A0A077ZIS4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M54.3Low69.4Low231 Ų231108.1 Ų108.1100%1.13854%0.538SS*.  0122.40-175.7176.5-93.700106.9E3M1-E3 PolarHBondContact O-N 2.74Å
2C62.5Low70.5Confident111 Ų111109.4 Ų109.475%0.7556%0.556SS**PPolyproline II helixtrans-66.9123.1173.7-73.10000108.3
3E66.3Low71.6Confident130 Ų130106.5 Ų106.561%0.60754%0.541SS*.PPolyproline II helixtrans-63.7136.9177.4-71165.4147.700109.8M1 Y5 R6M1-E3 PolarHBondContact O-N 2.74Å; E3-Y5 PolarHBondContact O-N 2.92Å; E3-R6 HydrophobicContact CB-CB 4.38Å; E3-R6 VanDerWaalsContact O-CB 3.29Å; E3-R6 WeakPolarHBondContact O-CB 3.34Å; E3-R6 PolarHBondContact O-N 2.83Å; E3-R6 VanDerWaalsContact O-N 3.15Å; E3-R6 IonicContact OE2-NE 3.77Å; E3-R6 IonicContact OE2-NH2 3.44Å; E3-R6 PolarHBondContact OE2-NH2 3.46Å
4R68.1Low72.7Confident149 Ų149101.5 Ų101.556%0.56252%0.52SS*.THydrogen-bonded Turntrans-63.5134.1178.1-167.5-176.3-71.2170.6-0.7108.4R6 T117R4-R6 PolarHBondContact O-N 3.25Å; R4-T117 HydrophobicContact CB-CG2 4.49Å
5Y65.7Low73.8Confident35 Ų35102 Ų10214%0.13752%0.524CS..THydrogen-bonded Turntrans64.618.6-175.5-45.5-62.5000114.9E3 D7 I8 L9 L84 L115 T117E3-Y5 PolarHBondContact O-N 2.92Å; Y5-D7 PolarHBondContact O-N 3.49Å; Y5-D7 VanDerWaalsContact O-N 3.15Å; Y5-I8 HydrophobicContact CD1-CD1 3.94Å; Y5-I8 HydrophobicContact CG-CD1 4.5Å; Y5-I8 PolarHBondContact O-N 3.02Å; Y5-L9 WeakPolarHBondContact O-CB 3.36Å; Y5-L9 WeakPolarHBondContact O-CG 3.46Å; Y5-L9 PolarHBondContact O-N 3.12Å; Y5-L84 HydrophobicContact CD1-CD2 3.82Å; Y5-L84 HydrophobicContact CE1-CD2 3.55Å; Y5-L115 VanDerWaalsContact CZ-O 3.26Å; Y5-L115 PolarHBondContact OH-O 2.9Å; Y5-T117 HydrophobicContact CE2-CG2 4.19Å
6R71.5Confident74.8Confident128 Ų12896.4 Ų96.448%0.48349%0.494SS..Hα-helixtrans-50-42.1177.1176.2-179.9-76.3-163.2-6.5111.7E3 R4 I8 L9 S10E3-R6 HydrophobicContact CB-CB 4.38Å; E3-R6 VanDerWaalsContact O-CB 3.29Å; E3-R6 WeakPolarHBondContact O-CB 3.34Å; E3-R6 PolarHBondContact O-N 2.83Å; E3-R6 VanDerWaalsContact O-N 3.15Å; E3-R6 IonicContact OE2-NE 3.77Å; E3-R6 IonicContact OE2-NH2 3.44Å; E3-R6 PolarHBondContact OE2-NH2 3.46Å; R4-R6 PolarHBondContact O-N 3.25Å; R6-I8 PolarHBondContact O-N 2.88Å; R6-L9 PolarHBondContact O-N 2.82Å; R6-S10 WeakPolarHBondContact O-CA 3.37Å; R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 2.82Å; R6-S10 PolarHBondContact O-OG 2.79Å
7D72.9Confident75.8Confident73 Ų7390.8 Ų90.839%0.3947%0.466SS..Hα-helixtrans-53.6-52.7176.658.6-39.4000111.3Y5 S10 M11Y5-D7 PolarHBondContact O-N 3.49Å; Y5-D7 VanDerWaalsContact O-N 3.15Å; D7-S10 PolarHBondContact O-N 2.99Å; D7-S10 PolarHBondContact O-OG 3.35Å; D7-M11 WeakPolarHBondContact O-CG 3.26Å; D7-M11 PolarHBondContact O-N 3.5Å
8I71Confident76.6Confident46 Ų4689.9 Ų89.924%0.23646%0.461CS..Hα-helixtrans-70.2-44-178.6-55.4166.9000111.7Y5 R6 S10 M11 P80 L84Y5-I8 HydrophobicContact CD1-CD1 3.94Å; Y5-I8 HydrophobicContact CG-CD1 4.5Å; Y5-I8 PolarHBondContact O-N 3.02Å; R6-I8 PolarHBondContact O-N 2.88Å; I8-S10 PolarHBondContact O-N 2.89Å; I8-M11 WeakPolarHBondContact O-CB 3.49Å; I8-M11 PolarHBondContact O-N 3.39Å; I8-M11 VanDerWaalsContact O-N 3.1Å; I8-P80 HydrophobicContact CD1-CG 4.29Å; I8-P80 HydrophobicContact CG1-CG 4.05Å; I8-P80 HydrophobicContact CG2-CG 4.26Å; I8-L84 HydrophobicContact CD1-CD1 3.17Å; I8-L84 HydrophobicContact CD1-CD2 3.73Å; I8-L84 HydrophobicContact CD1-CG 3.63Å; I8-L84 HydrophobicContact CG1-CD1 4.29Å
9L72.2Confident77.2Confident137 Ų13787.9 Ų87.972%0.71745%0.452SS*.Hα-helixtrans-68.2-25.9179.7-64.5175.6000111.7Y5 R6Y5-L9 WeakPolarHBondContact O-CB 3.36Å; Y5-L9 WeakPolarHBondContact O-CG 3.46Å; Y5-L9 PolarHBondContact O-N 3.12Å; R6-L9 PolarHBondContact O-N 2.82Å
10S79.8Confident77.8Confident77 Ų7783.6 Ų83.654%0.53843%0.429SS..THydrogen-bonded Turntrans-85.3-8173.572.10000113.6R6 D7 I8 T12R6-S10 WeakPolarHBondContact O-CA 3.37Å; R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 2.82Å; R6-S10 PolarHBondContact O-OG 2.79Å; D7-S10 PolarHBondContact O-N 2.99Å; D7-S10 PolarHBondContact O-OG 3.35Å; I8-S10 PolarHBondContact O-N 2.89Å; S10-T12 PolarHBondContact O-N 2.96Å; S10-T12 VanDerWaalsContact O-N 3.11Å
11M79Confident78.3Confident72 Ų7281.6 Ų81.636%0.35542%0.418SS..  trans-70.3110.1176.8-78.1173.565.100109.7D7 I8 I13 F75 P80D7-M11 WeakPolarHBondContact O-CG 3.26Å; D7-M11 PolarHBondContact O-N 3.5Å; I8-M11 WeakPolarHBondContact O-CB 3.49Å; I8-M11 PolarHBondContact O-N 3.39Å; I8-M11 VanDerWaalsContact O-N 3.1Å; M11-I13 PolarHBondContact O-N 2.81Å; M11-F75 HydrophobicContact CE-CD1 3.79Å; M11-F75 HydrophobicContact CE-CE1 3.47Å; M11-F75 VanDerWaalsContact CE-CE1 3.47Å; M11-F75 HydrophobicContact CE-CZ 4.32Å; M11-P80 HydrophobicContact CE-CB 4.17Å; M11-P80 HydrophobicContact SD-CB 4.03Å
12T82.7Confident79.8Confident124 Ų12475.3 Ų75.376%0.76139%0.393SS*.PPolyproline II helixtrans-77116.5168.1-47.70000108.7S10 P14S10-T12 PolarHBondContact O-N 2.96Å; S10-T12 VanDerWaalsContact O-N 3.11Å; T12-P14 WeakPolarHBondContact O-CD 3.19Å
13I85.1Confident80.2Confident71 Ų7170.6 Ų70.636%0.36436%0.361SS..PPolyproline II helixtrans-77.2123.4171-52.3-178.4000106.7M11 D15 V17 L18 F75M11-I13 PolarHBondContact O-N 2.81Å; I13-D15 PolarHBondContact O-N 3.42Å; I13-V17 HydrophobicContact CG2-CB 4.12Å; I13-V17 HydrophobicContact CG2-CG1 4.26Å; I13-L18 HydrophobicContact CG2-CD2 4.21Å; I13-L18 HydrophobicContact CG2-CG 4.14Å; I13-F75 HydrophobicContact CB-CD1 4.34Å; I13-F75 HydrophobicContact CB-CE1 4.32Å; I13-F75 HydrophobicContact CD1-CD1 4.33Å; I13-F75 HydrophobicContact CG1-CD1 3.72Å; I13-F75 HydrophobicContact CG1-CE1 3.9Å; I13-F75 HydrophobicContact CG1-CG 4.49Å; I13-F75 HydrophobicContact CG2-CD1 4.24Å; I13-F75 HydrophobicContact CG2-CE1 4.49Å; I13-F75 HydrophobicContact CG2-CG 4.24Å
14P87.4Confident80.3Confident37 Ų3772.6 Ų72.624%0.2438%0.375CS..PPolyproline II helixtrans-61.9136.8175.8-19.630.8000110.8T12 W16 V17 V71 F75T12-P14 WeakPolarHBondContact O-CD 3.19Å; P14-W16 HydrophobicContact CB-CD2 4.41Å; P14-W16 HydrophobicContact CB-CG 4.27Å; P14-W16 VanDerWaalsContact CB-NE1 3.31Å; P14-W16 PolarHBondContact O-N 3.49Å; P14-V17 HydrophobicContact CB-CG2 4.1Å; P14-V17 HydrophobicContact CG-CG2 4.13Å; P14-V17 WeakPolarHBondContact O-CB 3.38Å; P14-V17 PolarHBondContact O-N 3.21Å; P14-V71 HydrophobicContact CG-CG1 4.44Å; P14-F75 HydrophobicContact CG-CE2 4.44Å
15D88.8Confident80Confident109 Ų10968 Ų6858%0.58337%0.368SS*.Hα-helixtrans-57.7-36.3-176.4-66.3-29.7000112.4I13 V17 L18 D19I13-D15 PolarHBondContact O-N 3.42Å; D15-V17 PolarHBondContact O-N 2.86Å; D15-L18 PolarHBondContact O-N 3Å; D15-D19 PolarHBondContact O-N 3.49Å
16W90.2Very high80.2Confident13 Ų1375.9 Ų75.95%0.04941%0.406CS..Hα-helixtrans-65.2-19.217766.4-100.2000113.5P14 L18 D19 P20 C23 V27 L35 W56 L68 V71P14-W16 HydrophobicContact CB-CD2 4.41Å; P14-W16 HydrophobicContact CB-CG 4.27Å; P14-W16 VanDerWaalsContact CB-NE1 3.31Å; P14-W16 PolarHBondContact O-N 3.49Å; W16-L18 VanDerWaalsContact C-N 3.34Å; W16-D19 CarbonylContact O-C 3.51Å; W16-P20 WeakPolarHBondContact O-CA 3.47Å; W16-P20 WeakPolarHBondContact O-CD 3.45Å; W16-P20 VanDerWaalsContact O-CG 3.25Å; W16-P20 WeakPolarHBondContact O-CG 3.27Å; W16-P20 VanDerWaalsContact O-N 3.07Å; W16-C23 HydrophobicContact CB-CB 3.7Å; W16-C23 PolarHBondContact N-SG 3.32Å; W16-C23 VanDerWaalsContact N-SG 3.43Å; W16-V27 HydrophobicContact CG-CG2 4.25Å; W16-L35 HydrophobicContact CB-CD1 4.26Å; W16-L35 HydrophobicContact CB-CD2 3.98Å; W16-L35 HydrophobicContact CE3-CD1 4.33Å; W16-L35 HydrophobicContact CG-CD2 4.17Å; W16-W56 AromaticContact CE3-CH2 3.94Å; W16-W56 HydrophobicContact CE3-CH2 3.94Å; W16-W56 AromaticContact CE3-CZ2 3.87Å; W16-W56 HydrophobicContact CE3-CZ2 3.87Å; W16-W56 AromaticContact CZ3-CH2 3.53Å; W16-W56 HydrophobicContact CZ3-CH2 3.53Å; W16-W56 AromaticContact CZ3-CZ2 3.73Å; W16-W56 HydrophobicContact CZ3-CZ2 3.73Å; W16-W56 HydrophobicContact CZ3-CZ3 4.46Å; W16-L68 HydrophobicContact CE3-CD2 4.15Å; W16-L68 HydrophobicContact CH2-CB 4.16Å; W16-L68 HydrophobicContact CH2-CD2 3.56Å; W16-L68 HydrophobicContact CH2-CG 4.47Å; W16-L68 HydrophobicContact CZ2-CD2 4.12Å; W16-L68 HydrophobicContact CZ3-CB 3.97Å; W16-L68 HydrophobicContact CZ3-CD2 3.61Å; W16-L68 HydrophobicContact CZ3-CG 4.31Å; W16-V71 HydrophobicContact CH2-CB 3.74Å; W16-V71 HydrophobicContact CH2-CG1 3.87Å; W16-V71 HydrophobicContact CH2-CG2 4.36Å; W16-V71 HydrophobicContact CZ2-CB 4.01Å; W16-V71 HydrophobicContact CZ2-CG1 3.74Å; W16-V71 HydrophobicContact CZ2-CG2 4.4Å
17V90.9Very high80.6Confident1 Ų170.5 Ų70.51%0.00639%0.388CS..Hα-helixtrans-72.9-33.2172.1176.80000110.3I13 P14 D15 W56 V71 A72 F75I13-V17 HydrophobicContact CG2-CB 4.12Å; I13-V17 HydrophobicContact CG2-CG1 4.26Å; P14-V17 HydrophobicContact CB-CG2 4.1Å; P14-V17 HydrophobicContact CG-CG2 4.13Å; P14-V17 WeakPolarHBondContact O-CB 3.38Å; P14-V17 PolarHBondContact O-N 3.21Å; D15-V17 PolarHBondContact O-N 2.86Å; V17-W56 PolarHBondContact O-NE1 3.3Å; V17-V71 HydrophobicContact CG2-CG1 4.45Å; V17-A72 HydrophobicContact CG1-CB 4.08Å; V17-A72 HydrophobicContact CG2-CB 4.49Å; V17-F75 HydrophobicContact CG1-CD2 4.34Å; V17-F75 HydrophobicContact CG2-CD2 4.48Å
18L89.8Confident81.2Confident74 Ų7473.3 Ų73.339%0.38740%0.398SS..Hα-helixtrans-83-39.2178.7-60.8178.2000111.7I13 D15 W16 M48 Y52I13-L18 HydrophobicContact CG2-CD2 4.21Å; I13-L18 HydrophobicContact CG2-CG 4.14Å; D15-L18 PolarHBondContact O-N 3Å; W16-L18 VanDerWaalsContact C-N 3.34Å; L18-M48 WeakPolarHBondContact O-CE 3.31Å; L18-Y52 HydrophobicContact CD2-CD1 4.32Å; L18-Y52 HydrophobicContact CD2-CE1 4.32Å; L18-Y52 HydrophobicContact CD2-CG 4.48Å
19D89.5Confident81.9Confident53 Ų5376.3 Ų76.328%0.28342%0.419SS..  trans-143.791.9174.9-168.3-11.8000111.3D15 W16 F21 T22 C23D15-D19 PolarHBondContact O-N 3.49Å; W16-D19 CarbonylContact O-C 3.51Å; D19-F21 PolarHBondContact O-N 3.01Å; D19-F21 PolarHBondContact OD1-N 3.22Å; D19-F21 VanDerWaalsContact OD1-N 3.11Å; D19-T22 WeakPolarHBondContact CB-OG1 3.37Å; D19-T22 PolarHBondContact OD1-N 3.24Å; D19-T22 WeakPolarHBondContact OD2-CB 3.4Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.34Å; D19-T22 PolarHBondContact OD2-OG1 2.87Å; D19-C23 WeakPolarHBondContact O-CB 3.47Å; D19-C23 PolarHBondContact O-N 3.23Å
20P88.2Confident82.6Confident0 Ų072 Ų720%040%0.403CS..THydrogen-bonded Turntrans-62.6-24.6-179.4-16.125.3000113W16 L35 M38 Q39 M48 F55 W56W16-P20 WeakPolarHBondContact O-CA 3.47Å; W16-P20 WeakPolarHBondContact O-CD 3.45Å; W16-P20 VanDerWaalsContact O-CG 3.25Å; W16-P20 WeakPolarHBondContact O-CG 3.27Å; W16-P20 VanDerWaalsContact O-N 3.07Å; P20-L35 HydrophobicContact CB-CD1 4.21Å; P20-M38 HydrophobicContact CB-SD 3.84Å; P20-M38 HydrophobicContact CG-SD 4.32Å; P20-Q39 WeakPolarHBondContact O-CG 3.13Å; P20-Q39 PolarHBondContact O-NE2 3.13Å; P20-M48 VanDerWaalsContact CD-CE 3.49Å; P20-F55 HydrophobicContact CG-CD1 4.24Å; P20-F55 HydrophobicContact CG-CE1 3.78Å; P20-F55 HydrophobicContact CG-CZ 4.4Å; P20-W56 HydrophobicContact CG-CH2 4.32Å; P20-W56 HydrophobicContact CG-CZ2 3.71Å
21F89.4Confident83.1Confident42 Ų4271.3 Ų71.318%0.18439%0.389CS..THydrogen-bonded Turntrans-95.2-19.4-168.7-63.3-81.3000114D19 M38 L44 K45 M48 F55D19-F21 PolarHBondContact O-N 3.01Å; D19-F21 PolarHBondContact OD1-N 3.22Å; D19-F21 VanDerWaalsContact OD1-N 3.11Å; F21-M38 WeakPolarHBondContact CE1-O 3.32Å; F21-M38 HydrophobicContact CZ-CG 4.4Å; F21-L44 HydrophobicContact CE1-CB 4.28Å; F21-L44 HydrophobicContact CZ-CB 3.68Å; F21-K45 HydrophobicContact CD1-CD 4.43Å; F21-K45 HydrophobicContact CD1-CG 3.61Å; F21-K45 HydrophobicContact CE1-CG 3.66Å; F21-K45 HydrophobicContact CG-CG 4.15Å; F21-K45 HydrophobicContact CZ-CG 4.26Å; F21-M48 HydrophobicContact CD2-CB 4.17Å; F21-M48 HydrophobicContact CD2-CG 4.17Å; F21-M48 HydrophobicContact CE2-CB 3.95Å; F21-M48 HydrophobicContact CE2-CG 4.28Å; F21-F55 AromaticContact CE2-CE2 3.85Å; F21-F55 HydrophobicContact CE2-CE2 3.85Å; F21-F55 AromaticContact CE2-CZ 3.92Å; F21-F55 HydrophobicContact CE2-CZ 3.92Å; F21-F55 HydrophobicContact CZ-CE2 4.04Å; F21-F55 HydrophobicContact CZ-CZ 4.04Å
22T84Confident83.6Confident100 Ų10071.6 Ų71.661%0.61339%0.39SS*.THydrogen-bonded Turntrans-104.5-13.3177.463.70000113.1D19 L24D19-T22 WeakPolarHBondContact CB-OG1 3.37Å; D19-T22 PolarHBondContact OD1-N 3.24Å; D19-T22 WeakPolarHBondContact OD2-CB 3.4Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.34Å; D19-T22 PolarHBondContact OD2-OG1 2.87Å; T22-L24 PolarHBondContact O-N 3.39Å
23C71.6Confident84Confident12 Ų1272.1 Ų72.18%0.08138%0.383CS..  trans-74.5115.8-177.1-166.70000112W16 D19 A25 Q39W16-C23 HydrophobicContact CB-CB 3.7Å; W16-C23 PolarHBondContact N-SG 3.32Å; W16-C23 VanDerWaalsContact N-SG 3.43Å; D19-C23 WeakPolarHBondContact O-CB 3.47Å; D19-C23 PolarHBondContact O-N 3.23Å; C23-A25 WeakPolarHBondContact SG-CB 3.34Å; C23-Q39 PolarHBondContact O-NE2 2.94Å
24L67.8Low84.4Confident172 Ų17269.3 Ų69.390%0.90137%0.369SS*.  trans-999170.2-64.4174.4000112.5T22T22-L24 PolarHBondContact O-N 3.39Å
25A62.8Low84.6Confident51 Ų5167.9 Ų67.942%0.42136%0.359SS..SBendtrans-62.8155.2-17000000111.8C23 V27C23-A25 WeakPolarHBondContact SG-CB 3.34Å; A25-V27 WeakPolarHBondContact O-CG2 3.33Å; A25-V27 PolarHBondContact O-N 2.88Å
26E69.8Low84.7Confident201 Ų20167.8 Ų67.894%0.93936%0.358SS*.  trans-62.983.2169.8-72.8-178168.500109.7
27V80.2Confident84.9Confident15 Ų1573 Ų739%0.09138%0.382CS..  trans-74.3140.9171-177.80000107.8W16 A25 V29 Y31 Q32 L35W16-V27 HydrophobicContact CG-CG2 4.25Å; A25-V27 WeakPolarHBondContact O-CG2 3.33Å; A25-V27 PolarHBondContact O-N 2.88Å; V27-V29 PolarHBondContact O-N 3.35Å; V27-Y31 HydrophobicContact CG1-CD2 4.04Å; V27-Y31 HydrophobicContact CG1-CG 4.36Å; V27-Q32 HydrophobicContact CB-CG 4.18Å; V27-Q32 WeakPolarHBondContact O-CG 3.5Å; V27-Q32 PolarHBondContact O-NE2 3.27Å; V27-L35 HydrophobicContact CB-CD2 4.37Å; V27-L35 HydrophobicContact CG1-CD2 4.48Å; V27-L35 HydrophobicContact CG2-CD2 3.62Å
28E84.8Confident84.9Confident132 Ų13272.9 Ų72.962%0.61738%0.382SS*.  trans-53.6136.1174.1-169.9173.4-16500110.2A30 Y31 Q32E28-A30 PolarHBondContact O-N 3.4Å; E28-Y31 HydrophobicContact CB-CD2 3.87Å; E28-Y31 HydrophobicContact CB-CE2 3.92Å; E28-Y31 HydrophobicContact CG-CE2 4.49Å; E28-Y31 PolarHBondContact O-N 2.89Å; E28-Y31 WeakPolarHBondContact OE2-CE2 3.31Å; E28-Q32 PolarHBondContact O-N 3.08Å
29V86.4Confident85Confident110 Ų11071.7 Ų71.767%0.66737%0.374SS*.Hα-helixtrans-50.3-31.9-172.4178.90000112.4V27 Y31 Q32V27-V29 PolarHBondContact O-N 3.35Å; V29-Y31 PolarHBondContact O-N 2.83Å; V29-Y31 VanDerWaalsContact O-N 3.12Å; V29-Q32 PolarHBondContact O-N 3.44Å
30A87.4Confident85.1Confident47 Ų4772.6 Ų72.639%0.38839%0.389SS..Hα-helixtrans-58.3-23.517800000115.2E28 R67E28-A30 PolarHBondContact O-N 3.4Å; A30-R67 PolarHBondContact O-NH1 3.15Å
31Y89.4Confident85.3Confident61 Ų6174.5 Ų74.524%0.23940%0.399CS..Hα-helixtrans-114.7-11.5-177-44.3-65.3000113.9V27 E28 V29 E33 E34 L35 R67 V71V27-Y31 HydrophobicContact CG1-CD2 4.04Å; V27-Y31 HydrophobicContact CG1-CG 4.36Å; E28-Y31 HydrophobicContact CB-CD2 3.87Å; E28-Y31 HydrophobicContact CB-CE2 3.92Å; E28-Y31 HydrophobicContact CG-CE2 4.49Å; E28-Y31 PolarHBondContact O-N 2.89Å; E28-Y31 WeakPolarHBondContact OE2-CE2 3.31Å; V29-Y31 PolarHBondContact O-N 2.83Å; V29-Y31 VanDerWaalsContact O-N 3.12Å; Y31-E33 VanDerWaalsContact C-N 3.34Å; Y31-E33 PolarHBondContact O-N 3.49Å; Y31-E34 PolarHBondContact O-N 3.21Å; Y31-L35 WeakPolarHBondContact O-CB 3.16Å; Y31-L35 PolarHBondContact O-N 2.79Å; Y31-R67 HydrophobicContact CD1-CB 4.01Å; Y31-R67 HydrophobicContact CE1-CB 4.36Å; Y31-V71 HydrophobicContact CD1-CG2 4.44Å; Y31-V71 HydrophobicContact CE1-CG2 3.82Å; Y31-V71 HydrophobicContact CE2-CG2 4.48Å
32Q89.4Confident85.3Confident79 Ų7978.2 Ų78.237%0.36942%0.417SS..Hα-helixtrans-59.3-43.3-175.4-73.3-178.3-8.500112.2V27 E28 V29 L35 I36V27-Q32 HydrophobicContact CB-CG 4.18Å; V27-Q32 WeakPolarHBondContact O-CG 3.5Å; V27-Q32 PolarHBondContact O-NE2 3.27Å; E28-Q32 PolarHBondContact O-N 3.08Å; V29-Q32 PolarHBondContact O-N 3.44Å; Q32-L35 PolarHBondContact O-N 3.27Å; Q32-I36 WeakPolarHBondContact O-CB 3.4Å; Q32-I36 WeakPolarHBondContact O-CD1 3.22Å; Q32-I36 WeakPolarHBondContact O-CG1 3.49Å; Q32-I36 PolarHBondContact O-N 2.99Å
33E91.1Very high85.6Confident134 Ų13480 Ų8063%0.62642%0.419SS*.Hα-helixtrans-58.7-53.8179.9-66177.5162.800112.1Y31 L35 I36 E37 R67Y31-E33 VanDerWaalsContact C-N 3.34Å; Y31-E33 PolarHBondContact O-N 3.49Å; E33-L35 VanDerWaalsContact C-N 3.26Å; E33-L35 PolarHBondContact O-N 3Å; E33-I36 PolarHBondContact O-N 3.15Å; E33-E37 WeakPolarHBondContact O-CB 3.34Å; E33-E37 PolarHBondContact O-N 2.92Å; E33-R67 IonicContact OE2-NH1 2.79Å
34E92.5Very high86.6Confident13 Ų1379.5 Ų79.56%0.06142%0.415CS..Hα-helixtrans-63-34.7178.9-75.2-172.4-166.200111.5Y31 M38 Y65 R67 L68Y31-E34 PolarHBondContact O-N 3.21Å; E34-M38 VanDerWaalsContact O-CB 3.32Å; E34-M38 WeakPolarHBondContact O-CB 3.25Å; E34-M38 PolarHBondContact O-N 3.33Å; E34-Y65 HydrophobicContact CB-CD1 4.15Å; E34-Y65 WeakPolarHBondContact O-CD1 3.35Å; E34-Y65 WeakPolarHBondContact OE2-CA 3.42Å; E34-R67 WeakPolarHBondContact OE1-CB 3.28Å; E34-R67 WeakPolarHBondContact OE1-CD 3.41Å; E34-R67 WeakPolarHBondContact OE1-CG 3.43Å; E34-R67 IonicContact OE1-CZ 2.61Å; E34-R67 PolarHBondContact OE1-N 3.37Å; E34-R67 IonicContact OE1-NE 3.91Å; E34-R67 PolarHBondContact OE1-NE 3.18Å; E34-R67 IonicContact OE1-NH2 3.66Å; E34-R67 WeakPolarHBondContact OE2-CA 3.48Å; E34-R67 VanDerWaalsContact OE2-CB 3.27Å; E34-R67 WeakPolarHBondContact OE2-CB 3.35Å; E34-R67 PolarHBondContact OE2-N 3.45Å; E34-L68 HydrophobicContact CB-CD1 3.83Å; E34-L68 HydrophobicContact CB-CG 3.85Å; E34-L68 PolarHBondContact OE2-N 3.45Å; E34-L68 VanDerWaalsContact OE2-N 3.1Å
35L92.3Very high87.6Confident7 Ų775.2 Ų75.24%0.03739%0.389CS..Hα-helixtrans-71.3-43-179.6-171.964.4000111.5W16 P20 V27 Y31 Q32 E33 E37 M38 Q39 L68W16-L35 HydrophobicContact CB-CD1 4.26Å; W16-L35 HydrophobicContact CB-CD2 3.98Å; W16-L35 HydrophobicContact CE3-CD1 4.33Å; W16-L35 HydrophobicContact CG-CD2 4.17Å; P20-L35 HydrophobicContact CB-CD1 4.21Å; V27-L35 HydrophobicContact CB-CD2 4.37Å; V27-L35 HydrophobicContact CG1-CD2 4.48Å; V27-L35 HydrophobicContact CG2-CD2 3.62Å; Y31-L35 WeakPolarHBondContact O-CB 3.16Å; Y31-L35 PolarHBondContact O-N 2.79Å; Q32-L35 PolarHBondContact O-N 3.27Å; E33-L35 VanDerWaalsContact C-N 3.26Å; E33-L35 PolarHBondContact O-N 3Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-M38 PolarHBondContact O-N 3.45Å; L35-Q39 HydrophobicContact CG-CG 4.45Å; L35-Q39 WeakPolarHBondContact O-CB 3.38Å; L35-Q39 WeakPolarHBondContact O-CG 3.44Å; L35-Q39 PolarHBondContact O-N 3.46Å; L35-L68 HydrophobicContact CB-CD1 4.17Å; L35-L68 HydrophobicContact CB-CD2 4.24Å; L35-L68 HydrophobicContact CD1-CD1 4.11Å
36I91.6Very high88.9Confident107 Ų10776.4 Ų76.455%0.54939%0.392SS..Hα-helixtrans-62.7-44.1176-68.8164.1000110.1Q32 E33 M38 Q39 A40Q32-I36 WeakPolarHBondContact O-CB 3.4Å; Q32-I36 WeakPolarHBondContact O-CD1 3.22Å; Q32-I36 WeakPolarHBondContact O-CG1 3.49Å; Q32-I36 PolarHBondContact O-N 2.99Å; E33-I36 PolarHBondContact O-N 3.15Å; I36-M38 VanDerWaalsContact C-N 3.34Å; I36-M38 PolarHBondContact O-N 3.14Å; I36-Q39 PolarHBondContact O-N 3.09Å; I36-A40 WeakPolarHBondContact O-CB 3.47Å; I36-A40 PolarHBondContact O-N 3.49Å
37E93.1Very high89.8Confident121 Ų12170.1 Ų70.157%0.56536%0.362SS*.Hα-helixtrans-62.1-41.8176.9-174.1177.5-171.500111.8E33 L35 A40 N41 Y65E33-E37 WeakPolarHBondContact O-CB 3.34Å; E33-E37 PolarHBondContact O-N 2.92Å; L35-E37 VanDerWaalsContact C-N 3.34Å; E37-A40 PolarHBondContact O-N 2.87Å; E37-N41 PolarHBondContact O-N 2.94Å; E37-Y65 HydrophobicContact CB-CE1 4.18Å; E37-Y65 HydrophobicContact CG-CE1 4.06Å
38M92.4Very high90.2Very high0 Ų070.7 Ų70.70%036%0.364CS..Hα-helixtrans-63.7-44.4173.9-178.7-175.2-69.500112P20 F21 E34 L35 I36 A40 N41 L44 F55 W56 I61 Y65 L68P20-M38 HydrophobicContact CB-SD 3.84Å; P20-M38 HydrophobicContact CG-SD 4.32Å; F21-M38 WeakPolarHBondContact CE1-O 3.32Å; F21-M38 HydrophobicContact CZ-CG 4.4Å; E34-M38 VanDerWaalsContact O-CB 3.32Å; E34-M38 WeakPolarHBondContact O-CB 3.25Å; E34-M38 PolarHBondContact O-N 3.33Å; L35-M38 PolarHBondContact O-N 3.45Å; I36-M38 VanDerWaalsContact C-N 3.34Å; I36-M38 PolarHBondContact O-N 3.14Å; M38-A40 VanDerWaalsContact C-N 3.3Å; M38-A40 PolarHBondContact O-N 3.38Å; M38-N41 WeakPolarHBondContact O-CB 3.39Å; M38-N41 PolarHBondContact O-N 3.31Å; M38-N41 VanDerWaalsContact O-N 3.11Å; M38-L44 HydrophobicContact CG-CD1 3.97Å; M38-F55 HydrophobicContact CE-CE1 4.35Å; M38-F55 HydrophobicContact CE-CZ 4.39Å; M38-F55 HydrophobicContact CG-CZ 4.32Å; M38-F55 HydrophobicContact SD-CE1 3.82Å; M38-F55 HydrophobicContact SD-CZ 3.71Å; M38-W56 HydrophobicContact CE-CH2 3.94Å; M38-W56 HydrophobicContact CE-CZ3 3.76Å; M38-W56 HydrophobicContact SD-CH2 4.07Å; M38-W56 HydrophobicContact SD-CZ3 4.43Å; M38-I61 HydrophobicContact CE-CD1 4.38Å; M38-I61 HydrophobicContact CE-CG2 4.09Å; M38-Y65 HydrophobicContact CB-CD1 4.21Å; M38-Y65 HydrophobicContact CB-CD2 4.48Å; M38-Y65 HydrophobicContact CB-CE1 3.88Å; M38-Y65 HydrophobicContact CB-CE2 4.16Å; M38-Y65 HydrophobicContact CB-CG 4.48Å; M38-Y65 HydrophobicContact CE-CD1 4.22Å; M38-Y65 HydrophobicContact CE-CD2 3.27Å; M38-Y65 HydrophobicContact CE-CE2 3.91Å; M38-Y65 HydrophobicContact CE-CG 3.45Å; M38-Y65 VanDerWaalsContact CE-CG 3.45Å; M38-Y65 HydrophobicContact CG-CD2 4.49Å; M38-Y65 HydrophobicContact CG-CE2 4.21Å; M38-L68 HydrophobicContact CE-CD1 3.57Å; M38-L68 HydrophobicContact SD-CD1 4.21Å
39Q91.6Very high90.4Very high48 Ų4873.4 Ų73.422%0.22437%0.374CS..Hα-helixtrans-64.2-35.4179.8-77177.3-15.400112.4P20 C23 L35 I36 N41P20-Q39 WeakPolarHBondContact O-CG 3.13Å; P20-Q39 PolarHBondContact O-NE2 3.13Å; C23-Q39 PolarHBondContact O-NE2 2.94Å; L35-Q39 HydrophobicContact CG-CG 4.45Å; L35-Q39 WeakPolarHBondContact O-CB 3.38Å; L35-Q39 WeakPolarHBondContact O-CG 3.44Å; L35-Q39 PolarHBondContact O-N 3.46Å; I36-Q39 PolarHBondContact O-N 3.09Å; Q39-N41 PolarHBondContact O-N 3.44Å
40A91.2Very high90.4Very high72 Ų7270.9 Ų70.960%0.59537%0.37SS*.Hα-helixtrans-72.5-16.3175.600000113.1I36 E37 M38 E42I36-A40 WeakPolarHBondContact O-CB 3.47Å; I36-A40 PolarHBondContact O-N 3.49Å; E37-A40 PolarHBondContact O-N 2.87Å; M38-A40 VanDerWaalsContact C-N 3.3Å; M38-A40 PolarHBondContact O-N 3.38Å; A40-E42 PolarHBondContact O-N 2.77Å
41N91.8Very high90.6Very high40 Ų4070.2 Ų70.221%0.21437%0.367CS..  trans-8397.4179.7-169-23.3000111.5E37 M38 Q39 E43 L44E37-N41 PolarHBondContact O-N 2.94Å; M38-N41 WeakPolarHBondContact O-CB 3.39Å; M38-N41 PolarHBondContact O-N 3.31Å; M38-N41 VanDerWaalsContact O-N 3.11Å; Q39-N41 PolarHBondContact O-N 3.44Å; N41-E43 PolarHBondContact O-N 3.23Å; N41-E43 WeakPolarHBondContact OD1-CB 3.31Å; N41-E43 PolarHBondContact OD1-N 3.07Å; N41-L44 HydrophobicContact CB-CD1 3.9Å; N41-L44 HydrophobicContact CB-CG 4.07Å; N41-L44 PolarHBondContact O-N 3.06Å
42E90.2Very high90.6Very high121 Ų12172.1 Ų72.157%0.56538%0.375SS*.THydrogen-bonded Turntrans-62.1-25178.4-63.4-61.5145.300113.6A40 L44 K45 P46A40-E42 PolarHBondContact O-N 2.77Å; E42-L44 PolarHBondContact O-N 2.93Å; E42-K45 WeakPolarHBondContact OE1-CE 3.46Å; E42-K45 IonicContact OE1-NZ 2.77Å; E42-K45 PolarHBondContact OE1-NZ 3.36Å; E42-K45 VanDerWaalsContact OE2-CD 3.29Å; E42-K45 WeakPolarHBondContact OE2-CD 3.26Å; E42-K45 VanDerWaalsContact OE2-CE 3.3Å; E42-K45 WeakPolarHBondContact OE2-CE 3.29Å; E42-K45 IonicContact OE2-NZ 3.92Å; E42-K45 PolarHBondContact OE2-NZ 3.49Å; E42-P46 VanDerWaalsContact O-CD 3.23Å; E42-P46 WeakPolarHBondContact O-CD 3.42Å
43E91.3Very high90.7Very high137 Ų13771.2 Ų71.264%0.6438%0.375SS*.THydrogen-bonded Turntrans-70.9-22.9179.5-57-171166.800112.5N41 P46N41-E43 PolarHBondContact O-N 3.23Å; N41-E43 WeakPolarHBondContact OD1-CB 3.31Å; N41-E43 PolarHBondContact OD1-N 3.07Å; E43-P46 WeakPolarHBondContact O-CD 3.4Å; E43-P46 WeakPolarHBondContact O-CG 3.42Å
44L91.1Very high90.7Very high1 Ų167.3 Ų67.31%0.00536%0.363CS..THydrogen-bonded Turntrans-84.5-28.5-179.3-64.6-178.6000113F21 M38 N41 E42 K47 M48 F55 I61 Y65F21-L44 HydrophobicContact CE1-CB 4.28Å; F21-L44 HydrophobicContact CZ-CB 3.68Å; M38-L44 HydrophobicContact CG-CD1 3.97Å; N41-L44 HydrophobicContact CB-CD1 3.9Å; N41-L44 HydrophobicContact CB-CG 4.07Å; N41-L44 PolarHBondContact O-N 3.06Å; E42-L44 PolarHBondContact O-N 2.93Å; L44-K47 HydrophobicContact CD2-CD 4.13Å; L44-K47 WeakPolarHBondContact O-CA 3.35Å; L44-K47 WeakPolarHBondContact O-CB 3.28Å; L44-K47 PolarHBondContact O-N 3.48Å; L44-M48 PolarHBondContact O-N 3.43Å; L44-F55 HydrophobicContact CB-CE2 4.16Å; L44-I61 HydrophobicContact CD1-CD1 3.7Å; L44-I61 HydrophobicContact CD2-CD1 3.75Å; L44-I61 HydrophobicContact CG-CD1 4.31Å; L44-Y65 HydrophobicContact CD1-CE2 3.65Å
45K89.1Confident90.7Very high83 Ų8366.7 Ų66.736%0.36136%0.36SS..G310 helixtrans-51.9-48.7177.9-69-174.1-172.9168.90114.4F21 E42 K47 M48F21-K45 HydrophobicContact CD1-CD 4.43Å; F21-K45 HydrophobicContact CD1-CG 3.61Å; F21-K45 HydrophobicContact CE1-CG 3.66Å; F21-K45 HydrophobicContact CG-CG 4.15Å; F21-K45 HydrophobicContact CZ-CG 4.26Å; E42-K45 WeakPolarHBondContact OE1-CE 3.46Å; E42-K45 IonicContact OE1-NZ 2.77Å; E42-K45 PolarHBondContact OE1-NZ 3.36Å; E42-K45 VanDerWaalsContact OE2-CD 3.29Å; E42-K45 WeakPolarHBondContact OE2-CD 3.26Å; E42-K45 VanDerWaalsContact OE2-CE 3.3Å; E42-K45 WeakPolarHBondContact OE2-CE 3.29Å; E42-K45 IonicContact OE2-NZ 3.92Å; E42-K45 PolarHBondContact OE2-NZ 3.49Å; K45-K47 PolarHBondContact O-N 3.22Å; K45-M48 WeakPolarHBondContact O-CB 3.4Å; K45-M48 PolarHBondContact O-N 3.14Å
46P89.6Confident90.8Very high75 Ų7566.4 Ų66.449%0.48736%0.358SS..G310 helixtrans-64.6-28.1177.725-34.4000112.5E42 E43 M48 K49E42-P46 VanDerWaalsContact O-CD 3.23Å; E42-P46 WeakPolarHBondContact O-CD 3.42Å; E43-P46 WeakPolarHBondContact O-CD 3.4Å; E43-P46 WeakPolarHBondContact O-CG 3.42Å; P46-M48 VanDerWaalsContact C-N 3.27Å; P46-M48 PolarHBondContact O-N 3.44Å; P46-K49 WeakPolarHBondContact O-CB 3.05Å; P46-K49 WeakPolarHBondContact O-CG 3.4Å; P46-K49 PolarHBondContact O-N 3.46Å
47K89.4Confident90.8Very high69 Ų6966.6 Ų66.630%0.336%0.359SS..G310 helixtrans-69.8-26.8179.4-47.5-167.1-169.1179.40111.9L44 K45 K49 G50 F55 E60L44-K47 HydrophobicContact CD2-CD 4.13Å; L44-K47 WeakPolarHBondContact O-CA 3.35Å; L44-K47 WeakPolarHBondContact O-CB 3.28Å; L44-K47 PolarHBondContact O-N 3.48Å; K45-K47 PolarHBondContact O-N 3.22Å; K47-K49 PolarHBondContact O-N 2.68Å; K47-G50 PolarHBondContact O-N 3Å; K47-F55 HydrophobicContact CB-CD2 4.43Å; K47-E60 IonicContact NZ-OE2 2.62Å; K47-E60 PolarHBondContact NZ-OE2 3.33Å
48M88.7Confident90.8Very high28 Ų2863 Ų6314%0.13834%0.343CS..G310 helixtrans-65.8-20.4174.9-167.158.4-178.700113.4L18 P20 F21 L44 K45 P46 G50 G51 F55L18-M48 WeakPolarHBondContact O-CE 3.31Å; P20-M48 VanDerWaalsContact CD-CE 3.49Å; F21-M48 HydrophobicContact CD2-CB 4.17Å; F21-M48 HydrophobicContact CD2-CG 4.17Å; F21-M48 HydrophobicContact CE2-CB 3.95Å; F21-M48 HydrophobicContact CE2-CG 4.28Å; L44-M48 PolarHBondContact O-N 3.43Å; K45-M48 WeakPolarHBondContact O-CB 3.4Å; K45-M48 PolarHBondContact O-N 3.14Å; P46-M48 VanDerWaalsContact C-N 3.27Å; P46-M48 PolarHBondContact O-N 3.44Å; M48-G50 PolarHBondContact O-N 3.03Å; M48-G50 VanDerWaalsContact O-N 3.1Å; M48-G51 PolarHBondContact O-N 3.15Å; M48-F55 HydrophobicContact CB-CD2 4.24Å; M48-F55 HydrophobicContact SD-CB 3.56Å; M48-F55 VanDerWaalsContact SD-CB 3.56Å; M48-F55 HydrophobicContact SD-CD1 3.97Å; M48-F55 HydrophobicContact SD-CD2 3.97Å; M48-F55 HydrophobicContact SD-CG 3.55Å; M48-F55 VanDerWaalsContact SD-CG 3.55Å
49K87.9Confident90.8Very high189 Ų18969.8 Ų69.882%0.82238%0.375SS*.G310 helixtrans-60.7-21.3176.1-65.7-175.8177-179.40113.3P46 K47 G51P46-K49 WeakPolarHBondContact O-CB 3.05Å; P46-K49 WeakPolarHBondContact O-CG 3.4Å; P46-K49 PolarHBondContact O-N 3.46Å; K47-K49 PolarHBondContact O-N 2.68Å; K49-G51 PolarHBondContact O-N 3.03Å
50G87.2Confident90.9Very high57 Ų5771 Ų7159%0.58838%0.38SS*.G310 helixtrans-75.20172.400000114.5K47 M48 S54K47-G50 PolarHBondContact O-N 3Å; M48-G50 PolarHBondContact O-N 3.03Å; M48-G50 VanDerWaalsContact O-N 3.1Å; G50-S54 WeakPolarHBondContact CA-OG 3.36Å; G50-S54 PolarHBondContact O-OG 3.31Å
51G90.9Very high91Very high32 Ų3267.5 Ų67.533%0.3335%0.352SS..  trans87.8157.8-174.500000113.5M48 K49 T53 S54 F55M48-G51 PolarHBondContact O-N 3.15Å; K49-G51 PolarHBondContact O-N 3.03Å; G51-T53 VanDerWaalsContact C-N 3.29Å; G51-T53 PolarHBondContact O-N 3.13Å; G51-S54 PolarHBondContact O-N 2.73Å; G51-S54 PolarHBondContact O-OG 3.35Å; G51-F55 WeakPolarHBondContact O-CB 3.4Å; G51-F55 PolarHBondContact O-N 3.25Å
52Y90.8Very high91.1Very high102 Ų10273.1 Ų73.140%0.437%0.37SS..Hα-helixtrans-57.2-38.8-174.667.7-90.9000113.1L18 S54 F55 W56 L76L18-Y52 HydrophobicContact CD2-CD1 4.32Å; L18-Y52 HydrophobicContact CD2-CE1 4.32Å; L18-Y52 HydrophobicContact CD2-CG 4.48Å; Y52-S54 PolarHBondContact O-N 3.45Å; Y52-F55 WeakPolarHBondContact O-CB 3.16Å; Y52-F55 PolarHBondContact O-N 3.15Å; Y52-W56 PolarHBondContact O-N 3.34Å; Y52-L76 HydrophobicContact CD2-CD2 3.88Å; Y52-L76 HydrophobicContact CE2-CD2 3.9Å
53T90.3Very high91.3Very high59 Ų5973.6 Ų73.636%0.36237%0.372SS..Hα-helixtrans-61.8-47.9-179.5-52.80000111.8G51 F55 L57 L76G51-T53 VanDerWaalsContact C-N 3.29Å; G51-T53 PolarHBondContact O-N 3.13Å; T53-F55 VanDerWaalsContact C-N 3.32Å; T53-L57 HydrophobicContact CG2-CD1 3.87Å; T53-L57 WeakPolarHBondContact O-CB 3.39Å; T53-L57 WeakPolarHBondContact O-CD1 3.02Å; T53-L57 WeakPolarHBondContact O-CG 3.36Å; T53-L57 PolarHBondContact O-N 3.06Å; T53-L76 HydrophobicContact CG2-CD2 4.14Å
54S90.9Very high91.5Very high53 Ų5371.2 Ų71.237%0.37136%0.363SS..Hα-helixtrans-69.4-35.6178.966.90000111G50 G51 Y52 L57G50-S54 WeakPolarHBondContact CA-OG 3.36Å; G50-S54 PolarHBondContact O-OG 3.31Å; G51-S54 PolarHBondContact O-N 2.73Å; G51-S54 PolarHBondContact O-OG 3.35Å; Y52-S54 PolarHBondContact O-N 3.45Å; S54-L57 PolarHBondContact O-N 3.09Å
55F94Very high91.7Very high0 Ų071.3 Ų71.30%036%0.363CS..Hα-helixtrans-56.7-57.5176.2176.4-99.6000111.8P20 F21 M38 L44 K47 M48 G51 Y52 T53 L57 Q58 I61P20-F55 HydrophobicContact CG-CD1 4.24Å; P20-F55 HydrophobicContact CG-CE1 3.78Å; P20-F55 HydrophobicContact CG-CZ 4.4Å; F21-F55 AromaticContact CE2-CE2 3.85Å; F21-F55 HydrophobicContact CE2-CE2 3.85Å; F21-F55 AromaticContact CE2-CZ 3.92Å; F21-F55 HydrophobicContact CE2-CZ 3.92Å; F21-F55 HydrophobicContact CZ-CE2 4.04Å; F21-F55 HydrophobicContact CZ-CZ 4.04Å; M38-F55 HydrophobicContact CE-CE1 4.35Å; M38-F55 HydrophobicContact CE-CZ 4.39Å; M38-F55 HydrophobicContact CG-CZ 4.32Å; M38-F55 HydrophobicContact SD-CE1 3.82Å; M38-F55 HydrophobicContact SD-CZ 3.71Å; L44-F55 HydrophobicContact CB-CE2 4.16Å; K47-F55 HydrophobicContact CB-CD2 4.43Å; M48-F55 HydrophobicContact CB-CD2 4.24Å; M48-F55 HydrophobicContact SD-CB 3.56Å; M48-F55 VanDerWaalsContact SD-CB 3.56Å; M48-F55 HydrophobicContact SD-CD1 3.97Å; M48-F55 HydrophobicContact SD-CD2 3.97Å; M48-F55 HydrophobicContact SD-CG 3.55Å; M48-F55 VanDerWaalsContact SD-CG 3.55Å; G51-F55 WeakPolarHBondContact O-CB 3.4Å; G51-F55 PolarHBondContact O-N 3.25Å; Y52-F55 WeakPolarHBondContact O-CB 3.16Å; Y52-F55 PolarHBondContact O-N 3.15Å; T53-F55 VanDerWaalsContact C-N 3.32Å; F55-L57 VanDerWaalsContact C-N 3.32Å; F55-L57 PolarHBondContact O-N 3.33Å; F55-Q58 WeakPolarHBondContact O-CB 3.46Å; F55-Q58 WeakPolarHBondContact O-CG 3.32Å; F55-Q58 PolarHBondContact O-N 3.19Å; F55-Q58 PolarHBondContact O-NE2 3.27Å; F55-Q58 VanDerWaalsContact O-NE2 3.09Å; F55-I61 HydrophobicContact CE1-CD1 4.25Å; F55-I61 HydrophobicContact CE1-CG1 4.48Å; F55-I61 HydrophobicContact CE2-CD1 3.95Å; F55-I61 HydrophobicContact CE2-CG1 4.43Å; F55-I61 HydrophobicContact CZ-CD1 3.65Å; F55-I61 HydrophobicContact CZ-CG1 4.26Å
56W94.1Very high91.9Very high0 Ų070 Ų700%036%0.364CS..Hα-helixtrans-68.5-28.5-176.1-71.2117.9000113.6W16 V17 P20 M38 Y52 Q58 I61 L68 W69 A72 L76W16-W56 AromaticContact CE3-CH2 3.94Å; W16-W56 HydrophobicContact CE3-CH2 3.94Å; W16-W56 AromaticContact CE3-CZ2 3.87Å; W16-W56 HydrophobicContact CE3-CZ2 3.87Å; W16-W56 AromaticContact CZ3-CH2 3.53Å; W16-W56 HydrophobicContact CZ3-CH2 3.53Å; W16-W56 AromaticContact CZ3-CZ2 3.73Å; W16-W56 HydrophobicContact CZ3-CZ2 3.73Å; W16-W56 HydrophobicContact CZ3-CZ3 4.46Å; V17-W56 PolarHBondContact O-NE1 3.3Å; P20-W56 HydrophobicContact CG-CH2 4.32Å; P20-W56 HydrophobicContact CG-CZ2 3.71Å; M38-W56 HydrophobicContact CE-CH2 3.94Å; M38-W56 HydrophobicContact CE-CZ3 3.76Å; M38-W56 HydrophobicContact SD-CH2 4.07Å; M38-W56 HydrophobicContact SD-CZ3 4.43Å; Y52-W56 PolarHBondContact O-N 3.34Å; W56-Q58 PolarHBondContact O-N 3.22Å; W56-I61 HydrophobicContact CE3-CG2 3.62Å; W56-I61 HydrophobicContact CZ3-CG2 3.85Å; W56-L68 HydrophobicContact CH2-CB 4.03Å; W56-L68 HydrophobicContact CZ3-CB 3.89Å; W56-W69 HydrophobicContact CB-CE3 4.12Å; W56-W69 HydrophobicContact CB-CZ3 3.87Å; W56-W69 WeakPolarHBondContact O-CZ3 3.4Å; W56-A72 HydrophobicContact CB-CB 4.47Å; W56-A72 HydrophobicContact CD2-CB 3.46Å; W56-A72 VanDerWaalsContact CD2-CB 3.46Å; W56-A72 HydrophobicContact CE3-CB 3.71Å; W56-A72 HydrophobicContact CG-CB 3.81Å; W56-A72 HydrophobicContact CH2-CB 4.44Å; W56-A72 HydrophobicContact CZ2-CB 4.18Å; W56-A72 HydrophobicContact CZ3-CB 4.19Å; W56-L76 HydrophobicContact CB-CD1 3.36Å; W56-L76 HydrophobicContact CG-CD1 4.04Å
57L91.5Very high92.1Very high111 Ų11171.7 Ų71.758%0.58136%0.36SS*.THydrogen-bonded Turntrans-74.4-4179.4-72.8173.4000114T53 S54 F55 W69T53-L57 HydrophobicContact CG2-CD1 3.87Å; T53-L57 WeakPolarHBondContact O-CB 3.39Å; T53-L57 WeakPolarHBondContact O-CD1 3.02Å; T53-L57 WeakPolarHBondContact O-CG 3.36Å; T53-L57 PolarHBondContact O-N 3.06Å; S54-L57 PolarHBondContact O-N 3.09Å; F55-L57 VanDerWaalsContact C-N 3.32Å; F55-L57 PolarHBondContact O-N 3.33Å; L57-W69 HydrophobicContact CD2-CH2 3.95Å; L57-W69 HydrophobicContact CD2-CZ3 4.47Å
58Q92.2Very high92.3Very high47 Ų4768.4 Ų68.422%0.2235%0.346CS..  trans-66.3134.6175.3-70.2177.675.800111.6F55 W56 E60 I61 R62F55-Q58 WeakPolarHBondContact O-CB 3.46Å; F55-Q58 WeakPolarHBondContact O-CG 3.32Å; F55-Q58 PolarHBondContact O-N 3.19Å; F55-Q58 PolarHBondContact O-NE2 3.27Å; F55-Q58 VanDerWaalsContact O-NE2 3.09Å; W56-Q58 PolarHBondContact O-N 3.22Å; Q58-E60 PolarHBondContact O-N 3.24Å; Q58-I61 HydrophobicContact CB-CB 4.36Å; Q58-I61 HydrophobicContact CB-CG1 3.93Å; Q58-I61 PolarHBondContact O-N 3.23Å; Q58-R62 PolarHBondContact O-N 3.31Å
59Q93.2Very high92.6Very high142 Ų14268.6 Ų68.666%0.66435%0.345SS*.Hα-helixtrans-58.9-38.7178.1-178.8174.5-6.800112.2R62 Q63Q59-R62 PolarHBondContact O-N 3.49Å; Q59-Q63 WeakPolarHBondContact O-CG 3.36Å; Q59-Q63 PolarHBondContact O-N 3.39Å; Q59-Q63 VanDerWaalsContact O-N 3.09Å
60E93.9Very high92.7Very high72 Ų7263 Ų6334%0.33632%0.324SS..Hα-helixtrans-60.8-46.7178.2-175.1176.2-149.800111.7K47 Q58 R62 Q63 L64K47-E60 IonicContact NZ-OE2 2.62Å; K47-E60 PolarHBondContact NZ-OE2 3.33Å; Q58-E60 PolarHBondContact O-N 3.24Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 3.44Å; E60-Q63 PolarHBondContact O-N 2.83Å; E60-Q63 VanDerWaalsContact O-N 3.11Å; E60-L64 HydrophobicContact CG-CD1 3.63Å; E60-L64 HydrophobicContact CG-CG 4.23Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 WeakPolarHBondContact O-CG 3.5Å; E60-L64 PolarHBondContact O-N 3.41Å
61I93.8Very high92.9Very high0 Ų061.2 Ų61.20%030%0.302CS..Hα-helixtrans-60.7-43.2177.4-61.2-61.2000111.1M38 L44 F55 W56 Q58 Q63 Y65M38-I61 HydrophobicContact CE-CD1 4.38Å; M38-I61 HydrophobicContact CE-CG2 4.09Å; L44-I61 HydrophobicContact CD1-CD1 3.7Å; L44-I61 HydrophobicContact CD2-CD1 3.75Å; L44-I61 HydrophobicContact CG-CD1 4.31Å; F55-I61 HydrophobicContact CE1-CD1 4.25Å; F55-I61 HydrophobicContact CE1-CG1 4.48Å; F55-I61 HydrophobicContact CE2-CD1 3.95Å; F55-I61 HydrophobicContact CE2-CG1 4.43Å; F55-I61 HydrophobicContact CZ-CD1 3.65Å; F55-I61 HydrophobicContact CZ-CG1 4.26Å; W56-I61 HydrophobicContact CE3-CG2 3.62Å; W56-I61 HydrophobicContact CZ3-CG2 3.85Å; Q58-I61 HydrophobicContact CB-CB 4.36Å; Q58-I61 HydrophobicContact CB-CG1 3.93Å; Q58-I61 PolarHBondContact O-N 3.23Å; I61-Q63 PolarHBondContact O-N 2.81Å; I61-Y65 HydrophobicContact CD1-CD2 4.07Å; I61-Y65 HydrophobicContact CD1-CE2 4.08Å; I61-Y65 HydrophobicContact CG2-CD2 4.35Å; I61-Y65 WeakPolarHBondContact O-CA 3.34Å; I61-Y65 PolarHBondContact O-N 2.78Å
62R93.4Very high92.9Very high158 Ų15859.7 Ų59.760%0.59629%0.286SS*.Hα-helixtrans-62.3-31.7177.7173172.8177.9-173.5-1113.1Q58 Q59 E60 W69Q58-R62 PolarHBondContact O-N 3.31Å; Q59-R62 PolarHBondContact O-N 3.49Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 3.44Å; R62-W69 HydrophobicContact CB-CD2 4.37Å; R62-W69 HydrophobicContact CB-CG 4.17Å; R62-W69 HydrophobicContact CG-CG 4.16Å
63Q94.6Very high92.8Very high131 Ų13158.3 Ų58.361%0.61228%0.282SS*.Hα-helixtrans-86-43.9-178.2-72.5179.3-10.300112.2Q59 E60 I61Q59-Q63 WeakPolarHBondContact O-CG 3.36Å; Q59-Q63 PolarHBondContact O-N 3.39Å; Q59-Q63 VanDerWaalsContact O-N 3.09Å; E60-Q63 PolarHBondContact O-N 2.83Å; E60-Q63 VanDerWaalsContact O-N 3.11Å; I61-Q63 PolarHBondContact O-N 2.81Å
64L94.6Very high92.6Very high86 Ų8661.5 Ų61.545%0.4529%0.291SS..Hα-helixtrans-76.6-37.1-177.9-65179.5000112.5E60 P66E60-L64 HydrophobicContact CG-CD1 3.63Å; E60-L64 HydrophobicContact CG-CG 4.23Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 WeakPolarHBondContact O-CG 3.5Å; E60-L64 PolarHBondContact O-N 3.41Å; L64-P66 VanDerWaalsContact O-CD 3.28Å; L64-P66 WeakPolarHBondContact O-CD 3.34Å
65Y94.6Very high92.2Very high4 Ų461.5 Ų61.52%0.01628%0.284CS..  trans-125.561.6-172.9-46.1-72.1000111.7E34 E37 M38 L44 I61 R67 L68 W69E34-Y65 HydrophobicContact CB-CD1 4.15Å; E34-Y65 WeakPolarHBondContact O-CD1 3.35Å; E34-Y65 WeakPolarHBondContact OE2-CA 3.42Å; E37-Y65 HydrophobicContact CB-CE1 4.18Å; E37-Y65 HydrophobicContact CG-CE1 4.06Å; M38-Y65 HydrophobicContact CB-CD1 4.21Å; M38-Y65 HydrophobicContact CB-CD2 4.48Å; M38-Y65 HydrophobicContact CB-CE1 3.88Å; M38-Y65 HydrophobicContact CB-CE2 4.16Å; M38-Y65 HydrophobicContact CB-CG 4.48Å; M38-Y65 HydrophobicContact CE-CD1 4.22Å; M38-Y65 HydrophobicContact CE-CD2 3.27Å; M38-Y65 HydrophobicContact CE-CE2 3.91Å; M38-Y65 HydrophobicContact CE-CG 3.45Å; M38-Y65 VanDerWaalsContact CE-CG 3.45Å; M38-Y65 HydrophobicContact CG-CD2 4.49Å; M38-Y65 HydrophobicContact CG-CE2 4.21Å; L44-Y65 HydrophobicContact CD1-CE2 3.65Å; I61-Y65 HydrophobicContact CD1-CD2 4.07Å; I61-Y65 HydrophobicContact CD1-CE2 4.08Å; I61-Y65 HydrophobicContact CG2-CD2 4.35Å; I61-Y65 WeakPolarHBondContact O-CA 3.34Å; I61-Y65 PolarHBondContact O-N 2.78Å; Y65-R67 VanDerWaalsContact C-N 3.3Å; Y65-R67 PolarHBondContact O-N 3.01Å; Y65-L68 PolarHBondContact O-N 2.8Å; Y65-W69 WeakPolarHBondContact O-CB 3.45Å; Y65-W69 PolarHBondContact O-N 3.1Å
66P95Very high91.7Very high56 Ų5663.1 Ų63.136%0.36429%0.293SS..Hα-helixtrans-64.9-31-172.627.3-35.4000112.9L64 N70L64-P66 VanDerWaalsContact O-CD 3.28Å; L64-P66 WeakPolarHBondContact O-CD 3.34Å; P66-N70 WeakPolarHBondContact O-CB 3.5Å; P66-N70 PolarHBondContact O-N 3.27Å; P66-N70 PolarHBondContact O-ND2 3.11Å; P66-N70 VanDerWaalsContact O-ND2 3.11Å
67R93.9Very high90.7Very high110 Ų11067.6 Ų67.642%0.41532%0.316SS..Hα-helixtrans-71.4-45.8179-60.5175.9-119.1-178-6.5110.2A30 Y31 E33 E34 Y65 N70 V71A30-R67 PolarHBondContact O-NH1 3.15Å; Y31-R67 HydrophobicContact CD1-CB 4.01Å; Y31-R67 HydrophobicContact CE1-CB 4.36Å; E33-R67 IonicContact OE2-NH1 2.79Å; E34-R67 WeakPolarHBondContact OE1-CB 3.28Å; E34-R67 WeakPolarHBondContact OE1-CD 3.41Å; E34-R67 WeakPolarHBondContact OE1-CG 3.43Å; E34-R67 IonicContact OE1-CZ 2.61Å; E34-R67 PolarHBondContact OE1-N 3.37Å; E34-R67 IonicContact OE1-NE 3.91Å; E34-R67 PolarHBondContact OE1-NE 3.18Å; E34-R67 IonicContact OE1-NH2 3.66Å; E34-R67 WeakPolarHBondContact OE2-CA 3.48Å; E34-R67 VanDerWaalsContact OE2-CB 3.27Å; E34-R67 WeakPolarHBondContact OE2-CB 3.35Å; E34-R67 PolarHBondContact OE2-N 3.45Å; Y65-R67 VanDerWaalsContact C-N 3.3Å; Y65-R67 PolarHBondContact O-N 3.01Å; R67-N70 WeakPolarHBondContact O-CB 3.4Å; R67-N70 PolarHBondContact O-N 2.95Å; R67-V71 PolarHBondContact O-N 3.01Å
68L93.3Very high89.6Confident0 Ų067.3 Ų67.30%032%0.321CS..Hα-helixtrans-61.4-47.3175.2-64.6-179.7000111.9W16 E34 L35 M38 W56 Y65 N70 V71 A72W16-L68 HydrophobicContact CE3-CD2 4.15Å; W16-L68 HydrophobicContact CH2-CB 4.16Å; W16-L68 HydrophobicContact CH2-CD2 3.56Å; W16-L68 HydrophobicContact CH2-CG 4.47Å; W16-L68 HydrophobicContact CZ2-CD2 4.12Å; W16-L68 HydrophobicContact CZ3-CB 3.97Å; W16-L68 HydrophobicContact CZ3-CD2 3.61Å; W16-L68 HydrophobicContact CZ3-CG 4.31Å; E34-L68 HydrophobicContact CB-CD1 3.83Å; E34-L68 HydrophobicContact CB-CG 3.85Å; E34-L68 PolarHBondContact OE2-N 3.45Å; E34-L68 VanDerWaalsContact OE2-N 3.1Å; L35-L68 HydrophobicContact CB-CD1 4.17Å; L35-L68 HydrophobicContact CB-CD2 4.24Å; L35-L68 HydrophobicContact CD1-CD1 4.11Å; M38-L68 HydrophobicContact CE-CD1 3.57Å; M38-L68 HydrophobicContact SD-CD1 4.21Å; W56-L68 HydrophobicContact CH2-CB 4.03Å; W56-L68 HydrophobicContact CZ3-CB 3.89Å; Y65-L68 PolarHBondContact O-N 2.8Å; L68-N70 VanDerWaalsContact C-N 3.25Å; L68-N70 PolarHBondContact O-N 3.37Å; L68-V71 PolarHBondContact O-N 3.25Å; L68-A72 PolarHBondContact O-N 2.95Å
69W94Very high88.5Confident32 Ų3269.1 Ų69.112%0.12133%0.328CS..Hα-helixtrans-57-39.6176.3167.6-112.6000112.2W56 L57 R62 Y65 V71 A72 K73 L76W56-W69 HydrophobicContact CB-CE3 4.12Å; W56-W69 HydrophobicContact CB-CZ3 3.87Å; W56-W69 WeakPolarHBondContact O-CZ3 3.4Å; L57-W69 HydrophobicContact CD2-CH2 3.95Å; L57-W69 HydrophobicContact CD2-CZ3 4.47Å; R62-W69 HydrophobicContact CB-CD2 4.37Å; R62-W69 HydrophobicContact CB-CG 4.17Å; R62-W69 HydrophobicContact CG-CG 4.16Å; Y65-W69 WeakPolarHBondContact O-CB 3.45Å; Y65-W69 PolarHBondContact O-N 3.1Å; W69-V71 PolarHBondContact O-N 3.28Å; W69-A72 PolarHBondContact O-N 3.33Å; W69-K73 HydrophobicContact CD2-CB 4.12Å; W69-K73 HydrophobicContact CE3-CB 4.25Å; W69-K73 HydrophobicContact CH2-CB 3.77Å; W69-K73 HydrophobicContact CZ2-CB 3.62Å; W69-K73 HydrophobicContact CZ2-CD 4.49Å; W69-K73 HydrophobicContact CZ3-CB 4.09Å; W69-K73 VanDerWaalsContact O-CB 3.28Å; W69-K73 WeakPolarHBondContact O-CB 3.48Å; W69-K73 WeakPolarHBondContact O-CG 3.37Å; W69-K73 PolarHBondContact O-N 3.48Å; W69-L76 HydrophobicContact CE3-CD1 4.45Å; W69-L76 HydrophobicContact CH2-CD1 4.12Å; W69-L76 HydrophobicContact CZ3-CD1 3.52Å
70N91.7Very high87.1Confident72 Ų7265 Ų6539%0.38531%0.313SS..Hα-helixtrans-62.9-26.9178.9-81.9-29.4000113.8P66 R67 L68 K73 K74P66-N70 WeakPolarHBondContact O-CB 3.5Å; P66-N70 PolarHBondContact O-N 3.27Å; P66-N70 PolarHBondContact O-ND2 3.11Å; P66-N70 VanDerWaalsContact O-ND2 3.11Å; R67-N70 WeakPolarHBondContact O-CB 3.4Å; R67-N70 PolarHBondContact O-N 2.95Å; L68-N70 VanDerWaalsContact C-N 3.25Å; L68-N70 PolarHBondContact O-N 3.37Å; N70-K73 WeakPolarHBondContact OD1-CE 3.47Å; N70-K73 PolarHBondContact OD1-NZ 2.85Å; N70-K74 WeakPolarHBondContact O-CE 3.17Å
71V89.9Confident85.9Confident18 Ų1862.8 Ų62.811%0.10931%0.306CS..Hα-helixtrans-82.7-53.5172.6178.10000109.7P14 W16 V17 Y31 R67 L68 W69 K73 K74 F75P14-V71 HydrophobicContact CG-CG1 4.44Å; W16-V71 HydrophobicContact CH2-CB 3.74Å; W16-V71 HydrophobicContact CH2-CG1 3.87Å; W16-V71 HydrophobicContact CH2-CG2 4.36Å; W16-V71 HydrophobicContact CZ2-CB 4.01Å; W16-V71 HydrophobicContact CZ2-CG1 3.74Å; W16-V71 HydrophobicContact CZ2-CG2 4.4Å; V17-V71 HydrophobicContact CG2-CG1 4.45Å; Y31-V71 HydrophobicContact CD1-CG2 4.44Å; Y31-V71 HydrophobicContact CE1-CG2 3.82Å; Y31-V71 HydrophobicContact CE2-CG2 4.48Å; R67-V71 PolarHBondContact O-N 3.01Å; L68-V71 PolarHBondContact O-N 3.25Å; W69-V71 PolarHBondContact O-N 3.28Å; V71-K73 VanDerWaalsContact C-N 3.32Å; V71-K73 PolarHBondContact O-N 2.93Å; V71-K74 WeakPolarHBondContact O-CB 3.38Å; V71-K74 PolarHBondContact O-N 3.34Å; V71-K74 VanDerWaalsContact O-N 3.13Å; V71-F75 HydrophobicContact CG1-CE2 3.97Å; V71-F75 WeakPolarHBondContact O-CD2 3.33Å
72A90.8Very high84.9Confident0 Ų066.9 Ų66.90%034%0.335CS..Hα-helixtrans-56.2-42.8-177.300000112.6V17 W56 L68 W69 K74 F75 L76V17-A72 HydrophobicContact CG1-CB 4.08Å; V17-A72 HydrophobicContact CG2-CB 4.49Å; W56-A72 HydrophobicContact CB-CB 4.47Å; W56-A72 HydrophobicContact CD2-CB 3.46Å; W56-A72 VanDerWaalsContact CD2-CB 3.46Å; W56-A72 HydrophobicContact CE3-CB 3.71Å; W56-A72 HydrophobicContact CG-CB 3.81Å; W56-A72 HydrophobicContact CH2-CB 4.44Å; W56-A72 HydrophobicContact CZ2-CB 4.18Å; W56-A72 HydrophobicContact CZ3-CB 4.19Å; L68-A72 PolarHBondContact O-N 2.95Å; W69-A72 PolarHBondContact O-N 3.33Å; A72-K74 PolarHBondContact O-N 2.94Å; A72-F75 PolarHBondContact O-N 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.27Å; A72-L76 PolarHBondContact O-N 3.42Å
73K89.7Confident83.8Confident74 Ų7463.4 Ų63.432%0.32232%0.322SS..Hα-helixtrans-56.9-28.3-178.976.4-174.6-176-173.70113.8W69 N70 V71 F75 L76 I77W69-K73 HydrophobicContact CD2-CB 4.12Å; W69-K73 HydrophobicContact CE3-CB 4.25Å; W69-K73 HydrophobicContact CH2-CB 3.77Å; W69-K73 HydrophobicContact CZ2-CB 3.62Å; W69-K73 HydrophobicContact CZ2-CD 4.49Å; W69-K73 HydrophobicContact CZ3-CB 4.09Å; W69-K73 VanDerWaalsContact O-CB 3.28Å; W69-K73 WeakPolarHBondContact O-CB 3.48Å; W69-K73 WeakPolarHBondContact O-CG 3.37Å; W69-K73 PolarHBondContact O-N 3.48Å; N70-K73 WeakPolarHBondContact OD1-CE 3.47Å; N70-K73 PolarHBondContact OD1-NZ 2.85Å; V71-K73 VanDerWaalsContact C-N 3.32Å; V71-K73 PolarHBondContact O-N 2.93Å; K73-F75 PolarHBondContact O-N 3.06Å; K73-L76 PolarHBondContact O-N 2.92Å; K73-I77 WeakPolarHBondContact O-CD1 3.44Å; K73-I77 VanDerWaalsContact O-CG1 3.26Å; K73-I77 WeakPolarHBondContact O-CG1 3.45Å; K73-I77 PolarHBondContact O-N 2.78Å
74K85.1Confident82.7Confident125 Ų12558.3 Ų58.354%0.54330%0.299SS..Hα-helixtrans-66.1-28.8178.8-62.3176.8-176.9175.70111.9N70 V71 A72N70-K74 WeakPolarHBondContact O-CE 3.17Å; V71-K74 WeakPolarHBondContact O-CB 3.38Å; V71-K74 PolarHBondContact O-N 3.34Å; V71-K74 VanDerWaalsContact O-N 3.13Å; A72-K74 PolarHBondContact O-N 2.94Å
75F83Confident81.7Confident54 Ų5456.5 Ų56.524%0.23729%0.291CS..Hα-helixtrans-92.9-19.4179.7-56.4-76.4000112.8M11 I13 P14 V17 V71 A72 K73M11-F75 HydrophobicContact CE-CD1 3.79Å; M11-F75 HydrophobicContact CE-CE1 3.47Å; M11-F75 VanDerWaalsContact CE-CE1 3.47Å; M11-F75 HydrophobicContact CE-CZ 4.32Å; I13-F75 HydrophobicContact CB-CD1 4.34Å; I13-F75 HydrophobicContact CB-CE1 4.32Å; I13-F75 HydrophobicContact CD1-CD1 4.33Å; I13-F75 HydrophobicContact CG1-CD1 3.72Å; I13-F75 HydrophobicContact CG1-CE1 3.9Å; I13-F75 HydrophobicContact CG1-CG 4.49Å; I13-F75 HydrophobicContact CG2-CD1 4.24Å; I13-F75 HydrophobicContact CG2-CE1 4.49Å; I13-F75 HydrophobicContact CG2-CG 4.24Å; P14-F75 HydrophobicContact CG-CE2 4.44Å; V17-F75 HydrophobicContact CG1-CD2 4.34Å; V17-F75 HydrophobicContact CG2-CD2 4.48Å; V71-F75 HydrophobicContact CG1-CE2 3.97Å; V71-F75 WeakPolarHBondContact O-CD2 3.33Å; A72-F75 PolarHBondContact O-N 3.25Å; K73-F75 PolarHBondContact O-N 3.06Å
76L83.1Confident81Confident34 Ų3462.4 Ų62.418%0.17832%0.319CS..Hα-helixtrans-84.9-20.5179.4-61.8170.9000113.2Y52 T53 W56 W69 A72 K73Y52-L76 HydrophobicContact CD2-CD2 3.88Å; Y52-L76 HydrophobicContact CE2-CD2 3.9Å; T53-L76 HydrophobicContact CG2-CD2 4.14Å; W56-L76 HydrophobicContact CB-CD1 3.36Å; W56-L76 HydrophobicContact CG-CD1 4.04Å; W69-L76 HydrophobicContact CE3-CD1 4.45Å; W69-L76 HydrophobicContact CH2-CD1 4.12Å; W69-L76 HydrophobicContact CZ3-CD1 3.52Å; A72-L76 WeakPolarHBondContact O-CG 3.27Å; A72-L76 PolarHBondContact O-N 3.42Å; K73-L76 PolarHBondContact O-N 2.92Å
77I74Confident80.1Confident93 Ų9365.7 Ų65.748%0.47732%0.324SS..SBendtrans-78.5132.1177.9-65.7164.5000108.6K73 F79K73-I77 WeakPolarHBondContact O-CD1 3.44Å; K73-I77 VanDerWaalsContact O-CG1 3.26Å; K73-I77 WeakPolarHBondContact O-CG1 3.45Å; K73-I77 PolarHBondContact O-N 2.78Å; I77-F79 PolarHBondContact O-N 2.97Å
78P67.2Low79.3Confident106 Ų10660.8 Ų60.869%0.68831%0.308SS*.SBendtrans-63-15.1-178.322.4-33000114.3
79F69Low78.8Confident85 Ų8567.3 Ų67.337%0.37334%0.336SS..  trans-125.985.5-178.7-58.5-75.7000110.6I77 S81 L84 V85I77-F79 PolarHBondContact O-N 2.97Å; F79-S81 PolarHBondContact O-N 3.29Å; F79-L84 HydrophobicContact CB-CB 4.41Å; F79-L84 HydrophobicContact CD1-CB 3.74Å; F79-V85 HydrophobicContact CB-CG2 3.39Å; F79-V85 HydrophobicContact CD1-CG2 4.29Å; F79-V85 HydrophobicContact CD2-CG2 4.23Å; F79-V85 HydrophobicContact CG-CG2 3.73Å
80P63.9Low78.2Confident54 Ų5468.3 Ų68.335%0.35135%0.349SS..SBendtrans-61.8-25.1-178.218.9-31.4000113.7I8 M11 L84I8-P80 HydrophobicContact CD1-CG 4.29Å; I8-P80 HydrophobicContact CG1-CG 4.05Å; I8-P80 HydrophobicContact CG2-CG 4.26Å; M11-P80 HydrophobicContact CE-CB 4.17Å; M11-P80 HydrophobicContact SD-CB 4.03Å; P80-L84 HydrophobicContact CG-CD1 3.99Å
81S68.8Low77.5Confident26 Ų2665.2 Ų65.218%0.18233%0.333CS..SBendtrans-125.6147.8177.366.10000112.6F79 Y83 L84F79-S81 PolarHBondContact O-N 3.29Å; S81-Y83 PolarHBondContact O-N 3.32Å; S81-L84 PolarHBondContact O-N 3.09Å
82S72.9Confident77Confident87 Ų8765.9 Ų65.961%0.60834%0.337SS*.Hα-helixtrans-56.7-33.4175.255.60000112.1L84 V85 E86S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 3.48Å; S82-V85 WeakPolarHBondContact O-CA 3.32Å; S82-V85 WeakPolarHBondContact O-CB 3.33Å; S82-V85 PolarHBondContact O-N 3.23Å; S82-V85 VanDerWaalsContact O-N 3.08Å; S82-E86 WeakPolarHBondContact O-CG 3.49Å; S82-E86 PolarHBondContact O-N 2.87Å
83Y71.1Confident76.4Confident85 Ų8570.3 Ų70.333%0.33336%0.364SS..Hα-helixtrans-56.8-41.1175.1167-104.6000112.8S81 V85 E86 R87S81-Y83 PolarHBondContact O-N 3.32Å; Y83-V85 VanDerWaalsContact C-N 3.31Å; Y83-V85 PolarHBondContact O-N 3.11Å; Y83-E86 PolarHBondContact O-N 3.38Å; Y83-R87 HydrophobicContact CD1-CG 4.42Å; Y83-R87 HydrophobicContact CD2-CG 3.93Å; Y83-R87 HydrophobicContact CE1-CG 3.96Å; Y83-R87 HydrophobicContact CE2-CG 3.41Å; Y83-R87 VanDerWaalsContact CE2-CG 3.41Å; Y83-R87 HydrophobicContact CG-CG 4.42Å; Y83-R87 VanDerWaalsContact CZ-CG 3.43Å; Y83-R87 VanDerWaalsContact O-CB 3.31Å; Y83-R87 WeakPolarHBondContact O-CB 3.35Å; Y83-R87 WeakPolarHBondContact O-CG 3.17Å; Y83-R87 PolarHBondContact O-N 2.98Å; Y83-R87 PolarHBondContact OH-NE 2.9Å; Y83-R87 PolarHBondContact OH-NH2 3.35Å
84L71.2Confident75.8Confident23 Ų2370.2 Ų70.212%0.1237%0.367CS..Hα-helixtrans-68.1-34.8177.1-70.9-177.9000112.3Y5 I8 F79 P80 S81 S82 G88Y5-L84 HydrophobicContact CD1-CD2 3.82Å; Y5-L84 HydrophobicContact CE1-CD2 3.55Å; I8-L84 HydrophobicContact CD1-CD1 3.17Å; I8-L84 HydrophobicContact CD1-CD2 3.73Å; I8-L84 HydrophobicContact CD1-CG 3.63Å; I8-L84 HydrophobicContact CG1-CD1 4.29Å; F79-L84 HydrophobicContact CB-CB 4.41Å; F79-L84 HydrophobicContact CD1-CB 3.74Å; P80-L84 HydrophobicContact CG-CD1 3.99Å; S81-L84 PolarHBondContact O-N 3.09Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 3.48Å; L84-G88 PolarHBondContact O-N 2.61Å
85V74.3Confident75.3Confident49 Ų4965.4 Ų65.430%0.29735%0.347SS..Hα-helixtrans-63.1-50.5174.4179.40000109.3F79 S82 Y83 R87 G88 F89F79-V85 HydrophobicContact CB-CG2 3.39Å; F79-V85 HydrophobicContact CD1-CG2 4.29Å; F79-V85 HydrophobicContact CD2-CG2 4.23Å; F79-V85 HydrophobicContact CG-CG2 3.73Å; S82-V85 WeakPolarHBondContact O-CA 3.32Å; S82-V85 WeakPolarHBondContact O-CB 3.33Å; S82-V85 PolarHBondContact O-N 3.23Å; S82-V85 VanDerWaalsContact O-N 3.08Å; Y83-V85 VanDerWaalsContact C-N 3.31Å; Y83-V85 PolarHBondContact O-N 3.11Å; V85-R87 PolarHBondContact O-N 2.72Å; V85-G88 PolarHBondContact O-N 3.27Å; V85-F89 HydrophobicContact CG1-CD2 3.53Å; V85-F89 HydrophobicContact CG1-CE2 3.26Å; V85-F89 HydrophobicContact CG1-CZ 4.42Å; V85-F89 WeakPolarHBondContact O-CD2 3.47Å; V85-F89 PolarHBondContact O-N 3.11Å
86E79.5Confident74.9Confident128 Ų12868.4 Ų68.460%0.59837%0.365SS*.Hα-helixtrans-60.1-43.8177.7-71.7175.2-169.200112.4S82 Y83 F89 S90S82-E86 WeakPolarHBondContact O-CG 3.49Å; S82-E86 PolarHBondContact O-N 2.87Å; Y83-E86 PolarHBondContact O-N 3.38Å; E86-F89 PolarHBondContact O-N 3.02Å; E86-S90 WeakPolarHBondContact O-CB 3.33Å; E86-S90 PolarHBondContact O-N 3.47Å
87R76.6Confident74.3Confident124 Ų12469.7 Ų69.747%0.46839%0.386SS..Hα-helixtrans-64.9-42.5174.7-79.3-65.1-146.5165.44.6112.2Y83 V85 F89 S90 A91 L115Y83-R87 HydrophobicContact CD1-CG 4.42Å; Y83-R87 HydrophobicContact CD2-CG 3.93Å; Y83-R87 HydrophobicContact CE1-CG 3.96Å; Y83-R87 HydrophobicContact CE2-CG 3.41Å; Y83-R87 VanDerWaalsContact CE2-CG 3.41Å; Y83-R87 HydrophobicContact CG-CG 4.42Å; Y83-R87 VanDerWaalsContact CZ-CG 3.43Å; Y83-R87 VanDerWaalsContact O-CB 3.31Å; Y83-R87 WeakPolarHBondContact O-CB 3.35Å; Y83-R87 WeakPolarHBondContact O-CG 3.17Å; Y83-R87 PolarHBondContact O-N 2.98Å; Y83-R87 PolarHBondContact OH-NE 2.9Å; Y83-R87 PolarHBondContact OH-NH2 3.35Å; V85-R87 PolarHBondContact O-N 2.72Å; R87-F89 VanDerWaalsContact C-N 3.32Å; R87-S90 PolarHBondContact O-N 2.79Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 2.97Å; R87-L115 HydrophobicContact CB-CD2 4.31Å
88G76.8Confident73.9Confident7 Ų773.3 Ų73.37%0.07240%0.399CS..Hα-helixtrans-58.1-45.8174.600000111.4L84 V85 A91 V92L84-G88 PolarHBondContact O-N 2.61Å; V85-G88 PolarHBondContact O-N 3.27Å; G88-A91 WeakPolarHBondContact O-CB 2.92Å; G88-A91 PolarHBondContact O-N 2.89Å; G88-V92 VanDerWaalsContact O-CG2 3.27Å; G88-V92 WeakPolarHBondContact O-CG2 3.43Å; G88-V92 PolarHBondContact O-N 3.31Å
89F82Confident73.5Confident137 Ų13774.8 Ų74.860%0.60139%0.394SS*.Hα-helixtrans-68.1-43.3175.6-75.5-58.6000112.7V85 E86 R87 A91 V92 T93V85-F89 HydrophobicContact CG1-CD2 3.53Å; V85-F89 HydrophobicContact CG1-CE2 3.26Å; V85-F89 HydrophobicContact CG1-CZ 4.42Å; V85-F89 WeakPolarHBondContact O-CD2 3.47Å; V85-F89 PolarHBondContact O-N 3.11Å; E86-F89 PolarHBondContact O-N 3.02Å; R87-F89 VanDerWaalsContact C-N 3.32Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 3.2Å; F89-V92 PolarHBondContact O-N 3.41Å; F89-T93 WeakPolarHBondContact O-CB 3.37Å; F89-T93 PolarHBondContact O-N 3.18Å; F89-T93 PolarHBondContact O-OG1 3.1Å
90S81.3Confident72.7Confident54 Ų5481.8 Ų81.838%0.37842%0.418SS..Hα-helixtrans-59.1-44.3175.2-175.10000111.2E86 R87 V92 T93 D94E86-S90 WeakPolarHBondContact O-CB 3.33Å; E86-S90 PolarHBondContact O-N 3.47Å; R87-S90 PolarHBondContact O-N 2.79Å; S90-V92 PolarHBondContact O-N 3.1Å; S90-T93 PolarHBondContact O-N 3.38Å; S90-D94 WeakPolarHBondContact O-CB 3.23Å; S90-D94 PolarHBondContact O-N 3.21Å
91A77.8Confident72.4Confident6 Ų686.4 Ų86.45%0.0544%0.44CS..Hα-helixtrans-58-47.6175.400000111.6R87 G88 F89 D94 L95 L111 L114 L115R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 2.97Å; G88-A91 WeakPolarHBondContact O-CB 2.92Å; G88-A91 PolarHBondContact O-N 2.89Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 3.2Å; A91-D94 PolarHBondContact O-N 3.38Å; A91-L95 WeakPolarHBondContact O-CB 3.38Å; A91-L95 PolarHBondContact O-N 3.42Å; A91-L111 HydrophobicContact CB-CD1 3.53Å; A91-L114 HydrophobicContact CB-CD2 3.43Å; A91-L114 VanDerWaalsContact CB-CD2 3.43Å; A91-L115 HydrophobicContact CB-CD2 4.21Å
92V78.3Confident72.1Confident33 Ų3395.3 Ų95.320%0.247%0.469CS..Hα-helixtrans-62.8-46.3176.9166.80000111.1G88 F89 S90 D94 L95 L96 I105 L111G88-V92 VanDerWaalsContact O-CG2 3.27Å; G88-V92 WeakPolarHBondContact O-CG2 3.43Å; G88-V92 PolarHBondContact O-N 3.31Å; F89-V92 PolarHBondContact O-N 3.41Å; S90-V92 PolarHBondContact O-N 3.1Å; V92-D94 PolarHBondContact O-N 3.23Å; V92-L95 WeakPolarHBondContact O-CB 3.41Å; V92-L95 PolarHBondContact O-N 3.3Å; V92-L96 HydrophobicContact CG1-CD1 3.69Å; V92-L96 HydrophobicContact CG1-CG 4.31Å; V92-L96 WeakPolarHBondContact O-CB 3.43Å; V92-L96 VanDerWaalsContact O-CG 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 2.98Å; V92-I105 HydrophobicContact CG1-CD1 3.94Å; V92-I105 HydrophobicContact CG2-CD1 4.46Å; V92-I105 HydrophobicContact CG2-CG2 4.23Å; V92-L111 HydrophobicContact CG2-CD1 3.89Å; V92-L111 HydrophobicContact CG2-CD2 3.94Å
93T79.4Confident71.5Confident93 Ų9394 Ų9457%0.57146%0.455SS*.Hα-helixtrans-63.4-41.2178.6-59.10000111.6F89 S90 G97F89-T93 WeakPolarHBondContact O-CB 3.37Å; F89-T93 PolarHBondContact O-N 3.18Å; F89-T93 PolarHBondContact O-OG1 3.1Å; S90-T93 PolarHBondContact O-N 3.38Å; T93-G97 WeakPolarHBondContact O-CA 3.32Å; T93-G97 PolarHBondContact O-N 3.23Å
94D77Confident71.2Confident72 Ų7294.5 Ų94.539%0.38546%0.461SS..Hα-helixtrans-64.8-42.4174.7-80.6-36.5000111.4S90 A91 V92 L96 K98S90-D94 WeakPolarHBondContact O-CB 3.23Å; S90-D94 PolarHBondContact O-N 3.21Å; A91-D94 PolarHBondContact O-N 3.38Å; V92-D94 PolarHBondContact O-N 3.23Å; D94-L96 PolarHBondContact O-N 3.3Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 PolarHBondContact O-N 2.92Å
95L74.7Confident70.9Confident23 Ų2395.3 Ų95.312%0.1247%0.465CS..Hα-helixtrans-63.3-42.1179.4-16363.9000111.6A91 V92 L103 I105 D110A91-L95 WeakPolarHBondContact O-CB 3.38Å; A91-L95 PolarHBondContact O-N 3.42Å; V92-L95 WeakPolarHBondContact O-CB 3.41Å; V92-L95 PolarHBondContact O-N 3.3Å; L95-L103 HydrophobicContact CD1-CB 3.53Å; L95-L103 HydrophobicContact CD1-CD1 3.35Å; L95-L103 HydrophobicContact CD1-CG 4.04Å; L95-L103 HydrophobicContact CG-CB 4.06Å; L95-I105 HydrophobicContact CD2-CB 4.1Å; L95-I105 HydrophobicContact CD2-CD1 4.37Å; L95-I105 HydrophobicContact CD2-CG1 3.67Å; L95-I105 HydrophobicContact CD2-CG2 4.27Å; L95-D110 HydrophobicContact CD1-CB 4.46Å; L95-D110 HydrophobicContact CD2-CB 4.07Å
96L73.8Confident70.4Confident118 Ų11899.2 Ų99.262%0.61849%0.488SS*.Hα-helixtrans-77.5-39.1178.1-69175.5000112.8V92 D94 I105V92-L96 HydrophobicContact CG1-CD1 3.69Å; V92-L96 HydrophobicContact CG1-CG 4.31Å; V92-L96 WeakPolarHBondContact O-CB 3.43Å; V92-L96 VanDerWaalsContact O-CG 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 2.98Å; D94-L96 PolarHBondContact O-N 3.3Å; L96-I105 HydrophobicContact CD1-CD1 4.24Å; L96-I105 HydrophobicContact CD2-CD1 3.88Å; L96-I105 HydrophobicContact CG-CD1 3.95Å
97G71.8Confident69.8Low60 Ų60103.6 Ų103.662%0.61950%0.499SS*.Hα-helixtrans-84.6-41.9-171.300000114T93T93-G97 WeakPolarHBondContact O-CA 3.32Å; T93-G97 PolarHBondContact O-N 3.23Å
98K65.4Low69.5Low170 Ų170105.8 Ų105.874%0.73951%0.508SS*.Hα-helixtrans-96.9-17.3-173.6-76.9-178.1176.3165.40114.7D94D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 PolarHBondContact O-N 2.92Å
99K58.6Low69.1Low137 Ų137106.5 Ų106.560%0.59652%0.515SS*.  trans-125.471-175.9-72.9-171.8175.6-179.70112.2N101 L103K99-N101 PolarHBondContact O-N 3.48Å; K99-L103 HydrophobicContact CB-CD1 4Å; K99-L103 HydrophobicContact CD-CD1 3.24Å; K99-L103 HydrophobicContact CD-CG 4.4Å; K99-L103 HydrophobicContact CG-CD1 4.24Å
100R51.7Low68.6Low232 Ų232101.2 Ų101.288%0.87549%0.493SS*.THydrogen-bonded Turntrans-54.294.7149-72.5-176.5174.5169.8-1107.9
101N57.8Low68.2Low150 Ų150100.6 Ų100.680%0.80249%0.486SS*.THydrogen-bonded Turn172-16.5123-84-15.4000116.1K99K99-N101 PolarHBondContact O-N 3.48Å
102R61.8Low68.1Low213 Ų213108.6 Ų108.680%0.80452%0.515SS*.THydrogen-bonded Turntrans-151.3-2.1-172.5-72-167.9141.5-173.5-8.4118.7
103L60.8Low67.8Low61 Ų61111.4 Ų111.432%0.31953%0.528SS..  trans-89.6123.9-173.7-63.1176.7000110.8L95 K99 D110L95-L103 HydrophobicContact CD1-CB 3.53Å; L95-L103 HydrophobicContact CD1-CD1 3.35Å; L95-L103 HydrophobicContact CD1-CG 4.04Å; L95-L103 HydrophobicContact CG-CB 4.06Å; K99-L103 HydrophobicContact CB-CD1 4Å; K99-L103 HydrophobicContact CD-CD1 3.24Å; K99-L103 HydrophobicContact CD-CG 4.4Å; K99-L103 HydrophobicContact CG-CD1 4.24Å; L103-D110 VanDerWaalsContact CA-OD2 3.31Å; L103-D110 WeakPolarHBondContact CA-OD2 3.35Å; L103-D110 WeakPolarHBondContact CB-OD2 3.21Å; L103-D110 WeakPolarHBondContact CD2-OD2 3.36Å
104Q65.8Low67.5Low95 Ų95112 Ų11244%0.44453%0.527SS..  trans-110.8102.1-177.7-69.4-173.95.700108.3V106 R107 R108 D110Q104-V106 VanDerWaalsContact C-N 3.28Å; Q104-V106 PolarHBondContact O-N 3.25Å; Q104-V106 VanDerWaalsContact O-N 3.13Å; Q104-R107 HydrophobicContact CB-CB 4.06Å; Q104-R108 PolarHBondContact O-N 3.38Å; Q104-D110 PolarHBondContact N-OD2 2.89Å
105I65Low67.2Low39 Ų39110.4 Ų110.420%0.252%0.518CS..THydrogen-bonded Turntrans-42.8-52.7-174.2-44.6-163.7000112.5V92 L95 L96 L111V92-I105 HydrophobicContact CG1-CD1 3.94Å; V92-I105 HydrophobicContact CG2-CD1 4.46Å; V92-I105 HydrophobicContact CG2-CG2 4.23Å; L95-I105 HydrophobicContact CD2-CB 4.1Å; L95-I105 HydrophobicContact CD2-CD1 4.37Å; L95-I105 HydrophobicContact CD2-CG1 3.67Å; L95-I105 HydrophobicContact CD2-CG2 4.27Å; L96-I105 HydrophobicContact CD1-CD1 4.24Å; L96-I105 HydrophobicContact CD2-CD1 3.88Å; L96-I105 HydrophobicContact CG-CD1 3.95Å; I105-L111 HydrophobicContact CG2-CB 3.85Å; I105-L111 HydrophobicContact CG2-CD2 4.04Å; I105-L111 HydrophobicContact CG2-CG 4.49Å
106V62.5Low67.1Low132 Ų132111.4 Ų111.480%0.853%0.526SS*.THydrogen-bonded Turntrans-93.8-49.4-173.4-177.40000111.6Q104 R108 G109Q104-V106 VanDerWaalsContact C-N 3.28Å; Q104-V106 PolarHBondContact O-N 3.25Å; Q104-V106 VanDerWaalsContact O-N 3.13Å; V106-R108 PolarHBondContact O-N 3.12Å; V106-G109 PolarHBondContact O-N 3.03Å
107R66.8Low66.9Low219 Ų219110.2 Ų110.283%0.82652%0.523SS*.THydrogen-bonded Turntrans-66.8-35-169.5-81.4-172.9172.9-164.32.3114.1Q104Q104-R107 HydrophobicContact CB-CB 4.06Å
108R70.1Confident67.1Low170 Ų170111.7 Ų111.764%0.64252%0.516SS*.THydrogen-bonded Turntrans-93.5-12.6175.7-86.2-174.5166.7-169.9-6.1113.6Q104 V106 D110Q104-R108 PolarHBondContact O-N 3.38Å; V106-R108 PolarHBondContact O-N 3.12Å; R108-D110 VanDerWaalsContact C-N 3.29Å; R108-D110 WeakPolarHBondContact CB-OD1 3.18Å
109G69.6Low67.6Low23 Ų23112 Ų11224%0.23752%0.52CS..  trans71.823.3-171.800000113.4V106 L111 R112 L113V106-G109 PolarHBondContact O-N 3.03Å; G109-L111 PolarHBondContact O-N 3.44Å; G109-R112 WeakPolarHBondContact O-CA 3.42Å; G109-R112 WeakPolarHBondContact O-CB 3.39Å; G109-R112 PolarHBondContact O-N 3.38Å; G109-L113 PolarHBondContact O-N 3.43Å
110D71.6Confident68.2Low25 Ų25109.6 Ų109.613%0.13452%0.518CS..Hα-helixtrans-56.3-37.9-178.8-65.8-25.2000111.5L95 L103 Q104 R108 L113 L114L95-D110 HydrophobicContact CD1-CB 4.46Å; L95-D110 HydrophobicContact CD2-CB 4.07Å; L103-D110 VanDerWaalsContact CA-OD2 3.31Å; L103-D110 WeakPolarHBondContact CA-OD2 3.35Å; L103-D110 WeakPolarHBondContact CB-OD2 3.21Å; L103-D110 WeakPolarHBondContact CD2-OD2 3.36Å; Q104-D110 PolarHBondContact N-OD2 2.89Å; R108-D110 VanDerWaalsContact C-N 3.29Å; R108-D110 WeakPolarHBondContact CB-OD1 3.18Å; D110-L113 PolarHBondContact O-N 2.89Å; D110-L114 PolarHBondContact O-N 3.36Å
111L72.3Confident69.6Low42 Ų42103 Ų10322%0.2250%0.5CS..Hα-helixtrans-64.5-41.8175.1-176.961.8000111.7A91 V92 I105 G109 L114 L115A91-L111 HydrophobicContact CB-CD1 3.53Å; V92-L111 HydrophobicContact CG2-CD1 3.89Å; V92-L111 HydrophobicContact CG2-CD2 3.94Å; I105-L111 HydrophobicContact CG2-CB 3.85Å; I105-L111 HydrophobicContact CG2-CD2 4.04Å; I105-L111 HydrophobicContact CG2-CG 4.49Å; G109-L111 PolarHBondContact O-N 3.44Å; L111-L114 PolarHBondContact O-N 2.88Å; L111-L115 HydrophobicContact CD1-CD1 3.75Å; L111-L115 HydrophobicContact CD1-CG 3.95Å; L111-L115 HydrophobicContact CD2-CD1 4.38Å; L111-L115 HydrophobicContact CG-CD1 3.75Å; L111-L115 HydrophobicContact CG-CG 4.27Å; L111-L115 WeakPolarHBondContact O-CB 3.08Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.27Å
112R75.1Confident70.7Confident174 Ų17499.6 Ų99.666%0.65749%0.485SS*.Hα-helixtrans-64.3-44.4178.5-166.7178.489.71686.1110.5G109 L114 L115 T116G109-R112 WeakPolarHBondContact O-CA 3.42Å; G109-R112 WeakPolarHBondContact O-CB 3.39Å; G109-R112 PolarHBondContact O-N 3.38Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 3.34Å; R112-L115 PolarHBondContact O-N 2.95Å; R112-T116 HydrophobicContact CG-CG2 4.11Å; R112-T116 VanDerWaalsContact O-CB 3.32Å; R112-T116 WeakPolarHBondContact O-CB 3.42Å; R112-T116 WeakPolarHBondContact O-CG2 3.33Å; R112-T116 PolarHBondContact O-N 3.01Å; R112-T116 PolarHBondContact O-OG1 3.31Å
113L73.4Confident71.8Confident92 Ų9295.6 Ų95.648%0.48248%0.48SS..Hα-helixtrans-60.4-40.1175.3-71.1171.5000112G109 D110G109-L113 PolarHBondContact O-N 3.43Å; D110-L113 PolarHBondContact O-N 2.89Å
114L71.8Confident72.9Confident105 Ų10599 Ų9955%0.5549%0.492SS..Hα-helixtrans-71.3-33.8178.2-158.675.7000113.4A91 D110 L111 R112A91-L114 HydrophobicContact CB-CD2 3.43Å; A91-L114 VanDerWaalsContact CB-CD2 3.43Å; D110-L114 PolarHBondContact O-N 3.36Å; L111-L114 PolarHBondContact O-N 2.88Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 3.34Å
115L72Confident73.5Confident39 Ų3999.3 Ų99.320%0.20450%0.496CS..Hα-helixtrans-87.8-4.9-178.9-66.1179.7000113.7Y5 R87 A91 L111 R112Y5-L115 VanDerWaalsContact CZ-O 3.26Å; Y5-L115 PolarHBondContact OH-O 2.9Å; R87-L115 HydrophobicContact CB-CD2 4.31Å; A91-L115 HydrophobicContact CB-CD2 4.21Å; L111-L115 HydrophobicContact CD1-CD1 3.75Å; L111-L115 HydrophobicContact CD1-CG 3.95Å; L111-L115 HydrophobicContact CD2-CD1 4.38Å; L111-L115 HydrophobicContact CG-CD1 3.75Å; L111-L115 HydrophobicContact CG-CG 4.27Å; L111-L115 WeakPolarHBondContact O-CB 3.08Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.27Å; R112-L115 PolarHBondContact O-N 2.95Å
116T71.9Confident74.2Confident44 Ų44102.9 Ų102.927%0.2752%0.515SS..SBendtrans-115.4155.3179.757.60000110.5R112 I118R112-T116 HydrophobicContact CG-CG2 4.11Å; R112-T116 VanDerWaalsContact O-CB 3.32Å; R112-T116 WeakPolarHBondContact O-CB 3.42Å; R112-T116 WeakPolarHBondContact O-CG2 3.33Å; R112-T116 PolarHBondContact O-N 3.01Å; R112-T116 PolarHBondContact O-OG1 3.31Å; T116-I118 HydrophobicContact CG2-CD1 4.37Å; T116-I118 PolarHBondContact O-N 2.83Å
117T70.3Confident75.2Confident93 Ų93100.5 Ų100.557%0.57151%0.509SS*.  trans-84.419.3171.443.30000112.3R4 Y5 E119R4-T117 HydrophobicContact CB-CG2 4.49Å; Y5-T117 HydrophobicContact CE2-CG2 4.19Å; T117-E119 PolarHBondContact O-N 2.77Å
118I74.4Confident75.8Confident90 Ų9096.4 Ų96.446%0.46250%0.503SS..  trans-66.5111178-63.3171.2000107.6T116T116-I118 HydrophobicContact CG2-CD1 4.37Å; T116-I118 PolarHBondContact O-N 2.83Å
119E76.4Confident75.9Confident176 Ų17695.5 Ų95.582%0.82251%0.506SS*.  trans-73128.2171.2-70.5-174161.900108.9T117 D121T117-E119 PolarHBondContact O-N 2.77Å; E119-D121 PolarHBondContact O-N 3.2Å
120P71.5Confident75.6Confident87 Ų87102.5 Ų102.557%0.56553%0.532SS*.  trans-67.9131.3175.227.5-31.7000109.4V122 L125P120-V122 VanDerWaalsContact C-N 3.31Å; P120-V122 HydrophobicContact CG-CG2 4.47Å; P120-V122 WeakPolarHBondContact O-CG2 3.29Å; P120-V122 PolarHBondContact O-N 3.41Å; P120-L125 HydrophobicContact CB-CD1 4.49Å
121D81.8Confident75.3Confident93 Ų93107.3 Ų107.350%0.49756%0.563SS.*  trans-72.787.8171.2-176.8-11.9000109.2E119 D123 K124 L125E119-D121 PolarHBondContact O-N 3.2Å; D121-D123 VanDerWaalsContact C-N 3.3Å; D121-D123 PolarHBondContact O-N 3.45Å; D121-D123 PolarHBondContact OD1-N 3.11Å; D121-K124 HydrophobicContact CB-CB 4.11Å; D121-K124 PolarHBondContact O-N 2.61Å; D121-K124 WeakPolarHBondContact OD1-CB 3.36Å; D121-K124 PolarHBondContact OD1-N 3.47Å; D121-K124 VanDerWaalsContact OD2-CB 3.31Å; D121-K124 WeakPolarHBondContact OD2-CB 3.42Å; D121-L125 WeakPolarHBondContact O-CG 3.44Å; D121-L125 PolarHBondContact O-N 3.02Å; D121-L125 VanDerWaalsContact O-N 3.14Å
122V80.8Confident75Confident80 Ų80114 Ų11449%0.48559%0.593SS.*Hα-helixtrans-65.1-36.6-175.3-176.70000111P120 K124 L125 L126P120-V122 VanDerWaalsContact C-N 3.31Å; P120-V122 HydrophobicContact CG-CG2 4.47Å; P120-V122 WeakPolarHBondContact O-CG2 3.29Å; P120-V122 PolarHBondContact O-N 3.41Å; V122-K124 PolarHBondContact O-N 3.49Å; V122-L125 WeakPolarHBondContact O-CB 3.21Å; V122-L125 PolarHBondContact O-N 3.3Å; V122-L125 VanDerWaalsContact O-N 3.15Å; V122-L126 HydrophobicContact CG1-CD1 4.06Å; V122-L126 HydrophobicContact CG1-CG 4.23Å; V122-L126 WeakPolarHBondContact O-CG 3.35Å; V122-L126 PolarHBondContact O-N 3.27Å
123D84.8Confident74.1Confident128 Ų128110.9 Ų110.968%0.68460%0.595SS**Hα-helixtrans-64-44.1-179.6-65.1-38.5000111D121 L125 L126 A127D121-D123 VanDerWaalsContact C-N 3.3Å; D121-D123 PolarHBondContact O-N 3.45Å; D121-D123 PolarHBondContact OD1-N 3.11Å; D123-L125 VanDerWaalsContact C-N 3.32Å; D123-L125 PolarHBondContact O-N 3.21Å; D123-L126 PolarHBondContact O-N 2.76Å; D123-A127 WeakPolarHBondContact O-CB 3.45Å; D123-A127 PolarHBondContact O-N 3.3Å
124K84Confident74Confident133 Ų133112.2 Ų112.258%0.57861%0.612SS**Hα-helixtrans-63.4-37.3173.5-174.3175.9-177.2175.40112.5D121 V122 L128D121-K124 HydrophobicContact CB-CB 4.11Å; D121-K124 PolarHBondContact O-N 2.61Å; D121-K124 WeakPolarHBondContact OD1-CB 3.36Å; D121-K124 PolarHBondContact OD1-N 3.47Å; D121-K124 VanDerWaalsContact OD2-CB 3.31Å; D121-K124 WeakPolarHBondContact OD2-CB 3.42Å; V122-K124 PolarHBondContact O-N 3.49Å; K124-L128 HydrophobicContact CG-CD1 4.39Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.11Å; K124-L128 VanDerWaalsContact O-N 3.15Å
125L77.3Confident73Confident102 Ų102119.3 Ų119.353%0.53464%0.642SS.*Hα-helixtrans-65.8-41.7176.2-72.4172.7000111.8P120 D121 V122 D123 L128 H129P120-L125 HydrophobicContact CB-CD1 4.49Å; D121-L125 WeakPolarHBondContact O-CG 3.44Å; D121-L125 PolarHBondContact O-N 3.02Å; D121-L125 VanDerWaalsContact O-N 3.14Å; V122-L125 WeakPolarHBondContact O-CB 3.21Å; V122-L125 PolarHBondContact O-N 3.3Å; V122-L125 VanDerWaalsContact O-N 3.15Å; D123-L125 VanDerWaalsContact C-N 3.32Å; D123-L125 PolarHBondContact O-N 3.21Å; L125-L128 PolarHBondContact O-N 3.25Å; L125-H129 PolarHBondContact O-N 3.4Å; L125-H129 VanDerWaalsContact O-N 3.09Å
126L80.7Confident73.1Confident114 Ų114123.4 Ų123.460%0.59766%0.664SS**Hα-helixtrans-65.9-42.2176.9-70.6173000111.5V122 D123 L128 H129V122-L126 HydrophobicContact CG1-CD1 4.06Å; V122-L126 HydrophobicContact CG1-CG 4.23Å; V122-L126 WeakPolarHBondContact O-CG 3.35Å; V122-L126 PolarHBondContact O-N 3.27Å; D123-L126 PolarHBondContact O-N 2.76Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.72Å; L126-H129 PolarHBondContact O-N 3.01Å; L126-H129 VanDerWaalsContact O-N 3.14Å
127A82.3Confident73.2Confident82 Ų82127.5 Ų127.568%0.67869%0.685SS**Hα-helixtrans-62.6-35177.300000113.1D123D123-A127 WeakPolarHBondContact O-CB 3.45Å; D123-A127 PolarHBondContact O-N 3.3Å
128L80.7Confident73.3Confident132 Ų132129.4 Ų129.469%0.69169%0.691SS**Hα-helixtrans-76.4-25.8175.4-75.6168.5000113.1K124 L125 L126 Q130K124-L128 HydrophobicContact CG-CD1 4.39Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.11Å; K124-L128 VanDerWaalsContact O-N 3.15Å; L125-L128 PolarHBondContact O-N 3.25Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.72Å; L128-Q130 PolarHBondContact O-N 3.32Å
129H70.7Confident73.3Confident152 Ų152131.8 Ų131.870%0.70470%0.704SS**  trans-77.666.3176.7-137.4116.5000109.4L125 L126 T131L125-H129 PolarHBondContact O-N 3.4Å; L125-H129 VanDerWaalsContact O-N 3.09Å; L126-H129 PolarHBondContact O-N 3.01Å; L126-H129 VanDerWaalsContact O-N 3.14Å; H129-T131 PolarHBondContact O-N 2.91Å
130Q64.9Low73.1Confident169 Ų169129 Ų12979%0.7970%0.697SS**  trans-55.9117.4166.1-82.8-157.5-2200107.9L128 Q132L128-Q130 PolarHBondContact O-N 3.32Å; Q130-Q132 PolarHBondContact O-N 3.45Å
131T64.7Low73.2Confident126 Ų126131.8 Ų131.877%0.77371%0.706SS**  trans-52.7108168.644.30000106.9H129 P133H129-T131 PolarHBondContact O-N 2.91Å; T131-P133 WeakPolarHBondContact O-CD 3.3Å; T131-P133 VanDerWaalsContact O-N 3.1Å
132Q64.6Low72.6Confident183 Ų183134.6 Ų134.686%0.85572%0.721SS**  trans-55.5123.3168.8-73.7-163.7-33.400106.4Q130 S134Q130-Q132 PolarHBondContact O-N 3.45Å; Q132-S134 PolarHBondContact O-N 2.62Å
133P57.8Low71.9Confident109 Ų109138.8 Ų138.871%0.70874%0.739SS**  trans-60.8116.6178.622.9-29.3000106.9T131 H135T131-P133 WeakPolarHBondContact O-CD 3.3Å; T131-P133 VanDerWaalsContact O-N 3.1Å; P133-H135 PolarHBondContact O-N 2.77Å; P133-H135 VanDerWaalsContact O-N 3.12Å
134S70.3Confident70.8Confident119 Ų119139.7 Ų139.783%0.83274%0.743SS**  trans-59.9113.8167.947.60000107.2Q132Q132-S134 PolarHBondContact O-N 2.62Å
135H52Low69.7Low255 Ų255140.3 Ų140.3100%1.18176%0.758SS**  trans-70.50166.4-93.8-78000111P133P133-H135 PolarHBondContact O-N 2.77Å; P133-H135 VanDerWaalsContact O-N 3.12Å

Retrieved 135 of 135 residues in 64.8 ms (Link to these results)

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