Very high59 Ų5962.3 Ų62.327%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-155164.7176.365.1-79000112.3V189 F197H180-V189 PolarHBondContact O-N 3.38Å; H180-F197 AromaticContact CE1-CE1 3.8Å; H180-F197 AromaticContact CE1-CZ 3.91Å; H180-F197 AromaticContact NE2-CZ 3.95Å
181H97.4Very high95.2Very high33 Ų3360.4 Ų60.415%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-87.5122.5161.8-179.180.2000107.8E170 C171 Y178 P183E170-H181 IonicContact OE2-CG 3.71Å; C171-H181 PolarHBondContact SG-CE1 2.96Å; C171-H181 PolarHBondContact SG-ND1 3.46Å; Y178-H181 PolarHBondContact OH-N 3.01Å; H181-P183 WeakPolarHBondContact O-CD 3.22Å
182C96.5Very high95.4Very high6 Ų665.6 Ų65.64%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-98.8111.1-179.2-173.80000109.5W184 M185 E186 N187 V189C182-W184 PolarHBondContact O-N 3.22Å; C182-M185 HydrophobicContact CB-CB 4.21Å; C182-M185 HydrophobicContact CB-CG 4.14Å; C182-M185 PolarHBondContact O-N 3.37Å; C182-E186 PolarHBondContact O-N 3.42Å; C182-N187 PolarHBondContact N-O 3.06Å; C182-N187 PolarHBondContact O-N 3.42Å; C182-V189 HydrophobicContact CB-CG2 4.26Å
183P92.9Very high95.5Very high60 Ų6056 Ų5639%0.3924%0.239SC..THydrogen-bonded Turntrans-64-26.8177.4-20.533.5000112.3R14 H181 M185 E186R14-P183 PolarHBondContact NH1-O 3.44Å; H181-P183 WeakPolarHBondContact O-CD 3.22Å; P183-M185 VanDerWaalsContact C-N 3.33Å; P183-M185 PolarHBondContact O-N 3.27Å; P183-E186 PolarHBondContact O-N 3.07Å
184W89.9Confident95.7Very high187 Ų18752.9 Ų52.971%0.70823%0.231SC*.THydrogen-bonded Turntrans-69-34.7-179.8-50.4110000112.3Y116 C182Y116-W184 PolarHBondContact OH-O 2.87Å; C182-W184 PolarHBondContact O-N 3.22Å
185M91.9Very high95.8Very high7 Ų756.3 Ų56.33%0.03425%0.253CS..THydrogen-bonded Turntrans-95.2-7.7179-52.7-58.6-80.600112.4Y116 V119 S120 C182 P183 N187 F197 Y200Y116-M185 HydrophobicContact CD2-CE 3.75Å; Y116-M185 HydrophobicContact CD2-SD 3.43Å; Y116-M185 WeakPolarHBondContact CD2-SD 3.31Å; Y116-M185 HydrophobicContact CE2-CE 4.2Å; Y116-M185 HydrophobicContact CE2-SD 3.47Å; Y116-M185 WeakPolarHBondContact CE2-SD 3.31Å; Y116-M185 HydrophobicContact CG-CE 4.38Å; Y116-M185 WeakPolarHBondContact O-CE 3.24Å; V119-M185 HydrophobicContact CB-CE 3.51Å; V119-M185 HydrophobicContact CG1-CE 3.54Å; S120-M185 WeakPolarHBondContact OG-CE 3.32Å; C182-M185 HydrophobicContact CB-CB 4.21Å; C182-M185 HydrophobicContact CB-CG 4.14Å; C182-M185 PolarHBondContact O-N 3.37Å; P183-M185 VanDerWaalsContact C-N 3.33Å; P183-M185 PolarHBondContact O-N 3.27Å; M185-N187 HydrophobicContact CB-CB 4.41Å; M185-N187 PolarHBondContact O-N 3.27Å; M185-N187 VanDerWaalsContact O-N 3.07Å; M185-F197 HydrophobicContact CG-CE2 4.41Å; M185-Y200 HydrophobicContact CE-CD1 4.49Å; M185-Y200 HydrophobicContact CE-CE1 4.43Å; M185-Y200 HydrophobicContact SD-CE1 4.11Å
186E93.4Very high95.8Very high88 Ų8859.4 Ų59.441%0.41127%0.269SS..THydrogen-bonded Turntrans47.833.9-170-70.9-68.7128.600112.7V11 R14 C182 P183V11-E186 HydrophobicContact CG2-CB 4.37Å; V11-E186 HydrophobicContact CG2-CG 4.15Å; R14-E186 IonicContact CZ-OE1 2.84Å; R14-E186 IonicContact NH1-OE1 3.81Å; R14-E186 PolarHBondContact NH1-OE1 3.01Å; R14-E186 IonicContact NH2-OE1 2.61Å; C182-E186 PolarHBondContact O-N 3.42Å; P183-E186 PolarHBondContact O-N 3.07Å
187N94.6Very high95.9Very high13 Ų1355.8 Ų55.87%0.0726%0.256CS..EExtended strand (participates in β ladder)trans-147.9156.9-175.3-164.611.6000110.7V119 S120 M122 Y126 C182 M185V119-N187 PolarHBondContact O-ND2 3.35Å; S120-N187 PolarHBondContact O-ND2 2.61Å; M122-N187 PolarHBondContact O-ND2 2.81Å; Y126-N187 PolarHBondContact OH-OD1 2.79Å; C182-N187 PolarHBondContact N-O 3.06Å; C182-N187 PolarHBondContact O-N 3.42Å; M185-N187 HydrophobicContact CB-CB 4.41Å; M185-N187 PolarHBondContact O-N 3.27Å; M185-N187 VanDerWaalsContact O-N 3.07Å
188C97.8Very high96Very high0 Ų053 Ų530%025%0.254CS..EExtended strand (participates in β ladder)trans-75.1151.3171.4-67.40000110.9P124 C168 C171 V175 N193P124-C188 HydrophobicContact CB-CB 4.06Å; P124-C188 VanDerWaalsContact CB-O 3.31Å; P124-C188 WeakPolarHBondContact CB-O 3.5Å; P124-C188 HydrophobicContact CG-CB 3.92Å; C168-C188 VanDerWaalsContact CB-SG 3.59Å; C168-C188 PolarHBondContact SG-SG 3.16Å; C171-C188 PolarHBondContact SG-SG 2.85Å; V175-C188 HydrophobicContact CG1-CB 4.36Å; V175-C188 HydrophobicContact CG2-CB 3.93Å; C188-N193 PolarHBondContact O-ND2 3.26Å
189V98.2Very high96.1Very high1 Ų154.4 Ų54.41%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-102122.2163.7-176.10000107.8D179 H180 C182 N193 H194 F197D179-V189 HydrophobicContact CB-CB 4.41Å; D179-V189 HydrophobicContact CB-CG1 4.34Å; D179-V189 WeakPolarHBondContact CB-O 3.34Å; D179-V189 PolarHBondContact N-O 3.48Å; H180-V189 PolarHBondContact O-N 3.38Å; C182-V189 HydrophobicContact CB-CG2 4.26Å; V189-N193 WeakPolarHBondContact CA-OD1 3.28Å; V189-H194 HydrophobicContact CG1-CB 4.08Å; V189-F197 HydrophobicContact CG1-CB 4.15Å; V189-F197 HydrophobicContact CG1-CD1 3.96Å; V189-F197 HydrophobicContact CG1-CG 4.08Å; V189-F197 HydrophobicContact CG2-CD1 4.18Å; V189-F197 HydrophobicContact CG2-CD2 3.94Å; V189-F197 HydrophobicContact CG2-CE1 4.34Å; V189-F197 HydrophobicContact CG2-CE2 4.12Å; V189-F197 HydrophobicContact CG2-CG 3.96Å; V189-F197 HydrophobicContact CG2-CZ 4.32Å
190G96.9Very high96.1Very high1 Ų152.3 Ų52.31%0.0125%0.254CS..  trans-150.4-168.8-175.300000111.8P124 R192 N193 H194P124-G190 CarbonylContact O-C 3.3Å; P124-G190 VanDerWaalsContact O-C 3.3Å; G190-R192 PolarHBondContact O-N 2.87Å; G190-N193 PolarHBondContact N-OD1 3.49Å; G190-N193 PolarHBondContact O-N 3.2Å; G190-N193 PolarHBondContact O-OD1 3.08Å; G190-H194 WeakPolarHBondContact O-CB 3.47Å; G190-H194 PolarHBondContact O-N 2.83Å
191E95.9Very high96.1Very high76 Ų7653.6 Ų53.636%0.35526%0.262SS..THydrogen-bonded Turntrans-46.5-42.7-172.2-177.6166.4-112.300114.8P124 R176 R177P124-E191 PolarHBondContact O-N 2.84Å; R176-E191 HydrophobicContact CB-CB 4.06Å; R176-E191 WeakPolarHBondContact CD-OE2 3.41Å; R176-E191 PolarHBondContact O-N 2.82Å; R177-E191 HydrophobicContact CB-CB 4.01Å; R177-E191 WeakPolarHBondContact CD-OE1 3.14Å; R177-E191 HydrophobicContact CG-CB 4.17Å; R177-E191 HydrophobicContact CG-CG 4.39Å; R177-E191 IonicContact CZ-OE1 3.66Å; R177-E191 IonicContact NE-OE1 3Å; R177-E191 PolarHBondContact NE-OE1 3.07Å
192R95.8Very high96.1Very high138 Ų13854.6 Ų54.652%0.52128%0.276SS..THydrogen-bonded Turntrans-85.3-31.4-170.8-63.8-175.677.7175.96.4114M122 D123 P124 G190M122-R192 HydrophobicContact CE-CB 4.24Å; M122-R192 WeakPolarHBondContact CE-O 3.19Å; D123-R192 VanDerWaalsContact O-CB 3.27Å; D123-R192 WeakPolarHBondContact O-CB 3.42Å; D123-R192 IonicContact OD2-CZ 3.96Å; D123-R192 IonicContact OD2-NH1 3.97Å; D123-R192 PolarHBondContact OD2-NH1 2.75Å; P124-R192 PolarHBondContact O-N 3.43Å; P124-R192 VanDerWaalsContact O-N 3.11Å; G190-R192 PolarHBondContact O-N 2.87Å
193N97.3Very high96.1Very high0 Ų055.8 Ų55.80%028%0.282CS..THydrogen-bonded Turntrans-108.9-10-175.469.3-14.9000113.9M122 C188 V189 G190 L196 F197M122-N193 HydrophobicContact CB-CB 4.25Å; M122-N193 HydrophobicContact CG-CB 4.09Å; M122-N193 HydrophobicContact SD-CB 3.72Å; C188-N193 PolarHBondContact O-ND2 3.26Å; V189-N193 WeakPolarHBondContact CA-OD1 3.28Å; G190-N193 PolarHBondContact N-OD1 3.49Å; G190-N193 PolarHBondContact O-N 3.2Å; G190-N193 PolarHBondContact O-OD1 3.08Å; N193-L196 PolarHBondContact O-N 3.02Å; N193-F197 WeakPolarHBondContact O-CB 3.43Å; N193-F197 PolarHBondContact O-N 2.85Å
194H97.4Very high96.2Very high78 Ų7854.8 Ų54.836%0.36127%0.272SS..Hα-helixtrans-51.7-46.8177-170.980.3000114.8V189 G190 L196 F197 V198V189-H194 HydrophobicContact CG1-CB 4.08Å; G190-H194 WeakPolarHBondContact O-CB 3.47Å; G190-H194 PolarHBondContact O-N 2.83Å; H194-L196 PolarHBondContact O-N 3.25Å; H194-F197 WeakPolarHBondContact O-CB 3.42Å; H194-F197 PolarHBondContact O-N 3.05Å; H194-V198 WeakPolarHBondContact O-CG2 3.41Å; H194-V198 PolarHBondContact O-N 3.17Å
195P97.3Very high96.6Very high75 Ų7550.7 Ų50.749%0.48726%0.263SS..Hα-helixtrans-63.5-40.7179.523.8-33.1000112.4F197 V198 V199P195-F197 VanDerWaalsContact C-N 3.35Å; P195-V198 PolarHBondContact O-N 3.38Å; P195-V199 WeakPolarHBondContact O-CG2 3.47Å; P195-V199 PolarHBondContact O-N 2.93Å; P195-V199 VanDerWaalsContact O-N 3.08Å
196L97Very high96.7Very high64 Ų6453.8 Ų53.834%0.33528%0.282SS..Hα-helixtrans-68.4-34.9176.7-67.8-178.8000112.1V119 M122 N193 H194 V198 V199 Y200V119-L196 HydrophobicContact CG2-CB 3.63Å; M122-L196 HydrophobicContact CE-CD1 4.42Å; M122-L196 HydrophobicContact SD-CD1 3.67Å; N193-L196 PolarHBondContact O-N 3.02Å; H194-L196 PolarHBondContact O-N 3.25Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 3.5Å; L196-V199 PolarHBondContact O-N 3.5Å; L196-Y200 WeakPolarHBondContact O-CB 3.39Å; L196-Y200 PolarHBondContact O-N 2.92Å
197F97.3Very high96.8Very high21 Ų2150 Ų509%0.09227%0.265CS..Hα-helixtrans-60.9-42172.9178.9-104.6000111.5V119 H180 M185 V189 N193 H194 P195 Y200 L201V119-F197 HydrophobicContact CG1-CB 4.08Å; V119-F197 HydrophobicContact CG1-CD2 4.12Å; H180-F197 AromaticContact CE1-CE1 3.8Å; H180-F197 AromaticContact CE1-CZ 3.91Å; H180-F197 AromaticContact NE2-CZ 3.95Å; M185-F197 HydrophobicContact CG-CE2 4.41Å; V189-F197 HydrophobicContact CG1-CB 4.15Å; V189-F197 HydrophobicContact CG1-CD1 3.96Å; V189-F197 HydrophobicContact CG1-CG 4.08Å; V189-F197 HydrophobicContact CG2-CD1 4.18Å; V189-F197 HydrophobicContact CG2-CD2 3.94Å; V189-F197 HydrophobicContact CG2-CE1 4.34Å; V189-F197 HydrophobicContact CG2-CE2 4.12Å; V189-F197 HydrophobicContact CG2-CG 3.96Å; V189-F197 HydrophobicContact CG2-CZ 4.32Å; N193-F197 WeakPolarHBondContact O-CB 3.43Å; N193-F197 PolarHBondContact O-N 2.85Å; H194-F197 WeakPolarHBondContact O-CB 3.42Å; H194-F197 PolarHBondContact O-N 3.05Å; P195-F197 VanDerWaalsContact C-N 3.35Å; F197-Y200 HydrophobicContact CD2-CD1 4.49Å; F197-Y200 WeakPolarHBondContact O-CB 3.46Å; F197-Y200 PolarHBondContact O-N 3.47Å; F197-L201 HydrophobicContact CD1-CD1 4.07Å; F197-L201 HydrophobicContact CE1-CD1 3.53Å; F197-L201 HydrophobicContact CE1-CG 4.18Å; F197-L201 HydrophobicContact CE2-CD2 4.44Å; F197-L201 HydrophobicContact CE2-CG 4.5Å; F197-L201 HydrophobicContact CZ-CD1 3.85Å; F197-L201 HydrophobicContact CZ-CD2 4.21Å; F197-L201 HydrophobicContact CZ-CG 4.18Å; F197-L201 WeakPolarHBondContact O-CG 3.13Å; F197-L201 PolarHBondContact O-N 3.47Å
198V97.9Very high96.7Very high75 Ų7555.3 Ų55.346%0.45529%0.293SS..Hα-helixtrans-64.9-42.7175.71760000111.6H194 P195 L196 Y200 L201 A202H194-V198 WeakPolarHBondContact O-CG2 3.41Å; H194-V198 PolarHBondContact O-N 3.17Å; P195-V198 PolarHBondContact O-N 3.38Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 3.5Å; V198-Y200 VanDerWaalsContact C-N 3.33Å; V198-Y200 PolarHBondContact O-N 3.01Å; V198-L201 PolarHBondContact O-N 3.41Å; V198-A202 PolarHBondContact O-N 3.18Å
199V97.9Very high96.5Very high78 Ų7861.9 Ų61.947%0.47333%0.327SS..Hα-helixtrans-61.4-42.5175.1172.80000111.2L115 P195 L196 A202 L203L115-V199 HydrophobicContact CD1-CG1 4.23Å; L115-V199 HydrophobicContact CD2-CG1 4.16Å; P195-V199 WeakPolarHBondContact O-CG2 3.47Å; P195-V199 PolarHBondContact O-N 2.93Å; P195-V199 VanDerWaalsContact O-N 3.08Å; L196-V199 PolarHBondContact O-N 3.5Å; V199-A202 PolarHBondContact O-N 3.48Å; V199-L203 WeakPolarHBondContact O-CB 3.43Å; V199-L203 PolarHBondContact O-N 2.91Å
200Y97.3Very high96.1Very high38 Ų3869.1 Ų69.115%0.14936%0.355CS..Hα-helixtrans-58.8-46.8175.1166.2-110.4000111.8L115 M185 L196 F197 V198 A202 L203 Q204L115-Y200 HydrophobicContact CB-CD2 4.12Å; M185-Y200 HydrophobicContact CE-CD1 4.49Å; M185-Y200 HydrophobicContact CE-CE1 4.43Å; M185-Y200 HydrophobicContact SD-CE1 4.11Å; L196-Y200 WeakPolarHBondContact O-CB 3.39Å; L196-Y200 PolarHBondContact O-N 2.92Å; F197-Y200 HydrophobicContact CD2-CD1 4.49Å; F197-Y200 WeakPolarHBondContact O-CB 3.46Å; F197-Y200 PolarHBondContact O-N 3.47Å; V198-Y200 VanDerWaalsContact C-N 3.33Å; V198-Y200 PolarHBondContact O-N 3.01Å; Y200-A202 PolarHBondContact O-N 3.08Å; Y200-L203 PolarHBondContact O-N 3Å; Y200-Q204 WeakPolarHBondContact O-CB 3.26Å; Y200-Q204 PolarHBondContact O-N 3.02Å
201L96.9Very high96Very high87 Ų8772.6 Ų72.646%0.45537%0.372SS..Hα-helixtrans-62.7-40.9177.2-67.6-179000112.5F197 V198 Q204 L205F197-L201 HydrophobicContact CD1-CD1 4.07Å; F197-L201 HydrophobicContact CE1-CD1 3.53Å; F197-L201 HydrophobicContact CE1-CG 4.18Å; F197-L201 HydrophobicContact CE2-CD2 4.44Å; F197-L201 HydrophobicContact CE2-CG 4.5Å; F197-L201 HydrophobicContact CZ-CD1 3.85Å; F197-L201 HydrophobicContact CZ-CD2 4.21Å; F197-L201 HydrophobicContact CZ-CG 4.18Å; F197-L201 WeakPolarHBondContact O-CG 3.13Å; F197-L201 PolarHBondContact O-N 3.47Å; V198-L201 PolarHBondContact O-N 3.41Å; L201-Q204 PolarHBondContact O-N 3.04Å; L201-L205 PolarHBondContact O-N 3.11Å
202A98Very high96Very high53 Ų5372.4 Ų72.444%0.43837%0.373SS..Hα-helixtrans-64.7-44.3177.200000111.7V198 V199 Y200 Q204 L205 V206V198-A202 PolarHBondContact O-N 3.18Å; V199-A202 PolarHBondContact O-N 3.48Å; Y200-A202 PolarHBondContact O-N 3.08Å; A202-Q204 VanDerWaalsContact C-N 3.34Å; A202-Q204 PolarHBondContact O-N 2.91Å; A202-L205 WeakPolarHBondContact O-CB 3.31Å; A202-L205 PolarHBondContact O-N 2.98Å; A202-V206 WeakPolarHBondContact O-CG2 3.15Å; A202-V206 PolarHBondContact O-N 3.33Å
203L96.7Very high96Very high31 Ų3168.7 Ų68.716%0.16237%0.365CS..Hα-helixtrans-63.5-41.2175.7-179.660.9000111.4L108 L115 V199 Y200 L205 V206 V207L108-L203 HydrophobicContact CD2-CD1 3.66Å; L115-L203 HydrophobicContact CD1-CD2 3.44Å; L115-L203 VanDerWaalsContact CD1-CD2 3.44Å; V199-L203 WeakPolarHBondContact O-CB 3.43Å; V199-L203 PolarHBondContact O-N 2.91Å; Y200-L203 PolarHBondContact O-N 3Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 3.47Å; L203-V206 PolarHBondContact O-N 3.13Å; L203-V207 HydrophobicContact CD1-CG2 4.45Å; L203-V207 WeakPolarHBondContact O-CG2 3.2Å; L203-V207 PolarHBondContact O-N 2.68Å
204Q95.6Very high96Very high40 Ų4072.8 Ų72.819%0.18739%0.386CS..Hα-helixtrans-61.8-39.4176.2-169.66045.100111.5S112 Y200 L201 A202 V207 L208S112-Q204 PolarHBondContact OG-OE1 3.38Å; S112-Q204 VanDerWaalsContact OG-OE1 3.05Å; Y200-Q204 WeakPolarHBondContact O-CB 3.26Å; Y200-Q204 PolarHBondContact O-N 3.02Å; L201-Q204 PolarHBondContact O-N 3.04Å; A202-Q204 VanDerWaalsContact C-N 3.34Å; A202-Q204 PolarHBondContact O-N 2.91Å; Q204-V207 PolarHBondContact O-N 3.33Å; Q204-L208 HydrophobicContact CG-CD1 4.3Å; Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 WeakPolarHBondContact O-CG 3.44Å; Q204-L208 PolarHBondContact O-N 2.94Å
205L96.6Very high95.9Very high100 Ų10072.4 Ų72.452%0.52439%0.388SS..Hα-helixtrans-62.3-44.4173.6179.763.3000111.5L201 A202 L203 V207 L208 L209L201-L205 PolarHBondContact O-N 3.11Å; A202-L205 WeakPolarHBondContact O-CB 3.31Å; A202-L205 PolarHBondContact O-N 2.98Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 3.47Å; L205-V207 VanDerWaalsContact C-N 3.35Å; L205-V207 PolarHBondContact O-N 3.37Å; L205-L208 PolarHBondContact O-N 3.47Å; L205-L209 HydrophobicContact CD1-CD1 3.96Å; L205-L209 HydrophobicContact CD1-CG 4.14Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 HydrophobicContact CG-CG 4.45Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.13Å; L205-L209 PolarHBondContact O-N 3.03Å
206V95.9Very high95.8Very high72 Ų7272.3 Ų72.344%0.43638%0.381SS..Hα-helixtrans-59.9-45.5176.61720000111.1L108 A202 L203 L208 L209 W210L108-V206 HydrophobicContact CD1-CG1 4.42Å; A202-V206 WeakPolarHBondContact O-CG2 3.15Å; A202-V206 PolarHBondContact O-N 3.33Å; L203-V206 PolarHBondContact O-N 3.13Å; V206-L208 VanDerWaalsContact C-N 3.29Å; V206-L208 PolarHBondContact O-N 3.09Å; V206-L209 PolarHBondContact O-N 3.17Å; V206-W210 PolarHBondContact O-N 2.96Å; V206-W210 VanDerWaalsContact O-N 3.1Å
207V94.1Very high95.7Very high8 Ų872.9 Ų72.95%0.04838%0.384CS..Hα-helixtrans-63.4-34.2177.6172.50000112.1W22 F105 L108 V109 L203 Q204 L205 L209W22-V207 HydrophobicContact CH2-CG1 3.96Å; F105-V207 HydrophobicContact CE2-CG1 4.38Å; L108-V207 HydrophobicContact CB-CG2 3.83Å; V109-V207 HydrophobicContact CG2-CG1 4.35Å; L203-V207 HydrophobicContact CD1-CG2 4.45Å; L203-V207 WeakPolarHBondContact O-CG2 3.2Å; L203-V207 PolarHBondContact O-N 2.68Å; Q204-V207 PolarHBondContact O-N 3.33Å; L205-V207 VanDerWaalsContact C-N 3.35Å; L205-V207 PolarHBondContact O-N 3.37Å; V207-L209 VanDerWaalsContact C-N 3.35Å
208L93Very high95.6Very high125 Ų12576.8 Ų76.865%0.65441%0.407SS*.Hα-helixtrans-75.3-23177.2-73171.6000113.6Q204 L205 V206Q204-L208 HydrophobicContact CG-CD1 4.3Å; Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 WeakPolarHBondContact O-CG 3.44Å; Q204-L208 PolarHBondContact O-N 2.94Å; L205-L208 PolarHBondContact O-N 3.47Å; V206-L208 VanDerWaalsContact C-N 3.29Å; V206-L208 PolarHBondContact O-N 3.09Å
209L93.7Very high95.4Very high138 Ų13877 Ų7772%0.72340%0.403SS*.Hα-helixtrans-93.7-10.2179.2-68.5175.4000113.1L205 V206 V207L205-L209 HydrophobicContact CD1-CD1 3.96Å; L205-L209 HydrophobicContact CD1-CG 4.14Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 HydrophobicContact CG-CG 4.45Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.13Å; L205-L209 PolarHBondContact O-N 3.03Å; V206-L209 PolarHBondContact O-N 3.17Å; V207-L209 VanDerWaalsContact C-N 3.35Å
210W88.8Confident95.1Very high154 Ų15476.9 Ų76.958%0.58340%0.396SS*.  trans-76.10174-169.5-76.9000110.6L101 T104 F105 L108 V206L101-W210 HydrophobicContact CD1-CH2 3.77Å; L101-W210 HydrophobicContact CD1-CZ2 3.25Å; L101-W210 HydrophobicContact CG-CZ2 3.66Å; T104-W210 WeakPolarHBondContact OG1-CH2 3.4Å; T104-W210 WeakPolarHBondContact OG1-CZ2 3.42Å; F105-W210 HydrophobicContact CD2-CB 4.48Å; F105-W210 AromaticContact CD2-CD1 3.49Å; F105-W210 VanDerWaalsContact CD2-CD1 3.49Å; F105-W210 AromaticContact CD2-CG 3.99Å; F105-W210 HydrophobicContact CD2-CG 3.99Å; F105-W210 AromaticContact CD2-NE1 3.89Å; L108-W210 HydrophobicContact CD1-CE3 4.09Å; L108-W210 HydrophobicContact CD1-CZ3 4.32Å; V206-W210 PolarHBondContact O-N 2.96Å; V206-W210 VanDerWaalsContact O-N 3.1Å

Retrieved 210 of 210 residues in 48.7 ms (Link to these results)