A0A5K4F823_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F823, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 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
1M64Low83.4Confident137 Ų137100.3 Ų100.368%0.67550%0.501SS*.  0-70.80-52.4-157.7104.600114.4V3 E4 L5 C79 S82M1-V3 PolarHBondContact O-N 3.43Å; M1-E4 WeakPolarHBondContact CA-OE2 3.29Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 PolarHBondContact O-N 2.95Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-C79 WeakPolarHBondContact CE-O 3.49Å; M1-S82 WeakPolarHBondContact CE-OXT 3.03Å
2K71.5Confident84Confident183 Ų18392.8 Ų92.880%0.79647%0.466SS*.Hα-helixtrans-58-43-176-171.8177.4179.3-179.50113.5S6K2-S6 PolarHBondContact O-N 2.8Å; K2-S6 VanDerWaalsContact O-N 3.14Å; K2-S6 PolarHBondContact O-OG 3.3Å
3V73.7Confident84.6Confident120 Ų12089.1 Ų89.173%0.72745%0.451SS*.Hα-helixtrans-68-42.8-179.8-179.20000111.8M1 L5 S6 H7M1-V3 PolarHBondContact O-N 3.43Å; V3-L5 PolarHBondContact O-N 3.38Å; V3-S6 PolarHBondContact O-N 2.65Å; V3-H7 VanDerWaalsContact O-CB 3.29Å; V3-H7 WeakPolarHBondContact O-CB 3.24Å; V3-H7 PolarHBondContact O-N 3.28Å
4E79.1Confident85.1Confident117 Ų11792.7 Ų92.755%0.54746%0.458SS..Hα-helixtrans-64.6-40.7-179.7-67.6153.6160.500111.9M1 H7 S8M1-E4 WeakPolarHBondContact CA-OE2 3.29Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 PolarHBondContact O-N 2.95Å; E4-H7 PolarHBondContact O-N 2.87Å; E4-S8 WeakPolarHBondContact O-CB 3.09Å; E4-S8 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-OG 3.29Å
5L85.8Confident85.4Confident47 Ų4794 Ų9425%0.24646%0.462CS..Hα-helixtrans-65.5-48.9176.1178.860.9000111.1M1 V3 H7 S8 I9 C75 I76 C79M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.08Å; V3-L5 PolarHBondContact O-N 3.38Å; L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 3.28Å; L5-S8 PolarHBondContact O-N 3.45Å; L5-I9 HydrophobicContact CD1-CD1 3.81Å; L5-I9 HydrophobicContact CD1-CG1 4.09Å; L5-I9 HydrophobicContact CG-CD1 3.85Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.47Å; L5-C75 HydrophobicContact CD1-CB 4.44Å; L5-I76 HydrophobicContact CD1-CB 4.46Å; L5-I76 HydrophobicContact CD1-CG1 3.95Å; L5-I76 HydrophobicContact CD2-CG1 4.42Å; L5-C79 HydrophobicContact CB-CB 4.46Å; L5-C79 HydrophobicContact CD1-CB 4.05Å
6S87.2Confident85.7Confident71 Ų7189.4 Ų89.450%0.49744%0.439SS..Hα-helixtrans-59.2-40.5177.7-65.40000112K2 V3 Y10K2-S6 PolarHBondContact O-N 2.8Å; K2-S6 VanDerWaalsContact O-N 3.14Å; K2-S6 PolarHBondContact O-OG 3.3Å; V3-S6 PolarHBondContact O-N 2.65Å; S6-Y10 WeakPolarHBondContact O-CB 3.34Å; S6-Y10 PolarHBondContact O-N 3.25Å
7H89.1Confident85.8Confident112 Ų11288.9 Ų88.952%0.51944%0.438SS..Hα-helixtrans-65.1-43.8176.3-177-103.8000112.2V3 E4 L5 Y10 I11V3-H7 VanDerWaalsContact O-CB 3.29Å; V3-H7 WeakPolarHBondContact O-CB 3.24Å; V3-H7 PolarHBondContact O-N 3.28Å; E4-H7 PolarHBondContact O-N 2.87Å; L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 3.28Å; H7-Y10 WeakPolarHBondContact O-CB 3.46Å; H7-Y10 PolarHBondContact O-N 3.27Å; H7-I11 WeakPolarHBondContact CE1-CD1 3.43Å; H7-I11 WeakPolarHBondContact O-CG1 3.46Å; H7-I11 PolarHBondContact O-N 3.49Å
8S89.4Confident86.1Confident42 Ų4287.7 Ų87.729%0.29443%0.434SS..Hα-helixtrans-65-43.5178.9-57.80000112.2E4 L5 Y10 I11 C12E4-S8 WeakPolarHBondContact O-CB 3.09Å; E4-S8 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-OG 3.29Å; L5-S8 PolarHBondContact O-N 3.45Å; S8-Y10 VanDerWaalsContact C-N 3.32Å; S8-Y10 PolarHBondContact O-N 2.85Å; S8-I11 PolarHBondContact O-N 3.23Å; S8-C12 VanDerWaalsContact O-CB 3.26Å; S8-C12 WeakPolarHBondContact O-CB 3.46Å; S8-C12 PolarHBondContact O-N 3.39Å
9I93Very high86.2Confident46 Ų4688.4 Ų88.424%0.23643%0.431CS..Hα-helixtrans-61.5-41.7175-70.6172.3000110.9L5 C12 T13 V72 C75 I76L5-I9 HydrophobicContact CD1-CD1 3.81Å; L5-I9 HydrophobicContact CD1-CG1 4.09Å; L5-I9 HydrophobicContact CG-CD1 3.85Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.47Å; I9-C12 PolarHBondContact O-N 3.12Å; I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 3.07Å; I9-T13 PolarHBondContact O-OG1 3.42Å; I9-V72 HydrophobicContact CD1-CG1 4.21Å; I9-V72 HydrophobicContact CG1-CG1 4.29Å; I9-V72 HydrophobicContact CG2-CG2 4.23Å; I9-C75 HydrophobicContact CG1-CB 4.09Å; I9-I76 HydrophobicContact CD1-CG1 4.42Å
10Y91.9Very high86.2Confident157 Ų15785.5 Ų85.562%0.61642%0.417SS*.Hα-helixtrans-61.2-49.1177.5175.2-98.1000111.6S6 H7 S8 T13 Y14S6-Y10 WeakPolarHBondContact O-CB 3.34Å; S6-Y10 PolarHBondContact O-N 3.25Å; H7-Y10 WeakPolarHBondContact O-CB 3.46Å; H7-Y10 PolarHBondContact O-N 3.27Å; S8-Y10 VanDerWaalsContact C-N 3.32Å; S8-Y10 PolarHBondContact O-N 2.85Å; Y10-T13 PolarHBondContact O-N 3.16Å; Y10-Y14 WeakPolarHBondContact O-CB 3.36Å; Y10-Y14 PolarHBondContact O-N 3.27Å
11I92.4Very high86.4Confident71 Ų7185.2 Ų85.236%0.36442%0.421SS..Hα-helixtrans-60.5-47.5177.2-72177.5000111.1H7 S8 T13 Y14 H15H7-I11 WeakPolarHBondContact CE1-CD1 3.43Å; H7-I11 WeakPolarHBondContact O-CG1 3.46Å; H7-I11 PolarHBondContact O-N 3.49Å; S8-I11 PolarHBondContact O-N 3.23Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.11Å; I11-Y14 PolarHBondContact O-N 3.09Å; I11-H15 PolarHBondContact O-CD2 3.45Å; I11-H15 VanDerWaalsContact O-CD2 3.25Å; I11-H15 PolarHBondContact O-N 3.32Å
12C91.2Very high87.6Confident11 Ų1183.9 Ų83.97%0.07441%0.411CS..Hα-helixtrans-53.8-50.3175.81580000111.6S8 I9 Y14 H15 H16 C71S8-C12 VanDerWaalsContact O-CB 3.26Å; S8-C12 WeakPolarHBondContact O-CB 3.46Å; S8-C12 PolarHBondContact O-N 3.39Å; I9-C12 PolarHBondContact O-N 3.12Å; C12-Y14 PolarHBondContact O-N 3.31Å; C12-H15 PolarHBondContact O-N 3Å; C12-H16 VanDerWaalsContact O-CB 3.23Å; C12-H16 WeakPolarHBondContact O-CB 3.3Å; C12-H16 PolarHBondContact O-N 3.44Å; C12-C71 HydrophobicContact CB-CB 4.49Å; C12-C71 WeakPolarHBondContact CB-SG 3.39Å; C12-C71 WeakPolarHBondContact SG-CB 3.38Å; C12-C71 CovalentContact SG-SG 2.01Å; C12-C71 PolarHBondContact SG-SG 3.26Å
13T91.2Very high88.3Confident44 Ų4477.7 Ų77.727%0.2739%0.387SS..Hα-helixtrans-64.2-41.1179.3-54.20000111.7I9 Y10 I11 H16 N17 L68I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 3.07Å; I9-T13 PolarHBondContact O-OG1 3.42Å; Y10-T13 PolarHBondContact O-N 3.16Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.11Å; T13-H16 PolarHBondContact O-N 2.8Å; T13-N17 VanDerWaalsContact O-CG 3.32Å; T13-N17 PolarHBondContact O-N 2.93Å; T13-N17 PolarHBondContact O-ND2 3.37Å; T13-L68 HydrophobicContact CG2-CD1 4.14Å
14Y91.4Very high89Confident140 Ų14075.2 Ų75.255%0.54937%0.369SS..Hα-helixtrans-61.4-51.2178.2177.2-95.1000111.9Y10 I11 C12 H16 N17 D18Y10-Y14 WeakPolarHBondContact O-CB 3.36Å; Y10-Y14 PolarHBondContact O-N 3.27Å; I11-Y14 PolarHBondContact O-N 3.09Å; C12-Y14 PolarHBondContact O-N 3.31Å; Y14-H16 VanDerWaalsContact C-N 3.32Å; Y14-H16 PolarHBondContact O-N 2.9Å; Y14-N17 PolarHBondContact O-N 3.45Å; Y14-D18 PolarHBondContact O-N 2.98Å
15H90.5Very high89.5Confident112 Ų11273.7 Ų73.752%0.51936%0.363SS..Hα-helixtrans-66.7-34.7178.5-76-67.2000112.7I11 C12 D18 W19I11-H15 PolarHBondContact O-CD2 3.45Å; I11-H15 VanDerWaalsContact O-CD2 3.25Å; I11-H15 PolarHBondContact O-N 3.32Å; C12-H15 PolarHBondContact O-N 3Å; H15-D18 PolarHBondContact O-N 3.39Å; H15-W19 WeakPolarHBondContact O-CB 3.31Å; H15-W19 PolarHBondContact O-N 3.5Å
16H89.8Confident89.6Confident20 Ų2076.4 Ų76.49%0.09338%0.378CS..Hα-helixtrans-61.7-44.5174.4-177.4-85.1000111.7C12 T13 Y14 W19 L20 S64 S67 L68C12-H16 VanDerWaalsContact O-CB 3.23Å; C12-H16 WeakPolarHBondContact O-CB 3.3Å; C12-H16 PolarHBondContact O-N 3.44Å; T13-H16 PolarHBondContact O-N 2.8Å; Y14-H16 VanDerWaalsContact C-N 3.32Å; Y14-H16 PolarHBondContact O-N 2.9Å; H16-W19 PolarHBondContact O-N 3.31Å; H16-L20 WeakPolarHBondContact O-CB 3.29Å; H16-L20 PolarHBondContact O-N 3.2Å; H16-S64 PolarHBondContact CE1-O 2.89Å; H16-S64 PolarHBondContact NE2-O 3.27Å; H16-S67 PolarHBondContact NE2-OG 3.01Å; H16-L68 HydrophobicContact CB-CD1 4.08Å; H16-L68 PolarHBondContact NE2-N 3.4Å
17N88Confident89.4Confident81 Ų8175.1 Ų75.143%0.43336%0.363SS..Hα-helixtrans-63.9-43175.8-73.6-33.6000112.6T13 Y14 W19 L20 V21T13-N17 VanDerWaalsContact O-CG 3.32Å; T13-N17 PolarHBondContact O-N 2.93Å; T13-N17 PolarHBondContact O-ND2 3.37Å; Y14-N17 PolarHBondContact O-N 3.45Å; N17-W19 VanDerWaalsContact C-N 3.33Å; N17-W19 PolarHBondContact O-N 2.92Å; N17-L20 PolarHBondContact O-N 2.97Å; N17-V21 WeakPolarHBondContact O-CG2 3.39Å; N17-V21 PolarHBondContact O-N 3.45Å
18D90Very high89.2Confident67 Ų6773.3 Ų73.336%0.35836%0.356SS..Hα-helixtrans-59.9-44.4175.617758.8000111.5Y14 H15 K22Y14-D18 PolarHBondContact O-N 2.98Å; H15-D18 PolarHBondContact O-N 3.39Å; D18-K22 WeakPolarHBondContact O-CG 3.15Å; D18-K22 PolarHBondContact O-N 2.96Å; D18-K22 VanDerWaalsContact O-N 3.16Å; D18-K22 WeakPolarHBondContact OD1-CE 3.29Å; D18-K22 IonicContact OD1-NZ 3.4Å; D18-K22 PolarHBondContact OD1-NZ 2.89Å; D18-K22 WeakPolarHBondContact OD2-CE 3.24Å; D18-K22 IonicContact OD2-NZ 3.82Å; D18-K22 PolarHBondContact OD2-NZ 3.42Å
19W87.9Confident89.1Confident102 Ų10275.1 Ų75.139%0.38636%0.362SS..Hα-helixtrans-62.4-44.2174.817382.9000112.3H15 H16 N17 K22 L23 F63H15-W19 WeakPolarHBondContact O-CB 3.31Å; H15-W19 PolarHBondContact O-N 3.5Å; H16-W19 PolarHBondContact O-N 3.31Å; N17-W19 VanDerWaalsContact C-N 3.33Å; N17-W19 PolarHBondContact O-N 2.92Å; W19-K22 WeakPolarHBondContact O-CB 3.47Å; W19-K22 PolarHBondContact O-N 2.92Å; W19-L23 HydrophobicContact CH2-CD1 3.6Å; W19-L23 HydrophobicContact CZ2-CD1 3.47Å; W19-L23 VanDerWaalsContact CZ2-CD1 3.47Å; W19-L23 PolarHBondContact O-N 3.33Å; W19-F63 AromaticContact CH2-CD1 3.57Å; W19-F63 HydrophobicContact CH2-CD1 3.57Å; W19-F63 AromaticContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CZ 4.49Å; W19-F63 AromaticContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ3-CD1 4.15Å; W19-F63 HydrophobicContact CZ3-CE1 4.02Å
20L87.9Confident88.4Confident29 Ų2978.7 Ų78.715%0.15238%0.377CS..Hα-helixtrans-62.3-45.2179.6179.760.8000111.9H16 N17 K22 L23 I24 I60H16-L20 WeakPolarHBondContact O-CB 3.29Å; H16-L20 PolarHBondContact O-N 3.2Å; N17-L20 PolarHBondContact O-N 2.97Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.2Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-I24 HydrophobicContact CD1-CD1 4.21Å; L20-I24 HydrophobicContact CD1-CG1 4.41Å; L20-I24 HydrophobicContact CG-CD1 4.06Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.82Å; L20-I60 HydrophobicContact CD1-CG2 3.99Å
21V88.6Confident87.6Confident81 Ų8173.1 Ų73.149%0.49136%0.358SS..Hα-helixtrans-60.1-43.5177.5169.90000110.5N17 L23 I24 I25N17-V21 WeakPolarHBondContact O-CG2 3.39Å; N17-V21 PolarHBondContact O-N 3.45Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 3.13Å; V21-I24 PolarHBondContact O-N 3.29Å; V21-I25 HydrophobicContact CG1-CD1 3.76Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 3Å
22K90.4Very high86.8Confident109 Ų10978.7 Ų78.747%0.47437%0.374SS..Hα-helixtrans-60.7-42.8175.4-72.7168.1-180166.10112.1D18 W19 L20 I25 N26D18-K22 WeakPolarHBondContact O-CG 3.15Å; D18-K22 PolarHBondContact O-N 2.96Å; D18-K22 VanDerWaalsContact O-N 3.16Å; D18-K22 WeakPolarHBondContact OD1-CE 3.29Å; D18-K22 IonicContact OD1-NZ 3.4Å; D18-K22 PolarHBondContact OD1-NZ 2.89Å; D18-K22 WeakPolarHBondContact OD2-CE 3.24Å; D18-K22 IonicContact OD2-NZ 3.82Å; D18-K22 PolarHBondContact OD2-NZ 3.42Å; W19-K22 WeakPolarHBondContact O-CB 3.47Å; W19-K22 PolarHBondContact O-N 2.92Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.2Å; K22-I25 PolarHBondContact O-N 3.45Å; K22-N26 WeakPolarHBondContact O-CB 3.29Å; K22-N26 VanDerWaalsContact O-CG 3.27Å; K22-N26 PolarHBondContact O-N 3.37Å; K22-N26 PolarHBondContact O-ND2 2.88Å
23L86.1Confident85.8Confident53 Ų5385 Ų8528%0.27740%0.402SS..Hα-helixtrans-62.9-44.7177.6-174142.4000111.8W19 L20 V21 I25 N26 Y27 I60W19-L23 HydrophobicContact CH2-CD1 3.6Å; W19-L23 HydrophobicContact CZ2-CD1 3.47Å; W19-L23 VanDerWaalsContact CZ2-CD1 3.47Å; W19-L23 PolarHBondContact O-N 3.33Å; L20-L23 PolarHBondContact O-N 2.93Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 3.13Å; L23-I25 PolarHBondContact O-N 3.26Å; L23-N26 PolarHBondContact O-N 3.47Å; L23-Y27 WeakPolarHBondContact O-CB 3.07Å; L23-Y27 PolarHBondContact O-N 2.82Å; L23-I60 HydrophobicContact CD2-CB 4.46Å; L23-I60 HydrophobicContact CD2-CD1 4.04Å; L23-I60 HydrophobicContact CD2-CG1 3.92Å; L23-I60 HydrophobicContact CD2-CG2 3.76Å
24I88.1Confident84.4Confident68 Ų6888.3 Ų88.335%0.34942%0.418SS..Hα-helixtrans-62.7-43.6177.3-68.9169.9000111L20 V21 Y27 I28 I60L20-I24 HydrophobicContact CD1-CD1 4.21Å; L20-I24 HydrophobicContact CD1-CG1 4.41Å; L20-I24 HydrophobicContact CG-CD1 4.06Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.82Å; V21-I24 PolarHBondContact O-N 3.29Å; I24-Y27 PolarHBondContact O-N 2.9Å; I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.3Å; I24-I28 PolarHBondContact O-N 3.16Å; I24-I60 HydrophobicContact CG1-CG2 4.21Å
25I90.6Very high82.8Confident84 Ų8485.7 Ų85.743%0.43142%0.416SS..Hα-helixtrans-60.9-47.9177.6-70.8167.3000110.6V21 K22 L23 Y27 I28 I29V21-I25 HydrophobicContact CG1-CD1 3.76Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 3Å; K22-I25 PolarHBondContact O-N 3.45Å; L23-I25 PolarHBondContact O-N 3.26Å; I25-Y27 VanDerWaalsContact C-N 3.31Å; I25-Y27 PolarHBondContact O-N 3.44Å; I25-I28 PolarHBondContact O-N 3.46Å; I25-I29 HydrophobicContact CG2-CD1 3.77Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.34Å; I25-I29 PolarHBondContact O-N 3.28Å
26N86.7Confident81Confident104 Ų10484.5 Ų84.556%0.55642%0.419SS*.Hα-helixtrans-60.1-42.9177.9-72.2-16.5000111.6K22 L23 I29 E30K22-N26 WeakPolarHBondContact O-CB 3.29Å; K22-N26 VanDerWaalsContact O-CG 3.27Å; K22-N26 PolarHBondContact O-N 3.37Å; K22-N26 PolarHBondContact O-ND2 2.88Å; L23-N26 PolarHBondContact O-N 3.47Å; N26-I29 PolarHBondContact O-N 3.43Å; N26-E30 WeakPolarHBondContact O-CB 3.36Å; N26-E30 PolarHBondContact O-N 3.41Å
27Y83.4Confident79.2Confident45 Ų4592.4 Ų92.418%0.17645%0.453CS..Hα-helixtrans-61-44.8175.1176.3-109.6000112.3L23 I24 I25 I29 E30 L31 N56 I60L23-Y27 WeakPolarHBondContact O-CB 3.07Å; L23-Y27 PolarHBondContact O-N 2.82Å; I24-Y27 PolarHBondContact O-N 2.9Å; I25-Y27 VanDerWaalsContact C-N 3.31Å; I25-Y27 PolarHBondContact O-N 3.44Å; Y27-I29 VanDerWaalsContact C-N 3.33Å; Y27-I29 PolarHBondContact O-N 3.34Å; Y27-E30 PolarHBondContact O-N 2.89Å; Y27-L31 HydrophobicContact CD1-CD1 3.93Å; Y27-L31 HydrophobicContact CD1-CG 4.44Å; Y27-L31 HydrophobicContact CE1-CD1 3.33Å; Y27-L31 HydrophobicContact CE1-CG 4Å; Y27-L31 HydrophobicContact CE2-CD1 4.31Å; Y27-L31 HydrophobicContact CE2-CD2 4.25Å; Y27-L31 HydrophobicContact CE2-CG 4.09Å; Y27-L31 WeakPolarHBondContact O-CG 3.48Å; Y27-L31 PolarHBondContact O-N 2.8Å; Y27-N56 HydrophobicContact CE1-CB 4.5Å; Y27-N56 HydrophobicContact CE2-CB 4.21Å; Y27-N56 WeakPolarHBondContact OH-CB 3.49Å; Y27-N56 PolarHBondContact OH-ND2 3.28Å; Y27-N56 VanDerWaalsContact OH-ND2 3.13Å; Y27-I60 HydrophobicContact CD1-CD1 3.95Å; Y27-I60 HydrophobicContact CD2-CD1 4.39Å; Y27-I60 HydrophobicContact CE1-CD1 4.33Å; Y27-I60 HydrophobicContact CG-CD1 3.98Å
28I84.3Confident77.4Confident74 Ų7495 Ų9538%0.37948%0.476SS..Hα-helixtrans-63-40.5176.9-69.8168.1000111.2I24 I25 L31 R32I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.3Å; I24-I28 PolarHBondContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.46Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-R32 WeakPolarHBondContact O-CG 3.4Å; I28-R32 PolarHBondContact O-N 3.19Å; I28-R32 VanDerWaalsContact O-N 3.16Å
29I87.3Confident75.4Confident80 Ų8096 Ų9641%0.4149%0.488SS..Hα-helixtrans-61.9-48.6176.4-69.8166.8000109.8I25 N26 Y27 L31 R32 H33I25-I29 HydrophobicContact CG2-CD1 3.77Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.34Å; I25-I29 PolarHBondContact O-N 3.28Å; N26-I29 PolarHBondContact O-N 3.43Å; Y27-I29 VanDerWaalsContact C-N 3.33Å; Y27-I29 PolarHBondContact O-N 3.34Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 2.95Å; I29-R32 WeakPolarHBondContact O-CB 3.39Å; I29-R32 PolarHBondContact O-N 3.27Å; I29-R32 VanDerWaalsContact O-N 3.11Å; I29-H33 PolarHBondContact O-CD2 2.92Å; I29-H33 PolarHBondContact O-N 2.95Å
30E79.8Confident73.6Confident120 Ų12099.8 Ų99.856%0.56151%0.51SS*.Hα-helixtrans-59.3-42.2177.8-169.8173.7177.800111.8N26 Y27 R32 H33 L34N26-E30 WeakPolarHBondContact O-CB 3.36Å; N26-E30 PolarHBondContact O-N 3.41Å; Y27-E30 PolarHBondContact O-N 2.89Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.41Å; E30-H33 PolarHBondContact O-N 3.22Å; E30-H33 VanDerWaalsContact O-N 3.07Å; E30-L34 HydrophobicContact CG-CD1 4.39Å; E30-L34 WeakPolarHBondContact O-CG 3.42Å; E30-L34 PolarHBondContact O-N 2.89Å; E30-L34 VanDerWaalsContact O-N 3.09Å
31L73.7Confident71.9Confident40 Ų40103.8 Ų103.821%0.20954%0.536CS..Hα-helixtrans-59-36.9175-78.4179.9000113.5Y27 I28 I29 H33 L34 T35Y27-L31 HydrophobicContact CD1-CD1 3.93Å; Y27-L31 HydrophobicContact CD1-CG 4.44Å; Y27-L31 HydrophobicContact CE1-CD1 3.33Å; Y27-L31 HydrophobicContact CE1-CG 4Å; Y27-L31 HydrophobicContact CE2-CD1 4.31Å; Y27-L31 HydrophobicContact CE2-CD2 4.25Å; Y27-L31 HydrophobicContact CE2-CG 4.09Å; Y27-L31 WeakPolarHBondContact O-CG 3.48Å; Y27-L31 PolarHBondContact O-N 2.8Å; I28-L31 PolarHBondContact O-N 2.98Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 2.95Å; L31-H33 VanDerWaalsContact C-N 3.31Å; L31-L34 PolarHBondContact O-N 2.7Å; L31-T35 PolarHBondContact O-N 2.88Å; L31-T35 PolarHBondContact O-OG1 2.68Å
32R75.4Confident70.1Confident189 Ų189105 Ų10571%0.71354%0.539SS*.Hα-helixtrans-67-34.2176.2-69.8177.8-175.7-1641.6111.8I28 I29 E30 L34 T35I28-R32 WeakPolarHBondContact O-CG 3.4Å; I28-R32 PolarHBondContact O-N 3.19Å; I28-R32 VanDerWaalsContact O-N 3.16Å; I29-R32 WeakPolarHBondContact O-CB 3.39Å; I29-R32 PolarHBondContact O-N 3.27Å; I29-R32 VanDerWaalsContact O-N 3.11Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.41Å; R32-L34 VanDerWaalsContact C-N 3.31Å; R32-T35 WeakPolarHBondContact CA-OG1 3.26Å; R32-T35 PolarHBondContact O-N 3.32Å; R32-T35 PolarHBondContact O-OG1 2.81Å
33H71.4Confident68.3Low142 Ų142104.8 Ų104.866%0.65755%0.552SS**Hα-helixtrans-73.3-23.8175.2-68.3-65.7000113I29 E30 L31 P36I29-H33 PolarHBondContact O-CD2 2.92Å; I29-H33 PolarHBondContact O-N 2.95Å; E30-H33 PolarHBondContact O-N 3.22Å; E30-H33 VanDerWaalsContact O-N 3.07Å; L31-H33 VanDerWaalsContact C-N 3.31Å; H33-P36 VanDerWaalsContact O-CD 3.26Å; H33-P36 WeakPolarHBondContact O-CD 3.47Å
34L61.2Low66.8Low114 Ų114106.4 Ų106.460%0.59757%0.568SS**THydrogen-bonded Turntrans-87.6-2.4175.8-65.2173.5000114.2E30 L31 R32 P36E30-L34 HydrophobicContact CG-CD1 4.39Å; E30-L34 WeakPolarHBondContact O-CG 3.42Å; E30-L34 PolarHBondContact O-N 2.89Å; E30-L34 VanDerWaalsContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 2.7Å; R32-L34 VanDerWaalsContact C-N 3.31Å; L34-P36 VanDerWaalsContact O-CD 3.24Å; L34-P36 WeakPolarHBondContact O-CD 3.29Å
35T58.3Low65Low85 Ų85108.7 Ų108.752%0.52158%0.58SS.*  trans-89.322.1177.23.60000117.6L31 R32L31-T35 PolarHBondContact O-N 2.88Å; L31-T35 PolarHBondContact O-OG1 2.68Å; R32-T35 WeakPolarHBondContact CA-OG1 3.26Å; R32-T35 PolarHBondContact O-N 3.32Å; R32-T35 PolarHBondContact O-OG1 2.81Å
36P51.6Low63.2Low88 Ų88107.4 Ų107.457%0.57158%0.579SS**  trans-85.8129.416833.1-25.1000108.8H33 L34H33-P36 VanDerWaalsContact O-CD 3.26Å; H33-P36 WeakPolarHBondContact O-CD 3.47Å; L34-P36 VanDerWaalsContact O-CD 3.24Å; L34-P36 WeakPolarHBondContact O-CD 3.29Å
37K52Low61.7Low186 Ų186109.4 Ų109.481%0.80958%0.584SS**  trans95.155174.3-48.1168.8-175.3-177.90116.3S39K37-S39 PolarHBondContact O-N 3.5Å
38C51Low60.3Low135 Ų135112.8 Ų112.891%0.91260%0.602SS**  trans-86.252.6140.4-76.10000109.7E40C38-E40 PolarHBondContact O-N 3.35Å
39S48.3Very low59Low89 Ų89113.1 Ų113.162%0.62260%0.6SS**SBendtrans-8596.3156.954.20000105.9K37K37-S39 PolarHBondContact O-N 3.5Å
40E48.9Very low57.6Low180 Ų180116.7 Ų116.784%0.84161%0.61SS**SBendtrans46.682156.7-58.1-179.6-17800116.7C38C38-E40 PolarHBondContact O-N 3.35Å
41T53.2Low56.9Low114 Ų114114 Ų11470%0.69960%0.604SS**  trans-176.6134.114115.30000112.7
42N49.9Very low56.8Low105 Ų105115.1 Ų115.156%0.56161%0.61SS**  trans83.496.6153.2-54.6-18.5000118S44 L45 S46N42-S44 PolarHBondContact O-N 2.97Å; N42-L45 HydrophobicContact CB-CB 4.11Å; N42-L45 VanDerWaalsContact O-CB 3.29Å; N42-L45 WeakPolarHBondContact O-CB 3.42Å; N42-L45 PolarHBondContact O-N 3.47Å; N42-S46 PolarHBondContact O-N 3.45Å
43S53.7Low56.8Low105 Ų105109.6 Ų109.673%0.73459%0.591SS**Hα-helixtrans-51.1-29.6161.250.50000113.5L45 S46 H47S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.3Å; S43-S46 PolarHBondContact O-N 3.48Å; S43-S46 PolarHBondContact O-OG 2.87Å; S43-H47 PolarHBondContact O-N 3.18Å
44S54.3Low57.3Low87 Ų87106.8 Ų106.861%0.60858%0.584SS**Hα-helixtrans-65.4-35.1173.468.40000112.8N42 S46 H47 H48N42-S44 PolarHBondContact O-N 2.97Å; S44-S46 VanDerWaalsContact C-N 3.34Å; S44-H47 PolarHBondContact O-N 2.66Å; S44-H48 PolarHBondContact O-N 3.07Å
45L50Low58.3Low116 Ų116108.1 Ų108.161%0.60758%0.582SS**Hα-helixtrans-70.1-34.3175.3-16475.6000110.8N42 S43 H47 H48 F49N42-L45 HydrophobicContact CB-CB 4.11Å; N42-L45 VanDerWaalsContact O-CB 3.29Å; N42-L45 WeakPolarHBondContact O-CB 3.42Å; N42-L45 PolarHBondContact O-N 3.47Å; S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.3Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-H47 PolarHBondContact O-N 3.48Å; L45-H48 PolarHBondContact O-N 3.24Å; L45-F49 WeakPolarHBondContact O-CB 3.35Å; L45-F49 PolarHBondContact O-N 2.89Å
46S53.4Low59.1Low58 Ų58106.5 Ų106.541%0.40657%0.57SS.*Hα-helixtrans-62.4-41.6176.177.20000111.8N42 S43 S44 F49 Y50N42-S46 PolarHBondContact O-N 3.45Å; S43-S46 PolarHBondContact O-N 3.48Å; S43-S46 PolarHBondContact O-OG 2.87Å; S44-S46 VanDerWaalsContact C-N 3.34Å; S46-F49 PolarHBondContact O-N 3.41Å; S46-Y50 WeakPolarHBondContact O-CD2 3.38Å; S46-Y50 PolarHBondContact O-N 2.99Å
47H55.7Low60.6Low145 Ų145107 Ų10767%0.67157%0.567SS**Hα-helixtrans-66.4-39.2176.3-166.6-86.9000111.8S43 S44 L45 F49 S51S43-H47 PolarHBondContact O-N 3.18Å; S44-H47 PolarHBondContact O-N 2.66Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-H47 PolarHBondContact O-N 3.48Å; H47-F49 VanDerWaalsContact C-N 3.35Å; H47-S51 VanDerWaalsContact O-CB 3.3Å; H47-S51 WeakPolarHBondContact O-CB 3.39Å; H47-S51 PolarHBondContact O-N 3Å
48H53.1Low62.2Low117 Ų117102.5 Ų102.554%0.54255%0.551SS.*Hα-helixtrans-62.3-44173.6-149.8-66000111.1S44 L45 S51 D52S44-H48 PolarHBondContact O-N 3.07Å; L45-H48 PolarHBondContact O-N 3.24Å; H48-S51 CarbonylContact O-C 3.57Å; H48-S51 WeakPolarHBondContact O-CB 3.3Å; H48-S51 PolarHBondContact O-N 3.02Å; H48-D52 IonicContact CE1-OD1 3.5Å; H48-D52 IonicContact CE1-OD2 2.68Å; H48-D52 IonicContact ND1-OD1 3.01Å; H48-D52 PolarHBondContact ND1-OD1 3Å; H48-D52 IonicContact ND1-OD2 3.64Å; H48-D52 PolarHBondContact ND1-OD2 3.41Å; H48-D52 WeakPolarHBondContact O-CB 3.25Å; H48-D52 PolarHBondContact O-N 3.32Å; H48-D52 VanDerWaalsContact O-OD2 3.05Å
49F56.7Low63.8Low81 Ų81100.3 Ų100.336%0.35553%0.53SS..Hα-helixtrans-68.7-37.1-179.4-162.1-113.5000113.3L45 S46 H47 D52 K53L45-F49 WeakPolarHBondContact O-CB 3.35Å; L45-F49 PolarHBondContact O-N 2.89Å; S46-F49 PolarHBondContact O-N 3.41Å; H47-F49 VanDerWaalsContact C-N 3.35Å; F49-D52 PolarHBondContact O-N 2.79Å; F49-K53 HydrophobicContact CD1-CD 4.34Å; F49-K53 HydrophobicContact CE1-CD 4.32Å; F49-K53 VanDerWaalsContact CE1-NZ 3.34Å; F49-K53 WeakPolarHBondContact O-CG 3.31Å; F49-K53 PolarHBondContact O-N 3.2Å
50Y59Low65.6Low155 Ų15597.5 Ų97.561%0.60851%0.508SS*.Hα-helixtrans-65.6-42.6170.8-82.4-69.8000111.2S46 D52 K53 V54S46-Y50 WeakPolarHBondContact O-CD2 3.38Å; S46-Y50 PolarHBondContact O-N 2.99Å; Y50-D52 VanDerWaalsContact C-N 3.3Å; Y50-D52 PolarHBondContact O-N 2.9Å; Y50-K53 PolarHBondContact O-N 2.68Å; Y50-V54 WeakPolarHBondContact O-CG2 3.41Å; Y50-V54 PolarHBondContact O-N 2.94Å
51S64.9Low67.4Low64 Ų6491.7 Ų91.745%0.44849%0.485SS..Hα-helixtrans-59.2-43.2174.5-170.70000110.9H47 H48 V54 Y55H47-S51 VanDerWaalsContact O-CB 3.3Å; H47-S51 WeakPolarHBondContact O-CB 3.39Å; H47-S51 PolarHBondContact O-N 3Å; H48-S51 CarbonylContact O-C 3.57Å; H48-S51 WeakPolarHBondContact O-CB 3.3Å; H48-S51 PolarHBondContact O-N 3.02Å; S51-V54 PolarHBondContact O-N 3.4Å; S51-Y55 WeakPolarHBondContact O-CB 3.41Å; S51-Y55 PolarHBondContact O-N 3.05Å
52D70.8Confident69Low62 Ų6289.4 Ų89.433%0.33247%0.471SS..Hα-helixtrans-65.8-41.4179.4-64.3-30.2000111.4H48 F49 Y50 N56H48-D52 IonicContact CE1-OD1 3.5Å; H48-D52 IonicContact CE1-OD2 2.68Å; H48-D52 IonicContact ND1-OD1 3.01Å; H48-D52 PolarHBondContact ND1-OD1 3Å; H48-D52 IonicContact ND1-OD2 3.64Å; H48-D52 PolarHBondContact ND1-OD2 3.41Å; H48-D52 WeakPolarHBondContact O-CB 3.25Å; H48-D52 PolarHBondContact O-N 3.32Å; H48-D52 VanDerWaalsContact O-OD2 3.05Å; F49-D52 PolarHBondContact O-N 2.79Å; Y50-D52 VanDerWaalsContact C-N 3.3Å; Y50-D52 PolarHBondContact O-N 2.9Å; D52-N56 VanDerWaalsContact O-CB 3.24Å; D52-N56 WeakPolarHBondContact O-CB 3.42Å; D52-N56 PolarHBondContact O-N 3.46Å; D52-N56 PolarHBondContact O-ND2 2.97Å
53K74.5Confident70.8Confident73 Ų7390 Ų9032%0.31747%0.468SS..Hα-helixtrans-62.9-50.1175.5-75.7176.5179.2174.30112.1F49 Y50 N56 I57F49-K53 HydrophobicContact CD1-CD 4.34Å; F49-K53 HydrophobicContact CE1-CD 4.32Å; F49-K53 VanDerWaalsContact CE1-NZ 3.34Å; F49-K53 WeakPolarHBondContact O-CG 3.31Å; F49-K53 PolarHBondContact O-N 3.2Å; Y50-K53 PolarHBondContact O-N 2.68Å; K53-N56 PolarHBondContact O-N 3.36Å; K53-I57 VanDerWaalsContact O-CG1 3.29Å; K53-I57 WeakPolarHBondContact O-CG1 3.47Å; K53-I57 PolarHBondContact O-N 3.05Å
54V81.9Confident72.4Confident84 Ų8485.5 Ų85.551%0.50944%0.437SS..Hα-helixtrans-64-44.2-179.8174.30000110.2Y50 S51 N56 I57 I58Y50-V54 WeakPolarHBondContact O-CG2 3.41Å; Y50-V54 PolarHBondContact O-N 2.94Å; S51-V54 PolarHBondContact O-N 3.4Å; V54-N56 PolarHBondContact O-N 3.02Å; V54-I57 PolarHBondContact O-N 3.25Å; V54-I58 HydrophobicContact CG1-CD1 3.82Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.41Å
55Y82.3Confident74.1Confident142 Ų14287.4 Ų87.456%0.55744%0.436SS*.Hα-helixtrans-58.8-46.3175.9179.4-97.7000112S51 I57 I58 L59S51-Y55 WeakPolarHBondContact O-CB 3.41Å; S51-Y55 PolarHBondContact O-N 3.05Å; Y55-I57 VanDerWaalsContact C-N 3.35Å; Y55-I57 PolarHBondContact O-N 3.01Å; Y55-I58 PolarHBondContact O-N 2.89Å; Y55-L59 HydrophobicContact CE1-CD2 4.4Å; Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 3.46Å
56N75.2Confident76.1Confident50 Ų5086.4 Ų86.427%0.26743%0.43SS..Hα-helixtrans-63.3-39.5177.4-75.7-40.1000112.3Y27 D52 K53 V54 L59 I60Y27-N56 HydrophobicContact CE1-CB 4.5Å; Y27-N56 HydrophobicContact CE2-CB 4.21Å; Y27-N56 WeakPolarHBondContact OH-CB 3.49Å; Y27-N56 PolarHBondContact OH-ND2 3.28Å; Y27-N56 VanDerWaalsContact OH-ND2 3.13Å; D52-N56 VanDerWaalsContact O-CB 3.24Å; D52-N56 WeakPolarHBondContact O-CB 3.42Å; D52-N56 PolarHBondContact O-N 3.46Å; D52-N56 PolarHBondContact O-ND2 2.97Å; K53-N56 PolarHBondContact O-N 3.36Å; V54-N56 PolarHBondContact O-N 3.02Å; N56-L59 PolarHBondContact O-N 3.42Å; N56-I60 WeakPolarHBondContact O-CB 3.4Å; N56-I60 VanDerWaalsContact O-CG1 3.26Å; N56-I60 WeakPolarHBondContact O-CG1 3.42Å; N56-I60 PolarHBondContact O-N 3.43Å
57I82.9Confident77.8Confident98 Ų9884.9 Ų84.950%0.50342%0.42SS..Hα-helixtrans-63.1-45.6174-67.6165.3000110.5K53 V54 Y55 L59 I60 T61K53-I57 VanDerWaalsContact O-CG1 3.29Å; K53-I57 WeakPolarHBondContact O-CG1 3.47Å; K53-I57 PolarHBondContact O-N 3.05Å; V54-I57 PolarHBondContact O-N 3.25Å; Y55-I57 VanDerWaalsContact C-N 3.35Å; Y55-I57 PolarHBondContact O-N 3.01Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 PolarHBondContact O-N 3.38Å; I57-I60 PolarHBondContact O-N 3.29Å; I57-T61 HydrophobicContact CG2-CG2 4.37Å; I57-T61 WeakPolarHBondContact O-CB 3.42Å; I57-T61 VanDerWaalsContact O-CG2 3.29Å; I57-T61 WeakPolarHBondContact O-CG2 3.4Å; I57-T61 PolarHBondContact O-N 3.03Å; I57-T61 PolarHBondContact O-OG1 2.97Å
58I87.4Confident79.4Confident92 Ų9280.1 Ų80.147%0.47240%0.399SS..Hα-helixtrans-60.3-41.1176-68.2167.3000110.6V54 Y55 T61 T62V54-I58 HydrophobicContact CG1-CD1 3.82Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.41Å; Y55-I58 PolarHBondContact O-N 2.89Å; I58-T61 VanDerWaalsContact CA-OG1 3.3Å; I58-T61 WeakPolarHBondContact CA-OG1 2.93Å; I58-T61 PolarHBondContact O-OG1 3.46Å; I58-T62 VanDerWaalsContact O-CB 3.25Å; I58-T62 WeakPolarHBondContact O-CB 3.23Å; I58-T62 PolarHBondContact O-N 3.49Å; I58-T62 PolarHBondContact O-OG1 2.92Å
59L84.1Confident81.4Confident90 Ų9077.4 Ų77.447%0.47140%0.396SS..Hα-helixtrans-65.3-48.4179.2-174.467.2000111.6Y55 N56 I57 T62 F63Y55-L59 HydrophobicContact CE1-CD2 4.4Å; Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 3.46Å; N56-L59 PolarHBondContact O-N 3.42Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 PolarHBondContact O-N 3.38Å; L59-T62 PolarHBondContact O-N 2.94Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.31Å
60I86.6Confident83.1Confident30 Ų3078.4 Ų78.415%0.15441%0.405CS..Hα-helixtrans-61-47.1177.9-70.4167.6000110.5L20 L23 I24 Y27 N56 I57 F63 S64L20-I60 HydrophobicContact CD1-CG2 3.99Å; L23-I60 HydrophobicContact CD2-CB 4.46Å; L23-I60 HydrophobicContact CD2-CD1 4.04Å; L23-I60 HydrophobicContact CD2-CG1 3.92Å; L23-I60 HydrophobicContact CD2-CG2 3.76Å; I24-I60 HydrophobicContact CG1-CG2 4.21Å; Y27-I60 HydrophobicContact CD1-CD1 3.95Å; Y27-I60 HydrophobicContact CD2-CD1 4.39Å; Y27-I60 HydrophobicContact CE1-CD1 4.33Å; Y27-I60 HydrophobicContact CG-CD1 3.98Å; N56-I60 WeakPolarHBondContact O-CB 3.4Å; N56-I60 VanDerWaalsContact O-CG1 3.26Å; N56-I60 WeakPolarHBondContact O-CG1 3.42Å; N56-I60 PolarHBondContact O-N 3.43Å; I57-I60 PolarHBondContact O-N 3.29Å; I60-F63 PolarHBondContact O-N 2.91Å; I60-S64 VanDerWaalsContact O-CB 3.31Å; I60-S64 WeakPolarHBondContact O-CB 3.23Å; I60-S64 PolarHBondContact O-N 3.46Å; I60-S64 PolarHBondContact O-OG 3.39Å
61T84.9Confident84.6Confident58 Ų5873 Ų7336%0.35639%0.39SS..Hα-helixtrans-61.9-46.4178.350.10000110.9I57 I58 F63 S64 H65I57-T61 HydrophobicContact CG2-CG2 4.37Å; I57-T61 WeakPolarHBondContact O-CB 3.42Å; I57-T61 VanDerWaalsContact O-CG2 3.29Å; I57-T61 WeakPolarHBondContact O-CG2 3.4Å; I57-T61 PolarHBondContact O-N 3.03Å; I57-T61 PolarHBondContact O-OG1 2.97Å; I58-T61 VanDerWaalsContact CA-OG1 3.3Å; I58-T61 WeakPolarHBondContact CA-OG1 2.93Å; I58-T61 PolarHBondContact O-OG1 3.46Å; T61-F63 PolarHBondContact O-N 2.92Å; T61-S64 PolarHBondContact O-N 3.48Å; T61-S64 PolarHBondContact O-OG 2.92Å; T61-H65 PolarHBondContact O-CD2 3.36Å; T61-H65 PolarHBondContact O-N 3.21Å
62T88.5Confident85.9Confident66 Ų6671.8 Ų71.841%0.40538%0.379SS..Hα-helixtrans-59.2-48176.9-58.10000112.1I58 L59 S64 H65 I66I58-T62 VanDerWaalsContact O-CB 3.25Å; I58-T62 WeakPolarHBondContact O-CB 3.23Å; I58-T62 PolarHBondContact O-N 3.49Å; I58-T62 PolarHBondContact O-OG1 2.92Å; L59-T62 PolarHBondContact O-N 2.94Å; T62-S64 VanDerWaalsContact C-N 3.3Å; T62-S64 PolarHBondContact O-N 2.96Å; T62-H65 PolarHBondContact O-N 2.92Å; T62-I66 HydrophobicContact CG2-CD1 3.91Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 2.79Å
63F86.9Confident87Confident117 Ų11776.1 Ų76.151%0.51339%0.392SS..Hα-helixtrans-61-41.2177.3-176.6-90.5000111.7W19 L59 I60 T61 I66 S67W19-F63 AromaticContact CH2-CD1 3.57Å; W19-F63 HydrophobicContact CH2-CD1 3.57Å; W19-F63 AromaticContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CE1 3.27Å; W19-F63 HydrophobicContact CH2-CZ 4.49Å; W19-F63 AromaticContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ2-CE1 3.94Å; W19-F63 HydrophobicContact CZ3-CD1 4.15Å; W19-F63 HydrophobicContact CZ3-CE1 4.02Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.31Å; I60-F63 PolarHBondContact O-N 2.91Å; T61-F63 PolarHBondContact O-N 2.92Å; F63-I66 PolarHBondContact O-N 3.18Å; F63-S67 WeakPolarHBondContact O-CB 3.48Å; F63-S67 PolarHBondContact O-N 3.42Å; F63-S67 PolarHBondContact O-OG 2.01Å
64S87.4Confident87.8Confident10 Ų1076.1 Ų76.17%0.0740%0.398CS..Hα-helixtrans-62.1-43177.380.50000112.1H16 I60 T61 T62 S67 L68H16-S64 PolarHBondContact CE1-O 2.89Å; H16-S64 PolarHBondContact NE2-O 3.27Å; I60-S64 VanDerWaalsContact O-CB 3.31Å; I60-S64 WeakPolarHBondContact O-CB 3.23Å; I60-S64 PolarHBondContact O-N 3.46Å; I60-S64 PolarHBondContact O-OG 3.39Å; T61-S64 PolarHBondContact O-N 3.48Å; T61-S64 PolarHBondContact O-OG 2.92Å; T62-S64 VanDerWaalsContact C-N 3.3Å; T62-S64 PolarHBondContact O-N 2.96Å; S64-S67 WeakPolarHBondContact CA-OG 3.36Å; S64-S67 PolarHBondContact O-OG 2.96Å; S64-S67 VanDerWaalsContact O-OG 3.05Å; S64-L68 WeakPolarHBondContact O-CB 3.29Å; S64-L68 PolarHBondContact O-N 3.49Å
65H89.6Confident88.2Confident128 Ų12873.1 Ų73.159%0.59338%0.381SS*.Hα-helixtrans-64.5-44.4176.3-72.9-61.8000112.6T61 T62 L68 A69T61-H65 PolarHBondContact O-CD2 3.36Å; T61-H65 PolarHBondContact O-N 3.21Å; T62-H65 PolarHBondContact O-N 2.92Å; H65-L68 PolarHBondContact O-N 3.47Å; H65-A69 WeakPolarHBondContact O-CB 3.04Å; H65-A69 PolarHBondContact O-N 3.32Å
66I92.9Very high88.7Confident94 Ų9469.5 Ų69.548%0.48237%0.37SS..Hα-helixtrans-63.6-47.1178.8-67.2165.9000110.7T62 F63 L68 A69 L70T62-I66 HydrophobicContact CG2-CD1 3.91Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 2.79Å; F63-I66 PolarHBondContact O-N 3.18Å; I66-L68 PolarHBondContact O-N 3.01Å; I66-A69 PolarHBondContact O-N 3.48Å; I66-L70 HydrophobicContact CG2-CD1 3.93Å; I66-L70 HydrophobicContact CG2-CG 4.36Å; I66-L70 WeakPolarHBondContact O-CB 3.38Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 2.93Å
67S88.5Confident89.5Confident27 Ų2773.6 Ų73.619%0.18938%0.383CS..Hα-helixtrans-65.3-37.3-179.646.30000112.6H16 F63 S64 C71H16-S67 PolarHBondContact NE2-OG 3.01Å; F63-S67 WeakPolarHBondContact O-CB 3.48Å; F63-S67 PolarHBondContact O-N 3.42Å; F63-S67 PolarHBondContact O-OG 2.01Å; S64-S67 WeakPolarHBondContact CA-OG 3.36Å; S64-S67 PolarHBondContact O-OG 2.96Å; S64-S67 VanDerWaalsContact O-OG 3.05Å; S67-C71 WeakPolarHBondContact O-CB 3.48Å; S67-C71 PolarHBondContact O-N 3.31Å
68L90.2Very high89.7Confident44 Ų4474.8 Ų74.823%0.2339%0.388CS..Hα-helixtrans-64.7-46.2172.6-178.361.3000111.4T13 H16 S64 H65 I66 L70 C71 V72T13-L68 HydrophobicContact CG2-CD1 4.14Å; H16-L68 HydrophobicContact CB-CD1 4.08Å; H16-L68 PolarHBondContact NE2-N 3.4Å; S64-L68 WeakPolarHBondContact O-CB 3.29Å; S64-L68 PolarHBondContact O-N 3.49Å; H65-L68 PolarHBondContact O-N 3.47Å; I66-L68 PolarHBondContact O-N 3.01Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.34Å; L68-C71 PolarHBondContact O-N 3.48Å; L68-V72 HydrophobicContact CD1-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.26Å; L68-V72 PolarHBondContact O-N 2.9Å
69A93.7Very high89.5Confident60 Ų6071.6 Ų71.650%0.49637%0.374SS..Hα-helixtrans-60.1-42.8178.100000111.9H65 I66 V72 Y73H65-A69 WeakPolarHBondContact O-CB 3.04Å; H65-A69 PolarHBondContact O-N 3.32Å; I66-A69 PolarHBondContact O-N 3.48Å; A69-V72 PolarHBondContact O-N 3.41Å; A69-Y73 VanDerWaalsContact O-CB 3.25Å; A69-Y73 WeakPolarHBondContact O-CB 3.3Å; A69-Y73 PolarHBondContact O-N 3.08Å
70L92.7Very high89.6Confident103 Ų10374 Ų7454%0.53939%0.386SS..Hα-helixtrans-62.4-43.3174.3-73.4172.2000111.8I66 L68 Y73 V74I66-L70 HydrophobicContact CG2-CD1 3.93Å; I66-L70 HydrophobicContact CG2-CG 4.36Å; I66-L70 WeakPolarHBondContact O-CB 3.38Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 2.93Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.34Å; L70-Y73 PolarHBondContact O-N 3.15Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.37Å; L70-V74 PolarHBondContact O-N 3.14Å
71C90.8Very high89.3Confident42 Ų4277 Ų7728%0.28441%0.41SS..Hα-helixtrans-62.6-46.3178.5-1770000111.5C12 S67 L68 Y73 V74 C75C12-C71 HydrophobicContact CB-CB 4.49Å; C12-C71 WeakPolarHBondContact CB-SG 3.39Å; C12-C71 WeakPolarHBondContact SG-CB 3.38Å; C12-C71 CovalentContact SG-SG 2.01Å; C12-C71 PolarHBondContact SG-SG 3.26Å; S67-C71 WeakPolarHBondContact O-CB 3.48Å; S67-C71 PolarHBondContact O-N 3.31Å; L68-C71 PolarHBondContact O-N 3.48Å; C71-Y73 PolarHBondContact O-N 2.88Å; C71-V74 PolarHBondContact O-N 2.99Å; C71-C75 PolarHBondContact O-N 3.29Å; C71-C75 PolarHBondContact O-SG 3.31Å
72V92.4Very high88.4Confident37 Ų3779.9 Ų79.922%0.22443%0.432CS..Hα-helixtrans-62.3-43.1174.7173.80000111.5I9 L68 A69 V74 C75 I76I9-V72 HydrophobicContact CD1-CG1 4.21Å; I9-V72 HydrophobicContact CG1-CG1 4.29Å; I9-V72 HydrophobicContact CG2-CG2 4.23Å; L68-V72 HydrophobicContact CD1-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.26Å; L68-V72 PolarHBondContact O-N 2.9Å; A69-V72 PolarHBondContact O-N 3.41Å; V72-V74 PolarHBondContact O-N 3.18Å; V72-C75 WeakPolarHBondContact O-CB 3.18Å; V72-C75 PolarHBondContact O-N 3.29Å; V72-I76 HydrophobicContact CG1-CD1 3.95Å; V72-I76 WeakPolarHBondContact O-CG1 3.25Å; V72-I76 PolarHBondContact O-N 2.76Å
73Y93.8Very high88.4Confident153 Ų15380.6 Ų80.660%0.643%0.433SS*.Hα-helixtrans-59.2-45.5177176.1-97.6000111.9A69 L70 C71 C75 I76 Y77A69-Y73 VanDerWaalsContact O-CB 3.25Å; A69-Y73 WeakPolarHBondContact O-CB 3.3Å; A69-Y73 PolarHBondContact O-N 3.08Å; L70-Y73 PolarHBondContact O-N 3.15Å; C71-Y73 PolarHBondContact O-N 2.88Å; Y73-C75 PolarHBondContact O-N 3.44Å; Y73-I76 PolarHBondContact O-N 3.27Å; Y73-Y77 WeakPolarHBondContact O-CB 3.34Å; Y73-Y77 PolarHBondContact O-N 2.91Å
74V91.2Very high88.5Confident73 Ų7378.6 Ų78.644%0.44243%0.429SS..Hα-helixtrans-62.9-41.8176.2171.70000111.2L70 C71 V72 I76 Y77 M78L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.37Å; L70-V74 PolarHBondContact O-N 3.14Å; C71-V74 PolarHBondContact O-N 2.99Å; V72-V74 PolarHBondContact O-N 3.18Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.5Å; V74-Y77 PolarHBondContact O-N 3.25Å; V74-M78 HydrophobicContact CG1-CE 4.48Å; V74-M78 HydrophobicContact CG1-CG 4.27Å; V74-M78 WeakPolarHBondContact O-CG 3.46Å; V74-M78 PolarHBondContact O-N 2.96Å
75C90.9Very high88.5Confident22 Ų2282.4 Ų82.415%0.14945%0.449CS..Hα-helixtrans-59-44.1174.9-68.40000112.1L5 I9 C71 V72 Y73 C79L5-C75 HydrophobicContact CD1-CB 4.44Å; I9-C75 HydrophobicContact CG1-CB 4.09Å; C71-C75 PolarHBondContact O-N 3.29Å; C71-C75 PolarHBondContact O-SG 3.31Å; V72-C75 WeakPolarHBondContact O-CB 3.18Å; V72-C75 PolarHBondContact O-N 3.29Å; Y73-C75 PolarHBondContact O-N 3.44Å; C75-C79 PolarHBondContact O-N 3.47Å; C75-C79 PolarHBondContact O-SG 3.1Å; C75-C79 VanDerWaalsContact O-SG 3.41Å
76I92.3Very high88.5Confident65 Ų6579.8 Ų79.833%0.33344%0.441SS..Hα-helixtrans-63.2-47.3176.9-66.7166.1000110.4L5 I9 V72 Y73 V74 M78 C79 L80L5-I76 HydrophobicContact CD1-CB 4.46Å; L5-I76 HydrophobicContact CD1-CG1 3.95Å; L5-I76 HydrophobicContact CD2-CG1 4.42Å; I9-I76 HydrophobicContact CD1-CG1 4.42Å; V72-I76 HydrophobicContact CG1-CD1 3.95Å; V72-I76 WeakPolarHBondContact O-CG1 3.25Å; V72-I76 PolarHBondContact O-N 2.76Å; Y73-I76 PolarHBondContact O-N 3.27Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.5Å; I76-M78 PolarHBondContact O-N 3.27Å; I76-C79 PolarHBondContact O-N 3.44Å; I76-L80 HydrophobicContact CG2-CD1 3.85Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.19Å
77Y92.4Very high88.2Confident137 Ų13778.9 Ų78.954%0.53744%0.438SS..Hα-helixtrans-59.9-46.9-178.5-179.1-99.4000112.3Y73 V74 C79 L80 S81Y73-Y77 WeakPolarHBondContact O-CB 3.34Å; Y73-Y77 PolarHBondContact O-N 2.91Å; V74-Y77 PolarHBondContact O-N 3.25Å; Y77-C79 VanDerWaalsContact C-N 3.33Å; Y77-C79 PolarHBondContact O-N 3.47Å; Y77-L80 PolarHBondContact O-N 2.69Å; Y77-S81 PolarHBondContact O-N 3.04Å; Y77-S81 VanDerWaalsContact O-N 3.1Å
78M86.1Confident88.2Confident122 Ų12282.3 Ų82.360%0.60146%0.455SS*.Hα-helixtrans-63.6-37.7178.7-67.6-65-178.200112.1V74 I76 L80 S81V74-M78 HydrophobicContact CG1-CE 4.48Å; V74-M78 HydrophobicContact CG1-CG 4.27Å; V74-M78 WeakPolarHBondContact O-CG 3.46Å; V74-M78 PolarHBondContact O-N 2.96Å; I76-M78 PolarHBondContact O-N 3.27Å; M78-L80 VanDerWaalsContact C-N 3.34Å; M78-S81 PolarHBondContact O-N 3.42Å
79C83.8Confident88Confident26 Ų2685.1 Ų85.118%0.17647%0.471CS..Hα-helixtrans-71.6-24.2175.9-74.10000114.2M1 L5 C75 I76 Y77 S82M1-C79 WeakPolarHBondContact CE-O 3.49Å; L5-C79 HydrophobicContact CB-CB 4.46Å; L5-C79 HydrophobicContact CD1-CB 4.05Å; C75-C79 PolarHBondContact O-N 3.47Å; C75-C79 PolarHBondContact O-SG 3.1Å; C75-C79 VanDerWaalsContact O-SG 3.41Å; I76-C79 PolarHBondContact O-N 3.44Å; Y77-C79 VanDerWaalsContact C-N 3.33Å; Y77-C79 PolarHBondContact O-N 3.47Å; C79-S82 PolarHBondContact O-OG 3.03Å
80L85.2Confident87.6Confident140 Ų14087 Ų8773%0.73347%0.469SS*.Hα-helixtrans-83.4-24.1175.7-71.1174.6000112.5I76 Y77 M78 S82I76-L80 HydrophobicContact CG2-CD1 3.85Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.19Å; Y77-L80 PolarHBondContact O-N 2.69Å; M78-L80 VanDerWaalsContact C-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.34Å
81S80.7Confident87.2Confident94 Ų9485.7 Ų85.766%0.65746%0.463SS*.Hα-helixtrans-80.5-14.9177.8-172.40000113.6Y77 M78Y77-S81 PolarHBondContact O-N 3.04Å; Y77-S81 VanDerWaalsContact O-N 3.1Å; M78-S81 PolarHBondContact O-N 3.42Å
82S66.3Low86.8Confident117 Ų11789.6 Ų89.682%0.81848%0.479SS*.  trans-94.10176.762.60000111.6M1 C79 L80M1-S82 WeakPolarHBondContact CE-OXT 3.03Å; C79-S82 PolarHBondContact O-OG 3.03Å; L80-S82 VanDerWaalsContact C-N 3.34Å

Retrieved 82 of 82 residues in 337.8 ms (Link to these results)