A0A5K4F8X5_SCHMA Loading...

Glutaredoxin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8X5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 110 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
1M57.9Low84.4Confident171 Ų17161.5 Ų61.584%0.84230%0.297SS*.  0119.70-165.4173.3-168.200107.2E5M1-E5 HydrophobicContact CE-CB 4.4Å; M1-E5 HydrophobicContact CG-CB 4.29Å
2Y80.1Confident84.9Confident173 Ų17371 Ų7168%0.67834%0.336SS*.  trans-68.7144.6179.5-68.9-86.5000109.3T4 E5 F6Y2-T4 PolarHBondContact O-N 3.3Å; Y2-E5 PolarHBondContact N-OE2 3.31Å; Y2-E5 WeakPolarHBondContact O-CB 3.46Å; Y2-E5 PolarHBondContact O-N 3.41Å; Y2-E5 VanDerWaalsContact O-N 3.07Å; Y2-F6 PolarHBondContact O-N 3.13Å; Y2-F6 VanDerWaalsContact O-N 3.09Å
3V80.8Confident85.2Confident28 Ų2874.2 Ų74.217%0.1735%0.351CS..Hα-helixtrans-55.8-36.5179.6178.20000110.9F6 I7 D57 T60 V61V3-F6 WeakPolarHBondContact O-CB 3.41Å; V3-F6 PolarHBondContact O-N 3.3Å; V3-I7 WeakPolarHBondContact O-CG1 3.4Å; V3-I7 PolarHBondContact O-N 3.39Å; V3-D57 HydrophobicContact CG1-CB 4.18Å; V3-D57 HydrophobicContact CG2-CB 3.64Å; V3-D57 WeakPolarHBondContact CG2-OD2 3.35Å; V3-T60 HydrophobicContact CB-CG2 3.68Å; V3-T60 HydrophobicContact CG1-CG2 3.88Å; V3-T60 HydrophobicContact CG2-CG2 3.73Å; V3-V61 HydrophobicContact CG1-CB 4.47Å; V3-V61 HydrophobicContact CG1-CG2 3.45Å; V3-V61 VanDerWaalsContact CG1-CG2 3.45Å
4T82.8Confident85.4Confident56 Ų5672.6 Ų72.634%0.34434%0.339SS..Hα-helixtrans-61.3-47.5176.156.20000112.2Y2 F6 I7 D8 Y64Y2-T4 PolarHBondContact O-N 3.3Å; T4-F6 VanDerWaalsContact C-N 3.28Å; T4-F6 PolarHBondContact O-N 2.75Å; T4-I7 PolarHBondContact O-N 3.16Å; T4-D8 WeakPolarHBondContact O-CB 3.42Å; T4-D8 PolarHBondContact O-N 2.97Å; T4-Y64 HydrophobicContact CG2-CD2 3.32Å; T4-Y64 HydrophobicContact CG2-CE2 3.76Å; T4-Y64 HydrophobicContact CG2-CG 4Å
5E86.2Confident85.9Confident93 Ų9371.8 Ų71.844%0.43533%0.332SS..Hα-helixtrans-61-38.5176.2-64.8171.9152.500111.6M1 Y2 D8 S9M1-E5 HydrophobicContact CE-CB 4.4Å; M1-E5 HydrophobicContact CG-CB 4.29Å; Y2-E5 PolarHBondContact N-OE2 3.31Å; Y2-E5 WeakPolarHBondContact O-CB 3.46Å; Y2-E5 PolarHBondContact O-N 3.41Å; Y2-E5 VanDerWaalsContact O-N 3.07Å; E5-D8 PolarHBondContact O-N 3.16Å; E5-S9 VanDerWaalsContact O-CB 3.27Å; E5-S9 WeakPolarHBondContact O-CB 3.27Å; E5-S9 PolarHBondContact O-N 3.43Å; E5-S9 PolarHBondContact O-OG 2.83Å
6F88.2Confident86.4Confident44 Ų4467.3 Ų67.319%0.19331%0.311CS..Hα-helixtrans-63.3-50.2176.9175-95.1000111.3Y2 V3 T4 D8 S9 K10 L50 R55Y2-F6 PolarHBondContact O-N 3.13Å; Y2-F6 VanDerWaalsContact O-N 3.09Å; V3-F6 WeakPolarHBondContact O-CB 3.41Å; V3-F6 PolarHBondContact O-N 3.3Å; T4-F6 VanDerWaalsContact C-N 3.28Å; T4-F6 PolarHBondContact O-N 2.75Å; F6-D8 VanDerWaalsContact C-N 3.33Å; F6-D8 PolarHBondContact O-N 3.47Å; F6-S9 PolarHBondContact O-N 3.44Å; F6-S9 PolarHBondContact O-OG 2.97Å; F6-K10 HydrophobicContact CE1-CG 4.08Å; F6-K10 HydrophobicContact CE2-CG 4.44Å; F6-K10 HydrophobicContact CZ-CD 4.47Å; F6-K10 HydrophobicContact CZ-CG 4.01Å; F6-K10 WeakPolarHBondContact O-CG 3.48Å; F6-K10 PolarHBondContact O-N 3.43Å; F6-L50 HydrophobicContact CE1-CD1 4.23Å; F6-L50 HydrophobicContact CE1-CD2 4.33Å; F6-L50 HydrophobicContact CZ-CD1 4.47Å; F6-R55 VanDerWaalsContact CE1-CZ 3.4Å
7I88.7Confident86.9Confident0 Ų063.4 Ų63.40%029%0.293CS..Hα-helixtrans-63.7-41.1178.6-60-62.7000110.9V3 T4 S9 K10 I11 I19 L50 V61 Y64V3-I7 WeakPolarHBondContact O-CG1 3.4Å; V3-I7 PolarHBondContact O-N 3.39Å; T4-I7 PolarHBondContact O-N 3.16Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.12Å; I7-K10 WeakPolarHBondContact O-CB 3.36Å; I7-K10 PolarHBondContact O-N 2.73Å; I7-K10 VanDerWaalsContact O-N 3.17Å; I7-I11 HydrophobicContact CG2-CD1 3.77Å; I7-I11 HydrophobicContact CG2-CG1 4.32Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 2.98Å; I7-I19 HydrophobicContact CG2-CD1 4.03Å; I7-L50 HydrophobicContact CD1-CD2 3.57Å; I7-V61 HydrophobicContact CD1-CB 4.44Å; I7-V61 HydrophobicContact CD1-CG1 3.69Å; I7-V61 HydrophobicContact CD1-CG2 3.84Å; I7-V61 HydrophobicContact CG1-CG1 3.96Å; I7-V61 HydrophobicContact CG1-CG2 4Å; I7-Y64 HydrophobicContact CB-CD1 3.98Å; I7-Y64 HydrophobicContact CB-CE1 3.77Å; I7-Y64 HydrophobicContact CG1-CD1 4.24Å; I7-Y64 HydrophobicContact CG2-CD1 3.89Å; I7-Y64 HydrophobicContact CG2-CE1 3.54Å
8D90Very high87.3Confident45 Ų4559.9 Ų59.924%0.24128%0.277CS..Hα-helixtrans-64.5-38.2176-78.3-19.3000113T4 E5 F6 K10 I11 K12 Y64 K68T4-D8 WeakPolarHBondContact O-CB 3.42Å; T4-D8 PolarHBondContact O-N 2.97Å; E5-D8 PolarHBondContact O-N 3.16Å; F6-D8 VanDerWaalsContact C-N 3.33Å; F6-D8 PolarHBondContact O-N 3.47Å; D8-K10 VanDerWaalsContact C-N 3.28Å; D8-K10 PolarHBondContact O-N 2.83Å; D8-I11 PolarHBondContact O-N 3.37Å; D8-K12 WeakPolarHBondContact O-CB 3.38Å; D8-K12 VanDerWaalsContact O-CG 3.3Å; D8-K12 WeakPolarHBondContact O-CG 3.21Å; D8-K12 PolarHBondContact O-N 3.32Å; D8-Y64 PolarHBondContact OD1-OH 2.87Å; D8-Y64 PolarHBondContact OD2-OH 3.49Å; D8-K68 IonicContact OD1-NZ 3.89Å; D8-K68 PolarHBondContact OD1-NZ 2.94Å; D8-K68 IonicContact OD2-NZ 3.27Å
9S91.3Very high87.7Confident27 Ų2756.7 Ų56.719%0.18926%0.262CS..Hα-helixtrans-61-41.4173.877.80000110.8E5 F6 I7 K12 Q13E5-S9 VanDerWaalsContact O-CB 3.27Å; E5-S9 WeakPolarHBondContact O-CB 3.27Å; E5-S9 PolarHBondContact O-N 3.43Å; E5-S9 PolarHBondContact O-OG 2.83Å; F6-S9 PolarHBondContact O-N 3.44Å; F6-S9 PolarHBondContact O-OG 2.97Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.12Å; S9-K12 PolarHBondContact O-N 3.1Å; S9-Q13 VanDerWaalsContact O-CB 3.23Å; S9-Q13 WeakPolarHBondContact O-CB 3.4Å; S9-Q13 WeakPolarHBondContact O-CG 3.31Å; S9-Q13 PolarHBondContact O-N 3.25Å
10K91.1Very high88Confident32 Ų3254.1 Ų54.114%0.13925%0.251CS..Hα-helixtrans-66.7-43.1177.5-72.4-68.4-173168.40112.3F6 I7 D8 K12 Q13 R14 L17 E48 L50F6-K10 HydrophobicContact CE1-CG 4.08Å; F6-K10 HydrophobicContact CE2-CG 4.44Å; F6-K10 HydrophobicContact CZ-CD 4.47Å; F6-K10 HydrophobicContact CZ-CG 4.01Å; F6-K10 WeakPolarHBondContact O-CG 3.48Å; F6-K10 PolarHBondContact O-N 3.43Å; I7-K10 WeakPolarHBondContact O-CB 3.36Å; I7-K10 PolarHBondContact O-N 2.73Å; I7-K10 VanDerWaalsContact O-N 3.17Å; D8-K10 VanDerWaalsContact C-N 3.28Å; D8-K10 PolarHBondContact O-N 2.83Å; K10-K12 VanDerWaalsContact C-N 3.25Å; K10-K12 PolarHBondContact O-N 3.05Å; K10-Q13 PolarHBondContact O-N 2.87Å; K10-R14 PolarHBondContact O-N 3.23Å; K10-L17 HydrophobicContact CB-CD1 4.37Å; K10-L17 HydrophobicContact CB-CD2 3.89Å; K10-E48 IonicContact NZ-OE1 3.22Å; K10-E48 PolarHBondContact NZ-OE1 3.5Å; K10-E48 IonicContact NZ-OE2 2.69Å; K10-E48 PolarHBondContact NZ-OE2 3.07Å; K10-L50 HydrophobicContact CG-CD2 4.44Å
11I91.2Very high88.1Confident7 Ų753.9 Ų53.94%0.03625%0.249CC..Hα-helixtrans-62.1-34.5176.4-70.5169.9000111.1I7 D8 L17 K68 F80I7-I11 HydrophobicContact CG2-CD1 3.77Å; I7-I11 HydrophobicContact CG2-CG1 4.32Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 2.98Å; D8-I11 PolarHBondContact O-N 3.37Å; I11-L17 HydrophobicContact CB-CD2 4.42Å; I11-L17 HydrophobicContact CG1-CD2 3.58Å; I11-K68 HydrophobicContact CD1-CD 4.23Å; I11-F80 HydrophobicContact CD1-CD1 3.99Å; I11-F80 HydrophobicContact CD1-CD2 4.47Å; I11-F80 HydrophobicContact CD1-CE1 3.75Å; I11-F80 HydrophobicContact CD1-CE2 4.28Å; I11-F80 HydrophobicContact CD1-CG 4.34Å; I11-F80 HydrophobicContact CD1-CZ 3.91Å; I11-F80 HydrophobicContact CG1-CD1 4.19Å; I11-F80 HydrophobicContact CG1-CD2 4.39Å; I11-F80 HydrophobicContact CG1-CE1 4.44Å; I11-F80 HydrophobicContact CG1-CG 4.17Å; I11-F80 HydrophobicContact CG2-CD1 4.13Å
12K90.4Very high89.5Confident176 Ų17652.8 Ų52.877%0.76524%0.24SC*.Hα-helixtrans-81-33.9177.4-71.2176.1-178.3-1800113.8D8 S9 K10D8-K12 WeakPolarHBondContact O-CB 3.38Å; D8-K12 VanDerWaalsContact O-CG 3.3Å; D8-K12 WeakPolarHBondContact O-CG 3.21Å; D8-K12 PolarHBondContact O-N 3.32Å; S9-K12 PolarHBondContact O-N 3.1Å; K10-K12 VanDerWaalsContact C-N 3.25Å; K10-K12 PolarHBondContact O-N 3.05Å
13Q89.3Confident89.8Confident113 Ų11350 Ų5053%0.52824%0.237SC..Hα-helixtrans-79.3-17.8-176-79175.53.300114S9 K10S9-Q13 VanDerWaalsContact O-CB 3.23Å; S9-Q13 WeakPolarHBondContact O-CB 3.4Å; S9-Q13 WeakPolarHBondContact O-CG 3.31Å; S9-Q13 PolarHBondContact O-N 3.25Å; K10-Q13 PolarHBondContact O-N 2.87Å
14R88.4Confident90.1Very high51 Ų5150 Ų5019%0.19224%0.238CC..  trans-121.5135-175.3-60.8-63.5179.9-100.6-5.5109.7K10 V16 L17 N45 E48K10-R14 PolarHBondContact O-N 3.23Å; R14-V16 VanDerWaalsContact C-N 3.34Å; R14-L17 HydrophobicContact CB-CB 4.37Å; R14-L17 HydrophobicContact CG-CD1 4.48Å; R14-N45 WeakPolarHBondContact CD-O 3.38Å; R14-E48 HydrophobicContact CG-CB 3.84Å; R14-E48 IonicContact CZ-OE2 2.92Å; R14-E48 IonicContact NE-OE2 3.04Å; R14-E48 PolarHBondContact NE-OE2 3.02Å; R14-E48 IonicContact NH2-OE2 2.63Å; R14-E48 PolarHBondContact NH2-OE2 3.44Å
15R91.8Very high90.6Very high61 Ų6151.2 Ų51.223%0.2325%0.246CC..SBendtrans-65-44.7173.3-60.7-156.864.4-158.5-2.3110.1N46 L81 D82 A108 G109 L110R15-N46 HydrophobicContact CB-CB 4.41Å; R15-N46 WeakPolarHBondContact CD-OD1 3.41Å; R15-N46 PolarHBondContact N-O 3.08Å; R15-L81 CarbonylContact O-C 3.53Å; R15-L81 WeakPolarHBondContact O-CA 3.13Å; R15-D82 IonicContact CZ-OD1 2.91Å; R15-D82 IonicContact CZ-OD2 2.88Å; R15-D82 IonicContact NE-OD1 3.2Å; R15-D82 PolarHBondContact NE-OD1 3.29Å; R15-D82 IonicContact NE-OD2 2.7Å; R15-D82 IonicContact NH2-OD1 2.68Å; R15-D82 PolarHBondContact NH2-OD1 2.52Å; R15-D82 IonicContact NH2-OD2 3.94Å; R15-D82 PolarHBondContact NH2-OD2 3.45Å; R15-D82 PolarHBondContact O-N 3.13Å; R15-A108 PolarHBondContact NH1-O 3.14Å; R15-A108 PolarHBondContact NH2-O 2.97Å; R15-G109 PolarHBondContact NH1-O 3.38Å; R15-L110 HydrophobicContact CB-CD2 4.19Å
16V94.4Very high90.9Very high0 Ų049.5 Ų49.50%024%0.242CC..EExtended strand (participates in β ladder)trans-122.9118.1176.9-168.90000109.5R14 L39 N46 F47 E48 L79 F80 L81 F105 L110R14-V16 VanDerWaalsContact C-N 3.34Å; V16-L39 HydrophobicContact CB-CD1 4.24Å; V16-L39 HydrophobicContact CG1-CD1 3.99Å; V16-L39 HydrophobicContact CG2-CD1 4.16Å; V16-N46 PolarHBondContact N-O 2.83Å; V16-F47 HydrophobicContact CB-CB 4.2Å; V16-F47 HydrophobicContact CB-CD2 3.89Å; V16-F47 HydrophobicContact CG1-CD2 3.64Å; V16-F47 HydrophobicContact CG1-CE2 4.22Å; V16-F47 VanDerWaalsContact O-CA 3.28Å; V16-F47 WeakPolarHBondContact O-CA 3.48Å; V16-E48 PolarHBondContact O-N 3.12Å; V16-L79 HydrophobicContact CG1-CD1 3.54Å; V16-F80 VanDerWaalsContact CA-O 3.31Å; V16-F80 WeakPolarHBondContact CA-O 3.38Å; V16-L81 HydrophobicContact CG2-CD1 3.75Å; V16-F105 HydrophobicContact CG1-CE1 4.2Å; V16-F105 HydrophobicContact CG1-CZ 4.43Å; V16-F105 HydrophobicContact CG2-CD1 4.44Å; V16-F105 HydrophobicContact CG2-CE1 3.93Å; V16-L110 HydrophobicContact CG2-CD1 3.34Å
17L94.8Very high91.1Very high1 Ų147.5 Ų47.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-121.4119.6176.1-176.273.9000109.8K10 I11 R14 I19 E48 L50 L79 F80K10-L17 HydrophobicContact CB-CD1 4.37Å; K10-L17 HydrophobicContact CB-CD2 3.89Å; I11-L17 HydrophobicContact CB-CD2 4.42Å; I11-L17 HydrophobicContact CG1-CD2 3.58Å; R14-L17 HydrophobicContact CB-CB 4.37Å; R14-L17 HydrophobicContact CG-CD1 4.48Å; L17-I19 HydrophobicContact CD2-CD1 4.34Å; L17-I19 HydrophobicContact CD2-CG1 4.1Å; L17-I19 HydrophobicContact CG-CG1 4.29Å; L17-E48 HydrophobicContact CD1-CB 4.08Å; L17-E48 HydrophobicContact CD1-CG 4.36Å; L17-L50 HydrophobicContact CD1-CB 3.98Å; L17-L79 WeakPolarHBondContact O-CA 3.45Å; L17-F80 HydrophobicContact CB-CB 4.29Å; L17-F80 PolarHBondContact N-O 3.25Å; L17-F80 PolarHBondContact O-N 3.15Å
18L95Very high91.3Very high0 Ų053.7 Ų53.70%026%0.257CS..EExtended strand (participates in β ladder)trans-101.2115.2169.4176.369.5000109I30 E31 L34 F47 E48 V49 L50 P77 L79L18-I30 HydrophobicContact CD1-CG2 3.8Å; L18-I30 HydrophobicContact CD2-CG2 4.24Å; L18-E31 HydrophobicContact CD2-CB 4.02Å; L18-L34 HydrophobicContact CB-CD1 3.99Å; L18-L34 HydrophobicContact CD1-CD1 4.02Å; L18-L34 HydrophobicContact CD2-CD1 3.83Å; L18-L34 HydrophobicContact CG-CD1 4.14Å; L18-F47 HydrophobicContact CB-CE2 3.88Å; L18-F47 HydrophobicContact CB-CZ 4.41Å; L18-E48 PolarHBondContact N-O 3.31Å; L18-V49 HydrophobicContact CB-CG2 4.44Å; L18-V49 HydrophobicContact CD2-CG1 4.11Å; L18-V49 HydrophobicContact CD2-CG2 4.22Å; L18-V49 HydrophobicContact CG-CG1 4.5Å; L18-V49 CarbonylContact O-C 3.5Å; L18-V49 WeakPolarHBondContact O-CA 3.28Å; L18-L50 PolarHBondContact O-N 2.89Å; L18-P77 HydrophobicContact CD1-CB 3.72Å; L18-L79 HydrophobicContact CB-CD1 4.34Å
19I93.5Very high91.5Very high0 Ų054.9 Ų54.90%027%0.266CS..EExtended strand (participates in β ladder)trans-88.5121.5170.5-55.8179.2000108.2I7 L17 L50 I52 L65 V76 P77 H78 F80I7-I19 HydrophobicContact CG2-CD1 4.03Å; L17-I19 HydrophobicContact CD2-CD1 4.34Å; L17-I19 HydrophobicContact CD2-CG1 4.1Å; L17-I19 HydrophobicContact CG-CG1 4.29Å; I19-L50 HydrophobicContact CG1-CD2 4.37Å; I19-I52 HydrophobicContact CG2-CD1 4.2Å; I19-I52 HydrophobicContact CG2-CG1 4.35Å; I19-I52 HydrophobicContact CG2-CG2 3.57Å; I19-L65 HydrophobicContact CD1-CD2 3.88Å; I19-L65 HydrophobicContact CG2-CD1 4.21Å; I19-V76 HydrophobicContact CG2-CG1 4.01Å; I19-P77 VanDerWaalsContact O-CA 3.32Å; I19-P77 WeakPolarHBondContact O-CA 3.44Å; I19-H78 PolarHBondContact N-O 3.18Å; I19-H78 PolarHBondContact O-N 3.14Å; I19-F80 HydrophobicContact CD1-CD2 4.33Å; I19-F80 HydrophobicContact CD1-CE2 3.76Å; I19-F80 HydrophobicContact CG1-CE2 4.36Å
20S93.8Very high91.6Very high4 Ų453.6 Ų53.63%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-142.4169.5-170.176.30000113.7V49 L50 C51 I52S20-V49 WeakPolarHBondContact OG-CG1 3.35Å; S20-L50 PolarHBondContact N-O 3.34Å; S20-C51 WeakPolarHBondContact O-CA 3.46Å; S20-I52 WeakPolarHBondContact O-CG1 3.16Å; S20-I52 PolarHBondContact O-N 3.45Å
21K91.3Very high91.8Very high50 Ų5054.4 Ų54.422%0.21726%0.261CS..  trans-123.6135.6168.5-75177.8-176.8-171.20109.2N23 S24 C27 I52 E53 E62 V76K21-N23 PolarHBondContact O-N 2.78Å; K21-S24 PolarHBondContact O-N 2.9Å; K21-C27 PolarHBondContact N-SG 3.25Å; K21-C27 VanDerWaalsContact N-SG 3.39Å; K21-C27 VanDerWaalsContact O-CB 3.23Å; K21-C27 WeakPolarHBondContact O-CB 3.29Å; K21-I52 HydrophobicContact CG-CG1 3.97Å; K21-E53 HydrophobicContact CB-CB 4.08Å; K21-E53 HydrophobicContact CG-CB 3.93Å; K21-E53 HydrophobicContact CG-CG 4.5Å; K21-E62 WeakPolarHBondContact CE-OE1 3.44Å; K21-E62 IonicContact NZ-OE1 2.74Å; K21-E62 PolarHBondContact NZ-OE1 3.39Å; K21-V76 HydrophobicContact CB-CG2 3.92Å; K21-V76 HydrophobicContact CD-CG2 3.74Å; K21-V76 HydrophobicContact CG-CG2 3.59Å
22K87.1Confident91.9Very high148 Ų14855.8 Ų55.864%0.64328%0.277SS*.THydrogen-bonded Turntrans-64.5-38.8-174.8-173.4176.9179.6-178.90112.3S24 R28 E53K22-S24 VanDerWaalsContact C-N 3.31Å; K22-S24 PolarHBondContact O-N 3.05Å; K22-R28 PolarHBondContact O-NH1 3.47Å; K22-E53 WeakPolarHBondContact CA-OE2 3.27Å; K22-E53 PolarHBondContact N-OE2 3.37Å
23N85.6Confident92Very high115 Ų11548.5 Ų48.562%0.61525%0.246SC*.THydrogen-bonded Turntrans-80.2-9.4-177.8-67-29.7000113.4K21 P25 R28 E53K21-N23 PolarHBondContact O-N 2.78Å; N23-P25 WeakPolarHBondContact O-CD 3.47Å; N23-R28 PolarHBondContact O-NH1 3.26Å; N23-E53 VanDerWaalsContact CB-OE1 3.24Å; N23-E53 WeakPolarHBondContact CB-OE1 3.31Å; N23-E53 VanDerWaalsContact CG-OE1 3.27Å; N23-E53 PolarHBondContact N-OE2 2.92Å; N23-E53 PolarHBondContact ND2-OE1 3.41Å
24S88.1Confident92.2Very high27 Ų2743.1 Ų43.119%0.18922%0.221CC..  trans-79.8117.7176.7173.90000111.4K21 K22 V26 C27 R28K21-S24 PolarHBondContact O-N 2.9Å; K22-S24 VanDerWaalsContact C-N 3.31Å; K22-S24 PolarHBondContact O-N 3.05Å; S24-V26 PolarHBondContact O-N 3.46Å; S24-C27 WeakPolarHBondContact O-CB 3.29Å; S24-C27 PolarHBondContact O-N 3.36Å; S24-C27 PolarHBondContact OG-N 2.89Å; S24-R28 PolarHBondContact O-N 2.65Å
25P91.7Very high92.4Very high81 Ų8147.5 Ų47.553%0.52624%0.238SC..Hα-helixtrans-57-39.3175.3-22.433000112.5N23 C27 R28 T29N23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-C27 VanDerWaalsContact C-N 3.34Å; P25-C27 PolarHBondContact O-N 3.21Å; P25-R28 PolarHBondContact O-N 3.22Å; P25-R28 VanDerWaalsContact O-N 3.16Å; P25-T29 PolarHBondContact O-N 2.76Å; P25-T29 PolarHBondContact O-OG1 2.83Å
26V92.9Very high92.4Very high57 Ų5748.6 Ų48.635%0.34525%0.251SS..Hα-helixtrans-60.1-44.3178.5-174.90000110.9S24 R28 T29 I30 P77 E89S24-V26 PolarHBondContact O-N 3.46Å; V26-R28 VanDerWaalsContact C-N 3.34Å; V26-R28 PolarHBondContact O-N 3.34Å; V26-T29 PolarHBondContact O-N 2.88Å; V26-I30 WeakPolarHBondContact O-CG1 3.45Å; V26-I30 PolarHBondContact O-N 3.45Å; V26-P77 HydrophobicContact CG1-CG 4.35Å; V26-E89 HydrophobicContact CG1-CB 3.52Å; V26-E89 HydrophobicContact CG1-CG 3.36Å
27C93Very high92.3Very high2 Ų249.8 Ų49.81%0.01426%0.256CS..Hα-helixtrans-61.8-40.8176.2-74.40000112.3K21 S24 P25 I30 E31K21-C27 PolarHBondContact N-SG 3.25Å; K21-C27 VanDerWaalsContact N-SG 3.39Å; K21-C27 VanDerWaalsContact O-CB 3.23Å; K21-C27 WeakPolarHBondContact O-CB 3.29Å; S24-C27 WeakPolarHBondContact O-CB 3.29Å; S24-C27 PolarHBondContact O-N 3.36Å; S24-C27 PolarHBondContact OG-N 2.89Å; P25-C27 VanDerWaalsContact C-N 3.34Å; P25-C27 PolarHBondContact O-N 3.21Å; C27-I30 PolarHBondContact O-N 2.63Å; C27-E31 VanDerWaalsContact O-CB 3.3Å; C27-E31 WeakPolarHBondContact O-CB 3.38Å; C27-E31 PolarHBondContact O-N 3.21Å
28R92.7Very high92Very high131 Ų13154.7 Ų54.749%0.49428%0.282SS..Hα-helixtrans-64.7-40.6177.8-66-169-63.5-87.55.1112K22 N23 S24 P25 V26 G32K22-R28 PolarHBondContact O-NH1 3.47Å; N23-R28 PolarHBondContact O-NH1 3.26Å; S24-R28 PolarHBondContact O-N 2.65Å; P25-R28 PolarHBondContact O-N 3.22Å; P25-R28 VanDerWaalsContact O-N 3.16Å; V26-R28 VanDerWaalsContact C-N 3.34Å; V26-R28 PolarHBondContact O-N 3.34Å; R28-G32 PolarHBondContact O-N 2.86Å
29T93.8Very high91.7Very high70 Ų7054.8 Ų54.843%0.42928%0.283SS..Hα-helixtrans-61.3-49.2175.2-58.20000111.2P25 V26 G32 I33P25-T29 PolarHBondContact O-N 2.76Å; P25-T29 PolarHBondContact O-OG1 2.83Å; V26-T29 PolarHBondContact O-N 2.88Å; T29-G32 PolarHBondContact O-N 3.19Å; T29-I33 HydrophobicContact CG2-CD1 4.19Å; T29-I33 WeakPolarHBondContact O-CG1 3.25Å; T29-I33 PolarHBondContact O-N 3.23Å
30I94.6Very high91.4Very high0 Ų058 Ų580%030%0.3CS..Hα-helixtrans-64.7-42.5179.4-68.2-49.8000112L18 V26 C27 G32 I33 L34 P77 E89 I92 K93L18-I30 HydrophobicContact CD1-CG2 3.8Å; L18-I30 HydrophobicContact CD2-CG2 4.24Å; V26-I30 WeakPolarHBondContact O-CG1 3.45Å; V26-I30 PolarHBondContact O-N 3.45Å; C27-I30 PolarHBondContact O-N 2.63Å; I30-G32 VanDerWaalsContact C-N 3.3Å; I30-G32 PolarHBondContact O-N 2.64Å; I30-I33 HydrophobicContact CD1-CD1 4.09Å; I30-I33 PolarHBondContact O-N 3.38Å; I30-L34 HydrophobicContact CG2-CD1 4.1Å; I30-L34 HydrophobicContact CG2-CG 4.45Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 3.12Å; I30-P77 HydrophobicContact CB-CB 4.44Å; I30-P77 HydrophobicContact CB-CG 4.06Å; I30-P77 HydrophobicContact CG1-CG 3.68Å; I30-P77 HydrophobicContact CG2-CB 4.26Å; I30-P77 HydrophobicContact CG2-CG 4.25Å; I30-E89 HydrophobicContact CD1-CB 4.36Å; I30-E89 HydrophobicContact CD1-CG 3.82Å; I30-E89 HydrophobicContact CG1-CB 4.12Å; I30-E89 HydrophobicContact CG1-CG 3.9Å; I30-I92 HydrophobicContact CD1-CB 4.01Å; I30-I92 HydrophobicContact CD1-CG2 3.88Å; I30-I92 HydrophobicContact CG2-CD1 3.64Å; I30-I92 HydrophobicContact CG2-CG2 4.06Å; I30-K93 HydrophobicContact CD1-CG 3.95Å
31E93.9Very high91Very high49 Ų4966.2 Ų66.223%0.22934%0.335CS..Hα-helixtrans-58.7-44.1174-178.1179.2157.600111.2L18 C27 L34 R35 V49L18-E31 HydrophobicContact CD2-CB 4.02Å; C27-E31 VanDerWaalsContact O-CB 3.3Å; C27-E31 WeakPolarHBondContact O-CB 3.38Å; C27-E31 PolarHBondContact O-N 3.21Å; E31-L34 PolarHBondContact O-N 3.44Å; E31-R35 HydrophobicContact CG-CG 4.46Å; E31-R35 WeakPolarHBondContact O-CB 3.43Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 3.36Å; E31-R35 IonicContact OE1-CZ 2.57Å; E31-R35 IonicContact OE1-NE 3.47Å; E31-R35 PolarHBondContact OE1-NE 3.32Å; E31-R35 IonicContact OE1-NH2 3.59Å; E31-R35 PolarHBondContact OE1-NH2 3.29Å; E31-V49 HydrophobicContact CG-CG2 4.06Å
32G93.3Very high90.4Very high36 Ų3671.2 Ų71.237%0.37136%0.359SS..Hα-helixtrans-57.6-48.6174.800000112.2R28 T29 I30 L34 R35 T36R28-G32 PolarHBondContact O-N 2.86Å; T29-G32 PolarHBondContact O-N 3.19Å; I30-G32 VanDerWaalsContact C-N 3.3Å; I30-G32 PolarHBondContact O-N 2.64Å; G32-L34 PolarHBondContact O-N 3.21Å; G32-R35 PolarHBondContact O-N 3.34Å; G32-T36 WeakPolarHBondContact O-CG2 2.99Å; G32-T36 PolarHBondContact O-N 3.15Å
33I93.7Very high90.1Very high23 Ų2369.7 Ų69.712%0.11835%0.354CS..Hα-helixtrans-55.9-50.9175.4-70.9167.2000110.7T29 I30 R35 T36 Y37 K93 H96T29-I33 HydrophobicContact CG2-CD1 4.19Å; T29-I33 WeakPolarHBondContact O-CG1 3.25Å; T29-I33 PolarHBondContact O-N 3.23Å; I30-I33 HydrophobicContact CD1-CD1 4.09Å; I30-I33 PolarHBondContact O-N 3.38Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 2.74Å; I33-T36 WeakPolarHBondContact O-CB 3.29Å; I33-T36 PolarHBondContact O-N 3.04Å; I33-T36 VanDerWaalsContact O-N 3.12Å; I33-T36 PolarHBondContact O-OG1 2.85Å; I33-Y37 HydrophobicContact CG2-CE2 3.98Å; I33-Y37 VanDerWaalsContact O-CD2 3.25Å; I33-Y37 WeakPolarHBondContact O-CD2 3.27Å; I33-K93 HydrophobicContact CD1-CG 4.41Å; I33-H96 HydrophobicContact CG2-CB 3.94Å; I33-H96 WeakPolarHBondContact CG2-ND1 3.27Å
34L92.9Very high89.9Confident0 Ų067.6 Ų67.60%035%0.353CS..Hα-helixtrans-63.9-36.1-178.2-70.4175.6000112.8L18 I30 E31 G32 T36 Y37 F47 L79 M101 F105L18-L34 HydrophobicContact CB-CD1 3.99Å; L18-L34 HydrophobicContact CD1-CD1 4.02Å; L18-L34 HydrophobicContact CD2-CD1 3.83Å; L18-L34 HydrophobicContact CG-CD1 4.14Å; I30-L34 HydrophobicContact CG2-CD1 4.1Å; I30-L34 HydrophobicContact CG2-CG 4.45Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 3.12Å; E31-L34 PolarHBondContact O-N 3.44Å; G32-L34 PolarHBondContact O-N 3.21Å; L34-T36 PolarHBondContact O-N 3.46Å; L34-Y37 PolarHBondContact O-N 2.85Å; L34-F47 HydrophobicContact CB-CE1 4.32Å; L34-F47 HydrophobicContact CB-CE2 4.21Å; L34-F47 HydrophobicContact CB-CZ 3.75Å; L34-F47 HydrophobicContact CD1-CE2 3.83Å; L34-F47 HydrophobicContact CD1-CZ 3.98Å; L34-L79 HydrophobicContact CD1-CD1 3.79Å; L34-L79 HydrophobicContact CD2-CD1 4.39Å; L34-L79 HydrophobicContact CD2-CD2 4.16Å; L34-M101 HydrophobicContact CD2-CE 3.56Å; L34-F105 HydrophobicContact CD2-CE2 4.08Å; L34-F105 HydrophobicContact CD2-CZ 3.77Å
35R91.5Very high89.7Confident143 Ų14371.5 Ų71.554%0.5437%0.372SS..Hα-helixtrans-63.3-29175.5-74.6178.4-177.8-73.6-0.6112.6E31 G32 I33 Y37 N38 F47E31-R35 HydrophobicContact CG-CG 4.46Å; E31-R35 WeakPolarHBondContact O-CB 3.43Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 3.36Å; E31-R35 IonicContact OE1-CZ 2.57Å; E31-R35 IonicContact OE1-NE 3.47Å; E31-R35 PolarHBondContact OE1-NE 3.32Å; E31-R35 IonicContact OE1-NH2 3.59Å; E31-R35 PolarHBondContact OE1-NH2 3.29Å; G32-R35 PolarHBondContact O-N 3.34Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 2.74Å; R35-Y37 PolarHBondContact O-N 2.83Å; R35-N38 PolarHBondContact O-N 3.38Å; R35-N38 PolarHBondContact O-OD1 3.43Å; R35-F47 HydrophobicContact CG-CE1 4.42Å
36T92.4Very high89.6Confident84 Ų8467.8 Ų67.852%0.51535%0.348SS..THydrogen-bonded Turntrans-64.9-20.8176.572.70000114G32 I33 L34 N38G32-T36 WeakPolarHBondContact O-CG2 2.99Å; G32-T36 PolarHBondContact O-N 3.15Å; I33-T36 WeakPolarHBondContact O-CB 3.29Å; I33-T36 PolarHBondContact O-N 3.04Å; I33-T36 VanDerWaalsContact O-N 3.12Å; I33-T36 PolarHBondContact O-OG1 2.85Å; L34-T36 PolarHBondContact O-N 3.46Å; T36-N38 VanDerWaalsContact C-N 3.33Å
37Y91.7Very high89.6Confident25 Ų2566.1 Ų66.110%0.09834%0.336CS..THydrogen-bonded Turntrans-81.3-10.8179.7-69.2-83000113.7I33 L34 R35 L39 H96 M101 R102 F105I33-Y37 HydrophobicContact CG2-CE2 3.98Å; I33-Y37 VanDerWaalsContact O-CD2 3.25Å; I33-Y37 WeakPolarHBondContact O-CD2 3.27Å; L34-Y37 PolarHBondContact O-N 2.85Å; R35-Y37 PolarHBondContact O-N 2.83Å; Y37-L39 VanDerWaalsContact C-N 3.26Å; Y37-L39 PolarHBondContact O-N 2.95Å; Y37-H96 AromaticContact CE2-ND1 3.76Å; Y37-H96 AromaticContact CZ-ND1 3.6Å; Y37-H96 PolarHBondContact OH-ND1 2.75Å; Y37-M101 HydrophobicContact CE1-CG 4.4Å; Y37-M101 HydrophobicContact CE2-CG 4.06Å; Y37-M101 WeakPolarHBondContact OH-CB 3.44Å; Y37-R102 HydrophobicContact CE1-CB 3.88Å; Y37-R102 HydrophobicContact CE1-CG 4.34Å; Y37-F105 AromaticContact CD1-CD2 3.69Å; Y37-F105 HydrophobicContact CD1-CD2 3.69Å; Y37-F105 HydrophobicContact CD1-CE2 4.12Å; Y37-F105 HydrophobicContact CD2-CD2 4.24Å; Y37-F105 AromaticContact CD2-CE2 3.81Å; Y37-F105 HydrophobicContact CD2-CE2 3.81Å; Y37-F105 HydrophobicContact CE1-CD2 4.14Å; Y37-F105 HydrophobicContact CE1-CE2 4.48Å; Y37-F105 HydrophobicContact CE2-CE2 4.19Å; Y37-F105 AromaticContact CG-CD2 3.74Å; Y37-F105 HydrophobicContact CG-CD2 3.74Å; Y37-F105 AromaticContact CG-CE2 3.77Å; Y37-F105 HydrophobicContact CG-CE2 3.77Å
38N89Confident89.6Confident103 Ų10367.9 Ų67.955%0.55134%0.344SS*.THydrogen-bonded Turntrans51.142.1-179.2-67-22.9000113.7R35 T36 N40 K41R35-N38 PolarHBondContact O-N 3.38Å; R35-N38 PolarHBondContact O-OD1 3.43Å; T36-N38 VanDerWaalsContact C-N 3.33Å; N38-N40 PolarHBondContact O-N 3Å; N38-K41 HydrophobicContact CB-CB 4.26Å; N38-K41 WeakPolarHBondContact O-CB 3.41Å; N38-K41 PolarHBondContact O-N 2.96Å
39L89.7Confident89.6Confident3 Ų363.4 Ų63.42%0.01633%0.331CS..THydrogen-bonded Turntrans-57.4-18-173.1-59.5170.3000115.7V16 Y37 N46 F47 F105 L110V16-L39 HydrophobicContact CB-CD1 4.24Å; V16-L39 HydrophobicContact CG1-CD1 3.99Å; V16-L39 HydrophobicContact CG2-CD1 4.16Å; Y37-L39 VanDerWaalsContact C-N 3.26Å; Y37-L39 PolarHBondContact O-N 2.95Å; L39-N46 WeakPolarHBondContact O-CB 3.43Å; L39-N46 PolarHBondContact O-ND2 2.94Å; L39-N46 VanDerWaalsContact O-ND2 3.08Å; L39-F47 HydrophobicContact CB-CB 3.71Å; L39-F47 HydrophobicContact CB-CG 4.4Å; L39-F47 HydrophobicContact CD1-CB 3.92Å; L39-F47 HydrophobicContact CD1-CD1 4.37Å; L39-F47 HydrophobicContact CD1-CD2 4.02Å; L39-F47 HydrophobicContact CD1-CG 3.85Å; L39-F47 HydrophobicContact CG-CB 4.46Å; L39-F105 HydrophobicContact CD1-CE1 4.19Å; L39-F105 HydrophobicContact CD1-CE2 4.12Å; L39-F105 HydrophobicContact CD1-CZ 3.79Å; L39-F105 HydrophobicContact CD2-CB 4.03Å; L39-F105 HydrophobicContact CD2-CD1 3.76Å; L39-F105 HydrophobicContact CD2-CD2 3.54Å; L39-F105 HydrophobicContact CD2-CE1 3.97Å; L39-F105 HydrophobicContact CD2-CE2 3.73Å; L39-F105 HydrophobicContact CD2-CG 3.51Å; L39-F105 HydrophobicContact CD2-CZ 3.92Å; L39-F105 HydrophobicContact CG-CE2 4.44Å; L39-F105 HydrophobicContact CG-CZ 4.48Å; L39-L110 HydrophobicContact CD2-CB 3.98Å; L39-L110 HydrophobicContact CD2-CD1 4.48Å
40N87.6Confident89.5Confident68 Ų6860.7 Ų60.736%0.36431%0.314SS..THydrogen-bonded Turntrans-969.6177-72.9-32.5000113.1N38 Q43 N46 F47N38-N40 PolarHBondContact O-N 3Å; N40-Q43 WeakPolarHBondContact CA-O 3.49Å; N40-N46 WeakPolarHBondContact OD1-CA 3.34Å; N40-N46 PolarHBondContact OD1-N 3.35Å; N40-F47 PolarHBondContact ND2-O 3.46Å; N40-F47 VanDerWaalsContact ND2-O 3.12Å; N40-F47 PolarHBondContact OD1-N 2.93Å
41K83.6Confident89.4Confident176 Ų17662.7 Ų62.777%0.76533%0.328SS*.SBendtrans-68.5-44.5-174.7-176.5-178179.6-169.80112.4N38N38-K41 HydrophobicContact CB-CB 4.26Å; N38-K41 WeakPolarHBondContact O-CB 3.41Å; N38-K41 PolarHBondContact O-N 2.96Å
42E78.6Confident89.2Confident155 Ų15560.4 Ų60.472%0.72432%0.317SS*.SBendtrans-86.4-40.3-178.3-61.6-166.8166.700112.2
43Q80.7Confident88.7Confident115 Ų11561.5 Ų61.554%0.53731%0.312SS..SBendtrans-134.6124.5178.9-176174.422.600110.2N40 N46N40-Q43 WeakPolarHBondContact CA-O 3.49Å; Q43-N46 PolarHBondContact O-ND2 3.27Å; Q43-N46 PolarHBondContact OE1-OD1 3.44Å
44A82.3Confident87.9Confident72 Ų7265.8 Ų65.860%0.59534%0.343SS*.THydrogen-bonded Turntrans-61141.4172.600000109.8
45N83.9Confident87.6Confident108 Ų10869.1 Ų69.158%0.57836%0.355SS*.THydrogen-bonded Turntrans73.917.4178.7-45.9-58.6000116.4R14R14-N45 WeakPolarHBondContact CD-O 3.38Å
46N89.6Confident87.2Confident4 Ų473.1 Ų73.12%0.02138%0.377CS..SBendtrans-63.6-47.9167.3-79-17.3000111.5R15 V16 L39 N40 Q43 L110R15-N46 HydrophobicContact CB-CB 4.41Å; R15-N46 WeakPolarHBondContact CD-OD1 3.41Å; R15-N46 PolarHBondContact N-O 3.08Å; V16-N46 PolarHBondContact N-O 2.83Å; L39-N46 WeakPolarHBondContact O-CB 3.43Å; L39-N46 PolarHBondContact O-ND2 2.94Å; L39-N46 VanDerWaalsContact O-ND2 3.08Å; N40-N46 WeakPolarHBondContact OD1-CA 3.34Å; N40-N46 PolarHBondContact OD1-N 3.35Å; Q43-N46 PolarHBondContact O-ND2 3.27Å; Q43-N46 PolarHBondContact OE1-OD1 3.44Å; N46-L110 HydrophobicContact CB-CD2 3.67Å; N46-L110 VanDerWaalsContact CG-CD2 3.41Å; N46-L110 WeakPolarHBondContact ND2-CD2 3.05Å
47F92.5Very high86.8Confident21 Ų2170.5 Ų70.59%0.09236%0.36CS..EExtended strand (participates in β ladder)trans-110.2125.8-176173.8-124.1000112.6V16 L18 L34 R35 L39 N40 V49V16-F47 HydrophobicContact CB-CB 4.2Å; V16-F47 HydrophobicContact CB-CD2 3.89Å; V16-F47 HydrophobicContact CG1-CD2 3.64Å; V16-F47 HydrophobicContact CG1-CE2 4.22Å; V16-F47 VanDerWaalsContact O-CA 3.28Å; V16-F47 WeakPolarHBondContact O-CA 3.48Å; L18-F47 HydrophobicContact CB-CE2 3.88Å; L18-F47 HydrophobicContact CB-CZ 4.41Å; L34-F47 HydrophobicContact CB-CE1 4.32Å; L34-F47 HydrophobicContact CB-CE2 4.21Å; L34-F47 HydrophobicContact CB-CZ 3.75Å; L34-F47 HydrophobicContact CD1-CE2 3.83Å; L34-F47 HydrophobicContact CD1-CZ 3.98Å; R35-F47 HydrophobicContact CG-CE1 4.42Å; L39-F47 HydrophobicContact CB-CB 3.71Å; L39-F47 HydrophobicContact CB-CG 4.4Å; L39-F47 HydrophobicContact CD1-CB 3.92Å; L39-F47 HydrophobicContact CD1-CD1 4.37Å; L39-F47 HydrophobicContact CD1-CD2 4.02Å; L39-F47 HydrophobicContact CD1-CG 3.85Å; L39-F47 HydrophobicContact CG-CB 4.46Å; N40-F47 PolarHBondContact ND2-O 3.46Å; N40-F47 VanDerWaalsContact ND2-O 3.12Å; N40-F47 PolarHBondContact OD1-N 2.93Å; F47-V49 HydrophobicContact CE1-CG2 3.79Å; F47-V49 HydrophobicContact CE2-CG2 4.02Å; F47-V49 HydrophobicContact CZ-CG2 3.34Å
48E93Very high86.4Confident40 Ų4070.3 Ų70.319%0.18736%0.362CS..EExtended strand (participates in β ladder)trans-127.2138.6171.5-174.8175.2147.400111K10 R14 V16 L17 L18K10-E48 IonicContact NZ-OE1 3.22Å; K10-E48 PolarHBondContact NZ-OE1 3.5Å; K10-E48 IonicContact NZ-OE2 2.69Å; K10-E48 PolarHBondContact NZ-OE2 3.07Å; R14-E48 HydrophobicContact CG-CB 3.84Å; R14-E48 IonicContact CZ-OE2 2.92Å; R14-E48 IonicContact NE-OE2 3.04Å; R14-E48 PolarHBondContact NE-OE2 3.02Å; R14-E48 IonicContact NH2-OE2 2.63Å; R14-E48 PolarHBondContact NH2-OE2 3.44Å; V16-E48 PolarHBondContact O-N 3.12Å; L17-E48 HydrophobicContact CD1-CB 4.08Å; L17-E48 HydrophobicContact CD1-CG 4.36Å; L18-E48 PolarHBondContact N-O 3.31Å
49V93Very high86.2Confident37 Ų3770 Ų7022%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-100.4109.5168.1-175.40000108.5L18 S20 E31 F47 C51L18-V49 HydrophobicContact CB-CG2 4.44Å; L18-V49 HydrophobicContact CD2-CG1 4.11Å; L18-V49 HydrophobicContact CD2-CG2 4.22Å; L18-V49 HydrophobicContact CG-CG1 4.5Å; L18-V49 CarbonylContact O-C 3.5Å; L18-V49 WeakPolarHBondContact O-CA 3.28Å; S20-V49 WeakPolarHBondContact OG-CG1 3.35Å; E31-V49 HydrophobicContact CG-CG2 4.06Å; F47-V49 HydrophobicContact CE1-CG2 3.79Å; F47-V49 HydrophobicContact CE2-CG2 4.02Å; F47-V49 HydrophobicContact CZ-CG2 3.34Å; V49-C51 PolarHBondContact O-N 3.33Å
50L92.5Very high86.1Confident12 Ų1273.2 Ų73.26%0.06338%0.383CS..EExtended strand (participates in β ladder)trans-89.798.6176-178.563.5000110F6 I7 K10 L17 L18 I19 S20 I52F6-L50 HydrophobicContact CE1-CD1 4.23Å; F6-L50 HydrophobicContact CE1-CD2 4.33Å; F6-L50 HydrophobicContact CZ-CD1 4.47Å; I7-L50 HydrophobicContact CD1-CD2 3.57Å; K10-L50 HydrophobicContact CG-CD2 4.44Å; L17-L50 HydrophobicContact CD1-CB 3.98Å; L18-L50 PolarHBondContact O-N 2.89Å; I19-L50 HydrophobicContact CG1-CD2 4.37Å; S20-L50 PolarHBondContact N-O 3.34Å; L50-I52 HydrophobicContact CD2-CG2 4.4Å; L50-I52 HydrophobicContact CG-CG2 4.18Å; L50-I52 PolarHBondContact O-N 2.85Å
51C91.6Very high86Confident43 Ų4370 Ų7029%0.29137%0.366SS..EExtended strand (participates in β ladder)trans-74.9112.2171.6-175.30000110.2S20 V49S20-C51 WeakPolarHBondContact O-CA 3.46Å; V49-C51 PolarHBondContact O-N 3.33Å
52I89.5Confident86.1Confident0 Ų062.8 Ų62.80%034%0.335CS..  trans-89.6-14.7179.562.5166.4000113I19 S20 K21 L50 C54 R55 C58 V61 E62 V76I19-I52 HydrophobicContact CG2-CD1 4.2Å; I19-I52 HydrophobicContact CG2-CG1 4.35Å; I19-I52 HydrophobicContact CG2-CG2 3.57Å; S20-I52 WeakPolarHBondContact O-CG1 3.16Å; S20-I52 PolarHBondContact O-N 3.45Å; K21-I52 HydrophobicContact CG-CG1 3.97Å; L50-I52 HydrophobicContact CD2-CG2 4.4Å; L50-I52 HydrophobicContact CG-CG2 4.18Å; L50-I52 PolarHBondContact O-N 2.85Å; I52-C54 PolarHBondContact O-N 3.06Å; I52-R55 WeakPolarHBondContact O-CB 3.15Å; I52-R55 PolarHBondContact O-N 2.86Å; I52-R55 VanDerWaalsContact O-N 3.1Å; I52-C58 VanDerWaalsContact O-CB 3.3Å; I52-C58 WeakPolarHBondContact O-CB 3.32Å; I52-C58 PolarHBondContact O-SG 3Å; I52-V61 HydrophobicContact CD1-CB 4.47Å; I52-V61 HydrophobicContact CD1-CG1 4.16Å; I52-V61 HydrophobicContact CG2-CB 4.42Å; I52-V61 HydrophobicContact CG2-CG1 3.85Å; I52-E62 HydrophobicContact CD1-CG 4.05Å; I52-V76 HydrophobicContact CD1-CG1 3.79Å; I52-V76 HydrophobicContact CG1-CG1 4.41Å
53E83.1Confident86.5Confident60 Ų6058.7 Ų58.728%0.2832%0.321SS..THydrogen-bonded Turntrans-61.6-40.2-174-169164.8-165.700113.5K21 K22 N23 R55K21-E53 HydrophobicContact CB-CB 4.08Å; K21-E53 HydrophobicContact CG-CB 3.93Å; K21-E53 HydrophobicContact CG-CG 4.5Å; K22-E53 WeakPolarHBondContact CA-OE2 3.27Å; K22-E53 PolarHBondContact N-OE2 3.37Å; N23-E53 VanDerWaalsContact CB-OE1 3.24Å; N23-E53 WeakPolarHBondContact CB-OE1 3.31Å; N23-E53 VanDerWaalsContact CG-OE1 3.27Å; N23-E53 PolarHBondContact N-OE2 2.92Å; N23-E53 PolarHBondContact ND2-OE1 3.41Å; E53-R55 PolarHBondContact O-N 2.96Å
54C78Confident86.8Confident113 Ų11354.6 Ų54.676%0.76430%0.301SS*.THydrogen-bonded Turntrans-84.53.8-179.1-57.50000113I52I52-C54 PolarHBondContact O-N 3.06Å
55R85.2Confident86.9Confident69 Ų6951.1 Ų51.126%0.2627%0.273SS..SBendtrans-92.2137.5-179.8-54.4178.254.691.4-1.8110.6F6 I52 E53 D57 C58F6-R55 VanDerWaalsContact CE1-CZ 3.4Å; I52-R55 WeakPolarHBondContact O-CB 3.15Å; I52-R55 PolarHBondContact O-N 2.86Å; I52-R55 VanDerWaalsContact O-N 3.1Å; E53-R55 PolarHBondContact O-N 2.96Å; R55-D57 WeakPolarHBondContact CB-OD1 3.18Å; R55-D57 IonicContact CZ-OD1 3.44Å; R55-D57 IonicContact CZ-OD2 3.72Å; R55-D57 IonicContact NE-OD1 2.76Å; R55-D57 PolarHBondContact NE-OD1 2.93Å; R55-D57 IonicContact NE-OD2 3.61Å; R55-D57 IonicContact NH2-OD1 3.4Å; R55-D57 PolarHBondContact NH2-OD1 3.29Å; R55-D57 IonicContact NH2-OD2 2.75Å; R55-D57 PolarHBondContact NH2-OD2 2.93Å; R55-D57 PolarHBondContact O-N 3.24Å; R55-D57 VanDerWaalsContact O-N 3.14Å; R55-C58 WeakPolarHBondContact O-CB 3.29Å; R55-C58 PolarHBondContact O-N 3.26Å; R55-C58 VanDerWaalsContact O-N 3.13Å
56K83.2Confident87Confident227 Ų22751 Ų5199%0.98726%0.264SS*.THydrogen-bonded Turntrans-59.6-24.3174.8-66.3-174.4178.5-177.70112.8
57D84.6Confident86.8Confident30 Ų3057.8 Ų57.816%0.1630%0.295CS..THydrogen-bonded Turntrans-9917.3-17962.9-0.9000113.6V3 R55 T59 T60 V61V3-D57 HydrophobicContact CG1-CB 4.18Å; V3-D57 HydrophobicContact CG2-CB 3.64Å; V3-D57 WeakPolarHBondContact CG2-OD2 3.35Å; R55-D57 WeakPolarHBondContact CB-OD1 3.18Å; R55-D57 IonicContact CZ-OD1 3.44Å; R55-D57 IonicContact CZ-OD2 3.72Å; R55-D57 IonicContact NE-OD1 2.76Å; R55-D57 PolarHBondContact NE-OD1 2.93Å; R55-D57 IonicContact NE-OD2 3.61Å; R55-D57 IonicContact NH2-OD1 3.4Å; R55-D57 PolarHBondContact NH2-OD1 3.29Å; R55-D57 IonicContact NH2-OD2 2.75Å; R55-D57 PolarHBondContact NH2-OD2 2.93Å; R55-D57 PolarHBondContact O-N 3.24Å; R55-D57 VanDerWaalsContact O-N 3.14Å; D57-T59 VanDerWaalsContact C-N 3.32Å; D57-T59 PolarHBondContact O-N 3.3Å; D57-T60 WeakPolarHBondContact O-CA 3.14Å; D57-T60 WeakPolarHBondContact O-CB 3.18Å; D57-T60 PolarHBondContact O-N 3.29Å; D57-V61 PolarHBondContact O-N 2.69Å
58C83.4Confident86.3Confident21 Ų2160.8 Ų60.814%0.14231%0.308CS..Hα-helixtrans-48-50.8-179.9-176.70000112.6I52 R55 T60 V61 E62I52-C58 VanDerWaalsContact O-CB 3.3Å; I52-C58 WeakPolarHBondContact O-CB 3.32Å; I52-C58 PolarHBondContact O-SG 3Å; R55-C58 WeakPolarHBondContact O-CB 3.29Å; R55-C58 PolarHBondContact O-N 3.26Å; R55-C58 VanDerWaalsContact O-N 3.13Å; C58-T60 VanDerWaalsContact C-N 3.27Å; C58-T60 PolarHBondContact O-N 2.84Å; C58-V61 WeakPolarHBondContact O-CB 3.48Å; C58-V61 PolarHBondContact O-N 2.78Å; C58-V61 VanDerWaalsContact O-N 3.12Å; C58-E62 WeakPolarHBondContact O-CG 3.21Å; C58-E62 PolarHBondContact O-N 3.32Å
59T84.4Confident85.8Confident95 Ų9559.2 Ų59.258%0.58330%0.301SS*.Hα-helixtrans-60.7-36178.2-49.30000112.6D57 E62 T63D57-T59 VanDerWaalsContact C-N 3.32Å; D57-T59 PolarHBondContact O-N 3.3Å; T59-E62 PolarHBondContact O-N 2.95Å; T59-T63 WeakPolarHBondContact O-CB 3.48Å; T59-T63 PolarHBondContact O-N 2.86Å; T59-T63 PolarHBondContact O-OG1 3.18Å
60T86.9Confident84.9Confident71 Ų7164.6 Ų64.644%0.43633%0.327SS..Hα-helixtrans-70.7-38.1177.4-50.10000110.8V3 D57 C58 T63 Y64V3-T60 HydrophobicContact CB-CG2 3.68Å; V3-T60 HydrophobicContact CG1-CG2 3.88Å; V3-T60 HydrophobicContact CG2-CG2 3.73Å; D57-T60 WeakPolarHBondContact O-CA 3.14Å; D57-T60 WeakPolarHBondContact O-CB 3.18Å; D57-T60 PolarHBondContact O-N 3.29Å; C58-T60 VanDerWaalsContact C-N 3.27Å; C58-T60 PolarHBondContact O-N 2.84Å; T60-T63 PolarHBondContact O-N 3.37Å; T60-Y64 VanDerWaalsContact O-CB 3.23Å; T60-Y64 WeakPolarHBondContact O-CB 3.08Å; T60-Y64 PolarHBondContact O-N 3.23Å
61V86.6Confident84.2Confident0 Ų072.4 Ų72.40%036%0.357CS..Hα-helixtrans-65.1-42.6173.4178.90000111.1V3 I7 I52 D57 C58 Y64 L65V3-V61 HydrophobicContact CG1-CB 4.47Å; V3-V61 HydrophobicContact CG1-CG2 3.45Å; V3-V61 VanDerWaalsContact CG1-CG2 3.45Å; I7-V61 HydrophobicContact CD1-CB 4.44Å; I7-V61 HydrophobicContact CD1-CG1 3.69Å; I7-V61 HydrophobicContact CD1-CG2 3.84Å; I7-V61 HydrophobicContact CG1-CG1 3.96Å; I7-V61 HydrophobicContact CG1-CG2 4Å; I52-V61 HydrophobicContact CD1-CB 4.47Å; I52-V61 HydrophobicContact CD1-CG1 4.16Å; I52-V61 HydrophobicContact CG2-CB 4.42Å; I52-V61 HydrophobicContact CG2-CG1 3.85Å; D57-V61 PolarHBondContact O-N 2.69Å; C58-V61 WeakPolarHBondContact O-CB 3.48Å; C58-V61 PolarHBondContact O-N 2.78Å; C58-V61 VanDerWaalsContact O-N 3.12Å; V61-Y64 WeakPolarHBondContact O-CB 3.28Å; V61-Y64 PolarHBondContact O-N 3.15Å; V61-L65 HydrophobicContact CG1-CD1 4.04Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.3Å; V61-L65 PolarHBondContact O-N 3.06Å
62E86Confident83.5Confident25 Ų2578.3 Ų78.312%0.11737%0.373CS..Hα-helixtrans-63-43.1175.9-72.7-171.8144.900112.4K21 I52 C58 T59 Y64 L65 W66 R74K21-E62 WeakPolarHBondContact CE-OE1 3.44Å; K21-E62 IonicContact NZ-OE1 2.74Å; K21-E62 PolarHBondContact NZ-OE1 3.39Å; I52-E62 HydrophobicContact CD1-CG 4.05Å; C58-E62 WeakPolarHBondContact O-CG 3.21Å; C58-E62 PolarHBondContact O-N 3.32Å; T59-E62 PolarHBondContact O-N 2.95Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-L65 PolarHBondContact O-N 2.96Å; E62-W66 PolarHBondContact O-N 3.39Å; E62-R74 HydrophobicContact CB-CB 4.21Å; E62-R74 WeakPolarHBondContact O-CB 3.49Å
63T86.6Confident83Confident70 Ų7081.2 Ų81.243%0.42939%0.389SS..Hα-helixtrans-63-40.6173.7-580000110.7T59 T60 W66 H67T59-T63 WeakPolarHBondContact O-CB 3.48Å; T59-T63 PolarHBondContact O-N 2.86Å; T59-T63 PolarHBondContact O-OG1 3.18Å; T60-T63 PolarHBondContact O-N 3.37Å; T63-W66 VanDerWaalsContact O-CB 3.31Å; T63-W66 WeakPolarHBondContact O-CB 3.4Å; T63-W66 PolarHBondContact O-N 3.07Å; T63-H67 PolarHBondContact O-CD2 2.97Å; T63-H67 PolarHBondContact O-N 2.87Å; T63-H67 VanDerWaalsContact O-N 3.15Å
64Y86.2Confident83Confident28 Ų2884.7 Ų84.711%0.1140%0.399CS..Hα-helixtrans-61.2-46175.3173.4-111.2000112.1T4 I7 D8 T60 V61 E62 W66 H67 K68T4-Y64 HydrophobicContact CG2-CD2 3.32Å; T4-Y64 HydrophobicContact CG2-CE2 3.76Å; T4-Y64 HydrophobicContact CG2-CG 4Å; I7-Y64 HydrophobicContact CB-CD1 3.98Å; I7-Y64 HydrophobicContact CB-CE1 3.77Å; I7-Y64 HydrophobicContact CG1-CD1 4.24Å; I7-Y64 HydrophobicContact CG2-CD1 3.89Å; I7-Y64 HydrophobicContact CG2-CE1 3.54Å; D8-Y64 PolarHBondContact OD1-OH 2.87Å; D8-Y64 PolarHBondContact OD2-OH 3.49Å; T60-Y64 VanDerWaalsContact O-CB 3.23Å; T60-Y64 WeakPolarHBondContact O-CB 3.08Å; T60-Y64 PolarHBondContact O-N 3.23Å; V61-Y64 WeakPolarHBondContact O-CB 3.28Å; V61-Y64 PolarHBondContact O-N 3.15Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; Y64-W66 VanDerWaalsContact C-N 3.31Å; Y64-W66 PolarHBondContact O-N 3.27Å; Y64-H67 PolarHBondContact O-N 2.76Å; Y64-H67 VanDerWaalsContact O-N 3.13Å; Y64-K68 HydrophobicContact CE1-CB 4.38Å; Y64-K68 HydrophobicContact CE1-CD 3.79Å; Y64-K68 HydrophobicContact CE2-CB 4.32Å; Y64-K68 WeakPolarHBondContact O-CB 3.24Å; Y64-K68 PolarHBondContact O-N 3.12Å; Y64-K68 VanDerWaalsContact OH-CD 3.24Å; Y64-K68 WeakPolarHBondContact OH-CD 3.4Å; Y64-K68 WeakPolarHBondContact OH-CE 3.45Å; Y64-K68 PolarHBondContact OH-NZ 3.39Å
65L86Confident83.3Confident0 Ų086.1 Ų86.10%040%0.395CS..Hα-helixtrans-60.8-41.8175.6-70.4164000111.4I19 V61 E62 H67 K68 L69 V76 F80I19-L65 HydrophobicContact CD1-CD2 3.88Å; I19-L65 HydrophobicContact CG2-CD1 4.21Å; V61-L65 HydrophobicContact CG1-CD1 4.04Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.3Å; V61-L65 PolarHBondContact O-N 3.06Å; E62-L65 PolarHBondContact O-N 2.96Å; L65-H67 PolarHBondContact O-N 2.94Å; L65-K68 PolarHBondContact O-N 2.79Å; L65-L69 HydrophobicContact CB-CD1 4.33Å; L65-L69 HydrophobicContact CD2-CD1 4.28Å; L65-L69 HydrophobicContact CD2-CG 4.48Å; L65-L69 VanDerWaalsContact O-CB 3.27Å; L65-L69 WeakPolarHBondContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 3.44Å; L65-V76 HydrophobicContact CD1-CG1 4.49Å; L65-F80 HydrophobicContact CD2-CE2 4.38Å; L65-F80 HydrophobicContact CD2-CZ 4.24Å
66W85.1Confident83.5Confident104 Ų10483.7 Ų83.739%0.39439%0.387SS..Hα-helixtrans-54-40.7173.7-178.3-89.2000112.8E62 T63 Y64 R72 R74E62-W66 PolarHBondContact O-N 3.39Å; T63-W66 VanDerWaalsContact O-CB 3.31Å; T63-W66 WeakPolarHBondContact O-CB 3.4Å; T63-W66 PolarHBondContact O-N 3.07Å; Y64-W66 VanDerWaalsContact C-N 3.31Å; Y64-W66 PolarHBondContact O-N 3.27Å; W66-R72 HydrophobicContact CD2-CB 4.03Å; W66-R72 HydrophobicContact CE3-CB 4.32Å; W66-R72 HydrophobicContact CH2-CB 4.24Å; W66-R72 WeakPolarHBondContact CH2-O 3.42Å; W66-R72 HydrophobicContact CZ2-CB 3.96Å; W66-R72 HydrophobicContact CZ3-CB 4.43Å; W66-R72 WeakPolarHBondContact CZ3-O 3.46Å; W66-R72 WeakPolarHBondContact O-CA 3.46Å; W66-R74 HydrophobicContact CB-CB 4.27Å; W66-R74 HydrophobicContact CE3-CB 4.08Å; W66-R74 HydrophobicContact CE3-CG 4.04Å
67H85.4Confident84Confident148 Ų14873 Ų7369%0.68534%0.342SS*.Hα-helixtrans-83.5-33.3179.3-74.4-72.8000114.1T63 Y64 L65T63-H67 PolarHBondContact O-CD2 2.97Å; T63-H67 PolarHBondContact O-N 2.87Å; T63-H67 VanDerWaalsContact O-N 3.15Å; Y64-H67 PolarHBondContact O-N 2.76Å; Y64-H67 VanDerWaalsContact O-N 3.13Å; L65-H67 PolarHBondContact O-N 2.94Å
68K81.8Confident84.5Confident83 Ų8371.7 Ų71.736%0.36133%0.334SS..Hα-helixtrans-76.6-35.6-177.7-162.7-165.4-174.268.80112.3D8 I11 Y64 L65 F80D8-K68 IonicContact OD1-NZ 3.89Å; D8-K68 PolarHBondContact OD1-NZ 2.94Å; D8-K68 IonicContact OD2-NZ 3.27Å; I11-K68 HydrophobicContact CD1-CD 4.23Å; Y64-K68 HydrophobicContact CE1-CB 4.38Å; Y64-K68 HydrophobicContact CE1-CD 3.79Å; Y64-K68 HydrophobicContact CE2-CB 4.32Å; Y64-K68 WeakPolarHBondContact O-CB 3.24Å; Y64-K68 PolarHBondContact O-N 3.12Å; Y64-K68 VanDerWaalsContact OH-CD 3.24Å; Y64-K68 WeakPolarHBondContact OH-CD 3.4Å; Y64-K68 WeakPolarHBondContact OH-CE 3.45Å; Y64-K68 PolarHBondContact OH-NZ 3.39Å; L65-K68 PolarHBondContact O-N 2.79Å; K68-F80 HydrophobicContact CD-CE1 4.48Å
69L82.8Confident85Confident7 Ų770.7 Ų70.74%0.03733%0.328CS..SBendtrans-86.2133.9-172.8-59.2-173.1000111.1L65 Y71 R72 N73 H78 F80 H85L65-L69 HydrophobicContact CB-CD1 4.33Å; L65-L69 HydrophobicContact CD2-CD1 4.28Å; L65-L69 HydrophobicContact CD2-CG 4.48Å; L65-L69 VanDerWaalsContact O-CB 3.27Å; L65-L69 WeakPolarHBondContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 3.44Å; L69-Y71 PolarHBondContact O-N 3.32Å; L69-R72 PolarHBondContact O-N 3.38Å; L69-N73 WeakPolarHBondContact CD1-O 3.27Å; L69-H78 WeakPolarHBondContact CD1-CE1 3.44Å; L69-H78 WeakPolarHBondContact CD1-NE2 2.84Å; L69-F80 HydrophobicContact CD2-CE1 4.26Å; L69-F80 HydrophobicContact CD2-CZ 3.87Å; L69-H85 HydrophobicContact CD2-CB 3.96Å; L69-H85 VanDerWaalsContact CD2-CG 3.43Å; L69-H85 WeakPolarHBondContact CD2-ND1 3.32Å
70I74.5Confident85.5Confident151 Ų15166.4 Ų66.477%0.77430%0.301SS*.THydrogen-bonded Turntrans-55.1-41.3-178.7-63.8173.6000111.1R72I70-R72 PolarHBondContact O-N 3.18Å
71Y76.4Confident85.8Confident175 Ų17563.8 Ų63.869%0.68628%0.284SS*.THydrogen-bonded Turntrans-823.5-177.1-51.4-69000114.3L69 N73L69-Y71 PolarHBondContact O-N 3.32Å; Y71-N73 PolarHBondContact O-N 3.25Å
72R77.6Confident86Confident168 Ų16867.7 Ų67.763%0.63431%0.305SS*.  trans46.450-177.3-60.5-177.7176-167.7-1.7111.8W66 L69 I70W66-R72 HydrophobicContact CD2-CB 4.03Å; W66-R72 HydrophobicContact CE3-CB 4.32Å; W66-R72 HydrophobicContact CH2-CB 4.24Å; W66-R72 WeakPolarHBondContact CH2-O 3.42Å; W66-R72 HydrophobicContact CZ2-CB 3.96Å; W66-R72 HydrophobicContact CZ3-CB 4.43Å; W66-R72 WeakPolarHBondContact CZ3-O 3.46Å; W66-R72 WeakPolarHBondContact O-CA 3.46Å; L69-R72 PolarHBondContact O-N 3.38Å; I70-R72 PolarHBondContact O-N 3.18Å
73N79.8Confident86.3Confident60 Ų6068.2 Ų68.232%0.32132%0.317SS..  trans-103.8120.8176.4-170.7-0.6000108.5L69 Y71 Q75 H78L69-N73 WeakPolarHBondContact CD1-O 3.27Å; Y71-N73 PolarHBondContact O-N 3.25Å; N73-Q75 VanDerWaalsContact OD1-CB 3.31Å; N73-Q75 WeakPolarHBondContact OD1-CB 3.19Å; N73-Q75 PolarHBondContact OD1-N 3.16Å; N73-H78 PolarHBondContact O-NE2 3.05Å
74R82.5Confident86.5Confident134 Ų13472.3 Ų72.351%0.50633%0.329SS..  trans-93.2-10.5174.264178.7178.4145-2.2113.2E62 W66 V76E62-R74 HydrophobicContact CB-CB 4.21Å; E62-R74 WeakPolarHBondContact O-CB 3.49Å; W66-R74 HydrophobicContact CB-CB 4.27Å; W66-R74 HydrophobicContact CE3-CB 4.08Å; W66-R74 HydrophobicContact CE3-CG 4.04Å; R74-V76 PolarHBondContact O-N 2.88Å
75Q84.9Confident86.8Confident143 Ų14373.7 Ų73.767%0.66834%0.336SS*.SBendtrans-79.6115.7-175.1-59.8-173.910.800110.1N73 H78N73-Q75 VanDerWaalsContact OD1-CB 3.31Å; N73-Q75 WeakPolarHBondContact OD1-CB 3.19Å; N73-Q75 PolarHBondContact OD1-N 3.16Å; Q75-H78 PolarHBondContact O-CE1 3.22Å; Q75-H78 VanDerWaalsContact O-CE1 3.27Å; Q75-H78 PolarHBondContact O-NE2 2.7Å; Q75-H78 VanDerWaalsContact O-NE2 3.15Å
76V89.2Confident87Confident17 Ų1775.8 Ų75.810%0.10335%0.347CS..SBendtrans-66.2150.2169-66.50000111.1I19 K21 I52 L65 R74I19-V76 HydrophobicContact CG2-CG1 4.01Å; K21-V76 HydrophobicContact CB-CG2 3.92Å; K21-V76 HydrophobicContact CD-CG2 3.74Å; K21-V76 HydrophobicContact CG-CG2 3.59Å; I52-V76 HydrophobicContact CD1-CG1 3.79Å; I52-V76 HydrophobicContact CG1-CG1 4.41Å; L65-V76 HydrophobicContact CD1-CG1 4.49Å; R74-V76 PolarHBondContact O-N 2.88Å
77P93.8Very high87.3Confident4 Ų470.9 Ų70.93%0.02633%0.329CS..  cis-81.6152.611.528.8-30.6000114.7L18 I19 V26 I30 G88 E89L18-P77 HydrophobicContact CD1-CB 3.72Å; I19-P77 VanDerWaalsContact O-CA 3.32Å; I19-P77 WeakPolarHBondContact O-CA 3.44Å; V26-P77 HydrophobicContact CG1-CG 4.35Å; I30-P77 HydrophobicContact CB-CB 4.44Å; I30-P77 HydrophobicContact CB-CG 4.06Å; I30-P77 HydrophobicContact CG1-CG 3.68Å; I30-P77 HydrophobicContact CG2-CB 4.26Å; I30-P77 HydrophobicContact CG2-CG 4.25Å; P77-G88 WeakPolarHBondContact O-CA 3.28Å; P77-E89 HydrophobicContact CG-CB 3.88Å
78H94.1Very high87.6Confident2 Ų264 Ų641%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-130.2129.1164.7-67.9-54.4000111.2I19 L69 N73 Q75 F80 H85 G87I19-H78 PolarHBondContact N-O 3.18Å; I19-H78 PolarHBondContact O-N 3.14Å; L69-H78 WeakPolarHBondContact CD1-CE1 3.44Å; L69-H78 WeakPolarHBondContact CD1-NE2 2.84Å; N73-H78 PolarHBondContact O-NE2 3.05Å; Q75-H78 PolarHBondContact O-CE1 3.22Å; Q75-H78 VanDerWaalsContact O-CE1 3.27Å; Q75-H78 PolarHBondContact O-NE2 2.7Å; Q75-H78 VanDerWaalsContact O-NE2 3.15Å; H78-F80 HydrophobicContact CB-CE2 4.01Å; H78-H85 AromaticContact CG-NE2 3.86Å; H78-H85 AromaticContact ND1-NE2 3.46Å; H78-H85 PolarHBondContact ND1-NE2 3.46Å; H78-G87 WeakPolarHBondContact CA-O 3.42Å
79L94.5Very high88.2Confident0 Ų062.4 Ų62.40%029%0.292CS..EExtended strand (participates in β ladder)trans-103135.2178.6-175.967.8000111.4V16 L17 L18 L34 H85 I86 G87 I92 M101V16-L79 HydrophobicContact CG1-CD1 3.54Å; L17-L79 WeakPolarHBondContact O-CA 3.45Å; L18-L79 HydrophobicContact CB-CD1 4.34Å; L34-L79 HydrophobicContact CD1-CD1 3.79Å; L34-L79 HydrophobicContact CD2-CD1 4.39Å; L34-L79 HydrophobicContact CD2-CD2 4.16Å; L79-H85 PolarHBondContact O-CD2 3.17Å; L79-I86 HydrophobicContact CB-CB 4.34Å; L79-I86 HydrophobicContact CD2-CB 4.21Å; L79-I86 HydrophobicContact CD2-CG1 4.5Å; L79-I86 HydrophobicContact CD2-CG2 4.16Å; L79-I86 HydrophobicContact CG-CB 4.3Å; L79-I86 PolarHBondContact O-N 3.38Å; L79-G87 PolarHBondContact N-O 3.44Å; L79-I92 HydrophobicContact CB-CD1 3.59Å; L79-I92 HydrophobicContact CB-CG1 3.98Å; L79-I92 HydrophobicContact CD2-CD1 4.35Å; L79-I92 HydrophobicContact CD2-CG1 4.06Å; L79-M101 HydrophobicContact CD2-CE 3.16Å; L79-M101 HydrophobicContact CD2-SD 4.49Å
80F94.2Very high88.6Confident4 Ų465.5 Ų65.52%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-119140.6170.7-63.5-100000110.1I11 V16 L17 I19 L65 K68 L69 H78 K84 H85I11-F80 HydrophobicContact CD1-CD1 3.99Å; I11-F80 HydrophobicContact CD1-CD2 4.47Å; I11-F80 HydrophobicContact CD1-CE1 3.75Å; I11-F80 HydrophobicContact CD1-CE2 4.28Å; I11-F80 HydrophobicContact CD1-CG 4.34Å; I11-F80 HydrophobicContact CD1-CZ 3.91Å; I11-F80 HydrophobicContact CG1-CD1 4.19Å; I11-F80 HydrophobicContact CG1-CD2 4.39Å; I11-F80 HydrophobicContact CG1-CE1 4.44Å; I11-F80 HydrophobicContact CG1-CG 4.17Å; I11-F80 HydrophobicContact CG2-CD1 4.13Å; V16-F80 VanDerWaalsContact CA-O 3.31Å; V16-F80 WeakPolarHBondContact CA-O 3.38Å; L17-F80 HydrophobicContact CB-CB 4.29Å; L17-F80 PolarHBondContact N-O 3.25Å; L17-F80 PolarHBondContact O-N 3.15Å; I19-F80 HydrophobicContact CD1-CD2 4.33Å; I19-F80 HydrophobicContact CD1-CE2 3.76Å; I19-F80 HydrophobicContact CG1-CE2 4.36Å; L65-F80 HydrophobicContact CD2-CE2 4.38Å; L65-F80 HydrophobicContact CD2-CZ 4.24Å; K68-F80 HydrophobicContact CD-CE1 4.48Å; L69-F80 HydrophobicContact CD2-CE1 4.26Å; L69-F80 HydrophobicContact CD2-CZ 3.87Å; H78-F80 HydrophobicContact CB-CE2 4.01Å; F80-K84 CarbonylContact C-O 3.6Å; F80-K84 WeakPolarHBondContact CA-O 3.31Å; F80-H85 HydrophobicContact CD1-CB 4.06Å; F80-H85 HydrophobicContact CE1-CB 3.76Å; F80-H85 HydrophobicContact CZ-CB 4.39Å; F80-H85 AromaticContact CZ-CD2 3.85Å
81L93.6Very high89.5Confident17 Ų1760.8 Ų60.89%0.08929%0.287CS..EExtended strand (participates in β ladder)trans-129.1123.9172.8175.967.6000109.4R15 V16 G83 K84 I86 I104 F105 A108 L110R15-L81 CarbonylContact O-C 3.53Å; R15-L81 WeakPolarHBondContact O-CA 3.13Å; V16-L81 HydrophobicContact CG2-CD1 3.75Å; L81-G83 PolarHBondContact O-N 2.89Å; L81-G83 VanDerWaalsContact O-N 3.15Å; L81-K84 PolarHBondContact N-O 2.9Å; L81-K84 WeakPolarHBondContact O-CB 3.5Å; L81-K84 PolarHBondContact O-N 3.46Å; L81-I86 HydrophobicContact CB-CD1 3.87Å; L81-I86 HydrophobicContact CB-CG1 3.66Å; L81-I86 HydrophobicContact CD2-CD1 4.3Å; L81-I104 HydrophobicContact CD2-CG2 3.19Å; L81-F105 HydrophobicContact CD1-CD1 4.41Å; L81-F105 HydrophobicContact CD1-CE1 4.45Å; L81-A108 HydrophobicContact CD1-CB 4.2Å; L81-A108 HydrophobicContact CD2-CB 4.49Å; L81-L110 HydrophobicContact CD1-CD1 3.59Å
82D91.7Very high90.3Very high82 Ų8252.4 Ų52.444%0.43925%0.254SS..THydrogen-bonded Turntrans44.846.6-178.2-66.9-33.9000112R15 K84R15-D82 IonicContact CZ-OD1 2.91Å; R15-D82 IonicContact CZ-OD2 2.88Å; R15-D82 IonicContact NE-OD1 3.2Å; R15-D82 PolarHBondContact NE-OD1 3.29Å; R15-D82 IonicContact NE-OD2 2.7Å; R15-D82 IonicContact NH2-OD1 2.68Å; R15-D82 PolarHBondContact NH2-OD1 2.52Å; R15-D82 IonicContact NH2-OD2 3.94Å; R15-D82 PolarHBondContact NH2-OD2 3.45Å; R15-D82 PolarHBondContact O-N 3.13Å; D82-K84 VanDerWaalsContact C-N 3.26Å; D82-K84 PolarHBondContact O-N 3.5Å
83G91.1Very high91.1Very high35 Ų3547.5 Ų47.536%0.36124%0.237SC..THydrogen-bonded Turntrans80.7-10.2-179.600000116.2L81L81-G83 PolarHBondContact O-N 2.89Å; L81-G83 VanDerWaalsContact O-N 3.15Å
84K91.2Very high91.8Very high157 Ų15751.4 Ų51.468%0.68325%0.247SC*.EExtended strand (participates in β ladder)trans-93.6139.1-178.6-61.4-179.5-178175.80111.4F80 L81 D82 I86F80-K84 CarbonylContact C-O 3.6Å; F80-K84 WeakPolarHBondContact CA-O 3.31Å; L81-K84 PolarHBondContact N-O 2.9Å; L81-K84 WeakPolarHBondContact O-CB 3.5Å; L81-K84 PolarHBondContact O-N 3.46Å; D82-K84 VanDerWaalsContact C-N 3.26Å; D82-K84 PolarHBondContact O-N 3.5Å; K84-I86 PolarHBondContact O-N 3.37Å
85H92Very high92.4Very high56 Ų5645.7 Ų45.726%0.25923%0.227SC..EExtended strand (participates in β ladder)trans-74.6120.9173.8-177.1-129000110.1L69 H78 L79 F80 G87L69-H85 HydrophobicContact CD2-CB 3.96Å; L69-H85 VanDerWaalsContact CD2-CG 3.43Å; L69-H85 WeakPolarHBondContact CD2-ND1 3.32Å; H78-H85 AromaticContact CG-NE2 3.86Å; H78-H85 AromaticContact ND1-NE2 3.46Å; H78-H85 PolarHBondContact ND1-NE2 3.46Å; L79-H85 PolarHBondContact O-CD2 3.17Å; F80-H85 HydrophobicContact CD1-CB 4.06Å; F80-H85 HydrophobicContact CE1-CB 3.76Å; F80-H85 HydrophobicContact CZ-CB 4.39Å; F80-H85 AromaticContact CZ-CD2 3.85Å; H85-G87 PolarHBondContact NE2-O 3.29Å
86I91.8Very high92.9Very high44 Ų4442 Ų4223%0.22621%0.21CC..EExtended strand (participates in β ladder)trans-87.5-40.4178.5-63.7-60.3000110.9L79 L81 K84 L95L79-I86 HydrophobicContact CB-CB 4.34Å; L79-I86 HydrophobicContact CD2-CB 4.21Å; L79-I86 HydrophobicContact CD2-CG1 4.5Å; L79-I86 HydrophobicContact CD2-CG2 4.16Å; L79-I86 HydrophobicContact CG-CB 4.3Å; L79-I86 PolarHBondContact O-N 3.38Å; L81-I86 HydrophobicContact CB-CD1 3.87Å; L81-I86 HydrophobicContact CB-CG1 3.66Å; L81-I86 HydrophobicContact CD2-CD1 4.3Å; K84-I86 PolarHBondContact O-N 3.37Å; I86-L95 HydrophobicContact CG2-CD1 3.48Å; I86-L95 VanDerWaalsContact CG2-CD1 3.48Å
87G91.2Very high93.2Very high2 Ų248.4 Ų48.42%0.02124%0.238CC..EExtended strand (participates in β ladder)trans153.3-17417800000113.9H78 L79 H85H78-G87 WeakPolarHBondContact CA-O 3.42Å; L79-G87 PolarHBondContact N-O 3.44Å; H85-G87 PolarHBondContact NE2-O 3.29Å
88G92.2Very high93.3Very high3 Ų351.4 Ų51.43%0.03126%0.259CS..SBendtrans-95-160.7171.400000112.1P77 E91 I92P77-G88 WeakPolarHBondContact O-CA 3.28Å; G88-E91 WeakPolarHBondContact CA-OE2 3.23Å; G88-E91 PolarHBondContact N-OE2 2.93Å; G88-E91 PolarHBondContact O-N 3.26Å; G88-I92 VanDerWaalsContact O-CD1 3.29Å; G88-I92 WeakPolarHBondContact O-CD1 3.3Å; G88-I92 WeakPolarHBondContact O-CG1 3.45Å; G88-I92 PolarHBondContact O-N 3.05Å
89E92.4Very high93.3Very high50 Ų5053 Ų5323%0.23428%0.276CS..Hα-helixtrans-53.4-49177.4178.3-109.5-160.100115V26 I30 P77 E91 I92 K93V26-E89 HydrophobicContact CG1-CB 3.52Å; V26-E89 HydrophobicContact CG1-CG 3.36Å; I30-E89 HydrophobicContact CD1-CB 4.36Å; I30-E89 HydrophobicContact CD1-CG 3.82Å; I30-E89 HydrophobicContact CG1-CB 4.12Å; I30-E89 HydrophobicContact CG1-CG 3.9Å; P77-E89 HydrophobicContact CG-CB 3.88Å; E89-E91 VanDerWaalsContact C-N 3.32Å; E89-E91 PolarHBondContact O-N 2.81Å; E89-I92 PolarHBondContact O-N 3.47Å; E89-K93 HydrophobicContact CG-CD 4.07Å; E89-K93 HydrophobicContact CG-CG 4.27Å; E89-K93 PolarHBondContact O-N 3.33Å; E89-K93 VanDerWaalsContact OE1-CD 3.27Å; E89-K93 WeakPolarHBondContact OE1-CD 3.36Å; E89-K93 WeakPolarHBondContact OE1-CE 3.42Å; E89-K93 IonicContact OE1-NZ 3.95Å; E89-K93 PolarHBondContact OE1-NZ 2.85Å
90P91.9Very high93.3Very high72 Ų7257.8 Ų57.847%0.46830%0.298SS..Hα-helixtrans-65-38.2-174.922.2-30.9000111.8R94P90-R94 VanDerWaalsContact O-CB 3.27Å; P90-R94 WeakPolarHBondContact O-CB 3.47Å; P90-R94 PolarHBondContact O-N 2.91Å
91E92.7Very high93.2Very high51 Ų5157.7 Ų57.724%0.23830%0.298CS..Hα-helixtrans-66.1-45.5175-67.171.1-141.100111.5G88 E89 K93 R94 L95G88-E91 WeakPolarHBondContact CA-OE2 3.23Å; G88-E91 PolarHBondContact N-OE2 2.93Å; G88-E91 PolarHBondContact O-N 3.26Å; E89-E91 VanDerWaalsContact C-N 3.32Å; E89-E91 PolarHBondContact O-N 2.81Å; E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 2.92Å; E91-R94 PolarHBondContact O-N 2.82Å; E91-L95 WeakPolarHBondContact O-CB 3.13Å; E91-L95 WeakPolarHBondContact O-CG 3.27Å; E91-L95 PolarHBondContact O-N 3.22Å
92I94Very high93.2Very high0 Ų064 Ų640%032%0.321CS..Hα-helixtrans-64.1-42.5-178.7-62.7160.2000110.5I30 L79 G88 E89 L95 H96 M101I30-I92 HydrophobicContact CD1-CB 4.01Å; I30-I92 HydrophobicContact CD1-CG2 3.88Å; I30-I92 HydrophobicContact CG2-CD1 3.64Å; I30-I92 HydrophobicContact CG2-CG2 4.06Å; L79-I92 HydrophobicContact CB-CD1 3.59Å; L79-I92 HydrophobicContact CB-CG1 3.98Å; L79-I92 HydrophobicContact CD2-CD1 4.35Å; L79-I92 HydrophobicContact CD2-CG1 4.06Å; G88-I92 VanDerWaalsContact O-CD1 3.29Å; G88-I92 WeakPolarHBondContact O-CD1 3.3Å; G88-I92 WeakPolarHBondContact O-CG1 3.45Å; G88-I92 PolarHBondContact O-N 3.05Å; E89-I92 PolarHBondContact O-N 3.47Å; I92-L95 PolarHBondContact O-N 2.68Å; I92-H96 VanDerWaalsContact O-CB 3.29Å; I92-H96 WeakPolarHBondContact O-CB 3.39Å; I92-H96 PolarHBondContact O-N 2.94Å; I92-M101 HydrophobicContact CG2-CE 4.41Å
93K94.5Very high93.3Very high65 Ų6568.1 Ų68.128%0.28333%0.33SS..Hα-helixtrans-62.4-48.5175.2-78.8-173.6172.5175.40111.7I30 I33 E89 E91 L95 H96 E97I30-K93 HydrophobicContact CD1-CG 3.95Å; I33-K93 HydrophobicContact CD1-CG 4.41Å; E89-K93 HydrophobicContact CG-CD 4.07Å; E89-K93 HydrophobicContact CG-CG 4.27Å; E89-K93 PolarHBondContact O-N 3.33Å; E89-K93 VanDerWaalsContact OE1-CD 3.27Å; E89-K93 WeakPolarHBondContact OE1-CD 3.36Å; E89-K93 WeakPolarHBondContact OE1-CE 3.42Å; E89-K93 IonicContact OE1-NZ 3.95Å; E89-K93 PolarHBondContact OE1-NZ 2.85Å; E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 2.92Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.57Å; K93-H96 WeakPolarHBondContact O-CB 3.34Å; K93-H96 PolarHBondContact O-N 3.33Å; K93-H96 VanDerWaalsContact O-N 3.12Å; K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.23Å; K93-E97 PolarHBondContact O-N 3.43Å
94R95.1Very high93.3Very high141 Ų14168.6 Ų68.653%0.53232%0.323SS..Hα-helixtrans-57.8-44.9177.5-173.7-176.672.2-136.8-0.3112P90 E91 S98P90-R94 VanDerWaalsContact O-CB 3.27Å; P90-R94 WeakPolarHBondContact O-CB 3.47Å; P90-R94 PolarHBondContact O-N 2.91Å; E91-R94 PolarHBondContact O-N 2.82Å; R94-S98 VanDerWaalsContact O-CB 3.27Å; R94-S98 WeakPolarHBondContact O-CB 3.06Å; R94-S98 PolarHBondContact O-N 3.45Å; R94-S98 PolarHBondContact O-OG 3.3Å
95L95Very high93.4Very high15 Ų1561.3 Ų61.38%0.07929%0.292CS..Hα-helixtrans-66.2-38177.5-69.4171.6000111.6I86 E91 I92 K93 S98 G99 E100 M101 I104I86-L95 HydrophobicContact CG2-CD1 3.48Å; I86-L95 VanDerWaalsContact CG2-CD1 3.48Å; E91-L95 WeakPolarHBondContact O-CB 3.13Å; E91-L95 WeakPolarHBondContact O-CG 3.27Å; E91-L95 PolarHBondContact O-N 3.22Å; I92-L95 PolarHBondContact O-N 2.68Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.57Å; L95-S98 WeakPolarHBondContact CA-OG 3.47Å; L95-S98 PolarHBondContact O-OG 2.78Å; L95-S98 VanDerWaalsContact O-OG 3.12Å; L95-G99 PolarHBondContact O-N 3.44Å; L95-E100 HydrophobicContact CD2-CB 3.83Å; L95-E100 WeakPolarHBondContact CD2-OE2 3.47Å; L95-E100 PolarHBondContact O-N 3.25Å; L95-E100 VanDerWaalsContact O-N 3.16Å; L95-M101 HydrophobicContact CB-CB 3.9Å; L95-M101 HydrophobicContact CB-SD 3.94Å; L95-M101 HydrophobicContact CD1-SD 4.13Å; L95-M101 VanDerWaalsContact O-CB 3.29Å; L95-M101 WeakPolarHBondContact O-CB 3.23Å; L95-M101 PolarHBondContact O-N 3.09Å; L95-I104 HydrophobicContact CD1-CD1 4.28Å; L95-I104 HydrophobicContact CD2-CD1 4Å
96H94.9Very high93.3Very high66 Ų6666.8 Ų66.831%0.30632%0.315SS..Hα-helixtrans-65.2-50.7176.4175.566.1000111.5I33 Y37 I92 K93 G99I33-H96 HydrophobicContact CG2-CB 3.94Å; I33-H96 WeakPolarHBondContact CG2-ND1 3.27Å; Y37-H96 AromaticContact CE2-ND1 3.76Å; Y37-H96 AromaticContact CZ-ND1 3.6Å; Y37-H96 PolarHBondContact OH-ND1 2.75Å; I92-H96 VanDerWaalsContact O-CB 3.29Å; I92-H96 WeakPolarHBondContact O-CB 3.39Å; I92-H96 PolarHBondContact O-N 2.94Å; K93-H96 WeakPolarHBondContact O-CB 3.34Å; K93-H96 PolarHBondContact O-N 3.33Å; K93-H96 VanDerWaalsContact O-N 3.12Å; H96-G99 PolarHBondContact O-N 3.03Å; H96-G99 VanDerWaalsContact O-N 3.13Å
97E94.9Very high93.2Very high151 Ų15170.9 Ų70.971%0.70633%0.333SS*.Hα-helixtrans-65.4-38.6-177.6-71.5168.5-169.600112.4K93 G99K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.23Å; K93-E97 PolarHBondContact O-N 3.43Å; E97-G99 PolarHBondContact O-N 2.84Å
98S96.1Very high93.1Very high67 Ų6771.7 Ų71.747%0.46934%0.34SS..THydrogen-bonded Turntrans-73.2-13.3174.758.50000114R94 L95 E100R94-S98 VanDerWaalsContact O-CB 3.27Å; R94-S98 WeakPolarHBondContact O-CB 3.06Å; R94-S98 PolarHBondContact O-N 3.45Å; R94-S98 PolarHBondContact O-OG 3.3Å; L95-S98 WeakPolarHBondContact CA-OG 3.47Å; L95-S98 PolarHBondContact O-OG 2.78Å; L95-S98 VanDerWaalsContact O-OG 3.12Å; S98-E100 PolarHBondContact O-N 3.07Å; S98-E100 WeakPolarHBondContact OG-CB 3.37Å; S98-E100 WeakPolarHBondContact OG-CG 3.2Å; S98-E100 PolarHBondContact OG-N 3.31Å
99G94.3Very high92.8Very high34 Ų3473.4 Ų73.435%0.35136%0.357SS..SBendtrans76.9-6.2-172.200000114.5L95 H96 E97 M101 R102 R103L95-G99 PolarHBondContact O-N 3.44Å; H96-G99 PolarHBondContact O-N 3.03Å; H96-G99 VanDerWaalsContact O-N 3.13Å; E97-G99 PolarHBondContact O-N 2.84Å; G99-M101 PolarHBondContact O-N 3.07Å; G99-R102 WeakPolarHBondContact O-CB 3.46Å; G99-R102 PolarHBondContact O-N 2.65Å; G99-R102 VanDerWaalsContact O-N 3.1Å; G99-R103 PolarHBondContact O-N 2.82Å
100E94.3Very high92.5Very high102 Ų10272.4 Ų72.448%0.47735%0.353SS..Hα-helixtrans-58.2-34.7176.9-69.1-173.9131.600111.8L95 S98 R102 R103 I104L95-E100 HydrophobicContact CD2-CB 3.83Å; L95-E100 WeakPolarHBondContact CD2-OE2 3.47Å; L95-E100 PolarHBondContact O-N 3.25Å; L95-E100 VanDerWaalsContact O-N 3.16Å; S98-E100 PolarHBondContact O-N 3.07Å; S98-E100 WeakPolarHBondContact OG-CB 3.37Å; S98-E100 WeakPolarHBondContact OG-CG 3.2Å; S98-E100 PolarHBondContact OG-N 3.31Å; E100-R102 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 3.47Å; E100-R103 CarbonylContact O-C 3.48Å; E100-R103 WeakPolarHBondContact O-CA 3.47Å; E100-R103 WeakPolarHBondContact O-CB 3.4Å; E100-R103 PolarHBondContact O-N 3.31Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.5Å; E100-I104 PolarHBondContact O-N 2.92Å
101M93.1Very high92.5Very high1 Ų172.4 Ų72.41%0.00535%0.347CS..Hα-helixtrans-59-40.6177.3-166.269.6170.900112.5L34 Y37 L79 I92 L95 G99 R103 I104 F105L34-M101 HydrophobicContact CD2-CE 3.56Å; Y37-M101 HydrophobicContact CE1-CG 4.4Å; Y37-M101 HydrophobicContact CE2-CG 4.06Å; Y37-M101 WeakPolarHBondContact OH-CB 3.44Å; L79-M101 HydrophobicContact CD2-CE 3.16Å; L79-M101 HydrophobicContact CD2-SD 4.49Å; I92-M101 HydrophobicContact CG2-CE 4.41Å; L95-M101 HydrophobicContact CB-CB 3.9Å; L95-M101 HydrophobicContact CB-SD 3.94Å; L95-M101 HydrophobicContact CD1-SD 4.13Å; L95-M101 VanDerWaalsContact O-CB 3.29Å; L95-M101 WeakPolarHBondContact O-CB 3.23Å; L95-M101 PolarHBondContact O-N 3.09Å; G99-M101 PolarHBondContact O-N 3.07Å; M101-R103 VanDerWaalsContact C-N 3.31Å; M101-R103 PolarHBondContact O-N 2.94Å; M101-I104 PolarHBondContact O-N 3.12Å; M101-F105 HydrophobicContact CE-CE1 3.97Å; M101-F105 HydrophobicContact CE-CE2 3.46Å; M101-F105 VanDerWaalsContact CE-CE2 3.46Å; M101-F105 HydrophobicContact CE-CZ 3.13Å; M101-F105 HydrophobicContact CG-CD2 4.05Å; M101-F105 HydrophobicContact CG-CE2 3.63Å; M101-F105 HydrophobicContact CG-CZ 4.25Å; M101-F105 VanDerWaalsContact O-CD2 3.28Å; M101-F105 WeakPolarHBondContact O-CD2 3.42Å; M101-F105 WeakPolarHBondContact O-CG 3.49Å; M101-F105 PolarHBondContact O-N 3.19Å; M101-F105 HydrophobicContact SD-CE2 4.17Å; M101-F105 HydrophobicContact SD-CZ 4.19Å
102R92.2Very high92.5Very high151 Ų15173.5 Ų73.557%0.5735%0.353SS*.Hα-helixtrans-64.9-40.4176.9-170.4179.6-62.5-75.4-1.5110.7Y37 G99 E100 K106Y37-R102 HydrophobicContact CE1-CB 3.88Å; Y37-R102 HydrophobicContact CE1-CG 4.34Å; G99-R102 WeakPolarHBondContact O-CB 3.46Å; G99-R102 PolarHBondContact O-N 2.65Å; G99-R102 VanDerWaalsContact O-N 3.1Å; E100-R102 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 3.47Å; R102-K106 WeakPolarHBondContact O-CB 3.3Å; R102-K106 PolarHBondContact O-N 3.49Å
103R93.5Very high92.4Very high168 Ų16877.6 Ų77.663%0.63437%0.373SS*.Hα-helixtrans-64.8-46.9177.3-179.4179.7174179.8-1.4111G99 E100 M101 F105 K106 E107G99-R103 PolarHBondContact O-N 2.82Å; E100-R103 CarbonylContact O-C 3.48Å; E100-R103 WeakPolarHBondContact O-CA 3.47Å; E100-R103 WeakPolarHBondContact O-CB 3.4Å; E100-R103 PolarHBondContact O-N 3.31Å; M101-R103 VanDerWaalsContact C-N 3.31Å; M101-R103 PolarHBondContact O-N 2.94Å; R103-F105 PolarHBondContact O-N 3.26Å; R103-K106 PolarHBondContact O-N 3.1Å; R103-E107 HydrophobicContact CG-CG 4.32Å; R103-E107 WeakPolarHBondContact CG-OE1 3.24Å; R103-E107 IonicContact CZ-OE1 3.47Å; R103-E107 IonicContact NE-OE1 2.75Å; R103-E107 PolarHBondContact NE-OE1 3.47Å; R103-E107 IonicContact NH2-OE1 3.3Å; R103-E107 PolarHBondContact NH2-OE1 2.92Å; R103-E107 WeakPolarHBondContact O-CB 3.37Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 2.92Å
104I92.6Very high92.3Very high44 Ų4478.4 Ų78.423%0.22638%0.378CS..Hα-helixtrans-57-48177.7-71.9167000111L81 L95 E100 M101 E107 A108L81-I104 HydrophobicContact CD2-CG2 3.19Å; L95-I104 HydrophobicContact CD1-CD1 4.28Å; L95-I104 HydrophobicContact CD2-CD1 4Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.5Å; E100-I104 PolarHBondContact O-N 2.92Å; M101-I104 PolarHBondContact O-N 3.12Å; I104-E107 PolarHBondContact O-N 2.68Å; I104-A108 WeakPolarHBondContact O-CB 3.43Å; I104-A108 PolarHBondContact O-N 3.4Å
105F92.6Very high92.1Very high4 Ų474.4 Ų74.42%0.01837%0.369CS..Hα-helixtrans-65.1-42.9177.7-68.7-37.7000112.5V16 L34 Y37 L39 L81 M101 R103 E107 A108 G109 L110V16-F105 HydrophobicContact CG1-CE1 4.2Å; V16-F105 HydrophobicContact CG1-CZ 4.43Å; V16-F105 HydrophobicContact CG2-CD1 4.44Å; V16-F105 HydrophobicContact CG2-CE1 3.93Å; L34-F105 HydrophobicContact CD2-CE2 4.08Å; L34-F105 HydrophobicContact CD2-CZ 3.77Å; Y37-F105 AromaticContact CD1-CD2 3.69Å; Y37-F105 HydrophobicContact CD1-CD2 3.69Å; Y37-F105 HydrophobicContact CD1-CE2 4.12Å; Y37-F105 HydrophobicContact CD2-CD2 4.24Å; Y37-F105 AromaticContact CD2-CE2 3.81Å; Y37-F105 HydrophobicContact CD2-CE2 3.81Å; Y37-F105 HydrophobicContact CE1-CD2 4.14Å; Y37-F105 HydrophobicContact CE1-CE2 4.48Å; Y37-F105 HydrophobicContact CE2-CE2 4.19Å; Y37-F105 AromaticContact CG-CD2 3.74Å; Y37-F105 HydrophobicContact CG-CD2 3.74Å; Y37-F105 AromaticContact CG-CE2 3.77Å; Y37-F105 HydrophobicContact CG-CE2 3.77Å; L39-F105 HydrophobicContact CD1-CE1 4.19Å; L39-F105 HydrophobicContact CD1-CE2 4.12Å; L39-F105 HydrophobicContact CD1-CZ 3.79Å; L39-F105 HydrophobicContact CD2-CB 4.03Å; L39-F105 HydrophobicContact CD2-CD1 3.76Å; L39-F105 HydrophobicContact CD2-CD2 3.54Å; L39-F105 HydrophobicContact CD2-CE1 3.97Å; L39-F105 HydrophobicContact CD2-CE2 3.73Å; L39-F105 HydrophobicContact CD2-CG 3.51Å; L39-F105 HydrophobicContact CD2-CZ 3.92Å; L39-F105 HydrophobicContact CG-CE2 4.44Å; L39-F105 HydrophobicContact CG-CZ 4.48Å; L81-F105 HydrophobicContact CD1-CD1 4.41Å; L81-F105 HydrophobicContact CD1-CE1 4.45Å; M101-F105 HydrophobicContact CE-CE1 3.97Å; M101-F105 HydrophobicContact CE-CE2 3.46Å; M101-F105 VanDerWaalsContact CE-CE2 3.46Å; M101-F105 HydrophobicContact CE-CZ 3.13Å; M101-F105 HydrophobicContact CG-CD2 4.05Å; M101-F105 HydrophobicContact CG-CE2 3.63Å; M101-F105 HydrophobicContact CG-CZ 4.25Å; M101-F105 VanDerWaalsContact O-CD2 3.28Å; M101-F105 WeakPolarHBondContact O-CD2 3.42Å; M101-F105 WeakPolarHBondContact O-CG 3.49Å; M101-F105 PolarHBondContact O-N 3.19Å; M101-F105 HydrophobicContact SD-CE2 4.17Å; M101-F105 HydrophobicContact SD-CZ 4.19Å; R103-F105 PolarHBondContact O-N 3.26Å; F105-E107 PolarHBondContact O-N 2.88Å; F105-A108 CarbonylContact O-C 3.4Å; F105-A108 WeakPolarHBondContact O-CB 3.47Å; F105-A108 PolarHBondContact O-N 2.76Å; F105-A108 VanDerWaalsContact O-N 3.16Å; F105-G109 PolarHBondContact O-N 3.27Å; F105-L110 HydrophobicContact CB-CB 4.08Å; F105-L110 HydrophobicContact CD1-CD1 3.78Å; F105-L110 HydrophobicContact CE1-CD1 4.4Å; F105-L110 WeakPolarHBondContact O-CB 3.36Å; F105-L110 PolarHBondContact O-N 2.74Å
106K90.2Very high91.9Very high172 Ų17278.4 Ų78.475%0.74839%0.388SS*.Hα-helixtrans-61.7-42.6175.8-173.4-179.1179.4-176.30112.5R102 R103 A108 G109R102-K106 WeakPolarHBondContact O-CB 3.3Å; R102-K106 PolarHBondContact O-N 3.49Å; R103-K106 PolarHBondContact O-N 3.1Å; K106-A108 VanDerWaalsContact C-N 3.27Å; K106-A108 PolarHBondContact O-N 3.13Å; K106-G109 PolarHBondContact O-N 3.36Å
107E90.1Very high91.7Very high129 Ų12979.3 Ų79.360%0.60339%0.394SS*.Hα-helixtrans-66.3-31.1176.7-74.6175.6179.500111.9R103 I104 F105 G109R103-E107 HydrophobicContact CG-CG 4.32Å; R103-E107 WeakPolarHBondContact CG-OE1 3.24Å; R103-E107 IonicContact CZ-OE1 3.47Å; R103-E107 IonicContact NE-OE1 2.75Å; R103-E107 PolarHBondContact NE-OE1 3.47Å; R103-E107 IonicContact NH2-OE1 3.3Å; R103-E107 PolarHBondContact NH2-OE1 2.92Å; R103-E107 WeakPolarHBondContact O-CB 3.37Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 2.92Å; I104-E107 PolarHBondContact O-N 2.68Å; F105-E107 PolarHBondContact O-N 2.88Å; E107-G109 VanDerWaalsContact C-N 3.25Å; E107-G109 PolarHBondContact O-N 2.75Å
108A87.8Confident91.5Very high20 Ų2073.8 Ų73.817%0.16537%0.37CS..Hα-helixtrans-74.1-13.2169.800000112.5R15 L81 I104 F105 K106 L110R15-A108 PolarHBondContact NH1-O 3.14Å; R15-A108 PolarHBondContact NH2-O 2.97Å; L81-A108 HydrophobicContact CD1-CB 4.2Å; L81-A108 HydrophobicContact CD2-CB 4.49Å; I104-A108 WeakPolarHBondContact O-CB 3.43Å; I104-A108 PolarHBondContact O-N 3.4Å; F105-A108 CarbonylContact O-C 3.4Å; F105-A108 WeakPolarHBondContact O-CB 3.47Å; F105-A108 PolarHBondContact O-N 2.76Å; F105-A108 VanDerWaalsContact O-N 3.16Å; K106-A108 VanDerWaalsContact C-N 3.27Å; K106-A108 PolarHBondContact O-N 3.13Å; A108-L110 HydrophobicContact CB-CD1 3.92Å; A108-L110 HydrophobicContact CB-CG 4.04Å
109G85.7Confident91.1Very high38 Ų3874.3 Ų74.339%0.39236%0.362SS..THydrogen-bonded Turntrans71.249-172.300000111.8R15 F105 K106 E107R15-G109 PolarHBondContact NH1-O 3.38Å; F105-G109 PolarHBondContact O-N 3.27Å; K106-G109 PolarHBondContact O-N 3.36Å; E107-G109 VanDerWaalsContact C-N 3.25Å; E107-G109 PolarHBondContact O-N 2.75Å
110L86.5Confident90.8Very high29 Ų2978 Ų7815%0.15236%0.363CS..  trans-122.30177-63.7172.7000111.4R15 V16 L39 N46 L81 F105 A108R15-L110 HydrophobicContact CB-CD2 4.19Å; V16-L110 HydrophobicContact CG2-CD1 3.34Å; L39-L110 HydrophobicContact CD2-CB 3.98Å; L39-L110 HydrophobicContact CD2-CD1 4.48Å; N46-L110 HydrophobicContact CB-CD2 3.67Å; N46-L110 VanDerWaalsContact CG-CD2 3.41Å; N46-L110 WeakPolarHBondContact ND2-CD2 3.05Å; L81-L110 HydrophobicContact CD1-CD1 3.59Å; F105-L110 HydrophobicContact CB-CB 4.08Å; F105-L110 HydrophobicContact CD1-CD1 3.78Å; F105-L110 HydrophobicContact CE1-CD1 4.4Å; F105-L110 WeakPolarHBondContact O-CB 3.36Å; F105-L110 PolarHBondContact O-N 2.74Å; A108-L110 HydrophobicContact CB-CD1 3.92Å; A108-L110 HydrophobicContact CB-CG 4.04Å

Retrieved 110 of 110 residues in 48.9 ms (Link to these results)

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