G4VPA2_SCHMA Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession G4VPA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 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
1M60.7Low73.2Confident201 Ų201141.5 Ų141.599%0.9964%0.635SS**  03.50-149.5172.1-179.100115.4N5M1-N5 PolarHBondContact O-ND2 3.29Å
2K75.5Confident73.6Confident188 Ų188133.8 Ų133.882%0.81760%0.6SS**Hα-helixtrans-86.1-37.3179.9-68.7-179.1178.81750113.9N5 Y6K2-N5 PolarHBondContact O-N 3.47Å; K2-Y6 PolarHBondContact O-N 3.49Å
3L74.4Confident73.7Confident131 Ų131134.5 Ų134.569%0.68660%0.596SS**Hα-helixtrans-63.6-46.3179.4-175.263.4000112.1N5 Y6 L7L3-N5 VanDerWaalsContact C-N 3.3Å; L3-N5 PolarHBondContact O-N 3.36Å; L3-Y6 WeakPolarHBondContact O-CB 3.24Å; L3-Y6 PolarHBondContact O-N 2.94Å; L3-L7 WeakPolarHBondContact O-CG 3.44Å; L3-L7 PolarHBondContact O-N 3.22Å
4F74.6Confident73.8Confident145 Ų145131 Ų13164%0.63659%0.585SS**Hα-helixtrans-63.3-35.4179.5-150.8-94.9000112.7L7 R8F4-L7 PolarHBondContact O-N 3.04Å; F4-R8 PolarHBondContact O-N 3.26Å
5N74.4Confident73.8Confident86 Ų86130.1 Ų130.146%0.4658%0.577SS.*Hα-helixtrans-71.2-31.4174.3-72.2-10.7000112.3M1 K2 L3 R8M1-N5 PolarHBondContact O-ND2 3.29Å; K2-N5 PolarHBondContact O-N 3.47Å; L3-N5 VanDerWaalsContact C-N 3.3Å; L3-N5 PolarHBondContact O-N 3.36Å; N5-R8 PolarHBondContact O-N 3.41Å
6Y70.1Confident74Confident124 Ų124125.4 Ų125.449%0.48656%0.559SS.*Hα-helixtrans-66.5-44.9172.3-175-94.9000111.7K2 L3 R8 R9 F12K2-Y6 PolarHBondContact O-N 3.49Å; L3-Y6 WeakPolarHBondContact O-CB 3.24Å; L3-Y6 PolarHBondContact O-N 2.94Å; Y6-R8 PolarHBondContact O-N 3.03Å; Y6-R9 PolarHBondContact O-N 3.31Å; Y6-F12 HydrophobicContact CD1-CD2 4.49Å; Y6-F12 AromaticContact CE1-CD2 3.95Å; Y6-F12 HydrophobicContact CE1-CD2 3.95Å; Y6-F12 HydrophobicContact CE1-CE2 4.27Å
7L74.9Confident73.8Confident74 Ų74124.4 Ų124.439%0.38757%0.565SS.*Hα-helixtrans-64-21.7176.5-61.3174.8000113.6L3 F4 F12L3-L7 WeakPolarHBondContact O-CG 3.44Å; L3-L7 PolarHBondContact O-N 3.22Å; F4-L7 PolarHBondContact O-N 3.04Å; L7-F12 HydrophobicContact CB-CD1 4.36Å; L7-F12 HydrophobicContact CB-CE1 4.17Å; L7-F12 HydrophobicContact CD2-CD1 4.07Å; L7-F12 HydrophobicContact CD2-CE1 3.22Å; L7-F12 HydrophobicContact CD2-CE2 4.2Å; L7-F12 HydrophobicContact CD2-CZ 3.31Å; L7-F12 HydrophobicContact CG-CE1 4.28Å; L7-F12 WeakPolarHBondContact O-CD1 3Å
8R70.2Confident73.8Confident164 Ų164120.1 Ų120.162%0.61955%0.552SS**THydrogen-bonded Turntrans-86.6-6.9178.7-79.1-172.773.21642.5114.9F4 N5 Y6F4-R8 PolarHBondContact O-N 3.26Å; N5-R8 PolarHBondContact O-N 3.41Å; Y6-R8 PolarHBondContact O-N 3.03Å
9R77.3Confident73.6Confident129 Ų129120.5 Ų120.549%0.48756%0.564SS.*SBendtrans-64.9140.8177.9-87.7177.6-107.1-112.7-7.3111.3Y6 E11 F12 R13Y6-R9 PolarHBondContact O-N 3.31Å; R9-E11 VanDerWaalsContact C-N 3.28Å; R9-E11 PolarHBondContact O-N 3.1Å; R9-F12 HydrophobicContact CB-CB 4.46Å; R9-F12 PolarHBondContact O-N 3.43Å; R9-F12 VanDerWaalsContact O-N 3.14Å; R9-R13 PolarHBondContact O-N 3.06Å; R9-R13 VanDerWaalsContact O-N 3.16Å
10K76.9Confident73.5Confident162 Ų162121.1 Ų121.170%0.70457%0.566SS**Hα-helixtrans-56.4-43.8177.4-173-179174-173.70111.3F12 R13 D14K10-F12 VanDerWaalsContact C-N 3.32Å; K10-F12 PolarHBondContact O-N 2.8Å; K10-R13 PolarHBondContact O-N 3.11Å; K10-R13 VanDerWaalsContact O-N 3.11Å; K10-D14 WeakPolarHBondContact O-CB 3.33Å; K10-D14 VanDerWaalsContact O-CG 3.3Å; K10-D14 PolarHBondContact O-N 3.26Å
11E76.2Confident73.4Confident153 Ų153117.5 Ų117.572%0.71555%0.549SS*.Hα-helixtrans-57.3-40.3176.7-62.7178.8140.100113.3R9 Y15R9-E11 VanDerWaalsContact C-N 3.28Å; R9-E11 PolarHBondContact O-N 3.1Å; E11-Y15 VanDerWaalsContact O-CB 3.31Å; E11-Y15 WeakPolarHBondContact O-CB 3.29Å; E11-Y15 PolarHBondContact O-N 2.94Å
12F77.6Confident73.9Confident48 Ų48114.8 Ų114.821%0.21153%0.528CS..Hα-helixtrans-71-36.3178.2-177.7-99.1000112Y6 L7 R9 K10 Y15 I16Y6-F12 HydrophobicContact CD1-CD2 4.49Å; Y6-F12 AromaticContact CE1-CD2 3.95Å; Y6-F12 HydrophobicContact CE1-CD2 3.95Å; Y6-F12 HydrophobicContact CE1-CE2 4.27Å; L7-F12 HydrophobicContact CB-CD1 4.36Å; L7-F12 HydrophobicContact CB-CE1 4.17Å; L7-F12 HydrophobicContact CD2-CD1 4.07Å; L7-F12 HydrophobicContact CD2-CE1 3.22Å; L7-F12 HydrophobicContact CD2-CE2 4.2Å; L7-F12 HydrophobicContact CD2-CZ 3.31Å; L7-F12 HydrophobicContact CG-CE1 4.28Å; L7-F12 WeakPolarHBondContact O-CD1 3Å; R9-F12 HydrophobicContact CB-CB 4.46Å; R9-F12 PolarHBondContact O-N 3.43Å; R9-F12 VanDerWaalsContact O-N 3.14Å; K10-F12 VanDerWaalsContact C-N 3.32Å; K10-F12 PolarHBondContact O-N 2.8Å; F12-Y15 PolarHBondContact O-N 3.47Å; F12-I16 HydrophobicContact CD1-CD1 3.83Å; F12-I16 HydrophobicContact CD1-CG1 4.43Å; F12-I16 HydrophobicContact CE1-CD1 3.13Å; F12-I16 HydrophobicContact CE1-CG1 4.02Å; F12-I16 HydrophobicContact CE2-CD1 4.38Å; F12-I16 HydrophobicContact CZ-CD1 3.47Å; F12-I16 VanDerWaalsContact CZ-CD1 3.47Å; F12-I16 HydrophobicContact CZ-CG1 4.09Å; F12-I16 WeakPolarHBondContact O-CG1 3.35Å; F12-I16 PolarHBondContact O-N 3.37Å
13R75.1Confident73.9Confident144 Ų144107.3 Ų107.354%0.54350%0.504SS..Hα-helixtrans-67.2-42.7173.8-67.7-176.4176.4-161.1-3.2111.8R9 K10 Y15 I16 T17R9-R13 PolarHBondContact O-N 3.06Å; R9-R13 VanDerWaalsContact O-N 3.16Å; K10-R13 PolarHBondContact O-N 3.11Å; K10-R13 VanDerWaalsContact O-N 3.11Å; R13-Y15 VanDerWaalsContact C-N 3.29Å; R13-Y15 PolarHBondContact O-N 2.94Å; R13-I16 PolarHBondContact O-N 3.24Å; R13-T17 WeakPolarHBondContact O-CB 3.34Å; R13-T17 WeakPolarHBondContact O-CG2 2.99Å; R13-T17 PolarHBondContact O-N 3.35Å; R13-T17 PolarHBondContact O-OG1 3Å
14D75.8Confident73.7Confident85 Ų85102.4 Ų102.446%0.45548%0.48SS..Hα-helixtrans-65.3-36.2176.1-66.5-12.2000110.3K10 T17 S18K10-D14 WeakPolarHBondContact O-CB 3.33Å; K10-D14 VanDerWaalsContact O-CG 3.3Å; K10-D14 PolarHBondContact O-N 3.26Å; D14-T17 WeakPolarHBondContact CA-OG1 3.27Å; D14-T17 PolarHBondContact O-N 3.45Å; D14-T17 PolarHBondContact O-OG1 2.79Å; D14-S18 VanDerWaalsContact O-CB 3.29Å; D14-S18 WeakPolarHBondContact O-CB 3.47Å; D14-S18 PolarHBondContact O-N 3.18Å
15Y73.2Confident73.5Confident117 Ų11798.7 Ų98.746%0.45947%0.466SS..Hα-helixtrans-64.2-48.3172.7-174.1-107.4000112.4E11 F12 R13 T17 S18 F21E11-Y15 VanDerWaalsContact O-CB 3.31Å; E11-Y15 WeakPolarHBondContact O-CB 3.29Å; E11-Y15 PolarHBondContact O-N 2.94Å; F12-Y15 PolarHBondContact O-N 3.47Å; R13-Y15 VanDerWaalsContact C-N 3.29Å; R13-Y15 PolarHBondContact O-N 2.94Å; Y15-T17 VanDerWaalsContact C-N 3.28Å; Y15-T17 PolarHBondContact O-N 3.35Å; Y15-S18 WeakPolarHBondContact O-CB 3.48Å; Y15-S18 PolarHBondContact O-N 3.21Å; Y15-F21 HydrophobicContact CD1-CB 4.41Å; Y15-F21 AromaticContact CD1-CD2 3.81Å; Y15-F21 HydrophobicContact CD1-CD2 3.81Å; Y15-F21 HydrophobicContact CD1-CE2 4.38Å; Y15-F21 HydrophobicContact CD1-CG 4.37Å; Y15-F21 HydrophobicContact CE1-CB 4.29Å; Y15-F21 AromaticContact CE1-CD2 3.35Å; Y15-F21 HydrophobicContact CE1-CD2 3.35Å; Y15-F21 AromaticContact CE1-CE2 3.99Å; Y15-F21 HydrophobicContact CE1-CE2 3.99Å; Y15-F21 HydrophobicContact CE1-CG 4.2Å; Y15-F21 WeakPolarHBondContact O-CB 3.27Å
16I76.4Confident73.5Confident56 Ų5698 Ų9829%0.28747%0.473SS..Hα-helixtrans-62.4-34.1177.1-73.9-179.3000112.3F12 R13 F21 W22F12-I16 HydrophobicContact CD1-CD1 3.83Å; F12-I16 HydrophobicContact CD1-CG1 4.43Å; F12-I16 HydrophobicContact CE1-CD1 3.13Å; F12-I16 HydrophobicContact CE1-CG1 4.02Å; F12-I16 HydrophobicContact CE2-CD1 4.38Å; F12-I16 HydrophobicContact CZ-CD1 3.47Å; F12-I16 VanDerWaalsContact CZ-CD1 3.47Å; F12-I16 HydrophobicContact CZ-CG1 4.09Å; F12-I16 WeakPolarHBondContact O-CG1 3.35Å; F12-I16 PolarHBondContact O-N 3.37Å; R13-I16 PolarHBondContact O-N 3.24Å; I16-F21 HydrophobicContact CB-CD1 4.36Å; I16-F21 HydrophobicContact CB-CE1 4.27Å; I16-F21 HydrophobicContact CG1-CD1 4.39Å; I16-F21 HydrophobicContact CG1-CE1 3.96Å; I16-F21 HydrophobicContact CG1-CZ 4.02Å; I16-F21 HydrophobicContact CG2-CD1 4.41Å; I16-F21 HydrophobicContact CG2-CE1 4.13Å; I16-F21 WeakPolarHBondContact O-CD1 3.5Å; I16-W22 VanDerWaalsContact O-CD1 3.25Å; I16-W22 PolarHBondContact O-NE1 3.37Å
17T71.9Confident73.7Confident107 Ų10795.2 Ų95.266%0.65647%0.466SS*.Hα-helixtrans-87.2-10.4-179.452.60000113.2R13 D14 Y15R13-T17 WeakPolarHBondContact O-CB 3.34Å; R13-T17 WeakPolarHBondContact O-CG2 2.99Å; R13-T17 PolarHBondContact O-N 3.35Å; R13-T17 PolarHBondContact O-OG1 3Å; D14-T17 WeakPolarHBondContact CA-OG1 3.27Å; D14-T17 PolarHBondContact O-N 3.45Å; D14-T17 PolarHBondContact O-OG1 2.79Å; Y15-T17 VanDerWaalsContact C-N 3.28Å; Y15-T17 PolarHBondContact O-N 3.35Å
18S73.7Confident73.6Confident48 Ų4897.8 Ų97.834%0.33647%0.471SS..SBendtrans-73.8140.4173.5-177.70000111.4D14 Y15 H20 F21D14-S18 VanDerWaalsContact O-CB 3.29Å; D14-S18 WeakPolarHBondContact O-CB 3.47Å; D14-S18 PolarHBondContact O-N 3.18Å; Y15-S18 WeakPolarHBondContact O-CB 3.48Å; Y15-S18 PolarHBondContact O-N 3.21Å; S18-H20 PolarHBondContact O-N 2.97Å; S18-H20 VanDerWaalsContact O-N 3.11Å; S18-H20 PolarHBondContact OG-N 3.07Å; S18-F21 PolarHBondContact O-N 3.38Å
19T70Confident74Confident127 Ų12791.7 Ų91.778%0.77946%0.459SS*.Hα-helixtrans-59.1-22172.949.10000112.4F21 G23T19-F21 VanDerWaalsContact C-N 3.26Å; T19-F21 PolarHBondContact O-N 3.07Å; T19-G23 PolarHBondContact O-N 3.37Å
20H70.4Confident73.9Confident133 Ų13390.5 Ų90.562%0.61646%0.462SS*.Hα-helixtrans-69.7-19.5177.2-160.9-92.4000113.6S18 P24S18-H20 PolarHBondContact O-N 2.97Å; S18-H20 VanDerWaalsContact O-N 3.11Å; S18-H20 PolarHBondContact OG-N 3.07Å; H20-P24 WeakPolarHBondContact O-CD 3.31Å; H20-P24 VanDerWaalsContact O-CG 3.27Å; H20-P24 WeakPolarHBondContact O-CG 3.32Å
21F71.9Confident73.9Confident46 Ų4682.9 Ų82.920%0.20243%0.429CS..Hα-helixtrans-88.2-45.9173.1174-107.3000112.1Y15 I16 S18 T19 G23 P24 I25Y15-F21 HydrophobicContact CD1-CB 4.41Å; Y15-F21 AromaticContact CD1-CD2 3.81Å; Y15-F21 HydrophobicContact CD1-CD2 3.81Å; Y15-F21 HydrophobicContact CD1-CE2 4.38Å; Y15-F21 HydrophobicContact CD1-CG 4.37Å; Y15-F21 HydrophobicContact CE1-CB 4.29Å; Y15-F21 AromaticContact CE1-CD2 3.35Å; Y15-F21 HydrophobicContact CE1-CD2 3.35Å; Y15-F21 AromaticContact CE1-CE2 3.99Å; Y15-F21 HydrophobicContact CE1-CE2 3.99Å; Y15-F21 HydrophobicContact CE1-CG 4.2Å; Y15-F21 WeakPolarHBondContact O-CB 3.27Å; I16-F21 HydrophobicContact CB-CD1 4.36Å; I16-F21 HydrophobicContact CB-CE1 4.27Å; I16-F21 HydrophobicContact CG1-CD1 4.39Å; I16-F21 HydrophobicContact CG1-CE1 3.96Å; I16-F21 HydrophobicContact CG1-CZ 4.02Å; I16-F21 HydrophobicContact CG2-CD1 4.41Å; I16-F21 HydrophobicContact CG2-CE1 4.13Å; I16-F21 WeakPolarHBondContact O-CD1 3.5Å; S18-F21 PolarHBondContact O-N 3.38Å; T19-F21 VanDerWaalsContact C-N 3.26Å; T19-F21 PolarHBondContact O-N 3.07Å; F21-G23 VanDerWaalsContact C-N 3.34Å; F21-G23 PolarHBondContact O-N 3.34Å; F21-P24 WeakPolarHBondContact O-CD 3.47Å; F21-I25 HydrophobicContact CD1-CD1 3.69Å; F21-I25 HydrophobicContact CD2-CD1 3.98Å; F21-I25 HydrophobicContact CE1-CD1 3.18Å; F21-I25 HydrophobicContact CE2-CD1 3.52Å; F21-I25 HydrophobicContact CG-CD1 4.1Å; F21-I25 HydrophobicContact CZ-CD1 3.11Å; F21-I25 HydrophobicContact CZ-CG1 4.44Å; F21-I25 WeakPolarHBondContact O-CG1 3.29Å; F21-I25 PolarHBondContact O-N 3.29Å
22W72.1Confident74.1Confident143 Ų14380.9 Ų80.954%0.54242%0.422SS..Hα-helixtrans-69.8-29.1-179.7-73.5102.7000113.2I16 I25 A26I16-W22 VanDerWaalsContact O-CD1 3.25Å; I16-W22 PolarHBondContact O-NE1 3.37Å; W22-I25 HydrophobicContact CE3-CB 4.41Å; W22-I25 HydrophobicContact CE3-CG2 4.05Å; W22-I25 HydrophobicContact CZ3-CG2 4.09Å; W22-I25 PolarHBondContact O-N 3.46Å; W22-A26 VanDerWaalsContact O-CB 3.24Å; W22-A26 WeakPolarHBondContact O-CB 3.4Å; W22-A26 PolarHBondContact O-N 3.19Å
23G73.9Confident74.4Confident31 Ų3181.3 Ų81.332%0.3243%0.434SS..Hα-helixtrans-55.7-58.4174.200000112.3T19 F21 I25 A26 N27T19-G23 PolarHBondContact O-N 3.37Å; F21-G23 VanDerWaalsContact C-N 3.34Å; F21-G23 PolarHBondContact O-N 3.34Å; G23-I25 PolarHBondContact O-N 2.89Å; G23-A26 PolarHBondContact O-N 3.16Å; G23-N27 PolarHBondContact O-N 2.86Å; G23-N27 PolarHBondContact O-ND2 2.81Å
24P70.3Confident74.7Confident28 Ų2875 Ų7518%0.18241%0.413CS..Hα-helixtrans-55.7-47172.2-2733.3000113.4H20 F21 A26 N27 W28 L73H20-P24 WeakPolarHBondContact O-CD 3.31Å; H20-P24 VanDerWaalsContact O-CG 3.27Å; H20-P24 WeakPolarHBondContact O-CG 3.32Å; F21-P24 WeakPolarHBondContact O-CD 3.47Å; P24-A26 VanDerWaalsContact C-N 3.34Å; P24-A26 PolarHBondContact O-N 3.5Å; P24-N27 WeakPolarHBondContact O-CA 3.42Å; P24-N27 WeakPolarHBondContact O-CB 3.5Å; P24-N27 PolarHBondContact O-N 3.32Å; P24-W28 VanDerWaalsContact O-CD1 3.28Å; P24-W28 PolarHBondContact O-N 2.98Å; P24-L73 HydrophobicContact CB-CD1 4.25Å; P24-L73 HydrophobicContact CB-CD2 3.95Å; P24-L73 HydrophobicContact CG-CD1 3.79Å; P24-L73 HydrophobicContact CG-CD2 4.27Å
25I72Confident74.9Confident67 Ų6775.2 Ų75.234%0.34441%0.414SS..Hα-helixtrans-62.7-40.1-178.1-72.8178.5000112.3F21 W22 G23 N27 W28 G29F21-I25 HydrophobicContact CD1-CD1 3.69Å; F21-I25 HydrophobicContact CD2-CD1 3.98Å; F21-I25 HydrophobicContact CE1-CD1 3.18Å; F21-I25 HydrophobicContact CE2-CD1 3.52Å; F21-I25 HydrophobicContact CG-CD1 4.1Å; F21-I25 HydrophobicContact CZ-CD1 3.11Å; F21-I25 HydrophobicContact CZ-CG1 4.44Å; F21-I25 WeakPolarHBondContact O-CG1 3.29Å; F21-I25 PolarHBondContact O-N 3.29Å; W22-I25 HydrophobicContact CE3-CB 4.41Å; W22-I25 HydrophobicContact CE3-CG2 4.05Å; W22-I25 HydrophobicContact CZ3-CG2 4.09Å; W22-I25 PolarHBondContact O-N 3.46Å; G23-I25 PolarHBondContact O-N 2.89Å; I25-N27 VanDerWaalsContact C-N 3.25Å; I25-N27 PolarHBondContact O-N 2.79Å; I25-W28 WeakPolarHBondContact O-CA 3.45Å; I25-W28 WeakPolarHBondContact O-CB 3.49Å; I25-W28 PolarHBondContact O-N 2.98Å; I25-G29 PolarHBondContact O-N 3.35Å
26A73.3Confident75.3Confident72 Ų7271.4 Ų71.460%0.59541%0.41SS*.Hα-helixtrans-60.5-37.7174.300000111.3W22 G23 P24 W28 G29W22-A26 VanDerWaalsContact O-CB 3.24Å; W22-A26 WeakPolarHBondContact O-CB 3.4Å; W22-A26 PolarHBondContact O-N 3.19Å; G23-A26 PolarHBondContact O-N 3.16Å; P24-A26 VanDerWaalsContact C-N 3.34Å; P24-A26 PolarHBondContact O-N 3.5Å; A26-W28 VanDerWaalsContact C-N 3.32Å; A26-W28 PolarHBondContact O-N 3.45Å; A26-G29 PolarHBondContact O-N 3.39Å; A26-G29 VanDerWaalsContact O-N 3.14Å
27N74.3Confident75.5Confident66 Ų6672.4 Ų72.435%0.35342%0.416SS..Hα-helixtrans-67.7-30.1173.9-74.9-77.2000112.9G23 P24 I25 G29 P31 C77G23-N27 PolarHBondContact O-N 2.86Å; G23-N27 PolarHBondContact O-ND2 2.81Å; P24-N27 WeakPolarHBondContact O-CA 3.42Å; P24-N27 WeakPolarHBondContact O-CB 3.5Å; P24-N27 PolarHBondContact O-N 3.32Å; I25-N27 VanDerWaalsContact C-N 3.25Å; I25-N27 PolarHBondContact O-N 2.79Å; N27-G29 PolarHBondContact O-N 3.48Å; N27-P31 WeakPolarHBondContact O-CD 3.47Å; N27-C77 PolarHBondContact O-SG 3.26Å
28W73.2Confident75.8Confident128 Ų12869.2 Ų69.249%0.48540%0.395SS..Hα-helixtrans-72.8-14.5172.5-83.785.8000113.7P24 I25 A26 L30 P31 L32P24-W28 VanDerWaalsContact O-CD1 3.28Å; P24-W28 PolarHBondContact O-N 2.98Å; I25-W28 WeakPolarHBondContact O-CA 3.45Å; I25-W28 WeakPolarHBondContact O-CB 3.49Å; I25-W28 PolarHBondContact O-N 2.98Å; A26-W28 VanDerWaalsContact C-N 3.32Å; A26-W28 PolarHBondContact O-N 3.45Å; W28-L30 PolarHBondContact O-N 3.23Å; W28-P31 HydrophobicContact CE3-CB 4.44Å; W28-P31 WeakPolarHBondContact O-CD 3.5Å; W28-L32 WeakPolarHBondContact O-CB 3.06Å; W28-L32 WeakPolarHBondContact O-CG 3.24Å; W28-L32 PolarHBondContact O-N 3.36Å; W28-L32 VanDerWaalsContact O-N 3.08Å
29G77.9Confident76Confident35 Ų3575.2 Ų75.236%0.36142%0.415SS..Hα-helixtrans-58.1-35.9172.100000112.8I25 A26 N27 A33I25-G29 PolarHBondContact O-N 3.35Å; A26-G29 PolarHBondContact O-N 3.39Å; A26-G29 VanDerWaalsContact O-N 3.14Å; N27-G29 PolarHBondContact O-N 3.48Å; G29-A33 WeakPolarHBondContact O-CB 3.31Å; G29-A33 PolarHBondContact O-N 2.85Å
30L74.7Confident76.4Confident105 Ų10573 Ų7355%0.5540%0.399SS..Hα-helixtrans-67.9-51.6178.9-66.8171.7000112.6W28 L32 A33 A34 N81W28-L30 PolarHBondContact O-N 3.23Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 3.38Å; L30-A33 WeakPolarHBondContact O-CB 3.47Å; L30-A33 PolarHBondContact O-N 3.43Å; L30-A34 PolarHBondContact O-N 3.04Å; L30-N81 PolarHBondContact O-OD1 3.27Å
31P78.2Confident76.7Confident2 Ų268.1 Ų68.11%0.01338%0.377CS..Hα-helixtrans-56.2-42.4171.4-30.334.3000114N27 W28 A33 A34 L35 A80 N81N27-P31 WeakPolarHBondContact O-CD 3.47Å; W28-P31 HydrophobicContact CE3-CB 4.44Å; W28-P31 WeakPolarHBondContact O-CD 3.5Å; P31-A33 VanDerWaalsContact C-N 3.33Å; P31-A33 PolarHBondContact O-N 3.39Å; P31-A34 PolarHBondContact O-N 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 VanDerWaalsContact O-CG 3.32Å; P31-L35 WeakPolarHBondContact O-CG 3.13Å; P31-L35 PolarHBondContact O-N 2.96Å; P31-A80 HydrophobicContact CB-CB 3.67Å; P31-A80 HydrophobicContact CG-CB 3.81Å; P31-N81 WeakPolarHBondContact CA-OD1 3.42Å
32L81.1Confident77Confident110 Ų11066.4 Ų66.458%0.57637%0.37SS*.Hα-helixtrans-65.1-38.8178.5-73.7171.8000111.7W28 L30 L35 G36W28-L32 WeakPolarHBondContact O-CB 3.06Å; W28-L32 WeakPolarHBondContact O-CG 3.24Å; W28-L32 PolarHBondContact O-N 3.36Å; W28-L32 VanDerWaalsContact O-N 3.08Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 3.38Å; L32-L35 PolarHBondContact O-N 3.14Å; L32-G36 PolarHBondContact O-N 3.47Å
33A82.5Confident77.4Confident57 Ų5763 Ų6347%0.47136%0.36SS..Hα-helixtrans-63.4-44.4172.400000111.4G29 L30 P31 L35 G36 D37G29-A33 WeakPolarHBondContact O-CB 3.31Å; G29-A33 PolarHBondContact O-N 2.85Å; L30-A33 WeakPolarHBondContact O-CB 3.47Å; L30-A33 PolarHBondContact O-N 3.43Å; P31-A33 VanDerWaalsContact C-N 3.33Å; P31-A33 PolarHBondContact O-N 3.39Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L35 PolarHBondContact O-N 2.81Å; A33-G36 WeakPolarHBondContact O-CA 3.33Å; A33-G36 PolarHBondContact O-N 3.47Å; A33-D37 PolarHBondContact O-N 3.34Å
34A80.9Confident77.7Confident12 Ų1269.5 Ų69.510%0.09938%0.38CS..Hα-helixtrans-62.9-37177.200000112.5L30 P31 D37 A84L30-A34 PolarHBondContact O-N 3.04Å; P31-A34 PolarHBondContact O-N 3.25Å; A34-D37 PolarHBondContact O-N 3.11Å; A34-A84 HydrophobicContact CB-CB 3.62Å
35L80.6Confident78.2Confident90 Ų9069 Ų6947%0.47138%0.376SS..Hα-helixtrans-67.7-36.9171.3-71.6174.3000112.1P31 L32 A33 D37 L38 A84P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 VanDerWaalsContact O-CG 3.32Å; P31-L35 WeakPolarHBondContact O-CG 3.13Å; P31-L35 PolarHBondContact O-N 2.96Å; L32-L35 PolarHBondContact O-N 3.14Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L35 PolarHBondContact O-N 2.81Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 3.16Å; L35-L38 HydrophobicContact CD2-CD1 3.79Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.31Å; L35-L38 PolarHBondContact O-N 3.14Å; L35-A84 HydrophobicContact CD2-CB 4.39Å
36G81.8Confident78.8Confident37 Ų3768.8 Ų68.838%0.38138%0.38SS..Hα-helixtrans-60.1-40.8172.800000112.2L32 A33 L38 K39L32-G36 PolarHBondContact O-N 3.47Å; A33-G36 WeakPolarHBondContact O-CA 3.33Å; A33-G36 PolarHBondContact O-N 3.47Å; G36-L38 PolarHBondContact O-N 3.43Å; G36-K39 WeakPolarHBondContact O-CB 3.36Å; G36-K39 PolarHBondContact O-N 2.88Å
37D80.4Confident79.3Confident77 Ų7765.7 Ų65.741%0.41236%0.355SS..Hα-helixtrans-65-17.9177.2-78.3-21.9000113.7A33 A34 L35 K39 N40A33-D37 PolarHBondContact O-N 3.34Å; A34-D37 PolarHBondContact O-N 3.11Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 3.16Å; D37-K39 PolarHBondContact O-N 3.35Å; D37-N40 WeakPolarHBondContact O-CB 3.15Å; D37-N40 PolarHBondContact O-N 3.25Å; D37-N40 VanDerWaalsContact O-N 3.11Å; D37-N40 PolarHBondContact OD1-ND2 3.3Å
38L78.5Confident80Confident39 Ų3971.4 Ų71.420%0.20438%0.377CS..THydrogen-bonded Turntrans-65.2-19.1171.4-61.8175.2000113.1L35 G36 C87 Q88 R91L35-L38 HydrophobicContact CD2-CD1 3.79Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.31Å; L35-L38 PolarHBondContact O-N 3.14Å; G36-L38 PolarHBondContact O-N 3.43Å; L38-C87 HydrophobicContact CD1-CB 4.45Å; L38-C87 HydrophobicContact CD2-CB 3.84Å; L38-Q88 HydrophobicContact CD2-CB 4.46Å; L38-Q88 HydrophobicContact CD2-CG 3.51Å; L38-R91 PolarHBondContact O-NH1 3.47Å; L38-R91 PolarHBondContact O-NH2 3.37Å
39K78Confident80.7Confident175 Ų17571.6 Ų71.676%0.76138%0.384SS*.THydrogen-bonded Turntrans-85.9-15.1174.8-63.2-175.3178.2-178.10113G36 D37G36-K39 WeakPolarHBondContact O-CB 3.36Å; G36-K39 PolarHBondContact O-N 2.88Å; D37-K39 PolarHBondContact O-N 3.35Å
40N78Confident81.1Confident81 Ų8170.3 Ų70.343%0.43337%0.37SS..SBendtrans-72.6158.8-178-76.2-37000112.1D37 R91D37-N40 WeakPolarHBondContact O-CB 3.15Å; D37-N40 PolarHBondContact O-N 3.25Å; D37-N40 VanDerWaalsContact O-N 3.11Å; D37-N40 PolarHBondContact OD1-ND2 3.3Å; N40-R91 PolarHBondContact O-NH1 3.25Å; N40-R91 PolarHBondContact O-NH2 2.98Å
41N77.6Confident81.8Confident29 Ų2967.5 Ų67.516%0.15536%0.357CS..  trans-41.6120.6172.8-95.8-57.4000112.2E43 K44 Y111N41-E43 PolarHBondContact O-N 3.03Å; N41-E43 VanDerWaalsContact O-N 3.17Å; N41-K44 HydrophobicContact CB-CB 4.31Å; N41-K44 HydrophobicContact CB-CD 4.05Å; N41-K44 HydrophobicContact CB-CG 3.88Å; N41-K44 PolarHBondContact O-N 2.84Å; N41-Y111 HydrophobicContact CB-CD1 4.49Å; N41-Y111 VanDerWaalsContact CG-CB 3.46Å; N41-Y111 VanDerWaalsContact CG-CG 3.42Å; N41-Y111 VanDerWaalsContact ND2-CB 3.33Å; N41-Y111 WeakPolarHBondContact ND2-CB 3.46Å; N41-Y111 WeakPolarHBondContact OD1-CB 3.36Å; N41-Y111 VanDerWaalsContact OD1-CD1 3.29Å; N41-Y111 WeakPolarHBondContact OD1-CD1 3.38Å; N41-Y111 WeakPolarHBondContact OD1-CD2 3.2Å
42P78.4Confident82.4Confident11 Ų1170.2 Ų70.27%0.07138%0.38CS..G310 helixtrans-64.2-21.6179.227.1-34.4000112.9K44 I45 Y95 I107P42-K44 VanDerWaalsContact C-N 3.34Å; P42-I45 HydrophobicContact CB-CD1 4.32Å; P42-I45 WeakPolarHBondContact O-CB 3.26Å; P42-I45 WeakPolarHBondContact O-CG1 3.26Å; P42-I45 PolarHBondContact O-N 3.45Å; P42-Y95 HydrophobicContact CB-CD2 4.03Å; P42-Y95 HydrophobicContact CB-CG 4.18Å; P42-Y95 HydrophobicContact CG-CD2 3.73Å; P42-Y95 HydrophobicContact CG-CE2 4.11Å; P42-Y95 HydrophobicContact CG-CG 4.38Å; P42-I107 HydrophobicContact CG-CG2 3.82Å
43E79.9Confident82.7Confident71 Ų7168.4 Ų68.433%0.33237%0.37SS..G310 helixtrans-70.3-28175.2-175.8169.2-159.300113.3N41 I45 Y95 R108N41-E43 PolarHBondContact O-N 3.03Å; N41-E43 VanDerWaalsContact O-N 3.17Å; E43-I45 PolarHBondContact O-N 3Å; E43-Y95 HydrophobicContact CB-CE1 4.04Å; E43-Y95 HydrophobicContact CG-CE1 4.31Å; E43-R108 VanDerWaalsContact CD-NE 3.3Å; E43-R108 IonicContact OE1-CZ 3.24Å; E43-R108 VanDerWaalsContact OE1-CZ 3.24Å; E43-R108 IonicContact OE1-NE 2.91Å; E43-R108 PolarHBondContact OE1-NE 3.13Å; E43-R108 IonicContact OE1-NH2 2.73Å; E43-R108 PolarHBondContact OE1-NH2 3.32Å; E43-R108 WeakPolarHBondContact OE2-CG 3.35Å; E43-R108 IonicContact OE2-NE 3.07Å; E43-R108 PolarHBondContact OE2-NE 3.46Å; E43-R108 VanDerWaalsContact OE2-NE 3.07Å
44K80.8Confident83Confident167 Ų16767.2 Ų67.273%0.72636%0.355SS*.G310 helixtrans-76.2-8.2178-67.3-175.6179.7-1790112.6N41 P42 S46N41-K44 HydrophobicContact CB-CB 4.31Å; N41-K44 HydrophobicContact CB-CD 4.05Å; N41-K44 HydrophobicContact CB-CG 3.88Å; N41-K44 PolarHBondContact O-N 2.84Å; P42-K44 VanDerWaalsContact C-N 3.34Å; K44-S46 PolarHBondContact O-N 3.21Å
45I81.1Confident83.5Confident19 Ų1972.9 Ų72.910%0.09738%0.378CS..  trans-74.1117.7-178.4-55.6174.3000108.8P42 E43 G47 Q88 R91 Y92P42-I45 HydrophobicContact CB-CD1 4.32Å; P42-I45 WeakPolarHBondContact O-CB 3.26Å; P42-I45 WeakPolarHBondContact O-CG1 3.26Å; P42-I45 PolarHBondContact O-N 3.45Å; E43-I45 PolarHBondContact O-N 3Å; I45-G47 PolarHBondContact O-N 2.93Å; I45-Q88 HydrophobicContact CG2-CB 4.47Å; I45-R91 HydrophobicContact CD1-CB 4.09Å; I45-Y92 HydrophobicContact CB-CD2 4.27Å; I45-Y92 HydrophobicContact CG2-CD2 4.17Å; I45-Y92 HydrophobicContact CG2-CG 4.43Å; I45-Y92 VanDerWaalsContact O-CD2 3.24Å; I45-Y92 WeakPolarHBondContact O-CD2 3.37Å; I45-Y92 WeakPolarHBondContact O-CE2 3.34Å
46S84Confident83.9Confident61 Ų6174 Ų7443%0.42738%0.377SS..  trans-84.4104.8173.7175.60000110.1K44 K48 M49 T50K44-S46 PolarHBondContact O-N 3.21Å; S46-K48 VanDerWaalsContact C-N 3.33Å; S46-K48 PolarHBondContact O-N 2.92Å; S46-M49 WeakPolarHBondContact O-CB 3.49Å; S46-M49 PolarHBondContact O-N 3.08Å; S46-M49 VanDerWaalsContact O-N 3.11Å; S46-M49 WeakPolarHBondContact OG-CB 3.33Å; S46-T50 PolarHBondContact O-N 3.43Å; S46-T50 PolarHBondContact O-OG1 3.49Å
47G83.9Confident84.2Confident7 Ų772.4 Ų72.47%0.07236%0.359CS..Hα-helixtrans-55.2-44.1-178.400000113.4I45 M49 T50 T51I45-G47 PolarHBondContact O-N 2.93Å; G47-M49 VanDerWaalsContact C-N 3.34Å; G47-M49 PolarHBondContact O-N 2.78Å; G47-T50 PolarHBondContact O-N 3.49Å; G47-T51 WeakPolarHBondContact O-CB 3.48Å; G47-T51 PolarHBondContact O-N 2.85Å; G47-T51 PolarHBondContact O-OG1 3.38Å
48K88.1Confident84.7Confident187 Ų18772.3 Ų72.381%0.81336%0.358SS*.Hα-helixtrans-61.6-41.7178-65.9-178.8-177.6177.10112.1S46 A52S46-K48 VanDerWaalsContact C-N 3.33Å; S46-K48 PolarHBondContact O-N 2.92Å; K48-A52 VanDerWaalsContact O-CB 3.31Å; K48-A52 WeakPolarHBondContact O-CB 3.48Å; K48-A52 PolarHBondContact O-N 2.91Å
49M87.8Confident85.3Confident131 Ų13172.4 Ų72.465%0.64537%0.365SS*.Hα-helixtrans-66.9-48.9178.8-174.6-169.8-164.800110.9S46 G47 T51 A52 L53S46-M49 WeakPolarHBondContact O-CB 3.49Å; S46-M49 PolarHBondContact O-N 3.08Å; S46-M49 VanDerWaalsContact O-N 3.11Å; S46-M49 WeakPolarHBondContact OG-CB 3.33Å; G47-M49 VanDerWaalsContact C-N 3.34Å; G47-M49 PolarHBondContact O-N 2.78Å; M49-T51 VanDerWaalsContact C-N 3.34Å; M49-T51 PolarHBondContact O-N 3.39Å; M49-A52 PolarHBondContact O-N 3.42Å; M49-L53 WeakPolarHBondContact O-CB 3.33Å; M49-L53 PolarHBondContact O-N 3.49Å
50T87Confident85.7Confident8 Ų867.6 Ų67.65%0.04934%0.344CS..Hα-helixtrans-61.3-43.2179.8-550000111.2S46 G47 L53 M54 Q85 Q88 L89S46-T50 PolarHBondContact O-N 3.43Å; S46-T50 PolarHBondContact O-OG1 3.49Å; G47-T50 PolarHBondContact O-N 3.49Å; T50-L53 PolarHBondContact O-N 3.46Å; T50-M54 WeakPolarHBondContact O-CB 3.42Å; T50-M54 PolarHBondContact O-N 3.32Å; T50-Q85 HydrophobicContact CG2-CB 4.13Å; T50-Q85 VanDerWaalsContact CG2-O 3.23Å; T50-Q85 WeakPolarHBondContact CG2-O 3.28Å; T50-Q88 HydrophobicContact CG2-CB 4.04Å; T50-L89 HydrophobicContact CG2-CB 3.92Å; T50-L89 HydrophobicContact CG2-CD1 4.46Å
51T88.3Confident86Confident46 Ų4664.9 Ų64.928%0.28233%0.329SS..Hα-helixtrans-64-44.3175.7-58.70000111.9G47 M49 L53 M54 F55 L89G47-T51 WeakPolarHBondContact O-CB 3.48Å; G47-T51 PolarHBondContact O-N 2.85Å; G47-T51 PolarHBondContact O-OG1 3.38Å; M49-T51 VanDerWaalsContact C-N 3.34Å; M49-T51 PolarHBondContact O-N 3.39Å; T51-L53 VanDerWaalsContact C-N 3.33Å; T51-L53 PolarHBondContact O-N 3.48Å; T51-M54 PolarHBondContact O-N 3.41Å; T51-F55 HydrophobicContact CG2-CD2 3.87Å; T51-F55 HydrophobicContact CG2-CE2 3.53Å; T51-F55 WeakPolarHBondContact O-CD2 3.41Å; T51-F55 PolarHBondContact O-N 2.77Å; T51-F55 VanDerWaalsContact O-N 3.13Å; T51-L89 WeakPolarHBondContact OG1-CD1 3.47Å
52A91.5Very high86.5Confident60 Ų6072.1 Ų72.150%0.49635%0.354SS..Hα-helixtrans-61.6-42.2176.800000112K48 M49 M54 F55 Y56K48-A52 VanDerWaalsContact O-CB 3.31Å; K48-A52 WeakPolarHBondContact O-CB 3.48Å; K48-A52 PolarHBondContact O-N 2.91Å; M49-A52 PolarHBondContact O-N 3.42Å; A52-M54 VanDerWaalsContact C-N 3.33Å; A52-M54 PolarHBondContact O-N 2.95Å; A52-F55 PolarHBondContact O-N 3.39Å; A52-Y56 WeakPolarHBondContact O-CB 3.49Å; A52-Y56 PolarHBondContact O-N 3.45Å
53L88.1Confident86.8Confident72 Ų7277.5 Ų77.538%0.37738%0.377SS..Hα-helixtrans-69.5-31.9179.9-164.164.2000112.1M49 T50 T51 Y56 S57 Q85M49-L53 WeakPolarHBondContact O-CB 3.33Å; M49-L53 PolarHBondContact O-N 3.49Å; T50-L53 PolarHBondContact O-N 3.46Å; T51-L53 VanDerWaalsContact C-N 3.33Å; T51-L53 PolarHBondContact O-N 3.48Å; L53-Y56 HydrophobicContact CD1-CD1 4.15Å; L53-Y56 WeakPolarHBondContact O-CB 3.42Å; L53-Y56 PolarHBondContact O-N 3.05Å; L53-S57 WeakPolarHBondContact O-CB 3.36Å; L53-S57 PolarHBondContact O-N 2.87Å; L53-S57 PolarHBondContact O-OG 2.94Å; L53-Q85 HydrophobicContact CD2-CG 4.03Å; L53-Q85 VanDerWaalsContact CD2-NE2 3.29Å; L53-Q85 HydrophobicContact CG-CG 4.46Å; L53-Q85 VanDerWaalsContact CG-NE2 3.32Å; L53-Q85 PolarHBondContact O-OE1 2.96Å; L53-Q85 VanDerWaalsContact O-OE1 3.08Å
54M89Confident86.9Confident32 Ų3274.4 Ų74.416%0.15836%0.364CS..Hα-helixtrans-64.9-49.8174.3-177.8-172.172.600110.1T50 T51 A52 Y56 S57 L58 E82 L89T50-M54 WeakPolarHBondContact O-CB 3.42Å; T50-M54 PolarHBondContact O-N 3.32Å; T51-M54 PolarHBondContact O-N 3.41Å; A52-M54 VanDerWaalsContact C-N 3.33Å; A52-M54 PolarHBondContact O-N 2.95Å; M54-Y56 VanDerWaalsContact C-N 3.32Å; M54-Y56 PolarHBondContact O-N 3.23Å; M54-S57 PolarHBondContact O-N 3.11Å; M54-L58 HydrophobicContact CG-CD1 4.37Å; M54-L58 WeakPolarHBondContact O-CG 3.35Å; M54-L58 PolarHBondContact O-N 3.34Å; M54-E82 HydrophobicContact CG-CG 4.49Å; M54-L89 HydrophobicContact CE-CD2 4.33Å; M54-L89 HydrophobicContact SD-CD2 4Å
55F90.8Very high86.9Confident130 Ų13073 Ų7357%0.5736%0.355SS*.Hα-helixtrans-61.9-40.1175.4-75.9-63.7000112.7T51 A52 L58 A59T51-F55 HydrophobicContact CG2-CD2 3.87Å; T51-F55 HydrophobicContact CG2-CE2 3.53Å; T51-F55 WeakPolarHBondContact O-CD2 3.41Å; T51-F55 PolarHBondContact O-N 2.77Å; T51-F55 VanDerWaalsContact O-N 3.13Å; A52-F55 PolarHBondContact O-N 3.39Å; F55-L58 PolarHBondContact O-N 2.91Å; F55-A59 WeakPolarHBondContact O-CB 3.43Å; F55-A59 PolarHBondContact O-N 3.18Å
56Y89.4Confident87.1Confident115 Ų11577 Ų7745%0.45138%0.376SS..Hα-helixtrans-57.1-52.5172.5175.4-91.6000110.6A52 L53 M54 L58 A59 F60A52-Y56 WeakPolarHBondContact O-CB 3.49Å; A52-Y56 PolarHBondContact O-N 3.45Å; L53-Y56 HydrophobicContact CD1-CD1 4.15Å; L53-Y56 WeakPolarHBondContact O-CB 3.42Å; L53-Y56 PolarHBondContact O-N 3.05Å; M54-Y56 VanDerWaalsContact C-N 3.32Å; M54-Y56 PolarHBondContact O-N 3.23Å; Y56-L58 VanDerWaalsContact C-N 3.33Å; Y56-L58 PolarHBondContact O-N 3.26Å; Y56-A59 PolarHBondContact O-N 3.44Å; Y56-F60 HydrophobicContact CD1-CD2 4.12Å; Y56-F60 HydrophobicContact CD1-CE2 4.43Å; Y56-F60 AromaticContact CD2-CD2 3.9Å; Y56-F60 HydrophobicContact CD2-CD2 3.9Å; Y56-F60 AromaticContact CD2-CE2 3.55Å; Y56-F60 HydrophobicContact CD2-CE2 3.55Å; Y56-F60 AromaticContact CE1-CD2 3.88Å; Y56-F60 HydrophobicContact CE1-CD2 3.88Å; Y56-F60 AromaticContact CE1-CE2 3.99Å; Y56-F60 HydrophobicContact CE1-CE2 3.99Å; Y56-F60 HydrophobicContact CE1-CG 4.37Å; Y56-F60 AromaticContact CE2-CD2 3.68Å; Y56-F60 HydrophobicContact CE2-CD2 3.68Å; Y56-F60 AromaticContact CE2-CE2 3.02Å; Y56-F60 HydrophobicContact CE2-CE2 3.02Å; Y56-F60 AromaticContact CE2-CZ 3.62Å; Y56-F60 HydrophobicContact CE2-CZ 3.62Å; Y56-F60 HydrophobicContact CG-CD2 4.12Å; Y56-F60 HydrophobicContact CG-CE2 4.23Å; Y56-F60 AromaticContact CZ-CD2 3.63Å; Y56-F60 AromaticContact CZ-CE2 3.25Å; Y56-F60 AromaticContact CZ-CZ 3.59Å; Y56-F60 VanDerWaalsContact O-CD2 3.27Å; Y56-F60 WeakPolarHBondContact O-CD2 3.2Å; Y56-F60 PolarHBondContact O-N 3.25Å; Y56-F60 VanDerWaalsContact OH-CZ 3.32Å; Y56-F60 WeakPolarHBondContact OH-CZ 3.38Å
57S88.4Confident86.9Confident2 Ų278.2 Ų78.21%0.01438%0.38CS..Hα-helixtrans-61.3-41.6-178.2-56.20000111.8L53 M54 F60 M61 Q85L53-S57 WeakPolarHBondContact O-CB 3.36Å; L53-S57 PolarHBondContact O-N 2.87Å; L53-S57 PolarHBondContact O-OG 2.94Å; M54-S57 PolarHBondContact O-N 3.11Å; S57-F60 PolarHBondContact O-N 3.47Å; S57-M61 VanDerWaalsContact O-CG 3.26Å; S57-M61 WeakPolarHBondContact O-CG 3.38Å; S57-M61 PolarHBondContact O-N 3.39Å; S57-Q85 PolarHBondContact OG-NE2 3.41Å
58L90.5Very high86.7Confident75 Ų7586.3 Ų86.339%0.39342%0.416SS..Hα-helixtrans-62.5-42.8175.6-71.4172.7000112.8M54 F55 Y56 M61 R62 E82M54-L58 HydrophobicContact CG-CD1 4.37Å; M54-L58 WeakPolarHBondContact O-CG 3.35Å; M54-L58 PolarHBondContact O-N 3.34Å; F55-L58 PolarHBondContact O-N 2.91Å; Y56-L58 VanDerWaalsContact C-N 3.33Å; Y56-L58 PolarHBondContact O-N 3.26Å; L58-M61 HydrophobicContact CD2-SD 4.36Å; L58-M61 PolarHBondContact O-N 2.91Å; L58-R62 PolarHBondContact O-N 3Å; L58-R62 VanDerWaalsContact O-N 3.16Å; L58-E82 HydrophobicContact CD2-CG 3.94Å; L58-E82 HydrophobicContact CG-CG 4.17Å
59A90.1Very high86.3Confident42 Ų4283.2 Ų83.235%0.34742%0.415SS..Hα-helixtrans-60.8-47.9175.800000110.5F55 Y56 M61 R62 F63F55-A59 WeakPolarHBondContact O-CB 3.43Å; F55-A59 PolarHBondContact O-N 3.18Å; Y56-A59 PolarHBondContact O-N 3.44Å; A59-M61 PolarHBondContact O-N 3.08Å; A59-R62 WeakPolarHBondContact O-CB 3.26Å; A59-R62 PolarHBondContact O-N 2.94Å; A59-F63 HydrophobicContact CB-CE2 4.38Å; A59-F63 WeakPolarHBondContact O-CD2 3.46Å; A59-F63 PolarHBondContact O-N 3.19Å
60F86.1Confident85.9Confident73 Ų7384.4 Ų84.432%0.3241%0.413SS..Hα-helixtrans-66.2-33.5179.2-85-99.4000113.3Y56 S57 R62 F63 A64 H78Y56-F60 HydrophobicContact CD1-CD2 4.12Å; Y56-F60 HydrophobicContact CD1-CE2 4.43Å; Y56-F60 AromaticContact CD2-CD2 3.9Å; Y56-F60 HydrophobicContact CD2-CD2 3.9Å; Y56-F60 AromaticContact CD2-CE2 3.55Å; Y56-F60 HydrophobicContact CD2-CE2 3.55Å; Y56-F60 AromaticContact CE1-CD2 3.88Å; Y56-F60 HydrophobicContact CE1-CD2 3.88Å; Y56-F60 AromaticContact CE1-CE2 3.99Å; Y56-F60 HydrophobicContact CE1-CE2 3.99Å; Y56-F60 HydrophobicContact CE1-CG 4.37Å; Y56-F60 AromaticContact CE2-CD2 3.68Å; Y56-F60 HydrophobicContact CE2-CD2 3.68Å; Y56-F60 AromaticContact CE2-CE2 3.02Å; Y56-F60 HydrophobicContact CE2-CE2 3.02Å; Y56-F60 AromaticContact CE2-CZ 3.62Å; Y56-F60 HydrophobicContact CE2-CZ 3.62Å; Y56-F60 HydrophobicContact CG-CD2 4.12Å; Y56-F60 HydrophobicContact CG-CE2 4.23Å; Y56-F60 AromaticContact CZ-CD2 3.63Å; Y56-F60 AromaticContact CZ-CE2 3.25Å; Y56-F60 AromaticContact CZ-CZ 3.59Å; Y56-F60 VanDerWaalsContact O-CD2 3.27Å; Y56-F60 WeakPolarHBondContact O-CD2 3.2Å; Y56-F60 PolarHBondContact O-N 3.25Å; Y56-F60 VanDerWaalsContact OH-CZ 3.32Å; Y56-F60 WeakPolarHBondContact OH-CZ 3.38Å; S57-F60 PolarHBondContact O-N 3.47Å; F60-R62 VanDerWaalsContact C-N 3.34Å; F60-R62 PolarHBondContact O-N 3.4Å; F60-F63 PolarHBondContact O-N 3.37Å; F60-A64 VanDerWaalsContact O-CB 3.29Å; F60-A64 WeakPolarHBondContact O-CB 3.42Å; F60-A64 PolarHBondContact O-N 2.88Å; F60-H78 AromaticContact CD1-NE2 3.81Å; F60-H78 AromaticContact CG-CE1 3.96Å; F60-H78 AromaticContact CG-NE2 3.9Å
61M85.2Confident85.6Confident24 Ų2487.7 Ų87.712%0.11843%0.43CS..Hα-helixtrans-60.8-43.6171.8-75.1170.263.100111.7S57 L58 A59 A64 Y65 F75 H78 F79 E82S57-M61 VanDerWaalsContact O-CG 3.26Å; S57-M61 WeakPolarHBondContact O-CG 3.38Å; S57-M61 PolarHBondContact O-N 3.39Å; L58-M61 HydrophobicContact CD2-SD 4.36Å; L58-M61 PolarHBondContact O-N 2.91Å; A59-M61 PolarHBondContact O-N 3.08Å; M61-A64 PolarHBondContact O-N 3.38Å; M61-Y65 PolarHBondContact O-N 2.99Å; M61-Y65 VanDerWaalsContact O-N 3.1Å; M61-F75 HydrophobicContact CB-CD2 4.11Å; M61-F75 HydrophobicContact CB-CE2 3.99Å; M61-F75 HydrophobicContact CE-CE2 3.86Å; M61-F75 HydrophobicContact CE-CZ 3.9Å; M61-F75 HydrophobicContact CG-CD2 4.33Å; M61-F75 HydrophobicContact CG-CE2 4.32Å; M61-H78 HydrophobicContact CG-CB 3.59Å; M61-H78 HydrophobicContact SD-CB 4.49Å; M61-F79 HydrophobicContact CE-CB 4.09Å; M61-F79 HydrophobicContact CE-CD2 3.59Å; M61-F79 HydrophobicContact CE-CG 4.32Å; M61-F79 HydrophobicContact SD-CB 4.33Å; M61-F79 HydrophobicContact SD-CD2 4.44Å; M61-E82 HydrophobicContact SD-CB 4.21Å; M61-E82 HydrophobicContact SD-CG 4.46Å
62R87.9Confident85.2Confident181 Ų18190.1 Ų90.168%0.68344%0.439SS*.Hα-helixtrans-62.8-44.2175.4-175.8-179.2177.5-144.3-0.1111.2L58 A59 F60 Y65 L66L58-R62 PolarHBondContact O-N 3Å; L58-R62 VanDerWaalsContact O-N 3.16Å; A59-R62 WeakPolarHBondContact O-CB 3.26Å; A59-R62 PolarHBondContact O-N 2.94Å; F60-R62 VanDerWaalsContact C-N 3.34Å; F60-R62 PolarHBondContact O-N 3.4Å; R62-Y65 PolarHBondContact O-N 3.48Å; R62-L66 HydrophobicContact CG-CD1 3.84Å; R62-L66 HydrophobicContact CG-CG 4.45Å; R62-L66 WeakPolarHBondContact O-CB 3.46Å; R62-L66 WeakPolarHBondContact O-CG 3.41Å; R62-L66 PolarHBondContact O-N 3.09Å
63F84.8Confident84.8Confident124 Ų12491.1 Ų91.154%0.54444%0.436SS..Hα-helixtrans-63.5-44.9176.2-72.4-67.3000112.3A59 F60 Y65 L66 V67A59-F63 HydrophobicContact CB-CE2 4.38Å; A59-F63 WeakPolarHBondContact O-CD2 3.46Å; A59-F63 PolarHBondContact O-N 3.19Å; F60-F63 PolarHBondContact O-N 3.37Å; F63-Y65 PolarHBondContact O-N 2.76Å; F63-L66 PolarHBondContact O-N 2.89Å; F63-V67 WeakPolarHBondContact O-CB 3.24Å; F63-V67 VanDerWaalsContact O-CG2 3.24Å; F63-V67 WeakPolarHBondContact O-CG2 3.32Å; F63-V67 PolarHBondContact O-N 3.32Å
64A82.8Confident84.4Confident7 Ų790.4 Ų90.46%0.05843%0.432CS..Hα-helixtrans-62.2-30.1179.300000113.1F60 M61 N71 L74 F75F60-A64 VanDerWaalsContact O-CB 3.29Å; F60-A64 WeakPolarHBondContact O-CB 3.42Å; F60-A64 PolarHBondContact O-N 2.88Å; M61-A64 PolarHBondContact O-N 3.38Å; A64-N71 PolarHBondContact O-N 2.94Å; A64-L74 HydrophobicContact CB-CB 4.48Å; A64-L74 HydrophobicContact CB-CD2 4.31Å; A64-L74 HydrophobicContact CB-CG 4.45Å; A64-F75 HydrophobicContact CB-CB 4.14Å
65Y79.5Confident84.2Confident138 Ų13892 Ų9254%0.54144%0.439SS..Hα-helixtrans-78.5-40.9174.9-175.8-94.6000113.1M61 R62 F63M61-Y65 PolarHBondContact O-N 2.99Å; M61-Y65 VanDerWaalsContact O-N 3.1Å; R62-Y65 PolarHBondContact O-N 3.48Å; F63-Y65 PolarHBondContact O-N 2.76Å
66L85.4Confident84Confident103 Ų10387.4 Ų87.454%0.53942%0.424SS..Hα-helixtrans-78.1-30.8-176.6-71.2175.4000113.7R62 F63 Q68R62-L66 HydrophobicContact CG-CD1 3.84Å; R62-L66 HydrophobicContact CG-CG 4.45Å; R62-L66 WeakPolarHBondContact O-CB 3.46Å; R62-L66 WeakPolarHBondContact O-CG 3.41Å; R62-L66 PolarHBondContact O-N 3.09Å; F63-L66 PolarHBondContact O-N 2.89Å; L66-Q68 PolarHBondContact O-N 2.95Å
67V79.5Confident83.8Confident85 Ų8582.2 Ų82.252%0.51540%0.404SS..SBendtrans-68.3130.1178.6171.60000110F63 P69 R70F63-V67 WeakPolarHBondContact O-CB 3.24Å; F63-V67 VanDerWaalsContact O-CG2 3.24Å; F63-V67 WeakPolarHBondContact O-CG2 3.32Å; F63-V67 PolarHBondContact O-N 3.32Å; V67-P69 CarbonylContact O-C 3.33Å; V67-R70 WeakPolarHBondContact O-CA 3.43Å; V67-R70 PolarHBondContact O-N 2.92Å
68Q80Confident83.7Confident178 Ų17882.9 Ų82.983%0.83241%0.408SS*.SBendtrans-104.3130.7172.9-68.7-176.4-9.500109.9L66L66-Q68 PolarHBondContact O-N 2.95Å
69P80.6Confident83.6Confident122 Ų12284.3 Ų84.379%0.79241%0.411SS*.SBendcis-71.7143.6-1.630.4-34.9000112.8V67 N71V67-P69 CarbonylContact O-C 3.33Å; P69-N71 PolarHBondContact O-N 3.05Å
70R78.2Confident83.5Confident155 Ų15583.5 Ų83.559%0.58540%0.404SS*.  trans-61122.4-175.3-65179.2-65.7-164.7-1.5111.6V67 M72V67-R70 WeakPolarHBondContact O-CA 3.43Å; V67-R70 PolarHBondContact O-N 2.92Å; R70-M72 HydrophobicContact CB-CE 3.89Å; R70-M72 HydrophobicContact CG-CE 4.42Å; R70-M72 PolarHBondContact O-N 3.4Å
71N80.9Confident83.6Confident77 Ų7780.9 Ų80.941%0.41239%0.393SS..  trans-92.583.8177.4-168.6-20000111.1A64 P69 L73 L74 F75A64-N71 PolarHBondContact O-N 2.94Å; P69-N71 PolarHBondContact O-N 3.05Å; N71-L73 VanDerWaalsContact C-N 3.26Å; N71-L73 PolarHBondContact O-N 3.21Å; N71-L73 PolarHBondContact OD1-N 2.9Å; N71-L74 HydrophobicContact CB-CB 4.15Å; N71-L74 PolarHBondContact O-N 3.43Å; N71-L74 PolarHBondContact OD1-N 3.22Å; N71-F75 PolarHBondContact O-N 3Å; N71-F75 VanDerWaalsContact O-N 3.07Å
72M81.6Confident83.8Confident98 Ų9881.3 Ų81.348%0.48340%0.395SS..Hα-helixtrans-66.2-26-178.4-63-58.8-177.100113.5R70 A76R70-M72 HydrophobicContact CB-CE 3.89Å; R70-M72 HydrophobicContact CG-CE 4.42Å; R70-M72 PolarHBondContact O-N 3.4Å; M72-A76 VanDerWaalsContact O-CB 3.31Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3.5Å
73L81.2Confident83.9Confident80 Ų8076.1 Ų76.142%0.41938%0.383SS..Hα-helixtrans-69.2-46176.8-70.4171.8000111.2P24 N71 F75 A76 C77P24-L73 HydrophobicContact CB-CD1 4.25Å; P24-L73 HydrophobicContact CB-CD2 3.95Å; P24-L73 HydrophobicContact CG-CD1 3.79Å; P24-L73 HydrophobicContact CG-CD2 4.27Å; N71-L73 VanDerWaalsContact C-N 3.26Å; N71-L73 PolarHBondContact O-N 3.21Å; N71-L73 PolarHBondContact OD1-N 2.9Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-A76 PolarHBondContact O-N 3.34Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.15Å
74L79.8Confident84.1Confident58 Ų5870.3 Ų70.330%0.30436%0.358SS..Hα-helixtrans-64.2-41.5176.1-171.665.8000110.7A64 N71 C77 H78A64-L74 HydrophobicContact CB-CB 4.48Å; A64-L74 HydrophobicContact CB-CD2 4.31Å; A64-L74 HydrophobicContact CB-CG 4.45Å; N71-L74 HydrophobicContact CB-CB 4.15Å; N71-L74 PolarHBondContact O-N 3.43Å; N71-L74 PolarHBondContact OD1-N 3.22Å; L74-C77 PolarHBondContact O-N 3.45Å; L74-H78 PolarHBondContact O-CD2 3.29Å; L74-H78 PolarHBondContact O-N 3.46Å
75F85.7Confident84.3Confident66 Ų6670.2 Ų70.229%0.28936%0.357SS..Hα-helixtrans-58.3-48.6173.2-178.2-92.9000111.9M61 A64 N71 L73 C77 H78 F79M61-F75 HydrophobicContact CB-CD2 4.11Å; M61-F75 HydrophobicContact CB-CE2 3.99Å; M61-F75 HydrophobicContact CE-CE2 3.86Å; M61-F75 HydrophobicContact CE-CZ 3.9Å; M61-F75 HydrophobicContact CG-CD2 4.33Å; M61-F75 HydrophobicContact CG-CE2 4.32Å; A64-F75 HydrophobicContact CB-CB 4.14Å; N71-F75 PolarHBondContact O-N 3Å; N71-F75 VanDerWaalsContact O-N 3.07Å; L73-F75 VanDerWaalsContact C-N 3.33Å; F75-C77 PolarHBondContact O-N 3.39Å; F75-H78 PolarHBondContact O-N 2.87Å; F75-F79 VanDerWaalsContact O-CB 3.26Å; F75-F79 WeakPolarHBondContact O-CB 3.41Å; F75-F79 PolarHBondContact O-N 2.78Å
76A86.4Confident84.8Confident32 Ų3265.2 Ų65.226%0.26434%0.341SS..Hα-helixtrans-62.8-40.6178.800000112.5M72 L73 F79 A80M72-A76 VanDerWaalsContact O-CB 3.31Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3.5Å; L73-A76 PolarHBondContact O-N 3.34Å; A76-F79 PolarHBondContact O-N 3.43Å; A76-A80 WeakPolarHBondContact O-CB 3.42Å; A76-A80 PolarHBondContact O-N 3.4Å
77C84.8Confident85Confident6 Ų662.9 Ų62.94%0.04133%0.333CS..Hα-helixtrans-61.8-49.9175.6-177.70000111.5N27 L73 L74 F75 F79 A80 N81N27-C77 PolarHBondContact O-SG 3.26Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.15Å; L74-C77 PolarHBondContact O-N 3.45Å; F75-C77 PolarHBondContact O-N 3.39Å; C77-F79 PolarHBondContact O-N 3.33Å; C77-A80 PolarHBondContact O-N 2.93Å; C77-N81 WeakPolarHBondContact O-CB 3.23Å; C77-N81 PolarHBondContact O-N 3.3Å; C77-N81 PolarHBondContact O-ND2 3.24Å
78H87.3Confident85.4Confident17 Ų1759.9 Ų59.98%0.07931%0.314CS..Hα-helixtrans-66.7-36.1178-75.8-66.9000113F60 M61 L74 F75 N81 E82F60-H78 AromaticContact CD1-NE2 3.81Å; F60-H78 AromaticContact CG-CE1 3.96Å; F60-H78 AromaticContact CG-NE2 3.9Å; M61-H78 HydrophobicContact CG-CB 3.59Å; M61-H78 HydrophobicContact SD-CB 4.49Å; L74-H78 PolarHBondContact O-CD2 3.29Å; L74-H78 PolarHBondContact O-N 3.46Å; F75-H78 PolarHBondContact O-N 2.87Å; H78-N81 PolarHBondContact O-N 3.07Å; H78-E82 WeakPolarHBondContact O-CB 3.4Å; H78-E82 PolarHBondContact O-N 3.04Å
79F88.8Confident85.8Confident105 Ų10553 Ų5346%0.46128%0.282SS..Hα-helixtrans-63.4-45.4175.3-179.7-108.6000111.7M61 F75 A76 C77 E82 T83M61-F79 HydrophobicContact CE-CB 4.09Å; M61-F79 HydrophobicContact CE-CD2 3.59Å; M61-F79 HydrophobicContact CE-CG 4.32Å; M61-F79 HydrophobicContact SD-CB 4.33Å; M61-F79 HydrophobicContact SD-CD2 4.44Å; F75-F79 VanDerWaalsContact O-CB 3.26Å; F75-F79 WeakPolarHBondContact O-CB 3.41Å; F75-F79 PolarHBondContact O-N 2.78Å; A76-F79 PolarHBondContact O-N 3.43Å; C77-F79 PolarHBondContact O-N 3.33Å; F79-E82 PolarHBondContact O-N 3.38Å; F79-T83 WeakPolarHBondContact O-CB 3.4Å; F79-T83 PolarHBondContact O-N 3.33Å; F79-T83 PolarHBondContact O-OG1 2.98Å
80A88.2Confident86.2Confident24 Ų2452 Ų5220%0.19827%0.274CS..Hα-helixtrans-66.4-39.5176.800000111.9P31 A76 C77 T83 A84P31-A80 HydrophobicContact CB-CB 3.67Å; P31-A80 HydrophobicContact CG-CB 3.81Å; A76-A80 WeakPolarHBondContact O-CB 3.42Å; A76-A80 PolarHBondContact O-N 3.4Å; C77-A80 PolarHBondContact O-N 2.93Å; A80-T83 PolarHBondContact O-N 3.15Å; A80-A84 WeakPolarHBondContact O-CB 3.35Å; A80-A84 PolarHBondContact O-N 2.91Å
81N86.4Confident86.7Confident18 Ų1847.3 Ų47.310%0.09626%0.256CS..Hα-helixtrans-63.1-43.6173.1-79.2-25.4000112.2L30 P31 C77 H78 A84 Q85L30-N81 PolarHBondContact O-OD1 3.27Å; P31-N81 WeakPolarHBondContact CA-OD1 3.42Å; C77-N81 WeakPolarHBondContact O-CB 3.23Å; C77-N81 PolarHBondContact O-N 3.3Å; C77-N81 PolarHBondContact O-ND2 3.24Å; H78-N81 PolarHBondContact O-N 3.07Å; N81-A84 PolarHBondContact O-N 2.77Å; N81-Q85 WeakPolarHBondContact O-CB 3.43Å; N81-Q85 WeakPolarHBondContact O-CG 3.46Å; N81-Q85 PolarHBondContact O-N 3.44Å; N81-Q85 PolarHBondContact O-NE2 3.48Å
82E89.7Confident87Confident34 Ų3446.2 Ų46.216%0.15925%0.247CC..Hα-helixtrans-63-45.9176.7-177.3-81.4140.700110.4M54 L58 M61 H78 F79 A84 Q85 S86M54-E82 HydrophobicContact CG-CG 4.49Å; L58-E82 HydrophobicContact CD2-CG 3.94Å; L58-E82 HydrophobicContact CG-CG 4.17Å; M61-E82 HydrophobicContact SD-CB 4.21Å; M61-E82 HydrophobicContact SD-CG 4.46Å; H78-E82 WeakPolarHBondContact O-CB 3.4Å; H78-E82 PolarHBondContact O-N 3.04Å; F79-E82 PolarHBondContact O-N 3.38Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.04Å; E82-Q85 PolarHBondContact O-N 3.11Å; E82-S86 VanDerWaalsContact O-CB 3.26Å; E82-S86 WeakPolarHBondContact O-CB 3.48Å; E82-S86 PolarHBondContact O-N 3.01Å; E82-S86 PolarHBondContact O-OG 3.34Å; E82-S86 VanDerWaalsContact O-OG 3.09Å; E82-S86 PolarHBondContact OE1-OG 3.38Å
83T90.1Very high87.4Confident72 Ų7244 Ų4444%0.44224%0.24SC..Hα-helixtrans-58.7-45.2175.7-60.10000111.6F79 A80 C87F79-T83 WeakPolarHBondContact O-CB 3.4Å; F79-T83 PolarHBondContact O-N 3.33Å; F79-T83 PolarHBondContact O-OG1 2.98Å; A80-T83 PolarHBondContact O-N 3.15Å; T83-C87 PolarHBondContact O-N 3.17Å
84A88.9Confident87.8Confident1 Ų143.4 Ų43.41%0.00824%0.237CC..Hα-helixtrans-64.4-44.4177.600000111.8A34 L35 A80 N81 E82 C87 Q88A34-A84 HydrophobicContact CB-CB 3.62Å; L35-A84 HydrophobicContact CD2-CB 4.39Å; A80-A84 WeakPolarHBondContact O-CB 3.35Å; A80-A84 PolarHBondContact O-N 2.91Å; N81-A84 PolarHBondContact O-N 2.77Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.04Å; A84-C87 WeakPolarHBondContact O-CB 3.44Å; A84-C87 PolarHBondContact O-N 3.07Å; A84-Q88 WeakPolarHBondContact O-CG 3.47Å; A84-Q88 PolarHBondContact O-N 2.84Å
85Q87.6Confident88.2Confident6 Ų640.8 Ų40.83%0.02822%0.223CC..Hα-helixtrans-68.3-38.3178.4-72.1163.944.900112.7T50 L53 S57 N81 E82 C87 Q88 L89T50-Q85 HydrophobicContact CG2-CB 4.13Å; T50-Q85 VanDerWaalsContact CG2-O 3.23Å; T50-Q85 WeakPolarHBondContact CG2-O 3.28Å; L53-Q85 HydrophobicContact CD2-CG 4.03Å; L53-Q85 VanDerWaalsContact CD2-NE2 3.29Å; L53-Q85 HydrophobicContact CG-CG 4.46Å; L53-Q85 VanDerWaalsContact CG-NE2 3.32Å; L53-Q85 PolarHBondContact O-OE1 2.96Å; L53-Q85 VanDerWaalsContact O-OE1 3.08Å; S57-Q85 PolarHBondContact OG-NE2 3.41Å; N81-Q85 WeakPolarHBondContact O-CB 3.43Å; N81-Q85 WeakPolarHBondContact O-CG 3.46Å; N81-Q85 PolarHBondContact O-N 3.44Å; N81-Q85 PolarHBondContact O-NE2 3.48Å; E82-Q85 PolarHBondContact O-N 3.11Å; Q85-C87 VanDerWaalsContact C-N 3.29Å; Q85-C87 PolarHBondContact O-N 3.41Å; Q85-Q88 CarbonylContact O-C 3.57Å; Q85-Q88 WeakPolarHBondContact O-CB 3.4Å; Q85-Q88 PolarHBondContact O-N 3.24Å; Q85-Q88 VanDerWaalsContact O-N 3.15Å; Q85-L89 WeakPolarHBondContact O-CB 3.43Å; Q85-L89 PolarHBondContact O-N 3.24Å
86S89.4Confident88.3Confident32 Ų3242.2 Ų42.222%0.22423%0.227CC..Hα-helixtrans-60.1-41.6172.6-72.20000110.3E82 L89 V90E82-S86 VanDerWaalsContact O-CB 3.26Å; E82-S86 WeakPolarHBondContact O-CB 3.48Å; E82-S86 PolarHBondContact O-N 3.01Å; E82-S86 PolarHBondContact O-OG 3.34Å; E82-S86 VanDerWaalsContact O-OG 3.09Å; E82-S86 PolarHBondContact OE1-OG 3.38Å; S86-L89 PolarHBondContact O-N 3.19Å; S86-V90 WeakPolarHBondContact O-CG2 3.32Å; S86-V90 PolarHBondContact O-N 3.17Å
87C89.6Confident88.4Confident55 Ų5549.5 Ų49.537%0.37225%0.249SC..Hα-helixtrans-63.5-43.6171.5-170.90000112.6L38 T83 A84 Q85 L89 V90 R91L38-C87 HydrophobicContact CD1-CB 4.45Å; L38-C87 HydrophobicContact CD2-CB 3.84Å; T83-C87 PolarHBondContact O-N 3.17Å; A84-C87 WeakPolarHBondContact O-CB 3.44Å; A84-C87 PolarHBondContact O-N 3.07Å; Q85-C87 VanDerWaalsContact C-N 3.29Å; Q85-C87 PolarHBondContact O-N 3.41Å; C87-L89 VanDerWaalsContact C-N 3.31Å; C87-L89 PolarHBondContact O-N 3.21Å; C87-V90 PolarHBondContact O-N 3.34Å; C87-R91 WeakPolarHBondContact O-CG 3.09Å; C87-R91 PolarHBondContact O-N 3.45Å
88Q87.8Confident88.7Confident22 Ų2254.2 Ų54.210%0.10328%0.277CS..Hα-helixtrans-60.3-39.9174.3-71.1178.4-26.900112.2L38 I45 T50 A84 Q85 R91 Y92L38-Q88 HydrophobicContact CD2-CB 4.46Å; L38-Q88 HydrophobicContact CD2-CG 3.51Å; I45-Q88 HydrophobicContact CG2-CB 4.47Å; T50-Q88 HydrophobicContact CG2-CB 4.04Å; A84-Q88 WeakPolarHBondContact O-CG 3.47Å; A84-Q88 PolarHBondContact O-N 2.84Å; Q85-Q88 CarbonylContact O-C 3.57Å; Q85-Q88 WeakPolarHBondContact O-CB 3.4Å; Q85-Q88 PolarHBondContact O-N 3.24Å; Q85-Q88 VanDerWaalsContact O-N 3.15Å; Q88-R91 WeakPolarHBondContact O-CB 3.46Å; Q88-R91 PolarHBondContact O-N 2.92Å; Q88-Y92 WeakPolarHBondContact O-CB 2.88Å; Q88-Y92 PolarHBondContact O-N 3.45Å
89L88.4Confident88.8Confident33 Ų3356.8 Ų56.817%0.17329%0.288CS..Hα-helixtrans-66.1-42178.4-172.763.3000110.8T50 T51 M54 Q85 S86 C87 R91 Y92 C93T50-L89 HydrophobicContact CG2-CB 3.92Å; T50-L89 HydrophobicContact CG2-CD1 4.46Å; T51-L89 WeakPolarHBondContact OG1-CD1 3.47Å; M54-L89 HydrophobicContact CE-CD2 4.33Å; M54-L89 HydrophobicContact SD-CD2 4Å; Q85-L89 WeakPolarHBondContact O-CB 3.43Å; Q85-L89 PolarHBondContact O-N 3.24Å; S86-L89 PolarHBondContact O-N 3.19Å; C87-L89 VanDerWaalsContact C-N 3.31Å; C87-L89 PolarHBondContact O-N 3.21Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.24Å; L89-Y92 HydrophobicContact CD1-CD1 4.48Å; L89-Y92 WeakPolarHBondContact O-CB 2.96Å; L89-Y92 PolarHBondContact O-N 3.31Å; L89-C93 WeakPolarHBondContact O-CB 3.29Å; L89-C93 PolarHBondContact O-N 2.83Å; L89-C93 PolarHBondContact O-SG 2.73Å; L89-C93 VanDerWaalsContact O-SG 3.33Å
90V89Confident88.9Confident101 Ų10155 Ų5561%0.61229%0.289SS*.Hα-helixtrans-60-43.3172.6171.10000110.9S86 C87 C93 N94S86-V90 WeakPolarHBondContact O-CG2 3.32Å; S86-V90 PolarHBondContact O-N 3.17Å; C87-V90 PolarHBondContact O-N 3.34Å; V90-C93 PolarHBondContact O-N 3.07Å; V90-N94 VanDerWaalsContact O-CB 3.32Å; V90-N94 WeakPolarHBondContact O-CB 3.35Å; V90-N94 PolarHBondContact O-N 3.48Å
91R88.3Confident88.9Confident56 Ų5659.3 Ų59.321%0.21131%0.305CS..Hα-helixtrans-62.9-41.9175.5-69.8177.171.9-137.44.3112.1L38 N40 I45 C87 Q88 L89 N94 Y95L38-R91 PolarHBondContact O-NH1 3.47Å; L38-R91 PolarHBondContact O-NH2 3.37Å; N40-R91 PolarHBondContact O-NH1 3.25Å; N40-R91 PolarHBondContact O-NH2 2.98Å; I45-R91 HydrophobicContact CD1-CB 4.09Å; C87-R91 WeakPolarHBondContact O-CG 3.09Å; C87-R91 PolarHBondContact O-N 3.45Å; Q88-R91 WeakPolarHBondContact O-CB 3.46Å; Q88-R91 PolarHBondContact O-N 2.92Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.24Å; R91-N94 PolarHBondContact O-N 2.83Å; R91-Y95 VanDerWaalsContact O-CB 3.32Å; R91-Y95 WeakPolarHBondContact O-CB 3.32Å; R91-Y95 PolarHBondContact O-N 2.9Å
92Y88.9Confident89.1Confident55 Ų5564.2 Ų64.222%0.21633%0.331CS..Hα-helixtrans-60.3-49.5174.4174-90.5000110.9I45 Q88 L89 N94 Y95 W96I45-Y92 HydrophobicContact CB-CD2 4.27Å; I45-Y92 HydrophobicContact CG2-CD2 4.17Å; I45-Y92 HydrophobicContact CG2-CG 4.43Å; I45-Y92 VanDerWaalsContact O-CD2 3.24Å; I45-Y92 WeakPolarHBondContact O-CD2 3.37Å; I45-Y92 WeakPolarHBondContact O-CE2 3.34Å; Q88-Y92 WeakPolarHBondContact O-CB 2.88Å; Q88-Y92 PolarHBondContact O-N 3.45Å; L89-Y92 HydrophobicContact CD1-CD1 4.48Å; L89-Y92 WeakPolarHBondContact O-CB 2.96Å; L89-Y92 PolarHBondContact O-N 3.31Å; Y92-N94 PolarHBondContact O-N 2.85Å; Y92-Y95 PolarHBondContact O-N 2.89Å; Y92-W96 AromaticContact CD2-CD1 3.33Å; Y92-W96 AromaticContact CD2-NE1 3.51Å; Y92-W96 AromaticContact CE1-CD1 4Å; Y92-W96 AromaticContact CE2-CD1 3.15Å; Y92-W96 HydrophobicContact CE2-CG 4.18Å; Y92-W96 AromaticContact CE2-NE1 3.18Å; Y92-W96 AromaticContact CG-CD1 3.85Å; Y92-W96 AromaticContact CZ-CD1 3.49Å; Y92-W96 VanDerWaalsContact CZ-CD1 3.49Å; Y92-W96 AromaticContact CZ-NE1 3.88Å; Y92-W96 VanDerWaalsContact O-CD1 3.31Å; Y92-W96 PolarHBondContact O-N 3.35Å
93C88.9Confident89.1Confident50 Ų5065.9 Ų65.934%0.33834%0.341SS..Hα-helixtrans-63-42.4179.4-70.80000111.7L89 V90 Y95 Y97L89-C93 WeakPolarHBondContact O-CB 3.29Å; L89-C93 PolarHBondContact O-N 2.83Å; L89-C93 PolarHBondContact O-SG 2.73Å; L89-C93 VanDerWaalsContact O-SG 3.33Å; V90-C93 PolarHBondContact O-N 3.07Å; C93-Y95 PolarHBondContact O-N 2.83Å; C93-Y97 HydrophobicContact CB-CD2 4.37Å; C93-Y97 WeakPolarHBondContact O-CB 3.33Å; C93-Y97 PolarHBondContact O-N 2.91Å
94N89.2Confident89Confident69 Ų6964.7 Ų64.737%0.36933%0.329SS..Iπ-helixtrans-62.3-42.5175.1-170.6-86.7000111.6V90 R91 Y92 V98 K99V90-N94 VanDerWaalsContact O-CB 3.32Å; V90-N94 WeakPolarHBondContact O-CB 3.35Å; V90-N94 PolarHBondContact O-N 3.48Å; R91-N94 PolarHBondContact O-N 2.83Å; Y92-N94 PolarHBondContact O-N 2.85Å; N94-V98 WeakPolarHBondContact O-CB 3.27Å; N94-V98 PolarHBondContact O-N 3.49Å; N94-K99 PolarHBondContact O-N 2.99Å; N94-K99 WeakPolarHBondContact OD1-CE 3.32Å
95Y88.6Confident89Confident2 Ų267.2 Ų67.21%0.00834%0.342CS..Iπ-helixtrans-67.2-43179.6-175.6-95.2000113P42 E43 R91 Y92 C93 K99 R104 I107 R108P42-Y95 HydrophobicContact CB-CD2 4.03Å; P42-Y95 HydrophobicContact CB-CG 4.18Å; P42-Y95 HydrophobicContact CG-CD2 3.73Å; P42-Y95 HydrophobicContact CG-CE2 4.11Å; P42-Y95 HydrophobicContact CG-CG 4.38Å; E43-Y95 HydrophobicContact CB-CE1 4.04Å; E43-Y95 HydrophobicContact CG-CE1 4.31Å; R91-Y95 VanDerWaalsContact O-CB 3.32Å; R91-Y95 WeakPolarHBondContact O-CB 3.32Å; R91-Y95 PolarHBondContact O-N 2.9Å; Y92-Y95 PolarHBondContact O-N 2.89Å; C93-Y95 PolarHBondContact O-N 2.83Å; Y95-K99 HydrophobicContact CD2-CD 4.39Å; Y95-R104 HydrophobicContact CD2-CG 4.22Å; Y95-R104 HydrophobicContact CE1-CG 4.22Å; Y95-R104 HydrophobicContact CE2-CB 4.02Å; Y95-R104 HydrophobicContact CE2-CG 3.82Å; Y95-R104 VanDerWaalsContact O-CD 3.27Å; Y95-R104 WeakPolarHBondContact O-CD 3.47Å; Y95-I107 HydrophobicContact CD2-CD1 4.06Å; Y95-I107 HydrophobicContact CE2-CB 4.28Å; Y95-I107 HydrophobicContact CE2-CD1 4.09Å; Y95-I107 HydrophobicContact CE2-CG2 4Å; Y95-R108 PolarHBondContact OH-NE 3.46Å
96W88.5Confident89Confident97 Ų9773.4 Ų73.437%0.36737%0.371SS..Iπ-helixtrans-89.7-32.7-174.3-72.6103.8000114.8Y92Y92-W96 AromaticContact CD2-CD1 3.33Å; Y92-W96 AromaticContact CD2-NE1 3.51Å; Y92-W96 AromaticContact CE1-CD1 4Å; Y92-W96 AromaticContact CE2-CD1 3.15Å; Y92-W96 HydrophobicContact CE2-CG 4.18Å; Y92-W96 AromaticContact CE2-NE1 3.18Å; Y92-W96 AromaticContact CG-CD1 3.85Å; Y92-W96 AromaticContact CZ-CD1 3.49Å; Y92-W96 VanDerWaalsContact CZ-CD1 3.49Å; Y92-W96 AromaticContact CZ-NE1 3.88Å; Y92-W96 VanDerWaalsContact O-CD1 3.31Å; Y92-W96 PolarHBondContact O-N 3.35Å
97Y89.2Confident88.9Confident184 Ų18473.2 Ų73.272%0.72237%0.367SS*.Iπ-helixtrans-108.4-23.5-174.3-63-81.7000114.4C93C93-Y97 HydrophobicContact CB-CD2 4.37Å; C93-Y97 WeakPolarHBondContact O-CB 3.33Å; C93-Y97 PolarHBondContact O-N 2.91Å
98V90.6Very high88.7Confident106 Ų10674.1 Ų74.164%0.64236%0.363SS*.Iπ-helixtrans-102.6-42.5-176.3-177.80000111.9N94N94-V98 WeakPolarHBondContact O-CB 3.27Å; N94-V98 PolarHBondContact O-N 3.49Å
99K89.2Confident88.6Confident70 Ų7080.3 Ų80.330%0.30439%0.389SS..SBendtrans-76.6135.1-175.3-74.1-173.3177.4-680112.7N94 Y95 D103 R104 I107N94-K99 PolarHBondContact O-N 2.99Å; N94-K99 WeakPolarHBondContact OD1-CE 3.32Å; Y95-K99 HydrophobicContact CD2-CD 4.39Å; K99-D103 HydrophobicContact CB-CB 4.11Å; K99-D103 HydrophobicContact CD-CB 4.35Å; K99-D103 HydrophobicContact CG-CB 4.32Å; K99-R104 HydrophobicContact CB-CG 3.98Å; K99-I107 HydrophobicContact CD-CD1 3.41Å; K99-I107 VanDerWaalsContact CD-CD1 3.41Å
100S90.1Very high88.6Confident67 Ų6786 Ų8647%0.46941%0.413SS..  trans-67.8161.7171.3-175.30000110.8N102 D103 R104S100-N102 PolarHBondContact O-N 3.19Å; S100-D103 PolarHBondContact N-OD2 3.2Å; S100-D103 PolarHBondContact O-N 3.2Å; S100-R104 WeakPolarHBondContact O-CG 3.33Å; S100-R104 PolarHBondContact O-N 3.32Å
101E88.6Confident88.2Confident115 Ų11585.7 Ų85.754%0.53740%0.401SS..Hα-helixtrans-58.1-35.8177.5-16817015800112.9R104 N105E101-R104 PolarHBondContact O-N 3.02Å; E101-N105 WeakPolarHBondContact O-CB 3.35Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-N105 PolarHBondContact O-ND2 2.91Å
102N90.3Very high87.7Confident122 Ų12293.3 Ų93.365%0.65243%0.43SS*.Hα-helixtrans-61.1-47.6175.4-67.8-22.1000111.7S100 R104 N105 E106S100-N102 PolarHBondContact O-N 3.19Å; N102-R104 VanDerWaalsContact C-N 3.34Å; N102-R104 PolarHBondContact O-N 3.18Å; N102-N105 PolarHBondContact O-N 3.06Å; N102-E106 PolarHBondContact O-N 3.21Å
103D89.6Confident86.7Confident68 Ų6897.8 Ų97.836%0.36447%0.469SS..Hα-helixtrans-64.2-40178.2-56.2-18.7000111.5K99 S100 N105 E106 I107K99-D103 HydrophobicContact CB-CB 4.11Å; K99-D103 HydrophobicContact CD-CB 4.35Å; K99-D103 HydrophobicContact CG-CB 4.32Å; S100-D103 PolarHBondContact N-OD2 3.2Å; S100-D103 PolarHBondContact O-N 3.2Å; D103-N105 VanDerWaalsContact C-N 3.31Å; D103-N105 PolarHBondContact O-N 3.31Å; D103-E106 PolarHBondContact O-N 3.18Å; D103-I107 VanDerWaalsContact O-CG1 3.27Å; D103-I107 WeakPolarHBondContact O-CG1 3.38Å; D103-I107 PolarHBondContact O-N 3.49Å
104R88.1Confident86.5Confident48 Ų48100.2 Ų100.218%0.18148%0.476CS..Hα-helixtrans-63.7-39.6176.4-68.8-173.9-61.8-175.50.8111.1Y95 K99 S100 E101 N102 I107 R108Y95-R104 HydrophobicContact CD2-CG 4.22Å; Y95-R104 HydrophobicContact CE1-CG 4.22Å; Y95-R104 HydrophobicContact CE2-CB 4.02Å; Y95-R104 HydrophobicContact CE2-CG 3.82Å; Y95-R104 VanDerWaalsContact O-CD 3.27Å; Y95-R104 WeakPolarHBondContact O-CD 3.47Å; K99-R104 HydrophobicContact CB-CG 3.98Å; S100-R104 WeakPolarHBondContact O-CG 3.33Å; S100-R104 PolarHBondContact O-N 3.32Å; E101-R104 PolarHBondContact O-N 3.02Å; N102-R104 VanDerWaalsContact C-N 3.34Å; N102-R104 PolarHBondContact O-N 3.18Å; R104-I107 PolarHBondContact O-N 3.19Å; R104-R108 WeakPolarHBondContact O-CG 3.43Å; R104-R108 PolarHBondContact O-N 2.97Å
105N88.5Confident86.4Confident53 Ų53101.8 Ų101.828%0.28348%0.481SS..Hα-helixtrans-69.1-37176.3-73-21.8000112.3E101 N102 D103 R108 K109E101-N105 WeakPolarHBondContact O-CB 3.35Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-N105 PolarHBondContact O-ND2 2.91Å; N102-N105 PolarHBondContact O-N 3.06Å; D103-N105 VanDerWaalsContact C-N 3.31Å; D103-N105 PolarHBondContact O-N 3.31Å; N105-R108 WeakPolarHBondContact O-CB 3.27Å; N105-R108 PolarHBondContact O-N 3.43Å; N105-R108 PolarHBondContact OD1-NH1 3.38Å; N105-K109 WeakPolarHBondContact O-CG 3.37Å; N105-K109 PolarHBondContact O-N 2.96Å
106E88.7Confident86.3Confident136 Ų136107.3 Ų107.364%0.63651%0.507SS*.Hα-helixtrans-63-44.9172.2-169.6-176.6160.700111.3N102 D103 R108 K109 K110N102-E106 PolarHBondContact O-N 3.21Å; D103-E106 PolarHBondContact O-N 3.18Å; E106-R108 PolarHBondContact O-N 3.35Å; E106-K109 WeakPolarHBondContact O-CB 3.36Å; E106-K109 PolarHBondContact O-N 3.35Å; E106-K110 WeakPolarHBondContact O-CB 3.49Å; E106-K110 PolarHBondContact O-N 3.17Å
107I86.5Confident86.2Confident29 Ų29107.9 Ų107.915%0.14952%0.516CS..Hα-helixtrans-59-47.6174.3-69.9166.8000110.4P42 Y95 K99 D103 R104 K109 K110 Y111P42-I107 HydrophobicContact CG-CG2 3.82Å; Y95-I107 HydrophobicContact CD2-CD1 4.06Å; Y95-I107 HydrophobicContact CE2-CB 4.28Å; Y95-I107 HydrophobicContact CE2-CD1 4.09Å; Y95-I107 HydrophobicContact CE2-CG2 4Å; K99-I107 HydrophobicContact CD-CD1 3.41Å; K99-I107 VanDerWaalsContact CD-CD1 3.41Å; D103-I107 VanDerWaalsContact O-CG1 3.27Å; D103-I107 WeakPolarHBondContact O-CG1 3.38Å; D103-I107 PolarHBondContact O-N 3.49Å; R104-I107 PolarHBondContact O-N 3.19Å; I107-K109 VanDerWaalsContact C-N 3.29Å; I107-K109 PolarHBondContact O-N 3.02Å; I107-K110 WeakPolarHBondContact O-CB 3.42Å; I107-K110 PolarHBondContact O-N 2.92Å; I107-K110 VanDerWaalsContact O-N 3.12Å; I107-Y111 HydrophobicContact CG2-CD2 3.95Å; I107-Y111 HydrophobicContact CG2-CE2 3.87Å; I107-Y111 VanDerWaalsContact O-CD2 3.32Å; I107-Y111 WeakPolarHBondContact O-CD2 3.32Å; I107-Y111 PolarHBondContact O-N 3.28Å
108R86.2Confident86Confident74 Ų74103.2 Ų103.228%0.27950%0.503SS..Hα-helixtrans-55.5-42.5175.7-79.5166.3174.6164.2-3112.8E43 Y95 R104 N105 E106 R112E43-R108 VanDerWaalsContact CD-NE 3.3Å; E43-R108 IonicContact OE1-CZ 3.24Å; E43-R108 VanDerWaalsContact OE1-CZ 3.24Å; E43-R108 IonicContact OE1-NE 2.91Å; E43-R108 PolarHBondContact OE1-NE 3.13Å; E43-R108 IonicContact OE1-NH2 2.73Å; E43-R108 PolarHBondContact OE1-NH2 3.32Å; E43-R108 WeakPolarHBondContact OE2-CG 3.35Å; E43-R108 IonicContact OE2-NE 3.07Å; E43-R108 PolarHBondContact OE2-NE 3.46Å; E43-R108 VanDerWaalsContact OE2-NE 3.07Å; Y95-R108 PolarHBondContact OH-NE 3.46Å; R104-R108 WeakPolarHBondContact O-CG 3.43Å; R104-R108 PolarHBondContact O-N 2.97Å; N105-R108 WeakPolarHBondContact O-CB 3.27Å; N105-R108 PolarHBondContact O-N 3.43Å; N105-R108 PolarHBondContact OD1-NH1 3.38Å; E106-R108 PolarHBondContact O-N 3.35Å; R108-R112 WeakPolarHBondContact O-CB 3.49Å; R108-R112 PolarHBondContact O-N 3.23Å
109K86.7Confident85.7Confident152 Ų152103 Ų10366%0.66149%0.493SS*.Hα-helixtrans-63.9-46.6175.8-73.1176.9-175.9-179.50111N105 E106 I107 Y111 R112 S113N105-K109 WeakPolarHBondContact O-CG 3.37Å; N105-K109 PolarHBondContact O-N 2.96Å; E106-K109 WeakPolarHBondContact O-CB 3.36Å; E106-K109 PolarHBondContact O-N 3.35Å; I107-K109 VanDerWaalsContact C-N 3.29Å; I107-K109 PolarHBondContact O-N 3.02Å; K109-Y111 PolarHBondContact O-N 3.45Å; K109-R112 PolarHBondContact O-N 2.9Å; K109-S113 PolarHBondContact O-N 2.91Å
110K86.5Confident85.4Confident153 Ų153105.4 Ų105.467%0.66551%0.507SS*.Hα-helixtrans-56.6-33.7-179.1-175.8176.6-175.8175.10113.7E106 I107 S113E106-K110 WeakPolarHBondContact O-CB 3.49Å; E106-K110 PolarHBondContact O-N 3.17Å; I107-K110 WeakPolarHBondContact O-CB 3.42Å; I107-K110 PolarHBondContact O-N 2.92Å; I107-K110 VanDerWaalsContact O-N 3.12Å; K110-S113 PolarHBondContact O-OG 3.45Å
111Y82.2Confident85.1Confident94 Ų94108.3 Ų108.337%0.36951%0.51SS..THydrogen-bonded Turntrans-100.51.4178.5-70.7-94.4000114.1N41 I107 K109N41-Y111 HydrophobicContact CB-CD1 4.49Å; N41-Y111 VanDerWaalsContact CG-CB 3.46Å; N41-Y111 VanDerWaalsContact CG-CG 3.42Å; N41-Y111 VanDerWaalsContact ND2-CB 3.33Å; N41-Y111 WeakPolarHBondContact ND2-CB 3.46Å; N41-Y111 WeakPolarHBondContact OD1-CB 3.36Å; N41-Y111 VanDerWaalsContact OD1-CD1 3.29Å; N41-Y111 WeakPolarHBondContact OD1-CD1 3.38Å; N41-Y111 WeakPolarHBondContact OD1-CD2 3.2Å; I107-Y111 HydrophobicContact CG2-CD2 3.95Å; I107-Y111 HydrophobicContact CG2-CE2 3.87Å; I107-Y111 VanDerWaalsContact O-CD2 3.32Å; I107-Y111 WeakPolarHBondContact O-CD2 3.32Å; I107-Y111 PolarHBondContact O-N 3.28Å; K109-Y111 PolarHBondContact O-N 3.45Å
112R77.8Confident84.8Confident215 Ų215107.8 Ų107.881%0.81151%0.508SS*.THydrogen-bonded Turntrans-90-30.1170.5-175.2-175.1-67.1-172.9-2.5111.5R108 K109R108-R112 WeakPolarHBondContact O-CB 3.49Å; R108-R112 PolarHBondContact O-N 3.23Å; K109-R112 PolarHBondContact O-N 2.9Å
113S66.2Low84.3Confident149 Ų149106.5 Ų106.5100%1.04250%0.495SS*.  trans-78.40172.962.10000111.9K109 K110K109-S113 PolarHBondContact O-N 2.91Å; K110-S113 PolarHBondContact O-OG 3.45Å

Retrieved 113 of 113 residues in 320.4 ms (Link to these results)

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